data_Remediated_restraints_file_for_PDB_entry_2dx3 # This BMRB archive file contains, for PDB entry 2dx3: # # - 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 as part of the wwPDB at the BioMagResBank (BMRB) in # collaboration with the PDBe (formerly MSD) group at the European # Bioinformatics Institute (EBI) and the CMBI/IMM group at the Radboud # University of Nijmegen. # # Several software packages were used to produce this file: # # - Wattos (BMRB and CMBI/IMM). # - FormatConverter and NMRStarExport (PDBe). # - CCPN framework (http://www.ccpn.ac.uk/). # # More information about this process can be found in the references below. # Please cite the original reference for this PDB entry. # # JF Doreleijers, A Nederveen, W Vranken, J Lin, AM Bonvin, R Kaptein, JL # Markley, and EL Ulrich (2005). BioMagResBank databases DOCR and FRED # containing converted and filtered sets of experimental NMR restraints and # coordinates from over 500 protein PDB structures. J. Biomol. NMR 32, 1-12. # # WF Vranken, W Boucher, TJ Stevens, RH Fogh, A Pajon, M Llinas, EL Ulrich, JL # Markley, J Ionides, ED Laue (2005). The CCPN data model for NMR spectroscopy: # development of a software pipeline. Proteins 59, 687-696. # # JF Doreleijers, WF Vranken, C Schulte, J Lin, JR Wedell, CJ Penkett, GW Vuister, # G Vriend, JL Markley, and EL Ulrich (2009). The NMR Restraints Grid at BMRB for # 5,266 Protein and Nucleic Acid PDB Entries. J Biomol. NMR 45, 389-396. ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID rr_2dx3 _Entry.Title 'wwPDB remediated NMR restraints for PDB entry 2dx3' _Entry.Version_type original _Entry.NMR_STAR_version 3.1.0.8 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details 'Contains the remediated restraint lists and coordinates for PDB entry 2dx3' _Entry.PDB_coordinate_file_version 3.20 loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2dx3 'Master copy' rr_2dx3 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID rr_2dx3 _Assembly.ID 1 _Assembly.Name 2dx3 _Assembly.Number_of_components 1 _Assembly.Organic_ligands 0 _Assembly.Metal_ions 0 _Assembly.Non_standard_bonds no _Assembly.Paramagnetic no _Assembly.Thiol_state 'not present' _Assembly.Molecular_mass 2116.4468 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 'DP5 conformation1' 1 $DP5_conformation1 A . no . . . . . . rr_2dx3 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_DP5_conformation1 _Entity.Sf_category entity _Entity.Sf_framecode DP5_conformation1 _Entity.Entry_ID rr_2dx3 _Entity.ID 1 _Entity.Name DP5_conformation1 _Entity.Type polymer _Entity.Polymer_type polypeptide(L) _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code INYWLAHAKAGYIVHWTA _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 18 _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Parent_entity_ID 1 _Entity.Formula_weight 2116.4468 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 . ILE . rr_2dx3 1 2 . ASN . rr_2dx3 1 3 . TYR . rr_2dx3 1 4 . TRP . rr_2dx3 1 5 . LEU . rr_2dx3 1 6 . ALA . rr_2dx3 1 7 . HIS . rr_2dx3 1 8 . ALA . rr_2dx3 1 9 . LYS . rr_2dx3 1 10 . ALA . rr_2dx3 1 11 . GLY . rr_2dx3 1 12 . TYR . rr_2dx3 1 13 . ILE . rr_2dx3 1 14 . VAL . rr_2dx3 1 15 . HIS . rr_2dx3 1 16 . TRP . rr_2dx3 1 17 . THR . rr_2dx3 1 18 . ALA . rr_2dx3 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 . ILE 1 1 rr_2dx3 1 . ASN 2 2 rr_2dx3 1 . TYR 3 3 rr_2dx3 1 . TRP 4 4 rr_2dx3 1 . LEU 5 5 rr_2dx3 1 . ALA 6 6 rr_2dx3 1 . HIS 7 7 rr_2dx3 1 . ALA 8 8 rr_2dx3 1 . LYS 9 9 rr_2dx3 1 . ALA 10 10 rr_2dx3 1 . GLY 11 11 rr_2dx3 1 . TYR 12 12 rr_2dx3 1 . ILE 13 13 rr_2dx3 1 . VAL 14 14 rr_2dx3 1 . HIS 15 15 rr_2dx3 1 . TRP 16 16 rr_2dx3 1 . THR 17 17 rr_2dx3 1 . ALA 18 18 rr_2dx3 1 stop_ save_ ############################## # Structure determinations # ############################## ########################## # Conformer statistics # ########################## save_conformer_statistics _Conformer_stat_list.Sf_category conformer_statistics _Conformer_stat_list.Sf_framecode conformer_statistics _Conformer_stat_list.Entry_ID rr_2dx3 _Conformer_stat_list.ID 1 _Conformer_stat_list.Conf_family_coord_set_ID 1 _Conformer_stat_list.Conf_family_coord_set_label $Original_constraints_and_structures _Conformer_stat_list.Conformer_submitted_total_num 10 save_ ##################################### # Conformer family coordinate set # ##################################### 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_2dx3 _Conformer_family_coord_set.ID 1 loop_ _Conformer_family_refinement.Refine_method _Conformer_family_refinement.Refine_details _Conformer_family_refinement.Software_ID _Conformer_family_refinement.Software_label _Conformer_family_refinement.Entry_ID _Conformer_family_refinement.Conformer_family_coord_set_ID 1 . . . rr_2dx3 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_2dx3 1 stop_ loop_ _Atom_site.Assembly_ID _Atom_site.Model_ID _Atom_site.Model_site_ID _Atom_site.ID _Atom_site.Assembly_atom_ID _Atom_site.Label_entity_assembly_ID _Atom_site.Label_entity_ID _Atom_site.Label_comp_index_ID _Atom_site.Label_comp_ID _Atom_site.Label_atom_ID _Atom_site.Type_symbol _Atom_site.Cartn_x _Atom_site.Cartn_y _Atom_site.Cartn_z _Atom_site.Cartn_x_esd _Atom_site.Cartn_y_esd _Atom_site.Cartn_z_esd _Atom_site.Occupancy _Atom_site.Occupancy_esd _Atom_site.Uncertainty _Atom_site.Ordered_flag _Atom_site.Footnote_ID _Atom_site.PDBX_label_asym_ID _Atom_site.PDBX_label_seq_ID _Atom_site.PDBX_label_comp_ID _Atom_site.PDBX_label_atom_ID _Atom_site.PDBX_formal_charge _Atom_site.PDBX_label_entity_ID _Atom_site.PDB_record_ID _Atom_site.PDB_model_num _Atom_site.PDB_strand_ID _Atom_site.PDB_ins_code _Atom_site.PDB_residue_no _Atom_site.PDB_residue_name _Atom_site.PDB_atom_name _Atom_site.Auth_entity_assembly_ID _Atom_site.Auth_asym_ID _Atom_site.Auth_chain_ID _Atom_site.Auth_seq_ID _Atom_site.Auth_comp_ID _Atom_site.Auth_atom_ID _Atom_site.Auth_alt_ID _Atom_site.Auth_atom_name _Atom_site.Details _Atom_site.Entry_ID _Atom_site.Conformer_family_coord_set_ID . 1 . 1 . 1 1 1 ILE C C -5.826 -10.794 2.934 . . . 1.0 . . . . . . . . . . . . A . 1 ILE C . . . . . . . . . rr_2dx3 1 . 1 . 2 . 1 1 1 ILE CA C -5.336 -11.942 3.818 . . . 1.0 . . . . . . . . . . . . A . 1 ILE CA . . . . . . . . . rr_2dx3 1 . 1 . 3 . 1 1 1 ILE CB C -5.415 -13.314 3.145 . . . 1.0 . . . . . . . . . . . . A . 1 ILE CB . . . . . . . . . rr_2dx3 1 . 1 . 4 . 1 1 1 ILE CD1 C -5.073 -15.784 3.521 . . . 1.0 . . . . . . . . . . . . A . 1 ILE CD1 . . . . . . . . . rr_2dx3 1 . 1 . 5 . 1 1 1 ILE CG1 C -4.689 -14.375 3.975 . . . 1.0 . . . . . . . . . . . . A . 1 ILE CG1 . . . . . . . . . rr_2dx3 1 . 1 . 6 . 1 1 1 ILE CG2 C -4.891 -13.252 1.709 . . . 1.0 . . . . . . . . . . . . A . 1 ILE CG2 . . . . . . . . . rr_2dx3 1 . 1 . 7 . 1 1 1 ILE H1 H -5.525 -11.942 5.893 . . . 1.0 . . . . . . . . . . . . A . 1 ILE H1 . . . . . . . . . rr_2dx3 1 . 1 . 8 . 1 1 1 ILE HA H -4.290 -11.765 4.066 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HA . . . . . . . . . rr_2dx3 1 . 1 . 9 . 1 1 1 ILE HB H -6.464 -13.608 3.093 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HB . . . . . . . . . rr_2dx3 1 . 1 . 10 . 1 1 1 ILE HD11 H -4.188 -16.421 3.526 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HD11 . . . . . . . . . rr_2dx3 1 . 1 . 11 . 1 1 1 ILE HD12 H -5.820 -16.194 4.200 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HD12 . . . . . . . . . rr_2dx3 1 . 1 . 12 . 1 1 1 ILE HD13 H -5.483 -15.741 2.512 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HD13 . . . . . . . . . rr_2dx3 1 . 1 . 13 . 1 1 1 ILE HG12 H -3.612 -14.239 3.882 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HG12 . . . . . . . . . rr_2dx3 1 . 1 . 14 . 1 1 1 ILE HG13 H -4.936 -14.249 5.029 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HG13 . . . . . . . . . rr_2dx3 1 . 1 . 15 . 1 1 1 ILE HG21 H -4.802 -14.262 1.311 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HG21 . . . . . . . . . rr_2dx3 1 . 1 . 16 . 1 1 1 ILE HG22 H -5.585 -12.678 1.094 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HG22 . . . . . . . . . rr_2dx3 1 . 1 . 17 . 1 1 1 ILE HG23 H -3.914 -12.770 1.700 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HG23 . . . . . . . . . rr_2dx3 1 . 1 . 18 . 1 1 1 ILE N N -6.084 -11.942 5.064 . . . 1.0 . . . . . . . . . . . . A . 1 ILE N . . . . . . . . . rr_2dx3 1 . 1 . 19 . 1 1 1 ILE O O -6.984 -10.389 3.022 . . . 1.0 . . . . . . . . . . . . A . 1 ILE O . . . . . . . . . rr_2dx3 1 . 1 . 20 . 1 1 2 ASN C C -3.966 -8.707 0.531 . . . 1.0 . . . . . . . . . . . . A . 2 ASN C . . . . . . . . . rr_2dx3 1 . 1 . 21 . 1 1 2 ASN CA C -5.246 -9.209 1.201 . . . 1.0 . . . . . . . . . . . . A . 2 ASN CA . . . . . . . . . rr_2dx3 1 . 1 . 22 . 1 1 2 ASN CB C -5.873 -8.039 1.961 . . . 1.0 . . . . . . . . . . . . A . 2 ASN CB . . . . . . . . . rr_2dx3 1 . 1 . 23 . 1 1 2 ASN CG C -7.400 -8.089 1.884 . . . 1.0 . . . . . . . . . . . . A . 2 ASN CG . . . . . . . . . rr_2dx3 1 . 1 . 24 . 1 1 2 ASN H H -3.981 -10.638 2.035 . . . 1.0 . . . . . . . . . . . . A . 2 ASN H . . . . . . . . . rr_2dx3 1 . 1 . 25 . 1 1 2 ASN HA H -5.955 -9.628 0.486 . . . 1.0 . . . . . . . . . . . . A . 2 ASN HA . . . . . . . . . rr_2dx3 1 . 1 . 26 . 1 1 2 ASN HB2 H -5.556 -8.066 3.004 . . . 1.0 . . . . . . . . . . . . A . 2 ASN HB2 . . . . . . . . . rr_2dx3 1 . 1 . 27 . 1 1 2 ASN HB3 H -5.515 -7.097 1.545 . . . 1.0 . . . . . . . . . . . . A . 2 ASN HB3 . . . . . . . . . rr_2dx3 1 . 1 . 28 . 1 1 2 ASN HD21 H -7.245 -8.300 -0.123 . . . 1.0 . . . . . . . . . . . . A . 2 ASN HD21 . . . . . . . . . rr_2dx3 1 . 1 . 29 . 1 1 2 ASN HD22 H -8.862 -8.278 0.496 . . . 1.0 . . . . . . . . . . . . A . 2 ASN HD22 . . . . . . . . . rr_2dx3 1 . 1 . 30 . 1 1 2 ASN N N -4.921 -10.303 2.101 . . . 1.0 . . . . . . . . . . . . A . 2 ASN N . . . . . . . . . rr_2dx3 1 . 1 . 31 . 1 1 2 ASN ND2 N -7.875 -8.235 0.650 . . . 1.0 . . . . . . . . . . . . A . 2 ASN ND2 . . . . . . . . . rr_2dx3 1 . 1 . 32 . 1 1 2 ASN O O -2.894 -8.734 1.134 . . . 1.0 . . . . . . . . . . . . A . 2 ASN O . . . . . . . . . rr_2dx3 1 . 1 . 33 . 1 1 2 ASN OD1 O -8.101 -8.001 2.879 . . . 1.0 . . . . . . . . . . . . A . 2 ASN OD1 . . . . . . . . . rr_2dx3 1 . 1 . 34 . 1 1 3 TYR C C -3.148 -6.259 -1.753 . . . 1.0 . . . . . . . . . . . . A . 3 TYR C . . . . . . . . . rr_2dx3 1 . 1 . 35 . 1 1 3 TYR CA C -2.989 -7.754 -1.466 . . . 1.0 . . . . . . . . . . . . A . 3 TYR CA . . . . . . . . . rr_2dx3 1 . 1 . 36 . 1 1 3 TYR CB C -2.992 -8.519 -2.790 . . . 1.0 . . . . . . . . . . . . A . 3 TYR CB . . . . . . . . . rr_2dx3 1 . 1 . 37 . 1 1 3 TYR CD1 C -1.533 -7.198 -4.366 . . . 1.0 . . . . . . . . . . . . A . 3 TYR CD1 . . . . . . . . . rr_2dx3 1 . 1 . 38 . 1 1 3 TYR CD2 C -0.747 -9.324 -3.607 . . . 1.0 . . . . . . . . . . . . A . 3 TYR CD2 . . . . . . . . . rr_2dx3 1 . 1 . 39 . 1 1 3 TYR CE1 C -0.332 -7.031 -5.142 . . . 1.0 . . . . . . . . . . . . A . 3 TYR CE1 . . . . . . . . . rr_2dx3 1 . 1 . 40 . 1 1 3 TYR CE2 C 0.455 -9.156 -4.383 . . . 1.0 . . . . . . . . . . . . A . 3 TYR CE2 . . . . . . . . . rr_2dx3 1 . 1 . 41 . 1 1 3 TYR CG C -1.716 -8.341 -3.615 . . . 1.0 . . . . . . . . . . . . A . 3 TYR CG . . . . . . . . . rr_2dx3 1 . 1 . 42 . 1 1 3 TYR CZ C 0.603 -8.018 -5.113 . . . 1.0 . . . . . . . . . . . . A . 3 TYR CZ . . . . . . . . . rr_2dx3 1 . 1 . 43 . 1 1 3 TYR H H -4.995 -8.243 -1.190 . . . 1.0 . . . . . . . . . . . . A . 3 TYR H . . . . . . . . . rr_2dx3 1 . 1 . 44 . 1 1 3 TYR HA H -2.089 -7.908 -0.871 . . . 1.0 . . . . . . . . . . . . A . 3 TYR HA . . . . . . . . . rr_2dx3 1 . 1 . 45 . 1 1 3 TYR HB2 H -3.135 -9.580 -2.585 . . . 1.0 . . . . . . . . . . . . A . 3 TYR HB2 . . . . . . . . . rr_2dx3 1 . 1 . 46 . 1 1 3 TYR HB3 H -3.845 -8.192 -3.385 . . . 1.0 . . . . . . . . . . . . A . 3 TYR HB3 . . . . . . . . . rr_2dx3 1 . 1 . 47 . 1 1 3 TYR HD1 H -2.299 -6.422 -4.372 . . . 1.0 . . . . . . . . . . . . A . 3 TYR HD1 . . . . . . . . . rr_2dx3 1 . 1 . 48 . 1 1 3 TYR HD2 H -0.891 -10.227 -3.014 . . . 1.0 . . . . . . . . . . . . A . 3 TYR HD2 . . . . . . . . . rr_2dx3 1 . 1 . 49 . 1 1 3 TYR HE1 H -0.175 -6.133 -5.740 . . . 1.0 . . . . . . . . . . . . A . 3 TYR HE1 . . . . . . . . . rr_2dx3 1 . 1 . 50 . 1 1 3 TYR HE2 H 1.228 -9.925 -4.386 . . . 1.0 . . . . . . . . . . . . A . 3 TYR HE2 . . . . . . . . . rr_2dx3 1 . 1 . 51 . 1 1 3 TYR HH H 2.072 -6.921 -5.760 . . . 1.0 . . . . . . . . . . . . A . 3 TYR HH . . . . . . . . . rr_2dx3 1 . 1 . 52 . 1 1 3 TYR N N -4.120 -8.261 -0.707 . . . 1.0 . . . . . . . . . . . . A . 3 TYR N . . . . . . . . . rr_2dx3 1 . 1 . 53 . 1 1 3 TYR O O -2.169 -5.570 -2.034 . . . 1.0 . . . . . . . . . . . . A . 3 TYR O . . . . . . . . . rr_2dx3 1 . 1 . 54 . 1 1 3 TYR OH O 1.737 -7.860 -5.846 . . . 1.0 . . . . . . . . . . . . A . 3 TYR OH . . . . . . . . . rr_2dx3 1 . 1 . 55 . 1 1 4 TRP C C -4.637 -3.664 -0.584 . . . 1.0 . . . . . . . . . . . . A . 4 TRP C . . . . . . . . . rr_2dx3 1 . 1 . 56 . 1 1 4 TRP CA C -4.689 -4.403 -1.923 . . . 1.0 . . . . . . . . . . . . A . 4 TRP CA . . . . . . . . . rr_2dx3 1 . 1 . 57 . 1 1 4 TRP CB C -6.032 -4.249 -2.639 . . . 1.0 . . . . . . . . . . . . A . 4 TRP CB . . . . . . . . . rr_2dx3 1 . 1 . 58 . 1 1 4 TRP CD1 C -6.751 -5.445 -4.810 . . . 1.0 . . . . . . . . . . . . A . 4 TRP CD1 . . . . . . . . . rr_2dx3 1 . 1 . 59 . 1 1 4 TRP CD2 C -5.084 -4.018 -5.109 . . . 1.0 . . . . . . . . . . . . A . 4 TRP CD2 . . . . . . . . . rr_2dx3 1 . 1 . 60 . 1 1 4 TRP CE2 C -5.368 -4.583 -6.335 . . . 1.0 . . . . . . . . . . . . A . 4 TRP CE2 . . . . . . . . . rr_2dx3 1 . 1 . 61 . 1 1 4 TRP CE3 C -4.064 -3.061 -4.962 . . . 1.0 . . . . . . . . . . . . A . 4 TRP CE3 . . . . . . . . . rr_2dx3 1 . 1 . 62 . 1 1 4 TRP CG C -5.983 -4.582 -4.132 . . . 1.0 . . . . . . . . . . . . A . 4 TRP CG . . . . . . . . . rr_2dx3 1 . 1 . 63 . 1 1 4 TRP CH2 C -3.656 -3.306 -7.386 . . . 1.0 . . . . . . . . . . . . A . 4 TRP CH2 . . . . . . . . . rr_2dx3 1 . 1 . 64 . 1 1 4 TRP CZ2 C -4.677 -4.257 -7.509 . . . 1.0 . . . . . . . . . . . . A . 4 TRP CZ2 . . . . . . . . . rr_2dx3 1 . 1 . 65 . 1 1 4 TRP CZ3 C -3.383 -2.746 -6.144 . . . 1.0 . . . . . . . . . . . . A . 4 TRP CZ3 . . . . . . . . . rr_2dx3 1 . 1 . 66 . 1 1 4 TRP H H -5.180 -6.371 -1.446 . . . 1.0 . . . . . . . . . . . . A . 4 TRP H . . . . . . . . . rr_2dx3 1 . 1 . 67 . 1 1 4 TRP HA H -3.925 -4.013 -2.594 . . . 1.0 . . . . . . . . . . . . A . 4 TRP HA . . . . . . . . . rr_2dx3 1 . 1 . 68 . 1 1 4 TRP HB2 H -6.766 -4.895 -2.157 . . . 1.0 . . . . . . . . . . . . A . 4 TRP HB2 . . . . . . . . . rr_2dx3 1 . 1 . 69 . 1 1 4 TRP HB3 H -6.382 -3.224 -2.517 . . . 1.0 . . . . . . . . . . . . A . 4 TRP HB3 . . . . . . . . . rr_2dx3 1 . 1 . 70 . 1 1 4 TRP HD1 H -7.543 -6.045 -4.362 . . . 1.0 . . . . . . . . . . . . A . 4 TRP HD1 . . . . . . . . . rr_2dx3 1 . 1 . 71 . 1 1 4 TRP HE1 H -6.882 -6.095 -6.916 . . . 1.0 . . . . . . . . . . . . A . 4 TRP HE1 . . . . . . . . . rr_2dx3 1 . 1 . 72 . 1 1 4 TRP HE3 H -3.820 -2.600 -4.005 . . . 1.0 . . . . . . . . . . . . A . 4 TRP HE3 . . . . . . . . . rr_2dx3 1 . 1 . 73 . 1 1 4 TRP HH2 H -3.079 -3.007 -8.261 . . . 1.0 . . . . . . . . . . . . A . 4 TRP HH2 . . . . . . . . . rr_2dx3 1 . 1 . 74 . 1 1 4 TRP HZ2 H -4.920 -4.718 -8.466 . . . 1.0 . . . . . . . . . . . . A . 4 TRP HZ2 . . . . . . . . . rr_2dx3 1 . 1 . 75 . 1 1 4 TRP HZ3 H -2.581 -2.009 -6.086 . . . 1.0 . . . . . . . . . . . . A . 4 TRP HZ3 . . . . . . . . . rr_2dx3 1 . 1 . 76 . 1 1 4 TRP N N -4.389 -5.803 -1.674 . . . 1.0 . . . . . . . . . . . . A . 4 TRP N . . . . . . . . . rr_2dx3 1 . 1 . 77 . 1 1 4 TRP NE1 N -6.414 -5.479 -6.148 . . . 1.0 . . . . . . . . . . . . A . 4 TRP NE1 . . . . . . . . . rr_2dx3 1 . 1 . 78 . 1 1 4 TRP O O -4.247 -2.499 -0.529 . . . 1.0 . . . . . . . . . . . . A . 4 TRP O . . . . . . . . . rr_2dx3 1 . 1 . 79 . 1 1 5 LEU C C -3.708 -4.101 2.483 . . . 1.0 . . . . . . . . . . . . A . 5 LEU C . . . . . . . . . rr_2dx3 1 . 1 . 80 . 1 1 5 LEU CA C -5.041 -3.797 1.797 . . . 1.0 . . . . . . . . . . . . A . 5 LEU CA . . . . . . . . . rr_2dx3 1 . 1 . 81 . 1 1 5 LEU CB C -6.262 -4.278 2.584 . . . 1.0 . . . . . . . . . . . . A . 5 LEU CB . . . . . . . . . rr_2dx3 1 . 1 . 82 . 1 1 5 LEU CD1 C -7.545 -2.957 0.861 . . . 1.0 . . . . . . . . . . . . A . 5 LEU CD1 . . . . . . . . . rr_2dx3 1 . 1 . 83 . 1 1 5 LEU CD2 C -8.150 -5.376 1.324 . . . 1.0 . . . . . . . . . . . . A . 5 LEU CD2 . . . . . . . . . rr_2dx3 1 . 1 . 84 . 1 1 5 LEU CG C -7.620 -4.067 1.911 . . . 1.0 . . . . . . . . . . . . A . 5 LEU CG . . . . . . . . . rr_2dx3 1 . 1 . 85 . 1 1 5 LEU H H -5.354 -5.318 0.409 . . . 1.0 . . . . . . . . . . . . A . 5 LEU H . . . . . . . . . rr_2dx3 1 . 1 . 86 . 1 1 5 LEU HA H -5.134 -2.716 1.687 . . . 1.0 . . . . . . . . . . . . A . 5 LEU HA . . . . . . . . . rr_2dx3 1 . 1 . 87 . 1 1 5 LEU HB2 H -6.141 -5.342 2.788 . . . 1.0 . . . . . . . . . . . . A . 5 LEU HB2 . . . . . . . . . rr_2dx3 1 . 1 . 88 . 1 1 5 LEU HB3 H -6.272 -3.768 3.547 . . . 1.0 . . . . . . . . . . . . A . 5 LEU HB3 . . . . . . . . . rr_2dx3 1 . 1 . 89 . 1 1 5 LEU HD11 H -7.033 -3.330 -0.026 . . . 1.0 . . . . . . . . . . . . A . 5 LEU HD11 . . . . . . . . . rr_2dx3 1 . 1 . 90 . 1 1 5 LEU HD12 H -8.553 -2.641 0.593 . . . 1.0 . . . . . . . . . . . . A . 5 LEU HD12 . . . . . . . . . rr_2dx3 1 . 1 . 91 . 1 1 5 LEU HD13 H -6.994 -2.108 1.268 . . . 1.0 . . . . . . . . . . . . A . 5 LEU HD13 . . . . . . . . . rr_2dx3 1 . 1 . 92 . 1 1 5 LEU HD21 H -7.334 -5.915 0.841 . . . 1.0 . . . . . . . . . . . . A . 5 LEU HD21 . . . . . . . . . rr_2dx3 1 . 1 . 93 . 1 1 5 LEU HD22 H -8.568 -5.989 2.122 . . . 1.0 . . . . . . . . . . . . A . 5 LEU HD22 . . . . . . . . . rr_2dx3 1 . 1 . 94 . 1 1 5 LEU HD23 H -8.925 -5.157 0.589 . . . 1.0 . . . . . . . . . . . . A . 5 LEU HD23 . . . . . . . . . rr_2dx3 1 . 1 . 95 . 1 1 5 LEU HG H -8.331 -3.744 2.671 . . . 1.0 . . . . . . . . . . . . A . 5 LEU HG . . . . . . . . . rr_2dx3 1 . 1 . 96 . 1 1 5 LEU N N -5.037 -4.371 0.462 . . . 1.0 . . . . . . . . . . . . A . 5 LEU N . . . . . . . . . rr_2dx3 1 . 1 . 97 . 1 1 5 LEU O O -3.649 -4.226 3.705 . . . 1.0 . . . . . . . . . . . . A . 5 LEU O . . . . . . . . . rr_2dx3 1 . 1 . 98 . 1 1 6 ALA C C -0.301 -3.780 1.319 . . . 1.0 . . . . . . . . . . . . A . 6 ALA C . . . . . . . . . rr_2dx3 1 . 1 . 99 . 1 1 6 ALA CA C -1.342 -4.500 2.179 . . . 1.0 . . . . . . . . . . . . A . 6 ALA CA . . . . . . . . . rr_2dx3 1 . 1 . 100 . 1 1 6 ALA CB C -1.124 -6.015 2.212 . . . 1.0 . . . . . . . . . . . . A . 6 ALA CB . . . . . . . . . rr_2dx3 1 . 1 . 101 . 1 1 6 ALA H H -2.727 -4.110 0.673 . . . 1.0 . . . . . . . . . . . . A . 6 ALA H . . . . . . . . . rr_2dx3 1 . 1 . 102 . 1 1 6 ALA HA H -1.289 -4.116 3.197 . . . 1.0 . . . . . . . . . . . . A . 6 ALA HA . . . . . . . . . rr_2dx3 1 . 1 . 103 . 1 1 6 ALA HB1 H -0.592 -6.285 3.124 . . . 1.0 . . . . . . . . . . . . A . 6 ALA HB1 . . . . . . . . . rr_2dx3 1 . 1 . 104 . 1 1 6 ALA HB2 H -2.089 -6.521 2.190 . . . 1.0 . . . . . . . . . . . . A . 6 ALA HB2 . . . . . . . . . rr_2dx3 1 . 1 . 105 . 1 1 6 ALA HB3 H -0.536 -6.316 1.345 . . . 1.0 . . . . . . . . . . . . A . 6 ALA HB3 . . . . . . . . . rr_2dx3 1 . 1 . 106 . 1 1 6 ALA N N -2.671 -4.213 1.666 . . . 1.0 . . . . . . . . . . . . A . 6 ALA N . . . . . . . . . rr_2dx3 1 . 1 . 107 . 1 1 6 ALA O O 0.605 -3.136 1.844 . . . 1.0 . . . . . . . . . . . . A . 6 ALA O . . . . . . . . . rr_2dx3 1 . 1 . 108 . 1 1 7 HIS C C -0.008 -1.850 -1.203 . . . 1.0 . . . . . . . . . . . . A . 7 HIS C . . . . . . . . . rr_2dx3 1 . 1 . 109 . 1 1 7 HIS CA C 0.448 -3.284 -0.927 . . . 1.0 . . . . . . . . . . . . A . 7 HIS CA . . . . . . . . . rr_2dx3 1 . 1 . 110 . 1 1 7 HIS CB C 0.580 -4.120 -2.202 . . . 1.0 . . . . . . . . . . . . A . 7 HIS CB . . . . . . . . . rr_2dx3 1 . 1 . 111 . 1 1 7 HIS CD2 C 1.323 -6.206 -0.813 . . . 1.0 . . . . . . . . . . . . A . 7 HIS CD2 . . . . . . . . . rr_2dx3 1 . 1 . 112 . 1 1 7 HIS CE1 C 1.897 -7.501 -2.479 . . . 1.0 . . . . . . . . . . . . A . 7 HIS CE1 . . . . . . . . . rr_2dx3 1 . 1 . 113 . 1 1 7 HIS CG C 1.108 -5.515 -1.969 . . . 1.0 . . . . . . . . . . . . A . 7 HIS CG . . . . . . . . . rr_2dx3 1 . 1 . 114 . 1 1 7 HIS H H -1.206 -4.440 -0.409 . . . 1.0 . . . . . . . . . . . . A . 7 HIS H . . . . . . . . . rr_2dx3 1 . 1 . 115 . 1 1 7 HIS HA H 1.424 -3.259 -0.443 . . . 1.0 . . . . . . . . . . . . A . 7 HIS HA . . . . . . . . . rr_2dx3 1 . 1 . 116 . 1 1 7 HIS HB2 H -0.396 -4.187 -2.682 . . . 1.0 . . . . . . . . . . . . A . 7 HIS HB2 . . . . . . . . . rr_2dx3 1 . 1 . 117 . 1 1 7 HIS HB3 H 1.242 -3.603 -2.896 . . . 1.0 . . . . . . . . . . . . A . 7 HIS HB3 . . . . . . . . . rr_2dx3 1 . 1 . 118 . 1 1 7 HIS HD1 H 1.440 -6.141 -3.977 . . . 1.0 . . . . . . . . . . . . A . 7 HIS HD1 . . . . . . . . . rr_2dx3 1 . 1 . 119 . 1 1 7 HIS HD2 H 1.136 -5.835 0.195 . . . 1.0 . . . . . . . . . . . . A . 7 HIS HD2 . . . . . . . . . rr_2dx3 1 . 1 . 120 . 1 1 7 HIS HE1 H 2.257 -8.367 -3.036 . . . 1.0 . . . . . . . . . . . . A . 7 HIS HE1 . . . . . . . . . rr_2dx3 1 . 1 . 121 . 1 1 7 HIS HE2 H 2.098 -8.099 -0.467 . . . 1.0 . . . . . . . . . . . . A . 7 HIS HE2 . . . . . . . . . rr_2dx3 1 . 1 . 122 . 1 1 7 HIS N N -0.466 -3.914 0.011 . . . 1.0 . . . . . . . . . . . . A . 7 HIS N . . . . . . . . . rr_2dx3 1 . 1 . 123 . 1 1 7 HIS ND1 N 1.480 -6.358 -3.002 . . . 1.0 . . . . . . . . . . . . A . 7 HIS ND1 . . . . . . . . . rr_2dx3 1 . 1 . 124 . 1 1 7 HIS NE2 N 1.799 -7.405 -1.122 . . . 1.0 . . . . . . . . . . . . A . 7 HIS NE2 . . . . . . . . . rr_2dx3 1 . 1 . 125 . 1 1 7 HIS O O 0.818 -0.954 -1.371 . . . 1.0 . . . . . . . . . . . . A . 7 HIS O . . . . . . . . . rr_2dx3 1 . 1 . 126 . 1 1 8 ALA C C -1.763 0.495 -0.237 . . . 1.0 . . . . . . . . . . . . A . 8 ALA C . . . . . . . . . rr_2dx3 1 . 1 . 127 . 1 1 8 ALA CA C -1.896 -0.367 -1.494 . . . 1.0 . . . . . . . . . . . . A . 8 ALA CA . . . . . . . . . rr_2dx3 1 . 1 . 128 . 1 1 8 ALA CB C -3.351 -0.526 -1.940 . . . 1.0 . . . . . . . . . . . . A . 8 ALA CB . . . . . . . . . rr_2dx3 1 . 1 . 129 . 1 1 8 ALA H H -1.986 -2.411 -1.103 . . . 1.0 . . . . . . . . . . . . A . 8 ALA H . . . . . . . . . rr_2dx3 1 . 1 . 130 . 1 1 8 ALA HA H -1.329 0.094 -2.302 . . . 1.0 . . . . . . . . . . . . A . 8 ALA HA . . . . . . . . . rr_2dx3 1 . 1 . 131 . 1 1 8 ALA HB1 H -3.580 0.219 -2.703 . . . 1.0 . . . . . . . . . . . . A . 8 ALA HB1 . . . . . . . . . rr_2dx3 1 . 1 . 132 . 1 1 8 ALA HB2 H -3.498 -1.524 -2.352 . . . 1.0 . . . . . . . . . . . . A . 8 ALA HB2 . . . . . . . . . rr_2dx3 1 . 1 . 133 . 1 1 8 ALA HB3 H -4.011 -0.384 -1.084 . . . 1.0 . . . . . . . . . . . . A . 8 ALA HB3 . . . . . . . . . rr_2dx3 1 . 1 . 134 . 1 1 8 ALA N N -1.321 -1.677 -1.241 . . . 1.0 . . . . . . . . . . . . A . 8 ALA N . . . . . . . . . rr_2dx3 1 . 1 . 135 . 1 1 8 ALA O O -2.019 1.697 -0.274 . . . 1.0 . . . . . . . . . . . . A . 8 ALA O . . . . . . . . . rr_2dx3 1 . 1 . 136 . 1 1 9 LYS C C 0.291 0.845 2.327 . . . 1.0 . . . . . . . . . . . . A . 9 LYS C . . . . . . . . . rr_2dx3 1 . 1 . 137 . 1 1 9 LYS CA C -1.193 0.538 2.114 . . . 1.0 . . . . . . . . . . . . A . 9 LYS CA . . . . . . . . . rr_2dx3 1 . 1 . 138 . 1 1 9 LYS CB C -1.825 -0.265 3.252 . . . 1.0 . . . . . . . . . . . . A . 9 LYS CB . . . . . . . . . rr_2dx3 1 . 1 . 139 . 1 1 9 LYS CD C -2.053 0.411 5.671 . . . 1.0 . . . . . . . . . . . . A . 9 LYS CD . . . . . . . . . rr_2dx3 1 . 1 . 140 . 1 1 9 LYS CE C -1.867 1.732 6.421 . . . 1.0 . . . . . . . . . . . . A . 9 LYS CE . . . . . . . . . rr_2dx3 1 . 1 . 141 . 1 1 9 LYS CG C -2.541 0.657 4.242 . . . 1.0 . . . . . . . . . . . . A . 9 LYS CG . . . . . . . . . rr_2dx3 1 . 1 . 142 . 1 1 9 LYS H H -1.157 -1.132 0.869 . . . 1.0 . . . . . . . . . . . . A . 9 LYS H . . . . . . . . . rr_2dx3 1 . 1 . 143 . 1 1 9 LYS HA H -1.734 1.482 2.045 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HA . . . . . . . . . rr_2dx3 1 . 1 . 144 . 1 1 9 LYS HB2 H -2.532 -0.986 2.845 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HB2 . . . . . . . . . rr_2dx3 1 . 1 . 145 . 1 1 9 LYS HB3 H -1.054 -0.834 3.772 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HB3 . . . . . . . . . rr_2dx3 1 . 1 . 146 . 1 1 9 LYS HD2 H -2.771 -0.215 6.201 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HD2 . . . . . . . . . rr_2dx3 1 . 1 . 147 . 1 1 9 LYS HD3 H -1.110 -0.134 5.649 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HD3 . . . . . . . . . rr_2dx3 1 . 1 . 148 . 1 1 9 LYS HE2 H -1.267 2.416 5.822 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HE2 . . . . . . . . . rr_2dx3 1 . 1 . 149 . 1 1 9 LYS HE3 H -2.835 2.208 6.576 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HE3 . . . . . . . . . rr_2dx3 1 . 1 . 150 . 1 1 9 LYS HG2 H -2.365 1.697 3.967 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HG2 . . . . . . . . . rr_2dx3 1 . 1 . 151 . 1 1 9 LYS HG3 H -3.616 0.490 4.187 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HG3 . . . . . . . . . rr_2dx3 1 . 1 . 152 . 1 1 9 LYS HZ1 H -1.880 1.147 8.380 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HZ1 . . . . . . . . . rr_2dx3 1 . 1 . 153 . 1 1 9 LYS HZ2 H -0.473 0.831 7.614 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HZ2 . . . . . . . . . rr_2dx3 1 . 1 . 154 . 1 1 9 LYS HZ3 H -0.831 2.359 8.068 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HZ3 . . . . . . . . . rr_2dx3 1 . 1 . 155 . 1 1 9 LYS N N -1.363 -0.154 0.847 . . . 1.0 . . . . . . . . . . . . A . 9 LYS N . . . . . . . . . rr_2dx3 1 . 1 . 156 . 1 1 9 LYS NZ N -1.209 1.498 7.726 . . . 1.0 . . . . . . . . . . . . A . 9 LYS NZ . . . . . . . . . rr_2dx3 1 . 1 . 157 . 1 1 9 LYS O O 0.658 1.981 2.622 . . . 1.0 . . . . . . . . . . . . A . 9 LYS O . . . . . . . . . rr_2dx3 1 . 1 . 158 . 1 1 10 ALA C C 3.136 0.604 1.089 . . . 1.0 . . . . . . . . . . . . A . 10 ALA C . . . . . . . . . rr_2dx3 1 . 1 . 159 . 1 1 10 ALA CA C 2.540 -0.044 2.340 . . . 1.0 . . . . . . . . . . . . A . 10 ALA CA . . . . . . . . . rr_2dx3 1 . 1 . 160 . 1 1 10 ALA CB C 3.159 -1.411 2.639 . . . 1.0 . . . . . . . . . . . . A . 10 ALA CB . . . . . . . . . rr_2dx3 1 . 1 . 161 . 1 1 10 ALA H H 0.798 -1.110 1.928 . . . 1.0 . . . . . . . . . . . . A . 10 ALA H . . . . . . . . . rr_2dx3 1 . 1 . 162 . 1 1 10 ALA HA H 2.708 0.612 3.194 . . . 1.0 . . . . . . . . . . . . A . 10 ALA HA . . . . . . . . . rr_2dx3 1 . 1 . 163 . 1 1 10 ALA HB1 H 2.570 -1.917 3.404 . . . 1.0 . . . . . . . . . . . . A . 10 ALA HB1 . . . . . . . . . rr_2dx3 1 . 1 . 164 . 1 1 10 ALA HB2 H 3.168 -2.013 1.730 . . . 1.0 . . . . . . . . . . . . A . 10 ALA HB2 . . . . . . . . . rr_2dx3 1 . 1 . 165 . 1 1 10 ALA HB3 H 4.180 -1.277 2.996 . . . 1.0 . . . . . . . . . . . . A . 10 ALA HB3 . . . . . . . . . rr_2dx3 1 . 1 . 166 . 1 1 10 ALA N N 1.105 -0.189 2.168 . . . 1.0 . . . . . . . . . . . . A . 10 ALA N . . . . . . . . . rr_2dx3 1 . 1 . 167 . 1 1 10 ALA O O 4.084 1.383 1.180 . . . 1.0 . . . . . . . . . . . . A . 10 ALA O . . . . . . . . . rr_2dx3 1 . 1 . 168 . 1 1 11 GLY C C 2.359 2.147 -1.614 . . . 1.0 . . . . . . . . . . . . A . 11 GLY C . . . . . . . . . rr_2dx3 1 . 1 . 169 . 1 1 11 GLY CA C 3.018 0.798 -1.319 . . . 1.0 . . . . . . . . . . . . A . 11 GLY CA . . . . . . . . . rr_2dx3 1 . 1 . 170 . 1 1 11 GLY H H 1.785 -0.375 -0.117 . . . 1.0 . . . . . . . . . . . . A . 11 GLY H . . . . . . . . . rr_2dx3 1 . 1 . 171 . 1 1 11 GLY HA2 H 4.101 0.916 -1.295 . . . 1.0 . . . . . . . . . . . . A . 11 GLY HA2 . . . . . . . . . rr_2dx3 1 . 1 . 172 . 1 1 11 GLY HA3 H 2.791 0.096 -2.121 . . . 1.0 . . . . . . . . . . . . A . 11 GLY HA3 . . . . . . . . . rr_2dx3 1 . 1 . 173 . 1 1 11 GLY N N 2.556 0.259 -0.051 . . . 1.0 . . . . . . . . . . . . A . 11 GLY N . . . . . . . . . rr_2dx3 1 . 1 . 174 . 1 1 11 GLY O O 2.411 2.634 -2.743 . . . 1.0 . . . . . . . . . . . . A . 11 GLY O . . . . . . . . . rr_2dx3 1 . 1 . 175 . 1 1 12 TYR C C 2.057 5.150 -0.454 . . . 1.0 . . . . . . . . . . . . A . 12 TYR C . . . . . . . . . rr_2dx3 1 . 1 . 176 . 1 1 12 TYR CA C 1.086 3.996 -0.714 . . . 1.0 . . . . . . . . . . . . A . 12 TYR CA . . . . . . . . . rr_2dx3 1 . 1 . 177 . 1 1 12 TYR CB C -0.008 4.016 0.355 . . . 1.0 . . . . . . . . . . . . A . 12 TYR CB . . . . . . . . . rr_2dx3 1 . 1 . 178 . 1 1 12 TYR CD1 C 1.772 4.245 2.126 . . . 1.0 . . . . . . . . . . . . A . 12 TYR CD1 . . . . . . . . . rr_2dx3 1 . 1 . 179 . 1 1 12 TYR CD2 C -0.393 5.156 2.571 . . . 1.0 . . . . . . . . . . . . A . 12 TYR CD2 . . . . . . . . . rr_2dx3 1 . 1 . 180 . 1 1 12 TYR CE1 C 2.224 4.689 3.419 . . . 1.0 . . . . . . . . . . . . A . 12 TYR CE1 . . . . . . . . . rr_2dx3 1 . 1 . 181 . 1 1 12 TYR CE2 C 0.059 5.600 3.864 . . . 1.0 . . . . . . . . . . . . A . 12 TYR CE2 . . . . . . . . . rr_2dx3 1 . 1 . 182 . 1 1 12 TYR CG C 0.473 4.488 1.729 . . . 1.0 . . . . . . . . . . . . A . 12 TYR CG . . . . . . . . . rr_2dx3 1 . 1 . 183 . 1 1 12 TYR CZ C 1.346 5.345 4.224 . . . 1.0 . . . . . . . . . . . . A . 12 TYR CZ . . . . . . . . . rr_2dx3 1 . 1 . 184 . 1 1 12 TYR H H 1.716 2.310 0.334 . . . 1.0 . . . . . . . . . . . . A . 12 TYR H . . . . . . . . . rr_2dx3 1 . 1 . 185 . 1 1 12 TYR HA H 0.707 4.073 -1.733 . . . 1.0 . . . . . . . . . . . . A . 12 TYR HA . . . . . . . . . rr_2dx3 1 . 1 . 186 . 1 1 12 TYR HB2 H -0.816 4.666 0.021 . . . 1.0 . . . . . . . . . . . . A . 12 TYR HB2 . . . . . . . . . rr_2dx3 1 . 1 . 187 . 1 1 12 TYR HB3 H -0.425 3.013 0.452 . . . 1.0 . . . . . . . . . . . . A . 12 TYR HB3 . . . . . . . . . rr_2dx3 1 . 1 . 188 . 1 1 12 TYR HD1 H 2.455 3.717 1.461 . . . 1.0 . . . . . . . . . . . . A . 12 TYR HD1 . . . . . . . . . rr_2dx3 1 . 1 . 189 . 1 1 12 TYR HD2 H -1.419 5.348 2.257 . . . 1.0 . . . . . . . . . . . . A . 12 TYR HD2 . . . . . . . . . rr_2dx3 1 . 1 . 190 . 1 1 12 TYR HE1 H 3.247 4.504 3.746 . . . 1.0 . . . . . . . . . . . . A . 12 TYR HE1 . . . . . . . . . rr_2dx3 1 . 1 . 191 . 1 1 12 TYR HE2 H -0.614 6.130 4.538 . . . 1.0 . . . . . . . . . . . . A . 12 TYR HE2 . . . . . . . . . rr_2dx3 1 . 1 . 192 . 1 1 12 TYR HH H 1.160 6.472 5.797 . . . 1.0 . . . . . . . . . . . . A . 12 TYR HH . . . . . . . . . rr_2dx3 1 . 1 . 193 . 1 1 12 TYR N N 1.754 2.713 -0.580 . . . 1.0 . . . . . . . . . . . . A . 12 TYR N . . . . . . . . . rr_2dx3 1 . 1 . 194 . 1 1 12 TYR O O 1.637 6.256 -0.119 . . . 1.0 . . . . . . . . . . . . A . 12 TYR O . . . . . . . . . rr_2dx3 1 . 1 . 195 . 1 1 12 TYR OH O 1.773 5.764 5.445 . . . 1.0 . . . . . . . . . . . . A . 12 TYR OH . . . . . . . . . rr_2dx3 1 . 1 . 196 . 1 1 13 ILE C C 4.752 6.478 -1.748 . . . 1.0 . . . . . . . . . . . . A . 13 ILE C . . . . . . . . . rr_2dx3 1 . 1 . 197 . 1 1 13 ILE CA C 4.372 5.850 -0.406 . . . 1.0 . . . . . . . . . . . . A . 13 ILE CA . . . . . . . . . rr_2dx3 1 . 1 . 198 . 1 1 13 ILE CB C 5.557 5.242 0.346 . . . 1.0 . . . . . . . . . . . . A . 13 ILE CB . . . . . . . . . rr_2dx3 1 . 1 . 199 . 1 1 13 ILE CD1 C 5.878 3.590 -1.532 . . . 1.0 . . . . . . . . . . . . A . 13 ILE CD1 . . . . . . . . . rr_2dx3 1 . 1 . 200 . 1 1 13 ILE CG1 C 6.560 4.616 -0.625 . . . 1.0 . . . . . . . . . . . . A . 13 ILE CG1 . . . . . . . . . rr_2dx3 1 . 1 . 201 . 1 1 13 ILE CG2 C 5.082 4.242 1.402 . . . 1.0 . . . . . . . . . . . . A . 13 ILE CG2 . . . . . . . . . rr_2dx3 1 . 1 . 202 . 1 1 13 ILE H H 3.671 3.949 -0.891 . . . 1.0 . . . . . . . . . . . . A . 13 ILE H . . . . . . . . . rr_2dx3 1 . 1 . 203 . 1 1 13 ILE HA H 3.950 6.627 0.232 . . . 1.0 . . . . . . . . . . . . A . 13 ILE HA . . . . . . . . . rr_2dx3 1 . 1 . 204 . 1 1 13 ILE HB H 6.075 6.043 0.872 . . . 1.0 . . . . . . . . . . . . A . 13 ILE HB . . . . . . . . . rr_2dx3 1 . 1 . 205 . 1 1 13 ILE HD11 H 6.626 3.107 -2.161 . . . 1.0 . . . . . . . . . . . . A . 13 ILE HD11 . . . . . . . . . rr_2dx3 1 . 1 . 206 . 1 1 13 ILE HD12 H 5.379 2.839 -0.920 . . . 1.0 . . . . . . . . . . . . A . 13 ILE HD12 . . . . . . . . . rr_2dx3 1 . 1 . 207 . 1 1 13 ILE HD13 H 5.144 4.093 -2.162 . . . 1.0 . . . . . . . . . . . . A . 13 ILE HD13 . . . . . . . . . rr_2dx3 1 . 1 . 208 . 1 1 13 ILE HG12 H 7.018 5.396 -1.233 . . . 1.0 . . . . . . . . . . . . A . 13 ILE HG12 . . . . . . . . . rr_2dx3 1 . 1 . 209 . 1 1 13 ILE HG13 H 7.363 4.136 -0.065 . . . 1.0 . . . . . . . . . . . . A . 13 ILE HG13 . . . . . . . . . rr_2dx3 1 . 1 . 210 . 1 1 13 ILE HG21 H 5.938 3.695 1.796 . . . 1.0 . . . . . . . . . . . . A . 13 ILE HG21 . . . . . . . . . rr_2dx3 1 . 1 . 211 . 1 1 13 ILE HG22 H 4.588 4.777 2.213 . . . 1.0 . . . . . . . . . . . . A . 13 ILE HG22 . . . . . . . . . rr_2dx3 1 . 1 . 212 . 1 1 13 ILE HG23 H 4.380 3.541 0.949 . . . 1.0 . . . . . . . . . . . . A . 13 ILE HG23 . . . . . . . . . rr_2dx3 1 . 1 . 213 . 1 1 13 ILE N N 3.338 4.852 -0.619 . . . 1.0 . . . . . . . . . . . . A . 13 ILE N . . . . . . . . . rr_2dx3 1 . 1 . 214 . 1 1 13 ILE O O 5.741 7.204 -1.840 . . . 1.0 . . . . . . . . . . . . A . 13 ILE O . . . . . . . . . rr_2dx3 1 . 1 . 215 . 1 1 14 VAL C C 3.668 8.138 -4.167 . . . 1.0 . . . . . . . . . . . . A . 14 VAL C . . . . . . . . . rr_2dx3 1 . 1 . 216 . 1 1 14 VAL CA C 4.187 6.701 -4.089 . . . 1.0 . . . . . . . . . . . . A . 14 VAL CA . . . . . . . . . rr_2dx3 1 . 1 . 217 . 1 1 14 VAL CB C 3.557 5.780 -5.136 . . . 1.0 . . . . . . . . . . . . A . 14 VAL CB . . . . . . . . . rr_2dx3 1 . 1 . 218 . 1 1 14 VAL CG1 C 3.755 6.338 -6.547 . . . 1.0 . . . . . . . . . . . . A . 14 VAL CG1 . . . . . . . . . rr_2dx3 1 . 1 . 219 . 1 1 14 VAL CG2 C 4.115 4.360 -5.025 . . . 1.0 . . . . . . . . . . . . A . 14 VAL CG2 . . . . . . . . . rr_2dx3 1 . 1 . 220 . 1 1 14 VAL H H 3.145 5.584 -2.673 . . . 1.0 . . . . . . . . . . . . A . 14 VAL H . . . . . . . . . rr_2dx3 1 . 1 . 221 . 1 1 14 VAL HA H 5.265 6.708 -4.251 . . . 1.0 . . . . . . . . . . . . A . 14 VAL HA . . . . . . . . . rr_2dx3 1 . 1 . 222 . 1 1 14 VAL HB H 2.485 5.735 -4.941 . . . 1.0 . . . . . . . . . . . . A . 14 VAL HB . . . . . . . . . rr_2dx3 1 . 1 . 223 . 1 1 14 VAL HG11 H 4.766 6.114 -6.888 . . . 1.0 . . . . . . . . . . . . A . 14 VAL HG11 . . . . . . . . . rr_2dx3 1 . 1 . 224 . 1 1 14 VAL HG12 H 3.034 5.879 -7.224 . . . 1.0 . . . . . . . . . . . . A . 14 VAL HG12 . . . . . . . . . rr_2dx3 1 . 1 . 225 . 1 1 14 VAL HG13 H 3.606 7.417 -6.535 . . . 1.0 . . . . . . . . . . . . A . 14 VAL HG13 . . . . . . . . . rr_2dx3 1 . 1 . 226 . 1 1 14 VAL HG21 H 3.296 3.659 -4.861 . . . 1.0 . . . . . . . . . . . . A . 14 VAL HG21 . . . . . . . . . rr_2dx3 1 . 1 . 227 . 1 1 14 VAL HG22 H 4.637 4.101 -5.946 . . . 1.0 . . . . . . . . . . . . A . 14 VAL HG22 . . . . . . . . . rr_2dx3 1 . 1 . 228 . 1 1 14 VAL HG23 H 4.811 4.308 -4.187 . . . 1.0 . . . . . . . . . . . . A . 14 VAL HG23 . . . . . . . . . rr_2dx3 1 . 1 . 229 . 1 1 14 VAL N N 3.947 6.175 -2.756 . . . 1.0 . . . . . . . . . . . . A . 14 VAL N . . . . . . . . . rr_2dx3 1 . 1 . 230 . 1 1 14 VAL O O 4.169 8.941 -4.952 . . . 1.0 . . . . . . . . . . . . A . 14 VAL O . . . . . . . . . rr_2dx3 1 . 1 . 231 . 1 1 15 HIS C C 2.356 10.396 -1.952 . . . 1.0 . . . . . . . . . . . . A . 15 HIS C . . . . . . . . . rr_2dx3 1 . 1 . 232 . 1 1 15 HIS CA C 2.077 9.744 -3.308 . . . 1.0 . . . . . . . . . . . . A . 15 HIS CA . . . . . . . . . rr_2dx3 1 . 1 . 233 . 1 1 15 HIS CB C 0.585 9.681 -3.640 . . . 1.0 . . . . . . . . . . . . A . 15 HIS CB . . . . . . . . . rr_2dx3 1 . 1 . 234 . 1 1 15 HIS CD2 C 0.036 7.238 -2.890 . . . 1.0 . . . . . . . . . . . . A . 15 HIS CD2 . . . . . . . . . rr_2dx3 1 . 1 . 235 . 1 1 15 HIS CE1 C -0.935 6.558 -4.730 . . . 1.0 . . . . . . . . . . . . A . 15 HIS CE1 . . . . . . . . . rr_2dx3 1 . 1 . 236 . 1 1 15 HIS CG C 0.044 8.278 -3.773 . . . 1.0 . . . . . . . . . . . . A . 15 HIS CG . . . . . . . . . rr_2dx3 1 . 1 . 237 . 1 1 15 HIS H H 2.267 7.759 -2.707 . . . 1.0 . . . . . . . . . . . . A . 15 HIS H . . . . . . . . . rr_2dx3 1 . 1 . 238 . 1 1 15 HIS HA H 2.567 10.326 -4.089 . . . 1.0 . . . . . . . . . . . . A . 15 HIS HA . . . . . . . . . rr_2dx3 1 . 1 . 239 . 1 1 15 HIS HB2 H 0.027 10.202 -2.861 . . . 1.0 . . . . . . . . . . . . A . 15 HIS HB2 . . . . . . . . . rr_2dx3 1 . 1 . 240 . 1 1 15 HIS HB3 H 0.407 10.218 -4.572 . . . 1.0 . . . . . . . . . . . . A . 15 HIS HB3 . . . . . . . . . rr_2dx3 1 . 1 . 241 . 1 1 15 HIS HD1 H -0.724 8.348 -5.758 . . . 1.0 . . . . . . . . . . . . A . 15 HIS HD1 . . . . . . . . . rr_2dx3 1 . 1 . 242 . 1 1 15 HIS HD2 H 0.446 7.256 -1.881 . . . 1.0 . . . . . . . . . . . . A . 15 HIS HD2 . . . . . . . . . rr_2dx3 1 . 1 . 243 . 1 1 15 HIS HE1 H -1.445 5.920 -5.451 . . . 1.0 . . . . . . . . . . . . A . 15 HIS HE1 . . . . . . . . . rr_2dx3 1 . 1 . 244 . 1 1 15 HIS HE2 H -0.650 5.288 -3.071 . . . 1.0 . . . . . . . . . . . . A . 15 HIS HE2 . . . . . . . . . rr_2dx3 1 . 1 . 245 . 1 1 15 HIS N N 2.669 8.418 -3.342 . . . 1.0 . . . . . . . . . . . . A . 15 HIS N . . . . . . . . . rr_2dx3 1 . 1 . 246 . 1 1 15 HIS ND1 N -0.574 7.819 -4.923 . . . 1.0 . . . . . . . . . . . . A . 15 HIS ND1 . . . . . . . . . rr_2dx3 1 . 1 . 247 . 1 1 15 HIS NE2 N -0.556 6.201 -3.469 . . . 1.0 . . . . . . . . . . . . A . 15 HIS NE2 . . . . . . . . . rr_2dx3 1 . 1 . 248 . 1 1 15 HIS O O 2.251 11.614 -1.811 . . . 1.0 . . . . . . . . . . . . A . 15 HIS O . . . . . . . . . rr_2dx3 1 . 1 . 249 . 1 1 16 TRP C C 4.429 10.579 0.355 . . . 1.0 . . . . . . . . . . . . A . 16 TRP C . . . . . . . . . rr_2dx3 1 . 1 . 250 . 1 1 16 TRP CA C 2.999 10.035 0.351 . . . 1.0 . . . . . . . . . . . . A . 16 TRP CA . . . . . . . . . rr_2dx3 1 . 1 . 251 . 1 1 16 TRP CB C 2.776 8.933 1.389 . . . 1.0 . . . . . . . . . . . . A . 16 TRP CB . . . . . . . . . rr_2dx3 1 . 1 . 252 . 1 1 16 TRP CD1 C 4.722 7.789 2.638 . . . 1.0 . . . . . . . . . . . . A . 16 TRP CD1 . . . . . . . . . rr_2dx3 1 . 1 . 253 . 1 1 16 TRP CD2 C 4.274 9.823 3.393 . . . 1.0 . . . . . . . . . . . . A . 16 TRP CD2 . . . . . . . . . rr_2dx3 1 . 1 . 254 . 1 1 16 TRP CE2 C 5.325 9.328 4.139 . . . 1.0 . . . . . . . . . . . . A . 16 TRP CE2 . . . . . . . . . rr_2dx3 1 . 1 . 255 . 1 1 16 TRP CE3 C 3.749 11.105 3.629 . . . 1.0 . . . . . . . . . . . . A . 16 TRP CE3 . . . . . . . . . rr_2dx3 1 . 1 . 256 . 1 1 16 TRP CG C 3.894 8.820 2.427 . . . 1.0 . . . . . . . . . . . . A . 16 TRP CG . . . . . . . . . rr_2dx3 1 . 1 . 257 . 1 1 16 TRP CH2 C 5.432 11.328 5.423 . . . 1.0 . . . . . . . . . . . . A . 16 TRP CH2 . . . . . . . . . rr_2dx3 1 . 1 . 258 . 1 1 16 TRP CZ2 C 5.939 10.048 5.171 . . . 1.0 . . . . . . . . . . . . A . 16 TRP CZ2 . . . . . . . . . rr_2dx3 1 . 1 . 259 . 1 1 16 TRP CZ3 C 4.374 11.812 4.663 . . . 1.0 . . . . . . . . . . . . A . 16 TRP CZ3 . . . . . . . . . rr_2dx3 1 . 1 . 260 . 1 1 16 TRP H H 2.787 8.567 -1.111 . . . 1.0 . . . . . . . . . . . . A . 16 TRP H . . . . . . . . . rr_2dx3 1 . 1 . 261 . 1 1 16 TRP HA H 2.295 10.835 0.581 . . . 1.0 . . . . . . . . . . . . A . 16 TRP HA . . . . . . . . . rr_2dx3 1 . 1 . 262 . 1 1 16 TRP HB2 H 1.833 9.119 1.904 . . . 1.0 . . . . . . . . . . . . A . 16 TRP HB2 . . . . . . . . . rr_2dx3 1 . 1 . 263 . 1 1 16 TRP HB3 H 2.674 7.978 0.874 . . . 1.0 . . . . . . . . . . . . A . 16 TRP HB3 . . . . . . . . . rr_2dx3 1 . 1 . 264 . 1 1 16 TRP HD1 H 4.701 6.859 2.070 . . . 1.0 . . . . . . . . . . . . A . 16 TRP HD1 . . . . . . . . . rr_2dx3 1 . 1 . 265 . 1 1 16 TRP HE1 H 6.381 7.381 4.037 . . . 1.0 . . . . . . . . . . . . A . 16 TRP HE1 . . . . . . . . . rr_2dx3 1 . 1 . 266 . 1 1 16 TRP HE3 H 2.920 11.519 3.054 . . . 1.0 . . . . . . . . . . . . A . 16 TRP HE3 . . . . . . . . . rr_2dx3 1 . 1 . 267 . 1 1 16 TRP HH2 H 5.865 11.942 6.213 . . . 1.0 . . . . . . . . . . . . A . 16 TRP HH2 . . . . . . . . . rr_2dx3 1 . 1 . 268 . 1 1 16 TRP HZ2 H 6.767 9.634 5.746 . . . 1.0 . . . . . . . . . . . . A . 16 TRP HZ2 . . . . . . . . . rr_2dx3 1 . 1 . 269 . 1 1 16 TRP HZ3 H 4.005 12.813 4.888 . . . 1.0 . . . . . . . . . . . . A . 16 TRP HZ3 . . . . . . . . . rr_2dx3 1 . 1 . 270 . 1 1 16 TRP N N 2.704 9.556 -0.989 . . . 1.0 . . . . . . . . . . . . A . 16 TRP N . . . . . . . . . rr_2dx3 1 . 1 . 271 . 1 1 16 TRP NE1 N 5.606 8.051 3.666 . . . 1.0 . . . . . . . . . . . . A . 16 TRP NE1 . . . . . . . . . rr_2dx3 1 . 1 . 272 . 1 1 16 TRP O O 4.637 11.789 0.284 . . . 1.0 . . . . . . . . . . . . A . 16 TRP O . . . . . . . . . rr_2dx3 1 . 1 . 273 . 1 1 17 THR C C 7.650 8.854 0.002 . . . 1.0 . . . . . . . . . . . . A . 17 THR C . . . . . . . . . rr_2dx3 1 . 1 . 274 . 1 1 17 THR CA C 6.783 10.030 0.453 . . . 1.0 . . . . . . . . . . . . A . 17 THR CA . . . . . . . . . rr_2dx3 1 . 1 . 275 . 1 1 17 THR CB C 7.124 10.534 1.857 . . . 1.0 . . . . . . . . . . . . A . 17 THR CB . . . . . . . . . rr_2dx3 1 . 1 . 276 . 1 1 17 THR CG2 C 7.895 9.499 2.679 . . . 1.0 . . . . . . . . . . . . A . 17 THR CG2 . . . . . . . . . rr_2dx3 1 . 1 . 277 . 1 1 17 THR H H 5.201 8.676 0.497 . . . 1.0 . . . . . . . . . . . . A . 17 THR H . . . . . . . . . rr_2dx3 1 . 1 . 278 . 1 1 17 THR HA H 6.933 10.834 -0.268 . . . 1.0 . . . . . . . . . . . . A . 17 THR HA . . . . . . . . . rr_2dx3 1 . 1 . 279 . 1 1 17 THR HB H 6.227 10.859 2.383 . . . 1.0 . . . . . . . . . . . . A . 17 THR HB . . . . . . . . . rr_2dx3 1 . 1 . 280 . 1 1 17 THR HG1 H 7.637 12.466 1.754 . . . 1.0 . . . . . . . . . . . . A . 17 THR HG1 . . . . . . . . . rr_2dx3 1 . 1 . 281 . 1 1 17 THR HG21 H 7.510 8.502 2.461 . . . 1.0 . . . . . . . . . . . . A . 17 THR HG21 . . . . . . . . . rr_2dx3 1 . 1 . 282 . 1 1 17 THR HG22 H 8.953 9.544 2.420 . . . 1.0 . . . . . . . . . . . . A . 17 THR HG22 . . . . . . . . . rr_2dx3 1 . 1 . 283 . 1 1 17 THR HG23 H 7.771 9.712 3.741 . . . 1.0 . . . . . . . . . . . . A . 17 THR HG23 . . . . . . . . . rr_2dx3 1 . 1 . 284 . 1 1 17 THR N N 5.378 9.658 0.439 . . . 1.0 . . . . . . . . . . . . A . 17 THR N . . . . . . . . . rr_2dx3 1 . 1 . 285 . 1 1 17 THR O O 7.196 7.711 -0.010 . . . 1.0 . . . . . . . . . . . . A . 17 THR O . . . . . . . . . rr_2dx3 1 . 1 . 286 . 1 1 17 THR OG1 O 8.072 11.574 1.632 . . . 1.0 . . . . . . . . . . . . A . 17 THR OG1 . . . . . . . . . rr_2dx3 1 . 1 . 287 . 1 1 18 ALA C C 11.153 8.820 -1.164 . . . 1.0 . . . . . . . . . . . . A . 18 ALA C . . . . . . . . . rr_2dx3 1 . 1 . 288 . 1 1 18 ALA CA C 9.820 8.159 -0.810 . . . 1.0 . . . . . . . . . . . . A . 18 ALA CA . . . . . . . . . rr_2dx3 1 . 1 . 289 . 1 1 18 ALA CB C 9.216 7.397 -1.991 . . . 1.0 . . . . . . . . . . . . A . 18 ALA CB . . . . . . . . . rr_2dx3 1 . 1 . 290 . 1 1 18 ALA H H 9.246 10.107 -0.346 . . . 1.0 . . . . . . . . . . . . A . 18 ALA H . . . . . . . . . rr_2dx3 1 . 1 . 291 . 1 1 18 ALA HA H 9.977 7.462 0.014 . . . 1.0 . . . . . . . . . . . . A . 18 ALA HA . . . . . . . . . rr_2dx3 1 . 1 . 292 . 1 1 18 ALA HB1 H 8.355 6.822 -1.651 . . . 1.0 . . . . . . . . . . . . A . 18 ALA HB1 . . . . . . . . . rr_2dx3 1 . 1 . 293 . 1 1 18 ALA HB2 H 8.900 8.105 -2.757 . . . 1.0 . . . . . . . . . . . . A . 18 ALA HB2 . . . . . . . . . rr_2dx3 1 . 1 . 294 . 1 1 18 ALA HB3 H 9.963 6.720 -2.408 . . . 1.0 . . . . . . . . . . . . A . 18 ALA HB3 . . . . . . . . . rr_2dx3 1 . 1 . 295 . 1 1 18 ALA N N 8.884 9.175 -0.359 . . . 1.0 . . . . . . . . . . . . A . 18 ALA N . . . . . . . . . rr_2dx3 1 . 1 . 296 . 1 1 18 ALA O O 11.262 9.499 -2.184 . . . 1.0 . . . . . . . . . . . . A . 18 ALA O . . . . . . . . . rr_2dx3 1 . 2 . 297 . 1 1 1 ILE C C -5.255 -10.803 3.063 . . . 1.0 . . . . . . . . . . . . A . 1 ILE C . . . . . . . . . rr_2dx3 1 . 2 . 298 . 1 1 1 ILE CA C -4.654 -11.961 3.862 . . . 1.0 . . . . . . . . . . . . A . 1 ILE CA . . . . . . . . . rr_2dx3 1 . 2 . 299 . 1 1 1 ILE CB C -4.640 -13.289 3.104 . . . 1.0 . . . . . . . . . . . . A . 1 ILE CB . . . . . . . . . rr_2dx3 1 . 2 . 300 . 1 1 1 ILE CD1 C -4.376 -15.723 3.711 . . . 1.0 . . . . . . . . . . . . A . 1 ILE CD1 . . . . . . . . . rr_2dx3 1 . 2 . 301 . 1 1 1 ILE CG1 C -3.770 -14.322 3.823 . . . 1.0 . . . . . . . . . . . . A . 1 ILE CG1 . . . . . . . . . rr_2dx3 1 . 2 . 302 . 1 1 1 ILE CG2 C -4.206 -13.087 1.650 . . . 1.0 . . . . . . . . . . . . A . 1 ILE CG2 . . . . . . . . . rr_2dx3 1 . 2 . 303 . 1 1 1 ILE H1 H -5.960 -11.328 5.356 . . . 1.0 . . . . . . . . . . . . A . 1 ILE H1 . . . . . . . . . rr_2dx3 1 . 2 . 304 . 1 1 1 ILE HA H -3.619 -11.715 4.101 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HA . . . . . . . . . rr_2dx3 1 . 2 . 305 . 1 1 1 ILE HB H -5.657 -13.682 3.084 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HB . . . . . . . . . rr_2dx3 1 . 2 . 306 . 1 1 1 ILE HD11 H -5.235 -15.694 3.040 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HD11 . . . . . . . . . rr_2dx3 1 . 2 . 307 . 1 1 1 ILE HD12 H -3.629 -16.411 3.315 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HD12 . . . . . . . . . rr_2dx3 1 . 2 . 308 . 1 1 1 ILE HD13 H -4.695 -16.061 4.697 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HD13 . . . . . . . . . rr_2dx3 1 . 2 . 309 . 1 1 1 ILE HG12 H -2.768 -14.320 3.395 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HG12 . . . . . . . . . rr_2dx3 1 . 2 . 310 . 1 1 1 ILE HG13 H -3.669 -14.049 4.873 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HG13 . . . . . . . . . rr_2dx3 1 . 2 . 311 . 1 1 1 ILE HG21 H -4.811 -12.303 1.196 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HG21 . . . . . . . . . rr_2dx3 1 . 2 . 312 . 1 1 1 ILE HG22 H -3.155 -12.797 1.622 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HG22 . . . . . . . . . rr_2dx3 1 . 2 . 313 . 1 1 1 ILE HG23 H -4.341 -14.016 1.098 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HG23 . . . . . . . . . rr_2dx3 1 . 2 . 314 . 1 1 1 ILE N N -5.370 -12.100 5.118 . . . 1.0 . . . . . . . . . . . . A . 1 ILE N . . . . . . . . . rr_2dx3 1 . 2 . 315 . 1 1 1 ILE O O -6.433 -10.485 3.213 . . . 1.0 . . . . . . . . . . . . A . 1 ILE O . . . . . . . . . rr_2dx3 1 . 2 . 316 . 1 1 2 ASN C C -3.653 -8.539 0.627 . . . 1.0 . . . . . . . . . . . . A . 2 ASN C . . . . . . . . . rr_2dx3 1 . 2 . 317 . 1 1 2 ASN CA C -4.850 -9.087 1.406 . . . 1.0 . . . . . . . . . . . . A . 2 ASN CA . . . . . . . . . rr_2dx3 1 . 2 . 318 . 1 1 2 ASN CB C -5.413 -7.954 2.267 . . . 1.0 . . . . . . . . . . . . A . 2 ASN CB . . . . . . . . . rr_2dx3 1 . 2 . 319 . 1 1 2 ASN CG C -6.933 -8.069 2.398 . . . 1.0 . . . . . . . . . . . . A . 2 ASN CG . . . . . . . . . rr_2dx3 1 . 2 . 320 . 1 1 2 ASN H H -3.459 -10.468 2.113 . . . 1.0 . . . . . . . . . . . . A . 2 ASN H . . . . . . . . . rr_2dx3 1 . 2 . 321 . 1 1 2 ASN HA H -5.621 -9.496 0.754 . . . 1.0 . . . . . . . . . . . . A . 2 ASN HA . . . . . . . . . rr_2dx3 1 . 2 . 322 . 1 1 2 ASN HB2 H -4.956 -7.982 3.256 . . . 1.0 . . . . . . . . . . . . A . 2 ASN HB2 . . . . . . . . . rr_2dx3 1 . 2 . 323 . 1 1 2 ASN HB3 H -5.154 -6.993 1.823 . . . 1.0 . . . . . . . . . . . . A . 2 ASN HB3 . . . . . . . . . rr_2dx3 1 . 2 . 324 . 1 1 2 ASN HD21 H -7.049 -8.221 0.383 . . . 1.0 . . . . . . . . . . . . A . 2 ASN HD21 . . . . . . . . . rr_2dx3 1 . 2 . 325 . 1 1 2 ASN HD22 H -8.564 -8.285 1.219 . . . 1.0 . . . . . . . . . . . . A . 2 ASN HD22 . . . . . . . . . rr_2dx3 1 . 2 . 326 . 1 1 2 ASN N N -4.417 -10.203 2.230 . . . 1.0 . . . . . . . . . . . . A . 2 ASN N . . . . . . . . . rr_2dx3 1 . 2 . 327 . 1 1 2 ASN ND2 N -7.568 -8.203 1.237 . . . 1.0 . . . . . . . . . . . . A . 2 ASN ND2 . . . . . . . . . rr_2dx3 1 . 2 . 328 . 1 1 2 ASN O O -2.528 -8.546 1.124 . . . 1.0 . . . . . . . . . . . . A . 2 ASN O . . . . . . . . . rr_2dx3 1 . 2 . 329 . 1 1 2 ASN OD1 O -7.492 -8.037 3.482 . . . 1.0 . . . . . . . . . . . . A . 2 ASN OD1 . . . . . . . . . rr_2dx3 1 . 2 . 330 . 1 1 3 TYR C C -3.118 -6.031 -1.672 . . . 1.0 . . . . . . . . . . . . A . 3 TYR C . . . . . . . . . rr_2dx3 1 . 2 . 331 . 1 1 3 TYR CA C -2.897 -7.526 -1.435 . . . 1.0 . . . . . . . . . . . . A . 3 TYR CA . . . . . . . . . rr_2dx3 1 . 2 . 332 . 1 1 3 TYR CB C -3.012 -8.264 -2.770 . . . 1.0 . . . . . . . . . . . . A . 3 TYR CB . . . . . . . . . rr_2dx3 1 . 2 . 333 . 1 1 3 TYR CD1 C -1.820 -6.710 -4.358 . . . 1.0 . . . . . . . . . . . . A . 3 TYR CD1 . . . . . . . . . rr_2dx3 1 . 2 . 334 . 1 1 3 TYR CD2 C -0.931 -8.906 -4.040 . . . 1.0 . . . . . . . . . . . . A . 3 TYR CD2 . . . . . . . . . rr_2dx3 1 . 2 . 335 . 1 1 3 TYR CE1 C -0.758 -6.414 -5.284 . . . 1.0 . . . . . . . . . . . . A . 3 TYR CE1 . . . . . . . . . rr_2dx3 1 . 2 . 336 . 1 1 3 TYR CE2 C 0.131 -8.610 -4.966 . . . 1.0 . . . . . . . . . . . . A . 3 TYR CE2 . . . . . . . . . rr_2dx3 1 . 2 . 337 . 1 1 3 TYR CG C -1.884 -7.950 -3.755 . . . 1.0 . . . . . . . . . . . . A . 3 TYR CG . . . . . . . . . rr_2dx3 1 . 2 . 338 . 1 1 3 TYR CZ C 0.165 -7.379 -5.543 . . . 1.0 . . . . . . . . . . . . A . 3 TYR CZ . . . . . . . . . rr_2dx3 1 . 2 . 339 . 1 1 3 TYR H H -4.854 -8.074 -0.979 . . . 1.0 . . . . . . . . . . . . A . 3 TYR H . . . . . . . . . rr_2dx3 1 . 2 . 340 . 1 1 3 TYR HA H -1.940 -7.669 -0.935 . . . 1.0 . . . . . . . . . . . . A . 3 TYR HA . . . . . . . . . rr_2dx3 1 . 2 . 341 . 1 1 3 TYR HB2 H -3.026 -9.338 -2.580 . . . 1.0 . . . . . . . . . . . . A . 3 TYR HB2 . . . . . . . . . rr_2dx3 1 . 2 . 342 . 1 1 3 TYR HB3 H -3.966 -8.010 -3.233 . . . 1.0 . . . . . . . . . . . . A . 3 TYR HB3 . . . . . . . . . rr_2dx3 1 . 2 . 343 . 1 1 3 TYR HD1 H -2.573 -5.955 -4.132 . . . 1.0 . . . . . . . . . . . . A . 3 TYR HD1 . . . . . . . . . rr_2dx3 1 . 2 . 344 . 1 1 3 TYR HD2 H -0.982 -9.885 -3.564 . . . 1.0 . . . . . . . . . . . . A . 3 TYR HD2 . . . . . . . . . rr_2dx3 1 . 2 . 345 . 1 1 3 TYR HE1 H -0.695 -5.439 -5.767 . . . 1.0 . . . . . . . . . . . . A . 3 TYR HE1 . . . . . . . . . rr_2dx3 1 . 2 . 346 . 1 1 3 TYR HE2 H 0.891 -9.356 -5.200 . . . 1.0 . . . . . . . . . . . . A . 3 TYR HE2 . . . . . . . . . rr_2dx3 1 . 2 . 347 . 1 1 3 TYR HH H 1.032 -6.192 -6.815 . . . 1.0 . . . . . . . . . . . . A . 3 TYR HH . . . . . . . . . rr_2dx3 1 . 2 . 348 . 1 1 3 TYR N N -3.937 -8.077 -0.582 . . . 1.0 . . . . . . . . . . . . A . 3 TYR N . . . . . . . . . rr_2dx3 1 . 2 . 349 . 1 1 3 TYR O O -2.181 -5.306 -2.004 . . . 1.0 . . . . . . . . . . . . A . 3 TYR O . . . . . . . . . rr_2dx3 1 . 2 . 350 . 1 1 3 TYR OH O 1.168 -7.099 -6.418 . . . 1.0 . . . . . . . . . . . . A . 3 TYR OH . . . . . . . . . rr_2dx3 1 . 2 . 351 . 1 1 4 TRP C C -4.628 -3.517 -0.327 . . . 1.0 . . . . . . . . . . . . A . 4 TRP C . . . . . . . . . rr_2dx3 1 . 2 . 352 . 1 1 4 TRP CA C -4.718 -4.217 -1.684 . . . 1.0 . . . . . . . . . . . . A . 4 TRP CA . . . . . . . . . rr_2dx3 1 . 2 . 353 . 1 1 4 TRP CB C -6.097 -4.086 -2.333 . . . 1.0 . . . . . . . . . . . . A . 4 TRP CB . . . . . . . . . rr_2dx3 1 . 2 . 354 . 1 1 4 TRP CD1 C -6.892 -5.283 -4.477 . . . 1.0 . . . . . . . . . . . . A . 4 TRP CD1 . . . . . . . . . rr_2dx3 1 . 2 . 355 . 1 1 4 TRP CD2 C -5.278 -3.812 -4.845 . . . 1.0 . . . . . . . . . . . . A . 4 TRP CD2 . . . . . . . . . rr_2dx3 1 . 2 . 356 . 1 1 4 TRP CE2 C -5.607 -4.374 -6.061 . . . 1.0 . . . . . . . . . . . . A . 4 TRP CE2 . . . . . . . . . rr_2dx3 1 . 2 . 357 . 1 1 4 TRP CE3 C -4.276 -2.831 -4.739 . . . 1.0 . . . . . . . . . . . . A . 4 TRP CE3 . . . . . . . . . rr_2dx3 1 . 2 . 358 . 1 1 4 TRP CG C -6.114 -4.406 -3.829 . . . 1.0 . . . . . . . . . . . . A . 4 TRP CG . . . . . . . . . rr_2dx3 1 . 2 . 359 . 1 1 4 TRP CH2 C -3.982 -3.046 -7.182 . . . 1.0 . . . . . . . . . . . . A . 4 TRP CH2 . . . . . . . . . rr_2dx3 1 . 2 . 360 . 1 1 4 TRP CZ2 C -4.984 -4.021 -7.263 . . . 1.0 . . . . . . . . . . . . A . 4 TRP CZ2 . . . . . . . . . rr_2dx3 1 . 2 . 361 . 1 1 4 TRP CZ3 C -3.662 -2.489 -5.950 . . . 1.0 . . . . . . . . . . . . A . 4 TRP CZ3 . . . . . . . . . rr_2dx3 1 . 2 . 362 . 1 1 4 TRP H H -5.119 -6.209 -1.224 . . . 1.0 . . . . . . . . . . . . A . 4 TRP H . . . . . . . . . rr_2dx3 1 . 2 . 363 . 1 1 4 TRP HA H -3.998 -3.781 -2.377 . . . 1.0 . . . . . . . . . . . . A . 4 TRP HA . . . . . . . . . rr_2dx3 1 . 2 . 364 . 1 1 4 TRP HB2 H -6.793 -4.752 -1.822 . . . 1.0 . . . . . . . . . . . . A . 4 TRP HB2 . . . . . . . . . rr_2dx3 1 . 2 . 365 . 1 1 4 TRP HB3 H -6.462 -3.070 -2.185 . . . 1.0 . . . . . . . . . . . . A . 4 TRP HB3 . . . . . . . . . rr_2dx3 1 . 2 . 366 . 1 1 4 TRP HD1 H -7.646 -5.907 -3.996 . . . 1.0 . . . . . . . . . . . . A . 4 TRP HD1 . . . . . . . . . rr_2dx3 1 . 2 . 367 . 1 1 4 TRP HE1 H -7.110 -5.919 -6.580 . . . 1.0 . . . . . . . . . . . . A . 4 TRP HE1 . . . . . . . . . rr_2dx3 1 . 2 . 368 . 1 1 4 TRP HE3 H -3.997 -2.371 -3.791 . . . 1.0 . . . . . . . . . . . . A . 4 TRP HE3 . . . . . . . . . rr_2dx3 1 . 2 . 369 . 1 1 4 TRP HH2 H -3.457 -2.726 -8.082 . . . 1.0 . . . . . . . . . . . . A . 4 TRP HH2 . . . . . . . . . rr_2dx3 1 . 2 . 370 . 1 1 4 TRP HZ2 H -5.262 -4.481 -8.211 . . . 1.0 . . . . . . . . . . . . A . 4 TRP HZ2 . . . . . . . . . rr_2dx3 1 . 2 . 371 . 1 1 4 TRP HZ3 H -2.877 -1.733 -5.925 . . . 1.0 . . . . . . . . . . . . A . 4 TRP HZ3 . . . . . . . . . rr_2dx3 1 . 2 . 372 . 1 1 4 TRP N N -4.362 -5.613 -1.494 . . . 1.0 . . . . . . . . . . . . A . 4 TRP N . . . . . . . . . rr_2dx3 1 . 2 . 373 . 1 1 4 TRP NE1 N -6.621 -5.298 -5.830 . . . 1.0 . . . . . . . . . . . . A . 4 TRP NE1 . . . . . . . . . rr_2dx3 1 . 2 . 374 . 1 1 4 TRP O O -4.262 -2.345 -0.252 . . . 1.0 . . . . . . . . . . . . A . 4 TRP O . . . . . . . . . rr_2dx3 1 . 2 . 375 . 1 1 5 LEU C C -3.559 -4.018 2.683 . . . 1.0 . . . . . . . . . . . . A . 5 LEU C . . . . . . . . . rr_2dx3 1 . 2 . 376 . 1 1 5 LEU CA C -4.928 -3.730 2.064 . . . 1.0 . . . . . . . . . . . . A . 5 LEU CA . . . . . . . . . rr_2dx3 1 . 2 . 377 . 1 1 5 LEU CB C -6.101 -4.268 2.886 . . . 1.0 . . . . . . . . . . . . A . 5 LEU CB . . . . . . . . . rr_2dx3 1 . 2 . 378 . 1 1 5 LEU CD1 C -7.504 -2.965 1.247 . . . 1.0 . . . . . . . . . . . . A . 5 LEU CD1 . . . . . . . . . rr_2dx3 1 . 2 . 379 . 1 1 5 LEU CD2 C -7.965 -5.427 1.645 . . . 1.0 . . . . . . . . . . . . A . 5 LEU CD2 . . . . . . . . . rr_2dx3 1 . 2 . 380 . 1 1 5 LEU CG C -7.488 -4.110 2.261 . . . 1.0 . . . . . . . . . . . . A . 5 LEU CG . . . . . . . . . rr_2dx3 1 . 2 . 381 . 1 1 5 LEU H H -5.263 -5.217 0.644 . . . 1.0 . . . . . . . . . . . . A . 5 LEU H . . . . . . . . . rr_2dx3 1 . 2 . 382 . 1 1 5 LEU HA H -5.054 -2.650 1.991 . . . 1.0 . . . . . . . . . . . . A . 5 LEU HA . . . . . . . . . rr_2dx3 1 . 2 . 383 . 1 1 5 LEU HB2 H -5.929 -5.328 3.078 . . . 1.0 . . . . . . . . . . . . A . 5 LEU HB2 . . . . . . . . . rr_2dx3 1 . 2 . 384 . 1 1 5 LEU HB3 H -6.101 -3.766 3.854 . . . 1.0 . . . . . . . . . . . . A . 5 LEU HB3 . . . . . . . . . rr_2dx3 1 . 2 . 385 . 1 1 5 LEU HD11 H -6.971 -2.108 1.658 . . . 1.0 . . . . . . . . . . . . A . 5 LEU HD11 . . . . . . . . . rr_2dx3 1 . 2 . 386 . 1 1 5 LEU HD12 H -7.019 -3.288 0.326 . . . 1.0 . . . . . . . . . . . . A . 5 LEU HD12 . . . . . . . . . rr_2dx3 1 . 2 . 387 . 1 1 5 LEU HD13 H -8.536 -2.682 1.034 . . . 1.0 . . . . . . . . . . . . A . 5 LEU HD13 . . . . . . . . . rr_2dx3 1 . 2 . 388 . 1 1 5 LEU HD21 H -7.143 -5.895 1.104 . . . 1.0 . . . . . . . . . . . . A . 5 LEU HD21 . . . . . . . . . rr_2dx3 1 . 2 . 389 . 1 1 5 LEU HD22 H -8.306 -6.095 2.437 . . . 1.0 . . . . . . . . . . . . A . 5 LEU HD22 . . . . . . . . . rr_2dx3 1 . 2 . 390 . 1 1 5 LEU HD23 H -8.787 -5.230 0.957 . . . 1.0 . . . . . . . . . . . . A . 5 LEU HD23 . . . . . . . . . rr_2dx3 1 . 2 . 391 . 1 1 5 LEU HG H -8.192 -3.850 3.051 . . . 1.0 . . . . . . . . . . . . A . 5 LEU HG . . . . . . . . . rr_2dx3 1 . 2 . 392 . 1 1 5 LEU N N -4.967 -4.265 0.713 . . . 1.0 . . . . . . . . . . . . A . 5 LEU N . . . . . . . . . rr_2dx3 1 . 2 . 393 . 1 1 5 LEU O O -3.446 -4.191 3.895 . . . 1.0 . . . . . . . . . . . . A . 5 LEU O . . . . . . . . . rr_2dx3 1 . 2 . 394 . 1 1 6 ALA C C -0.211 -3.597 1.353 . . . 1.0 . . . . . . . . . . . . A . 6 ALA C . . . . . . . . . rr_2dx3 1 . 2 . 395 . 1 1 6 ALA CA C -1.196 -4.326 2.269 . . . 1.0 . . . . . . . . . . . . A . 6 ALA CA . . . . . . . . . rr_2dx3 1 . 2 . 396 . 1 1 6 ALA CB C -0.954 -5.836 2.301 . . . 1.0 . . . . . . . . . . . . A . 6 ALA CB . . . . . . . . . rr_2dx3 1 . 2 . 397 . 1 1 6 ALA H H -2.654 -3.920 0.837 . . . 1.0 . . . . . . . . . . . . A . 6 ALA H . . . . . . . . . rr_2dx3 1 . 2 . 398 . 1 1 6 ALA HA H -1.098 -3.933 3.281 . . . 1.0 . . . . . . . . . . . . A . 6 ALA HA . . . . . . . . . rr_2dx3 1 . 2 . 399 . 1 1 6 ALA HB1 H -0.153 -6.091 1.607 . . . 1.0 . . . . . . . . . . . . A . 6 ALA HB1 . . . . . . . . . rr_2dx3 1 . 2 . 400 . 1 1 6 ALA HB2 H -0.670 -6.137 3.310 . . . 1.0 . . . . . . . . . . . . A . 6 ALA HB2 . . . . . . . . . rr_2dx3 1 . 2 . 401 . 1 1 6 ALA HB3 H -1.866 -6.357 2.010 . . . 1.0 . . . . . . . . . . . . A . 6 ALA HB3 . . . . . . . . . rr_2dx3 1 . 2 . 402 . 1 1 6 ALA N N -2.553 -4.062 1.822 . . . 1.0 . . . . . . . . . . . . A . 6 ALA N . . . . . . . . . rr_2dx3 1 . 2 . 403 . 1 1 6 ALA O O 0.713 -2.938 1.828 . . . 1.0 . . . . . . . . . . . . A . 6 ALA O . . . . . . . . . rr_2dx3 1 . 2 . 404 . 1 1 7 HIS C C -0.073 -1.675 -1.187 . . . 1.0 . . . . . . . . . . . . A . 7 HIS C . . . . . . . . . rr_2dx3 1 . 2 . 405 . 1 1 7 HIS CA C 0.414 -3.102 -0.931 . . . 1.0 . . . . . . . . . . . . A . 7 HIS CA . . . . . . . . . rr_2dx3 1 . 2 . 406 . 1 1 7 HIS CB C 0.489 -3.942 -2.208 . . . 1.0 . . . . . . . . . . . . A . 7 HIS CB . . . . . . . . . rr_2dx3 1 . 2 . 407 . 1 1 7 HIS CD2 C 1.340 -6.009 -0.853 . . . 1.0 . . . . . . . . . . . . A . 7 HIS CD2 . . . . . . . . . rr_2dx3 1 . 2 . 408 . 1 1 7 HIS CE1 C 1.824 -7.311 -2.543 . . . 1.0 . . . . . . . . . . . . A . 7 HIS CE1 . . . . . . . . . rr_2dx3 1 . 2 . 409 . 1 1 7 HIS CG C 1.046 -5.330 -1.999 . . . 1.0 . . . . . . . . . . . . A . 7 HIS CG . . . . . . . . . rr_2dx3 1 . 2 . 410 . 1 1 7 HIS H H -1.195 -4.276 -0.322 . . . 1.0 . . . . . . . . . . . . A . 7 HIS H . . . . . . . . . rr_2dx3 1 . 2 . 411 . 1 1 7 HIS HA H 1.414 -3.064 -0.499 . . . 1.0 . . . . . . . . . . . . A . 7 HIS HA . . . . . . . . . rr_2dx3 1 . 2 . 412 . 1 1 7 HIS HB2 H -0.510 -4.023 -2.636 . . . 1.0 . . . . . . . . . . . . A . 7 HIS HB2 . . . . . . . . . rr_2dx3 1 . 2 . 413 . 1 1 7 HIS HB3 H 1.107 -3.419 -2.938 . . . 1.0 . . . . . . . . . . . . A . 7 HIS HB3 . . . . . . . . . rr_2dx3 1 . 2 . 414 . 1 1 7 HIS HD1 H 1.260 -5.967 -4.019 . . . 1.0 . . . . . . . . . . . . A . 7 HIS HD1 . . . . . . . . . rr_2dx3 1 . 2 . 415 . 1 1 7 HIS HD2 H 1.211 -5.632 0.162 . . . 1.0 . . . . . . . . . . . . A . 7 HIS HD2 . . . . . . . . . rr_2dx3 1 . 2 . 416 . 1 1 7 HIS HE1 H 2.158 -8.177 -3.115 . . . 1.0 . . . . . . . . . . . . A . 7 HIS HE1 . . . . . . . . . rr_2dx3 1 . 2 . 417 . 1 1 7 HIS HE2 H 2.155 -7.891 -0.543 . . . 1.0 . . . . . . . . . . . . A . 7 HIS HE2 . . . . . . . . . rr_2dx3 1 . 2 . 418 . 1 1 7 HIS N N -0.442 -3.739 0.056 . . . 1.0 . . . . . . . . . . . . A . 7 HIS N . . . . . . . . . rr_2dx3 1 . 2 . 419 . 1 1 7 HIS ND1 N 1.362 -6.176 -3.047 . . . 1.0 . . . . . . . . . . . . A . 7 HIS ND1 . . . . . . . . . rr_2dx3 1 . 2 . 420 . 1 1 7 HIS NE2 N 1.809 -7.206 -1.183 . . . 1.0 . . . . . . . . . . . . A . 7 HIS NE2 . . . . . . . . . rr_2dx3 1 . 2 . 421 . 1 1 7 HIS O O 0.726 -0.785 -1.476 . . . 1.0 . . . . . . . . . . . . A . 7 HIS O . . . . . . . . . rr_2dx3 1 . 2 . 422 . 1 1 8 ALA C C -1.836 0.646 -0.019 . . . 1.0 . . . . . . . . . . . . A . 8 ALA C . . . . . . . . . rr_2dx3 1 . 2 . 423 . 1 1 8 ALA CA C -1.984 -0.196 -1.288 . . . 1.0 . . . . . . . . . . . . A . 8 ALA CA . . . . . . . . . rr_2dx3 1 . 2 . 424 . 1 1 8 ALA CB C -3.445 -0.371 -1.705 . . . 1.0 . . . . . . . . . . . . A . 8 ALA CB . . . . . . . . . rr_2dx3 1 . 2 . 425 . 1 1 8 ALA H H -2.024 -2.229 -0.837 . . . 1.0 . . . . . . . . . . . . A . 8 ALA H . . . . . . . . . rr_2dx3 1 . 2 . 426 . 1 1 8 ALA HA H -1.443 0.290 -2.100 . . . 1.0 . . . . . . . . . . . . A . 8 ALA HA . . . . . . . . . rr_2dx3 1 . 2 . 427 . 1 1 8 ALA HB1 H -3.697 0.367 -2.466 . . . 1.0 . . . . . . . . . . . . A . 8 ALA HB1 . . . . . . . . . rr_2dx3 1 . 2 . 428 . 1 1 8 ALA HB2 H -3.591 -1.373 -2.107 . . . 1.0 . . . . . . . . . . . . A . 8 ALA HB2 . . . . . . . . . rr_2dx3 1 . 2 . 429 . 1 1 8 ALA HB3 H -4.090 -0.231 -0.837 . . . 1.0 . . . . . . . . . . . . A . 8 ALA HB3 . . . . . . . . . rr_2dx3 1 . 2 . 430 . 1 1 8 ALA N N -1.381 -1.500 -1.072 . . . 1.0 . . . . . . . . . . . . A . 8 ALA N . . . . . . . . . rr_2dx3 1 . 2 . 431 . 1 1 8 ALA O O -2.131 1.840 -0.023 . . . 1.0 . . . . . . . . . . . . A . 8 ALA O . . . . . . . . . rr_2dx3 1 . 2 . 432 . 1 1 9 LYS C C 0.298 0.960 2.510 . . . 1.0 . . . . . . . . . . . . A . 9 LYS C . . . . . . . . . rr_2dx3 1 . 2 . 433 . 1 1 9 LYS CA C -1.190 0.663 2.312 . . . 1.0 . . . . . . . . . . . . A . 9 LYS CA . . . . . . . . . rr_2dx3 1 . 2 . 434 . 1 1 9 LYS CB C -1.811 -0.154 3.447 . . . 1.0 . . . . . . . . . . . . A . 9 LYS CB . . . . . . . . . rr_2dx3 1 . 2 . 435 . 1 1 9 LYS CD C -2.852 0.257 5.707 . . . 1.0 . . . . . . . . . . . . A . 9 LYS CD . . . . . . . . . rr_2dx3 1 . 2 . 436 . 1 1 9 LYS CE C -4.146 0.717 6.382 . . . 1.0 . . . . . . . . . . . . A . 9 LYS CE . . . . . . . . . rr_2dx3 1 . 2 . 437 . 1 1 9 LYS CG C -2.819 0.682 4.238 . . . 1.0 . . . . . . . . . . . . A . 9 LYS CG . . . . . . . . . rr_2dx3 1 . 2 . 438 . 1 1 9 LYS H H -1.143 -0.982 1.034 . . . 1.0 . . . . . . . . . . . . A . 9 LYS H . . . . . . . . . rr_2dx3 1 . 2 . 439 . 1 1 9 LYS HA H -1.728 1.609 2.265 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HA . . . . . . . . . rr_2dx3 1 . 2 . 440 . 1 1 9 LYS HB2 H -2.305 -1.036 3.039 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HB2 . . . . . . . . . rr_2dx3 1 . 2 . 441 . 1 1 9 LYS HB3 H -1.026 -0.511 4.115 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HB3 . . . . . . . . . rr_2dx3 1 . 2 . 442 . 1 1 9 LYS HD2 H -2.766 -0.827 5.778 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HD2 . . . . . . . . . rr_2dx3 1 . 2 . 443 . 1 1 9 LYS HD3 H -1.994 0.680 6.231 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HD3 . . . . . . . . . rr_2dx3 1 . 2 . 444 . 1 1 9 LYS HE2 H -4.036 0.665 7.465 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HE2 . . . . . . . . . rr_2dx3 1 . 2 . 445 . 1 1 9 LYS HE3 H -4.343 1.760 6.131 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HE3 . . . . . . . . . rr_2dx3 1 . 2 . 446 . 1 1 9 LYS HG2 H -2.556 1.738 4.166 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HG2 . . . . . . . . . rr_2dx3 1 . 2 . 447 . 1 1 9 LYS HG3 H -3.811 0.571 3.801 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HG3 . . . . . . . . . rr_2dx3 1 . 2 . 448 . 1 1 9 LYS HZ1 H -6.140 0.368 6.099 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HZ1 . . . . . . . . . rr_2dx3 1 . 2 . 449 . 1 1 9 LYS HZ2 H -5.187 -0.344 4.980 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HZ2 . . . . . . . . . rr_2dx3 1 . 2 . 450 . 1 1 9 LYS HZ3 H -5.290 -0.973 6.484 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HZ3 . . . . . . . . . rr_2dx3 1 . 2 . 451 . 1 1 9 LYS N N -1.380 -0.010 1.038 . . . 1.0 . . . . . . . . . . . . A . 9 LYS N . . . . . . . . . rr_2dx3 1 . 2 . 452 . 1 1 9 LYS NZ N -5.283 -0.126 5.951 . . . 1.0 . . . . . . . . . . . . A . 9 LYS NZ . . . . . . . . . rr_2dx3 1 . 2 . 453 . 1 1 9 LYS O O 0.663 2.046 2.957 . . . 1.0 . . . . . . . . . . . . A . 9 LYS O . . . . . . . . . rr_2dx3 1 . 2 . 454 . 1 1 10 ALA C C 3.131 0.680 1.001 . . . 1.0 . . . . . . . . . . . . A . 10 ALA C . . . . . . . . . rr_2dx3 1 . 2 . 455 . 1 1 10 ALA CA C 2.555 0.117 2.302 . . . 1.0 . . . . . . . . . . . . A . 10 ALA CA . . . . . . . . . rr_2dx3 1 . 2 . 456 . 1 1 10 ALA CB C 3.169 -1.233 2.676 . . . 1.0 . . . . . . . . . . . . A . 10 ALA CB . . . . . . . . . rr_2dx3 1 . 2 . 457 . 1 1 10 ALA H H 0.810 -0.905 1.805 . . . 1.0 . . . . . . . . . . . . A . 10 ALA H . . . . . . . . . rr_2dx3 1 . 2 . 458 . 1 1 10 ALA HA H 2.745 0.825 3.110 . . . 1.0 . . . . . . . . . . . . A . 10 ALA HA . . . . . . . . . rr_2dx3 1 . 2 . 459 . 1 1 10 ALA HB1 H 3.787 -1.117 3.566 . . . 1.0 . . . . . . . . . . . . A . 10 ALA HB1 . . . . . . . . . rr_2dx3 1 . 2 . 460 . 1 1 10 ALA HB2 H 2.374 -1.951 2.877 . . . 1.0 . . . . . . . . . . . . A . 10 ALA HB2 . . . . . . . . . rr_2dx3 1 . 2 . 461 . 1 1 10 ALA HB3 H 3.784 -1.593 1.851 . . . 1.0 . . . . . . . . . . . . A . 10 ALA HB3 . . . . . . . . . rr_2dx3 1 . 2 . 462 . 1 1 10 ALA N N 1.116 -0.025 2.168 . . . 1.0 . . . . . . . . . . . . A . 10 ALA N . . . . . . . . . rr_2dx3 1 . 2 . 463 . 1 1 10 ALA O O 4.087 1.454 1.025 . . . 1.0 . . . . . . . . . . . . A . 10 ALA O . . . . . . . . . rr_2dx3 1 . 2 . 464 . 1 1 11 GLY C C 2.391 2.101 -1.737 . . . 1.0 . . . . . . . . . . . . A . 11 GLY C . . . . . . . . . rr_2dx3 1 . 2 . 465 . 1 1 11 GLY CA C 2.967 0.722 -1.411 . . . 1.0 . . . . . . . . . . . . A . 11 GLY CA . . . . . . . . . rr_2dx3 1 . 2 . 466 . 1 1 11 GLY H H 1.750 -0.361 -0.114 . . . 1.0 . . . . . . . . . . . . A . 11 GLY H . . . . . . . . . rr_2dx3 1 . 2 . 467 . 1 1 11 GLY HA2 H 4.056 0.763 -1.438 . . . 1.0 . . . . . . . . . . . . A . 11 GLY HA2 . . . . . . . . . rr_2dx3 1 . 2 . 468 . 1 1 11 GLY HA3 H 2.657 0.005 -2.172 . . . 1.0 . . . . . . . . . . . . A . 11 GLY HA3 . . . . . . . . . rr_2dx3 1 . 2 . 469 . 1 1 11 GLY N N 2.526 0.269 -0.103 . . . 1.0 . . . . . . . . . . . . A . 11 GLY N . . . . . . . . . rr_2dx3 1 . 2 . 470 . 1 1 11 GLY O O 2.520 2.582 -2.861 . . . 1.0 . . . . . . . . . . . . A . 11 GLY O . . . . . . . . . rr_2dx3 1 . 2 . 471 . 1 1 12 TYR C C 2.191 5.118 -0.608 . . . 1.0 . . . . . . . . . . . . A . 12 TYR C . . . . . . . . . rr_2dx3 1 . 2 . 472 . 1 1 12 TYR CA C 1.172 4.014 -0.897 . . . 1.0 . . . . . . . . . . . . A . 12 TYR CA . . . . . . . . . rr_2dx3 1 . 2 . 473 . 1 1 12 TYR CB C 0.042 4.097 0.132 . . . 1.0 . . . . . . . . . . . . A . 12 TYR CB . . . . . . . . . rr_2dx3 1 . 2 . 474 . 1 1 12 TYR CD1 C 1.620 4.242 2.093 . . . 1.0 . . . . . . . . . . . . A . 12 TYR CD1 . . . . . . . . . rr_2dx3 1 . 2 . 475 . 1 1 12 TYR CD2 C -0.299 5.667 2.075 . . . 1.0 . . . . . . . . . . . . A . 12 TYR CD2 . . . . . . . . . rr_2dx3 1 . 2 . 476 . 1 1 12 TYR CE1 C 2.021 4.799 3.359 . . . 1.0 . . . . . . . . . . . . A . 12 TYR CE1 . . . . . . . . . rr_2dx3 1 . 2 . 477 . 1 1 12 TYR CE2 C 0.102 6.224 3.341 . . . 1.0 . . . . . . . . . . . . A . 12 TYR CE2 . . . . . . . . . rr_2dx3 1 . 2 . 478 . 1 1 12 TYR CG C 0.468 4.688 1.477 . . . 1.0 . . . . . . . . . . . . A . 12 TYR CG . . . . . . . . . rr_2dx3 1 . 2 . 479 . 1 1 12 TYR CZ C 1.242 5.762 3.921 . . . 1.0 . . . . . . . . . . . . A . 12 TYR CZ . . . . . . . . . rr_2dx3 1 . 2 . 480 . 1 1 12 TYR H H 1.667 2.301 0.180 . . . 1.0 . . . . . . . . . . . . A . 12 TYR H . . . . . . . . . rr_2dx3 1 . 2 . 481 . 1 1 12 TYR HA H 0.833 4.103 -1.929 . . . 1.0 . . . . . . . . . . . . A . 12 TYR HA . . . . . . . . . rr_2dx3 1 . 2 . 482 . 1 1 12 TYR HB2 H -0.766 4.701 -0.279 . . . 1.0 . . . . . . . . . . . . A . 12 TYR HB2 . . . . . . . . . rr_2dx3 1 . 2 . 483 . 1 1 12 TYR HB3 H -0.359 3.097 0.297 . . . 1.0 . . . . . . . . . . . . A . 12 TYR HB3 . . . . . . . . . rr_2dx3 1 . 2 . 484 . 1 1 12 TYR HD1 H 2.226 3.469 1.621 . . . 1.0 . . . . . . . . . . . . A . 12 TYR HD1 . . . . . . . . . rr_2dx3 1 . 2 . 485 . 1 1 12 TYR HD2 H -1.209 6.019 1.588 . . . 1.0 . . . . . . . . . . . . A . 12 TYR HD2 . . . . . . . . . rr_2dx3 1 . 2 . 486 . 1 1 12 TYR HE1 H 2.928 4.455 3.857 . . . 1.0 . . . . . . . . . . . . A . 12 TYR HE1 . . . . . . . . . rr_2dx3 1 . 2 . 487 . 1 1 12 TYR HE2 H -0.495 6.997 3.824 . . . 1.0 . . . . . . . . . . . . A . 12 TYR HE2 . . . . . . . . . rr_2dx3 1 . 2 . 488 . 1 1 12 TYR HH H 1.038 5.930 5.847 . . . 1.0 . . . . . . . . . . . . A . 12 TYR HH . . . . . . . . . rr_2dx3 1 . 2 . 489 . 1 1 12 TYR N N 1.768 2.699 -0.732 . . . 1.0 . . . . . . . . . . . . A . 12 TYR N . . . . . . . . . rr_2dx3 1 . 2 . 490 . 1 1 12 TYR O O 1.816 6.247 -0.297 . . . 1.0 . . . . . . . . . . . . A . 12 TYR O . . . . . . . . . rr_2dx3 1 . 2 . 491 . 1 1 12 TYR OH O 1.620 6.287 5.117 . . . 1.0 . . . . . . . . . . . . A . 12 TYR OH . . . . . . . . . rr_2dx3 1 . 2 . 492 . 1 1 13 ILE C C 4.932 6.365 -1.796 . . . 1.0 . . . . . . . . . . . . A . 13 ILE C . . . . . . . . . rr_2dx3 1 . 2 . 493 . 1 1 13 ILE CA C 4.535 5.699 -0.477 . . . 1.0 . . . . . . . . . . . . A . 13 ILE CA . . . . . . . . . rr_2dx3 1 . 2 . 494 . 1 1 13 ILE CB C 5.699 5.012 0.241 . . . 1.0 . . . . . . . . . . . . A . 13 ILE CB . . . . . . . . . rr_2dx3 1 . 2 . 495 . 1 1 13 ILE CD1 C 5.871 2.985 -1.249 . . . 1.0 . . . . . . . . . . . . A . 13 ILE CD1 . . . . . . . . . rr_2dx3 1 . 2 . 496 . 1 1 13 ILE CG1 C 6.578 4.246 -0.749 . . . 1.0 . . . . . . . . . . . . A . 13 ILE CG1 . . . . . . . . . rr_2dx3 1 . 2 . 497 . 1 1 13 ILE CG2 C 5.193 4.114 1.371 . . . 1.0 . . . . . . . . . . . . A . 13 ILE CG2 . . . . . . . . . rr_2dx3 1 . 2 . 498 . 1 1 13 ILE H H 3.756 3.832 -0.976 . . . 1.0 . . . . . . . . . . . . A . 13 ILE H . . . . . . . . . rr_2dx3 1 . 2 . 499 . 1 1 13 ILE HA H 4.149 6.465 0.195 . . . 1.0 . . . . . . . . . . . . A . 13 ILE HA . . . . . . . . . rr_2dx3 1 . 2 . 500 . 1 1 13 ILE HB H 6.321 5.783 0.696 . . . 1.0 . . . . . . . . . . . . A . 13 ILE HB . . . . . . . . . rr_2dx3 1 . 2 . 501 . 1 1 13 ILE HD11 H 6.612 2.219 -1.478 . . . 1.0 . . . . . . . . . . . . A . 13 ILE HD11 . . . . . . . . . rr_2dx3 1 . 2 . 502 . 1 1 13 ILE HD12 H 5.195 2.617 -0.477 . . . 1.0 . . . . . . . . . . . . A . 13 ILE HD12 . . . . . . . . . rr_2dx3 1 . 2 . 503 . 1 1 13 ILE HD13 H 5.302 3.220 -2.149 . . . 1.0 . . . . . . . . . . . . A . 13 ILE HD13 . . . . . . . . . rr_2dx3 1 . 2 . 504 . 1 1 13 ILE HG12 H 6.825 4.889 -1.595 . . . 1.0 . . . . . . . . . . . . A . 13 ILE HG12 . . . . . . . . . rr_2dx3 1 . 2 . 505 . 1 1 13 ILE HG13 H 7.519 3.975 -0.271 . . . 1.0 . . . . . . . . . . . . A . 13 ILE HG13 . . . . . . . . . rr_2dx3 1 . 2 . 506 . 1 1 13 ILE HG21 H 5.738 3.170 1.357 . . . 1.0 . . . . . . . . . . . . A . 13 ILE HG21 . . . . . . . . . rr_2dx3 1 . 2 . 507 . 1 1 13 ILE HG22 H 5.352 4.611 2.329 . . . 1.0 . . . . . . . . . . . . A . 13 ILE HG22 . . . . . . . . . rr_2dx3 1 . 2 . 508 . 1 1 13 ILE HG23 H 4.129 3.922 1.234 . . . 1.0 . . . . . . . . . . . . A . 13 ILE HG23 . . . . . . . . . rr_2dx3 1 . 2 . 509 . 1 1 13 ILE N N 3.459 4.753 -0.722 . . . 1.0 . . . . . . . . . . . . A . 13 ILE N . . . . . . . . . rr_2dx3 1 . 2 . 510 . 1 1 13 ILE O O 5.903 7.118 -1.847 . . . 1.0 . . . . . . . . . . . . A . 13 ILE O . . . . . . . . . rr_2dx3 1 . 2 . 511 . 1 1 14 VAL C C 3.874 8.050 -4.205 . . . 1.0 . . . . . . . . . . . . A . 14 VAL C . . . . . . . . . rr_2dx3 1 . 2 . 512 . 1 1 14 VAL CA C 4.422 6.623 -4.146 . . . 1.0 . . . . . . . . . . . . A . 14 VAL CA . . . . . . . . . rr_2dx3 1 . 2 . 513 . 1 1 14 VAL CB C 3.836 5.713 -5.227 . . . 1.0 . . . . . . . . . . . . A . 14 VAL CB . . . . . . . . . rr_2dx3 1 . 2 . 514 . 1 1 14 VAL CG1 C 3.901 6.382 -6.601 . . . 1.0 . . . . . . . . . . . . A . 14 VAL CG1 . . . . . . . . . rr_2dx3 1 . 2 . 515 . 1 1 14 VAL CG2 C 4.543 4.356 -5.244 . . . 1.0 . . . . . . . . . . . . A . 14 VAL CG2 . . . . . . . . . rr_2dx3 1 . 2 . 516 . 1 1 14 VAL H H 3.374 5.449 -2.780 . . . 1.0 . . . . . . . . . . . . A . 14 VAL H . . . . . . . . . rr_2dx3 1 . 2 . 517 . 1 1 14 VAL HA H 5.503 6.656 -4.281 . . . 1.0 . . . . . . . . . . . . A . 14 VAL HA . . . . . . . . . rr_2dx3 1 . 2 . 518 . 1 1 14 VAL HB H 2.787 5.540 -4.988 . . . 1.0 . . . . . . . . . . . . A . 14 VAL HB . . . . . . . . . rr_2dx3 1 . 2 . 519 . 1 1 14 VAL HG11 H 4.769 7.039 -6.645 . . . 1.0 . . . . . . . . . . . . A . 14 VAL HG11 . . . . . . . . . rr_2dx3 1 . 2 . 520 . 1 1 14 VAL HG12 H 3.984 5.618 -7.374 . . . 1.0 . . . . . . . . . . . . A . 14 VAL HG12 . . . . . . . . . rr_2dx3 1 . 2 . 521 . 1 1 14 VAL HG13 H 2.995 6.966 -6.764 . . . 1.0 . . . . . . . . . . . . A . 14 VAL HG13 . . . . . . . . . rr_2dx3 1 . 2 . 522 . 1 1 14 VAL HG21 H 3.804 3.560 -5.163 . . . 1.0 . . . . . . . . . . . . A . 14 VAL HG21 . . . . . . . . . rr_2dx3 1 . 2 . 523 . 1 1 14 VAL HG22 H 5.096 4.246 -6.177 . . . 1.0 . . . . . . . . . . . . A . 14 VAL HG22 . . . . . . . . . rr_2dx3 1 . 2 . 524 . 1 1 14 VAL HG23 H 5.235 4.296 -4.403 . . . 1.0 . . . . . . . . . . . . A . 14 VAL HG23 . . . . . . . . . rr_2dx3 1 . 2 . 525 . 1 1 14 VAL N N 4.162 6.063 -2.830 . . . 1.0 . . . . . . . . . . . . A . 14 VAL N . . . . . . . . . rr_2dx3 1 . 2 . 526 . 1 1 14 VAL O O 4.356 8.873 -4.981 . . . 1.0 . . . . . . . . . . . . A . 14 VAL O . . . . . . . . . rr_2dx3 1 . 2 . 527 . 1 1 15 HIS C C 2.517 10.252 -1.955 . . . 1.0 . . . . . . . . . . . . A . 15 HIS C . . . . . . . . . rr_2dx3 1 . 2 . 528 . 1 1 15 HIS CA C 2.254 9.614 -3.321 . . . 1.0 . . . . . . . . . . . . A . 15 HIS CA . . . . . . . . . rr_2dx3 1 . 2 . 529 . 1 1 15 HIS CB C 0.764 9.527 -3.658 . . . 1.0 . . . . . . . . . . . . A . 15 HIS CB . . . . . . . . . rr_2dx3 1 . 2 . 530 . 1 1 15 HIS CD2 C 0.291 7.032 -3.040 . . . 1.0 . . . . . . . . . . . . A . 15 HIS CD2 . . . . . . . . . rr_2dx3 1 . 2 . 531 . 1 1 15 HIS CE1 C -0.673 6.425 -4.908 . . . 1.0 . . . . . . . . . . . . A . 15 HIS CE1 . . . . . . . . . rr_2dx3 1 . 2 . 532 . 1 1 15 HIS CG C 0.263 8.118 -3.864 . . . 1.0 . . . . . . . . . . . . A . 15 HIS CG . . . . . . . . . rr_2dx3 1 . 2 . 533 . 1 1 15 HIS H H 2.486 7.626 -2.744 . . . 1.0 . . . . . . . . . . . . A . 15 HIS H . . . . . . . . . rr_2dx3 1 . 2 . 534 . 1 1 15 HIS HA H 2.734 10.217 -4.092 . . . 1.0 . . . . . . . . . . . . A . 15 HIS HA . . . . . . . . . rr_2dx3 1 . 2 . 535 . 1 1 15 HIS HB2 H 0.193 9.991 -2.854 . . . 1.0 . . . . . . . . . . . . A . 15 HIS HB2 . . . . . . . . . rr_2dx3 1 . 2 . 536 . 1 1 15 HIS HB3 H 0.572 10.106 -4.560 . . . 1.0 . . . . . . . . . . . . A . 15 HIS HB3 . . . . . . . . . rr_2dx3 1 . 2 . 537 . 1 1 15 HIS HD1 H -0.520 8.274 -5.838 . . . 1.0 . . . . . . . . . . . . A . 15 HIS HD1 . . . . . . . . . rr_2dx3 1 . 2 . 538 . 1 1 15 HIS HD2 H 0.708 7.007 -2.033 . . . 1.0 . . . . . . . . . . . . A . 15 HIS HD2 . . . . . . . . . rr_2dx3 1 . 2 . 539 . 1 1 15 HIS HE1 H -1.169 5.812 -5.660 . . . 1.0 . . . . . . . . . . . . A . 15 HIS HE1 . . . . . . . . . rr_2dx3 1 . 2 . 540 . 1 1 15 HIS HE2 H -0.340 5.076 -3.322 . . . 1.0 . . . . . . . . . . . . A . 15 HIS HE2 . . . . . . . . . rr_2dx3 1 . 2 . 541 . 1 1 15 HIS N N 2.873 8.301 -3.373 . . . 1.0 . . . . . . . . . . . . A . 15 HIS N . . . . . . . . . rr_2dx3 1 . 2 . 542 . 1 1 15 HIS ND1 N -0.350 7.704 -5.034 . . . 1.0 . . . . . . . . . . . . A . 15 HIS ND1 . . . . . . . . . rr_2dx3 1 . 2 . 543 . 1 1 15 HIS NE2 N -0.275 6.011 -3.671 . . . 1.0 . . . . . . . . . . . . A . 15 HIS NE2 . . . . . . . . . rr_2dx3 1 . 2 . 544 . 1 1 15 HIS O O 2.368 11.462 -1.791 . . . 1.0 . . . . . . . . . . . . A . 15 HIS O . . . . . . . . . rr_2dx3 1 . 2 . 545 . 1 1 16 TRP C C 4.623 10.405 0.361 . . . 1.0 . . . . . . . . . . . . A . 16 TRP C . . . . . . . . . rr_2dx3 1 . 2 . 546 . 1 1 16 TRP CA C 3.188 9.874 0.338 . . . 1.0 . . . . . . . . . . . . A . 16 TRP CA . . . . . . . . . rr_2dx3 1 . 2 . 547 . 1 1 16 TRP CB C 2.945 8.766 1.364 . . . 1.0 . . . . . . . . . . . . A . 16 TRP CB . . . . . . . . . rr_2dx3 1 . 2 . 548 . 1 1 16 TRP CD1 C 4.866 7.596 2.630 . . . 1.0 . . . . . . . . . . . . A . 16 TRP CD1 . . . . . . . . . rr_2dx3 1 . 2 . 549 . 1 1 16 TRP CD2 C 4.428 9.630 3.391 . . . 1.0 . . . . . . . . . . . . A . 16 TRP CD2 . . . . . . . . . rr_2dx3 1 . 2 . 550 . 1 1 16 TRP CE2 C 5.464 9.121 4.147 . . . 1.0 . . . . . . . . . . . . A . 16 TRP CE2 . . . . . . . . . rr_2dx3 1 . 2 . 551 . 1 1 16 TRP CE3 C 3.911 10.916 3.628 . . . 1.0 . . . . . . . . . . . . A . 16 TRP CE3 . . . . . . . . . rr_2dx3 1 . 2 . 552 . 1 1 16 TRP CG C 4.049 8.637 2.415 . . . 1.0 . . . . . . . . . . . . A . 16 TRP CG . . . . . . . . . rr_2dx3 1 . 2 . 553 . 1 1 16 TRP CH2 C 5.574 11.114 5.443 . . . 1.0 . . . . . . . . . . . . A . 16 TRP CH2 . . . . . . . . . rr_2dx3 1 . 2 . 554 . 1 1 16 TRP CZ2 C 6.073 9.830 5.189 . . . 1.0 . . . . . . . . . . . . A . 16 TRP CZ2 . . . . . . . . . rr_2dx3 1 . 2 . 555 . 1 1 16 TRP CZ3 C 4.530 11.612 4.673 . . . 1.0 . . . . . . . . . . . . A . 16 TRP CZ3 . . . . . . . . . rr_2dx3 1 . 2 . 556 . 1 1 16 TRP H H 3.022 8.426 -1.150 . . . 1.0 . . . . . . . . . . . . A . 16 TRP H . . . . . . . . . rr_2dx3 1 . 2 . 557 . 1 1 16 TRP HA H 2.490 10.678 0.567 . . . 1.0 . . . . . . . . . . . . A . 16 TRP HA . . . . . . . . . rr_2dx3 1 . 2 . 558 . 1 1 16 TRP HB2 H 1.997 8.954 1.869 . . . 1.0 . . . . . . . . . . . . A . 16 TRP HB2 . . . . . . . . . rr_2dx3 1 . 2 . 559 . 1 1 16 TRP HB3 H 2.843 7.815 0.840 . . . 1.0 . . . . . . . . . . . . A . 16 TRP HB3 . . . . . . . . . rr_2dx3 1 . 2 . 560 . 1 1 16 TRP HD1 H 4.844 6.670 2.056 . . . 1.0 . . . . . . . . . . . . A . 16 TRP HD1 . . . . . . . . . rr_2dx3 1 . 2 . 561 . 1 1 16 TRP HE1 H 6.504 7.166 4.046 . . . 1.0 . . . . . . . . . . . . A . 16 TRP HE1 . . . . . . . . . rr_2dx3 1 . 2 . 562 . 1 1 16 TRP HE3 H 3.093 11.340 3.045 . . . 1.0 . . . . . . . . . . . . A . 16 TRP HE3 . . . . . . . . . rr_2dx3 1 . 2 . 563 . 1 1 16 TRP HH2 H 6.004 11.720 6.241 . . . 1.0 . . . . . . . . . . . . A . 16 TRP HH2 . . . . . . . . . rr_2dx3 1 . 2 . 564 . 1 1 16 TRP HZ2 H 6.891 9.406 5.772 . . . 1.0 . . . . . . . . . . . . A . 16 TRP HZ2 . . . . . . . . . rr_2dx3 1 . 2 . 565 . 1 1 16 TRP HZ3 H 4.167 12.615 4.899 . . . 1.0 . . . . . . . . . . . . A . 16 TRP HZ3 . . . . . . . . . rr_2dx3 1 . 2 . 566 . 1 1 16 TRP N N 2.904 9.408 -1.009 . . . 1.0 . . . . . . . . . . . . A . 16 TRP N . . . . . . . . . rr_2dx3 1 . 2 . 567 . 1 1 16 TRP NE1 N 5.739 7.845 3.669 . . . 1.0 . . . . . . . . . . . . A . 16 TRP NE1 . . . . . . . . . rr_2dx3 1 . 2 . 568 . 1 1 16 TRP O O 4.842 11.614 0.300 . . . 1.0 . . . . . . . . . . . . A . 16 TRP O . . . . . . . . . rr_2dx3 1 . 2 . 569 . 1 1 17 THR C C 7.826 8.688 -0.060 . . . 1.0 . . . . . . . . . . . . A . 17 THR C . . . . . . . . . rr_2dx3 1 . 2 . 570 . 1 1 17 THR CA C 6.971 9.835 0.481 . . . 1.0 . . . . . . . . . . . . A . 17 THR CA . . . . . . . . . rr_2dx3 1 . 2 . 571 . 1 1 17 THR CB C 7.324 10.234 1.915 . . . 1.0 . . . . . . . . . . . . A . 17 THR CB . . . . . . . . . rr_2dx3 1 . 2 . 572 . 1 1 17 THR CG2 C 8.009 9.103 2.685 . . . 1.0 . . . . . . . . . . . . A . 17 THR CG2 . . . . . . . . . rr_2dx3 1 . 2 . 573 . 1 1 17 THR H H 5.376 8.494 0.498 . . . 1.0 . . . . . . . . . . . . A . 17 THR H . . . . . . . . . rr_2dx3 1 . 2 . 574 . 1 1 17 THR HA H 7.123 10.687 -0.182 . . . 1.0 . . . . . . . . . . . . A . 17 THR HA . . . . . . . . . rr_2dx3 1 . 2 . 575 . 1 1 17 THR HB H 6.443 10.590 2.448 . . . 1.0 . . . . . . . . . . . . A . 17 THR HB . . . . . . . . . rr_2dx3 1 . 2 . 576 . 1 1 17 THR HG1 H 7.934 12.116 1.613 . . . 1.0 . . . . . . . . . . . . A . 17 THR HG1 . . . . . . . . . rr_2dx3 1 . 2 . 577 . 1 1 17 THR HG21 H 7.605 8.144 2.359 . . . 1.0 . . . . . . . . . . . . A . 17 THR HG21 . . . . . . . . . rr_2dx3 1 . 2 . 578 . 1 1 17 THR HG22 H 9.082 9.129 2.491 . . . 1.0 . . . . . . . . . . . . A . 17 THR HG22 . . . . . . . . . rr_2dx3 1 . 2 . 579 . 1 1 17 THR HG23 H 7.829 9.229 3.752 . . . 1.0 . . . . . . . . . . . . A . 17 THR HG23 . . . . . . . . . rr_2dx3 1 . 2 . 580 . 1 1 17 THR N N 5.563 9.475 0.449 . . . 1.0 . . . . . . . . . . . . A . 17 THR N . . . . . . . . . rr_2dx3 1 . 2 . 581 . 1 1 17 THR O O 7.406 7.532 -0.039 . . . 1.0 . . . . . . . . . . . . A . 17 THR O . . . . . . . . . rr_2dx3 1 . 2 . 582 . 1 1 17 THR OG1 O 8.345 11.216 1.760 . . . 1.0 . . . . . . . . . . . . A . 17 THR OG1 . . . . . . . . . rr_2dx3 1 . 2 . 583 . 1 1 18 ALA C C 11.158 8.776 -1.645 . . . 1.0 . . . . . . . . . . . . A . 18 ALA C . . . . . . . . . rr_2dx3 1 . 2 . 584 . 1 1 18 ALA CA C 9.930 8.062 -1.077 . . . 1.0 . . . . . . . . . . . . A . 18 ALA CA . . . . . . . . . rr_2dx3 1 . 2 . 585 . 1 1 18 ALA CB C 9.208 7.217 -2.128 . . . 1.0 . . . . . . . . . . . . A . 18 ALA CB . . . . . . . . . rr_2dx3 1 . 2 . 586 . 1 1 18 ALA H H 9.345 9.990 -0.545 . . . 1.0 . . . . . . . . . . . . A . 18 ALA H . . . . . . . . . rr_2dx3 1 . 2 . 587 . 1 1 18 ALA HA H 10.243 7.413 -0.260 . . . 1.0 . . . . . . . . . . . . A . 18 ALA HA . . . . . . . . . rr_2dx3 1 . 2 . 588 . 1 1 18 ALA HB1 H 9.779 7.226 -3.057 . . . 1.0 . . . . . . . . . . . . A . 18 ALA HB1 . . . . . . . . . rr_2dx3 1 . 2 . 589 . 1 1 18 ALA HB2 H 9.114 6.193 -1.769 . . . 1.0 . . . . . . . . . . . . A . 18 ALA HB2 . . . . . . . . . rr_2dx3 1 . 2 . 590 . 1 1 18 ALA HB3 H 8.216 7.632 -2.309 . . . 1.0 . . . . . . . . . . . . A . 18 ALA HB3 . . . . . . . . . rr_2dx3 1 . 2 . 591 . 1 1 18 ALA N N 9.011 9.047 -0.532 . . . 1.0 . . . . . . . . . . . . A . 18 ALA N . . . . . . . . . rr_2dx3 1 . 2 . 592 . 1 1 18 ALA O O 11.775 9.594 -0.965 . . . 1.0 . . . . . . . . . . . . A . 18 ALA O . . . . . . . . . rr_2dx3 1 . 3 . 593 . 1 1 1 ILE C C -5.356 -10.057 2.667 . . . 1.0 . . . . . . . . . . . . A . 1 ILE C . . . . . . . . . rr_2dx3 1 . 3 . 594 . 1 1 1 ILE CA C -4.797 -10.263 4.077 . . . 1.0 . . . . . . . . . . . . A . 1 ILE CA . . . . . . . . . rr_2dx3 1 . 3 . 595 . 1 1 1 ILE CB C -3.324 -10.678 4.099 . . . 1.0 . . . . . . . . . . . . A . 1 ILE CB . . . . . . . . . rr_2dx3 1 . 3 . 596 . 1 1 1 ILE CD1 C -1.281 -9.695 5.201 . . . 1.0 . . . . . . . . . . . . A . 1 ILE CD1 . . . . . . . . . rr_2dx3 1 . 3 . 597 . 1 1 1 ILE CG1 C -2.411 -9.455 4.199 . . . 1.0 . . . . . . . . . . . . A . 1 ILE CG1 . . . . . . . . . rr_2dx3 1 . 3 . 598 . 1 1 1 ILE CG2 C -2.982 -11.552 2.891 . . . 1.0 . . . . . . . . . . . . A . 1 ILE CG2 . . . . . . . . . rr_2dx3 1 . 3 . 599 . 1 1 1 ILE H1 H -5.984 -10.929 5.653 . . . 1.0 . . . . . . . . . . . . A . 1 ILE H1 . . . . . . . . . rr_2dx3 1 . 3 . 600 . 1 1 1 ILE HA H -4.875 -9.322 4.620 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HA . . . . . . . . . rr_2dx3 1 . 3 . 601 . 1 1 1 ILE HB H -3.153 -11.281 4.991 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HB . . . . . . . . . rr_2dx3 1 . 3 . 602 . 1 1 1 ILE HD11 H -0.466 -10.227 4.710 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HD11 . . . . . . . . . rr_2dx3 1 . 3 . 603 . 1 1 1 ILE HD12 H -0.916 -8.737 5.573 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HD12 . . . . . . . . . rr_2dx3 1 . 3 . 604 . 1 1 1 ILE HD13 H -1.654 -10.290 6.034 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HD13 . . . . . . . . . rr_2dx3 1 . 3 . 605 . 1 1 1 ILE HG12 H -1.991 -9.229 3.219 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HG12 . . . . . . . . . rr_2dx3 1 . 3 . 606 . 1 1 1 ILE HG13 H -2.994 -8.585 4.503 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HG13 . . . . . . . . . rr_2dx3 1 . 3 . 607 . 1 1 1 ILE HG21 H -2.104 -12.156 3.116 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HG21 . . . . . . . . . rr_2dx3 1 . 3 . 608 . 1 1 1 ILE HG22 H -3.825 -12.206 2.665 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HG22 . . . . . . . . . rr_2dx3 1 . 3 . 609 . 1 1 1 ILE HG23 H -2.775 -10.916 2.030 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HG23 . . . . . . . . . rr_2dx3 1 . 3 . 610 . 1 1 1 ILE N N -5.612 -11.240 4.778 . . . 1.0 . . . . . . . . . . . . A . 1 ILE N . . . . . . . . . rr_2dx3 1 . 3 . 611 . 1 1 1 ILE O O -6.237 -10.796 2.231 . . . 1.0 . . . . . . . . . . . . A . 1 ILE O . . . . . . . . . rr_2dx3 1 . 3 . 612 . 1 1 2 ASN C C -4.139 -7.988 -0.086 . . . 1.0 . . . . . . . . . . . . A . 2 ASN C . . . . . . . . . rr_2dx3 1 . 3 . 613 . 1 1 2 ASN CA C -5.256 -8.736 0.644 . . . 1.0 . . . . . . . . . . . . A . 2 ASN CA . . . . . . . . . rr_2dx3 1 . 3 . 614 . 1 1 2 ASN CB C -6.495 -7.839 0.658 . . . 1.0 . . . . . . . . . . . . A . 2 ASN CB . . . . . . . . . rr_2dx3 1 . 3 . 615 . 1 1 2 ASN CG C -7.766 -8.655 0.414 . . . 1.0 . . . . . . . . . . . . A . 2 ASN CG . . . . . . . . . rr_2dx3 1 . 3 . 616 . 1 1 2 ASN H H -4.105 -8.452 2.357 . . . 1.0 . . . . . . . . . . . . A . 2 ASN H . . . . . . . . . rr_2dx3 1 . 3 . 617 . 1 1 2 ASN HA H -5.482 -9.699 0.186 . . . 1.0 . . . . . . . . . . . . A . 2 ASN HA . . . . . . . . . rr_2dx3 1 . 3 . 618 . 1 1 2 ASN HB2 H -6.566 -7.326 1.617 . . . 1.0 . . . . . . . . . . . . A . 2 ASN HB2 . . . . . . . . . rr_2dx3 1 . 3 . 619 . 1 1 2 ASN HB3 H -6.400 -7.069 -0.108 . . . 1.0 . . . . . . . . . . . . A . 2 ASN HB3 . . . . . . . . . rr_2dx3 1 . 3 . 620 . 1 1 2 ASN HD21 H -7.615 -9.366 2.303 . . . 1.0 . . . . . . . . . . . . A . 2 ASN HD21 . . . . . . . . . rr_2dx3 1 . 3 . 621 . 1 1 2 ASN HD22 H -8.968 -9.954 1.396 . . . 1.0 . . . . . . . . . . . . A . 2 ASN HD22 . . . . . . . . . rr_2dx3 1 . 3 . 622 . 1 1 2 ASN N N -4.821 -9.048 1.995 . . . 1.0 . . . . . . . . . . . . A . 2 ASN N . . . . . . . . . rr_2dx3 1 . 3 . 623 . 1 1 2 ASN ND2 N -8.148 -9.386 1.457 . . . 1.0 . . . . . . . . . . . . A . 2 ASN ND2 . . . . . . . . . rr_2dx3 1 . 3 . 624 . 1 1 2 ASN O O -3.378 -7.243 0.531 . . . 1.0 . . . . . . . . . . . . A . 2 ASN O . . . . . . . . . rr_2dx3 1 . 3 . 625 . 1 1 2 ASN OD1 O -8.360 -8.623 -0.651 . . . 1.0 . . . . . . . . . . . . A . 2 ASN OD1 . . . . . . . . . rr_2dx3 1 . 3 . 626 . 1 1 3 TYR C C -3.305 -6.060 -2.298 . . . 1.0 . . . . . . . . . . . . A . 3 TYR C . . . . . . . . . rr_2dx3 1 . 3 . 627 . 1 1 3 TYR CA C -3.063 -7.568 -2.211 . . . 1.0 . . . . . . . . . . . . A . 3 TYR CA . . . . . . . . . rr_2dx3 1 . 3 . 628 . 1 1 3 TYR CB C -3.204 -8.176 -3.608 . . . 1.0 . . . . . . . . . . . . A . 3 TYR CB . . . . . . . . . rr_2dx3 1 . 3 . 629 . 1 1 3 TYR CD1 C -1.836 -6.724 -5.150 . . . 1.0 . . . . . . . . . . . . A . 3 TYR CD1 . . . . . . . . . rr_2dx3 1 . 3 . 630 . 1 1 3 TYR CD2 C -1.062 -8.940 -4.698 . . . 1.0 . . . . . . . . . . . . A . 3 TYR CD2 . . . . . . . . . rr_2dx3 1 . 3 . 631 . 1 1 3 TYR CE1 C -0.698 -6.501 -6.004 . . . 1.0 . . . . . . . . . . . . A . 3 TYR CE1 . . . . . . . . . rr_2dx3 1 . 3 . 632 . 1 1 3 TYR CE2 C 0.076 -8.717 -5.551 . . . 1.0 . . . . . . . . . . . . A . 3 TYR CE2 . . . . . . . . . rr_2dx3 1 . 3 . 633 . 1 1 3 TYR CG C -1.995 -7.939 -4.515 . . . 1.0 . . . . . . . . . . . . A . 3 TYR CG . . . . . . . . . rr_2dx3 1 . 3 . 634 . 1 1 3 TYR CZ C 0.202 -7.508 -6.162 . . . 1.0 . . . . . . . . . . . . A . 3 TYR CZ . . . . . . . . . rr_2dx3 1 . 3 . 635 . 1 1 3 TYR H H -4.697 -8.818 -1.885 . . . 1.0 . . . . . . . . . . . . A . 3 TYR H . . . . . . . . . rr_2dx3 1 . 3 . 636 . 1 1 3 TYR HA H -2.092 -7.746 -1.750 . . . 1.0 . . . . . . . . . . . . A . 3 TYR HA . . . . . . . . . rr_2dx3 1 . 3 . 637 . 1 1 3 TYR HB2 H -3.368 -9.249 -3.511 . . . 1.0 . . . . . . . . . . . . A . 3 TYR HB2 . . . . . . . . . rr_2dx3 1 . 3 . 638 . 1 1 3 TYR HB3 H -4.091 -7.760 -4.087 . . . 1.0 . . . . . . . . . . . . A . 3 TYR HB3 . . . . . . . . . rr_2dx3 1 . 3 . 639 . 1 1 3 TYR HD1 H -2.573 -5.933 -5.006 . . . 1.0 . . . . . . . . . . . . A . 3 TYR HD1 . . . . . . . . . rr_2dx3 1 . 3 . 640 . 1 1 3 TYR HD2 H -1.188 -9.899 -4.196 . . . 1.0 . . . . . . . . . . . . A . 3 TYR HD2 . . . . . . . . . rr_2dx3 1 . 3 . 641 . 1 1 3 TYR HE1 H -0.561 -5.546 -6.512 . . . 1.0 . . . . . . . . . . . . A . 3 TYR HE1 . . . . . . . . . rr_2dx3 1 . 3 . 642 . 1 1 3 TYR HE2 H 0.820 -9.499 -5.704 . . . 1.0 . . . . . . . . . . . . A . 3 TYR HE2 . . . . . . . . . rr_2dx3 1 . 3 . 643 . 1 1 3 TYR HH H 2.123 -7.424 -6.450 . . . 1.0 . . . . . . . . . . . . A . 3 TYR HH . . . . . . . . . rr_2dx3 1 . 3 . 644 . 1 1 3 TYR N N -4.075 -8.211 -1.391 . . . 1.0 . . . . . . . . . . . . A . 3 TYR N . . . . . . . . . rr_2dx3 1 . 3 . 645 . 1 1 3 TYR O O -2.416 -5.306 -2.689 . . . 1.0 . . . . . . . . . . . . A . 3 TYR O . . . . . . . . . rr_2dx3 1 . 3 . 646 . 1 1 3 TYR OH O 1.277 -7.298 -6.968 . . . 1.0 . . . . . . . . . . . . A . 3 TYR OH . . . . . . . . . rr_2dx3 1 . 3 . 647 . 1 1 4 TRP C C -4.673 -3.684 -0.555 . . . 1.0 . . . . . . . . . . . . A . 4 TRP C . . . . . . . . . rr_2dx3 1 . 3 . 648 . 1 1 4 TRP CA C -4.885 -4.260 -1.957 . . . 1.0 . . . . . . . . . . . . A . 4 TRP CA . . . . . . . . . rr_2dx3 1 . 3 . 649 . 1 1 4 TRP CB C -6.316 -4.081 -2.467 . . . 1.0 . . . . . . . . . . . . A . 4 TRP CB . . . . . . . . . rr_2dx3 1 . 3 . 650 . 1 1 4 TRP CD1 C -7.315 -5.228 -4.552 . . . 1.0 . . . . . . . . . . . . A . 4 TRP CD1 . . . . . . . . . rr_2dx3 1 . 3 . 651 . 1 1 4 TRP CD2 C -5.764 -3.723 -5.040 . . . 1.0 . . . . . . . . . . . . A . 4 TRP CD2 . . . . . . . . . rr_2dx3 1 . 3 . 652 . 1 1 4 TRP CE2 C -6.212 -4.256 -6.232 . . . 1.0 . . . . . . . . . . . . A . 4 TRP CE2 . . . . . . . . . rr_2dx3 1 . 3 . 653 . 1 1 4 TRP CE3 C -4.769 -2.731 -5.009 . . . 1.0 . . . . . . . . . . . . A . 4 TRP CE3 . . . . . . . . . rr_2dx3 1 . 3 . 654 . 1 1 4 TRP CG C -6.484 -4.358 -3.962 . . . 1.0 . . . . . . . . . . . . A . 4 TRP CG . . . . . . . . . rr_2dx3 1 . 3 . 655 . 1 1 4 TRP CH2 C -4.727 -2.872 -7.475 . . . 1.0 . . . . . . . . . . . . A . 4 TRP CH2 . . . . . . . . . rr_2dx3 1 . 3 . 656 . 1 1 4 TRP CZ2 C -5.720 -3.860 -7.481 . . . 1.0 . . . . . . . . . . . . A . 4 TRP CZ2 . . . . . . . . . rr_2dx3 1 . 3 . 657 . 1 1 4 TRP CZ3 C -4.288 -2.346 -6.266 . . . 1.0 . . . . . . . . . . . . A . 4 TRP CZ3 . . . . . . . . . rr_2dx3 1 . 3 . 658 . 1 1 4 TRP H H -5.232 -6.284 -1.609 . . . 1.0 . . . . . . . . . . . . A . 4 TRP H . . . . . . . . . rr_2dx3 1 . 3 . 659 . 1 1 4 TRP HA H -4.230 -3.758 -2.669 . . . 1.0 . . . . . . . . . . . . A . 4 TRP HA . . . . . . . . . rr_2dx3 1 . 3 . 660 . 1 1 4 TRP HB2 H -6.975 -4.746 -1.908 . . . 1.0 . . . . . . . . . . . . A . 4 TRP HB2 . . . . . . . . . rr_2dx3 1 . 3 . 661 . 1 1 4 TRP HB3 H -6.641 -3.062 -2.258 . . . 1.0 . . . . . . . . . . . . A . 4 TRP HB3 . . . . . . . . . rr_2dx3 1 . 3 . 662 . 1 1 4 TRP HD1 H -8.007 -5.877 -4.014 . . . 1.0 . . . . . . . . . . . . A . 4 TRP HD1 . . . . . . . . . rr_2dx3 1 . 3 . 663 . 1 1 4 TRP HE1 H -7.742 -5.807 -6.639 . . . 1.0 . . . . . . . . . . . . A . 4 TRP HE1 . . . . . . . . . rr_2dx3 1 . 3 . 664 . 1 1 4 TRP HE3 H -4.399 -2.294 -4.081 . . . 1.0 . . . . . . . . . . . . A . 4 TRP HE3 . . . . . . . . . rr_2dx3 1 . 3 . 665 . 1 1 4 TRP HH2 H -4.301 -2.518 -8.414 . . . 1.0 . . . . . . . . . . . . A . 4 TRP HH2 . . . . . . . . . rr_2dx3 1 . 3 . 666 . 1 1 4 TRP HZ2 H -6.090 -4.296 -8.409 . . . 1.0 . . . . . . . . . . . . A . 4 TRP HZ2 . . . . . . . . . rr_2dx3 1 . 3 . 667 . 1 1 4 TRP HZ3 H -3.514 -1.579 -6.299 . . . 1.0 . . . . . . . . . . . . A . 4 TRP HZ3 . . . . . . . . . rr_2dx3 1 . 3 . 668 . 1 1 4 TRP N N -4.514 -5.664 -1.926 . . . 1.0 . . . . . . . . . . . . A . 4 TRP N . . . . . . . . . rr_2dx3 1 . 3 . 669 . 1 1 4 TRP NE1 N -7.184 -5.201 -5.925 . . . 1.0 . . . . . . . . . . . . A . 4 TRP NE1 . . . . . . . . . rr_2dx3 1 . 3 . 670 . 1 1 4 TRP O O -4.256 -2.536 -0.408 . . . 1.0 . . . . . . . . . . . . A . 4 TRP O . . . . . . . . . rr_2dx3 1 . 3 . 671 . 1 1 5 LEU C C -3.420 -4.476 2.314 . . . 1.0 . . . . . . . . . . . . A . 5 LEU C . . . . . . . . . rr_2dx3 1 . 3 . 672 . 1 1 5 LEU CA C -4.818 -4.095 1.824 . . . 1.0 . . . . . . . . . . . . A . 5 LEU CA . . . . . . . . . rr_2dx3 1 . 3 . 673 . 1 1 5 LEU CB C -5.948 -4.669 2.681 . . . 1.0 . . . . . . . . . . . . A . 5 LEU CB . . . . . . . . . rr_2dx3 1 . 3 . 674 . 1 1 5 LEU CD1 C -7.348 -3.026 1.378 . . . 1.0 . . . . . . . . . . . . A . 5 LEU CD1 . . . . . . . . . rr_2dx3 1 . 3 . 675 . 1 1 5 LEU CD2 C -8.114 -5.430 1.639 . . . 1.0 . . . . . . . . . . . . A . 5 LEU CD2 . . . . . . . . . rr_2dx3 1 . 3 . 676 . 1 1 5 LEU CG C -7.367 -4.260 2.282 . . . 1.0 . . . . . . . . . . . . A . 5 LEU CG . . . . . . . . . rr_2dx3 1 . 3 . 677 . 1 1 5 LEU H H -5.310 -5.440 0.311 . . . 1.0 . . . . . . . . . . . . A . 5 LEU H . . . . . . . . . rr_2dx3 1 . 3 . 678 . 1 1 5 LEU HA H -4.911 -3.009 1.853 . . . 1.0 . . . . . . . . . . . . A . 5 LEU HA . . . . . . . . . rr_2dx3 1 . 3 . 679 . 1 1 5 LEU HB2 H -5.883 -5.756 2.653 . . . 1.0 . . . . . . . . . . . . A . 5 LEU HB2 . . . . . . . . . rr_2dx3 1 . 3 . 680 . 1 1 5 LEU HB3 H -5.782 -4.367 3.715 . . . 1.0 . . . . . . . . . . . . A . 5 LEU HB3 . . . . . . . . . rr_2dx3 1 . 3 . 681 . 1 1 5 LEU HD11 H -8.367 -2.668 1.231 . . . 1.0 . . . . . . . . . . . . A . 5 LEU HD11 . . . . . . . . . rr_2dx3 1 . 3 . 682 . 1 1 5 LEU HD12 H -6.751 -2.243 1.845 . . . 1.0 . . . . . . . . . . . . A . 5 LEU HD12 . . . . . . . . . rr_2dx3 1 . 3 . 683 . 1 1 5 LEU HD13 H -6.913 -3.288 0.414 . . . 1.0 . . . . . . . . . . . . A . 5 LEU HD13 . . . . . . . . . rr_2dx3 1 . 3 . 684 . 1 1 5 LEU HD21 H -8.116 -6.280 2.322 . . . 1.0 . . . . . . . . . . . . A . 5 LEU HD21 . . . . . . . . . rr_2dx3 1 . 3 . 685 . 1 1 5 LEU HD22 H -9.141 -5.133 1.426 . . . 1.0 . . . . . . . . . . . . A . 5 LEU HD22 . . . . . . . . . rr_2dx3 1 . 3 . 686 . 1 1 5 LEU HD23 H -7.617 -5.712 0.710 . . . 1.0 . . . . . . . . . . . . A . 5 LEU HD23 . . . . . . . . . rr_2dx3 1 . 3 . 687 . 1 1 5 LEU HG H -7.912 -3.989 3.186 . . . 1.0 . . . . . . . . . . . . A . 5 LEU HG . . . . . . . . . rr_2dx3 1 . 3 . 688 . 1 1 5 LEU N N -4.971 -4.508 0.439 . . . 1.0 . . . . . . . . . . . . A . 5 LEU N . . . . . . . . . rr_2dx3 1 . 3 . 689 . 1 1 5 LEU O O -3.224 -4.738 3.500 . . . 1.0 . . . . . . . . . . . . A . 5 LEU O . . . . . . . . . rr_2dx3 1 . 3 . 690 . 1 1 6 ALA C C -0.163 -4.030 0.808 . . . 1.0 . . . . . . . . . . . . A . 6 ALA C . . . . . . . . . rr_2dx3 1 . 3 . 691 . 1 1 6 ALA CA C -1.109 -4.838 1.699 . . . 1.0 . . . . . . . . . . . . A . 6 ALA CA . . . . . . . . . rr_2dx3 1 . 3 . 692 . 1 1 6 ALA CB C -0.910 -6.347 1.542 . . . 1.0 . . . . . . . . . . . . A . 6 ALA CB . . . . . . . . . rr_2dx3 1 . 3 . 693 . 1 1 6 ALA H H -2.651 -4.279 0.415 . . . 1.0 . . . . . . . . . . . . A . 6 ALA H . . . . . . . . . rr_2dx3 1 . 3 . 694 . 1 1 6 ALA HA H -0.934 -4.568 2.740 . . . 1.0 . . . . . . . . . . . . A . 6 ALA HA . . . . . . . . . rr_2dx3 1 . 3 . 695 . 1 1 6 ALA HB1 H 0.087 -6.620 1.885 . . . 1.0 . . . . . . . . . . . . A . 6 ALA HB1 . . . . . . . . . rr_2dx3 1 . 3 . 696 . 1 1 6 ALA HB2 H -1.656 -6.875 2.135 . . . 1.0 . . . . . . . . . . . . A . 6 ALA HB2 . . . . . . . . . rr_2dx3 1 . 3 . 697 . 1 1 6 ALA HB3 H -1.021 -6.621 0.492 . . . 1.0 . . . . . . . . . . . . A . 6 ALA HB3 . . . . . . . . . rr_2dx3 1 . 3 . 698 . 1 1 6 ALA N N -2.483 -4.494 1.377 . . . 1.0 . . . . . . . . . . . . A . 6 ALA N . . . . . . . . . rr_2dx3 1 . 3 . 699 . 1 1 6 ALA O O 0.806 -3.448 1.293 . . . 1.0 . . . . . . . . . . . . A . 6 ALA O . . . . . . . . . rr_2dx3 1 . 3 . 700 . 1 1 7 HIS C C -0.179 -1.855 -1.559 . . . 1.0 . . . . . . . . . . . . A . 7 HIS C . . . . . . . . . rr_2dx3 1 . 3 . 701 . 1 1 7 HIS CA C 0.331 -3.293 -1.442 . . . 1.0 . . . . . . . . . . . . A . 7 HIS CA . . . . . . . . . rr_2dx3 1 . 3 . 702 . 1 1 7 HIS CB C 0.363 -4.022 -2.786 . . . 1.0 . . . . . . . . . . . . A . 7 HIS CB . . . . . . . . . rr_2dx3 1 . 3 . 703 . 1 1 7 HIS CD2 C 1.274 -6.190 -1.645 . . . 1.0 . . . . . . . . . . . . A . 7 HIS CD2 . . . . . . . . . rr_2dx3 1 . 3 . 704 . 1 1 7 HIS CE1 C 1.758 -7.317 -3.457 . . . 1.0 . . . . . . . . . . . . A . 7 HIS CE1 . . . . . . . . . rr_2dx3 1 . 3 . 705 . 1 1 7 HIS CG C 0.950 -5.412 -2.717 . . . 1.0 . . . . . . . . . . . . A . 7 HIS CG . . . . . . . . . rr_2dx3 1 . 3 . 706 . 1 1 7 HIS H H -1.268 -4.496 -0.865 . . . 1.0 . . . . . . . . . . . . A . 7 HIS H . . . . . . . . . rr_2dx3 1 . 3 . 707 . 1 1 7 HIS HA H 1.348 -3.277 -1.048 . . . 1.0 . . . . . . . . . . . . A . 7 HIS HA . . . . . . . . . rr_2dx3 1 . 3 . 708 . 1 1 7 HIS HB2 H -0.652 -4.087 -3.177 . . . 1.0 . . . . . . . . . . . . A . 7 HIS HB2 . . . . . . . . . rr_2dx3 1 . 3 . 709 . 1 1 7 HIS HB3 H 0.941 -3.430 -3.496 . . . 1.0 . . . . . . . . . . . . A . 7 HIS HB3 . . . . . . . . . rr_2dx3 1 . 3 . 710 . 1 1 7 HIS HD1 H 1.145 -5.851 -4.792 . . . 1.0 . . . . . . . . . . . . A . 7 HIS HD1 . . . . . . . . . rr_2dx3 1 . 3 . 711 . 1 1 7 HIS HD2 H 1.153 -5.914 -0.597 . . . 1.0 . . . . . . . . . . . . A . 7 HIS HD2 . . . . . . . . . rr_2dx3 1 . 3 . 712 . 1 1 7 HIS HE1 H 2.099 -8.118 -4.112 . . . 1.0 . . . . . . . . . . . . A . 7 HIS HE1 . . . . . . . . . rr_2dx3 1 . 3 . 713 . 1 1 7 HIS HE2 H 2.130 -8.077 -1.525 . . . 1.0 . . . . . . . . . . . . A . 7 HIS HE2 . . . . . . . . . rr_2dx3 1 . 3 . 714 . 1 1 7 HIS N N -0.478 -4.020 -0.479 . . . 1.0 . . . . . . . . . . . . A . 7 HIS N . . . . . . . . . rr_2dx3 1 . 3 . 715 . 1 1 7 HIS ND1 N 1.267 -6.149 -3.845 . . . 1.0 . . . . . . . . . . . . A . 7 HIS ND1 . . . . . . . . . rr_2dx3 1 . 3 . 716 . 1 1 7 HIS NE2 N 1.761 -7.341 -2.093 . . . 1.0 . . . . . . . . . . . . A . 7 HIS NE2 . . . . . . . . . rr_2dx3 1 . 3 . 717 . 1 1 7 HIS O O 0.609 -0.925 -1.725 . . . 1.0 . . . . . . . . . . . . A . 7 HIS O . . . . . . . . . rr_2dx3 1 . 3 . 718 . 1 1 8 ALA C C -1.952 0.327 -0.233 . . . 1.0 . . . . . . . . . . . . A . 8 ALA C . . . . . . . . . rr_2dx3 1 . 3 . 719 . 1 1 8 ALA CA C -2.118 -0.410 -1.564 . . . 1.0 . . . . . . . . . . . . A . 8 ALA CA . . . . . . . . . rr_2dx3 1 . 3 . 720 . 1 1 8 ALA CB C -3.587 -0.573 -1.960 . . . 1.0 . . . . . . . . . . . . A . 8 ALA CB . . . . . . . . . rr_2dx3 1 . 3 . 721 . 1 1 8 ALA H H -2.127 -2.481 -1.335 . . . 1.0 . . . . . . . . . . . . A . 8 ALA H . . . . . . . . . rr_2dx3 1 . 3 . 722 . 1 1 8 ALA HA H -1.603 0.148 -2.346 . . . 1.0 . . . . . . . . . . . . A . 8 ALA HA . . . . . . . . . rr_2dx3 1 . 3 . 723 . 1 1 8 ALA HB1 H -3.754 -1.585 -2.327 . . . 1.0 . . . . . . . . . . . . A . 8 ALA HB1 . . . . . . . . . rr_2dx3 1 . 3 . 724 . 1 1 8 ALA HB2 H -4.220 -0.392 -1.091 . . . 1.0 . . . . . . . . . . . . A . 8 ALA HB2 . . . . . . . . . rr_2dx3 1 . 3 . 725 . 1 1 8 ALA HB3 H -3.833 0.143 -2.744 . . . 1.0 . . . . . . . . . . . . A . 8 ALA HB3 . . . . . . . . . rr_2dx3 1 . 3 . 726 . 1 1 8 ALA N N -1.494 -1.719 -1.469 . . . 1.0 . . . . . . . . . . . . A . 8 ALA N . . . . . . . . . rr_2dx3 1 . 3 . 727 . 1 1 8 ALA O O -2.239 1.519 -0.140 . . . 1.0 . . . . . . . . . . . . A . 8 ALA O . . . . . . . . . rr_2dx3 1 . 3 . 728 . 1 1 9 LYS C C 0.206 0.462 2.273 . . . 1.0 . . . . . . . . . . . . A . 9 LYS C . . . . . . . . . rr_2dx3 1 . 3 . 729 . 1 1 9 LYS CA C -1.280 0.154 2.084 . . . 1.0 . . . . . . . . . . . . A . 9 LYS CA . . . . . . . . . rr_2dx3 1 . 3 . 730 . 1 1 9 LYS CB C -1.860 -0.766 3.160 . . . 1.0 . . . . . . . . . . . . A . 9 LYS CB . . . . . . . . . rr_2dx3 1 . 3 . 731 . 1 1 9 LYS CD C -2.407 -0.376 5.591 . . . 1.0 . . . . . . . . . . . . A . 9 LYS CD . . . . . . . . . rr_2dx3 1 . 3 . 732 . 1 1 9 LYS CE C -1.894 0.823 6.390 . . . 1.0 . . . . . . . . . . . . A . 9 LYS CE . . . . . . . . . rr_2dx3 1 . 3 . 733 . 1 1 9 LYS CG C -2.724 0.021 4.148 . . . 1.0 . . . . . . . . . . . . A . 9 LYS CG . . . . . . . . . rr_2dx3 1 . 3 . 734 . 1 1 9 LYS H H -1.258 -1.383 0.679 . . . 1.0 . . . . . . . . . . . . A . 9 LYS H . . . . . . . . . rr_2dx3 1 . 3 . 735 . 1 1 9 LYS HA H -1.836 1.091 2.128 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HA . . . . . . . . . rr_2dx3 1 . 3 . 736 . 1 1 9 LYS HB2 H -2.457 -1.549 2.693 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HB2 . . . . . . . . . rr_2dx3 1 . 3 . 737 . 1 1 9 LYS HB3 H -1.049 -1.261 3.695 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HB3 . . . . . . . . . rr_2dx3 1 . 3 . 738 . 1 1 9 LYS HD2 H -3.303 -0.778 6.066 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HD2 . . . . . . . . . rr_2dx3 1 . 3 . 739 . 1 1 9 LYS HD3 H -1.660 -1.170 5.598 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HD3 . . . . . . . . . rr_2dx3 1 . 3 . 740 . 1 1 9 LYS HE2 H -0.848 1.009 6.145 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HE2 . . . . . . . . . rr_2dx3 1 . 3 . 741 . 1 1 9 LYS HE3 H -2.451 1.718 6.112 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HE3 . . . . . . . . . rr_2dx3 1 . 3 . 742 . 1 1 9 LYS HG2 H -2.552 1.089 4.015 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HG2 . . . . . . . . . rr_2dx3 1 . 3 . 743 . 1 1 9 LYS HG3 H -3.778 -0.161 3.939 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HG3 . . . . . . . . . rr_2dx3 1 . 3 . 744 . 1 1 9 LYS HZ1 H -2.089 1.450 8.325 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HZ1 . . . . . . . . . rr_2dx3 1 . 3 . 745 . 1 1 9 LYS HZ2 H -2.864 0.047 8.013 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HZ2 . . . . . . . . . rr_2dx3 1 . 3 . 746 . 1 1 9 LYS HZ3 H -1.239 0.064 8.171 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HZ3 . . . . . . . . . rr_2dx3 1 . 3 . 747 . 1 1 9 LYS N N -1.489 -0.414 0.763 . . . 1.0 . . . . . . . . . . . . A . 9 LYS N . . . . . . . . . rr_2dx3 1 . 3 . 748 . 1 1 9 LYS NZ N -2.033 0.576 7.843 . . . 1.0 . . . . . . . . . . . . A . 9 LYS NZ . . . . . . . . . rr_2dx3 1 . 3 . 749 . 1 1 9 LYS O O 0.568 1.561 2.691 . . . 1.0 . . . . . . . . . . . . A . 9 LYS O . . . . . . . . . rr_2dx3 1 . 3 . 750 . 1 1 10 ALA C C 3.013 0.347 0.854 . . . 1.0 . . . . . . . . . . . . A . 10 ALA C . . . . . . . . . rr_2dx3 1 . 3 . 751 . 1 1 10 ALA CA C 2.467 -0.376 2.087 . . . 1.0 . . . . . . . . . . . . A . 10 ALA CA . . . . . . . . . rr_2dx3 1 . 3 . 752 . 1 1 10 ALA CB C 3.109 -1.750 2.289 . . . 1.0 . . . . . . . . . . . . A . 10 ALA CB . . . . . . . . . rr_2dx3 1 . 3 . 753 . 1 1 10 ALA H H 0.726 -1.418 1.618 . . . 1.0 . . . . . . . . . . . . A . 10 ALA H . . . . . . . . . rr_2dx3 1 . 3 . 754 . 1 1 10 ALA HA H 2.658 0.234 2.970 . . . 1.0 . . . . . . . . . . . . A . 10 ALA HA . . . . . . . . . rr_2dx3 1 . 3 . 755 . 1 1 10 ALA HB1 H 2.347 -2.465 2.597 . . . 1.0 . . . . . . . . . . . . A . 10 ALA HB1 . . . . . . . . . rr_2dx3 1 . 3 . 756 . 1 1 10 ALA HB2 H 3.562 -2.080 1.354 . . . 1.0 . . . . . . . . . . . . A . 10 ALA HB2 . . . . . . . . . rr_2dx3 1 . 3 . 757 . 1 1 10 ALA HB3 H 3.877 -1.682 3.060 . . . 1.0 . . . . . . . . . . . . A . 10 ALA HB3 . . . . . . . . . rr_2dx3 1 . 3 . 758 . 1 1 10 ALA N N 1.028 -0.527 1.957 . . . 1.0 . . . . . . . . . . . . A . 10 ALA N . . . . . . . . . rr_2dx3 1 . 3 . 759 . 1 1 10 ALA O O 3.960 1.125 0.955 . . . 1.0 . . . . . . . . . . . . A . 10 ALA O . . . . . . . . . rr_2dx3 1 . 3 . 760 . 1 1 11 GLY C C 2.182 2.067 -1.693 . . . 1.0 . . . . . . . . . . . . A . 11 GLY C . . . . . . . . . rr_2dx3 1 . 3 . 761 . 1 1 11 GLY CA C 2.803 0.678 -1.533 . . . 1.0 . . . . . . . . . . . . A . 11 GLY CA . . . . . . . . . rr_2dx3 1 . 3 . 762 . 1 1 11 GLY H H 1.622 -0.569 -0.355 . . . 1.0 . . . . . . . . . . . . A . 11 GLY H . . . . . . . . . rr_2dx3 1 . 3 . 763 . 1 1 11 GLY HA2 H 3.890 0.757 -1.563 . . . 1.0 . . . . . . . . . . . . A . 11 GLY HA2 . . . . . . . . . rr_2dx3 1 . 3 . 764 . 1 1 11 GLY HA3 H 2.506 0.044 -2.368 . . . 1.0 . . . . . . . . . . . . A . 11 GLY HA3 . . . . . . . . . rr_2dx3 1 . 3 . 765 . 1 1 11 GLY N N 2.392 0.065 -0.281 . . . 1.0 . . . . . . . . . . . . A . 11 GLY N . . . . . . . . . rr_2dx3 1 . 3 . 766 . 1 1 11 GLY O O 2.253 2.663 -2.767 . . . 1.0 . . . . . . . . . . . . A . 11 GLY O . . . . . . . . . rr_2dx3 1 . 3 . 767 . 1 1 12 TYR C C 1.950 4.945 -0.232 . . . 1.0 . . . . . . . . . . . . A . 12 TYR C . . . . . . . . . rr_2dx3 1 . 3 . 768 . 1 1 12 TYR CA C 0.952 3.850 -0.616 . . . 1.0 . . . . . . . . . . . . A . 12 TYR CA . . . . . . . . . rr_2dx3 1 . 3 . 769 . 1 1 12 TYR CB C -0.152 3.789 0.442 . . . 1.0 . . . . . . . . . . . . A . 12 TYR CB . . . . . . . . . rr_2dx3 1 . 3 . 770 . 1 1 12 TYR CD1 C 1.574 3.867 2.278 . . . 1.0 . . . . . . . . . . . . A . 12 TYR CD1 . . . . . . . . . rr_2dx3 1 . 3 . 771 . 1 1 12 TYR CD2 C -0.549 4.890 2.675 . . . 1.0 . . . . . . . . . . . . A . 12 TYR CD2 . . . . . . . . . rr_2dx3 1 . 3 . 772 . 1 1 12 TYR CE1 C 2.005 4.249 3.597 . . . 1.0 . . . . . . . . . . . . A . 12 TYR CE1 . . . . . . . . . rr_2dx3 1 . 3 . 773 . 1 1 12 TYR CE2 C -0.118 5.273 3.994 . . . 1.0 . . . . . . . . . . . . A . 12 TYR CE2 . . . . . . . . . rr_2dx3 1 . 3 . 774 . 1 1 12 TYR CG C 0.306 4.195 1.844 . . . 1.0 . . . . . . . . . . . . A . 12 TYR CG . . . . . . . . . rr_2dx3 1 . 3 . 775 . 1 1 12 TYR CZ C 1.138 4.933 4.391 . . . 1.0 . . . . . . . . . . . . A . 12 TYR CZ . . . . . . . . . rr_2dx3 1 . 3 . 776 . 1 1 12 TYR H H 1.533 2.051 0.261 . . . 1.0 . . . . . . . . . . . . A . 12 TYR H . . . . . . . . . rr_2dx3 1 . 3 . 777 . 1 1 12 TYR HA H 0.585 4.040 -1.624 . . . 1.0 . . . . . . . . . . . . A . 12 TYR HA . . . . . . . . . rr_2dx3 1 . 3 . 778 . 1 1 12 TYR HB2 H -0.971 4.440 0.135 . . . 1.0 . . . . . . . . . . . . A . 12 TYR HB2 . . . . . . . . . rr_2dx3 1 . 3 . 779 . 1 1 12 TYR HB3 H -0.548 2.774 0.480 . . . 1.0 . . . . . . . . . . . . A . 12 TYR HB3 . . . . . . . . . rr_2dx3 1 . 3 . 780 . 1 1 12 TYR HD1 H 2.250 3.318 1.621 . . . 1.0 . . . . . . . . . . . . A . 12 TYR HD1 . . . . . . . . . rr_2dx3 1 . 3 . 781 . 1 1 12 TYR HD2 H -1.551 5.149 2.332 . . . 1.0 . . . . . . . . . . . . A . 12 TYR HD2 . . . . . . . . . rr_2dx3 1 . 3 . 782 . 1 1 12 TYR HE1 H 3.004 3.996 3.953 . . . 1.0 . . . . . . . . . . . . A . 12 TYR HE1 . . . . . . . . . rr_2dx3 1 . 3 . 783 . 1 1 12 TYR HE2 H -0.783 5.822 4.661 . . . 1.0 . . . . . . . . . . . . A . 12 TYR HE2 . . . . . . . . . rr_2dx3 1 . 3 . 784 . 1 1 12 TYR HH H 0.767 5.289 6.265 . . . 1.0 . . . . . . . . . . . . A . 12 TYR HH . . . . . . . . . rr_2dx3 1 . 3 . 785 . 1 1 12 TYR N N 1.586 2.542 -0.609 . . . 1.0 . . . . . . . . . . . . A . 12 TYR N . . . . . . . . . rr_2dx3 1 . 3 . 786 . 1 1 12 TYR O O 1.567 5.967 0.336 . . . 1.0 . . . . . . . . . . . . A . 12 TYR O . . . . . . . . . rr_2dx3 1 . 3 . 787 . 1 1 12 TYR OH O 1.545 5.294 5.637 . . . 1.0 . . . . . . . . . . . . A . 12 TYR OH . . . . . . . . . rr_2dx3 1 . 3 . 788 . 1 1 13 ILE C C 4.666 6.381 -1.533 . . . 1.0 . . . . . . . . . . . . A . 13 ILE C . . . . . . . . . rr_2dx3 1 . 3 . 789 . 1 1 13 ILE CA C 4.265 5.645 -0.253 . . . 1.0 . . . . . . . . . . . . A . 13 ILE CA . . . . . . . . . rr_2dx3 1 . 3 . 790 . 1 1 13 ILE CB C 5.432 4.945 0.446 . . . 1.0 . . . . . . . . . . . . A . 13 ILE CB . . . . . . . . . rr_2dx3 1 . 3 . 791 . 1 1 13 ILE CD1 C 6.074 3.859 -1.737 . . . 1.0 . . . . . . . . . . . . A . 13 ILE CD1 . . . . . . . . . rr_2dx3 1 . 3 . 792 . 1 1 13 ILE CG1 C 5.781 3.630 -0.253 . . . 1.0 . . . . . . . . . . . . A . 13 ILE CG1 . . . . . . . . . rr_2dx3 1 . 3 . 793 . 1 1 13 ILE CG2 C 5.139 4.743 1.934 . . . 1.0 . . . . . . . . . . . . A . 13 ILE CG2 . . . . . . . . . rr_2dx3 1 . 3 . 794 . 1 1 13 ILE H H 3.512 3.860 -1.018 . . . 1.0 . . . . . . . . . . . . A . 13 ILE H . . . . . . . . . rr_2dx3 1 . 3 . 795 . 1 1 13 ILE HA H 3.857 6.372 0.450 . . . 1.0 . . . . . . . . . . . . A . 13 ILE HA . . . . . . . . . rr_2dx3 1 . 3 . 796 . 1 1 13 ILE HB H 6.308 5.590 0.376 . . . 1.0 . . . . . . . . . . . . A . 13 ILE HB . . . . . . . . . rr_2dx3 1 . 3 . 797 . 1 1 13 ILE HD11 H 6.475 4.863 -1.878 . . . 1.0 . . . . . . . . . . . . A . 13 ILE HD11 . . . . . . . . . rr_2dx3 1 . 3 . 798 . 1 1 13 ILE HD12 H 6.803 3.125 -2.081 . . . 1.0 . . . . . . . . . . . . A . 13 ILE HD12 . . . . . . . . . rr_2dx3 1 . 3 . 799 . 1 1 13 ILE HD13 H 5.153 3.752 -2.310 . . . 1.0 . . . . . . . . . . . . A . 13 ILE HD13 . . . . . . . . . rr_2dx3 1 . 3 . 800 . 1 1 13 ILE HG12 H 6.649 3.178 0.227 . . . 1.0 . . . . . . . . . . . . A . 13 ILE HG12 . . . . . . . . . rr_2dx3 1 . 3 . 801 . 1 1 13 ILE HG13 H 4.955 2.927 -0.146 . . . 1.0 . . . . . . . . . . . . A . 13 ILE HG13 . . . . . . . . . rr_2dx3 1 . 3 . 802 . 1 1 13 ILE HG21 H 5.641 5.519 2.512 . . . 1.0 . . . . . . . . . . . . A . 13 ILE HG21 . . . . . . . . . rr_2dx3 1 . 3 . 803 . 1 1 13 ILE HG22 H 4.064 4.802 2.104 . . . 1.0 . . . . . . . . . . . . A . 13 ILE HG22 . . . . . . . . . rr_2dx3 1 . 3 . 804 . 1 1 13 ILE HG23 H 5.503 3.764 2.246 . . . 1.0 . . . . . . . . . . . . A . 13 ILE HG23 . . . . . . . . . rr_2dx3 1 . 3 . 805 . 1 1 13 ILE N N 3.210 4.693 -0.557 . . . 1.0 . . . . . . . . . . . . A . 13 ILE N . . . . . . . . . rr_2dx3 1 . 3 . 806 . 1 1 13 ILE O O 5.335 7.411 -1.477 . . . 1.0 . . . . . . . . . . . . A . 13 ILE O . . . . . . . . . rr_2dx3 1 . 3 . 807 . 1 1 14 VAL C C 3.869 7.780 -4.053 . . . 1.0 . . . . . . . . . . . . A . 14 VAL C . . . . . . . . . rr_2dx3 1 . 3 . 808 . 1 1 14 VAL CA C 4.547 6.413 -3.948 . . . 1.0 . . . . . . . . . . . . A . 14 VAL CA . . . . . . . . . rr_2dx3 1 . 3 . 809 . 1 1 14 VAL CB C 4.139 5.456 -5.071 . . . 1.0 . . . . . . . . . . . . A . 14 VAL CB . . . . . . . . . rr_2dx3 1 . 3 . 810 . 1 1 14 VAL CG1 C 5.185 4.355 -5.260 . . . 1.0 . . . . . . . . . . . . A . 14 VAL CG1 . . . . . . . . . rr_2dx3 1 . 3 . 811 . 1 1 14 VAL CG2 C 2.756 4.859 -4.807 . . . 1.0 . . . . . . . . . . . . A . 14 VAL CG2 . . . . . . . . . rr_2dx3 1 . 3 . 812 . 1 1 14 VAL H H 3.696 4.984 -2.693 . . . 1.0 . . . . . . . . . . . . A . 14 VAL H . . . . . . . . . rr_2dx3 1 . 3 . 813 . 1 1 14 VAL HA H 5.627 6.551 -3.999 . . . 1.0 . . . . . . . . . . . . A . 14 VAL HA . . . . . . . . . rr_2dx3 1 . 3 . 814 . 1 1 14 VAL HB H 4.085 6.029 -5.996 . . . 1.0 . . . . . . . . . . . . A . 14 VAL HB . . . . . . . . . rr_2dx3 1 . 3 . 815 . 1 1 14 VAL HG11 H 6.165 4.808 -5.411 . . . 1.0 . . . . . . . . . . . . A . 14 VAL HG11 . . . . . . . . . rr_2dx3 1 . 3 . 816 . 1 1 14 VAL HG12 H 5.210 3.722 -4.373 . . . 1.0 . . . . . . . . . . . . A . 14 VAL HG12 . . . . . . . . . rr_2dx3 1 . 3 . 817 . 1 1 14 VAL HG13 H 4.925 3.752 -6.130 . . . 1.0 . . . . . . . . . . . . A . 14 VAL HG13 . . . . . . . . . rr_2dx3 1 . 3 . 818 . 1 1 14 VAL HG21 H 2.859 3.806 -4.544 . . . 1.0 . . . . . . . . . . . . A . 14 VAL HG21 . . . . . . . . . rr_2dx3 1 . 3 . 819 . 1 1 14 VAL HG22 H 2.281 5.393 -3.984 . . . 1.0 . . . . . . . . . . . . A . 14 VAL HG22 . . . . . . . . . rr_2dx3 1 . 3 . 820 . 1 1 14 VAL HG23 H 2.143 4.952 -5.703 . . . 1.0 . . . . . . . . . . . . A . 14 VAL HG23 . . . . . . . . . rr_2dx3 1 . 3 . 821 . 1 1 14 VAL N N 4.240 5.822 -2.657 . . . 1.0 . . . . . . . . . . . . A . 14 VAL N . . . . . . . . . rr_2dx3 1 . 3 . 822 . 1 1 14 VAL O O 4.399 8.693 -4.686 . . . 1.0 . . . . . . . . . . . . A . 14 VAL O . . . . . . . . . rr_2dx3 1 . 3 . 823 . 1 1 15 HIS C C 2.252 9.919 -2.167 . . . 1.0 . . . . . . . . . . . . A . 15 HIS C . . . . . . . . . rr_2dx3 1 . 3 . 824 . 1 1 15 HIS CA C 1.953 9.121 -3.438 . . . 1.0 . . . . . . . . . . . . A . 15 HIS CA . . . . . . . . . rr_2dx3 1 . 3 . 825 . 1 1 15 HIS CB C 0.459 8.846 -3.627 . . . 1.0 . . . . . . . . . . . . A . 15 HIS CB . . . . . . . . . rr_2dx3 1 . 3 . 826 . 1 1 15 HIS CD2 C 0.210 6.289 -3.143 . . . 1.0 . . . . . . . . . . . . A . 15 HIS CD2 . . . . . . . . . rr_2dx3 1 . 3 . 827 . 1 1 15 HIS CE1 C -0.520 5.669 -5.110 . . . 1.0 . . . . . . . . . . . . A . 15 HIS CE1 . . . . . . . . . rr_2dx3 1 . 3 . 828 . 1 1 15 HIS CG C 0.134 7.402 -3.928 . . . 1.0 . . . . . . . . . . . . A . 15 HIS CG . . . . . . . . . rr_2dx3 1 . 3 . 829 . 1 1 15 HIS H H 2.284 7.133 -2.911 . . . 1.0 . . . . . . . . . . . . A . 15 HIS H . . . . . . . . . rr_2dx3 1 . 3 . 830 . 1 1 15 HIS HA H 2.298 9.688 -4.302 . . . 1.0 . . . . . . . . . . . . A . 15 HIS HA . . . . . . . . . rr_2dx3 1 . 3 . 831 . 1 1 15 HIS HB2 H -0.072 9.147 -2.724 . . . 1.0 . . . . . . . . . . . . A . 15 HIS HB2 . . . . . . . . . rr_2dx3 1 . 3 . 832 . 1 1 15 HIS HB3 H 0.086 9.469 -4.440 . . . 1.0 . . . . . . . . . . . . A . 15 HIS HB3 . . . . . . . . . rr_2dx3 1 . 3 . 833 . 1 1 15 HIS HD1 H -0.491 7.563 -5.957 . . . 1.0 . . . . . . . . . . . . A . 15 HIS HD1 . . . . . . . . . rr_2dx3 1 . 3 . 834 . 1 1 15 HIS HD2 H 0.540 6.264 -2.104 . . . 1.0 . . . . . . . . . . . . A . 15 HIS HD2 . . . . . . . . . rr_2dx3 1 . 3 . 835 . 1 1 15 HIS HE1 H -0.881 5.042 -5.925 . . . 1.0 . . . . . . . . . . . . A . 15 HIS HE1 . . . . . . . . . rr_2dx3 1 . 3 . 836 . 1 1 15 HIS HE2 H -0.178 4.292 -3.550 . . . 1.0 . . . . . . . . . . . . A . 15 HIS HE2 . . . . . . . . . rr_2dx3 1 . 3 . 837 . 1 1 15 HIS N N 2.708 7.880 -3.423 . . . 1.0 . . . . . . . . . . . . A . 15 HIS N . . . . . . . . . rr_2dx3 1 . 3 . 838 . 1 1 15 HIS ND1 N -0.329 6.979 -5.161 . . . 1.0 . . . . . . . . . . . . A . 15 HIS ND1 . . . . . . . . . rr_2dx3 1 . 3 . 839 . 1 1 15 HIS NE2 N -0.186 5.244 -3.858 . . . 1.0 . . . . . . . . . . . . A . 15 HIS NE2 . . . . . . . . . rr_2dx3 1 . 3 . 840 . 1 1 15 HIS O O 2.114 11.141 -2.150 . . . 1.0 . . . . . . . . . . . . A . 15 HIS O . . . . . . . . . rr_2dx3 1 . 3 . 841 . 1 1 16 TRP C C 4.471 10.147 0.142 . . . 1.0 . . . . . . . . . . . . A . 16 TRP C . . . . . . . . . rr_2dx3 1 . 3 . 842 . 1 1 16 TRP CA C 2.976 9.820 0.139 . . . 1.0 . . . . . . . . . . . . A . 16 TRP CA . . . . . . . . . rr_2dx3 1 . 3 . 843 . 1 1 16 TRP CB C 2.557 8.927 1.309 . . . 1.0 . . . . . . . . . . . . A . 16 TRP CB . . . . . . . . . rr_2dx3 1 . 3 . 844 . 1 1 16 TRP CD1 C 4.201 7.763 2.922 . . . 1.0 . . . . . . . . . . . . A . 16 TRP CD1 . . . . . . . . . rr_2dx3 1 . 3 . 845 . 1 1 16 TRP CD2 C 4.113 9.959 3.198 . . . 1.0 . . . . . . . . . . . . A . 16 TRP CD2 . . . . . . . . . rr_2dx3 1 . 3 . 846 . 1 1 16 TRP CE2 C 5.020 9.464 4.113 . . . 1.0 . . . . . . . . . . . . A . 16 TRP CE2 . . . . . . . . . rr_2dx3 1 . 3 . 847 . 1 1 16 TRP CE3 C 3.829 11.334 3.117 . . . 1.0 . . . . . . . . . . . . A . 16 TRP CE3 . . . . . . . . . rr_2dx3 1 . 3 . 848 . 1 1 16 TRP CG C 3.591 8.851 2.434 . . . 1.0 . . . . . . . . . . . . A . 16 TRP CG . . . . . . . . . rr_2dx3 1 . 3 . 849 . 1 1 16 TRP CH2 C 5.449 11.648 4.956 . . . 1.0 . . . . . . . . . . . . A . 16 TRP CH2 . . . . . . . . . rr_2dx3 1 . 3 . 850 . 1 1 16 TRP CZ2 C 5.716 10.275 5.017 . . . 1.0 . . . . . . . . . . . . A . 16 TRP CZ2 . . . . . . . . . rr_2dx3 1 . 3 . 851 . 1 1 16 TRP CZ3 C 4.534 12.131 4.028 . . . 1.0 . . . . . . . . . . . . A . 16 TRP CZ3 . . . . . . . . . rr_2dx3 1 . 3 . 852 . 1 1 16 TRP H H 2.765 8.201 -1.156 . . . 1.0 . . . . . . . . . . . . A . 16 TRP H . . . . . . . . . rr_2dx3 1 . 3 . 853 . 1 1 16 TRP HA H 2.393 10.737 0.215 . . . 1.0 . . . . . . . . . . . . A . 16 TRP HA . . . . . . . . . rr_2dx3 1 . 3 . 854 . 1 1 16 TRP HB2 H 1.617 9.298 1.717 . . . 1.0 . . . . . . . . . . . . A . 16 TRP HB2 . . . . . . . . . rr_2dx3 1 . 3 . 855 . 1 1 16 TRP HB3 H 2.368 7.921 0.935 . . . 1.0 . . . . . . . . . . . . A . 16 TRP HB3 . . . . . . . . . rr_2dx3 1 . 3 . 856 . 1 1 16 TRP HD1 H 4.028 6.749 2.561 . . . 1.0 . . . . . . . . . . . . A . 16 TRP HD1 . . . . . . . . . rr_2dx3 1 . 3 . 857 . 1 1 16 TRP HE1 H 5.694 7.389 4.505 . . . 1.0 . . . . . . . . . . . . A . 16 TRP HE1 . . . . . . . . . rr_2dx3 1 . 3 . 858 . 1 1 16 TRP HE3 H 3.118 11.749 2.404 . . . 1.0 . . . . . . . . . . . . A . 16 TRP HE3 . . . . . . . . . rr_2dx3 1 . 3 . 859 . 1 1 16 TRP HH2 H 5.958 12.335 5.632 . . . 1.0 . . . . . . . . . . . . A . 16 TRP HH2 . . . . . . . . . rr_2dx3 1 . 3 . 860 . 1 1 16 TRP HZ2 H 6.428 9.860 5.731 . . . 1.0 . . . . . . . . . . . . A . 16 TRP HZ2 . . . . . . . . . rr_2dx3 1 . 3 . 861 . 1 1 16 TRP HZ3 H 4.351 13.205 4.008 . . . 1.0 . . . . . . . . . . . . A . 16 TRP HZ3 . . . . . . . . . rr_2dx3 1 . 3 . 862 . 1 1 16 TRP N N 2.656 9.195 -1.133 . . . 1.0 . . . . . . . . . . . . A . 16 TRP N . . . . . . . . . rr_2dx3 1 . 3 . 863 . 1 1 16 TRP NE1 N 5.075 8.086 3.940 . . . 1.0 . . . . . . . . . . . . A . 16 TRP NE1 . . . . . . . . . rr_2dx3 1 . 3 . 864 . 1 1 16 TRP O O 4.861 11.286 -0.113 . . . 1.0 . . . . . . . . . . . . A . 16 TRP O . . . . . . . . . rr_2dx3 1 . 3 . 865 . 1 1 17 THR C C 7.375 8.035 1.031 . . . 1.0 . . . . . . . . . . . . A . 17 THR C . . . . . . . . . rr_2dx3 1 . 3 . 866 . 1 1 17 THR CA C 6.710 9.294 0.472 . . . 1.0 . . . . . . . . . . . . A . 17 THR CA . . . . . . . . . rr_2dx3 1 . 3 . 867 . 1 1 17 THR CB C 7.019 10.555 1.282 . . . 1.0 . . . . . . . . . . . . A . 17 THR CB . . . . . . . . . rr_2dx3 1 . 3 . 868 . 1 1 17 THR CG2 C 8.018 10.295 2.412 . . . 1.0 . . . . . . . . . . . . A . 17 THR CG2 . . . . . . . . . rr_2dx3 1 . 3 . 869 . 1 1 17 THR H H 4.941 8.206 0.639 . . . 1.0 . . . . . . . . . . . . A . 17 THR H . . . . . . . . . rr_2dx3 1 . 3 . 870 . 1 1 17 THR HA H 7.069 9.420 -0.549 . . . 1.0 . . . . . . . . . . . . A . 17 THR HA . . . . . . . . . rr_2dx3 1 . 3 . 871 . 1 1 17 THR HB H 6.104 11.004 1.667 . . . 1.0 . . . . . . . . . . . . A . 17 THR HB . . . . . . . . . rr_2dx3 1 . 3 . 872 . 1 1 17 THR HG1 H 7.137 11.658 -0.384 . . . 1.0 . . . . . . . . . . . . A . 17 THR HG1 . . . . . . . . . rr_2dx3 1 . 3 . 873 . 1 1 17 THR HG21 H 8.122 11.194 3.018 . . . 1.0 . . . . . . . . . . . . A . 17 THR HG21 . . . . . . . . . rr_2dx3 1 . 3 . 874 . 1 1 17 THR HG22 H 7.657 9.476 3.034 . . . 1.0 . . . . . . . . . . . . A . 17 THR HG22 . . . . . . . . . rr_2dx3 1 . 3 . 875 . 1 1 17 THR HG23 H 8.986 10.029 1.987 . . . 1.0 . . . . . . . . . . . . A . 17 THR HG23 . . . . . . . . . rr_2dx3 1 . 3 . 876 . 1 1 17 THR N N 5.267 9.129 0.433 . . . 1.0 . . . . . . . . . . . . A . 17 THR N . . . . . . . . . rr_2dx3 1 . 3 . 877 . 1 1 17 THR O O 6.739 7.251 1.734 . . . 1.0 . . . . . . . . . . . . A . 17 THR O . . . . . . . . . rr_2dx3 1 . 3 . 878 . 1 1 17 THR OG1 O 7.734 11.386 0.371 . . . 1.0 . . . . . . . . . . . . A . 17 THR OG1 . . . . . . . . . rr_2dx3 1 . 3 . 879 . 1 1 18 ALA C C 10.887 6.934 0.824 . . . 1.0 . . . . . . . . . . . . A . 18 ALA C . . . . . . . . . rr_2dx3 1 . 3 . 880 . 1 1 18 ALA CA C 9.407 6.729 1.155 . . . 1.0 . . . . . . . . . . . . A . 18 ALA CA . . . . . . . . . rr_2dx3 1 . 3 . 881 . 1 1 18 ALA CB C 8.839 5.457 0.523 . . . 1.0 . . . . . . . . . . . . A . 18 ALA CB . . . . . . . . . rr_2dx3 1 . 3 . 882 . 1 1 18 ALA H H 9.158 8.521 0.124 . . . 1.0 . . . . . . . . . . . . A . 18 ALA H . . . . . . . . . rr_2dx3 1 . 3 . 883 . 1 1 18 ALA HA H 9.291 6.665 2.237 . . . 1.0 . . . . . . . . . . . . A . 18 ALA HA . . . . . . . . . rr_2dx3 1 . 3 . 884 . 1 1 18 ALA HB1 H 9.658 4.795 0.239 . . . 1.0 . . . . . . . . . . . . A . 18 ALA HB1 . . . . . . . . . rr_2dx3 1 . 3 . 885 . 1 1 18 ALA HB2 H 8.195 4.950 1.242 . . . 1.0 . . . . . . . . . . . . A . 18 ALA HB2 . . . . . . . . . rr_2dx3 1 . 3 . 886 . 1 1 18 ALA HB3 H 8.260 5.719 -0.362 . . . 1.0 . . . . . . . . . . . . A . 18 ALA HB3 . . . . . . . . . rr_2dx3 1 . 3 . 887 . 1 1 18 ALA N N 8.648 7.879 0.696 . . . 1.0 . . . . . . . . . . . . A . 18 ALA N . . . . . . . . . rr_2dx3 1 . 3 . 888 . 1 1 18 ALA O O 11.752 6.273 1.396 . . . 1.0 . . . . . . . . . . . . A . 18 ALA O . . . . . . . . . rr_2dx3 1 . 4 . 889 . 1 1 1 ILE C C -5.342 -10.699 2.460 . . . 1.0 . . . . . . . . . . . . A . 1 ILE C . . . . . . . . . rr_2dx3 1 . 4 . 890 . 1 1 1 ILE CA C -4.665 -11.435 3.618 . . . 1.0 . . . . . . . . . . . . A . 1 ILE CA . . . . . . . . . rr_2dx3 1 . 4 . 891 . 1 1 1 ILE CB C -3.412 -10.731 4.144 . . . 1.0 . . . . . . . . . . . . A . 1 ILE CB . . . . . . . . . rr_2dx3 1 . 4 . 892 . 1 1 1 ILE CD1 C -1.250 -11.658 5.054 . . . 1.0 . . . . . . . . . . . . A . 1 ILE CD1 . . . . . . . . . rr_2dx3 1 . 4 . 893 . 1 1 1 ILE CG1 C -2.760 -11.539 5.268 . . . 1.0 . . . . . . . . . . . . A . 1 ILE CG1 . . . . . . . . . rr_2dx3 1 . 4 . 894 . 1 1 1 ILE CG2 C -3.729 -9.299 4.578 . . . 1.0 . . . . . . . . . . . . A . 1 ILE CG2 . . . . . . . . . rr_2dx3 1 . 4 . 895 . 1 1 1 ILE H1 H -4.139 -12.901 2.236 . . . 1.0 . . . . . . . . . . . . A . 1 ILE H1 . . . . . . . . . rr_2dx3 1 . 4 . 896 . 1 1 1 ILE HA H -5.370 -11.499 4.447 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HA . . . . . . . . . rr_2dx3 1 . 4 . 897 . 1 1 1 ILE HB H -2.688 -10.669 3.331 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HB . . . . . . . . . rr_2dx3 1 . 4 . 898 . 1 1 1 ILE HD11 H -0.824 -12.306 5.819 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HD11 . . . . . . . . . rr_2dx3 1 . 4 . 899 . 1 1 1 ILE HD12 H -1.055 -12.082 4.069 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HD12 . . . . . . . . . rr_2dx3 1 . 4 . 900 . 1 1 1 ILE HD13 H -0.795 -10.670 5.120 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HD13 . . . . . . . . . rr_2dx3 1 . 4 . 901 . 1 1 1 ILE HG12 H -2.958 -11.061 6.227 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HG12 . . . . . . . . . rr_2dx3 1 . 4 . 902 . 1 1 1 ILE HG13 H -3.204 -12.534 5.310 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HG13 . . . . . . . . . rr_2dx3 1 . 4 . 903 . 1 1 1 ILE HG21 H -3.794 -9.254 5.665 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HG21 . . . . . . . . . rr_2dx3 1 . 4 . 904 . 1 1 1 ILE HG22 H -2.938 -8.632 4.234 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HG22 . . . . . . . . . rr_2dx3 1 . 4 . 905 . 1 1 1 ILE HG23 H -4.679 -8.989 4.143 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HG23 . . . . . . . . . rr_2dx3 1 . 4 . 906 . 1 1 1 ILE N N -4.351 -12.793 3.207 . . . 1.0 . . . . . . . . . . . . A . 1 ILE N . . . . . . . . . rr_2dx3 1 . 4 . 907 . 1 1 1 ILE O O -6.464 -11.032 2.081 . . . 1.0 . . . . . . . . . . . . A . 1 ILE O . . . . . . . . . rr_2dx3 1 . 4 . 908 . 1 1 2 ASN C C -3.987 -8.278 0.075 . . . 1.0 . . . . . . . . . . . . A . 2 ASN C . . . . . . . . . rr_2dx3 1 . 4 . 909 . 1 1 2 ASN CA C -5.152 -8.928 0.824 . . . 1.0 . . . . . . . . . . . . A . 2 ASN CA . . . . . . . . . rr_2dx3 1 . 4 . 910 . 1 1 2 ASN CB C -6.074 -7.814 1.324 . . . 1.0 . . . . . . . . . . . . A . 2 ASN CB . . . . . . . . . rr_2dx3 1 . 4 . 911 . 1 1 2 ASN CG C -7.212 -7.558 0.334 . . . 1.0 . . . . . . . . . . . . A . 2 ASN CG . . . . . . . . . rr_2dx3 1 . 4 . 912 . 1 1 2 ASN H H -3.721 -9.449 2.246 . . . 1.0 . . . . . . . . . . . . A . 2 ASN H . . . . . . . . . rr_2dx3 1 . 4 . 913 . 1 1 2 ASN HA H -5.704 -9.636 0.205 . . . 1.0 . . . . . . . . . . . . A . 2 ASN HA . . . . . . . . . rr_2dx3 1 . 4 . 914 . 1 1 2 ASN HB2 H -6.486 -8.086 2.296 . . . 1.0 . . . . . . . . . . . . A . 2 ASN HB2 . . . . . . . . . rr_2dx3 1 . 4 . 915 . 1 1 2 ASN HB3 H -5.499 -6.899 1.468 . . . 1.0 . . . . . . . . . . . . A . 2 ASN HB3 . . . . . . . . . rr_2dx3 1 . 4 . 916 . 1 1 2 ASN HD21 H -8.528 -7.854 1.843 . . . 1.0 . . . . . . . . . . . . A . 2 ASN HD21 . . . . . . . . . rr_2dx3 1 . 4 . 917 . 1 1 2 ASN HD22 H -9.235 -7.489 0.305 . . . 1.0 . . . . . . . . . . . . A . 2 ASN HD22 . . . . . . . . . rr_2dx3 1 . 4 . 918 . 1 1 2 ASN N N -4.633 -9.713 1.931 . . . 1.0 . . . . . . . . . . . . A . 2 ASN N . . . . . . . . . rr_2dx3 1 . 4 . 919 . 1 1 2 ASN ND2 N -8.425 -7.641 0.872 . . . 1.0 . . . . . . . . . . . . A . 2 ASN ND2 . . . . . . . . . rr_2dx3 1 . 4 . 920 . 1 1 2 ASN O O -2.957 -7.968 0.671 . . . 1.0 . . . . . . . . . . . . A . 2 ASN O . . . . . . . . . rr_2dx3 1 . 4 . 921 . 1 1 2 ASN OD1 O -7.002 -7.302 -0.840 . . . 1.0 . . . . . . . . . . . . A . 2 ASN OD1 . . . . . . . . . rr_2dx3 1 . 4 . 922 . 1 1 3 TYR C C -3.377 -5.971 -2.165 . . . 1.0 . . . . . . . . . . . . A . 3 TYR C . . . . . . . . . rr_2dx3 1 . 4 . 923 . 1 1 3 TYR CA C -3.169 -7.483 -2.057 . . . 1.0 . . . . . . . . . . . . A . 3 TYR CA . . . . . . . . . rr_2dx3 1 . 4 . 924 . 1 1 3 TYR CB C -3.334 -8.108 -3.444 . . . 1.0 . . . . . . . . . . . . A . 3 TYR CB . . . . . . . . . rr_2dx3 1 . 4 . 925 . 1 1 3 TYR CD1 C -1.919 -6.743 -5.023 . . . 1.0 . . . . . . . . . . . . A . 3 TYR CD1 . . . . . . . . . rr_2dx3 1 . 4 . 926 . 1 1 3 TYR CD2 C -1.214 -8.968 -4.505 . . . 1.0 . . . . . . . . . . . . A . 3 TYR CD2 . . . . . . . . . rr_2dx3 1 . 4 . 927 . 1 1 3 TYR CE1 C -0.773 -6.580 -5.879 . . . 1.0 . . . . . . . . . . . . A . 3 TYR CE1 . . . . . . . . . rr_2dx3 1 . 4 . 928 . 1 1 3 TYR CE2 C -0.068 -8.804 -5.361 . . . 1.0 . . . . . . . . . . . . A . 3 TYR CE2 . . . . . . . . . rr_2dx3 1 . 4 . 929 . 1 1 3 TYR CG C -2.116 -7.934 -4.354 . . . 1.0 . . . . . . . . . . . . A . 3 TYR CG . . . . . . . . . rr_2dx3 1 . 4 . 930 . 1 1 3 TYR CZ C 0.096 -7.618 -6.006 . . . 1.0 . . . . . . . . . . . . A . 3 TYR CZ . . . . . . . . . rr_2dx3 1 . 4 . 931 . 1 1 3 TYR H H -5.031 -8.346 -1.698 . . . 1.0 . . . . . . . . . . . . A . 3 TYR H . . . . . . . . . rr_2dx3 1 . 4 . 932 . 1 1 3 TYR HA H -2.199 -7.678 -1.600 . . . 1.0 . . . . . . . . . . . . A . 3 TYR HA . . . . . . . . . rr_2dx3 1 . 4 . 933 . 1 1 3 TYR HB2 H -3.540 -9.173 -3.330 . . . 1.0 . . . . . . . . . . . . A . 3 TYR HB2 . . . . . . . . . rr_2dx3 1 . 4 . 934 . 1 1 3 TYR HB3 H -4.203 -7.666 -3.930 . . . 1.0 . . . . . . . . . . . . A . 3 TYR HB3 . . . . . . . . . rr_2dx3 1 . 4 . 935 . 1 1 3 TYR HD1 H -2.631 -5.927 -4.903 . . . 1.0 . . . . . . . . . . . . A . 3 TYR HD1 . . . . . . . . . rr_2dx3 1 . 4 . 936 . 1 1 3 TYR HD2 H -1.370 -9.909 -3.977 . . . 1.0 . . . . . . . . . . . . A . 3 TYR HD2 . . . . . . . . . rr_2dx3 1 . 4 . 937 . 1 1 3 TYR HE1 H -0.605 -5.644 -6.413 . . . 1.0 . . . . . . . . . . . . A . 3 TYR HE1 . . . . . . . . . rr_2dx3 1 . 4 . 938 . 1 1 3 TYR HE2 H 0.652 -9.613 -5.490 . . . 1.0 . . . . . . . . . . . . A . 3 TYR HE2 . . . . . . . . . rr_2dx3 1 . 4 . 939 . 1 1 3 TYR HH H 1.940 -8.017 -6.477 . . . 1.0 . . . . . . . . . . . . A . 3 TYR HH . . . . . . . . . rr_2dx3 1 . 4 . 940 . 1 1 3 TYR N N -4.190 -8.091 -1.221 . . . 1.0 . . . . . . . . . . . . A . 3 TYR N . . . . . . . . . rr_2dx3 1 . 4 . 941 . 1 1 3 TYR O O -2.482 -5.248 -2.600 . . . 1.0 . . . . . . . . . . . . A . 3 TYR O . . . . . . . . . rr_2dx3 1 . 4 . 942 . 1 1 3 TYR OH O 1.179 -7.463 -6.815 . . . 1.0 . . . . . . . . . . . . A . 3 TYR OH . . . . . . . . . rr_2dx3 1 . 4 . 943 . 1 1 4 TRP C C -4.572 -3.519 -0.439 . . . 1.0 . . . . . . . . . . . . A . 4 TRP C . . . . . . . . . rr_2dx3 1 . 4 . 944 . 1 1 4 TRP CA C -4.898 -4.126 -1.805 . . . 1.0 . . . . . . . . . . . . A . 4 TRP CA . . . . . . . . . rr_2dx3 1 . 4 . 945 . 1 1 4 TRP CB C -6.357 -3.922 -2.217 . . . 1.0 . . . . . . . . . . . . A . 4 TRP CB . . . . . . . . . rr_2dx3 1 . 4 . 946 . 1 1 4 TRP CD1 C -7.559 -5.122 -4.161 . . . 1.0 . . . . . . . . . . . . A . 4 TRP CD1 . . . . . . . . . rr_2dx3 1 . 4 . 947 . 1 1 4 TRP CD2 C -5.972 -3.733 -4.839 . . . 1.0 . . . . . . . . . . . . A . 4 TRP CD2 . . . . . . . . . rr_2dx3 1 . 4 . 948 . 1 1 4 TRP CE2 C -6.530 -4.303 -5.965 . . . 1.0 . . . . . . . . . . . . A . 4 TRP CE2 . . . . . . . . . rr_2dx3 1 . 4 . 949 . 1 1 4 TRP CE3 C -4.927 -2.797 -4.932 . . . 1.0 . . . . . . . . . . . . A . 4 TRP CE3 . . . . . . . . . rr_2dx3 1 . 4 . 950 . 1 1 4 TRP CG C -6.645 -4.269 -3.679 . . . 1.0 . . . . . . . . . . . . A . 4 TRP CG . . . . . . . . . rr_2dx3 1 . 4 . 951 . 1 1 4 TRP CH2 C -5.069 -3.072 -7.383 . . . 1.0 . . . . . . . . . . . . A . 4 TRP CH2 . . . . . . . . . rr_2dx3 1 . 4 . 952 . 1 1 4 TRP CZ2 C -6.109 -4.001 -7.265 . . . 1.0 . . . . . . . . . . . . A . 4 TRP CZ2 . . . . . . . . . rr_2dx3 1 . 4 . 953 . 1 1 4 TRP CZ3 C -4.518 -2.506 -6.239 . . . 1.0 . . . . . . . . . . . . A . 4 TRP CZ3 . . . . . . . . . rr_2dx3 1 . 4 . 954 . 1 1 4 TRP H H -5.283 -6.134 -1.407 . . . 1.0 . . . . . . . . . . . . A . 4 TRP H . . . . . . . . . rr_2dx3 1 . 4 . 955 . 1 1 4 TRP HA H -4.282 -3.661 -2.575 . . . 1.0 . . . . . . . . . . . . A . 4 TRP HA . . . . . . . . . rr_2dx3 1 . 4 . 956 . 1 1 4 TRP HB2 H -6.993 -4.534 -1.578 . . . 1.0 . . . . . . . . . . . . A . 4 TRP HB2 . . . . . . . . . rr_2dx3 1 . 4 . 957 . 1 1 4 TRP HB3 H -6.632 -2.883 -2.040 . . . 1.0 . . . . . . . . . . . . A . 4 TRP HB3 . . . . . . . . . rr_2dx3 1 . 4 . 958 . 1 1 4 TRP HD1 H -8.244 -5.701 -3.541 . . . 1.0 . . . . . . . . . . . . A . 4 TRP HD1 . . . . . . . . . rr_2dx3 1 . 4 . 959 . 1 1 4 TRP HE1 H -8.163 -5.787 -6.177 . . . 1.0 . . . . . . . . . . . . A . 4 TRP HE1 . . . . . . . . . rr_2dx3 1 . 4 . 960 . 1 1 4 TRP HE3 H -4.470 -2.333 -4.058 . . . 1.0 . . . . . . . . . . . . A . 4 TRP HE3 . . . . . . . . . rr_2dx3 1 . 4 . 961 . 1 1 4 TRP HH2 H -4.694 -2.792 -8.367 . . . 1.0 . . . . . . . . . . . . A . 4 TRP HH2 . . . . . . . . . rr_2dx3 1 . 4 . 962 . 1 1 4 TRP HZ2 H -6.567 -4.466 -8.139 . . . 1.0 . . . . . . . . . . . . A . 4 TRP HZ2 . . . . . . . . . rr_2dx3 1 . 4 . 963 . 1 1 4 TRP HZ3 H -3.710 -1.786 -6.369 . . . 1.0 . . . . . . . . . . . . A . 4 TRP HZ3 . . . . . . . . . rr_2dx3 1 . 4 . 964 . 1 1 4 TRP N N -4.562 -5.539 -1.760 . . . 1.0 . . . . . . . . . . . . A . 4 TRP N . . . . . . . . . rr_2dx3 1 . 4 . 965 . 1 1 4 TRP NE1 N -7.526 -5.174 -5.539 . . . 1.0 . . . . . . . . . . . . A . 4 TRP NE1 . . . . . . . . . rr_2dx3 1 . 4 . 966 . 1 1 4 TRP O O -4.100 -2.386 -0.356 . . . 1.0 . . . . . . . . . . . . A . 4 TRP O . . . . . . . . . rr_2dx3 1 . 4 . 967 . 1 1 5 LEU C C -3.170 -4.278 2.369 . . . 1.0 . . . . . . . . . . . . A . 5 LEU C . . . . . . . . . rr_2dx3 1 . 4 . 968 . 1 1 5 LEU CA C -4.580 -3.852 1.957 . . . 1.0 . . . . . . . . . . . . A . 5 LEU CA . . . . . . . . . rr_2dx3 1 . 4 . 969 . 1 1 5 LEU CB C -5.675 -4.351 2.902 . . . 1.0 . . . . . . . . . . . . A . 5 LEU CB . . . . . . . . . rr_2dx3 1 . 4 . 970 . 1 1 5 LEU CD1 C -7.145 -2.822 1.539 . . . 1.0 . . . . . . . . . . . . A . 5 LEU CD1 . . . . . . . . . rr_2dx3 1 . 4 . 971 . 1 1 5 LEU CD2 C -7.831 -5.232 1.936 . . . 1.0 . . . . . . . . . . . . A . 5 LEU CD2 . . . . . . . . . rr_2dx3 1 . 4 . 972 . 1 1 5 LEU CG C -7.112 -4.007 2.506 . . . 1.0 . . . . . . . . . . . . A . 5 LEU CG . . . . . . . . . rr_2dx3 1 . 4 . 973 . 1 1 5 LEU H H -5.223 -5.219 0.522 . . . 1.0 . . . . . . . . . . . . A . 5 LEU H . . . . . . . . . rr_2dx3 1 . 4 . 974 . 1 1 5 LEU HA H -4.626 -2.763 1.957 . . . 1.0 . . . . . . . . . . . . A . 5 LEU HA . . . . . . . . . rr_2dx3 1 . 4 . 975 . 1 1 5 LEU HB2 H -5.591 -5.435 2.984 . . . 1.0 . . . . . . . . . . . . A . 5 LEU HB2 . . . . . . . . . rr_2dx3 1 . 4 . 976 . 1 1 5 LEU HB3 H -5.485 -3.941 3.894 . . . 1.0 . . . . . . . . . . . . A . 5 LEU HB3 . . . . . . . . . rr_2dx3 1 . 4 . 977 . 1 1 5 LEU HD11 H -6.479 -2.039 1.902 . . . 1.0 . . . . . . . . . . . . A . 5 LEU HD11 . . . . . . . . . rr_2dx3 1 . 4 . 978 . 1 1 5 LEU HD12 H -6.819 -3.148 0.552 . . . 1.0 . . . . . . . . . . . . A . 5 LEU HD12 . . . . . . . . . rr_2dx3 1 . 4 . 979 . 1 1 5 LEU HD13 H -8.162 -2.433 1.475 . . . 1.0 . . . . . . . . . . . . A . 5 LEU HD13 . . . . . . . . . rr_2dx3 1 . 4 . 980 . 1 1 5 LEU HD21 H -7.422 -6.136 2.387 . . . 1.0 . . . . . . . . . . . . A . 5 LEU HD21 . . . . . . . . . rr_2dx3 1 . 4 . 981 . 1 1 5 LEU HD22 H -8.896 -5.164 2.159 . . . 1.0 . . . . . . . . . . . . A . 5 LEU HD22 . . . . . . . . . rr_2dx3 1 . 4 . 982 . 1 1 5 LEU HD23 H -7.687 -5.267 0.856 . . . 1.0 . . . . . . . . . . . . A . 5 LEU HD23 . . . . . . . . . rr_2dx3 1 . 4 . 983 . 1 1 5 LEU HG H -7.652 -3.706 3.403 . . . 1.0 . . . . . . . . . . . . A . 5 LEU HG . . . . . . . . . rr_2dx3 1 . 4 . 984 . 1 1 5 LEU N N -4.839 -4.299 0.599 . . . 1.0 . . . . . . . . . . . . A . 5 LEU N . . . . . . . . . rr_2dx3 1 . 4 . 985 . 1 1 5 LEU O O -2.896 -4.466 3.554 . . . 1.0 . . . . . . . . . . . . A . 5 LEU O . . . . . . . . . rr_2dx3 1 . 4 . 986 . 1 1 6 ALA C C -0.009 -4.032 0.685 . . . 1.0 . . . . . . . . . . . . A . 6 ALA C . . . . . . . . . rr_2dx3 1 . 4 . 987 . 1 1 6 ALA CA C -0.937 -4.818 1.614 . . . 1.0 . . . . . . . . . . . . A . 6 ALA CA . . . . . . . . . rr_2dx3 1 . 4 . 988 . 1 1 6 ALA CB C -0.804 -6.331 1.426 . . . 1.0 . . . . . . . . . . . . A . 6 ALA CB . . . . . . . . . rr_2dx3 1 . 4 . 989 . 1 1 6 ALA H H -2.543 -4.263 0.409 . . . 1.0 . . . . . . . . . . . . A . 6 ALA H . . . . . . . . . rr_2dx3 1 . 4 . 990 . 1 1 6 ALA HA H -0.698 -4.570 2.648 . . . 1.0 . . . . . . . . . . . . A . 6 ALA HA . . . . . . . . . rr_2dx3 1 . 4 . 991 . 1 1 6 ALA HB1 H -1.211 -6.614 0.455 . . . 1.0 . . . . . . . . . . . . A . 6 ALA HB1 . . . . . . . . . rr_2dx3 1 . 4 . 992 . 1 1 6 ALA HB2 H 0.247 -6.612 1.476 . . . 1.0 . . . . . . . . . . . . A . 6 ALA HB2 . . . . . . . . . rr_2dx3 1 . 4 . 993 . 1 1 6 ALA HB3 H -1.355 -6.844 2.214 . . . 1.0 . . . . . . . . . . . . A . 6 ALA HB3 . . . . . . . . . rr_2dx3 1 . 4 . 994 . 1 1 6 ALA N N -2.312 -4.418 1.369 . . . 1.0 . . . . . . . . . . . . A . 6 ALA N . . . . . . . . . rr_2dx3 1 . 4 . 995 . 1 1 6 ALA O O 1.004 -3.492 1.126 . . . 1.0 . . . . . . . . . . . . A . 6 ALA O . . . . . . . . . rr_2dx3 1 . 4 . 996 . 1 1 7 HIS C C -0.108 -1.843 -1.698 . . . 1.0 . . . . . . . . . . . . A . 7 HIS C . . . . . . . . . rr_2dx3 1 . 4 . 997 . 1 1 7 HIS CA C 0.397 -3.282 -1.578 . . . 1.0 . . . . . . . . . . . . A . 7 HIS CA . . . . . . . . . rr_2dx3 1 . 4 . 998 . 1 1 7 HIS CB C 0.385 -4.028 -2.914 . . . 1.0 . . . . . . . . . . . . A . 7 HIS CB . . . . . . . . . rr_2dx3 1 . 4 . 999 . 1 1 7 HIS CD2 C 1.354 -6.178 -1.788 . . . 1.0 . . . . . . . . . . . . A . 7 HIS CD2 . . . . . . . . . rr_2dx3 1 . 4 . 1000 . 1 1 7 HIS CE1 C 1.843 -7.290 -3.608 . . . 1.0 . . . . . . . . . . . . A . 7 HIS CE1 . . . . . . . . . rr_2dx3 1 . 4 . 1001 . 1 1 7 HIS CG C 1.002 -5.405 -2.855 . . . 1.0 . . . . . . . . . . . . A . 7 HIS CG . . . . . . . . . rr_2dx3 1 . 4 . 1002 . 1 1 7 HIS H H -1.214 -4.435 -0.934 . . . 1.0 . . . . . . . . . . . . A . 7 HIS H . . . . . . . . . rr_2dx3 1 . 4 . 1003 . 1 1 7 HIS HA H 1.424 -3.269 -1.214 . . . 1.0 . . . . . . . . . . . . A . 7 HIS HA . . . . . . . . . rr_2dx3 1 . 4 . 1004 . 1 1 7 HIS HB2 H -0.645 -4.117 -3.260 . . . 1.0 . . . . . . . . . . . . A . 7 HIS HB2 . . . . . . . . . rr_2dx3 1 . 4 . 1005 . 1 1 7 HIS HB3 H 0.919 -3.433 -3.655 . . . 1.0 . . . . . . . . . . . . A . 7 HIS HB3 . . . . . . . . . rr_2dx3 1 . 4 . 1006 . 1 1 7 HIS HD1 H 1.184 -5.834 -4.933 . . . 1.0 . . . . . . . . . . . . A . 7 HIS HD1 . . . . . . . . . rr_2dx3 1 . 4 . 1007 . 1 1 7 HIS HD2 H 1.239 -5.907 -0.739 . . . 1.0 . . . . . . . . . . . . A . 7 HIS HD2 . . . . . . . . . rr_2dx3 1 . 4 . 1008 . 1 1 7 HIS HE1 H 2.194 -8.082 -4.270 . . . 1.0 . . . . . . . . . . . . A . 7 HIS HE1 . . . . . . . . . rr_2dx3 1 . 4 . 1009 . 1 1 7 HIS HE2 H 2.252 -8.046 -1.683 . . . 1.0 . . . . . . . . . . . . A . 7 HIS HE2 . . . . . . . . . rr_2dx3 1 . 4 . 1010 . 1 1 7 HIS N N -0.389 -3.993 -0.584 . . . 1.0 . . . . . . . . . . . . A . 7 HIS N . . . . . . . . . rr_2dx3 1 . 4 . 1011 . 1 1 7 HIS ND1 N 1.322 -6.132 -3.988 . . . 1.0 . . . . . . . . . . . . A . 7 HIS ND1 . . . . . . . . . rr_2dx3 1 . 4 . 1012 . 1 1 7 HIS NE2 N 1.861 -7.317 -2.245 . . . 1.0 . . . . . . . . . . . . A . 7 HIS NE2 . . . . . . . . . rr_2dx3 1 . 4 . 1013 . 1 1 7 HIS O O 0.684 -0.915 -1.855 . . . 1.0 . . . . . . . . . . . . A . 7 HIS O . . . . . . . . . rr_2dx3 1 . 4 . 1014 . 1 1 8 ALA C C -1.861 0.353 -0.392 . . . 1.0 . . . . . . . . . . . . A . 8 ALA C . . . . . . . . . rr_2dx3 1 . 4 . 1015 . 1 1 8 ALA CA C -2.042 -0.392 -1.716 . . . 1.0 . . . . . . . . . . . . A . 8 ALA CA . . . . . . . . . rr_2dx3 1 . 4 . 1016 . 1 1 8 ALA CB C -3.515 -0.551 -2.098 . . . 1.0 . . . . . . . . . . . . A . 8 ALA CB . . . . . . . . . rr_2dx3 1 . 4 . 1017 . 1 1 8 ALA H H -2.060 -2.463 -1.490 . . . 1.0 . . . . . . . . . . . . A . 8 ALA H . . . . . . . . . rr_2dx3 1 . 4 . 1018 . 1 1 8 ALA HA H -1.532 0.159 -2.506 . . . 1.0 . . . . . . . . . . . . A . 8 ALA HA . . . . . . . . . rr_2dx3 1 . 4 . 1019 . 1 1 8 ALA HB1 H -3.742 0.094 -2.947 . . . 1.0 . . . . . . . . . . . . A . 8 ALA HB1 . . . . . . . . . rr_2dx3 1 . 4 . 1020 . 1 1 8 ALA HB2 H -3.711 -1.588 -2.367 . . . 1.0 . . . . . . . . . . . . A . 8 ALA HB2 . . . . . . . . . rr_2dx3 1 . 4 . 1021 . 1 1 8 ALA HB3 H -4.143 -0.270 -1.252 . . . 1.0 . . . . . . . . . . . . A . 8 ALA HB3 . . . . . . . . . rr_2dx3 1 . 4 . 1022 . 1 1 8 ALA N N -1.423 -1.702 -1.618 . . . 1.0 . . . . . . . . . . . . A . 8 ALA N . . . . . . . . . rr_2dx3 1 . 4 . 1023 . 1 1 8 ALA O O -2.139 1.548 -0.304 . . . 1.0 . . . . . . . . . . . . A . 8 ALA O . . . . . . . . . rr_2dx3 1 . 4 . 1024 . 1 1 9 LYS C C 0.315 0.503 2.093 . . . 1.0 . . . . . . . . . . . . A . 9 LYS C . . . . . . . . . rr_2dx3 1 . 4 . 1025 . 1 1 9 LYS CA C -1.173 0.192 1.922 . . . 1.0 . . . . . . . . . . . . A . 9 LYS CA . . . . . . . . . rr_2dx3 1 . 4 . 1026 . 1 1 9 LYS CB C -1.739 -0.723 3.010 . . . 1.0 . . . . . . . . . . . . A . 9 LYS CB . . . . . . . . . rr_2dx3 1 . 4 . 1027 . 1 1 9 LYS CD C -2.745 -0.803 5.320 . . . 1.0 . . . . . . . . . . . . A . 9 LYS CD . . . . . . . . . rr_2dx3 1 . 4 . 1028 . 1 1 9 LYS CE C -3.594 -0.040 6.340 . . . 1.0 . . . . . . . . . . . . A . 9 LYS CE . . . . . . . . . rr_2dx3 1 . 4 . 1029 . 1 1 9 LYS CG C -2.374 0.093 4.137 . . . 1.0 . . . . . . . . . . . . A . 9 LYS CG . . . . . . . . . rr_2dx3 1 . 4 . 1030 . 1 1 9 LYS H H -1.172 -1.355 0.527 . . . 1.0 . . . . . . . . . . . . A . 9 LYS H . . . . . . . . . rr_2dx3 1 . 4 . 1031 . 1 1 9 LYS HA H -1.729 1.128 1.967 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HA . . . . . . . . . rr_2dx3 1 . 4 . 1032 . 1 1 9 LYS HB2 H -2.482 -1.393 2.577 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HB2 . . . . . . . . . rr_2dx3 1 . 4 . 1033 . 1 1 9 LYS HB3 H -0.943 -1.350 3.413 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HB3 . . . . . . . . . rr_2dx3 1 . 4 . 1034 . 1 1 9 LYS HD2 H -3.295 -1.674 4.964 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HD2 . . . . . . . . . rr_2dx3 1 . 4 . 1035 . 1 1 9 LYS HD3 H -1.839 -1.172 5.800 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HD3 . . . . . . . . . rr_2dx3 1 . 4 . 1036 . 1 1 9 LYS HE2 H -3.300 1.010 6.354 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HE2 . . . . . . . . . rr_2dx3 1 . 4 . 1037 . 1 1 9 LYS HE3 H -4.643 -0.074 6.047 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HE3 . . . . . . . . . rr_2dx3 1 . 4 . 1038 . 1 1 9 LYS HG2 H -1.681 0.867 4.465 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HG2 . . . . . . . . . rr_2dx3 1 . 4 . 1039 . 1 1 9 LYS HG3 H -3.265 0.600 3.766 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HG3 . . . . . . . . . rr_2dx3 1 . 4 . 1040 . 1 1 9 LYS HZ1 H -2.550 -1.093 7.747 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HZ1 . . . . . . . . . rr_2dx3 1 . 4 . 1041 . 1 1 9 LYS HZ2 H -3.466 0.103 8.375 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HZ2 . . . . . . . . . rr_2dx3 1 . 4 . 1042 . 1 1 9 LYS HZ3 H -4.168 -1.279 7.861 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HZ3 . . . . . . . . . rr_2dx3 1 . 4 . 1043 . 1 1 9 LYS N N -1.395 -0.384 0.606 . . . 1.0 . . . . . . . . . . . . A . 9 LYS N . . . . . . . . . rr_2dx3 1 . 4 . 1044 . 1 1 9 LYS NZ N -3.431 -0.625 7.690 . . . 1.0 . . . . . . . . . . . . A . 9 LYS NZ . . . . . . . . . rr_2dx3 1 . 4 . 1045 . 1 1 9 LYS O O 0.681 1.614 2.475 . . . 1.0 . . . . . . . . . . . . A . 9 LYS O . . . . . . . . . rr_2dx3 1 . 4 . 1046 . 1 1 10 ALA C C 3.106 0.388 0.684 . . . 1.0 . . . . . . . . . . . . A . 10 ALA C . . . . . . . . . rr_2dx3 1 . 4 . 1047 . 1 1 10 ALA CA C 2.574 -0.344 1.917 . . . 1.0 . . . . . . . . . . . . A . 10 ALA CA . . . . . . . . . rr_2dx3 1 . 4 . 1048 . 1 1 10 ALA CB C 3.220 -1.718 2.104 . . . 1.0 . . . . . . . . . . . . A . 10 ALA CB . . . . . . . . . rr_2dx3 1 . 4 . 1049 . 1 1 10 ALA H H 0.828 -1.397 1.490 . . . 1.0 . . . . . . . . . . . . A . 10 ALA H . . . . . . . . . rr_2dx3 1 . 4 . 1050 . 1 1 10 ALA HA H 2.773 0.261 2.802 . . . 1.0 . . . . . . . . . . . . A . 10 ALA HA . . . . . . . . . rr_2dx3 1 . 4 . 1051 . 1 1 10 ALA HB1 H 4.304 -1.608 2.137 . . . 1.0 . . . . . . . . . . . . A . 10 ALA HB1 . . . . . . . . . rr_2dx3 1 . 4 . 1052 . 1 1 10 ALA HB2 H 2.871 -2.160 3.037 . . . 1.0 . . . . . . . . . . . . A . 10 ALA HB2 . . . . . . . . . rr_2dx3 1 . 4 . 1053 . 1 1 10 ALA HB3 H 2.946 -2.365 1.270 . . . 1.0 . . . . . . . . . . . . A . 10 ALA HB3 . . . . . . . . . rr_2dx3 1 . 4 . 1054 . 1 1 10 ALA N N 1.134 -0.497 1.801 . . . 1.0 . . . . . . . . . . . . A . 10 ALA N . . . . . . . . . rr_2dx3 1 . 4 . 1055 . 1 1 10 ALA O O 4.051 1.169 0.781 . . . 1.0 . . . . . . . . . . . . A . 10 ALA O . . . . . . . . . rr_2dx3 1 . 4 . 1056 . 1 1 11 GLY C C 2.229 2.110 -1.856 . . . 1.0 . . . . . . . . . . . . A . 11 GLY C . . . . . . . . . rr_2dx3 1 . 4 . 1057 . 1 1 11 GLY CA C 2.874 0.732 -1.699 . . . 1.0 . . . . . . . . . . . . A . 11 GLY CA . . . . . . . . . rr_2dx3 1 . 4 . 1058 . 1 1 11 GLY H H 1.708 -0.527 -0.518 . . . 1.0 . . . . . . . . . . . . A . 11 GLY H . . . . . . . . . rr_2dx3 1 . 4 . 1059 . 1 1 11 GLY HA2 H 3.960 0.829 -1.732 . . . 1.0 . . . . . . . . . . . . A . 11 GLY HA2 . . . . . . . . . rr_2dx3 1 . 4 . 1060 . 1 1 11 GLY HA3 H 2.586 0.094 -2.534 . . . 1.0 . . . . . . . . . . . . A . 11 GLY HA3 . . . . . . . . . rr_2dx3 1 . 4 . 1061 . 1 1 11 GLY N N 2.476 0.110 -0.448 . . . 1.0 . . . . . . . . . . . . A . 11 GLY N . . . . . . . . . rr_2dx3 1 . 4 . 1062 . 1 1 11 GLY O O 2.266 2.698 -2.936 . . . 1.0 . . . . . . . . . . . . A . 11 GLY O . . . . . . . . . rr_2dx3 1 . 4 . 1063 . 1 1 12 TYR C C 1.993 4.998 -0.428 . . . 1.0 . . . . . . . . . . . . A . 12 TYR C . . . . . . . . . rr_2dx3 1 . 4 . 1064 . 1 1 12 TYR CA C 0.999 3.884 -0.764 . . . 1.0 . . . . . . . . . . . . A . 12 TYR CA . . . . . . . . . rr_2dx3 1 . 4 . 1065 . 1 1 12 TYR CB C -0.068 3.821 0.330 . . . 1.0 . . . . . . . . . . . . A . 12 TYR CB . . . . . . . . . rr_2dx3 1 . 4 . 1066 . 1 1 12 TYR CD1 C 1.741 3.904 2.084 . . . 1.0 . . . . . . . . . . . . A . 12 TYR CD1 . . . . . . . . . rr_2dx3 1 . 4 . 1067 . 1 1 12 TYR CD2 C -0.393 4.844 2.612 . . . 1.0 . . . . . . . . . . . . A . 12 TYR CD2 . . . . . . . . . rr_2dx3 1 . 4 . 1068 . 1 1 12 TYR CE1 C 2.222 4.262 3.393 . . . 1.0 . . . . . . . . . . . . A . 12 TYR CE1 . . . . . . . . . rr_2dx3 1 . 4 . 1069 . 1 1 12 TYR CE2 C 0.089 5.202 3.921 . . . 1.0 . . . . . . . . . . . . A . 12 TYR CE2 . . . . . . . . . rr_2dx3 1 . 4 . 1070 . 1 1 12 TYR CG C 0.443 4.202 1.721 . . . 1.0 . . . . . . . . . . . . A . 12 TYR CG . . . . . . . . . rr_2dx3 1 . 4 . 1071 . 1 1 12 TYR CZ C 1.372 4.893 4.247 . . . 1.0 . . . . . . . . . . . . A . 12 TYR CZ . . . . . . . . . rr_2dx3 1 . 4 . 1072 . 1 1 12 TYR H H 1.626 2.102 0.112 . . . 1.0 . . . . . . . . . . . . A . 12 TYR H . . . . . . . . . rr_2dx3 1 . 4 . 1073 . 1 1 12 TYR HA H 0.596 4.056 -1.762 . . . 1.0 . . . . . . . . . . . . A . 12 TYR HA . . . . . . . . . rr_2dx3 1 . 4 . 1074 . 1 1 12 TYR HB2 H -0.889 4.487 0.061 . . . 1.0 . . . . . . . . . . . . A . 12 TYR HB2 . . . . . . . . . rr_2dx3 1 . 4 . 1075 . 1 1 12 TYR HB3 H -0.476 2.811 0.368 . . . 1.0 . . . . . . . . . . . . A . 12 TYR HB3 . . . . . . . . . rr_2dx3 1 . 4 . 1076 . 1 1 12 TYR HD1 H 2.401 3.397 1.380 . . . 1.0 . . . . . . . . . . . . A . 12 TYR HD1 . . . . . . . . . rr_2dx3 1 . 4 . 1077 . 1 1 12 TYR HD2 H -1.418 5.079 2.324 . . . 1.0 . . . . . . . . . . . . A . 12 TYR HD2 . . . . . . . . . rr_2dx3 1 . 4 . 1078 . 1 1 12 TYR HE1 H 3.245 4.032 3.693 . . . 1.0 . . . . . . . . . . . . A . 12 TYR HE1 . . . . . . . . . rr_2dx3 1 . 4 . 1079 . 1 1 12 TYR HE2 H -0.561 5.709 4.634 . . . 1.0 . . . . . . . . . . . . A . 12 TYR HE2 . . . . . . . . . rr_2dx3 1 . 4 . 1080 . 1 1 12 TYR HH H 1.099 5.674 6.006 . . . 1.0 . . . . . . . . . . . . A . 12 TYR HH . . . . . . . . . rr_2dx3 1 . 4 . 1081 . 1 1 12 TYR N N 1.652 2.586 -0.762 . . . 1.0 . . . . . . . . . . . . A . 12 TYR N . . . . . . . . . rr_2dx3 1 . 4 . 1082 . 1 1 12 TYR O O 1.596 6.079 0.005 . . . 1.0 . . . . . . . . . . . . A . 12 TYR O . . . . . . . . . rr_2dx3 1 . 4 . 1083 . 1 1 12 TYR OH O 1.827 5.232 5.483 . . . 1.0 . . . . . . . . . . . . A . 12 TYR OH . . . . . . . . . rr_2dx3 1 . 4 . 1084 . 1 1 13 ILE C C 4.754 6.319 -1.674 . . . 1.0 . . . . . . . . . . . . A . 13 ILE C . . . . . . . . . rr_2dx3 1 . 4 . 1085 . 1 1 13 ILE CA C 4.319 5.658 -0.365 . . . 1.0 . . . . . . . . . . . . A . 13 ILE CA . . . . . . . . . rr_2dx3 1 . 4 . 1086 . 1 1 13 ILE CB C 5.465 4.994 0.400 . . . 1.0 . . . . . . . . . . . . A . 13 ILE CB . . . . . . . . . rr_2dx3 1 . 4 . 1087 . 1 1 13 ILE CD1 C 6.172 3.911 -1.765 . . . 1.0 . . . . . . . . . . . . A . 13 ILE CD1 . . . . . . . . . rr_2dx3 1 . 4 . 1088 . 1 1 13 ILE CG1 C 5.893 3.690 -0.277 . . . 1.0 . . . . . . . . . . . . A . 13 ILE CG1 . . . . . . . . . rr_2dx3 1 . 4 . 1089 . 1 1 13 ILE CG2 C 5.094 4.782 1.869 . . . 1.0 . . . . . . . . . . . . A . 13 ILE CG2 . . . . . . . . . rr_2dx3 1 . 4 . 1090 . 1 1 13 ILE H H 3.580 3.815 -0.992 . . . 1.0 . . . . . . . . . . . . A . 13 ILE H . . . . . . . . . rr_2dx3 1 . 4 . 1091 . 1 1 13 ILE HA H 3.899 6.425 0.287 . . . 1.0 . . . . . . . . . . . . A . 13 ILE HA . . . . . . . . . rr_2dx3 1 . 4 . 1092 . 1 1 13 ILE HB H 6.324 5.664 0.379 . . . 1.0 . . . . . . . . . . . . A . 13 ILE HB . . . . . . . . . rr_2dx3 1 . 4 . 1093 . 1 1 13 ILE HD11 H 6.657 4.877 -1.904 . . . 1.0 . . . . . . . . . . . . A . 13 ILE HD11 . . . . . . . . . rr_2dx3 1 . 4 . 1094 . 1 1 13 ILE HD12 H 6.825 3.120 -2.134 . . . 1.0 . . . . . . . . . . . . A . 13 ILE HD12 . . . . . . . . . rr_2dx3 1 . 4 . 1095 . 1 1 13 ILE HD13 H 5.232 3.893 -2.318 . . . 1.0 . . . . . . . . . . . . A . 13 ILE HD13 . . . . . . . . . rr_2dx3 1 . 4 . 1096 . 1 1 13 ILE HG12 H 6.786 3.299 0.210 . . . 1.0 . . . . . . . . . . . . A . 13 ILE HG12 . . . . . . . . . rr_2dx3 1 . 4 . 1097 . 1 1 13 ILE HG13 H 5.110 2.940 -0.158 . . . 1.0 . . . . . . . . . . . . A . 13 ILE HG13 . . . . . . . . . rr_2dx3 1 . 4 . 1098 . 1 1 13 ILE HG21 H 4.012 4.851 1.984 . . . 1.0 . . . . . . . . . . . . A . 13 ILE HG21 . . . . . . . . . rr_2dx3 1 . 4 . 1099 . 1 1 13 ILE HG22 H 5.431 3.796 2.190 . . . 1.0 . . . . . . . . . . . . A . 13 ILE HG22 . . . . . . . . . rr_2dx3 1 . 4 . 1100 . 1 1 13 ILE HG23 H 5.574 5.547 2.479 . . . 1.0 . . . . . . . . . . . . A . 13 ILE HG23 . . . . . . . . . rr_2dx3 1 . 4 . 1101 . 1 1 13 ILE N N 3.265 4.696 -0.640 . . . 1.0 . . . . . . . . . . . . A . 13 ILE N . . . . . . . . . rr_2dx3 1 . 4 . 1102 . 1 1 13 ILE O O 5.613 7.201 -1.673 . . . 1.0 . . . . . . . . . . . . A . 13 ILE O . . . . . . . . . rr_2dx3 1 . 4 . 1103 . 1 1 14 VAL C C 3.773 7.764 -4.240 . . . 1.0 . . . . . . . . . . . . A . 14 VAL C . . . . . . . . . rr_2dx3 1 . 4 . 1104 . 1 1 14 VAL CA C 4.457 6.406 -4.072 . . . 1.0 . . . . . . . . . . . . A . 14 VAL CA . . . . . . . . . rr_2dx3 1 . 4 . 1105 . 1 1 14 VAL CB C 4.064 5.400 -5.157 . . . 1.0 . . . . . . . . . . . . A . 14 VAL CB . . . . . . . . . rr_2dx3 1 . 4 . 1106 . 1 1 14 VAL CG1 C 4.497 5.888 -6.540 . . . 1.0 . . . . . . . . . . . . A . 14 VAL CG1 . . . . . . . . . rr_2dx3 1 . 4 . 1107 . 1 1 14 VAL CG2 C 4.644 4.016 -4.857 . . . 1.0 . . . . . . . . . . . . A . 14 VAL CG2 . . . . . . . . . rr_2dx3 1 . 4 . 1108 . 1 1 14 VAL H H 3.446 5.152 -2.752 . . . 1.0 . . . . . . . . . . . . A . 14 VAL H . . . . . . . . . rr_2dx3 1 . 4 . 1109 . 1 1 14 VAL HA H 5.537 6.548 -4.120 . . . 1.0 . . . . . . . . . . . . A . 14 VAL HA . . . . . . . . . rr_2dx3 1 . 4 . 1110 . 1 1 14 VAL HB H 2.977 5.315 -5.156 . . . 1.0 . . . . . . . . . . . . A . 14 VAL HB . . . . . . . . . rr_2dx3 1 . 4 . 1111 . 1 1 14 VAL HG11 H 3.617 6.165 -7.120 . . . 1.0 . . . . . . . . . . . . A . 14 VAL HG11 . . . . . . . . . rr_2dx3 1 . 4 . 1112 . 1 1 14 VAL HG12 H 5.148 6.756 -6.432 . . . 1.0 . . . . . . . . . . . . A . 14 VAL HG12 . . . . . . . . . rr_2dx3 1 . 4 . 1113 . 1 1 14 VAL HG13 H 5.035 5.092 -7.055 . . . 1.0 . . . . . . . . . . . . A . 14 VAL HG13 . . . . . . . . . rr_2dx3 1 . 4 . 1114 . 1 1 14 VAL HG21 H 4.541 3.381 -5.737 . . . 1.0 . . . . . . . . . . . . A . 14 VAL HG21 . . . . . . . . . rr_2dx3 1 . 4 . 1115 . 1 1 14 VAL HG22 H 5.699 4.112 -4.600 . . . 1.0 . . . . . . . . . . . . A . 14 VAL HG22 . . . . . . . . . rr_2dx3 1 . 4 . 1116 . 1 1 14 VAL HG23 H 4.105 3.569 -4.021 . . . 1.0 . . . . . . . . . . . . A . 14 VAL HG23 . . . . . . . . . rr_2dx3 1 . 4 . 1117 . 1 1 14 VAL N N 4.143 5.869 -2.759 . . . 1.0 . . . . . . . . . . . . A . 14 VAL N . . . . . . . . . rr_2dx3 1 . 4 . 1118 . 1 1 14 VAL O O 4.181 8.569 -5.075 . . . 1.0 . . . . . . . . . . . . A . 14 VAL O . . . . . . . . . rr_2dx3 1 . 4 . 1119 . 1 1 15 HIS C C 2.204 9.995 -2.178 . . . 1.0 . . . . . . . . . . . . A . 15 HIS C . . . . . . . . . rr_2dx3 1 . 4 . 1120 . 1 1 15 HIS CA C 1.998 9.222 -3.483 . . . 1.0 . . . . . . . . . . . . A . 15 HIS CA . . . . . . . . . rr_2dx3 1 . 4 . 1121 . 1 1 15 HIS CB C 0.523 8.962 -3.791 . . . 1.0 . . . . . . . . . . . . A . 15 HIS CB . . . . . . . . . rr_2dx3 1 . 4 . 1122 . 1 1 15 HIS CD2 C 0.363 6.395 -3.324 . . . 1.0 . . . . . . . . . . . . A . 15 HIS CD2 . . . . . . . . . rr_2dx3 1 . 4 . 1123 . 1 1 15 HIS CE1 C -0.509 5.784 -5.236 . . . 1.0 . . . . . . . . . . . . A . 15 HIS CE1 . . . . . . . . . rr_2dx3 1 . 4 . 1124 . 1 1 15 HIS CG C 0.203 7.515 -4.085 . . . 1.0 . . . . . . . . . . . . A . 15 HIS CG . . . . . . . . . rr_2dx3 1 . 4 . 1125 . 1 1 15 HIS H H 2.418 7.315 -2.758 . . . 1.0 . . . . . . . . . . . . A . 15 HIS H . . . . . . . . . rr_2dx3 1 . 4 . 1126 . 1 1 15 HIS HA H 2.413 9.802 -4.307 . . . 1.0 . . . . . . . . . . . . A . 15 HIS HA . . . . . . . . . rr_2dx3 1 . 4 . 1127 . 1 1 15 HIS HB2 H -0.078 9.291 -2.943 . . . 1.0 . . . . . . . . . . . . A . 15 HIS HB2 . . . . . . . . . rr_2dx3 1 . 4 . 1128 . 1 1 15 HIS HB3 H 0.228 9.570 -4.646 . . . 1.0 . . . . . . . . . . . . A . 15 HIS HB3 . . . . . . . . . rr_2dx3 1 . 4 . 1129 . 1 1 15 HIS HD1 H -0.585 7.689 -6.056 . . . 1.0 . . . . . . . . . . . . A . 15 HIS HD1 . . . . . . . . . rr_2dx3 1 . 4 . 1130 . 1 1 15 HIS HD2 H 0.775 6.363 -2.316 . . . 1.0 . . . . . . . . . . . . A . 15 HIS HD2 . . . . . . . . . rr_2dx3 1 . 4 . 1131 . 1 1 15 HIS HE1 H -0.921 5.160 -6.029 . . . 1.0 . . . . . . . . . . . . A . 15 HIS HE1 . . . . . . . . . rr_2dx3 1 . 4 . 1132 . 1 1 15 HIS HE2 H -0.017 4.395 -3.728 . . . 1.0 . . . . . . . . . . . . A . 15 HIS HE2 . . . . . . . . . rr_2dx3 1 . 4 . 1133 . 1 1 15 HIS N N 2.743 7.976 -3.434 . . . 1.0 . . . . . . . . . . . . A . 15 HIS N . . . . . . . . . rr_2dx3 1 . 4 . 1134 . 1 1 15 HIS ND1 N -0.348 7.099 -5.284 . . . 1.0 . . . . . . . . . . . . A . 15 HIS ND1 . . . . . . . . . rr_2dx3 1 . 4 . 1135 . 1 1 15 HIS NE2 N -0.068 5.350 -4.020 . . . 1.0 . . . . . . . . . . . . A . 15 HIS NE2 . . . . . . . . . rr_2dx3 1 . 4 . 1136 . 1 1 15 HIS O O 1.907 11.186 -2.104 . . . 1.0 . . . . . . . . . . . . A . 15 HIS O . . . . . . . . . rr_2dx3 1 . 4 . 1137 . 1 1 16 TRP C C 4.449 10.238 0.197 . . . 1.0 . . . . . . . . . . . . A . 16 TRP C . . . . . . . . . rr_2dx3 1 . 4 . 1138 . 1 1 16 TRP CA C 2.962 9.888 0.116 . . . 1.0 . . . . . . . . . . . . A . 16 TRP CA . . . . . . . . . rr_2dx3 1 . 4 . 1139 . 1 1 16 TRP CB C 2.502 8.967 1.248 . . . 1.0 . . . . . . . . . . . . A . 16 TRP CB . . . . . . . . . rr_2dx3 1 . 4 . 1140 . 1 1 16 TRP CD1 C 4.090 7.786 2.905 . . . 1.0 . . . . . . . . . . . . A . 16 TRP CD1 . . . . . . . . . rr_2dx3 1 . 4 . 1141 . 1 1 16 TRP CD2 C 3.955 9.974 3.229 . . . 1.0 . . . . . . . . . . . . A . 16 TRP CD2 . . . . . . . . . rr_2dx3 1 . 4 . 1142 . 1 1 16 TRP CE2 C 4.828 9.469 4.172 . . . 1.0 . . . . . . . . . . . . A . 16 TRP CE2 . . . . . . . . . rr_2dx3 1 . 4 . 1143 . 1 1 16 TRP CE3 C 3.654 11.345 3.170 . . . 1.0 . . . . . . . . . . . . A . 16 TRP CE3 . . . . . . . . . rr_2dx3 1 . 4 . 1144 . 1 1 16 TRP CG C 3.485 8.878 2.417 . . . 1.0 . . . . . . . . . . . . A . 16 TRP CG . . . . . . . . . rr_2dx3 1 . 4 . 1145 . 1 1 16 TRP CH2 C 5.185 11.637 5.086 . . . 1.0 . . . . . . . . . . . . A . 16 TRP CH2 . . . . . . . . . rr_2dx3 1 . 4 . 1146 . 1 1 16 TRP CZ2 C 5.470 10.267 5.127 . . . 1.0 . . . . . . . . . . . . A . 16 TRP CZ2 . . . . . . . . . rr_2dx3 1 . 4 . 1147 . 1 1 16 TRP CZ3 C 4.304 12.129 4.131 . . . 1.0 . . . . . . . . . . . . A . 16 TRP CZ3 . . . . . . . . . rr_2dx3 1 . 4 . 1148 . 1 1 16 TRP H H 2.952 8.316 -1.250 . . . 1.0 . . . . . . . . . . . . A . 16 TRP H . . . . . . . . . rr_2dx3 1 . 4 . 1149 . 1 1 16 TRP HA H 2.361 10.796 0.183 . . . 1.0 . . . . . . . . . . . . A . 16 TRP HA . . . . . . . . . rr_2dx3 1 . 4 . 1150 . 1 1 16 TRP HB2 H 1.540 9.318 1.621 . . . 1.0 . . . . . . . . . . . . A . 16 TRP HB2 . . . . . . . . . rr_2dx3 1 . 4 . 1151 . 1 1 16 TRP HB3 H 2.341 7.966 0.845 . . . 1.0 . . . . . . . . . . . . A . 16 TRP HB3 . . . . . . . . . rr_2dx3 1 . 4 . 1152 . 1 1 16 TRP HD1 H 3.949 6.779 2.511 . . . 1.0 . . . . . . . . . . . . A . 16 TRP HD1 . . . . . . . . . rr_2dx3 1 . 4 . 1153 . 1 1 16 TRP HE1 H 5.517 7.395 4.543 . . . 1.0 . . . . . . . . . . . . A . 16 TRP HE1 . . . . . . . . . rr_2dx3 1 . 4 . 1154 . 1 1 16 TRP HE3 H 2.969 11.768 2.435 . . . 1.0 . . . . . . . . . . . . A . 16 TRP HE3 . . . . . . . . . rr_2dx3 1 . 4 . 1155 . 1 1 16 TRP HH2 H 5.652 12.315 5.801 . . . 1.0 . . . . . . . . . . . . A . 16 TRP HH2 . . . . . . . . . rr_2dx3 1 . 4 . 1156 . 1 1 16 TRP HZ2 H 6.156 9.844 5.861 . . . 1.0 . . . . . . . . . . . . A . 16 TRP HZ2 . . . . . . . . . rr_2dx3 1 . 4 . 1157 . 1 1 16 TRP HZ3 H 4.105 13.201 4.129 . . . 1.0 . . . . . . . . . . . . A . 16 TRP HZ3 . . . . . . . . . rr_2dx3 1 . 4 . 1158 . 1 1 16 TRP N N 2.712 9.285 -1.181 . . . 1.0 . . . . . . . . . . . . A . 16 TRP N . . . . . . . . . rr_2dx3 1 . 4 . 1159 . 1 1 16 TRP NE1 N 4.912 8.097 3.969 . . . 1.0 . . . . . . . . . . . . A . 16 TRP NE1 . . . . . . . . . rr_2dx3 1 . 4 . 1160 . 1 1 16 TRP O O 4.832 11.388 -0.013 . . . 1.0 . . . . . . . . . . . . A . 16 TRP O . . . . . . . . . rr_2dx3 1 . 4 . 1161 . 1 1 17 THR C C 7.344 8.144 1.160 . . . 1.0 . . . . . . . . . . . . A . 17 THR C . . . . . . . . . rr_2dx3 1 . 4 . 1162 . 1 1 17 THR CA C 6.683 9.411 0.614 . . . 1.0 . . . . . . . . . . . . A . 17 THR CA . . . . . . . . . rr_2dx3 1 . 4 . 1163 . 1 1 17 THR CB C 6.934 10.648 1.479 . . . 1.0 . . . . . . . . . . . . A . 17 THR CB . . . . . . . . . rr_2dx3 1 . 4 . 1164 . 1 1 17 THR CG2 C 7.869 10.360 2.656 . . . 1.0 . . . . . . . . . . . . A . 17 THR CG2 . . . . . . . . . rr_2dx3 1 . 4 . 1165 . 1 1 17 THR H H 4.927 8.293 0.672 . . . 1.0 . . . . . . . . . . . . A . 17 THR H . . . . . . . . . rr_2dx3 1 . 4 . 1166 . 1 1 17 THR HA H 7.087 9.577 -0.385 . . . 1.0 . . . . . . . . . . . . A . 17 THR HA . . . . . . . . . rr_2dx3 1 . 4 . 1167 . 1 1 17 THR HB H 5.995 11.078 1.824 . . . 1.0 . . . . . . . . . . . . A . 17 THR HB . . . . . . . . . rr_2dx3 1 . 4 . 1168 . 1 1 17 THR HG1 H 8.456 11.010 0.230 . . . 1.0 . . . . . . . . . . . . A . 17 THR HG1 . . . . . . . . . rr_2dx3 1 . 4 . 1169 . 1 1 17 THR HG21 H 8.808 9.951 2.282 . . . 1.0 . . . . . . . . . . . . A . 17 THR HG21 . . . . . . . . . rr_2dx3 1 . 4 . 1170 . 1 1 17 THR HG22 H 8.066 11.284 3.198 . . . 1.0 . . . . . . . . . . . . A . 17 THR HG22 . . . . . . . . . rr_2dx3 1 . 4 . 1171 . 1 1 17 THR HG23 H 7.399 9.639 3.325 . . . 1.0 . . . . . . . . . . . . A . 17 THR HG23 . . . . . . . . . rr_2dx3 1 . 4 . 1172 . 1 1 17 THR N N 5.247 9.225 0.503 . . . 1.0 . . . . . . . . . . . . A . 17 THR N . . . . . . . . . rr_2dx3 1 . 4 . 1173 . 1 1 17 THR O O 6.684 7.313 1.782 . . . 1.0 . . . . . . . . . . . . A . 17 THR O . . . . . . . . . rr_2dx3 1 . 4 . 1174 . 1 1 17 THR OG1 O 7.693 11.512 0.637 . . . 1.0 . . . . . . . . . . . . A . 17 THR OG1 . . . . . . . . . rr_2dx3 1 . 4 . 1175 . 1 1 18 ALA C C 10.889 7.133 1.132 . . . 1.0 . . . . . . . . . . . . A . 18 ALA C . . . . . . . . . rr_2dx3 1 . 4 . 1176 . 1 1 18 ALA CA C 9.398 6.883 1.365 . . . 1.0 . . . . . . . . . . . . A . 18 ALA CA . . . . . . . . . rr_2dx3 1 . 4 . 1177 . 1 1 18 ALA CB C 8.899 5.626 0.649 . . . 1.0 . . . . . . . . . . . . A . 18 ALA CB . . . . . . . . . rr_2dx3 1 . 4 . 1178 . 1 1 18 ALA H H 9.170 8.715 0.400 . . . 1.0 . . . . . . . . . . . . A . 18 ALA H . . . . . . . . . rr_2dx3 1 . 4 . 1179 . 1 1 18 ALA HA H 9.219 6.772 2.434 . . . 1.0 . . . . . . . . . . . . A . 18 ALA HA . . . . . . . . . rr_2dx3 1 . 4 . 1180 . 1 1 18 ALA HB1 H 8.320 5.913 -0.229 . . . 1.0 . . . . . . . . . . . . A . 18 ALA HB1 . . . . . . . . . rr_2dx3 1 . 4 . 1181 . 1 1 18 ALA HB2 H 9.752 5.021 0.340 . . . 1.0 . . . . . . . . . . . . A . 18 ALA HB2 . . . . . . . . . rr_2dx3 1 . 4 . 1182 . 1 1 18 ALA HB3 H 8.270 5.048 1.326 . . . 1.0 . . . . . . . . . . . . A . 18 ALA HB3 . . . . . . . . . rr_2dx3 1 . 4 . 1183 . 1 1 18 ALA N N 8.640 8.035 0.907 . . . 1.0 . . . . . . . . . . . . A . 18 ALA N . . . . . . . . . rr_2dx3 1 . 4 . 1184 . 1 1 18 ALA O O 11.707 6.910 2.023 . . . 1.0 . . . . . . . . . . . . A . 18 ALA O . . . . . . . . . rr_2dx3 1 . 5 . 1185 . 1 1 1 ILE C C -3.727 -9.850 2.712 . . . 1.0 . . . . . . . . . . . . A . 1 ILE C . . . . . . . . . rr_2dx3 1 . 5 . 1186 . 1 1 1 ILE CA C -3.224 -10.953 3.644 . . . 1.0 . . . . . . . . . . . . A . 1 ILE CA . . . . . . . . . rr_2dx3 1 . 5 . 1187 . 1 1 1 ILE CB C -4.078 -11.134 4.901 . . . 1.0 . . . . . . . . . . . . A . 1 ILE CB . . . . . . . . . rr_2dx3 1 . 5 . 1188 . 1 1 1 ILE CD1 C -6.008 -12.197 3.674 . . . 1.0 . . . . . . . . . . . . A . 1 ILE CD1 . . . . . . . . . rr_2dx3 1 . 5 . 1189 . 1 1 1 ILE CG1 C -5.568 -11.037 4.569 . . . 1.0 . . . . . . . . . . . . A . 1 ILE CG1 . . . . . . . . . rr_2dx3 1 . 5 . 1190 . 1 1 1 ILE CG2 C -3.667 -10.142 5.990 . . . 1.0 . . . . . . . . . . . . A . 1 ILE CG2 . . . . . . . . . rr_2dx3 1 . 5 . 1191 . 1 1 1 ILE H1 H -1.434 -11.344 4.636 . . . 1.0 . . . . . . . . . . . . A . 1 ILE H1 . . . . . . . . . rr_2dx3 1 . 5 . 1192 . 1 1 1 ILE HA H -3.243 -11.899 3.102 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HA . . . . . . . . . rr_2dx3 1 . 5 . 1193 . 1 1 1 ILE HB H -3.900 -12.135 5.293 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HB . . . . . . . . . rr_2dx3 1 . 5 . 1194 . 1 1 1 ILE HD11 H -6.703 -11.831 2.919 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HD11 . . . . . . . . . rr_2dx3 1 . 5 . 1195 . 1 1 1 ILE HD12 H -5.135 -12.630 3.185 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HD12 . . . . . . . . . rr_2dx3 1 . 5 . 1196 . 1 1 1 ILE HD13 H -6.499 -12.958 4.281 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HD13 . . . . . . . . . rr_2dx3 1 . 5 . 1197 . 1 1 1 ILE HG12 H -6.151 -11.043 5.490 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HG12 . . . . . . . . . rr_2dx3 1 . 5 . 1198 . 1 1 1 ILE HG13 H -5.772 -10.090 4.069 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HG13 . . . . . . . . . rr_2dx3 1 . 5 . 1199 . 1 1 1 ILE HG21 H -4.559 -9.690 6.426 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HG21 . . . . . . . . . rr_2dx3 1 . 5 . 1200 . 1 1 1 ILE HG22 H -3.109 -10.665 6.766 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HG22 . . . . . . . . . rr_2dx3 1 . 5 . 1201 . 1 1 1 ILE HG23 H -3.041 -9.362 5.555 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HG23 . . . . . . . . . rr_2dx3 1 . 5 . 1202 . 1 1 1 ILE N N -1.841 -10.686 4.003 . . . 1.0 . . . . . . . . . . . . A . 1 ILE N . . . . . . . . . rr_2dx3 1 . 5 . 1203 . 1 1 1 ILE O O -3.604 -8.666 3.022 . . . 1.0 . . . . . . . . . . . . A . 1 ILE O . . . . . . . . . rr_2dx3 1 . 5 . 1204 . 1 1 2 ASN C C -3.641 -8.675 -0.128 . . . 1.0 . . . . . . . . . . . . A . 2 ASN C . . . . . . . . . rr_2dx3 1 . 5 . 1205 . 1 1 2 ASN CA C -4.806 -9.339 0.608 . . . 1.0 . . . . . . . . . . . . A . 2 ASN CA . . . . . . . . . rr_2dx3 1 . 5 . 1206 . 1 1 2 ASN CB C -5.629 -8.239 1.283 . . . 1.0 . . . . . . . . . . . . A . 2 ASN CB . . . . . . . . . rr_2dx3 1 . 5 . 1207 . 1 1 2 ASN CG C -7.044 -8.181 0.706 . . . 1.0 . . . . . . . . . . . . A . 2 ASN CG . . . . . . . . . rr_2dx3 1 . 5 . 1208 . 1 1 2 ASN H H -4.380 -11.241 1.343 . . . 1.0 . . . . . . . . . . . . A . 2 ASN H . . . . . . . . . rr_2dx3 1 . 5 . 1209 . 1 1 2 ASN HA H -5.432 -9.937 -0.055 . . . 1.0 . . . . . . . . . . . . A . 2 ASN HA . . . . . . . . . rr_2dx3 1 . 5 . 1210 . 1 1 2 ASN HB2 H -5.677 -8.422 2.356 . . . 1.0 . . . . . . . . . . . . A . 2 ASN HB2 . . . . . . . . . rr_2dx3 1 . 5 . 1211 . 1 1 2 ASN HB3 H -5.136 -7.276 1.145 . . . 1.0 . . . . . . . . . . . . A . 2 ASN HB3 . . . . . . . . . rr_2dx3 1 . 5 . 1212 . 1 1 2 ASN HD21 H -7.735 -8.946 2.448 . . . 1.0 . . . . . . . . . . . . A . 2 ASN HD21 . . . . . . . . . rr_2dx3 1 . 5 . 1213 . 1 1 2 ASN HD22 H -8.944 -8.620 1.251 . . . 1.0 . . . . . . . . . . . . A . 2 ASN HD22 . . . . . . . . . rr_2dx3 1 . 5 . 1214 . 1 1 2 ASN N N -4.284 -10.277 1.588 . . . 1.0 . . . . . . . . . . . . A . 2 ASN N . . . . . . . . . rr_2dx3 1 . 5 . 1215 . 1 1 2 ASN ND2 N -7.986 -8.618 1.537 . . . 1.0 . . . . . . . . . . . . A . 2 ASN ND2 . . . . . . . . . rr_2dx3 1 . 5 . 1216 . 1 1 2 ASN O O -2.550 -8.541 0.424 . . . 1.0 . . . . . . . . . . . . A . 2 ASN O . . . . . . . . . rr_2dx3 1 . 5 . 1217 . 1 1 2 ASN OD1 O -7.267 -7.767 -0.420 . . . 1.0 . . . . . . . . . . . . A . 2 ASN OD1 . . . . . . . . . rr_2dx3 1 . 5 . 1218 . 1 1 3 TYR C C -3.165 -6.126 -2.291 . . . 1.0 . . . . . . . . . . . . A . 3 TYR C . . . . . . . . . rr_2dx3 1 . 5 . 1219 . 1 1 3 TYR CA C -2.900 -7.629 -2.179 . . . 1.0 . . . . . . . . . . . . A . 3 TYR CA . . . . . . . . . rr_2dx3 1 . 5 . 1220 . 1 1 3 TYR CB C -3.013 -8.259 -3.568 . . . 1.0 . . . . . . . . . . . . A . 3 TYR CB . . . . . . . . . rr_2dx3 1 . 5 . 1221 . 1 1 3 TYR CD1 C -1.665 -6.881 -5.193 . . . 1.0 . . . . . . . . . . . . A . 3 TYR CD1 . . . . . . . . . rr_2dx3 1 . 5 . 1222 . 1 1 3 TYR CD2 C -0.795 -9.001 -4.511 . . . 1.0 . . . . . . . . . . . . A . 3 TYR CD2 . . . . . . . . . rr_2dx3 1 . 5 . 1223 . 1 1 3 TYR CE1 C -0.509 -6.674 -6.025 . . . 1.0 . . . . . . . . . . . . A . 3 TYR CE1 . . . . . . . . . rr_2dx3 1 . 5 . 1224 . 1 1 3 TYR CE2 C 0.361 -8.794 -5.344 . . . 1.0 . . . . . . . . . . . . A . 3 TYR CE2 . . . . . . . . . rr_2dx3 1 . 5 . 1225 . 1 1 3 TYR CG C -1.785 -8.040 -4.453 . . . 1.0 . . . . . . . . . . . . A . 3 TYR CG . . . . . . . . . rr_2dx3 1 . 5 . 1226 . 1 1 3 TYR CZ C 0.447 -7.641 -6.060 . . . 1.0 . . . . . . . . . . . . A . 3 TYR CZ . . . . . . . . . rr_2dx3 1 . 5 . 1227 . 1 1 3 TYR H H -4.803 -8.389 -1.802 . . . 1.0 . . . . . . . . . . . . A . 3 TYR H . . . . . . . . . rr_2dx3 1 . 5 . 1228 . 1 1 3 TYR HA H -1.933 -7.785 -1.702 . . . 1.0 . . . . . . . . . . . . A . 3 TYR HA . . . . . . . . . rr_2dx3 1 . 5 . 1229 . 1 1 3 TYR HB2 H -3.181 -9.331 -3.457 . . . 1.0 . . . . . . . . . . . . A . 3 TYR HB2 . . . . . . . . . rr_2dx3 1 . 5 . 1230 . 1 1 3 TYR HB3 H -3.889 -7.850 -4.072 . . . 1.0 . . . . . . . . . . . . A . 3 TYR HB3 . . . . . . . . . rr_2dx3 1 . 5 . 1231 . 1 1 3 TYR HD1 H -2.447 -6.122 -5.147 . . . 1.0 . . . . . . . . . . . . A . 3 TYR HD1 . . . . . . . . . rr_2dx3 1 . 5 . 1232 . 1 1 3 TYR HD2 H -0.890 -9.916 -3.926 . . . 1.0 . . . . . . . . . . . . A . 3 TYR HD2 . . . . . . . . . rr_2dx3 1 . 5 . 1233 . 1 1 3 TYR HE1 H -0.402 -5.764 -6.615 . . . 1.0 . . . . . . . . . . . . A . 3 TYR HE1 . . . . . . . . . rr_2dx3 1 . 5 . 1234 . 1 1 3 TYR HE2 H 1.149 -9.544 -5.399 . . . 1.0 . . . . . . . . . . . . A . 3 TYR HE2 . . . . . . . . . rr_2dx3 1 . 5 . 1235 . 1 1 3 TYR HH H 2.249 -8.112 -6.618 . . . 1.0 . . . . . . . . . . . . A . 3 TYR HH . . . . . . . . . rr_2dx3 1 . 5 . 1236 . 1 1 3 TYR N N -3.913 -8.276 -1.362 . . . 1.0 . . . . . . . . . . . . A . 3 TYR N . . . . . . . . . rr_2dx3 1 . 5 . 1237 . 1 1 3 TYR O O -2.302 -5.372 -2.738 . . . 1.0 . . . . . . . . . . . . A . 3 TYR O . . . . . . . . . rr_2dx3 1 . 5 . 1238 . 1 1 3 TYR OH O 1.539 -7.446 -6.847 . . . 1.0 . . . . . . . . . . . . A . 3 TYR OH . . . . . . . . . rr_2dx3 1 . 5 . 1239 . 1 1 4 TRP C C -4.512 -3.732 -0.539 . . . 1.0 . . . . . . . . . . . . A . 4 TRP C . . . . . . . . . rr_2dx3 1 . 5 . 1240 . 1 1 4 TRP CA C -4.750 -4.336 -1.925 . . . 1.0 . . . . . . . . . . . . A . 4 TRP CA . . . . . . . . . rr_2dx3 1 . 5 . 1241 . 1 1 4 TRP CB C -6.195 -4.185 -2.403 . . . 1.0 . . . . . . . . . . . . A . 4 TRP CB . . . . . . . . . rr_2dx3 1 . 5 . 1242 . 1 1 4 TRP CD1 C -7.236 -5.327 -4.471 . . . 1.0 . . . . . . . . . . . . A . 4 TRP CD1 . . . . . . . . . rr_2dx3 1 . 5 . 1243 . 1 1 4 TRP CD2 C -5.683 -3.833 -4.985 . . . 1.0 . . . . . . . . . . . . A . 4 TRP CD2 . . . . . . . . . rr_2dx3 1 . 5 . 1244 . 1 1 4 TRP CE2 C -6.154 -4.364 -6.169 . . . 1.0 . . . . . . . . . . . . A . 4 TRP CE2 . . . . . . . . . rr_2dx3 1 . 5 . 1245 . 1 1 4 TRP CE3 C -4.680 -2.848 -4.972 . . . 1.0 . . . . . . . . . . . . A . 4 TRP CE3 . . . . . . . . . rr_2dx3 1 . 5 . 1246 . 1 1 4 TRP CG C -6.389 -4.462 -3.895 . . . 1.0 . . . . . . . . . . . . A . 4 TRP CG . . . . . . . . . rr_2dx3 1 . 5 . 1247 . 1 1 4 TRP CH2 C -4.680 -2.992 -7.438 . . . 1.0 . . . . . . . . . . . . A . 4 TRP CH2 . . . . . . . . . rr_2dx3 1 . 5 . 1248 . 1 1 4 TRP CZ2 C -5.680 -3.972 -7.427 . . . 1.0 . . . . . . . . . . . . A . 4 TRP CZ2 . . . . . . . . . rr_2dx3 1 . 5 . 1249 . 1 1 4 TRP CZ3 C -4.217 -2.467 -6.237 . . . 1.0 . . . . . . . . . . . . A . 4 TRP CZ3 . . . . . . . . . rr_2dx3 1 . 5 . 1250 . 1 1 4 TRP H H -5.057 -6.355 -1.514 . . . 1.0 . . . . . . . . . . . . A . 4 TRP H . . . . . . . . . rr_2dx3 1 . 5 . 1251 . 1 1 4 TRP HA H -4.118 -3.840 -2.661 . . . 1.0 . . . . . . . . . . . . A . 4 TRP HA . . . . . . . . . rr_2dx3 1 . 5 . 1252 . 1 1 4 TRP HB2 H -6.829 -4.864 -1.833 . . . 1.0 . . . . . . . . . . . . A . 4 TRP HB2 . . . . . . . . . rr_2dx3 1 . 5 . 1253 . 1 1 4 TRP HB3 H -6.535 -3.173 -2.185 . . . 1.0 . . . . . . . . . . . . A . 4 TRP HB3 . . . . . . . . . rr_2dx3 1 . 5 . 1254 . 1 1 4 TRP HD1 H -7.924 -5.969 -3.921 . . . 1.0 . . . . . . . . . . . . A . 4 TRP HD1 . . . . . . . . . rr_2dx3 1 . 5 . 1255 . 1 1 4 TRP HE1 H -7.701 -5.905 -6.550 . . . 1.0 . . . . . . . . . . . . A . 4 TRP HE1 . . . . . . . . . rr_2dx3 1 . 5 . 1256 . 1 1 4 TRP HE3 H -4.292 -2.413 -4.051 . . . 1.0 . . . . . . . . . . . . A . 4 TRP HE3 . . . . . . . . . rr_2dx3 1 . 5 . 1257 . 1 1 4 TRP HH2 H -4.267 -2.642 -8.384 . . . 1.0 . . . . . . . . . . . . A . 4 TRP HH2 . . . . . . . . . rr_2dx3 1 . 5 . 1258 . 1 1 4 TRP HZ2 H -6.068 -4.407 -8.348 . . . 1.0 . . . . . . . . . . . . A . 4 TRP HZ2 . . . . . . . . . rr_2dx3 1 . 5 . 1259 . 1 1 4 TRP HZ3 H -3.438 -1.706 -6.284 . . . 1.0 . . . . . . . . . . . . A . 4 TRP HZ3 . . . . . . . . . rr_2dx3 1 . 5 . 1260 . 1 1 4 TRP N N -4.361 -5.735 -1.876 . . . 1.0 . . . . . . . . . . . . A . 4 TRP N . . . . . . . . . rr_2dx3 1 . 5 . 1261 . 1 1 4 TRP NE1 N -7.128 -5.301 -5.846 . . . 1.0 . . . . . . . . . . . . A . 4 TRP NE1 . . . . . . . . . rr_2dx3 1 . 5 . 1262 . 1 1 4 TRP O O -4.120 -2.571 -0.424 . . . 1.0 . . . . . . . . . . . . A . 4 TRP O . . . . . . . . . rr_2dx3 1 . 5 . 1263 . 1 1 5 LEU C C -3.159 -4.448 2.307 . . . 1.0 . . . . . . . . . . . . A . 5 LEU C . . . . . . . . . rr_2dx3 1 . 5 . 1264 . 1 1 5 LEU CA C -4.578 -4.105 1.849 . . . 1.0 . . . . . . . . . . . . A . 5 LEU CA . . . . . . . . . rr_2dx3 1 . 5 . 1265 . 1 1 5 LEU CB C -5.671 -4.686 2.748 . . . 1.0 . . . . . . . . . . . . A . 5 LEU CB . . . . . . . . . rr_2dx3 1 . 5 . 1266 . 1 1 5 LEU CD1 C -7.174 -3.183 1.391 . . . 1.0 . . . . . . . . . . . . A . 5 LEU CD1 . . . . . . . . . rr_2dx3 1 . 5 . 1267 . 1 1 5 LEU CD2 C -7.767 -5.629 1.709 . . . 1.0 . . . . . . . . . . . . A . 5 LEU CD2 . . . . . . . . . rr_2dx3 1 . 5 . 1268 . 1 1 5 LEU CG C -7.112 -4.392 2.327 . . . 1.0 . . . . . . . . . . . . A . 5 LEU CG . . . . . . . . . rr_2dx3 1 . 5 . 1269 . 1 1 5 LEU H H -5.079 -5.487 0.374 . . . 1.0 . . . . . . . . . . . . A . 5 LEU H . . . . . . . . . rr_2dx3 1 . 5 . 1270 . 1 1 5 LEU HA H -4.692 -3.021 1.863 . . . 1.0 . . . . . . . . . . . . A . 5 LEU HA . . . . . . . . . rr_2dx3 1 . 5 . 1271 . 1 1 5 LEU HB2 H -5.540 -5.767 2.793 . . . 1.0 . . . . . . . . . . . . A . 5 LEU HB2 . . . . . . . . . rr_2dx3 1 . 5 . 1272 . 1 1 5 LEU HB3 H -5.524 -4.305 3.759 . . . 1.0 . . . . . . . . . . . . A . 5 LEU HB3 . . . . . . . . . rr_2dx3 1 . 5 . 1273 . 1 1 5 LEU HD11 H -8.209 -2.857 1.286 . . . 1.0 . . . . . . . . . . . . A . 5 LEU HD11 . . . . . . . . . rr_2dx3 1 . 5 . 1274 . 1 1 5 LEU HD12 H -6.578 -2.370 1.807 . . . 1.0 . . . . . . . . . . . . A . 5 LEU HD12 . . . . . . . . . rr_2dx3 1 . 5 . 1275 . 1 1 5 LEU HD13 H -6.779 -3.459 0.413 . . . 1.0 . . . . . . . . . . . . A . 5 LEU HD13 . . . . . . . . . rr_2dx3 1 . 5 . 1276 . 1 1 5 LEU HD21 H -7.360 -5.795 0.711 . . . 1.0 . . . . . . . . . . . . A . 5 LEU HD21 . . . . . . . . . rr_2dx3 1 . 5 . 1277 . 1 1 5 LEU HD22 H -7.563 -6.498 2.334 . . . 1.0 . . . . . . . . . . . . A . 5 LEU HD22 . . . . . . . . . rr_2dx3 1 . 5 . 1278 . 1 1 5 LEU HD23 H -8.844 -5.475 1.641 . . . 1.0 . . . . . . . . . . . . A . 5 LEU HD23 . . . . . . . . . rr_2dx3 1 . 5 . 1279 . 1 1 5 LEU HG H -7.684 -4.137 3.219 . . . 1.0 . . . . . . . . . . . . A . 5 LEU HG . . . . . . . . . rr_2dx3 1 . 5 . 1280 . 1 1 5 LEU N N -4.760 -4.545 0.477 . . . 1.0 . . . . . . . . . . . . A . 5 LEU N . . . . . . . . . rr_2dx3 1 . 5 . 1281 . 1 1 5 LEU O O -2.923 -4.674 3.492 . . . 1.0 . . . . . . . . . . . . A . 5 LEU O . . . . . . . . . rr_2dx3 1 . 5 . 1282 . 1 1 6 ALA C C 0.043 -3.961 0.716 . . . 1.0 . . . . . . . . . . . . A . 6 ALA C . . . . . . . . . rr_2dx3 1 . 5 . 1283 . 1 1 6 ALA CA C -0.862 -4.789 1.631 . . . 1.0 . . . . . . . . . . . . A . 6 ALA CA . . . . . . . . . rr_2dx3 1 . 5 . 1284 . 1 1 6 ALA CB C -0.633 -6.293 1.471 . . . 1.0 . . . . . . . . . . . . A . 6 ALA CB . . . . . . . . . rr_2dx3 1 . 5 . 1285 . 1 1 6 ALA H H -2.452 -4.292 0.380 . . . 1.0 . . . . . . . . . . . . A . 6 ALA H . . . . . . . . . rr_2dx3 1 . 5 . 1286 . 1 1 6 ALA HA H -0.668 -4.512 2.667 . . . 1.0 . . . . . . . . . . . . A . 6 ALA HA . . . . . . . . . rr_2dx3 1 . 5 . 1287 . 1 1 6 ALA HB1 H -1.405 -6.838 2.015 . . . 1.0 . . . . . . . . . . . . A . 6 ALA HB1 . . . . . . . . . rr_2dx3 1 . 5 . 1288 . 1 1 6 ALA HB2 H -0.677 -6.558 0.415 . . . 1.0 . . . . . . . . . . . . A . 6 ALA HB2 . . . . . . . . . rr_2dx3 1 . 5 . 1289 . 1 1 6 ALA HB3 H 0.347 -6.556 1.871 . . . 1.0 . . . . . . . . . . . . A . 6 ALA HB3 . . . . . . . . . rr_2dx3 1 . 5 . 1290 . 1 1 6 ALA N N -2.251 -4.477 1.342 . . . 1.0 . . . . . . . . . . . . A . 6 ALA N . . . . . . . . . rr_2dx3 1 . 5 . 1291 . 1 1 6 ALA O O 1.010 -3.356 1.176 . . . 1.0 . . . . . . . . . . . . A . 6 ALA O . . . . . . . . . rr_2dx3 1 . 5 . 1292 . 1 1 7 HIS C C -0.075 -1.790 -1.649 . . . 1.0 . . . . . . . . . . . . A . 7 HIS C . . . . . . . . . rr_2dx3 1 . 5 . 1293 . 1 1 7 HIS CA C 0.466 -3.218 -1.546 . . . 1.0 . . . . . . . . . . . . A . 7 HIS CA . . . . . . . . . rr_2dx3 1 . 5 . 1294 . 1 1 7 HIS CB C 0.476 -3.946 -2.892 . . . 1.0 . . . . . . . . . . . . A . 7 HIS CB . . . . . . . . . rr_2dx3 1 . 5 . 1295 . 1 1 7 HIS CD2 C 1.472 -6.092 -1.783 . . . 1.0 . . . . . . . . . . . . A . 7 HIS CD2 . . . . . . . . . rr_2dx3 1 . 5 . 1296 . 1 1 7 HIS CE1 C 1.956 -7.192 -3.611 . . . 1.0 . . . . . . . . . . . . A . 7 HIS CE1 . . . . . . . . . rr_2dx3 1 . 5 . 1297 . 1 1 7 HIS CG C 1.105 -5.318 -2.843 . . . 1.0 . . . . . . . . . . . . A . 7 HIS CG . . . . . . . . . rr_2dx3 1 . 5 . 1298 . 1 1 7 HIS H H -1.091 -4.456 -0.929 . . . 1.0 . . . . . . . . . . . . A . 7 HIS H . . . . . . . . . rr_2dx3 1 . 5 . 1299 . 1 1 7 HIS HA H 1.492 -3.183 -1.180 . . . 1.0 . . . . . . . . . . . . A . 7 HIS HA . . . . . . . . . rr_2dx3 1 . 5 . 1300 . 1 1 7 HIS HB2 H -0.549 -4.040 -3.250 . . . 1.0 . . . . . . . . . . . . A . 7 HIS HB2 . . . . . . . . . rr_2dx3 1 . 5 . 1301 . 1 1 7 HIS HB3 H 1.013 -3.337 -3.619 . . . 1.0 . . . . . . . . . . . . A . 7 HIS HB3 . . . . . . . . . rr_2dx3 1 . 5 . 1302 . 1 1 7 HIS HD1 H 1.275 -5.737 -4.924 . . . 1.0 . . . . . . . . . . . . A . 7 HIS HD1 . . . . . . . . . rr_2dx3 1 . 5 . 1303 . 1 1 7 HIS HD2 H 1.363 -5.827 -0.731 . . . 1.0 . . . . . . . . . . . . A . 7 HIS HD2 . . . . . . . . . rr_2dx3 1 . 5 . 1304 . 1 1 7 HIS HE1 H 2.310 -7.978 -4.278 . . . 1.0 . . . . . . . . . . . . A . 7 HIS HE1 . . . . . . . . . rr_2dx3 1 . 5 . 1305 . 1 1 7 HIS HE2 H 2.387 -7.952 -1.692 . . . 1.0 . . . . . . . . . . . . A . 7 HIS HE2 . . . . . . . . . rr_2dx3 1 . 5 . 1306 . 1 1 7 HIS N N -0.303 -3.961 -0.563 . . . 1.0 . . . . . . . . . . . . A . 7 HIS N . . . . . . . . . rr_2dx3 1 . 5 . 1307 . 1 1 7 HIS ND1 N 1.423 -6.037 -3.982 . . . 1.0 . . . . . . . . . . . . A . 7 HIS ND1 . . . . . . . . . rr_2dx3 1 . 5 . 1308 . 1 1 7 HIS NE2 N 1.986 -7.225 -2.248 . . . 1.0 . . . . . . . . . . . . A . 7 HIS NE2 . . . . . . . . . rr_2dx3 1 . 5 . 1309 . 1 1 7 HIS O O 0.690 -0.843 -1.825 . . . 1.0 . . . . . . . . . . . . A . 7 HIS O . . . . . . . . . rr_2dx3 1 . 5 . 1310 . 1 1 8 ALA C C -1.848 0.360 -0.289 . . . 1.0 . . . . . . . . . . . . A . 8 ALA C . . . . . . . . . rr_2dx3 1 . 5 . 1311 . 1 1 8 ALA CA C -2.043 -0.385 -1.611 . . . 1.0 . . . . . . . . . . . . A . 8 ALA CA . . . . . . . . . rr_2dx3 1 . 5 . 1312 . 1 1 8 ALA CB C -3.520 -0.577 -1.960 . . . 1.0 . . . . . . . . . . . . A . 8 ALA CB . . . . . . . . . rr_2dx3 1 . 5 . 1313 . 1 1 8 ALA H H -2.006 -2.456 -1.390 . . . 1.0 . . . . . . . . . . . . A . 8 ALA H . . . . . . . . . rr_2dx3 1 . 5 . 1314 . 1 1 8 ALA HA H -1.564 0.181 -2.411 . . . 1.0 . . . . . . . . . . . . A . 8 ALA HA . . . . . . . . . rr_2dx3 1 . 5 . 1315 . 1 1 8 ALA HB1 H -3.676 -1.587 -2.338 . . . 1.0 . . . . . . . . . . . . A . 8 ALA HB1 . . . . . . . . . rr_2dx3 1 . 5 . 1316 . 1 1 8 ALA HB2 H -4.127 -0.425 -1.067 . . . 1.0 . . . . . . . . . . . . A . 8 ALA HB2 . . . . . . . . . rr_2dx3 1 . 5 . 1317 . 1 1 8 ALA HB3 H -3.811 0.146 -2.723 . . . 1.0 . . . . . . . . . . . . A . 8 ALA HB3 . . . . . . . . . rr_2dx3 1 . 5 . 1318 . 1 1 8 ALA N N -1.391 -1.680 -1.534 . . . 1.0 . . . . . . . . . . . . A . 8 ALA N . . . . . . . . . rr_2dx3 1 . 5 . 1319 . 1 1 8 ALA O O -2.146 1.549 -0.192 . . . 1.0 . . . . . . . . . . . . A . 8 ALA O . . . . . . . . . rr_2dx3 1 . 5 . 1320 . 1 1 9 LYS C C 0.374 0.543 2.151 . . . 1.0 . . . . . . . . . . . . A . 9 LYS C . . . . . . . . . rr_2dx3 1 . 5 . 1321 . 1 1 9 LYS CA C -1.111 0.204 2.010 . . . 1.0 . . . . . . . . . . . . A . 9 LYS CA . . . . . . . . . rr_2dx3 1 . 5 . 1322 . 1 1 9 LYS CB C -1.637 -0.725 3.106 . . . 1.0 . . . . . . . . . . . . A . 9 LYS CB . . . . . . . . . rr_2dx3 1 . 5 . 1323 . 1 1 9 LYS CD C -2.331 -0.569 5.526 . . . 1.0 . . . . . . . . . . . . A . 9 LYS CD . . . . . . . . . rr_2dx3 1 . 5 . 1324 . 1 1 9 LYS CE C -2.793 0.409 6.608 . . . 1.0 . . . . . . . . . . . . A . 9 LYS CE . . . . . . . . . rr_2dx3 1 . 5 . 1325 . 1 1 9 LYS CG C -2.463 0.052 4.133 . . . 1.0 . . . . . . . . . . . . A . 9 LYS CG . . . . . . . . . rr_2dx3 1 . 5 . 1326 . 1 1 9 LYS H H -1.110 -1.339 0.610 . . . 1.0 . . . . . . . . . . . . A . 9 LYS H . . . . . . . . . rr_2dx3 1 . 5 . 1327 . 1 1 9 LYS HA H -1.684 1.130 2.069 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HA . . . . . . . . . rr_2dx3 1 . 5 . 1328 . 1 1 9 LYS HB2 H -2.249 -1.509 2.661 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HB2 . . . . . . . . . rr_2dx3 1 . 5 . 1329 . 1 1 9 LYS HB3 H -0.801 -1.217 3.603 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HB3 . . . . . . . . . rr_2dx3 1 . 5 . 1330 . 1 1 9 LYS HD2 H -2.924 -1.482 5.578 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HD2 . . . . . . . . . rr_2dx3 1 . 5 . 1331 . 1 1 9 LYS HD3 H -1.293 -0.852 5.705 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HD3 . . . . . . . . . rr_2dx3 1 . 5 . 1332 . 1 1 9 LYS HE2 H -2.778 1.426 6.218 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HE2 . . . . . . . . . rr_2dx3 1 . 5 . 1333 . 1 1 9 LYS HE3 H -3.823 0.190 6.888 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HE3 . . . . . . . . . rr_2dx3 1 . 5 . 1334 . 1 1 9 LYS HG2 H -2.131 1.090 4.161 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HG2 . . . . . . . . . rr_2dx3 1 . 5 . 1335 . 1 1 9 LYS HG3 H -3.510 0.060 3.833 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HG3 . . . . . . . . . rr_2dx3 1 . 5 . 1336 . 1 1 9 LYS HZ1 H -1.745 1.231 8.158 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HZ1 . . . . . . . . . rr_2dx3 1 . 5 . 1337 . 1 1 9 LYS HZ2 H -2.369 -0.238 8.500 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HZ2 . . . . . . . . . rr_2dx3 1 . 5 . 1338 . 1 1 9 LYS HZ3 H -1.052 -0.114 7.543 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HZ3 . . . . . . . . . rr_2dx3 1 . 5 . 1339 . 1 1 9 LYS N N -1.349 -0.372 0.697 . . . 1.0 . . . . . . . . . . . . A . 9 LYS N . . . . . . . . . rr_2dx3 1 . 5 . 1340 . 1 1 9 LYS NZ N -1.919 0.314 7.799 . . . 1.0 . . . . . . . . . . . . A . 9 LYS NZ . . . . . . . . . rr_2dx3 1 . 5 . 1341 . 1 1 9 LYS O O 0.726 1.660 2.528 . . . 1.0 . . . . . . . . . . . . A . 9 LYS O . . . . . . . . . rr_2dx3 1 . 5 . 1342 . 1 1 10 ALA C C 3.139 0.477 0.685 . . . 1.0 . . . . . . . . . . . . A . 10 ALA C . . . . . . . . . rr_2dx3 1 . 5 . 1343 . 1 1 10 ALA CA C 2.644 -0.262 1.931 . . . 1.0 . . . . . . . . . . . . A . 10 ALA CA . . . . . . . . . rr_2dx3 1 . 5 . 1344 . 1 1 10 ALA CB C 3.319 -1.624 2.107 . . . 1.0 . . . . . . . . . . . . A . 10 ALA CB . . . . . . . . . rr_2dx3 1 . 5 . 1345 . 1 1 10 ALA H H 0.910 -1.347 1.537 . . . 1.0 . . . . . . . . . . . . A . 10 ALA H . . . . . . . . . rr_2dx3 1 . 5 . 1346 . 1 1 10 ALA HA H 2.849 0.348 2.810 . . . 1.0 . . . . . . . . . . . . A . 10 ALA HA . . . . . . . . . rr_2dx3 1 . 5 . 1347 . 1 1 10 ALA HB1 H 4.266 -1.494 2.631 . . . 1.0 . . . . . . . . . . . . A . 10 ALA HB1 . . . . . . . . . rr_2dx3 1 . 5 . 1348 . 1 1 10 ALA HB2 H 2.669 -2.279 2.687 . . . 1.0 . . . . . . . . . . . . A . 10 ALA HB2 . . . . . . . . . rr_2dx3 1 . 5 . 1349 . 1 1 10 ALA HB3 H 3.502 -2.068 1.129 . . . 1.0 . . . . . . . . . . . . A . 10 ALA HB3 . . . . . . . . . rr_2dx3 1 . 5 . 1350 . 1 1 10 ALA N N 1.205 -0.442 1.842 . . . 1.0 . . . . . . . . . . . . A . 10 ALA N . . . . . . . . . rr_2dx3 1 . 5 . 1351 . 1 1 10 ALA O O 4.071 1.275 0.762 . . . 1.0 . . . . . . . . . . . . A . 10 ALA O . . . . . . . . . rr_2dx3 1 . 5 . 1352 . 1 1 11 GLY C C 2.189 2.182 -1.835 . . . 1.0 . . . . . . . . . . . . A . 11 GLY C . . . . . . . . . rr_2dx3 1 . 5 . 1353 . 1 1 11 GLY CA C 2.854 0.811 -1.693 . . . 1.0 . . . . . . . . . . . . A . 11 GLY CA . . . . . . . . . rr_2dx3 1 . 5 . 1354 . 1 1 11 GLY H H 1.734 -0.466 -0.487 . . . 1.0 . . . . . . . . . . . . A . 11 GLY H . . . . . . . . . rr_2dx3 1 . 5 . 1355 . 1 1 11 GLY HA2 H 3.937 0.920 -1.751 . . . 1.0 . . . . . . . . . . . . A . 11 GLY HA2 . . . . . . . . . rr_2dx3 1 . 5 . 1356 . 1 1 11 GLY HA3 H 2.553 0.170 -2.522 . . . 1.0 . . . . . . . . . . . . A . 11 GLY HA3 . . . . . . . . . rr_2dx3 1 . 5 . 1357 . 1 1 11 GLY N N 2.491 0.185 -0.433 . . . 1.0 . . . . . . . . . . . . A . 11 GLY N . . . . . . . . . rr_2dx3 1 . 5 . 1358 . 1 1 11 GLY O O 2.206 2.776 -2.912 . . . 1.0 . . . . . . . . . . . . A . 11 GLY O . . . . . . . . . rr_2dx3 1 . 5 . 1359 . 1 1 12 TYR C C 1.937 5.060 -0.393 . . . 1.0 . . . . . . . . . . . . A . 12 TYR C . . . . . . . . . rr_2dx3 1 . 5 . 1360 . 1 1 12 TYR CA C 0.952 3.935 -0.719 . . . 1.0 . . . . . . . . . . . . A . 12 TYR CA . . . . . . . . . rr_2dx3 1 . 5 . 1361 . 1 1 12 TYR CB C -0.098 3.856 0.391 . . . 1.0 . . . . . . . . . . . . A . 12 TYR CB . . . . . . . . . rr_2dx3 1 . 5 . 1362 . 1 1 12 TYR CD1 C 1.733 3.967 2.121 . . . 1.0 . . . . . . . . . . . . A . 12 TYR CD1 . . . . . . . . . rr_2dx3 1 . 5 . 1363 . 1 1 12 TYR CD2 C -0.405 4.881 2.674 . . . 1.0 . . . . . . . . . . . . A . 12 TYR CD2 . . . . . . . . . rr_2dx3 1 . 5 . 1364 . 1 1 12 TYR CE1 C 2.227 4.336 3.422 . . . 1.0 . . . . . . . . . . . . A . 12 TYR CE1 . . . . . . . . . rr_2dx3 1 . 5 . 1365 . 1 1 12 TYR CE2 C 0.089 5.250 3.975 . . . 1.0 . . . . . . . . . . . . A . 12 TYR CE2 . . . . . . . . . rr_2dx3 1 . 5 . 1366 . 1 1 12 TYR CG C 0.427 4.247 1.774 . . . 1.0 . . . . . . . . . . . . A . 12 TYR CG . . . . . . . . . rr_2dx3 1 . 5 . 1367 . 1 1 12 TYR CZ C 1.381 4.959 4.285 . . . 1.0 . . . . . . . . . . . . A . 12 TYR CZ . . . . . . . . . rr_2dx3 1 . 5 . 1368 . 1 1 12 TYR H H 1.612 2.156 0.141 . . . 1.0 . . . . . . . . . . . . A . 12 TYR H . . . . . . . . . rr_2dx3 1 . 5 . 1369 . 1 1 12 TYR HA H 0.532 4.106 -1.710 . . . 1.0 . . . . . . . . . . . . A . 12 TYR HA . . . . . . . . . rr_2dx3 1 . 5 . 1370 . 1 1 12 TYR HB2 H -0.934 4.506 0.134 . . . 1.0 . . . . . . . . . . . . A . 12 TYR HB2 . . . . . . . . . rr_2dx3 1 . 5 . 1371 . 1 1 12 TYR HB3 H -0.487 2.838 0.437 . . . 1.0 . . . . . . . . . . . . A . 12 TYR HB3 . . . . . . . . . rr_2dx3 1 . 5 . 1372 . 1 1 12 TYR HD1 H 2.391 3.466 1.410 . . . 1.0 . . . . . . . . . . . . A . 12 TYR HD1 . . . . . . . . . rr_2dx3 1 . 5 . 1373 . 1 1 12 TYR HD2 H -1.437 5.103 2.400 . . . 1.0 . . . . . . . . . . . . A . 12 TYR HD2 . . . . . . . . . rr_2dx3 1 . 5 . 1374 . 1 1 12 TYR HE1 H 3.257 4.121 3.709 . . . 1.0 . . . . . . . . . . . . A . 12 TYR HE1 . . . . . . . . . rr_2dx3 1 . 5 . 1375 . 1 1 12 TYR HE2 H -0.558 5.751 4.696 . . . 1.0 . . . . . . . . . . . . A . 12 TYR HE2 . . . . . . . . . rr_2dx3 1 . 5 . 1376 . 1 1 12 TYR HH H 1.261 4.920 6.225 . . . 1.0 . . . . . . . . . . . . A . 12 TYR HH . . . . . . . . . rr_2dx3 1 . 5 . 1377 . 1 1 12 TYR N N 1.621 2.645 -0.731 . . . 1.0 . . . . . . . . . . . . A . 12 TYR N . . . . . . . . . rr_2dx3 1 . 5 . 1378 . 1 1 12 TYR O O 1.533 6.136 0.046 . . . 1.0 . . . . . . . . . . . . A . 12 TYR O . . . . . . . . . rr_2dx3 1 . 5 . 1379 . 1 1 12 TYR OH O 1.847 5.308 5.514 . . . 1.0 . . . . . . . . . . . . A . 12 TYR OH . . . . . . . . . rr_2dx3 1 . 5 . 1380 . 1 1 13 ILE C C 4.661 6.422 -1.668 . . . 1.0 . . . . . . . . . . . . A . 13 ILE C . . . . . . . . . rr_2dx3 1 . 5 . 1381 . 1 1 13 ILE CA C 4.256 5.747 -0.356 . . . 1.0 . . . . . . . . . . . . A . 13 ILE CA . . . . . . . . . rr_2dx3 1 . 5 . 1382 . 1 1 13 ILE CB C 5.423 5.092 0.385 . . . 1.0 . . . . . . . . . . . . A . 13 ILE CB . . . . . . . . . rr_2dx3 1 . 5 . 1383 . 1 1 13 ILE CD1 C 6.100 4.027 -1.798 . . . 1.0 . . . . . . . . . . . . A . 13 ILE CD1 . . . . . . . . . rr_2dx3 1 . 5 . 1384 . 1 1 13 ILE CG1 C 5.854 3.797 -0.306 . . . 1.0 . . . . . . . . . . . . A . 13 ILE CG1 . . . . . . . . . rr_2dx3 1 . 5 . 1385 . 1 1 13 ILE CG2 C 5.081 4.868 1.860 . . . 1.0 . . . . . . . . . . . . A . 13 ILE CG2 . . . . . . . . . rr_2dx3 1 . 5 . 1386 . 1 1 13 ILE H H 3.530 3.895 -0.976 . . . 1.0 . . . . . . . . . . . . A . 13 ILE H . . . . . . . . . rr_2dx3 1 . 5 . 1387 . 1 1 13 ILE HA H 3.837 6.504 0.308 . . . 1.0 . . . . . . . . . . . . A . 13 ILE HA . . . . . . . . . rr_2dx3 1 . 5 . 1388 . 1 1 13 ILE HB H 6.274 5.773 0.352 . . . 1.0 . . . . . . . . . . . . A . 13 ILE HB . . . . . . . . . rr_2dx3 1 . 5 . 1389 . 1 1 13 ILE HD11 H 6.754 3.245 -2.184 . . . 1.0 . . . . . . . . . . . . A . 13 ILE HD11 . . . . . . . . . rr_2dx3 1 . 5 . 1390 . 1 1 13 ILE HD12 H 5.149 4.002 -2.331 . . . 1.0 . . . . . . . . . . . . A . 13 ILE HD12 . . . . . . . . . rr_2dx3 1 . 5 . 1391 . 1 1 13 ILE HD13 H 6.572 4.999 -1.943 . . . 1.0 . . . . . . . . . . . . A . 13 ILE HD13 . . . . . . . . . rr_2dx3 1 . 5 . 1392 . 1 1 13 ILE HG12 H 6.762 3.416 0.161 . . . 1.0 . . . . . . . . . . . . A . 13 ILE HG12 . . . . . . . . . rr_2dx3 1 . 5 . 1393 . 1 1 13 ILE HG13 H 5.085 3.036 -0.174 . . . 1.0 . . . . . . . . . . . . A . 13 ILE HG13 . . . . . . . . . rr_2dx3 1 . 5 . 1394 . 1 1 13 ILE HG21 H 5.443 3.889 2.172 . . . 1.0 . . . . . . . . . . . . A . 13 ILE HG21 . . . . . . . . . rr_2dx3 1 . 5 . 1395 . 1 1 13 ILE HG22 H 5.556 5.641 2.464 . . . 1.0 . . . . . . . . . . . . A . 13 ILE HG22 . . . . . . . . . rr_2dx3 1 . 5 . 1396 . 1 1 13 ILE HG23 H 4.000 4.916 1.993 . . . 1.0 . . . . . . . . . . . . A . 13 ILE HG23 . . . . . . . . . rr_2dx3 1 . 5 . 1397 . 1 1 13 ILE N N 3.210 4.773 -0.620 . . . 1.0 . . . . . . . . . . . . A . 13 ILE N . . . . . . . . . rr_2dx3 1 . 5 . 1398 . 1 1 13 ILE O O 5.506 7.315 -1.675 . . . 1.0 . . . . . . . . . . . . A . 13 ILE O . . . . . . . . . rr_2dx3 1 . 5 . 1399 . 1 1 14 VAL C C 3.622 7.868 -4.208 . . . 1.0 . . . . . . . . . . . . A . 14 VAL C . . . . . . . . . rr_2dx3 1 . 5 . 1400 . 1 1 14 VAL CA C 4.325 6.517 -4.061 . . . 1.0 . . . . . . . . . . . . A . 14 VAL CA . . . . . . . . . rr_2dx3 1 . 5 . 1401 . 1 1 14 VAL CB C 3.925 5.514 -5.145 . . . 1.0 . . . . . . . . . . . . A . 14 VAL CB . . . . . . . . . rr_2dx3 1 . 5 . 1402 . 1 1 14 VAL CG1 C 4.134 6.104 -6.541 . . . 1.0 . . . . . . . . . . . . A . 14 VAL CG1 . . . . . . . . . rr_2dx3 1 . 5 . 1403 . 1 1 14 VAL CG2 C 4.690 4.199 -4.984 . . . 1.0 . . . . . . . . . . . . A . 14 VAL CG2 . . . . . . . . . rr_2dx3 1 . 5 . 1404 . 1 1 14 VAL H H 3.353 5.241 -2.731 . . . 1.0 . . . . . . . . . . . . A . 14 VAL H . . . . . . . . . rr_2dx3 1 . 5 . 1405 . 1 1 14 VAL HA H 5.401 6.673 -4.125 . . . 1.0 . . . . . . . . . . . . A . 14 VAL HA . . . . . . . . . rr_2dx3 1 . 5 . 1406 . 1 1 14 VAL HB H 2.862 5.299 -5.027 . . . 1.0 . . . . . . . . . . . . A . 14 VAL HB . . . . . . . . . rr_2dx3 1 . 5 . 1407 . 1 1 14 VAL HG11 H 4.818 6.949 -6.480 . . . 1.0 . . . . . . . . . . . . A . 14 VAL HG11 . . . . . . . . . rr_2dx3 1 . 5 . 1408 . 1 1 14 VAL HG12 H 4.555 5.342 -7.198 . . . 1.0 . . . . . . . . . . . . A . 14 VAL HG12 . . . . . . . . . rr_2dx3 1 . 5 . 1409 . 1 1 14 VAL HG13 H 3.177 6.439 -6.941 . . . 1.0 . . . . . . . . . . . . A . 14 VAL HG13 . . . . . . . . . rr_2dx3 1 . 5 . 1410 . 1 1 14 VAL HG21 H 4.683 3.657 -5.930 . . . 1.0 . . . . . . . . . . . . A . 14 VAL HG21 . . . . . . . . . rr_2dx3 1 . 5 . 1411 . 1 1 14 VAL HG22 H 5.720 4.411 -4.695 . . . 1.0 . . . . . . . . . . . . A . 14 VAL HG22 . . . . . . . . . rr_2dx3 1 . 5 . 1412 . 1 1 14 VAL HG23 H 4.214 3.593 -4.214 . . . 1.0 . . . . . . . . . . . . A . 14 VAL HG23 . . . . . . . . . rr_2dx3 1 . 5 . 1413 . 1 1 14 VAL N N 4.039 5.968 -2.746 . . . 1.0 . . . . . . . . . . . . A . 14 VAL N . . . . . . . . . rr_2dx3 1 . 5 . 1414 . 1 1 14 VAL O O 4.010 8.687 -5.040 . . . 1.0 . . . . . . . . . . . . A . 14 VAL O . . . . . . . . . rr_2dx3 1 . 5 . 1415 . 1 1 15 HIS C C 2.060 10.066 -2.111 . . . 1.0 . . . . . . . . . . . . A . 15 HIS C . . . . . . . . . rr_2dx3 1 . 5 . 1416 . 1 1 15 HIS CA C 1.839 9.298 -3.416 . . . 1.0 . . . . . . . . . . . . A . 15 HIS CA . . . . . . . . . rr_2dx3 1 . 5 . 1417 . 1 1 15 HIS CB C 0.361 9.021 -3.699 . . . 1.0 . . . . . . . . . . . . A . 15 HIS CB . . . . . . . . . rr_2dx3 1 . 5 . 1418 . 1 1 15 HIS CD2 C 0.239 6.450 -3.248 . . . 1.0 . . . . . . . . . . . . A . 15 HIS CD2 . . . . . . . . . rr_2dx3 1 . 5 . 1419 . 1 1 15 HIS CE1 C -0.655 5.842 -5.150 . . . 1.0 . . . . . . . . . . . . A . 15 HIS CE1 . . . . . . . . . rr_2dx3 1 . 5 . 1420 . 1 1 15 HIS CG C 0.054 7.574 -3.998 . . . 1.0 . . . . . . . . . . . . A . 15 HIS CG . . . . . . . . . rr_2dx3 1 . 5 . 1421 . 1 1 15 HIS H H 2.290 7.390 -2.713 . . . 1.0 . . . . . . . . . . . . A . 15 HIS H . . . . . . . . . rr_2dx3 1 . 5 . 1422 . 1 1 15 HIS HA H 2.232 9.887 -4.244 . . . 1.0 . . . . . . . . . . . . A . 15 HIS HA . . . . . . . . . rr_2dx3 1 . 5 . 1423 . 1 1 15 HIS HB2 H -0.228 9.337 -2.838 . . . 1.0 . . . . . . . . . . . . A . 15 HIS HB2 . . . . . . . . . rr_2dx3 1 . 5 . 1424 . 1 1 15 HIS HB3 H 0.043 9.632 -4.543 . . . 1.0 . . . . . . . . . . . . A . 15 HIS HB3 . . . . . . . . . rr_2dx3 1 . 5 . 1425 . 1 1 15 HIS HD1 H -0.766 7.752 -5.955 . . . 1.0 . . . . . . . . . . . . A . 15 HIS HD1 . . . . . . . . . rr_2dx3 1 . 5 . 1426 . 1 1 15 HIS HD2 H 0.667 6.415 -2.246 . . . 1.0 . . . . . . . . . . . . A . 15 HIS HD2 . . . . . . . . . rr_2dx3 1 . 5 . 1427 . 1 1 15 HIS HE1 H -1.072 5.219 -5.941 . . . 1.0 . . . . . . . . . . . . A . 15 HIS HE1 . . . . . . . . . rr_2dx3 1 . 5 . 1428 . 1 1 15 HIS HE2 H -0.124 4.449 -3.660 . . . 1.0 . . . . . . . . . . . . A . 15 HIS HE2 . . . . . . . . . rr_2dx3 1 . 5 . 1429 . 1 1 15 HIS N N 2.600 8.060 -3.387 . . . 1.0 . . . . . . . . . . . . A . 15 HIS N . . . . . . . . . rr_2dx3 1 . 5 . 1430 . 1 1 15 HIS ND1 N -0.511 7.159 -5.191 . . . 1.0 . . . . . . . . . . . . A . 15 HIS ND1 . . . . . . . . . rr_2dx3 1 . 5 . 1431 . 1 1 15 HIS NE2 N -0.191 5.405 -3.945 . . . 1.0 . . . . . . . . . . . . A . 15 HIS NE2 . . . . . . . . . rr_2dx3 1 . 5 . 1432 . 1 1 15 HIS O O 1.754 11.254 -2.026 . . . 1.0 . . . . . . . . . . . . A . 15 HIS O . . . . . . . . . rr_2dx3 1 . 5 . 1433 . 1 1 16 TRP C C 4.337 10.323 0.228 . . . 1.0 . . . . . . . . . . . . A . 16 TRP C . . . . . . . . . rr_2dx3 1 . 5 . 1434 . 1 1 16 TRP CA C 2.853 9.955 0.171 . . . 1.0 . . . . . . . . . . . . A . 16 TRP CA . . . . . . . . . rr_2dx3 1 . 5 . 1435 . 1 1 16 TRP CB C 2.426 9.020 1.305 . . . 1.0 . . . . . . . . . . . . A . 16 TRP CB . . . . . . . . . rr_2dx3 1 . 5 . 1436 . 1 1 16 TRP CD1 C 4.057 7.853 2.929 . . . 1.0 . . . . . . . . . . . . A . 16 TRP CD1 . . . . . . . . . rr_2dx3 1 . 5 . 1437 . 1 1 16 TRP CD2 C 3.901 10.037 3.266 . . . 1.0 . . . . . . . . . . . . A . 16 TRP CD2 . . . . . . . . . rr_2dx3 1 . 5 . 1438 . 1 1 16 TRP CE2 C 4.796 9.539 4.191 . . . 1.0 . . . . . . . . . . . . A . 16 TRP CE2 . . . . . . . . . rr_2dx3 1 . 5 . 1439 . 1 1 16 TRP CE3 C 3.581 11.405 3.218 . . . 1.0 . . . . . . . . . . . . A . 16 TRP CE3 . . . . . . . . . rr_2dx3 1 . 5 . 1440 . 1 1 16 TRP CG C 3.430 8.939 2.456 . . . 1.0 . . . . . . . . . . . . A . 16 TRP CG . . . . . . . . . rr_2dx3 1 . 5 . 1441 . 1 1 16 TRP CH2 C 5.142 11.707 5.109 . . . 1.0 . . . . . . . . . . . . A . 16 TRP CH2 . . . . . . . . . rr_2dx3 1 . 5 . 1442 . 1 1 16 TRP CZ2 C 5.445 10.341 5.138 . . . 1.0 . . . . . . . . . . . . A . 16 TRP CZ2 . . . . . . . . . rr_2dx3 1 . 5 . 1443 . 1 1 16 TRP CZ3 C 4.238 12.193 4.171 . . . 1.0 . . . . . . . . . . . . A . 16 TRP CZ3 . . . . . . . . . rr_2dx3 1 . 5 . 1444 . 1 1 16 TRP H H 2.834 8.389 -1.202 . . . 1.0 . . . . . . . . . . . . A . 16 TRP H . . . . . . . . . rr_2dx3 1 . 5 . 1445 . 1 1 16 TRP HA H 2.242 10.854 0.254 . . . 1.0 . . . . . . . . . . . . A . 16 TRP HA . . . . . . . . . rr_2dx3 1 . 5 . 1446 . 1 1 16 TRP HB2 H 1.466 9.357 1.697 . . . 1.0 . . . . . . . . . . . . A . 16 TRP HB2 . . . . . . . . . rr_2dx3 1 . 5 . 1447 . 1 1 16 TRP HB3 H 2.272 8.020 0.899 . . . 1.0 . . . . . . . . . . . . A . 16 TRP HB3 . . . . . . . . . rr_2dx3 1 . 5 . 1448 . 1 1 16 TRP HD1 H 3.923 6.846 2.533 . . . 1.0 . . . . . . . . . . . . A . 16 TRP HD1 . . . . . . . . . rr_2dx3 1 . 5 . 1449 . 1 1 16 TRP HE1 H 5.517 7.473 4.540 . . . 1.0 . . . . . . . . . . . . A . 16 TRP HE1 . . . . . . . . . rr_2dx3 1 . 5 . 1450 . 1 1 16 TRP HE3 H 2.878 11.822 2.498 . . . 1.0 . . . . . . . . . . . . A . 16 TRP HE3 . . . . . . . . . rr_2dx3 1 . 5 . 1451 . 1 1 16 TRP HH2 H 5.612 12.388 5.819 . . . 1.0 . . . . . . . . . . . . A . 16 TRP HH2 . . . . . . . . . rr_2dx3 1 . 5 . 1452 . 1 1 16 TRP HZ2 H 6.149 9.924 5.858 . . . 1.0 . . . . . . . . . . . . A . 16 TRP HZ2 . . . . . . . . . rr_2dx3 1 . 5 . 1453 . 1 1 16 TRP HZ3 H 4.026 13.262 4.178 . . . 1.0 . . . . . . . . . . . . A . 16 TRP HZ3 . . . . . . . . . rr_2dx3 1 . 5 . 1454 . 1 1 16 TRP N N 2.588 9.355 -1.125 . . . 1.0 . . . . . . . . . . . . A . 16 TRP N . . . . . . . . . rr_2dx3 1 . 5 . 1455 . 1 1 16 TRP NE1 N 4.894 8.169 3.979 . . . 1.0 . . . . . . . . . . . . A . 16 TRP NE1 . . . . . . . . . rr_2dx3 1 . 5 . 1456 . 1 1 16 TRP O O 4.702 11.479 0.017 . . . 1.0 . . . . . . . . . . . . A . 16 TRP O . . . . . . . . . rr_2dx3 1 . 5 . 1457 . 1 1 17 THR C C 7.276 8.262 1.127 . . . 1.0 . . . . . . . . . . . . A . 17 THR C . . . . . . . . . rr_2dx3 1 . 5 . 1458 . 1 1 17 THR CA C 6.589 9.524 0.600 . . . 1.0 . . . . . . . . . . . . A . 17 THR CA . . . . . . . . . rr_2dx3 1 . 5 . 1459 . 1 1 17 THR CB C 6.839 10.759 1.467 . . . 1.0 . . . . . . . . . . . . A . 17 THR CB . . . . . . . . . rr_2dx3 1 . 5 . 1460 . 1 1 17 THR CG2 C 7.800 10.478 2.625 . . . 1.0 . . . . . . . . . . . . A . 17 THR CG2 . . . . . . . . . rr_2dx3 1 . 5 . 1461 . 1 1 17 THR H H 4.848 8.382 0.684 . . . 1.0 . . . . . . . . . . . . A . 17 THR H . . . . . . . . . rr_2dx3 1 . 5 . 1462 . 1 1 17 THR HA H 6.972 9.700 -0.405 . . . 1.0 . . . . . . . . . . . . A . 17 THR HA . . . . . . . . . rr_2dx3 1 . 5 . 1463 . 1 1 17 THR HB H 5.900 11.175 1.833 . . . 1.0 . . . . . . . . . . . . A . 17 THR HB . . . . . . . . . rr_2dx3 1 . 5 . 1464 . 1 1 17 THR HG1 H 7.109 12.524 0.563 . . . 1.0 . . . . . . . . . . . . A . 17 THR HG1 . . . . . . . . . rr_2dx3 1 . 5 . 1465 . 1 1 17 THR HG21 H 8.718 10.037 2.236 . . . 1.0 . . . . . . . . . . . . A . 17 THR HG21 . . . . . . . . . rr_2dx3 1 . 5 . 1466 . 1 1 17 THR HG22 H 8.033 11.410 3.138 . . . 1.0 . . . . . . . . . . . . A . 17 THR HG22 . . . . . . . . . rr_2dx3 1 . 5 . 1467 . 1 1 17 THR HG23 H 7.332 9.785 3.324 . . . 1.0 . . . . . . . . . . . . A . 17 THR HG23 . . . . . . . . . rr_2dx3 1 . 5 . 1468 . 1 1 17 THR N N 5.153 9.319 0.514 . . . 1.0 . . . . . . . . . . . . A . 17 THR N . . . . . . . . . rr_2dx3 1 . 5 . 1469 . 1 1 17 THR O O 6.638 7.421 1.758 . . . 1.0 . . . . . . . . . . . . A . 17 THR O . . . . . . . . . rr_2dx3 1 . 5 . 1470 . 1 1 17 THR OG1 O 7.570 11.638 0.616 . . . 1.0 . . . . . . . . . . . . A . 17 THR OG1 . . . . . . . . . rr_2dx3 1 . 5 . 1471 . 1 1 18 ALA C C 10.833 7.299 1.032 . . . 1.0 . . . . . . . . . . . . A . 18 ALA C . . . . . . . . . rr_2dx3 1 . 5 . 1472 . 1 1 18 ALA CA C 9.349 7.027 1.288 . . . 1.0 . . . . . . . . . . . . A . 18 ALA CA . . . . . . . . . rr_2dx3 1 . 5 . 1473 . 1 1 18 ALA CB C 8.855 5.768 0.573 . . . 1.0 . . . . . . . . . . . . A . 18 ALA CB . . . . . . . . . rr_2dx3 1 . 5 . 1474 . 1 1 18 ALA H H 9.080 8.860 0.336 . . . 1.0 . . . . . . . . . . . . A . 18 ALA H . . . . . . . . . rr_2dx3 1 . 5 . 1475 . 1 1 18 ALA HA H 9.190 6.907 2.359 . . . 1.0 . . . . . . . . . . . . A . 18 ALA HA . . . . . . . . . rr_2dx3 1 . 5 . 1476 . 1 1 18 ALA HB1 H 8.244 5.178 1.256 . . . 1.0 . . . . . . . . . . . . A . 18 ALA HB1 . . . . . . . . . rr_2dx3 1 . 5 . 1477 . 1 1 18 ALA HB2 H 8.259 6.052 -0.294 . . . 1.0 . . . . . . . . . . . . A . 18 ALA HB2 . . . . . . . . . rr_2dx3 1 . 5 . 1478 . 1 1 18 ALA HB3 H 9.710 5.176 0.246 . . . 1.0 . . . . . . . . . . . . A . 18 ALA HB3 . . . . . . . . . rr_2dx3 1 . 5 . 1479 . 1 1 18 ALA N N 8.568 8.171 0.850 . . . 1.0 . . . . . . . . . . . . A . 18 ALA N . . . . . . . . . rr_2dx3 1 . 5 . 1480 . 1 1 18 ALA O O 11.600 6.375 0.765 . . . 1.0 . . . . . . . . . . . . A . 18 ALA O . . . . . . . . . rr_2dx3 1 . 6 . 1481 . 1 1 1 ILE C C -3.682 -9.919 2.507 . . . 1.0 . . . . . . . . . . . . A . 1 ILE C . . . . . . . . . rr_2dx3 1 . 6 . 1482 . 1 1 1 ILE CA C -3.161 -11.086 3.348 . . . 1.0 . . . . . . . . . . . . A . 1 ILE CA . . . . . . . . . rr_2dx3 1 . 6 . 1483 . 1 1 1 ILE CB C -3.955 -11.320 4.635 . . . 1.0 . . . . . . . . . . . . A . 1 ILE CB . . . . . . . . . rr_2dx3 1 . 6 . 1484 . 1 1 1 ILE CD1 C -5.979 -12.293 3.488 . . . 1.0 . . . . . . . . . . . . A . 1 ILE CD1 . . . . . . . . . rr_2dx3 1 . 6 . 1485 . 1 1 1 ILE CG1 C -5.458 -11.171 4.387 . . . 1.0 . . . . . . . . . . . . A . 1 ILE CG1 . . . . . . . . . rr_2dx3 1 . 6 . 1486 . 1 1 1 ILE CG2 C -3.465 -10.402 5.756 . . . 1.0 . . . . . . . . . . . . A . 1 ILE CG2 . . . . . . . . . rr_2dx3 1 . 6 . 1487 . 1 1 1 ILE H1 H -1.251 -10.352 2.960 . . . 1.0 . . . . . . . . . . . . A . 1 ILE H1 . . . . . . . . . rr_2dx3 1 . 6 . 1488 . 1 1 1 ILE HA H -3.233 -11.998 2.755 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HA . . . . . . . . . rr_2dx3 1 . 6 . 1489 . 1 1 1 ILE HB H -3.783 -12.346 4.961 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HB . . . . . . . . . rr_2dx3 1 . 6 . 1490 . 1 1 1 ILE HD11 H -5.905 -13.245 4.015 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HD11 . . . . . . . . . rr_2dx3 1 . 6 . 1491 . 1 1 1 ILE HD12 H -7.021 -12.100 3.232 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HD12 . . . . . . . . . rr_2dx3 1 . 6 . 1492 . 1 1 1 ILE HD13 H -5.383 -12.335 2.576 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HD13 . . . . . . . . . rr_2dx3 1 . 6 . 1493 . 1 1 1 ILE HG12 H -5.990 -11.185 5.338 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HG12 . . . . . . . . . rr_2dx3 1 . 6 . 1494 . 1 1 1 ILE HG13 H -5.659 -10.205 3.923 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HG13 . . . . . . . . . rr_2dx3 1 . 6 . 1495 . 1 1 1 ILE HG21 H -4.322 -9.987 6.287 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HG21 . . . . . . . . . rr_2dx3 1 . 6 . 1496 . 1 1 1 ILE HG22 H -2.849 -10.973 6.451 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HG22 . . . . . . . . . rr_2dx3 1 . 6 . 1497 . 1 1 1 ILE HG23 H -2.874 -9.591 5.329 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HG23 . . . . . . . . . rr_2dx3 1 . 6 . 1498 . 1 1 1 ILE N N -1.756 -10.872 3.649 . . . 1.0 . . . . . . . . . . . . A . 1 ILE N . . . . . . . . . rr_2dx3 1 . 6 . 1499 . 1 1 1 ILE O O -3.512 -8.758 2.877 . . . 1.0 . . . . . . . . . . . . A . 1 ILE O . . . . . . . . . rr_2dx3 1 . 6 . 1500 . 1 1 2 ASN C C -3.712 -8.581 -0.257 . . . 1.0 . . . . . . . . . . . . A . 2 ASN C . . . . . . . . . rr_2dx3 1 . 6 . 1501 . 1 1 2 ASN CA C -4.855 -9.263 0.496 . . . 1.0 . . . . . . . . . . . . A . 2 ASN CA . . . . . . . . . rr_2dx3 1 . 6 . 1502 . 1 1 2 ASN CB C -5.617 -8.188 1.273 . . . 1.0 . . . . . . . . . . . . A . 2 ASN CB . . . . . . . . . rr_2dx3 1 . 6 . 1503 . 1 1 2 ASN CG C -7.062 -8.076 0.781 . . . 1.0 . . . . . . . . . . . . A . 2 ASN CG . . . . . . . . . rr_2dx3 1 . 6 . 1504 . 1 1 2 ASN H H -4.443 -11.214 1.099 . . . 1.0 . . . . . . . . . . . . A . 2 ASN H . . . . . . . . . rr_2dx3 1 . 6 . 1505 . 1 1 2 ASN HA H -5.526 -9.807 -0.168 . . . 1.0 . . . . . . . . . . . . A . 2 ASN HA . . . . . . . . . rr_2dx3 1 . 6 . 1506 . 1 1 2 ASN HB2 H -5.609 -8.428 2.337 . . . 1.0 . . . . . . . . . . . . A . 2 ASN HB2 . . . . . . . . . rr_2dx3 1 . 6 . 1507 . 1 1 2 ASN HB3 H -5.115 -7.227 1.160 . . . 1.0 . . . . . . . . . . . . A . 2 ASN HB3 . . . . . . . . . rr_2dx3 1 . 6 . 1508 . 1 1 2 ASN HD21 H -7.667 -8.946 2.506 . . . 1.0 . . . . . . . . . . . . A . 2 ASN HD21 . . . . . . . . . rr_2dx3 1 . 6 . 1509 . 1 1 2 ASN HD22 H -8.935 -8.528 1.402 . . . 1.0 . . . . . . . . . . . . A . 2 ASN HD22 . . . . . . . . . rr_2dx3 1 . 6 . 1510 . 1 1 2 ASN N N -4.308 -10.267 1.392 . . . 1.0 . . . . . . . . . . . . A . 2 ASN N . . . . . . . . . rr_2dx3 1 . 6 . 1511 . 1 1 2 ASN ND2 N -7.962 -8.556 1.634 . . . 1.0 . . . . . . . . . . . . A . 2 ASN ND2 . . . . . . . . . rr_2dx3 1 . 6 . 1512 . 1 1 2 ASN O O -2.589 -8.511 0.242 . . . 1.0 . . . . . . . . . . . . A . 2 ASN O . . . . . . . . . rr_2dx3 1 . 6 . 1513 . 1 1 2 ASN OD1 O -7.340 -7.585 -0.301 . . . 1.0 . . . . . . . . . . . . A . 2 ASN OD1 . . . . . . . . . rr_2dx3 1 . 6 . 1514 . 1 1 3 TYR C C -3.309 -5.913 -2.316 . . . 1.0 . . . . . . . . . . . . A . 3 TYR C . . . . . . . . . rr_2dx3 1 . 6 . 1515 . 1 1 3 TYR CA C -3.050 -7.420 -2.273 . . . 1.0 . . . . . . . . . . . . A . 3 TYR CA . . . . . . . . . rr_2dx3 1 . 6 . 1516 . 1 1 3 TYR CB C -3.217 -7.994 -3.682 . . . 1.0 . . . . . . . . . . . . A . 3 TYR CB . . . . . . . . . rr_2dx3 1 . 6 . 1517 . 1 1 3 TYR CD1 C -1.841 -6.611 -5.279 . . . 1.0 . . . . . . . . . . . . A . 3 TYR CD1 . . . . . . . . . rr_2dx3 1 . 6 . 1518 . 1 1 3 TYR CD2 C -1.055 -8.793 -4.704 . . . 1.0 . . . . . . . . . . . . A . 3 TYR CD2 . . . . . . . . . rr_2dx3 1 . 6 . 1519 . 1 1 3 TYR CE1 C -0.694 -6.421 -6.129 . . . 1.0 . . . . . . . . . . . . A . 3 TYR CE1 . . . . . . . . . rr_2dx3 1 . 6 . 1520 . 1 1 3 TYR CE2 C 0.092 -8.604 -5.553 . . . 1.0 . . . . . . . . . . . . A . 3 TYR CE2 . . . . . . . . . rr_2dx3 1 . 6 . 1521 . 1 1 3 TYR CG C -1.998 -7.793 -4.584 . . . 1.0 . . . . . . . . . . . . A . 3 TYR CG . . . . . . . . . rr_2dx3 1 . 6 . 1522 . 1 1 3 TYR CZ C 0.216 -7.427 -6.224 . . . 1.0 . . . . . . . . . . . . A . 3 TYR CZ . . . . . . . . . rr_2dx3 1 . 6 . 1523 . 1 1 3 TYR H H -4.951 -8.156 -1.845 . . . 1.0 . . . . . . . . . . . . A . 3 TYR H . . . . . . . . . rr_2dx3 1 . 6 . 1524 . 1 1 3 TYR HA H -2.066 -7.600 -1.839 . . . 1.0 . . . . . . . . . . . . A . 3 TYR HA . . . . . . . . . rr_2dx3 1 . 6 . 1525 . 1 1 3 TYR HB2 H -3.427 -9.061 -3.605 . . . 1.0 . . . . . . . . . . . . A . 3 TYR HB2 . . . . . . . . . rr_2dx3 1 . 6 . 1526 . 1 1 3 TYR HB3 H -4.084 -7.531 -4.151 . . . 1.0 . . . . . . . . . . . . A . 3 TYR HB3 . . . . . . . . . rr_2dx3 1 . 6 . 1527 . 1 1 3 TYR HD1 H -2.586 -5.820 -5.185 . . . 1.0 . . . . . . . . . . . . A . 3 TYR HD1 . . . . . . . . . rr_2dx3 1 . 6 . 1528 . 1 1 3 TYR HD2 H -1.179 -9.727 -4.155 . . . 1.0 . . . . . . . . . . . . A . 3 TYR HD2 . . . . . . . . . rr_2dx3 1 . 6 . 1529 . 1 1 3 TYR HE1 H -0.559 -5.492 -6.683 . . . 1.0 . . . . . . . . . . . . A . 3 TYR HE1 . . . . . . . . . rr_2dx3 1 . 6 . 1530 . 1 1 3 TYR HE2 H 0.844 -9.386 -5.656 . . . 1.0 . . . . . . . . . . . . A . 3 TYR HE2 . . . . . . . . . rr_2dx3 1 . 6 . 1531 . 1 1 3 TYR HH H 1.246 -6.359 -7.480 . . . 1.0 . . . . . . . . . . . . A . 3 TYR HH . . . . . . . . . rr_2dx3 1 . 6 . 1532 . 1 1 3 TYR N N -4.036 -8.095 -1.446 . . . 1.0 . . . . . . . . . . . . A . 3 TYR N . . . . . . . . . rr_2dx3 1 . 6 . 1533 . 1 1 3 TYR O O -2.489 -5.153 -2.830 . . . 1.0 . . . . . . . . . . . . A . 3 TYR O . . . . . . . . . rr_2dx3 1 . 6 . 1534 . 1 1 3 TYR OH O 1.299 -7.248 -7.026 . . . 1.0 . . . . . . . . . . . . A . 3 TYR OH . . . . . . . . . rr_2dx3 1 . 6 . 1535 . 1 1 4 TRP C C -4.530 -3.583 -0.338 . . . 1.0 . . . . . . . . . . . . A . 4 TRP C . . . . . . . . . rr_2dx3 1 . 6 . 1536 . 1 1 4 TRP CA C -4.829 -4.122 -1.738 . . . 1.0 . . . . . . . . . . . . A . 4 TRP CA . . . . . . . . . rr_2dx3 1 . 6 . 1537 . 1 1 4 TRP CB C -6.290 -3.938 -2.151 . . . 1.0 . . . . . . . . . . . . A . 4 TRP CB . . . . . . . . . rr_2dx3 1 . 6 . 1538 . 1 1 4 TRP CD1 C -7.441 -5.079 -4.159 . . . 1.0 . . . . . . . . . . . . A . 4 TRP CD1 . . . . . . . . . rr_2dx3 1 . 6 . 1539 . 1 1 4 TRP CD2 C -5.903 -3.601 -4.756 . . . 1.0 . . . . . . . . . . . . A . 4 TRP CD2 . . . . . . . . . rr_2dx3 1 . 6 . 1540 . 1 1 4 TRP CE2 C -6.436 -4.132 -5.913 . . . 1.0 . . . . . . . . . . . . A . 4 TRP CE2 . . . . . . . . . rr_2dx3 1 . 6 . 1541 . 1 1 4 TRP CE3 C -4.892 -2.625 -4.796 . . . 1.0 . . . . . . . . . . . . A . 4 TRP CE3 . . . . . . . . . rr_2dx3 1 . 6 . 1542 . 1 1 4 TRP CG C -6.560 -4.220 -3.630 . . . 1.0 . . . . . . . . . . . . A . 4 TRP CG . . . . . . . . . rr_2dx3 1 . 6 . 1543 . 1 1 4 TRP CH2 C -5.015 -2.778 -7.259 . . . 1.0 . . . . . . . . . . . . A . 4 TRP CH2 . . . . . . . . . rr_2dx3 1 . 6 . 1544 . 1 1 4 TRP CZ2 C -6.021 -3.750 -7.195 . . . 1.0 . . . . . . . . . . . . A . 4 TRP CZ2 . . . . . . . . . rr_2dx3 1 . 6 . 1545 . 1 1 4 TRP CZ3 C -4.488 -2.253 -6.084 . . . 1.0 . . . . . . . . . . . . A . 4 TRP CZ3 . . . . . . . . . rr_2dx3 1 . 6 . 1546 . 1 1 4 TRP H H -5.113 -6.150 -1.353 . . . 1.0 . . . . . . . . . . . . A . 4 TRP H . . . . . . . . . rr_2dx3 1 . 6 . 1547 . 1 1 4 TRP HA H -4.222 -3.598 -2.476 . . . 1.0 . . . . . . . . . . . . A . 4 TRP HA . . . . . . . . . rr_2dx3 1 . 6 . 1548 . 1 1 4 TRP HB2 H -6.914 -4.598 -1.547 . . . 1.0 . . . . . . . . . . . . A . 4 TRP HB2 . . . . . . . . . rr_2dx3 1 . 6 . 1549 . 1 1 4 TRP HB3 H -6.595 -2.917 -1.924 . . . 1.0 . . . . . . . . . . . . A . 4 TRP HB3 . . . . . . . . . rr_2dx3 1 . 6 . 1550 . 1 1 4 TRP HD1 H -8.107 -5.714 -3.574 . . . 1.0 . . . . . . . . . . . . A . 4 TRP HD1 . . . . . . . . . rr_2dx3 1 . 6 . 1551 . 1 1 4 TRP HE1 H -8.013 -5.661 -6.211 . . . 1.0 . . . . . . . . . . . . A . 4 TRP HE1 . . . . . . . . . rr_2dx3 1 . 6 . 1552 . 1 1 4 TRP HE3 H -4.455 -2.190 -3.897 . . . 1.0 . . . . . . . . . . . . A . 4 TRP HE3 . . . . . . . . . rr_2dx3 1 . 6 . 1553 . 1 1 4 TRP HH2 H -4.646 -2.436 -8.225 . . . 1.0 . . . . . . . . . . . . A . 4 TRP HH2 . . . . . . . . . rr_2dx3 1 . 6 . 1554 . 1 1 4 TRP HZ2 H -6.458 -4.185 -8.093 . . . 1.0 . . . . . . . . . . . . A . 4 TRP HZ2 . . . . . . . . . rr_2dx3 1 . 6 . 1555 . 1 1 4 TRP HZ3 H -3.706 -1.499 -6.173 . . . 1.0 . . . . . . . . . . . . A . 4 TRP HZ3 . . . . . . . . . rr_2dx3 1 . 6 . 1556 . 1 1 4 TRP N N -4.452 -5.525 -1.769 . . . 1.0 . . . . . . . . . . . . A . 4 TRP N . . . . . . . . . rr_2dx3 1 . 6 . 1557 . 1 1 4 TRP NE1 N -7.401 -5.060 -5.539 . . . 1.0 . . . . . . . . . . . . A . 4 TRP NE1 . . . . . . . . . rr_2dx3 1 . 6 . 1558 . 1 1 4 TRP O O -4.094 -2.443 -0.187 . . . 1.0 . . . . . . . . . . . . A . 4 TRP O . . . . . . . . . rr_2dx3 1 . 6 . 1559 . 1 1 5 LEU C C -3.120 -4.452 2.433 . . . 1.0 . . . . . . . . . . . . A . 5 LEU C . . . . . . . . . rr_2dx3 1 . 6 . 1560 . 1 1 5 LEU CA C -4.541 -4.051 2.035 . . . 1.0 . . . . . . . . . . . . A . 5 LEU CA . . . . . . . . . rr_2dx3 1 . 6 . 1561 . 1 1 5 LEU CB C -5.623 -4.639 2.944 . . . 1.0 . . . . . . . . . . . . A . 5 LEU CB . . . . . . . . . rr_2dx3 1 . 6 . 1562 . 1 1 5 LEU CD1 C -7.146 -3.106 1.644 . . . 1.0 . . . . . . . . . . . . A . 5 LEU CD1 . . . . . . . . . rr_2dx3 1 . 6 . 1563 . 1 1 5 LEU CD2 C -7.723 -5.564 1.897 . . . 1.0 . . . . . . . . . . . . A . 5 LEU CD2 . . . . . . . . . rr_2dx3 1 . 6 . 1564 . 1 1 5 LEU CG C -7.070 -4.341 2.544 . . . 1.0 . . . . . . . . . . . . A . 5 LEU CG . . . . . . . . . rr_2dx3 1 . 6 . 1565 . 1 1 5 LEU H H -5.133 -5.354 0.522 . . . 1.0 . . . . . . . . . . . . A . 5 LEU H . . . . . . . . . rr_2dx3 1 . 6 . 1566 . 1 1 5 LEU HA H -4.624 -2.966 2.097 . . . 1.0 . . . . . . . . . . . . A . 5 LEU HA . . . . . . . . . rr_2dx3 1 . 6 . 1567 . 1 1 5 LEU HB2 H -5.492 -5.721 2.978 . . . 1.0 . . . . . . . . . . . . A . 5 LEU HB2 . . . . . . . . . rr_2dx3 1 . 6 . 1568 . 1 1 5 LEU HB3 H -5.462 -4.266 3.955 . . . 1.0 . . . . . . . . . . . . A . 5 LEU HB3 . . . . . . . . . rr_2dx3 1 . 6 . 1569 . 1 1 5 LEU HD11 H -6.809 -3.366 0.641 . . . 1.0 . . . . . . . . . . . . A . 5 LEU HD11 . . . . . . . . . rr_2dx3 1 . 6 . 1570 . 1 1 5 LEU HD12 H -8.177 -2.752 1.600 . . . 1.0 . . . . . . . . . . . . A . 5 LEU HD12 . . . . . . . . . rr_2dx3 1 . 6 . 1571 . 1 1 5 LEU HD13 H -6.509 -2.321 2.050 . . . 1.0 . . . . . . . . . . . . A . 5 LEU HD13 . . . . . . . . . rr_2dx3 1 . 6 . 1572 . 1 1 5 LEU HD21 H -8.802 -5.417 1.849 . . . 1.0 . . . . . . . . . . . . A . 5 LEU HD21 . . . . . . . . . rr_2dx3 1 . 6 . 1573 . 1 1 5 LEU HD22 H -7.329 -5.695 0.889 . . . 1.0 . . . . . . . . . . . . A . 5 LEU HD22 . . . . . . . . . rr_2dx3 1 . 6 . 1574 . 1 1 5 LEU HD23 H -7.502 -6.451 2.491 . . . 1.0 . . . . . . . . . . . . A . 5 LEU HD23 . . . . . . . . . rr_2dx3 1 . 6 . 1575 . 1 1 5 LEU HG H -7.634 -4.116 3.449 . . . 1.0 . . . . . . . . . . . . A . 5 LEU HG . . . . . . . . . rr_2dx3 1 . 6 . 1576 . 1 1 5 LEU N N -4.778 -4.428 0.652 . . . 1.0 . . . . . . . . . . . . A . 5 LEU N . . . . . . . . . rr_2dx3 1 . 6 . 1577 . 1 1 5 LEU O O -2.844 -4.695 3.607 . . . 1.0 . . . . . . . . . . . . A . 5 LEU O . . . . . . . . . rr_2dx3 1 . 6 . 1578 . 1 1 6 ALA C C 0.036 -4.045 0.748 . . . 1.0 . . . . . . . . . . . . A . 6 ALA C . . . . . . . . . rr_2dx3 1 . 6 . 1579 . 1 1 6 ALA CA C -0.867 -4.877 1.662 . . . 1.0 . . . . . . . . . . . . A . 6 ALA CA . . . . . . . . . rr_2dx3 1 . 6 . 1580 . 1 1 6 ALA CB C -0.693 -6.381 1.440 . . . 1.0 . . . . . . . . . . . . A . 6 ALA CB . . . . . . . . . rr_2dx3 1 . 6 . 1581 . 1 1 6 ALA H H -2.485 -4.310 0.480 . . . 1.0 . . . . . . . . . . . . A . 6 ALA H . . . . . . . . . rr_2dx3 1 . 6 . 1582 . 1 1 6 ALA HA H -0.630 -4.645 2.701 . . . 1.0 . . . . . . . . . . . . A . 6 ALA HA . . . . . . . . . rr_2dx3 1 . 6 . 1583 . 1 1 6 ALA HB1 H -1.673 -6.851 1.359 . . . 1.0 . . . . . . . . . . . . A . 6 ALA HB1 . . . . . . . . . rr_2dx3 1 . 6 . 1584 . 1 1 6 ALA HB2 H -0.131 -6.550 0.522 . . . 1.0 . . . . . . . . . . . . A . 6 ALA HB2 . . . . . . . . . rr_2dx3 1 . 6 . 1585 . 1 1 6 ALA HB3 H -0.152 -6.812 2.282 . . . 1.0 . . . . . . . . . . . . A . 6 ALA HB3 . . . . . . . . . rr_2dx3 1 . 6 . 1586 . 1 1 6 ALA N N -2.253 -4.509 1.432 . . . 1.0 . . . . . . . . . . . . A . 6 ALA N . . . . . . . . . rr_2dx3 1 . 6 . 1587 . 1 1 6 ALA O O 1.035 -3.486 1.198 . . . 1.0 . . . . . . . . . . . . A . 6 ALA O . . . . . . . . . rr_2dx3 1 . 6 . 1588 . 1 1 7 HIS C C -0.107 -1.796 -1.556 . . . 1.0 . . . . . . . . . . . . A . 7 HIS C . . . . . . . . . rr_2dx3 1 . 6 . 1589 . 1 1 7 HIS CA C 0.412 -3.234 -1.499 . . . 1.0 . . . . . . . . . . . . A . 7 HIS CA . . . . . . . . . rr_2dx3 1 . 6 . 1590 . 1 1 7 HIS CB C 0.382 -3.930 -2.862 . . . 1.0 . . . . . . . . . . . . A . 7 HIS CB . . . . . . . . . rr_2dx3 1 . 6 . 1591 . 1 1 7 HIS CD2 C 1.368 -6.119 -1.827 . . . 1.0 . . . . . . . . . . . . A . 7 HIS CD2 . . . . . . . . . rr_2dx3 1 . 6 . 1592 . 1 1 7 HIS CE1 C 1.816 -7.171 -3.693 . . . 1.0 . . . . . . . . . . . . A . 7 HIS CE1 . . . . . . . . . rr_2dx3 1 . 6 . 1593 . 1 1 7 HIS CG C 0.996 -5.309 -2.860 . . . 1.0 . . . . . . . . . . . . A . 7 HIS CG . . . . . . . . . rr_2dx3 1 . 6 . 1594 . 1 1 7 HIS H H -1.164 -4.446 -0.876 . . . 1.0 . . . . . . . . . . . . A . 7 HIS H . . . . . . . . . rr_2dx3 1 . 6 . 1595 . 1 1 7 HIS HA H 1.446 -3.225 -1.153 . . . 1.0 . . . . . . . . . . . . A . 7 HIS HA . . . . . . . . . rr_2dx3 1 . 6 . 1596 . 1 1 7 HIS HB2 H -0.652 -4.004 -3.198 . . . 1.0 . . . . . . . . . . . . A . 7 HIS HB2 . . . . . . . . . rr_2dx3 1 . 6 . 1597 . 1 1 7 HIS HB3 H 0.910 -3.309 -3.586 . . . 1.0 . . . . . . . . . . . . A . 7 HIS HB3 . . . . . . . . . rr_2dx3 1 . 6 . 1598 . 1 1 7 HIS HD1 H 1.135 -5.671 -4.954 . . . 1.0 . . . . . . . . . . . . A . 7 HIS HD1 . . . . . . . . . rr_2dx3 1 . 6 . 1599 . 1 1 7 HIS HD2 H 1.275 -5.882 -0.767 . . . 1.0 . . . . . . . . . . . . A . 7 HIS HD2 . . . . . . . . . rr_2dx3 1 . 6 . 1600 . 1 1 7 HIS HE1 H 2.151 -7.941 -4.387 . . . 1.0 . . . . . . . . . . . . A . 7 HIS HE1 . . . . . . . . . rr_2dx3 1 . 6 . 1601 . 1 1 7 HIS HE2 H 2.262 -7.991 -1.802 . . . 1.0 . . . . . . . . . . . . A . 7 HIS HE2 . . . . . . . . . rr_2dx3 1 . 6 . 1602 . 1 1 7 HIS N N -0.349 -3.989 -0.518 . . . 1.0 . . . . . . . . . . . . A . 7 HIS N . . . . . . . . . rr_2dx3 1 . 6 . 1603 . 1 1 7 HIS ND1 N 1.291 -6.000 -4.023 . . . 1.0 . . . . . . . . . . . . A . 7 HIS ND1 . . . . . . . . . rr_2dx3 1 . 6 . 1604 . 1 1 7 HIS NE2 N 1.862 -7.243 -2.331 . . . 1.0 . . . . . . . . . . . . A . 7 HIS NE2 . . . . . . . . . rr_2dx3 1 . 6 . 1605 . 1 1 7 HIS O O 0.673 -0.857 -1.705 . . . 1.0 . . . . . . . . . . . . A . 7 HIS O . . . . . . . . . rr_2dx3 1 . 6 . 1606 . 1 1 8 ALA C C -1.852 0.334 -0.123 . . . 1.0 . . . . . . . . . . . . A . 8 ALA C . . . . . . . . . rr_2dx3 1 . 6 . 1607 . 1 1 8 ALA CA C -2.052 -0.362 -1.471 . . . 1.0 . . . . . . . . . . . . A . 8 ALA CA . . . . . . . . . rr_2dx3 1 . 6 . 1608 . 1 1 8 ALA CB C -3.530 -0.519 -1.833 . . . 1.0 . . . . . . . . . . . . A . 8 ALA CB . . . . . . . . . rr_2dx3 1 . 6 . 1609 . 1 1 8 ALA H H -2.047 -2.439 -1.315 . . . 1.0 . . . . . . . . . . . . A . 8 ALA H . . . . . . . . . rr_2dx3 1 . 6 . 1610 . 1 1 8 ALA HA H -1.561 0.223 -2.249 . . . 1.0 . . . . . . . . . . . . A . 8 ALA HA . . . . . . . . . rr_2dx3 1 . 6 . 1611 . 1 1 8 ALA HB1 H -3.719 -1.543 -2.156 . . . 1.0 . . . . . . . . . . . . A . 8 ALA HB1 . . . . . . . . . rr_2dx3 1 . 6 . 1612 . 1 1 8 ALA HB2 H -4.144 -0.295 -0.960 . . . 1.0 . . . . . . . . . . . . A . 8 ALA HB2 . . . . . . . . . rr_2dx3 1 . 6 . 1613 . 1 1 8 ALA HB3 H -3.782 0.169 -2.640 . . . 1.0 . . . . . . . . . . . . A . 8 ALA HB3 . . . . . . . . . rr_2dx3 1 . 6 . 1614 . 1 1 8 ALA N N -1.420 -1.670 -1.435 . . . 1.0 . . . . . . . . . . . . A . 8 ALA N . . . . . . . . . rr_2dx3 1 . 6 . 1615 . 1 1 8 ALA O O -2.146 1.520 0.017 . . . 1.0 . . . . . . . . . . . . A . 8 ALA O . . . . . . . . . rr_2dx3 1 . 6 . 1616 . 1 1 9 LYS C C 0.377 0.410 2.322 . . . 1.0 . . . . . . . . . . . . A . 9 LYS C . . . . . . . . . rr_2dx3 1 . 6 . 1617 . 1 1 9 LYS CA C -1.112 0.093 2.167 . . . 1.0 . . . . . . . . . . . . A . 9 LYS CA . . . . . . . . . rr_2dx3 1 . 6 . 1618 . 1 1 9 LYS CB C -1.650 -0.867 3.229 . . . 1.0 . . . . . . . . . . . . A . 9 LYS CB . . . . . . . . . rr_2dx3 1 . 6 . 1619 . 1 1 9 LYS CD C -2.371 -0.738 5.643 . . . 1.0 . . . . . . . . . . . . A . 9 LYS CD . . . . . . . . . rr_2dx3 1 . 6 . 1620 . 1 1 9 LYS CE C -3.377 -0.126 6.619 . . . 1.0 . . . . . . . . . . . . A . 9 LYS CE . . . . . . . . . rr_2dx3 1 . 6 . 1621 . 1 1 9 LYS CG C -2.519 -0.126 4.248 . . . 1.0 . . . . . . . . . . . . A . 9 LYS CG . . . . . . . . . rr_2dx3 1 . 6 . 1622 . 1 1 9 LYS H H -1.118 -1.398 0.712 . . . 1.0 . . . . . . . . . . . . A . 9 LYS H . . . . . . . . . rr_2dx3 1 . 6 . 1623 . 1 1 9 LYS HA H -1.674 1.022 2.258 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HA . . . . . . . . . rr_2dx3 1 . 6 . 1624 . 1 1 9 LYS HB2 H -2.234 -1.654 2.752 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HB2 . . . . . . . . . rr_2dx3 1 . 6 . 1625 . 1 1 9 LYS HB3 H -0.819 -1.353 3.740 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HB3 . . . . . . . . . rr_2dx3 1 . 6 . 1626 . 1 1 9 LYS HD2 H -2.520 -1.816 5.589 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HD2 . . . . . . . . . rr_2dx3 1 . 6 . 1627 . 1 1 9 LYS HD3 H -1.357 -0.575 6.009 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HD3 . . . . . . . . . rr_2dx3 1 . 6 . 1628 . 1 1 9 LYS HE2 H -3.155 0.932 6.765 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HE2 . . . . . . . . . rr_2dx3 1 . 6 . 1629 . 1 1 9 LYS HE3 H -4.381 -0.186 6.201 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HE3 . . . . . . . . . rr_2dx3 1 . 6 . 1630 . 1 1 9 LYS HG2 H -2.235 0.926 4.276 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HG2 . . . . . . . . . rr_2dx3 1 . 6 . 1631 . 1 1 9 LYS HG3 H -3.563 -0.167 3.938 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HG3 . . . . . . . . . rr_2dx3 1 . 6 . 1632 . 1 1 9 LYS HZ1 H -2.393 -0.833 8.266 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HZ1 . . . . . . . . . rr_2dx3 1 . 6 . 1633 . 1 1 9 LYS HZ2 H -3.927 -0.364 8.573 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HZ2 . . . . . . . . . rr_2dx3 1 . 6 . 1634 . 1 1 9 LYS HZ3 H -3.644 -1.773 7.799 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HZ3 . . . . . . . . . rr_2dx3 1 . 6 . 1635 . 1 1 9 LYS N N -1.354 -0.434 0.835 . . . 1.0 . . . . . . . . . . . . A . 9 LYS N . . . . . . . . . rr_2dx3 1 . 6 . 1636 . 1 1 9 LYS NZ N -3.332 -0.831 7.920 . . . 1.0 . . . . . . . . . . . . A . 9 LYS NZ . . . . . . . . . rr_2dx3 1 . 6 . 1637 . 1 1 9 LYS O O 0.741 1.497 2.770 . . . 1.0 . . . . . . . . . . . . A . 9 LYS O . . . . . . . . . rr_2dx3 1 . 6 . 1638 . 1 1 10 ALA C C 3.138 0.388 0.820 . . . 1.0 . . . . . . . . . . . . A . 10 ALA C . . . . . . . . . rr_2dx3 1 . 6 . 1639 . 1 1 10 ALA CA C 2.639 -0.396 2.035 . . . 1.0 . . . . . . . . . . . . A . 10 ALA CA . . . . . . . . . rr_2dx3 1 . 6 . 1640 . 1 1 10 ALA CB C 3.301 -1.770 2.155 . . . 1.0 . . . . . . . . . . . . A . 10 ALA CB . . . . . . . . . rr_2dx3 1 . 6 . 1641 . 1 1 10 ALA H H 0.894 -1.439 1.581 . . . 1.0 . . . . . . . . . . . . A . 10 ALA H . . . . . . . . . rr_2dx3 1 . 6 . 1642 . 1 1 10 ALA HA H 2.852 0.176 2.939 . . . 1.0 . . . . . . . . . . . . A . 10 ALA HA . . . . . . . . . rr_2dx3 1 . 6 . 1643 . 1 1 10 ALA HB1 H 3.619 -2.108 1.168 . . . 1.0 . . . . . . . . . . . . A . 10 ALA HB1 . . . . . . . . . rr_2dx3 1 . 6 . 1644 . 1 1 10 ALA HB2 H 4.168 -1.700 2.811 . . . 1.0 . . . . . . . . . . . . A . 10 ALA HB2 . . . . . . . . . rr_2dx3 1 . 6 . 1645 . 1 1 10 ALA HB3 H 2.588 -2.482 2.570 . . . 1.0 . . . . . . . . . . . . A . 10 ALA HB3 . . . . . . . . . rr_2dx3 1 . 6 . 1646 . 1 1 10 ALA N N 1.198 -0.558 1.944 . . . 1.0 . . . . . . . . . . . . A . 10 ALA N . . . . . . . . . rr_2dx3 1 . 6 . 1647 . 1 1 10 ALA O O 4.078 1.174 0.927 . . . 1.0 . . . . . . . . . . . . A . 10 ALA O . . . . . . . . . rr_2dx3 1 . 6 . 1648 . 1 1 11 GLY C C 2.195 2.197 -1.631 . . . 1.0 . . . . . . . . . . . . A . 11 GLY C . . . . . . . . . rr_2dx3 1 . 6 . 1649 . 1 1 11 GLY CA C 2.853 0.819 -1.543 . . . 1.0 . . . . . . . . . . . . A . 11 GLY CA . . . . . . . . . rr_2dx3 1 . 6 . 1650 . 1 1 11 GLY H H 1.724 -0.496 -0.387 . . . 1.0 . . . . . . . . . . . . A . 11 GLY H . . . . . . . . . rr_2dx3 1 . 6 . 1651 . 1 1 11 GLY HA2 H 3.936 0.925 -1.596 . . . 1.0 . . . . . . . . . . . . A . 11 GLY HA2 . . . . . . . . . rr_2dx3 1 . 6 . 1652 . 1 1 11 GLY HA3 H 2.550 0.212 -2.396 . . . 1.0 . . . . . . . . . . . . A . 11 GLY HA3 . . . . . . . . . rr_2dx3 1 . 6 . 1653 . 1 1 11 GLY N N 2.487 0.145 -0.308 . . . 1.0 . . . . . . . . . . . . A . 11 GLY N . . . . . . . . . rr_2dx3 1 . 6 . 1654 . 1 1 11 GLY O O 2.208 2.829 -2.687 . . . 1.0 . . . . . . . . . . . . A . 11 GLY O . . . . . . . . . rr_2dx3 1 . 6 . 1655 . 1 1 12 TYR C C 1.962 5.020 -0.066 . . . 1.0 . . . . . . . . . . . . A . 12 TYR C . . . . . . . . . rr_2dx3 1 . 6 . 1656 . 1 1 12 TYR CA C 0.973 3.916 -0.446 . . . 1.0 . . . . . . . . . . . . A . 12 TYR CA . . . . . . . . . rr_2dx3 1 . 6 . 1657 . 1 1 12 TYR CB C -0.085 3.795 0.653 . . . 1.0 . . . . . . . . . . . . A . 12 TYR CB . . . . . . . . . rr_2dx3 1 . 6 . 1658 . 1 1 12 TYR CD1 C 1.721 3.837 2.411 . . . 1.0 . . . . . . . . . . . . A . 12 TYR CD1 . . . . . . . . . rr_2dx3 1 . 6 . 1659 . 1 1 12 TYR CD2 C -0.408 4.780 2.951 . . . 1.0 . . . . . . . . . . . . A . 12 TYR CD2 . . . . . . . . . rr_2dx3 1 . 6 . 1660 . 1 1 12 TYR CE1 C 2.202 4.170 3.727 . . . 1.0 . . . . . . . . . . . . A . 12 TYR CE1 . . . . . . . . . rr_2dx3 1 . 6 . 1661 . 1 1 12 TYR CE2 C 0.073 5.113 4.266 . . . 1.0 . . . . . . . . . . . . A . 12 TYR CE2 . . . . . . . . . rr_2dx3 1 . 6 . 1662 . 1 1 12 TYR CG C 0.426 4.149 2.051 . . . 1.0 . . . . . . . . . . . . A . 12 TYR CG . . . . . . . . . rr_2dx3 1 . 6 . 1663 . 1 1 12 TYR CZ C 1.354 4.792 4.590 . . . 1.0 . . . . . . . . . . . . A . 12 TYR CZ . . . . . . . . . rr_2dx3 1 . 6 . 1664 . 1 1 12 TYR H H 1.629 2.104 0.346 . . . 1.0 . . . . . . . . . . . . A . 12 TYR H . . . . . . . . . rr_2dx3 1 . 6 . 1665 . 1 1 12 TYR HA H 0.561 4.130 -1.432 . . . 1.0 . . . . . . . . . . . . A . 12 TYR HA . . . . . . . . . rr_2dx3 1 . 6 . 1666 . 1 1 12 TYR HB2 H -0.924 4.446 0.408 . . . 1.0 . . . . . . . . . . . . A . 12 TYR HB2 . . . . . . . . . rr_2dx3 1 . 6 . 1667 . 1 1 12 TYR HB3 H -0.467 2.774 0.664 . . . 1.0 . . . . . . . . . . . . A . 12 TYR HB3 . . . . . . . . . rr_2dx3 1 . 6 . 1668 . 1 1 12 TYR HD1 H 2.380 3.338 1.701 . . . 1.0 . . . . . . . . . . . . A . 12 TYR HD1 . . . . . . . . . rr_2dx3 1 . 6 . 1669 . 1 1 12 TYR HD2 H -1.431 5.027 2.666 . . . 1.0 . . . . . . . . . . . . A . 12 TYR HD2 . . . . . . . . . rr_2dx3 1 . 6 . 1670 . 1 1 12 TYR HE1 H 3.222 3.929 4.025 . . . 1.0 . . . . . . . . . . . . A . 12 TYR HE1 . . . . . . . . . rr_2dx3 1 . 6 . 1671 . 1 1 12 TYR HE2 H -0.575 5.612 4.987 . . . 1.0 . . . . . . . . . . . . A . 12 TYR HE2 . . . . . . . . . rr_2dx3 1 . 6 . 1672 . 1 1 12 TYR HH H 2.807 5.072 5.850 . . . 1.0 . . . . . . . . . . . . A . 12 TYR HH . . . . . . . . . rr_2dx3 1 . 6 . 1673 . 1 1 12 TYR N N 1.635 2.623 -0.509 . . . 1.0 . . . . . . . . . . . . A . 12 TYR N . . . . . . . . . rr_2dx3 1 . 6 . 1674 . 1 1 12 TYR O O 1.573 6.034 0.512 . . . 1.0 . . . . . . . . . . . . A . 12 TYR O . . . . . . . . . rr_2dx3 1 . 6 . 1675 . 1 1 12 TYR OH O 1.808 5.107 5.833 . . . 1.0 . . . . . . . . . . . . A . 12 TYR OH . . . . . . . . . rr_2dx3 1 . 6 . 1676 . 1 1 13 ILE C C 4.757 6.383 -1.411 . . . 1.0 . . . . . . . . . . . . A . 13 ILE C . . . . . . . . . rr_2dx3 1 . 6 . 1677 . 1 1 13 ILE CA C 4.268 5.748 -0.108 . . . 1.0 . . . . . . . . . . . . A . 13 ILE CA . . . . . . . . . rr_2dx3 1 . 6 . 1678 . 1 1 13 ILE CB C 5.380 5.093 0.713 . . . 1.0 . . . . . . . . . . . . A . 13 ILE CB . . . . . . . . . rr_2dx3 1 . 6 . 1679 . 1 1 13 ILE CD1 C 6.245 3.874 -1.318 . . . 1.0 . . . . . . . . . . . . A . 13 ILE CD1 . . . . . . . . . rr_2dx3 1 . 6 . 1680 . 1 1 13 ILE CG1 C 5.764 3.732 0.127 . . . 1.0 . . . . . . . . . . . . A . 13 ILE CG1 . . . . . . . . . rr_2dx3 1 . 6 . 1681 . 1 1 13 ILE CG2 C 4.986 4.991 2.188 . . . 1.0 . . . . . . . . . . . . A . 13 ILE CG2 . . . . . . . . . rr_2dx3 1 . 6 . 1682 . 1 1 13 ILE H H 3.528 3.959 -0.876 . . . 1.0 . . . . . . . . . . . . A . 13 ILE H . . . . . . . . . rr_2dx3 1 . 6 . 1683 . 1 1 13 ILE HA H 3.827 6.529 0.512 . . . 1.0 . . . . . . . . . . . . A . 13 ILE HA . . . . . . . . . rr_2dx3 1 . 6 . 1684 . 1 1 13 ILE HB H 6.264 5.728 0.659 . . . 1.0 . . . . . . . . . . . . A . 13 ILE HB . . . . . . . . . rr_2dx3 1 . 6 . 1685 . 1 1 13 ILE HD11 H 6.629 4.882 -1.477 . . . 1.0 . . . . . . . . . . . . A . 13 ILE HD11 . . . . . . . . . rr_2dx3 1 . 6 . 1686 . 1 1 13 ILE HD12 H 7.036 3.149 -1.511 . . . 1.0 . . . . . . . . . . . . A . 13 ILE HD12 . . . . . . . . . rr_2dx3 1 . 6 . 1687 . 1 1 13 ILE HD13 H 5.412 3.691 -1.997 . . . 1.0 . . . . . . . . . . . . A . 13 ILE HD13 . . . . . . . . . rr_2dx3 1 . 6 . 1688 . 1 1 13 ILE HG12 H 6.550 3.281 0.733 . . . 1.0 . . . . . . . . . . . . A . 13 ILE HG12 . . . . . . . . . rr_2dx3 1 . 6 . 1689 . 1 1 13 ILE HG13 H 4.907 3.061 0.165 . . . 1.0 . . . . . . . . . . . . A . 13 ILE HG13 . . . . . . . . . rr_2dx3 1 . 6 . 1690 . 1 1 13 ILE HG21 H 3.944 5.286 2.307 . . . 1.0 . . . . . . . . . . . . A . 13 ILE HG21 . . . . . . . . . rr_2dx3 1 . 6 . 1691 . 1 1 13 ILE HG22 H 5.114 3.964 2.528 . . . 1.0 . . . . . . . . . . . . A . 13 ILE HG22 . . . . . . . . . rr_2dx3 1 . 6 . 1692 . 1 1 13 ILE HG23 H 5.620 5.651 2.780 . . . 1.0 . . . . . . . . . . . . A . 13 ILE HG23 . . . . . . . . . rr_2dx3 1 . 6 . 1693 . 1 1 13 ILE N N 3.221 4.786 -0.406 . . . 1.0 . . . . . . . . . . . . A . 13 ILE N . . . . . . . . . rr_2dx3 1 . 6 . 1694 . 1 1 13 ILE O O 5.391 7.437 -1.393 . . . 1.0 . . . . . . . . . . . . A . 13 ILE O . . . . . . . . . rr_2dx3 1 . 6 . 1695 . 1 1 14 VAL C C 4.018 7.437 -4.177 . . . 1.0 . . . . . . . . . . . . A . 14 VAL C . . . . . . . . . rr_2dx3 1 . 6 . 1696 . 1 1 14 VAL CA C 4.845 6.200 -3.821 . . . 1.0 . . . . . . . . . . . . A . 14 VAL CA . . . . . . . . . rr_2dx3 1 . 6 . 1697 . 1 1 14 VAL CB C 4.720 5.079 -4.855 . . . 1.0 . . . . . . . . . . . . A . 14 VAL CB . . . . . . . . . rr_2dx3 1 . 6 . 1698 . 1 1 14 VAL CG1 C 5.027 5.595 -6.263 . . . 1.0 . . . . . . . . . . . . A . 14 VAL CG1 . . . . . . . . . rr_2dx3 1 . 6 . 1699 . 1 1 14 VAL CG2 C 5.622 3.897 -4.495 . . . 1.0 . . . . . . . . . . . . A . 14 VAL CG2 . . . . . . . . . rr_2dx3 1 . 6 . 1700 . 1 1 14 VAL H H 3.929 4.857 -2.518 . . . 1.0 . . . . . . . . . . . . A . 14 VAL H . . . . . . . . . rr_2dx3 1 . 6 . 1701 . 1 1 14 VAL HA H 5.895 6.486 -3.759 . . . 1.0 . . . . . . . . . . . . A . 14 VAL HA . . . . . . . . . rr_2dx3 1 . 6 . 1702 . 1 1 14 VAL HB H 3.688 4.728 -4.845 . . . 1.0 . . . . . . . . . . . . A . 14 VAL HB . . . . . . . . . rr_2dx3 1 . 6 . 1703 . 1 1 14 VAL HG11 H 4.166 6.144 -6.644 . . . 1.0 . . . . . . . . . . . . A . 14 VAL HG11 . . . . . . . . . rr_2dx3 1 . 6 . 1704 . 1 1 14 VAL HG12 H 5.892 6.256 -6.226 . . . 1.0 . . . . . . . . . . . . A . 14 VAL HG12 . . . . . . . . . rr_2dx3 1 . 6 . 1705 . 1 1 14 VAL HG13 H 5.241 4.752 -6.920 . . . 1.0 . . . . . . . . . . . . A . 14 VAL HG13 . . . . . . . . . rr_2dx3 1 . 6 . 1706 . 1 1 14 VAL HG21 H 6.134 3.545 -5.391 . . . 1.0 . . . . . . . . . . . . A . 14 VAL HG21 . . . . . . . . . rr_2dx3 1 . 6 . 1707 . 1 1 14 VAL HG22 H 6.359 4.214 -3.757 . . . 1.0 . . . . . . . . . . . . A . 14 VAL HG22 . . . . . . . . . rr_2dx3 1 . 6 . 1708 . 1 1 14 VAL HG23 H 5.017 3.090 -4.082 . . . 1.0 . . . . . . . . . . . . A . 14 VAL HG23 . . . . . . . . . rr_2dx3 1 . 6 . 1709 . 1 1 14 VAL N N 4.445 5.714 -2.511 . . . 1.0 . . . . . . . . . . . . A . 14 VAL N . . . . . . . . . rr_2dx3 1 . 6 . 1710 . 1 1 14 VAL O O 4.365 8.176 -5.096 . . . 1.0 . . . . . . . . . . . . A . 14 VAL O . . . . . . . . . rr_2dx3 1 . 6 . 1711 . 1 1 15 HIS C C 2.112 9.694 -2.445 . . . 1.0 . . . . . . . . . . . . A . 15 HIS C . . . . . . . . . rr_2dx3 1 . 6 . 1712 . 1 1 15 HIS CA C 2.061 8.758 -3.654 . . . 1.0 . . . . . . . . . . . . A . 15 HIS CA . . . . . . . . . rr_2dx3 1 . 6 . 1713 . 1 1 15 HIS CB C 0.642 8.289 -3.981 . . . 1.0 . . . . . . . . . . . . A . 15 HIS CB . . . . . . . . . rr_2dx3 1 . 6 . 1714 . 1 1 15 HIS CD2 C 0.761 5.788 -3.230 . . . 1.0 . . . . . . . . . . . . A . 15 HIS CD2 . . . . . . . . . rr_2dx3 1 . 6 . 1715 . 1 1 15 HIS CE1 C 0.054 4.872 -5.087 . . . 1.0 . . . . . . . . . . . . A . 15 HIS CE1 . . . . . . . . . rr_2dx3 1 . 6 . 1716 . 1 1 15 HIS CG C 0.506 6.792 -4.118 . . . 1.0 . . . . . . . . . . . . A . 15 HIS CG . . . . . . . . . rr_2dx3 1 . 6 . 1717 . 1 1 15 HIS H H 2.666 7.017 -2.683 . . . 1.0 . . . . . . . . . . . . A . 15 HIS H . . . . . . . . . rr_2dx3 1 . 6 . 1718 . 1 1 15 HIS HA H 2.447 9.284 -4.527 . . . 1.0 . . . . . . . . . . . . A . 15 HIS HA . . . . . . . . . rr_2dx3 1 . 6 . 1719 . 1 1 15 HIS HB2 H -0.033 8.634 -3.197 . . . 1.0 . . . . . . . . . . . . A . 15 HIS HB2 . . . . . . . . . rr_2dx3 1 . 6 . 1720 . 1 1 15 HIS HB3 H 0.320 8.760 -4.909 . . . 1.0 . . . . . . . . . . . . A . 15 HIS HB3 . . . . . . . . . rr_2dx3 1 . 6 . 1721 . 1 1 15 HIS HD1 H -0.205 6.652 -6.121 . . . 1.0 . . . . . . . . . . . . A . 15 HIS HD1 . . . . . . . . . rr_2dx3 1 . 6 . 1722 . 1 1 15 HIS HD2 H 1.127 5.917 -2.212 . . . 1.0 . . . . . . . . . . . . A . 15 HIS HD2 . . . . . . . . . rr_2dx3 1 . 6 . 1723 . 1 1 15 HIS HE1 H -0.245 4.119 -5.817 . . . 1.0 . . . . . . . . . . . . A . 15 HIS HE1 . . . . . . . . . rr_2dx3 1 . 6 . 1724 . 1 1 15 HIS HE2 H 0.635 3.725 -3.415 . . . 1.0 . . . . . . . . . . . . A . 15 HIS HE2 . . . . . . . . . rr_2dx3 1 . 6 . 1725 . 1 1 15 HIS N N 2.940 7.623 -3.429 . . . 1.0 . . . . . . . . . . . . A . 15 HIS N . . . . . . . . . rr_2dx3 1 . 6 . 1726 . 1 1 15 HIS ND1 N 0.063 6.183 -5.280 . . . 1.0 . . . . . . . . . . . . A . 15 HIS ND1 . . . . . . . . . rr_2dx3 1 . 6 . 1727 . 1 1 15 HIS NE2 N 0.486 4.629 -3.816 . . . 1.0 . . . . . . . . . . . . A . 15 HIS NE2 . . . . . . . . . rr_2dx3 1 . 6 . 1728 . 1 1 15 HIS O O 1.681 10.843 -2.526 . . . 1.0 . . . . . . . . . . . . A . 15 HIS O . . . . . . . . . rr_2dx3 1 . 6 . 1729 . 1 1 16 TRP C C 4.171 10.525 -0.065 . . . 1.0 . . . . . . . . . . . . A . 16 TRP C . . . . . . . . . rr_2dx3 1 . 6 . 1730 . 1 1 16 TRP CA C 2.757 9.942 -0.127 . . . 1.0 . . . . . . . . . . . . A . 16 TRP CA . . . . . . . . . rr_2dx3 1 . 6 . 1731 . 1 1 16 TRP CB C 2.408 9.090 1.095 . . . 1.0 . . . . . . . . . . . . A . 16 TRP CB . . . . . . . . . rr_2dx3 1 . 6 . 1732 . 1 1 16 TRP CD1 C 4.199 8.291 2.773 . . . 1.0 . . . . . . . . . . . . A . 16 TRP CD1 . . . . . . . . . rr_2dx3 1 . 6 . 1733 . 1 1 16 TRP CD2 C 3.655 10.424 3.024 . . . 1.0 . . . . . . . . . . . . A . 16 TRP CD2 . . . . . . . . . rr_2dx3 1 . 6 . 1734 . 1 1 16 TRP CE2 C 4.612 10.128 3.973 . . . 1.0 . . . . . . . . . . . . A . 16 TRP CE2 . . . . . . . . . rr_2dx3 1 . 6 . 1735 . 1 1 16 TRP CE3 C 3.099 11.711 2.921 . . . 1.0 . . . . . . . . . . . . A . 16 TRP CE3 . . . . . . . . . rr_2dx3 1 . 6 . 1736 . 1 1 16 TRP CG C 3.396 9.231 2.255 . . . 1.0 . . . . . . . . . . . . A . 16 TRP CG . . . . . . . . . rr_2dx3 1 . 6 . 1737 . 1 1 16 TRP CH2 C 4.557 12.355 4.808 . . . 1.0 . . . . . . . . . . . . A . 16 TRP CH2 . . . . . . . . . rr_2dx3 1 . 6 . 1738 . 1 1 16 TRP CZ2 C 5.097 11.066 4.892 . . . 1.0 . . . . . . . . . . . . A . 16 TRP CZ2 . . . . . . . . . rr_2dx3 1 . 6 . 1739 . 1 1 16 TRP CZ3 C 3.594 12.638 3.847 . . . 1.0 . . . . . . . . . . . . A . 16 TRP CZ3 . . . . . . . . . rr_2dx3 1 . 6 . 1740 . 1 1 16 TRP H H 2.993 8.233 -1.293 . . . 1.0 . . . . . . . . . . . . A . 16 TRP H . . . . . . . . . rr_2dx3 1 . 6 . 1741 . 1 1 16 TRP HA H 2.024 10.747 -0.173 . . . 1.0 . . . . . . . . . . . . A . 16 TRP HA . . . . . . . . . rr_2dx3 1 . 6 . 1742 . 1 1 16 TRP HB2 H 1.413 9.365 1.444 . . . 1.0 . . . . . . . . . . . . A . 16 TRP HB2 . . . . . . . . . rr_2dx3 1 . 6 . 1743 . 1 1 16 TRP HB3 H 2.363 8.044 0.795 . . . 1.0 . . . . . . . . . . . . A . 16 TRP HB3 . . . . . . . . . rr_2dx3 1 . 6 . 1744 . 1 1 16 TRP HD1 H 4.250 7.263 2.415 . . . 1.0 . . . . . . . . . . . . A . 16 TRP HD1 . . . . . . . . . rr_2dx3 1 . 6 . 1745 . 1 1 16 TRP HE1 H 5.683 8.236 4.406 . . . 1.0 . . . . . . . . . . . . A . 16 TRP HE1 . . . . . . . . . rr_2dx3 1 . 6 . 1746 . 1 1 16 TRP HE3 H 2.342 11.970 2.181 . . . 1.0 . . . . . . . . . . . . A . 16 TRP HE3 . . . . . . . . . rr_2dx3 1 . 6 . 1747 . 1 1 16 TRP HH2 H 4.891 13.134 5.494 . . . 1.0 . . . . . . . . . . . . A . 16 TRP HH2 . . . . . . . . . rr_2dx3 1 . 6 . 1748 . 1 1 16 TRP HZ2 H 5.854 10.807 5.632 . . . 1.0 . . . . . . . . . . . . A . 16 TRP HZ2 . . . . . . . . . rr_2dx3 1 . 6 . 1749 . 1 1 16 TRP HZ3 H 3.196 13.652 3.811 . . . 1.0 . . . . . . . . . . . . A . 16 TRP HZ3 . . . . . . . . . rr_2dx3 1 . 6 . 1750 . 1 1 16 TRP N N 2.644 9.168 -1.351 . . . 1.0 . . . . . . . . . . . . A . 16 TRP N . . . . . . . . . rr_2dx3 1 . 6 . 1751 . 1 1 16 TRP NE1 N 4.954 8.789 3.815 . . . 1.0 . . . . . . . . . . . . A . 16 TRP NE1 . . . . . . . . . rr_2dx3 1 . 6 . 1752 . 1 1 16 TRP O O 4.375 11.701 -0.363 . . . 1.0 . . . . . . . . . . . . A . 16 TRP O . . . . . . . . . rr_2dx3 1 . 6 . 1753 . 1 1 17 THR C C 7.431 8.901 0.197 . . . 1.0 . . . . . . . . . . . . A . 17 THR C . . . . . . . . . rr_2dx3 1 . 6 . 1754 . 1 1 17 THR CA C 6.498 10.092 0.429 . . . 1.0 . . . . . . . . . . . . A . 17 THR CA . . . . . . . . . rr_2dx3 1 . 6 . 1755 . 1 1 17 THR CB C 6.691 10.757 1.793 . . . 1.0 . . . . . . . . . . . . A . 17 THR CB . . . . . . . . . rr_2dx3 1 . 6 . 1756 . 1 1 17 THR CG2 C 7.297 9.807 2.828 . . . 1.0 . . . . . . . . . . . . A . 17 THR CG2 . . . . . . . . . rr_2dx3 1 . 6 . 1757 . 1 1 17 THR H H 4.936 8.721 0.565 . . . 1.0 . . . . . . . . . . . . A . 17 THR H . . . . . . . . . rr_2dx3 1 . 6 . 1758 . 1 1 17 THR HA H 6.701 10.815 -0.361 . . . 1.0 . . . . . . . . . . . . A . 17 THR HA . . . . . . . . . rr_2dx3 1 . 6 . 1759 . 1 1 17 THR HB H 5.754 11.182 2.154 . . . 1.0 . . . . . . . . . . . . A . 17 THR HB . . . . . . . . . rr_2dx3 1 . 6 . 1760 . 1 1 17 THR HG1 H 8.552 11.268 1.264 . . . 1.0 . . . . . . . . . . . . A . 17 THR HG1 . . . . . . . . . rr_2dx3 1 . 6 . 1761 . 1 1 17 THR HG21 H 8.383 9.823 2.744 . . . 1.0 . . . . . . . . . . . . A . 17 THR HG21 . . . . . . . . . rr_2dx3 1 . 6 . 1762 . 1 1 17 THR HG22 H 7.005 10.126 3.828 . . . 1.0 . . . . . . . . . . . . A . 17 THR HG22 . . . . . . . . . rr_2dx3 1 . 6 . 1763 . 1 1 17 THR HG23 H 6.933 8.795 2.649 . . . 1.0 . . . . . . . . . . . . A . 17 THR HG23 . . . . . . . . . rr_2dx3 1 . 6 . 1764 . 1 1 17 THR N N 5.110 9.676 0.324 . . . 1.0 . . . . . . . . . . . . A . 17 THR N . . . . . . . . . rr_2dx3 1 . 6 . 1765 . 1 1 17 THR O O 7.022 7.750 0.341 . . . 1.0 . . . . . . . . . . . . A . 17 THR O . . . . . . . . . rr_2dx3 1 . 6 . 1766 . 1 1 17 THR OG1 O 7.715 11.723 1.567 . . . 1.0 . . . . . . . . . . . . A . 17 THR OG1 . . . . . . . . . rr_2dx3 1 . 6 . 1767 . 1 1 18 ALA C C 10.945 8.843 -0.926 . . . 1.0 . . . . . . . . . . . . A . 18 ALA C . . . . . . . . . rr_2dx3 1 . 6 . 1768 . 1 1 18 ALA CA C 9.661 8.190 -0.413 . . . 1.0 . . . . . . . . . . . . A . 18 ALA CA . . . . . . . . . rr_2dx3 1 . 6 . 1769 . 1 1 18 ALA CB C 9.094 7.165 -1.397 . . . 1.0 . . . . . . . . . . . . A . 18 ALA CB . . . . . . . . . rr_2dx3 1 . 6 . 1770 . 1 1 18 ALA H H 8.991 10.158 -0.275 . . . 1.0 . . . . . . . . . . . . A . 18 ALA H . . . . . . . . . rr_2dx3 1 . 6 . 1771 . 1 1 18 ALA HA H 9.870 7.690 0.533 . . . 1.0 . . . . . . . . . . . . A . 18 ALA HA . . . . . . . . . rr_2dx3 1 . 6 . 1772 . 1 1 18 ALA HB1 H 8.420 7.663 -2.093 . . . 1.0 . . . . . . . . . . . . A . 18 ALA HB1 . . . . . . . . . rr_2dx3 1 . 6 . 1773 . 1 1 18 ALA HB2 H 9.912 6.703 -1.951 . . . 1.0 . . . . . . . . . . . . A . 18 ALA HB2 . . . . . . . . . rr_2dx3 1 . 6 . 1774 . 1 1 18 ALA HB3 H 8.548 6.397 -0.849 . . . 1.0 . . . . . . . . . . . . A . 18 ALA HB3 . . . . . . . . . rr_2dx3 1 . 6 . 1775 . 1 1 18 ALA N N 8.667 9.219 -0.159 . . . 1.0 . . . . . . . . . . . . A . 18 ALA N . . . . . . . . . rr_2dx3 1 . 6 . 1776 . 1 1 18 ALA O O 11.379 9.866 -0.399 . . . 1.0 . . . . . . . . . . . . A . 18 ALA O . . . . . . . . . rr_2dx3 1 . 7 . 1777 . 1 1 1 ILE C C -6.135 -10.230 3.138 . . . 1.0 . . . . . . . . . . . . A . 1 ILE C . . . . . . . . . rr_2dx3 1 . 7 . 1778 . 1 1 1 ILE CA C -5.669 -11.264 4.164 . . . 1.0 . . . . . . . . . . . . A . 1 ILE CA . . . . . . . . . rr_2dx3 1 . 7 . 1779 . 1 1 1 ILE CB C -5.370 -12.638 3.561 . . . 1.0 . . . . . . . . . . . . A . 1 ILE CB . . . . . . . . . rr_2dx3 1 . 7 . 1780 . 1 1 1 ILE CD1 C -3.517 -14.137 2.738 . . . 1.0 . . . . . . . . . . . . A . 1 ILE CD1 . . . . . . . . . rr_2dx3 1 . 7 . 1781 . 1 1 1 ILE CG1 C -3.946 -12.693 3.004 . . . 1.0 . . . . . . . . . . . . A . 1 ILE CG1 . . . . . . . . . rr_2dx3 1 . 7 . 1782 . 1 1 1 ILE CG2 C -6.412 -13.012 2.505 . . . 1.0 . . . . . . . . . . . . A . 1 ILE CG2 . . . . . . . . . rr_2dx3 1 . 7 . 1783 . 1 1 1 ILE H1 H -7.098 -10.517 5.484 . . . 1.0 . . . . . . . . . . . . A . 1 ILE H1 . . . . . . . . . rr_2dx3 1 . 7 . 1784 . 1 1 1 ILE HA H -4.748 -10.906 4.623 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HA . . . . . . . . . rr_2dx3 1 . 7 . 1785 . 1 1 1 ILE HB H -5.434 -13.382 4.355 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HB . . . . . . . . . rr_2dx3 1 . 7 . 1786 . 1 1 1 ILE HD11 H -2.550 -14.322 3.206 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HD11 . . . . . . . . . rr_2dx3 1 . 7 . 1787 . 1 1 1 ILE HD12 H -4.258 -14.819 3.154 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HD12 . . . . . . . . . rr_2dx3 1 . 7 . 1788 . 1 1 1 ILE HD13 H -3.437 -14.300 1.663 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HD13 . . . . . . . . . rr_2dx3 1 . 7 . 1789 . 1 1 1 ILE HG12 H -3.889 -12.117 2.081 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HG12 . . . . . . . . . rr_2dx3 1 . 7 . 1790 . 1 1 1 ILE HG13 H -3.257 -12.230 3.711 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HG13 . . . . . . . . . rr_2dx3 1 . 7 . 1791 . 1 1 1 ILE HG21 H -5.943 -13.032 1.522 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HG21 . . . . . . . . . rr_2dx3 1 . 7 . 1792 . 1 1 1 ILE HG22 H -6.822 -13.996 2.732 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HG22 . . . . . . . . . rr_2dx3 1 . 7 . 1793 . 1 1 1 ILE HG23 H -7.215 -12.275 2.510 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HG23 . . . . . . . . . rr_2dx3 1 . 7 . 1794 . 1 1 1 ILE N N -6.664 -11.378 5.218 . . . 1.0 . . . . . . . . . . . . A . 1 ILE N . . . . . . . . . rr_2dx3 1 . 7 . 1795 . 1 1 1 ILE O O -7.310 -9.865 3.109 . . . 1.0 . . . . . . . . . . . . A . 1 ILE O . . . . . . . . . rr_2dx3 1 . 7 . 1796 . 1 1 2 ASN C C -4.186 -8.344 0.639 . . . 1.0 . . . . . . . . . . . . A . 2 ASN C . . . . . . . . . rr_2dx3 1 . 7 . 1797 . 1 1 2 ASN CA C -5.490 -8.801 1.297 . . . 1.0 . . . . . . . . . . . . A . 2 ASN CA . . . . . . . . . rr_2dx3 1 . 7 . 1798 . 1 1 2 ASN CB C -6.172 -7.571 1.897 . . . 1.0 . . . . . . . . . . . . A . 2 ASN CB . . . . . . . . . rr_2dx3 1 . 7 . 1799 . 1 1 2 ASN CG C -7.609 -7.437 1.388 . . . 1.0 . . . . . . . . . . . . A . 2 ASN CG . . . . . . . . . rr_2dx3 1 . 7 . 1800 . 1 1 2 ASN H H -4.238 -10.088 2.352 . . . 1.0 . . . . . . . . . . . . A . 2 ASN H . . . . . . . . . rr_2dx3 1 . 7 . 1801 . 1 1 2 ASN HA H -6.155 -9.308 0.597 . . . 1.0 . . . . . . . . . . . . A . 2 ASN HA . . . . . . . . . rr_2dx3 1 . 7 . 1802 . 1 1 2 ASN HB2 H -6.174 -7.646 2.985 . . . 1.0 . . . . . . . . . . . . A . 2 ASN HB2 . . . . . . . . . rr_2dx3 1 . 7 . 1803 . 1 1 2 ASN HB3 H -5.607 -6.675 1.641 . . . 1.0 . . . . . . . . . . . . A . 2 ASN HB3 . . . . . . . . . rr_2dx3 1 . 7 . 1804 . 1 1 2 ASN HD21 H -8.261 -7.857 3.258 . . . 1.0 . . . . . . . . . . . . A . 2 ASN HD21 . . . . . . . . . rr_2dx3 1 . 7 . 1805 . 1 1 2 ASN HD22 H -9.505 -7.574 2.086 . . . 1.0 . . . . . . . . . . . . A . 2 ASN HD22 . . . . . . . . . rr_2dx3 1 . 7 . 1806 . 1 1 2 ASN N N -5.191 -9.786 2.322 . . . 1.0 . . . . . . . . . . . . A . 2 ASN N . . . . . . . . . rr_2dx3 1 . 7 . 1807 . 1 1 2 ASN ND2 N -8.535 -7.639 2.321 . . . 1.0 . . . . . . . . . . . . A . 2 ASN ND2 . . . . . . . . . rr_2dx3 1 . 7 . 1808 . 1 1 2 ASN O O -3.128 -8.373 1.265 . . . 1.0 . . . . . . . . . . . . A . 2 ASN O . . . . . . . . . rr_2dx3 1 . 7 . 1809 . 1 1 2 ASN OD1 O -7.860 -7.168 0.225 . . . 1.0 . . . . . . . . . . . . A . 2 ASN OD1 . . . . . . . . . rr_2dx3 1 . 7 . 1810 . 1 1 3 TYR C C -3.265 -5.980 -1.686 . . . 1.0 . . . . . . . . . . . . A . 3 TYR C . . . . . . . . . rr_2dx3 1 . 7 . 1811 . 1 1 3 TYR CA C -3.150 -7.471 -1.365 . . . 1.0 . . . . . . . . . . . . A . 3 TYR CA . . . . . . . . . rr_2dx3 1 . 7 . 1812 . 1 1 3 TYR CB C -3.151 -8.264 -2.673 . . . 1.0 . . . . . . . . . . . . A . 3 TYR CB . . . . . . . . . rr_2dx3 1 . 7 . 1813 . 1 1 3 TYR CD1 C -1.475 -7.158 -4.197 . . . 1.0 . . . . . . . . . . . . A . 3 TYR CD1 . . . . . . . . . rr_2dx3 1 . 7 . 1814 . 1 1 3 TYR CD2 C -0.944 -9.310 -3.301 . . . 1.0 . . . . . . . . . . . . A . 3 TYR CD2 . . . . . . . . . rr_2dx3 1 . 7 . 1815 . 1 1 3 TYR CE1 C -0.215 -7.138 -4.895 . . . 1.0 . . . . . . . . . . . . A . 3 TYR CE1 . . . . . . . . . rr_2dx3 1 . 7 . 1816 . 1 1 3 TYR CE2 C 0.315 -9.290 -3.999 . . . 1.0 . . . . . . . . . . . . A . 3 TYR CE2 . . . . . . . . . rr_2dx3 1 . 7 . 1817 . 1 1 3 TYR CG C -1.813 -8.243 -3.415 . . . 1.0 . . . . . . . . . . . . A . 3 TYR CG . . . . . . . . . rr_2dx3 1 . 7 . 1818 . 1 1 3 TYR CZ C 0.618 -8.205 -4.761 . . . 1.0 . . . . . . . . . . . . A . 3 TYR CZ . . . . . . . . . rr_2dx3 1 . 7 . 1819 . 1 1 3 TYR H H -5.170 -7.913 -1.117 . . . 1.0 . . . . . . . . . . . . A . 3 TYR H . . . . . . . . . rr_2dx3 1 . 7 . 1820 . 1 1 3 TYR HA H -2.264 -7.636 -0.752 . . . 1.0 . . . . . . . . . . . . A . 3 TYR HA . . . . . . . . . rr_2dx3 1 . 7 . 1821 . 1 1 3 TYR HB2 H -3.420 -9.299 -2.459 . . . 1.0 . . . . . . . . . . . . A . 3 TYR HB2 . . . . . . . . . rr_2dx3 1 . 7 . 1822 . 1 1 3 TYR HB3 H -3.924 -7.863 -3.329 . . . 1.0 . . . . . . . . . . . . A . 3 TYR HB3 . . . . . . . . . rr_2dx3 1 . 7 . 1823 . 1 1 3 TYR HD1 H -2.161 -6.316 -4.287 . . . 1.0 . . . . . . . . . . . . A . 3 TYR HD1 . . . . . . . . . rr_2dx3 1 . 7 . 1824 . 1 1 3 TYR HD2 H -1.211 -10.167 -2.683 . . . 1.0 . . . . . . . . . . . . A . 3 TYR HD2 . . . . . . . . . rr_2dx3 1 . 7 . 1825 . 1 1 3 TYR HE1 H 0.065 -6.288 -5.517 . . . 1.0 . . . . . . . . . . . . A . 3 TYR HE1 . . . . . . . . . rr_2dx3 1 . 7 . 1826 . 1 1 3 TYR HE2 H 1.011 -10.125 -3.918 . . . 1.0 . . . . . . . . . . . . A . 3 TYR HE2 . . . . . . . . . rr_2dx3 1 . 7 . 1827 . 1 1 3 TYR HH H 2.551 -8.405 -4.790 . . . 1.0 . . . . . . . . . . . . A . 3 TYR HH . . . . . . . . . rr_2dx3 1 . 7 . 1828 . 1 1 3 TYR N N -4.306 -7.934 -0.615 . . . 1.0 . . . . . . . . . . . . A . 3 TYR N . . . . . . . . . rr_2dx3 1 . 7 . 1829 . 1 1 3 TYR O O -2.286 -5.348 -2.078 . . . 1.0 . . . . . . . . . . . . A . 3 TYR O . . . . . . . . . rr_2dx3 1 . 7 . 1830 . 1 1 3 TYR OH O 1.807 -8.187 -5.421 . . . 1.0 . . . . . . . . . . . . A . 3 TYR OH . . . . . . . . . rr_2dx3 1 . 7 . 1831 . 1 1 4 TRP C C -4.553 -3.286 -0.465 . . . 1.0 . . . . . . . . . . . . A . 4 TRP C . . . . . . . . . rr_2dx3 1 . 7 . 1832 . 1 1 4 TRP CA C -4.728 -4.056 -1.775 . . . 1.0 . . . . . . . . . . . . A . 4 TRP CA . . . . . . . . . rr_2dx3 1 . 7 . 1833 . 1 1 4 TRP CB C -6.109 -3.860 -2.403 . . . 1.0 . . . . . . . . . . . . A . 4 TRP CB . . . . . . . . . rr_2dx3 1 . 7 . 1834 . 1 1 4 TRP CD1 C -7.120 -5.299 -4.292 . . . 1.0 . . . . . . . . . . . . A . 4 TRP CD1 . . . . . . . . . rr_2dx3 1 . 7 . 1835 . 1 1 4 TRP CD2 C -5.395 -4.077 -4.952 . . . 1.0 . . . . . . . . . . . . A . 4 TRP CD2 . . . . . . . . . rr_2dx3 1 . 7 . 1836 . 1 1 4 TRP CE2 C -5.837 -4.792 -6.047 . . . 1.0 . . . . . . . . . . . . A . 4 TRP CE2 . . . . . . . . . rr_2dx3 1 . 7 . 1837 . 1 1 4 TRP CE3 C -4.301 -3.198 -5.044 . . . 1.0 . . . . . . . . . . . . A . 4 TRP CE3 . . . . . . . . . rr_2dx3 1 . 7 . 1838 . 1 1 4 TRP CG C -6.231 -4.412 -3.825 . . . 1.0 . . . . . . . . . . . . A . 4 TRP CG . . . . . . . . . rr_2dx3 1 . 7 . 1839 . 1 1 4 TRP CH2 C -4.153 -3.832 -7.427 . . . 1.0 . . . . . . . . . . . . A . 4 TRP CH2 . . . . . . . . . rr_2dx3 1 . 7 . 1840 . 1 1 4 TRP CZ2 C -5.244 -4.702 -7.312 . . . 1.0 . . . . . . . . . . . . A . 4 TRP CZ2 . . . . . . . . . rr_2dx3 1 . 7 . 1841 . 1 1 4 TRP CZ3 C -3.720 -3.119 -6.315 . . . 1.0 . . . . . . . . . . . . A . 4 TRP CZ3 . . . . . . . . . rr_2dx3 1 . 7 . 1842 . 1 1 4 TRP H H -5.263 -5.982 -1.190 . . . 1.0 . . . . . . . . . . . . A . 4 TRP H . . . . . . . . . rr_2dx3 1 . 7 . 1843 . 1 1 4 TRP HA H -3.995 -3.716 -2.508 . . . 1.0 . . . . . . . . . . . . A . 4 TRP HA . . . . . . . . . rr_2dx3 1 . 7 . 1844 . 1 1 4 TRP HB2 H -6.856 -4.342 -1.772 . . . 1.0 . . . . . . . . . . . . A . 4 TRP HB2 . . . . . . . . . rr_2dx3 1 . 7 . 1845 . 1 1 4 TRP HB3 H -6.343 -2.795 -2.417 . . . 1.0 . . . . . . . . . . . . A . 4 TRP HB3 . . . . . . . . . rr_2dx3 1 . 7 . 1846 . 1 1 4 TRP HD1 H -7.904 -5.758 -3.689 . . . 1.0 . . . . . . . . . . . . A . 4 TRP HD1 . . . . . . . . . rr_2dx3 1 . 7 . 1847 . 1 1 4 TRP HE1 H -7.503 -6.240 -6.252 . . . 1.0 . . . . . . . . . . . . A . 4 TRP HE1 . . . . . . . . . rr_2dx3 1 . 7 . 1848 . 1 1 4 TRP HE3 H -3.933 -2.622 -4.195 . . . 1.0 . . . . . . . . . . . . A . 4 TRP HE3 . . . . . . . . . rr_2dx3 1 . 7 . 1849 . 1 1 4 TRP HH2 H -3.645 -3.715 -8.385 . . . 1.0 . . . . . . . . . . . . A . 4 TRP HH2 . . . . . . . . . rr_2dx3 1 . 7 . 1850 . 1 1 4 TRP HZ2 H -5.612 -5.277 -8.161 . . . 1.0 . . . . . . . . . . . . A . 4 TRP HZ2 . . . . . . . . . rr_2dx3 1 . 7 . 1851 . 1 1 4 TRP HZ3 H -2.867 -2.452 -6.442 . . . 1.0 . . . . . . . . . . . . A . 4 TRP HZ3 . . . . . . . . . rr_2dx3 1 . 7 . 1852 . 1 1 4 TRP N N -4.472 -5.461 -1.509 . . . 1.0 . . . . . . . . . . . . A . 4 TRP N . . . . . . . . . rr_2dx3 1 . 7 . 1853 . 1 1 4 TRP NE1 N -6.920 -5.559 -5.632 . . . 1.0 . . . . . . . . . . . . A . 4 TRP NE1 . . . . . . . . . rr_2dx3 1 . 7 . 1854 . 1 1 4 TRP O O -4.028 -2.174 -0.459 . . . 1.0 . . . . . . . . . . . . A . 4 TRP O . . . . . . . . . rr_2dx3 1 . 7 . 1855 . 1 1 5 LEU C C -3.584 -3.718 2.583 . . . 1.0 . . . . . . . . . . . . A . 5 LEU C . . . . . . . . . rr_2dx3 1 . 7 . 1856 . 1 1 5 LEU CA C -4.902 -3.297 1.929 . . . 1.0 . . . . . . . . . . . . A . 5 LEU CA . . . . . . . . . rr_2dx3 1 . 7 . 1857 . 1 1 5 LEU CB C -6.138 -3.625 2.769 . . . 1.0 . . . . . . . . . . . . A . 5 LEU CB . . . . . . . . . rr_2dx3 1 . 7 . 1858 . 1 1 5 LEU CD1 C -7.351 -2.323 0.981 . . . 1.0 . . . . . . . . . . . . A . 5 LEU CD1 . . . . . . . . . rr_2dx3 1 . 7 . 1859 . 1 1 5 LEU CD2 C -8.138 -4.648 1.622 . . . 1.0 . . . . . . . . . . . . A . 5 LEU CD2 . . . . . . . . . rr_2dx3 1 . 7 . 1860 . 1 1 5 LEU CG C -7.490 -3.350 2.107 . . . 1.0 . . . . . . . . . . . . A . 5 LEU CG . . . . . . . . . rr_2dx3 1 . 7 . 1861 . 1 1 5 LEU H H -5.428 -4.814 0.602 . . . 1.0 . . . . . . . . . . . . A . 5 LEU H . . . . . . . . . rr_2dx3 1 . 7 . 1862 . 1 1 5 LEU HA H -4.886 -2.217 1.786 . . . 1.0 . . . . . . . . . . . . A . 5 LEU HA . . . . . . . . . rr_2dx3 1 . 7 . 1863 . 1 1 5 LEU HB2 H -6.098 -4.679 3.043 . . . 1.0 . . . . . . . . . . . . A . 5 LEU HB2 . . . . . . . . . rr_2dx3 1 . 7 . 1864 . 1 1 5 LEU HB3 H -6.086 -3.052 3.695 . . . 1.0 . . . . . . . . . . . . A . 5 LEU HB3 . . . . . . . . . rr_2dx3 1 . 7 . 1865 . 1 1 5 LEU HD11 H -6.939 -2.808 0.096 . . . 1.0 . . . . . . . . . . . . A . 5 LEU HD11 . . . . . . . . . rr_2dx3 1 . 7 . 1866 . 1 1 5 LEU HD12 H -8.331 -1.908 0.745 . . . 1.0 . . . . . . . . . . . . A . 5 LEU HD12 . . . . . . . . . rr_2dx3 1 . 7 . 1867 . 1 1 5 LEU HD13 H -6.684 -1.522 1.300 . . . 1.0 . . . . . . . . . . . . A . 5 LEU HD13 . . . . . . . . . rr_2dx3 1 . 7 . 1868 . 1 1 5 LEU HD21 H -9.148 -4.441 1.269 . . . 1.0 . . . . . . . . . . . . A . 5 LEU HD21 . . . . . . . . . rr_2dx3 1 . 7 . 1869 . 1 1 5 LEU HD22 H -7.547 -5.067 0.808 . . . 1.0 . . . . . . . . . . . . A . 5 LEU HD22 . . . . . . . . . rr_2dx3 1 . 7 . 1870 . 1 1 5 LEU HD23 H -8.180 -5.362 2.445 . . . 1.0 . . . . . . . . . . . . A . 5 LEU HD23 . . . . . . . . . rr_2dx3 1 . 7 . 1871 . 1 1 5 LEU HG H -8.155 -2.918 2.856 . . . 1.0 . . . . . . . . . . . . A . 5 LEU HG . . . . . . . . . rr_2dx3 1 . 7 . 1872 . 1 1 5 LEU N N -5.002 -3.909 0.615 . . . 1.0 . . . . . . . . . . . . A . 5 LEU N . . . . . . . . . rr_2dx3 1 . 7 . 1873 . 1 1 5 LEU O O -3.477 -3.747 3.808 . . . 1.0 . . . . . . . . . . . . A . 5 LEU O . . . . . . . . . rr_2dx3 1 . 7 . 1874 . 1 1 6 ALA C C -0.223 -3.829 1.340 . . . 1.0 . . . . . . . . . . . . A . 6 ALA C . . . . . . . . . rr_2dx3 1 . 7 . 1875 . 1 1 6 ALA CA C -1.309 -4.453 2.219 . . . 1.0 . . . . . . . . . . . . A . 6 ALA CA . . . . . . . . . rr_2dx3 1 . 7 . 1876 . 1 1 6 ALA CB C -1.237 -5.981 2.237 . . . 1.0 . . . . . . . . . . . . A . 6 ALA CB . . . . . . . . . rr_2dx3 1 . 7 . 1877 . 1 1 6 ALA H H -2.710 -4.008 0.743 . . . 1.0 . . . . . . . . . . . . A . 6 ALA H . . . . . . . . . rr_2dx3 1 . 7 . 1878 . 1 1 6 ALA HA H -1.197 -4.083 3.238 . . . 1.0 . . . . . . . . . . . . A . 6 ALA HA . . . . . . . . . rr_2dx3 1 . 7 . 1879 . 1 1 6 ALA HB1 H -0.220 -6.300 2.009 . . . 1.0 . . . . . . . . . . . . A . 6 ALA HB1 . . . . . . . . . rr_2dx3 1 . 7 . 1880 . 1 1 6 ALA HB2 H -1.519 -6.346 3.225 . . . 1.0 . . . . . . . . . . . . A . 6 ALA HB2 . . . . . . . . . rr_2dx3 1 . 7 . 1881 . 1 1 6 ALA HB3 H -1.921 -6.386 1.492 . . . 1.0 . . . . . . . . . . . . A . 6 ALA HB3 . . . . . . . . . rr_2dx3 1 . 7 . 1882 . 1 1 6 ALA N N -2.615 -4.034 1.738 . . . 1.0 . . . . . . . . . . . . A . 6 ALA N . . . . . . . . . rr_2dx3 1 . 7 . 1883 . 1 1 6 ALA O O 0.755 -3.284 1.850 . . . 1.0 . . . . . . . . . . . . A . 6 ALA O . . . . . . . . . rr_2dx3 1 . 7 . 1884 . 1 1 7 HIS C C 0.099 -1.960 -1.301 . . . 1.0 . . . . . . . . . . . . A . 7 HIS C . . . . . . . . . rr_2dx3 1 . 7 . 1885 . 1 1 7 HIS CA C 0.518 -3.381 -0.918 . . . 1.0 . . . . . . . . . . . . A . 7 HIS CA . . . . . . . . . rr_2dx3 1 . 7 . 1886 . 1 1 7 HIS CB C 0.663 -4.303 -2.130 . . . 1.0 . . . . . . . . . . . . A . 7 HIS CB . . . . . . . . . rr_2dx3 1 . 7 . 1887 . 1 1 7 HIS CD2 C 1.378 -6.299 -0.601 . . . 1.0 . . . . . . . . . . . . A . 7 HIS CD2 . . . . . . . . . rr_2dx3 1 . 7 . 1888 . 1 1 7 HIS CE1 C 2.091 -7.651 -2.167 . . . 1.0 . . . . . . . . . . . . A . 7 HIS CE1 . . . . . . . . . rr_2dx3 1 . 7 . 1889 . 1 1 7 HIS CG C 1.215 -5.669 -1.800 . . . 1.0 . . . . . . . . . . . . A . 7 HIS CG . . . . . . . . . rr_2dx3 1 . 7 . 1890 . 1 1 7 HIS H H -1.230 -4.374 -0.370 . . . 1.0 . . . . . . . . . . . . A . 7 HIS H . . . . . . . . . rr_2dx3 1 . 7 . 1891 . 1 1 7 HIS HA H 1.483 -3.343 -0.412 . . . 1.0 . . . . . . . . . . . . A . 7 HIS HA . . . . . . . . . rr_2dx3 1 . 7 . 1892 . 1 1 7 HIS HB2 H -0.312 -4.421 -2.603 . . . 1.0 . . . . . . . . . . . . A . 7 HIS HB2 . . . . . . . . . rr_2dx3 1 . 7 . 1893 . 1 1 7 HIS HB3 H 1.316 -3.826 -2.861 . . . 1.0 . . . . . . . . . . . . A . 7 HIS HB3 . . . . . . . . . rr_2dx3 1 . 7 . 1894 . 1 1 7 HIS HD1 H 1.689 -6.375 -3.753 . . . 1.0 . . . . . . . . . . . . A . 7 HIS HD1 . . . . . . . . . rr_2dx3 1 . 7 . 1895 . 1 1 7 HIS HD2 H 1.118 -5.888 0.374 . . . 1.0 . . . . . . . . . . . . A . 7 HIS HD2 . . . . . . . . . rr_2dx3 1 . 7 . 1896 . 1 1 7 HIS HE1 H 2.509 -8.530 -2.659 . . . 1.0 . . . . . . . . . . . . A . 7 HIS HE1 . . . . . . . . . rr_2dx3 1 . 7 . 1897 . 1 1 7 HIS HE2 H 2.184 -8.150 -0.120 . . . 1.0 . . . . . . . . . . . . A . 7 HIS HE2 . . . . . . . . . rr_2dx3 1 . 7 . 1898 . 1 1 7 HIS N N -0.431 -3.929 0.036 . . . 1.0 . . . . . . . . . . . . A . 7 HIS N . . . . . . . . . rr_2dx3 1 . 7 . 1899 . 1 1 7 HIS ND1 N 1.674 -6.546 -2.768 . . . 1.0 . . . . . . . . . . . . A . 7 HIS ND1 . . . . . . . . . rr_2dx3 1 . 7 . 1900 . 1 1 7 HIS NE2 N 1.906 -7.496 -0.824 . . . 1.0 . . . . . . . . . . . . A . 7 HIS NE2 . . . . . . . . . rr_2dx3 1 . 7 . 1901 . 1 1 7 HIS O O 0.944 -1.081 -1.457 . . . 1.0 . . . . . . . . . . . . A . 7 HIS O . . . . . . . . . rr_2dx3 1 . 7 . 1902 . 1 1 8 ALA C C -1.720 0.437 -0.579 . . . 1.0 . . . . . . . . . . . . A . 8 ALA C . . . . . . . . . rr_2dx3 1 . 7 . 1903 . 1 1 8 ALA CA C -1.748 -0.481 -1.803 . . . 1.0 . . . . . . . . . . . . A . 8 ALA CA . . . . . . . . . rr_2dx3 1 . 7 . 1904 . 1 1 8 ALA CB C -3.158 -0.656 -2.369 . . . 1.0 . . . . . . . . . . . . A . 8 ALA CB . . . . . . . . . rr_2dx3 1 . 7 . 1905 . 1 1 8 ALA H H -1.887 -2.501 -1.313 . . . 1.0 . . . . . . . . . . . . A . 8 ALA H . . . . . . . . . rr_2dx3 1 . 7 . 1906 . 1 1 8 ALA HA H -1.108 -0.059 -2.578 . . . 1.0 . . . . . . . . . . . . A . 8 ALA HA . . . . . . . . . rr_2dx3 1 . 7 . 1907 . 1 1 8 ALA HB1 H -3.367 -1.717 -2.505 . . . 1.0 . . . . . . . . . . . . A . 8 ALA HB1 . . . . . . . . . rr_2dx3 1 . 7 . 1908 . 1 1 8 ALA HB2 H -3.883 -0.229 -1.675 . . . 1.0 . . . . . . . . . . . . A . 8 ALA HB2 . . . . . . . . . rr_2dx3 1 . 7 . 1909 . 1 1 8 ALA HB3 H -3.230 -0.145 -3.329 . . . 1.0 . . . . . . . . . . . . A . 8 ALA HB3 . . . . . . . . . rr_2dx3 1 . 7 . 1910 . 1 1 8 ALA N N -1.206 -1.780 -1.441 . . . 1.0 . . . . . . . . . . . . A . 8 ALA N . . . . . . . . . rr_2dx3 1 . 7 . 1911 . 1 1 8 ALA O O -1.984 1.633 -0.690 . . . 1.0 . . . . . . . . . . . . A . 8 ALA O . . . . . . . . . rr_2dx3 1 . 7 . 1912 . 1 1 9 LYS C C 0.128 0.923 2.117 . . . 1.0 . . . . . . . . . . . . A . 9 LYS C . . . . . . . . . rr_2dx3 1 . 7 . 1913 . 1 1 9 LYS CA C -1.332 0.590 1.803 . . . 1.0 . . . . . . . . . . . . A . 9 LYS CA . . . . . . . . . rr_2dx3 1 . 7 . 1914 . 1 1 9 LYS CB C -2.044 -0.169 2.925 . . . 1.0 . . . . . . . . . . . . A . 9 LYS CB . . . . . . . . . rr_2dx3 1 . 7 . 1915 . 1 1 9 LYS CD C -0.093 -0.809 4.388 . . . 1.0 . . . . . . . . . . . . A . 9 LYS CD . . . . . . . . . rr_2dx3 1 . 7 . 1916 . 1 1 9 LYS CE C -0.316 -1.327 5.810 . . . 1.0 . . . . . . . . . . . . A . 9 LYS CE . . . . . . . . . rr_2dx3 1 . 7 . 1917 . 1 1 9 LYS CG C -1.180 -1.321 3.441 . . . 1.0 . . . . . . . . . . . . A . 9 LYS CG . . . . . . . . . rr_2dx3 1 . 7 . 1918 . 1 1 9 LYS H H -1.185 -1.132 0.642 . . . 1.0 . . . . . . . . . . . . A . 9 LYS H . . . . . . . . . rr_2dx3 1 . 7 . 1919 . 1 1 9 LYS HA H -1.874 1.524 1.651 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HA . . . . . . . . . rr_2dx3 1 . 7 . 1920 . 1 1 9 LYS HB2 H -2.274 0.514 3.743 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HB2 . . . . . . . . . rr_2dx3 1 . 7 . 1921 . 1 1 9 LYS HB3 H -2.995 -0.558 2.559 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HB3 . . . . . . . . . rr_2dx3 1 . 7 . 1922 . 1 1 9 LYS HD2 H 0.886 -1.129 4.030 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HD2 . . . . . . . . . rr_2dx3 1 . 7 . 1923 . 1 1 9 LYS HD3 H -0.091 0.280 4.390 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HD3 . . . . . . . . . rr_2dx3 1 . 7 . 1924 . 1 1 9 LYS HE2 H -0.289 -0.496 6.515 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HE2 . . . . . . . . . rr_2dx3 1 . 7 . 1925 . 1 1 9 LYS HE3 H -1.306 -1.778 5.888 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HE3 . . . . . . . . . rr_2dx3 1 . 7 . 1926 . 1 1 9 LYS HG2 H -1.808 -2.046 3.960 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HG2 . . . . . . . . . rr_2dx3 1 . 7 . 1927 . 1 1 9 LYS HG3 H -0.721 -1.841 2.601 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HG3 . . . . . . . . . rr_2dx3 1 . 7 . 1928 . 1 1 9 LYS HZ1 H 0.547 -3.175 5.674 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HZ1 . . . . . . . . . rr_2dx3 1 . 7 . 1929 . 1 1 9 LYS HZ2 H 1.621 -1.969 5.920 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HZ2 . . . . . . . . . rr_2dx3 1 . 7 . 1930 . 1 1 9 LYS HZ3 H 0.688 -2.496 7.153 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HZ3 . . . . . . . . . rr_2dx3 1 . 7 . 1931 . 1 1 9 LYS N N -1.398 -0.159 0.560 . . . 1.0 . . . . . . . . . . . . A . 9 LYS N . . . . . . . . . rr_2dx3 1 . 7 . 1932 . 1 1 9 LYS NZ N 0.719 -2.322 6.168 . . . 1.0 . . . . . . . . . . . . A . 9 LYS NZ . . . . . . . . . rr_2dx3 1 . 7 . 1933 . 1 1 9 LYS O O 0.450 2.060 2.458 . . . 1.0 . . . . . . . . . . . . A . 9 LYS O . . . . . . . . . rr_2dx3 1 . 7 . 1934 . 1 1 10 ALA C C 3.055 0.746 1.048 . . . 1.0 . . . . . . . . . . . . A . 10 ALA C . . . . . . . . . rr_2dx3 1 . 7 . 1935 . 1 1 10 ALA CA C 2.391 0.081 2.256 . . . 1.0 . . . . . . . . . . . . A . 10 ALA CA . . . . . . . . . rr_2dx3 1 . 7 . 1936 . 1 1 10 ALA CB C 3.015 -1.275 2.590 . . . 1.0 . . . . . . . . . . . . A . 10 ALA CB . . . . . . . . . rr_2dx3 1 . 7 . 1937 . 1 1 10 ALA H H 0.703 -1.012 1.712 . . . 1.0 . . . . . . . . . . . . A . 10 ALA H . . . . . . . . . rr_2dx3 1 . 7 . 1938 . 1 1 10 ALA HA H 2.490 0.736 3.121 . . . 1.0 . . . . . . . . . . . . A . 10 ALA HA . . . . . . . . . rr_2dx3 1 . 7 . 1939 . 1 1 10 ALA HB1 H 2.226 -1.988 2.833 . . . 1.0 . . . . . . . . . . . . A . 10 ALA HB1 . . . . . . . . . rr_2dx3 1 . 7 . 1940 . 1 1 10 ALA HB2 H 3.579 -1.638 1.731 . . . 1.0 . . . . . . . . . . . . A . 10 ALA HB2 . . . . . . . . . rr_2dx3 1 . 7 . 1941 . 1 1 10 ALA HB3 H 3.683 -1.167 3.444 . . . 1.0 . . . . . . . . . . . . A . 10 ALA HB3 . . . . . . . . . rr_2dx3 1 . 7 . 1942 . 1 1 10 ALA N N 0.973 -0.090 1.990 . . . 1.0 . . . . . . . . . . . . A . 10 ALA N . . . . . . . . . rr_2dx3 1 . 7 . 1943 . 1 1 10 ALA O O 3.955 1.569 1.206 . . . 1.0 . . . . . . . . . . . . A . 10 ALA O . . . . . . . . . rr_2dx3 1 . 7 . 1944 . 1 1 11 GLY C C 2.444 2.241 -1.714 . . . 1.0 . . . . . . . . . . . . A . 11 GLY C . . . . . . . . . rr_2dx3 1 . 7 . 1945 . 1 1 11 GLY CA C 3.121 0.915 -1.363 . . . 1.0 . . . . . . . . . . . . A . 11 GLY CA . . . . . . . . . rr_2dx3 1 . 7 . 1946 . 1 1 11 GLY H H 1.852 -0.305 -0.250 . . . 1.0 . . . . . . . . . . . . A . 11 GLY H . . . . . . . . . rr_2dx3 1 . 7 . 1947 . 1 1 11 GLY HA2 H 4.196 1.067 -1.260 . . . 1.0 . . . . . . . . . . . . A . 11 GLY HA2 . . . . . . . . . rr_2dx3 1 . 7 . 1948 . 1 1 11 GLY HA3 H 2.977 0.203 -2.176 . . . 1.0 . . . . . . . . . . . . A . 11 GLY HA3 . . . . . . . . . rr_2dx3 1 . 7 . 1949 . 1 1 11 GLY N N 2.585 0.365 -0.130 . . . 1.0 . . . . . . . . . . . . A . 11 GLY N . . . . . . . . . rr_2dx3 1 . 7 . 1950 . 1 1 11 GLY O O 2.575 2.733 -2.833 . . . 1.0 . . . . . . . . . . . . A . 11 GLY O . . . . . . . . . rr_2dx3 1 . 7 . 1951 . 1 1 12 TYR C C 1.948 5.228 -0.616 . . . 1.0 . . . . . . . . . . . . A . 12 TYR C . . . . . . . . . rr_2dx3 1 . 7 . 1952 . 1 1 12 TYR CA C 1.034 4.041 -0.926 . . . 1.0 . . . . . . . . . . . . A . 12 TYR CA . . . . . . . . . rr_2dx3 1 . 7 . 1953 . 1 1 12 TYR CB C -0.128 4.034 0.070 . . . 1.0 . . . . . . . . . . . . A . 12 TYR CB . . . . . . . . . rr_2dx3 1 . 7 . 1954 . 1 1 12 TYR CD1 C 1.508 4.326 1.966 . . . 1.0 . . . . . . . . . . . . A . 12 TYR CD1 . . . . . . . . . rr_2dx3 1 . 7 . 1955 . 1 1 12 TYR CD2 C -0.687 5.238 2.214 . . . 1.0 . . . . . . . . . . . . A . 12 TYR CD2 . . . . . . . . . rr_2dx3 1 . 7 . 1956 . 1 1 12 TYR CE1 C 1.858 4.811 3.276 . . . 1.0 . . . . . . . . . . . . A . 12 TYR CE1 . . . . . . . . . rr_2dx3 1 . 7 . 1957 . 1 1 12 TYR CE2 C -0.338 5.723 3.524 . . . 1.0 . . . . . . . . . . . . A . 12 TYR CE2 . . . . . . . . . rr_2dx3 1 . 7 . 1958 . 1 1 12 TYR CG C 0.243 4.549 1.462 . . . 1.0 . . . . . . . . . . . . A . 12 TYR CG . . . . . . . . . rr_2dx3 1 . 7 . 1959 . 1 1 12 TYR CZ C 0.917 5.485 3.991 . . . 1.0 . . . . . . . . . . . . A . 12 TYR CZ . . . . . . . . . rr_2dx3 1 . 7 . 1960 . 1 1 12 TYR H H 1.630 2.375 0.173 . . . 1.0 . . . . . . . . . . . . A . 12 TYR H . . . . . . . . . rr_2dx3 1 . 7 . 1961 . 1 1 12 TYR HA H 0.719 4.097 -1.968 . . . 1.0 . . . . . . . . . . . . A . 12 TYR HA . . . . . . . . . rr_2dx3 1 . 7 . 1962 . 1 1 12 TYR HB2 H -0.938 4.645 -0.328 . . . 1.0 . . . . . . . . . . . . A . 12 TYR HB2 . . . . . . . . . rr_2dx3 1 . 7 . 1963 . 1 1 12 TYR HB3 H -0.510 3.017 0.160 . . . 1.0 . . . . . . . . . . . . A . 12 TYR HB3 . . . . . . . . . rr_2dx3 1 . 7 . 1964 . 1 1 12 TYR HD1 H 2.243 3.782 1.372 . . . 1.0 . . . . . . . . . . . . A . 12 TYR HD1 . . . . . . . . . rr_2dx3 1 . 7 . 1965 . 1 1 12 TYR HD2 H -1.686 5.414 1.815 . . . 1.0 . . . . . . . . . . . . A . 12 TYR HD2 . . . . . . . . . rr_2dx3 1 . 7 . 1966 . 1 1 12 TYR HE1 H 2.853 4.641 3.686 . . . 1.0 . . . . . . . . . . . . A . 12 TYR HE1 . . . . . . . . . rr_2dx3 1 . 7 . 1967 . 1 1 12 TYR HE2 H -1.063 6.268 4.128 . . . 1.0 . . . . . . . . . . . . A . 12 TYR HE2 . . . . . . . . . rr_2dx3 1 . 7 . 1968 . 1 1 12 TYR HH H 0.432 6.287 5.694 . . . 1.0 . . . . . . . . . . . . A . 12 TYR HH . . . . . . . . . rr_2dx3 1 . 7 . 1969 . 1 1 12 TYR N N 1.732 2.782 -0.735 . . . 1.0 . . . . . . . . . . . . A . 12 TYR N . . . . . . . . . rr_2dx3 1 . 7 . 1970 . 1 1 12 TYR O O 1.474 6.343 -0.404 . . . 1.0 . . . . . . . . . . . . A . 12 TYR O . . . . . . . . . rr_2dx3 1 . 7 . 1971 . 1 1 12 TYR OH O 1.247 5.943 5.228 . . . 1.0 . . . . . . . . . . . . A . 12 TYR OH . . . . . . . . . rr_2dx3 1 . 7 . 1972 . 1 1 13 ILE C C 4.582 6.706 -1.619 . . . 1.0 . . . . . . . . . . . . A . 13 ILE C . . . . . . . . . rr_2dx3 1 . 7 . 1973 . 1 1 13 ILE CA C 4.228 5.978 -0.320 . . . 1.0 . . . . . . . . . . . . A . 13 ILE CA . . . . . . . . . rr_2dx3 1 . 7 . 1974 . 1 1 13 ILE CB C 5.439 5.381 0.400 . . . 1.0 . . . . . . . . . . . . A . 13 ILE CB . . . . . . . . . rr_2dx3 1 . 7 . 1975 . 1 1 13 ILE CD1 C 5.839 3.431 -1.149 . . . 1.0 . . . . . . . . . . . . A . 13 ILE CD1 . . . . . . . . . rr_2dx3 1 . 7 . 1976 . 1 1 13 ILE CG1 C 6.408 4.740 -0.596 . . . 1.0 . . . . . . . . . . . . A . 13 ILE CG1 . . . . . . . . . rr_2dx3 1 . 7 . 1977 . 1 1 13 ILE CG2 C 5.000 4.397 1.487 . . . 1.0 . . . . . . . . . . . . A . 13 ILE CG2 . . . . . . . . . rr_2dx3 1 . 7 . 1978 . 1 1 13 ILE H H 3.621 4.038 -0.774 . . . 1.0 . . . . . . . . . . . . A . 13 ILE H . . . . . . . . . rr_2dx3 1 . 7 . 1979 . 1 1 13 ILE HA H 3.768 6.693 0.362 . . . 1.0 . . . . . . . . . . . . A . 13 ILE HA . . . . . . . . . rr_2dx3 1 . 7 . 1980 . 1 1 13 ILE HB H 5.976 6.190 0.895 . . . 1.0 . . . . . . . . . . . . A . 13 ILE HB . . . . . . . . . rr_2dx3 1 . 7 . 1981 . 1 1 13 ILE HD11 H 5.332 2.889 -0.351 . . . 1.0 . . . . . . . . . . . . A . 13 ILE HD11 . . . . . . . . . rr_2dx3 1 . 7 . 1982 . 1 1 13 ILE HD12 H 5.129 3.651 -1.946 . . . 1.0 . . . . . . . . . . . . A . 13 ILE HD12 . . . . . . . . . rr_2dx3 1 . 7 . 1983 . 1 1 13 ILE HD13 H 6.651 2.820 -1.544 . . . 1.0 . . . . . . . . . . . . A . 13 ILE HD13 . . . . . . . . . rr_2dx3 1 . 7 . 1984 . 1 1 13 ILE HG12 H 6.602 5.431 -1.416 . . . 1.0 . . . . . . . . . . . . A . 13 ILE HG12 . . . . . . . . . rr_2dx3 1 . 7 . 1985 . 1 1 13 ILE HG13 H 7.363 4.548 -0.108 . . . 1.0 . . . . . . . . . . . . A . 13 ILE HG13 . . . . . . . . . rr_2dx3 1 . 7 . 1986 . 1 1 13 ILE HG21 H 5.855 3.797 1.800 . . . 1.0 . . . . . . . . . . . . A . 13 ILE HG21 . . . . . . . . . rr_2dx3 1 . 7 . 1987 . 1 1 13 ILE HG22 H 4.612 4.951 2.342 . . . 1.0 . . . . . . . . . . . . A . 13 ILE HG22 . . . . . . . . . rr_2dx3 1 . 7 . 1988 . 1 1 13 ILE HG23 H 4.222 3.744 1.093 . . . 1.0 . . . . . . . . . . . . A . 13 ILE HG23 . . . . . . . . . rr_2dx3 1 . 7 . 1989 . 1 1 13 ILE N N 3.243 4.948 -0.600 . . . 1.0 . . . . . . . . . . . . A . 13 ILE N . . . . . . . . . rr_2dx3 1 . 7 . 1990 . 1 1 13 ILE O O 5.091 7.825 -1.588 . . . 1.0 . . . . . . . . . . . . A . 13 ILE O . . . . . . . . . rr_2dx3 1 . 7 . 1991 . 1 1 14 VAL C C 3.849 7.946 -4.173 . . . 1.0 . . . . . . . . . . . . A . 14 VAL C . . . . . . . . . rr_2dx3 1 . 7 . 1992 . 1 1 14 VAL CA C 4.581 6.609 -4.035 . . . 1.0 . . . . . . . . . . . . A . 14 VAL CA . . . . . . . . . rr_2dx3 1 . 7 . 1993 . 1 1 14 VAL CB C 4.212 5.609 -5.133 . . . 1.0 . . . . . . . . . . . . A . 14 VAL CB . . . . . . . . . rr_2dx3 1 . 7 . 1994 . 1 1 14 VAL CG1 C 4.600 6.142 -6.513 . . . 1.0 . . . . . . . . . . . . A . 14 VAL CG1 . . . . . . . . . rr_2dx3 1 . 7 . 1995 . 1 1 14 VAL CG2 C 4.854 4.246 -4.870 . . . 1.0 . . . . . . . . . . . . A . 14 VAL CG2 . . . . . . . . . rr_2dx3 1 . 7 . 1996 . 1 1 14 VAL H H 3.885 5.130 -2.745 . . . 1.0 . . . . . . . . . . . . A . 14 VAL H . . . . . . . . . rr_2dx3 1 . 7 . 1997 . 1 1 14 VAL HA H 5.655 6.790 -4.090 . . . 1.0 . . . . . . . . . . . . A . 14 VAL HA . . . . . . . . . rr_2dx3 1 . 7 . 1998 . 1 1 14 VAL HB H 3.130 5.478 -5.116 . . . 1.0 . . . . . . . . . . . . A . 14 VAL HB . . . . . . . . . rr_2dx3 1 . 7 . 1999 . 1 1 14 VAL HG11 H 5.087 5.351 -7.084 . . . 1.0 . . . . . . . . . . . . A . 14 VAL HG11 . . . . . . . . . rr_2dx3 1 . 7 . 2000 . 1 1 14 VAL HG12 H 3.705 6.473 -7.040 . . . 1.0 . . . . . . . . . . . . A . 14 VAL HG12 . . . . . . . . . rr_2dx3 1 . 7 . 2001 . 1 1 14 VAL HG13 H 5.286 6.982 -6.399 . . . 1.0 . . . . . . . . . . . . A . 14 VAL HG13 . . . . . . . . . rr_2dx3 1 . 7 . 2002 . 1 1 14 VAL HG21 H 4.181 3.637 -4.267 . . . 1.0 . . . . . . . . . . . . A . 14 VAL HG21 . . . . . . . . . rr_2dx3 1 . 7 . 2003 . 1 1 14 VAL HG22 H 5.044 3.745 -5.820 . . . 1.0 . . . . . . . . . . . . A . 14 VAL HG22 . . . . . . . . . rr_2dx3 1 . 7 . 2004 . 1 1 14 VAL HG23 H 5.795 4.384 -4.338 . . . 1.0 . . . . . . . . . . . . A . 14 VAL HG23 . . . . . . . . . rr_2dx3 1 . 7 . 2005 . 1 1 14 VAL N N 4.299 6.040 -2.729 . . . 1.0 . . . . . . . . . . . . A . 14 VAL N . . . . . . . . . rr_2dx3 1 . 7 . 2006 . 1 1 14 VAL O O 4.183 8.754 -5.038 . . . 1.0 . . . . . . . . . . . . A . 14 VAL O . . . . . . . . . rr_2dx3 1 . 7 . 2007 . 1 1 15 HIS C C 2.255 10.096 -1.992 . . . 1.0 . . . . . . . . . . . . A . 15 HIS C . . . . . . . . . rr_2dx3 1 . 7 . 2008 . 1 1 15 HIS CA C 2.082 9.361 -3.322 . . . 1.0 . . . . . . . . . . . . A . 15 HIS CA . . . . . . . . . rr_2dx3 1 . 7 . 2009 . 1 1 15 HIS CB C 0.617 9.066 -3.651 . . . 1.0 . . . . . . . . . . . . A . 15 HIS CB . . . . . . . . . rr_2dx3 1 . 7 . 2010 . 1 1 15 HIS CD2 C 0.607 6.455 -3.547 . . . 1.0 . . . . . . . . . . . . A . 15 HIS CD2 . . . . . . . . . rr_2dx3 1 . 7 . 2011 . 1 1 15 HIS CE1 C -0.275 6.068 -5.511 . . . 1.0 . . . . . . . . . . . . A . 15 HIS CE1 . . . . . . . . . rr_2dx3 1 . 7 . 2012 . 1 1 15 HIS CG C 0.369 7.660 -4.140 . . . 1.0 . . . . . . . . . . . . A . 15 HIS CG . . . . . . . . . rr_2dx3 1 . 7 . 2013 . 1 1 15 HIS H H 2.599 7.474 -2.607 . . . 1.0 . . . . . . . . . . . . A . 15 HIS H . . . . . . . . . rr_2dx3 1 . 7 . 2014 . 1 1 15 HIS HA H 2.485 9.980 -4.124 . . . 1.0 . . . . . . . . . . . . A . 15 HIS HA . . . . . . . . . rr_2dx3 1 . 7 . 2015 . 1 1 15 HIS HB2 H 0.013 9.243 -2.761 . . . 1.0 . . . . . . . . . . . . A . 15 HIS HB2 . . . . . . . . . rr_2dx3 1 . 7 . 2016 . 1 1 15 HIS HB3 H 0.278 9.770 -4.411 . . . 1.0 . . . . . . . . . . . . A . 15 HIS HB3 . . . . . . . . . rr_2dx3 1 . 7 . 2017 . 1 1 15 HIS HD1 H -0.473 8.061 -6.055 . . . 1.0 . . . . . . . . . . . . A . 15 HIS HD1 . . . . . . . . . rr_2dx3 1 . 7 . 2018 . 1 1 15 HIS HD2 H 1.043 6.306 -2.559 . . . 1.0 . . . . . . . . . . . . A . 15 HIS HD2 . . . . . . . . . rr_2dx3 1 . 7 . 2019 . 1 1 15 HIS HE1 H -0.672 5.537 -6.377 . . . 1.0 . . . . . . . . . . . . A . 15 HIS HE1 . . . . . . . . . rr_2dx3 1 . 7 . 2020 . 1 1 15 HIS HE2 H 0.326 4.512 -4.221 . . . 1.0 . . . . . . . . . . . . A . 15 HIS HE2 . . . . . . . . . rr_2dx3 1 . 7 . 2021 . 1 1 15 HIS N N 2.864 8.137 -3.308 . . . 1.0 . . . . . . . . . . . . A . 15 HIS N . . . . . . . . . rr_2dx3 1 . 7 . 2022 . 1 1 15 HIS ND1 N -0.187 7.383 -5.377 . . . 1.0 . . . . . . . . . . . . A . 15 HIS ND1 . . . . . . . . . rr_2dx3 1 . 7 . 2023 . 1 1 15 HIS NE2 N 0.216 5.494 -4.376 . . . 1.0 . . . . . . . . . . . . A . 15 HIS NE2 . . . . . . . . . rr_2dx3 1 . 7 . 2024 . 1 1 15 HIS O O 2.336 11.323 -1.962 . . . 1.0 . . . . . . . . . . . . A . 15 HIS O . . . . . . . . . rr_2dx3 1 . 7 . 2025 . 1 1 16 TRP C C 3.839 10.550 0.473 . . . 1.0 . . . . . . . . . . . . A . 16 TRP C . . . . . . . . . rr_2dx3 1 . 7 . 2026 . 1 1 16 TRP CA C 2.467 9.876 0.408 . . . 1.0 . . . . . . . . . . . . A . 16 TRP CA . . . . . . . . . rr_2dx3 1 . 7 . 2027 . 1 1 16 TRP CB C 2.275 8.804 1.482 . . . 1.0 . . . . . . . . . . . . A . 16 TRP CB . . . . . . . . . rr_2dx3 1 . 7 . 2028 . 1 1 16 TRP CD1 C 4.257 7.868 2.845 . . . 1.0 . . . . . . . . . . . . A . 16 TRP CD1 . . . . . . . . . rr_2dx3 1 . 7 . 2029 . 1 1 16 TRP CD2 C 3.595 9.869 3.527 . . . 1.0 . . . . . . . . . . . . A . 16 TRP CD2 . . . . . . . . . rr_2dx3 1 . 7 . 2030 . 1 1 16 TRP CE2 C 4.649 9.487 4.331 . . . 1.0 . . . . . . . . . . . . A . 16 TRP CE2 . . . . . . . . . rr_2dx3 1 . 7 . 2031 . 1 1 16 TRP CE3 C 2.946 11.103 3.706 . . . 1.0 . . . . . . . . . . . . A . 16 TRP CE3 . . . . . . . . . rr_2dx3 1 . 7 . 2032 . 1 1 16 TRP CG C 3.350 8.815 2.571 . . . 1.0 . . . . . . . . . . . . A . 16 TRP CG . . . . . . . . . rr_2dx3 1 . 7 . 2033 . 1 1 16 TRP CH2 C 4.518 11.516 5.566 . . . 1.0 . . . . . . . . . . . . A . 16 TRP CH2 . . . . . . . . . rr_2dx3 1 . 7 . 2034 . 1 1 16 TRP CZ2 C 5.149 10.282 5.369 . . . 1.0 . . . . . . . . . . . . A . 16 TRP CZ2 . . . . . . . . . rr_2dx3 1 . 7 . 2035 . 1 1 16 TRP CZ3 C 3.457 11.886 4.748 . . . 1.0 . . . . . . . . . . . . A . 16 TRP CZ3 . . . . . . . . . rr_2dx3 1 . 7 . 2036 . 1 1 16 TRP H H 2.239 8.318 -0.956 . . . 1.0 . . . . . . . . . . . . A . 16 TRP H . . . . . . . . . rr_2dx3 1 . 7 . 2037 . 1 1 16 TRP HA H 1.681 10.617 0.554 . . . 1.0 . . . . . . . . . . . . A . 16 TRP HA . . . . . . . . . rr_2dx3 1 . 7 . 2038 . 1 1 16 TRP HB2 H 1.299 8.941 1.948 . . . 1.0 . . . . . . . . . . . . A . 16 TRP HB2 . . . . . . . . . rr_2dx3 1 . 7 . 2039 . 1 1 16 TRP HB3 H 2.266 7.824 1.005 . . . 1.0 . . . . . . . . . . . . A . 16 TRP HB3 . . . . . . . . . rr_2dx3 1 . 7 . 2040 . 1 1 16 TRP HD1 H 4.346 6.928 2.300 . . . 1.0 . . . . . . . . . . . . A . 16 TRP HD1 . . . . . . . . . rr_2dx3 1 . 7 . 2041 . 1 1 16 TRP HE1 H 5.880 7.643 4.325 . . . 1.0 . . . . . . . . . . . . A . 16 TRP HE1 . . . . . . . . . rr_2dx3 1 . 7 . 2042 . 1 1 16 TRP HE3 H 2.111 11.427 3.085 . . . 1.0 . . . . . . . . . . . . A . 16 TRP HE3 . . . . . . . . . rr_2dx3 1 . 7 . 2043 . 1 1 16 TRP HH2 H 4.857 12.184 6.358 . . . 1.0 . . . . . . . . . . . . A . 16 TRP HH2 . . . . . . . . . rr_2dx3 1 . 7 . 2044 . 1 1 16 TRP HZ2 H 5.984 9.958 5.990 . . . 1.0 . . . . . . . . . . . . A . 16 TRP HZ2 . . . . . . . . . rr_2dx3 1 . 7 . 2045 . 1 1 16 TRP HZ3 H 2.990 12.854 4.931 . . . 1.0 . . . . . . . . . . . . A . 16 TRP HZ3 . . . . . . . . . rr_2dx3 1 . 7 . 2046 . 1 1 16 TRP N N 2.305 9.315 -0.923 . . . 1.0 . . . . . . . . . . . . A . 16 TRP N . . . . . . . . . rr_2dx3 1 . 7 . 2047 . 1 1 16 TRP NE1 N 5.065 8.231 3.903 . . . 1.0 . . . . . . . . . . . . A . 16 TRP NE1 . . . . . . . . . rr_2dx3 1 . 7 . 2048 . 1 1 16 TRP O O 3.939 11.773 0.380 . . . 1.0 . . . . . . . . . . . . A . 16 TRP O . . . . . . . . . rr_2dx3 1 . 7 . 2049 . 1 1 17 THR C C 7.210 9.167 0.213 . . . 1.0 . . . . . . . . . . . . A . 17 THR C . . . . . . . . . rr_2dx3 1 . 7 . 2050 . 1 1 17 THR CA C 6.223 10.224 0.712 . . . 1.0 . . . . . . . . . . . . A . 17 THR CA . . . . . . . . . rr_2dx3 1 . 7 . 2051 . 1 1 17 THR CB C 6.482 10.664 2.155 . . . 1.0 . . . . . . . . . . . . A . 17 THR CB . . . . . . . . . rr_2dx3 1 . 7 . 2052 . 1 1 17 THR CG2 C 7.241 9.608 2.961 . . . 1.0 . . . . . . . . . . . . A . 17 THR CG2 . . . . . . . . . rr_2dx3 1 . 7 . 2053 . 1 1 17 THR H H 4.772 8.730 0.708 . . . 1.0 . . . . . . . . . . . . A . 17 THR H . . . . . . . . . rr_2dx3 1 . 7 . 2054 . 1 1 17 THR HA H 6.313 11.084 0.048 . . . 1.0 . . . . . . . . . . . . A . 17 THR HA . . . . . . . . . rr_2dx3 1 . 7 . 2055 . 1 1 17 THR HB H 5.552 10.939 2.651 . . . 1.0 . . . . . . . . . . . . A . 17 THR HB . . . . . . . . . rr_2dx3 1 . 7 . 2056 . 1 1 17 THR HG1 H 7.032 12.567 2.440 . . . 1.0 . . . . . . . . . . . . A . 17 THR HG1 . . . . . . . . . rr_2dx3 1 . 7 . 2057 . 1 1 17 THR HG21 H 7.010 9.725 4.020 . . . 1.0 . . . . . . . . . . . . A . 17 THR HG21 . . . . . . . . . rr_2dx3 1 . 7 . 2058 . 1 1 17 THR HG22 H 6.940 8.614 2.632 . . . 1.0 . . . . . . . . . . . . A . 17 THR HG22 . . . . . . . . . rr_2dx3 1 . 7 . 2059 . 1 1 17 THR HG23 H 8.313 9.734 2.807 . . . 1.0 . . . . . . . . . . . . A . 17 THR HG23 . . . . . . . . . rr_2dx3 1 . 7 . 2060 . 1 1 17 THR N N 4.862 9.723 0.633 . . . 1.0 . . . . . . . . . . . . A . 17 THR N . . . . . . . . . rr_2dx3 1 . 7 . 2061 . 1 1 17 THR O O 6.844 8.007 0.032 . . . 1.0 . . . . . . . . . . . . A . 17 THR O . . . . . . . . . rr_2dx3 1 . 7 . 2062 . 1 1 17 THR OG1 O 7.411 11.738 2.029 . . . 1.0 . . . . . . . . . . . . A . 17 THR OG1 . . . . . . . . . rr_2dx3 1 . 7 . 2063 . 1 1 18 ALA C C 10.758 9.517 -0.739 . . . 1.0 . . . . . . . . . . . . A . 18 ALA C . . . . . . . . . rr_2dx3 1 . 7 . 2064 . 1 1 18 ALA CA C 9.485 8.712 -0.470 . . . 1.0 . . . . . . . . . . . . A . 18 ALA CA . . . . . . . . . rr_2dx3 1 . 7 . 2065 . 1 1 18 ALA CB C 8.993 7.968 -1.713 . . . 1.0 . . . . . . . . . . . . A . 18 ALA CB . . . . . . . . . rr_2dx3 1 . 7 . 2066 . 1 1 18 ALA H H 8.733 10.551 0.154 . . . 1.0 . . . . . . . . . . . . A . 18 ALA H . . . . . . . . . rr_2dx3 1 . 7 . 2067 . 1 1 18 ALA HA H 9.684 7.986 0.318 . . . 1.0 . . . . . . . . . . . . A . 18 ALA HA . . . . . . . . . rr_2dx3 1 . 7 . 2068 . 1 1 18 ALA HB1 H 7.936 8.183 -1.870 . . . 1.0 . . . . . . . . . . . . A . 18 ALA HB1 . . . . . . . . . rr_2dx3 1 . 7 . 2069 . 1 1 18 ALA HB2 H 9.563 8.296 -2.583 . . . 1.0 . . . . . . . . . . . . A . 18 ALA HB2 . . . . . . . . . rr_2dx3 1 . 7 . 2070 . 1 1 18 ALA HB3 H 9.129 6.896 -1.573 . . . 1.0 . . . . . . . . . . . . A . 18 ALA HB3 . . . . . . . . . rr_2dx3 1 . 7 . 2071 . 1 1 18 ALA N N 8.443 9.606 0.004 . . . 1.0 . . . . . . . . . . . . A . 18 ALA N . . . . . . . . . rr_2dx3 1 . 7 . 2072 . 1 1 18 ALA O O 11.851 8.955 -0.802 . . . 1.0 . . . . . . . . . . . . A . 18 ALA O . . . . . . . . . rr_2dx3 1 . 8 . 2073 . 1 1 1 ILE C C -6.028 -10.418 3.070 . . . 1.0 . . . . . . . . . . . . A . 1 ILE C . . . . . . . . . rr_2dx3 1 . 8 . 2074 . 1 1 1 ILE CA C -5.577 -11.552 3.992 . . . 1.0 . . . . . . . . . . . . A . 1 ILE CA . . . . . . . . . rr_2dx3 1 . 8 . 2075 . 1 1 1 ILE CB C -5.146 -12.816 3.246 . . . 1.0 . . . . . . . . . . . . A . 1 ILE CB . . . . . . . . . rr_2dx3 1 . 8 . 2076 . 1 1 1 ILE CD1 C -4.648 -15.161 4.030 . . . 1.0 . . . . . . . . . . . . A . 1 ILE CD1 . . . . . . . . . rr_2dx3 1 . 8 . 2077 . 1 1 1 ILE CG1 C -4.242 -13.688 4.120 . . . 1.0 . . . . . . . . . . . . A . 1 ILE CG1 . . . . . . . . . rr_2dx3 1 . 8 . 2078 . 1 1 1 ILE CG2 C -4.486 -12.466 1.910 . . . 1.0 . . . . . . . . . . . . A . 1 ILE CG2 . . . . . . . . . rr_2dx3 1 . 8 . 2079 . 1 1 1 ILE H1 H -6.760 -11.184 5.666 . . . 1.0 . . . . . . . . . . . . A . 1 ILE H1 . . . . . . . . . rr_2dx3 1 . 8 . 2080 . 1 1 1 ILE HA H -4.717 -11.209 4.567 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HA . . . . . . . . . rr_2dx3 1 . 8 . 2081 . 1 1 1 ILE HB H -6.037 -13.401 3.020 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HB . . . . . . . . . rr_2dx3 1 . 8 . 2082 . 1 1 1 ILE HD11 H -3.753 -15.782 3.986 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HD11 . . . . . . . . . rr_2dx3 1 . 8 . 2083 . 1 1 1 ILE HD12 H -5.235 -15.431 4.907 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HD12 . . . . . . . . . rr_2dx3 1 . 8 . 2084 . 1 1 1 ILE HD13 H -5.244 -15.319 3.131 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HD13 . . . . . . . . . rr_2dx3 1 . 8 . 2085 . 1 1 1 ILE HG12 H -3.205 -13.573 3.806 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HG12 . . . . . . . . . rr_2dx3 1 . 8 . 2086 . 1 1 1 ILE HG13 H -4.301 -13.354 5.156 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HG13 . . . . . . . . . rr_2dx3 1 . 8 . 2087 . 1 1 1 ILE HG21 H -5.198 -11.930 1.283 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HG21 . . . . . . . . . rr_2dx3 1 . 8 . 2088 . 1 1 1 ILE HG22 H -3.614 -11.837 2.090 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HG22 . . . . . . . . . rr_2dx3 1 . 8 . 2089 . 1 1 1 ILE HG23 H -4.175 -13.382 1.407 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HG23 . . . . . . . . . rr_2dx3 1 . 8 . 2090 . 1 1 1 ILE N N -6.639 -11.856 4.936 . . . 1.0 . . . . . . . . . . . . A . 1 ILE N . . . . . . . . . rr_2dx3 1 . 8 . 2091 . 1 1 1 ILE O O -7.224 -10.171 2.924 . . . 1.0 . . . . . . . . . . . . A . 1 ILE O . . . . . . . . . rr_2dx3 1 . 8 . 2092 . 1 1 2 ASN C C -4.044 -8.259 0.839 . . . 1.0 . . . . . . . . . . . . A . 2 ASN C . . . . . . . . . rr_2dx3 1 . 8 . 2093 . 1 1 2 ASN CA C -5.329 -8.655 1.569 . . . 1.0 . . . . . . . . . . . . A . 2 ASN CA . . . . . . . . . rr_2dx3 1 . 8 . 2094 . 1 1 2 ASN CB C -5.834 -7.430 2.335 . . . 1.0 . . . . . . . . . . . . A . 2 ASN CB . . . . . . . . . rr_2dx3 1 . 8 . 2095 . 1 1 2 ASN CG C -7.333 -7.542 2.620 . . . 1.0 . . . . . . . . . . . . A . 2 ASN CG . . . . . . . . . rr_2dx3 1 . 8 . 2096 . 1 1 2 ASN H H -4.077 -9.964 2.598 . . . 1.0 . . . . . . . . . . . . A . 2 ASN H . . . . . . . . . rr_2dx3 1 . 8 . 2097 . 1 1 2 ASN HA H -6.095 -9.029 0.891 . . . 1.0 . . . . . . . . . . . . A . 2 ASN HA . . . . . . . . . rr_2dx3 1 . 8 . 2098 . 1 1 2 ASN HB2 H -5.288 -7.333 3.274 . . . 1.0 . . . . . . . . . . . . A . 2 ASN HB2 . . . . . . . . . rr_2dx3 1 . 8 . 2099 . 1 1 2 ASN HB3 H -5.637 -6.528 1.756 . . . 1.0 . . . . . . . . . . . . A . 2 ASN HB3 . . . . . . . . . rr_2dx3 1 . 8 . 2100 . 1 1 2 ASN HD21 H -7.638 -7.854 0.643 . . . 1.0 . . . . . . . . . . . . A . 2 ASN HD21 . . . . . . . . . rr_2dx3 1 . 8 . 2101 . 1 1 2 ASN HD22 H -9.066 -7.860 1.623 . . . 1.0 . . . . . . . . . . . . A . 2 ASN HD22 . . . . . . . . . rr_2dx3 1 . 8 . 2102 . 1 1 2 ASN N N -5.047 -9.757 2.473 . . . 1.0 . . . . . . . . . . . . A . 2 ASN N . . . . . . . . . rr_2dx3 1 . 8 . 2103 . 1 1 2 ASN ND2 N -8.074 -7.771 1.540 . . . 1.0 . . . . . . . . . . . . A . 2 ASN ND2 . . . . . . . . . rr_2dx3 1 . 8 . 2104 . 1 1 2 ASN O O -2.960 -8.294 1.419 . . . 1.0 . . . . . . . . . . . . A . 2 ASN O . . . . . . . . . rr_2dx3 1 . 8 . 2105 . 1 1 2 ASN OD1 O -7.787 -7.428 3.747 . . . 1.0 . . . . . . . . . . . . A . 2 ASN OD1 . . . . . . . . . rr_2dx3 1 . 8 . 2106 . 1 1 3 TYR C C -3.164 -6.005 -1.608 . . . 1.0 . . . . . . . . . . . . A . 3 TYR C . . . . . . . . . rr_2dx3 1 . 8 . 2107 . 1 1 3 TYR CA C -3.075 -7.487 -1.238 . . . 1.0 . . . . . . . . . . . . A . 3 TYR CA . . . . . . . . . rr_2dx3 1 . 8 . 2108 . 1 1 3 TYR CB C -3.156 -8.325 -2.516 . . . 1.0 . . . . . . . . . . . . A . 3 TYR CB . . . . . . . . . rr_2dx3 1 . 8 . 2109 . 1 1 3 TYR CD1 C -1.838 -6.951 -4.169 . . . 1.0 . . . . . . . . . . . . A . 3 TYR CD1 . . . . . . . . . rr_2dx3 1 . 8 . 2110 . 1 1 3 TYR CD2 C -1.035 -9.133 -3.614 . . . 1.0 . . . . . . . . . . . . A . 3 TYR CD2 . . . . . . . . . rr_2dx3 1 . 8 . 2111 . 1 1 3 TYR CE1 C -0.723 -6.768 -5.062 . . . 1.0 . . . . . . . . . . . . A . 3 TYR CE1 . . . . . . . . . rr_2dx3 1 . 8 . 2112 . 1 1 3 TYR CE2 C 0.080 -8.950 -4.506 . . . 1.0 . . . . . . . . . . . . A . 3 TYR CE2 . . . . . . . . . rr_2dx3 1 . 8 . 2113 . 1 1 3 TYR CG C -1.971 -8.130 -3.464 . . . 1.0 . . . . . . . . . . . . A . 3 TYR CG . . . . . . . . . rr_2dx3 1 . 8 . 2114 . 1 1 3 TYR CZ C 0.181 -7.776 -5.186 . . . 1.0 . . . . . . . . . . . . A . 3 TYR CZ . . . . . . . . . rr_2dx3 1 . 8 . 2115 . 1 1 3 TYR H H -5.093 -7.864 -0.887 . . . 1.0 . . . . . . . . . . . . A . 3 TYR H . . . . . . . . . rr_2dx3 1 . 8 . 2116 . 1 1 3 TYR HA H -2.167 -7.656 -0.659 . . . 1.0 . . . . . . . . . . . . A . 3 TYR HA . . . . . . . . . rr_2dx3 1 . 8 . 2117 . 1 1 3 TYR HB2 H -3.221 -9.379 -2.244 . . . 1.0 . . . . . . . . . . . . A . 3 TYR HB2 . . . . . . . . . rr_2dx3 1 . 8 . 2118 . 1 1 3 TYR HB3 H -4.076 -8.075 -3.044 . . . 1.0 . . . . . . . . . . . . A . 3 TYR HB3 . . . . . . . . . rr_2dx3 1 . 8 . 2119 . 1 1 3 TYR HD1 H -2.577 -6.159 -4.051 . . . 1.0 . . . . . . . . . . . . A . 3 TYR HD1 . . . . . . . . . rr_2dx3 1 . 8 . 2120 . 1 1 3 TYR HD2 H -1.140 -10.064 -3.057 . . . 1.0 . . . . . . . . . . . . A . 3 TYR HD2 . . . . . . . . . rr_2dx3 1 . 8 . 2121 . 1 1 3 TYR HE1 H -0.606 -5.842 -5.625 . . . 1.0 . . . . . . . . . . . . A . 3 TYR HE1 . . . . . . . . . rr_2dx3 1 . 8 . 2122 . 1 1 3 TYR HE2 H 0.827 -9.734 -4.634 . . . 1.0 . . . . . . . . . . . . A . 3 TYR HE2 . . . . . . . . . rr_2dx3 1 . 8 . 2123 . 1 1 3 TYR HH H 1.013 -7.968 -6.933 . . . 1.0 . . . . . . . . . . . . A . 3 TYR HH . . . . . . . . . rr_2dx3 1 . 8 . 2124 . 1 1 3 TYR N N -4.208 -7.890 -0.423 . . . 1.0 . . . . . . . . . . . . A . 3 TYR N . . . . . . . . . rr_2dx3 1 . 8 . 2125 . 1 1 3 TYR O O -2.149 -5.369 -1.887 . . . 1.0 . . . . . . . . . . . . A . 3 TYR O . . . . . . . . . rr_2dx3 1 . 8 . 2126 . 1 1 3 TYR OH O 1.235 -7.603 -6.029 . . . 1.0 . . . . . . . . . . . . A . 3 TYR OH . . . . . . . . . rr_2dx3 1 . 8 . 2127 . 1 1 4 TRP C C -4.534 -3.290 -0.636 . . . 1.0 . . . . . . . . . . . . A . 4 TRP C . . . . . . . . . rr_2dx3 1 . 8 . 2128 . 1 1 4 TRP CA C -4.623 -4.103 -1.928 . . . 1.0 . . . . . . . . . . . . A . 4 TRP CA . . . . . . . . . rr_2dx3 1 . 8 . 2129 . 1 1 4 TRP CB C -5.959 -3.929 -2.653 . . . 1.0 . . . . . . . . . . . . A . 4 TRP CB . . . . . . . . . rr_2dx3 1 . 8 . 2130 . 1 1 4 TRP CD1 C -6.835 -5.452 -4.544 . . . 1.0 . . . . . . . . . . . . A . 4 TRP CD1 . . . . . . . . . rr_2dx3 1 . 8 . 2131 . 1 1 4 TRP CD2 C -5.091 -4.225 -5.146 . . . 1.0 . . . . . . . . . . . . A . 4 TRP CD2 . . . . . . . . . rr_2dx3 1 . 8 . 2132 . 1 1 4 TRP CE2 C -5.457 -4.986 -6.238 . . . 1.0 . . . . . . . . . . . . A . 4 TRP CE2 . . . . . . . . . rr_2dx3 1 . 8 . 2133 . 1 1 4 TRP CE3 C -4.007 -3.332 -5.206 . . . 1.0 . . . . . . . . . . . . A . 4 TRP CE3 . . . . . . . . . rr_2dx3 1 . 8 . 2134 . 1 1 4 TRP CG C -5.988 -4.534 -4.058 . . . 1.0 . . . . . . . . . . . . A . 4 TRP CG . . . . . . . . . rr_2dx3 1 . 8 . 2135 . 1 1 4 TRP CH2 C -3.708 -4.048 -7.551 . . . 1.0 . . . . . . . . . . . . A . 4 TRP CH2 . . . . . . . . . rr_2dx3 1 . 8 . 2136 . 1 1 4 TRP CZ2 C -4.792 -4.931 -7.468 . . . 1.0 . . . . . . . . . . . . A . 4 TRP CZ2 . . . . . . . . . rr_2dx3 1 . 8 . 2137 . 1 1 4 TRP CZ3 C -3.352 -3.289 -6.443 . . . 1.0 . . . . . . . . . . . . A . 4 TRP CZ3 . . . . . . . . . rr_2dx3 1 . 8 . 2138 . 1 1 4 TRP H H -5.208 -6.023 -1.369 . . . 1.0 . . . . . . . . . . . . A . 4 TRP H . . . . . . . . . rr_2dx3 1 . 8 . 2139 . 1 1 4 TRP HA H -3.842 -3.789 -2.621 . . . 1.0 . . . . . . . . . . . . A . 4 TRP HA . . . . . . . . . rr_2dx3 1 . 8 . 2140 . 1 1 4 TRP HB2 H -6.747 -4.386 -2.056 . . . 1.0 . . . . . . . . . . . . A . 4 TRP HB2 . . . . . . . . . rr_2dx3 1 . 8 . 2141 . 1 1 4 TRP HB3 H -6.187 -2.865 -2.722 . . . 1.0 . . . . . . . . . . . . A . 4 TRP HB3 . . . . . . . . . rr_2dx3 1 . 8 . 2142 . 1 1 4 TRP HD1 H -7.646 -5.902 -3.972 . . . 1.0 . . . . . . . . . . . . A . 4 TRP HD1 . . . . . . . . . rr_2dx3 1 . 8 . 2143 . 1 1 4 TRP HE1 H -7.086 -6.468 -6.488 . . . 1.0 . . . . . . . . . . . . A . 4 TRP HE1 . . . . . . . . . rr_2dx3 1 . 8 . 2144 . 1 1 4 TRP HE3 H -3.699 -2.720 -4.358 . . . 1.0 . . . . . . . . . . . . A . 4 TRP HE3 . . . . . . . . . rr_2dx3 1 . 8 . 2145 . 1 1 4 TRP HH2 H -3.147 -3.956 -8.481 . . . 1.0 . . . . . . . . . . . . A . 4 TRP HH2 . . . . . . . . . rr_2dx3 1 . 8 . 2146 . 1 1 4 TRP HZ2 H -5.100 -5.543 -8.316 . . . 1.0 . . . . . . . . . . . . A . 4 TRP HZ2 . . . . . . . . . rr_2dx3 1 . 8 . 2147 . 1 1 4 TRP HZ3 H -2.504 -2.612 -6.544 . . . 1.0 . . . . . . . . . . . . A . 4 TRP HZ3 . . . . . . . . . rr_2dx3 1 . 8 . 2148 . 1 1 4 TRP N N -4.388 -5.498 -1.598 . . . 1.0 . . . . . . . . . . . . A . 4 TRP N . . . . . . . . . rr_2dx3 1 . 8 . 2149 . 1 1 4 TRP NE1 N -6.551 -5.756 -5.860 . . . 1.0 . . . . . . . . . . . . A . 4 TRP NE1 . . . . . . . . . rr_2dx3 1 . 8 . 2150 . 1 1 4 TRP O O -4.005 -2.179 -0.632 . . . 1.0 . . . . . . . . . . . . A . 4 TRP O . . . . . . . . . rr_2dx3 1 . 8 . 2151 . 1 1 5 LEU C C -3.782 -3.623 2.487 . . . 1.0 . . . . . . . . . . . . A . 5 LEU C . . . . . . . . . rr_2dx3 1 . 8 . 2152 . 1 1 5 LEU CA C -5.046 -3.217 1.727 . . . 1.0 . . . . . . . . . . . . A . 5 LEU CA . . . . . . . . . rr_2dx3 1 . 8 . 2153 . 1 1 5 LEU CB C -6.341 -3.507 2.489 . . . 1.0 . . . . . . . . . . . . A . 5 LEU CB . . . . . . . . . rr_2dx3 1 . 8 . 2154 . 1 1 5 LEU CD1 C -7.408 -2.226 0.596 . . . 1.0 . . . . . . . . . . . . A . 5 LEU CD1 . . . . . . . . . rr_2dx3 1 . 8 . 2155 . 1 1 5 LEU CD2 C -8.282 -4.520 1.237 . . . 1.0 . . . . . . . . . . . . A . 5 LEU CD2 . . . . . . . . . rr_2dx3 1 . 8 . 2156 . 1 1 5 LEU CG C -7.641 -3.222 1.734 . . . 1.0 . . . . . . . . . . . . A . 5 LEU CG . . . . . . . . . rr_2dx3 1 . 8 . 2157 . 1 1 5 LEU H H -5.488 -4.777 0.420 . . . 1.0 . . . . . . . . . . . . A . 5 LEU H . . . . . . . . . rr_2dx3 1 . 8 . 2158 . 1 1 5 LEU HA H -5.011 -2.142 1.548 . . . 1.0 . . . . . . . . . . . . A . 5 LEU HA . . . . . . . . . rr_2dx3 1 . 8 . 2159 . 1 1 5 LEU HB2 H -6.338 -4.557 2.784 . . . 1.0 . . . . . . . . . . . . A . 5 LEU HB2 . . . . . . . . . rr_2dx3 1 . 8 . 2160 . 1 1 5 LEU HB3 H -6.340 -2.918 3.406 . . . 1.0 . . . . . . . . . . . . A . 5 LEU HB3 . . . . . . . . . rr_2dx3 1 . 8 . 2161 . 1 1 5 LEU HD11 H -8.364 -1.816 0.271 . . . 1.0 . . . . . . . . . . . . A . 5 LEU HD11 . . . . . . . . . rr_2dx3 1 . 8 . 2162 . 1 1 5 LEU HD12 H -6.765 -1.419 0.947 . . . 1.0 . . . . . . . . . . . . A . 5 LEU HD12 . . . . . . . . . rr_2dx3 1 . 8 . 2163 . 1 1 5 LEU HD13 H -6.928 -2.736 -0.240 . . . 1.0 . . . . . . . . . . . . A . 5 LEU HD13 . . . . . . . . . rr_2dx3 1 . 8 . 2164 . 1 1 5 LEU HD21 H -8.005 -4.687 0.196 . . . 1.0 . . . . . . . . . . . . A . 5 LEU HD21 . . . . . . . . . rr_2dx3 1 . 8 . 2165 . 1 1 5 LEU HD22 H -7.932 -5.354 1.845 . . . 1.0 . . . . . . . . . . . . A . 5 LEU HD22 . . . . . . . . . rr_2dx3 1 . 8 . 2166 . 1 1 5 LEU HD23 H -9.367 -4.443 1.317 . . . 1.0 . . . . . . . . . . . . A . 5 LEU HD23 . . . . . . . . . rr_2dx3 1 . 8 . 2167 . 1 1 5 LEU HG H -8.344 -2.761 2.427 . . . 1.0 . . . . . . . . . . . . A . 5 LEU HG . . . . . . . . . rr_2dx3 1 . 8 . 2168 . 1 1 5 LEU N N -5.059 -3.874 0.431 . . . 1.0 . . . . . . . . . . . . A . 5 LEU N . . . . . . . . . rr_2dx3 1 . 8 . 2169 . 1 1 5 LEU O O -3.765 -3.623 3.717 . . . 1.0 . . . . . . . . . . . . A . 5 LEU O . . . . . . . . . rr_2dx3 1 . 8 . 2170 . 1 1 6 ALA C C -0.338 -3.824 1.458 . . . 1.0 . . . . . . . . . . . . A . 6 ALA C . . . . . . . . . rr_2dx3 1 . 8 . 2171 . 1 1 6 ALA CA C -1.487 -4.367 2.309 . . . 1.0 . . . . . . . . . . . . A . 6 ALA CA . . . . . . . . . rr_2dx3 1 . 8 . 2172 . 1 1 6 ALA CB C -1.450 -5.892 2.433 . . . 1.0 . . . . . . . . . . . . A . 6 ALA CB . . . . . . . . . rr_2dx3 1 . 8 . 2173 . 1 1 6 ALA H H -2.775 -3.958 0.723 . . . 1.0 . . . . . . . . . . . . A . 6 ALA H . . . . . . . . . rr_2dx3 1 . 8 . 2174 . 1 1 6 ALA HA H -1.428 -3.932 3.306 . . . 1.0 . . . . . . . . . . . . A . 6 ALA HA . . . . . . . . . rr_2dx3 1 . 8 . 2175 . 1 1 6 ALA HB1 H -2.386 -6.244 2.865 . . . 1.0 . . . . . . . . . . . . A . 6 ALA HB1 . . . . . . . . . rr_2dx3 1 . 8 . 2176 . 1 1 6 ALA HB2 H -1.315 -6.334 1.446 . . . 1.0 . . . . . . . . . . . . A . 6 ALA HB2 . . . . . . . . . rr_2dx3 1 . 8 . 2177 . 1 1 6 ALA HB3 H -0.620 -6.183 3.078 . . . 1.0 . . . . . . . . . . . . A . 6 ALA HB3 . . . . . . . . . rr_2dx3 1 . 8 . 2178 . 1 1 6 ALA N N -2.753 -3.960 1.723 . . . 1.0 . . . . . . . . . . . . A . 6 ALA N . . . . . . . . . rr_2dx3 1 . 8 . 2179 . 1 1 6 ALA O O 0.620 -3.262 1.987 . . . 1.0 . . . . . . . . . . . . A . 6 ALA O . . . . . . . . . rr_2dx3 1 . 8 . 2180 . 1 1 7 HIS C C 0.192 -2.136 -1.259 . . . 1.0 . . . . . . . . . . . . A . 7 HIS C . . . . . . . . . rr_2dx3 1 . 8 . 2181 . 1 1 7 HIS CA C 0.545 -3.544 -0.777 . . . 1.0 . . . . . . . . . . . . A . 7 HIS CA . . . . . . . . . rr_2dx3 1 . 8 . 2182 . 1 1 7 HIS CB C 0.724 -4.537 -1.927 . . . 1.0 . . . . . . . . . . . . A . 7 HIS CB . . . . . . . . . rr_2dx3 1 . 8 . 2183 . 1 1 7 HIS CD2 C 1.185 -6.472 -0.231 . . . 1.0 . . . . . . . . . . . . A . 7 HIS CD2 . . . . . . . . . rr_2dx3 1 . 8 . 2184 . 1 1 7 HIS CE1 C 1.630 -8.054 -1.676 . . . 1.0 . . . . . . . . . . . . A . 7 HIS CE1 . . . . . . . . . rr_2dx3 1 . 8 . 2185 . 1 1 7 HIS CG C 1.076 -5.936 -1.481 . . . 1.0 . . . . . . . . . . . . A . 7 HIS CG . . . . . . . . . rr_2dx3 1 . 8 . 2186 . 1 1 7 HIS H H -1.253 -4.467 -0.270 . . . 1.0 . . . . . . . . . . . . A . 7 HIS H . . . . . . . . . rr_2dx3 1 . 8 . 2187 . 1 1 7 HIS HA H 1.482 -3.505 -0.222 . . . 1.0 . . . . . . . . . . . . A . 7 HIS HA . . . . . . . . . rr_2dx3 1 . 8 . 2188 . 1 1 7 HIS HB2 H -0.196 -4.573 -2.509 . . . 1.0 . . . . . . . . . . . . A . 7 HIS HB2 . . . . . . . . . rr_2dx3 1 . 8 . 2189 . 1 1 7 HIS HB3 H 1.507 -4.171 -2.591 . . . 1.0 . . . . . . . . . . . . A . 7 HIS HB3 . . . . . . . . . rr_2dx3 1 . 8 . 2190 . 1 1 7 HIS HD1 H 1.368 -6.880 -3.367 . . . 1.0 . . . . . . . . . . . . A . 7 HIS HD1 . . . . . . . . . rr_2dx3 1 . 8 . 2191 . 1 1 7 HIS HD2 H 1.025 -5.940 0.707 . . . 1.0 . . . . . . . . . . . . A . 7 HIS HD2 . . . . . . . . . rr_2dx3 1 . 8 . 2192 . 1 1 7 HIS HE1 H 1.893 -9.026 -2.092 . . . 1.0 . . . . . . . . . . . . A . 7 HIS HE1 . . . . . . . . . rr_2dx3 1 . 8 . 2193 . 1 1 7 HIS HE2 H 1.720 -8.373 0.406 . . . 1.0 . . . . . . . . . . . . A . 7 HIS HE2 . . . . . . . . . rr_2dx3 1 . 8 . 2194 . 1 1 7 HIS N N -0.471 -4.009 0.152 . . . 1.0 . . . . . . . . . . . . A . 7 HIS N . . . . . . . . . rr_2dx3 1 . 8 . 2195 . 1 1 7 HIS ND1 N 1.363 -6.957 -2.370 . . . 1.0 . . . . . . . . . . . . A . 7 HIS ND1 . . . . . . . . . rr_2dx3 1 . 8 . 2196 . 1 1 7 HIS NE2 N 1.519 -7.751 -0.351 . . . 1.0 . . . . . . . . . . . . A . 7 HIS NE2 . . . . . . . . . rr_2dx3 1 . 8 . 2197 . 1 1 7 HIS O O 1.078 -1.308 -1.470 . . . 1.0 . . . . . . . . . . . . A . 7 HIS O . . . . . . . . . rr_2dx3 1 . 8 . 2198 . 1 1 8 ALA C C -1.627 0.354 -0.690 . . . 1.0 . . . . . . . . . . . . A . 8 ALA C . . . . . . . . . rr_2dx3 1 . 8 . 2199 . 1 1 8 ALA CA C -1.583 -0.613 -1.875 . . . 1.0 . . . . . . . . . . . . A . 8 ALA CA . . . . . . . . . rr_2dx3 1 . 8 . 2200 . 1 1 8 ALA CB C -2.950 -0.781 -2.542 . . . 1.0 . . . . . . . . . . . . A . 8 ALA CB . . . . . . . . . rr_2dx3 1 . 8 . 2201 . 1 1 8 ALA H H -1.816 -2.585 -1.248 . . . 1.0 . . . . . . . . . . . . A . 8 ALA H . . . . . . . . . rr_2dx3 1 . 8 . 2202 . 1 1 8 ALA HA H -0.876 -0.237 -2.614 . . . 1.0 . . . . . . . . . . . . A . 8 ALA HA . . . . . . . . . rr_2dx3 1 . 8 . 2203 . 1 1 8 ALA HB1 H -3.178 -1.842 -2.642 . . . 1.0 . . . . . . . . . . . . A . 8 ALA HB1 . . . . . . . . . rr_2dx3 1 . 8 . 2204 . 1 1 8 ALA HB2 H -3.714 -0.301 -1.930 . . . 1.0 . . . . . . . . . . . . A . 8 ALA HB2 . . . . . . . . . rr_2dx3 1 . 8 . 2205 . 1 1 8 ALA HB3 H -2.932 -0.319 -3.529 . . . 1.0 . . . . . . . . . . . . A . 8 ALA HB3 . . . . . . . . . rr_2dx3 1 . 8 . 2206 . 1 1 8 ALA N N -1.103 -1.907 -1.421 . . . 1.0 . . . . . . . . . . . . A . 8 ALA N . . . . . . . . . rr_2dx3 1 . 8 . 2207 . 1 1 8 ALA O O -1.866 1.548 -0.867 . . . 1.0 . . . . . . . . . . . . A . 8 ALA O . . . . . . . . . rr_2dx3 1 . 8 . 2208 . 1 1 9 LYS C C 0.036 0.930 2.107 . . . 1.0 . . . . . . . . . . . . A . 9 LYS C . . . . . . . . . rr_2dx3 1 . 8 . 2209 . 1 1 9 LYS CA C -1.404 0.602 1.705 . . . 1.0 . . . . . . . . . . . . A . 9 LYS CA . . . . . . . . . rr_2dx3 1 . 8 . 2210 . 1 1 9 LYS CB C -2.203 -0.102 2.804 . . . 1.0 . . . . . . . . . . . . A . 9 LYS CB . . . . . . . . . rr_2dx3 1 . 8 . 2211 . 1 1 9 LYS CD C -0.368 -0.719 4.420 . . . 1.0 . . . . . . . . . . . . A . 9 LYS CD . . . . . . . . . rr_2dx3 1 . 8 . 2212 . 1 1 9 LYS CE C -0.703 -1.170 5.842 . . . 1.0 . . . . . . . . . . . . A . 9 LYS CE . . . . . . . . . rr_2dx3 1 . 8 . 2213 . 1 1 9 LYS CG C -1.397 -1.248 3.419 . . . 1.0 . . . . . . . . . . . . A . 9 LYS CG . . . . . . . . . rr_2dx3 1 . 8 . 2214 . 1 1 9 LYS H H -1.200 -1.169 0.627 . . . 1.0 . . . . . . . . . . . . A . 9 LYS H . . . . . . . . . rr_2dx3 1 . 8 . 2215 . 1 1 9 LYS HA H -1.920 1.534 1.478 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HA . . . . . . . . . rr_2dx3 1 . 8 . 2216 . 1 1 9 LYS HB2 H -2.473 0.615 3.579 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HB2 . . . . . . . . . rr_2dx3 1 . 8 . 2217 . 1 1 9 LYS HB3 H -3.134 -0.489 2.390 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HB3 . . . . . . . . . rr_2dx3 1 . 8 . 2218 . 1 1 9 LYS HD2 H 0.626 -1.074 4.146 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HD2 . . . . . . . . . rr_2dx3 1 . 8 . 2219 . 1 1 9 LYS HD3 H -0.340 0.370 4.377 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HD3 . . . . . . . . . rr_2dx3 1 . 8 . 2220 . 1 1 9 LYS HE2 H -1.156 -0.347 6.394 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HE2 . . . . . . . . . rr_2dx3 1 . 8 . 2221 . 1 1 9 LYS HE3 H -1.438 -1.975 5.811 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HE3 . . . . . . . . . rr_2dx3 1 . 8 . 2222 . 1 1 9 LYS HG2 H -2.072 -1.944 3.920 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HG2 . . . . . . . . . rr_2dx3 1 . 8 . 2223 . 1 1 9 LYS HG3 H -0.891 -1.806 2.631 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HG3 . . . . . . . . . rr_2dx3 1 . 8 . 2224 . 1 1 9 LYS HZ1 H 1.164 -2.001 5.874 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HZ1 . . . . . . . . . rr_2dx3 1 . 8 . 2225 . 1 1 9 LYS HZ2 H 0.937 -0.861 7.022 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HZ2 . . . . . . . . . rr_2dx3 1 . 8 . 2226 . 1 1 9 LYS HZ3 H 0.275 -2.343 7.201 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HZ3 . . . . . . . . . rr_2dx3 1 . 8 . 2227 . 1 1 9 LYS N N -1.394 -0.197 0.492 . . . 1.0 . . . . . . . . . . . . A . 9 LYS N . . . . . . . . . rr_2dx3 1 . 8 . 2228 . 1 1 9 LYS NZ N 0.517 -1.631 6.541 . . . 1.0 . . . . . . . . . . . . A . 9 LYS NZ . . . . . . . . . rr_2dx3 1 . 8 . 2229 . 1 1 9 LYS O O 0.350 2.077 2.420 . . . 1.0 . . . . . . . . . . . . A . 9 LYS O . . . . . . . . . rr_2dx3 1 . 8 . 2230 . 1 1 10 ALA C C 3.027 0.670 1.258 . . . 1.0 . . . . . . . . . . . . A . 10 ALA C . . . . . . . . . rr_2dx3 1 . 8 . 2231 . 1 1 10 ALA CA C 2.270 0.067 2.443 . . . 1.0 . . . . . . . . . . . . A . 10 ALA CA . . . . . . . . . rr_2dx3 1 . 8 . 2232 . 1 1 10 ALA CB C 2.848 -1.281 2.878 . . . 1.0 . . . . . . . . . . . . A . 10 ALA CB . . . . . . . . . rr_2dx3 1 . 8 . 2233 . 1 1 10 ALA H H 0.607 -1.028 1.829 . . . 1.0 . . . . . . . . . . . . A . 10 ALA H . . . . . . . . . rr_2dx3 1 . 8 . 2234 . 1 1 10 ALA HA H 2.318 0.758 3.284 . . . 1.0 . . . . . . . . . . . . A . 10 ALA HA . . . . . . . . . rr_2dx3 1 . 8 . 2235 . 1 1 10 ALA HB1 H 3.489 -1.674 2.089 . . . 1.0 . . . . . . . . . . . . A . 10 ALA HB1 . . . . . . . . . rr_2dx3 1 . 8 . 2236 . 1 1 10 ALA HB2 H 3.432 -1.149 3.789 . . . 1.0 . . . . . . . . . . . . A . 10 ALA HB2 . . . . . . . . . rr_2dx3 1 . 8 . 2237 . 1 1 10 ALA HB3 H 2.034 -1.981 3.068 . . . 1.0 . . . . . . . . . . . . A . 10 ALA HB3 . . . . . . . . . rr_2dx3 1 . 8 . 2238 . 1 1 10 ALA N N 0.871 -0.098 2.085 . . . 1.0 . . . . . . . . . . . . A . 10 ALA N . . . . . . . . . rr_2dx3 1 . 8 . 2239 . 1 1 10 ALA O O 3.927 1.488 1.444 . . . 1.0 . . . . . . . . . . . . A . 10 ALA O . . . . . . . . . rr_2dx3 1 . 8 . 2240 . 1 1 11 GLY C C 2.631 2.047 -1.605 . . . 1.0 . . . . . . . . . . . . A . 11 GLY C . . . . . . . . . rr_2dx3 1 . 8 . 2241 . 1 1 11 GLY CA C 3.265 0.732 -1.148 . . . 1.0 . . . . . . . . . . . . A . 11 GLY CA . . . . . . . . . rr_2dx3 1 . 8 . 2242 . 1 1 11 GLY H H 1.902 -0.421 -0.076 . . . 1.0 . . . . . . . . . . . . A . 11 GLY H . . . . . . . . . rr_2dx3 1 . 8 . 2243 . 1 1 11 GLY HA2 H 4.331 0.879 -0.975 . . . 1.0 . . . . . . . . . . . . A . 11 GLY HA2 . . . . . . . . . rr_2dx3 1 . 8 . 2244 . 1 1 11 GLY HA3 H 3.171 -0.015 -1.936 . . . 1.0 . . . . . . . . . . . . A . 11 GLY HA3 . . . . . . . . . rr_2dx3 1 . 8 . 2245 . 1 1 11 GLY N N 2.635 0.244 0.067 . . . 1.0 . . . . . . . . . . . . A . 11 GLY N . . . . . . . . . rr_2dx3 1 . 8 . 2246 . 1 1 11 GLY O O 2.831 2.476 -2.740 . . . 1.0 . . . . . . . . . . . . A . 11 GLY O . . . . . . . . . rr_2dx3 1 . 8 . 2247 . 1 1 12 TYR C C 2.116 5.098 -0.658 . . . 1.0 . . . . . . . . . . . . A . 12 TYR C . . . . . . . . . rr_2dx3 1 . 8 . 2248 . 1 1 12 TYR CA C 1.213 3.908 -0.992 . . . 1.0 . . . . . . . . . . . . A . 12 TYR CA . . . . . . . . . rr_2dx3 1 . 8 . 2249 . 1 1 12 TYR CB C -0.023 3.953 -0.092 . . . 1.0 . . . . . . . . . . . . A . 12 TYR CB . . . . . . . . . rr_2dx3 1 . 8 . 2250 . 1 1 12 TYR CD1 C 1.467 4.329 1.908 . . . 1.0 . . . . . . . . . . . . A . 12 TYR CD1 . . . . . . . . . rr_2dx3 1 . 8 . 2251 . 1 1 12 TYR CD2 C -0.742 5.242 1.953 . . . 1.0 . . . . . . . . . . . . A . 12 TYR CD2 . . . . . . . . . rr_2dx3 1 . 8 . 2252 . 1 1 12 TYR CE1 C 1.717 4.869 3.219 . . . 1.0 . . . . . . . . . . . . A . 12 TYR CE1 . . . . . . . . . rr_2dx3 1 . 8 . 2253 . 1 1 12 TYR CE2 C -0.492 5.782 3.264 . . . 1.0 . . . . . . . . . . . . A . 12 TYR CE2 . . . . . . . . . rr_2dx3 1 . 8 . 2254 . 1 1 12 TYR CG C 0.243 4.527 1.302 . . . 1.0 . . . . . . . . . . . . A . 12 TYR CG . . . . . . . . . rr_2dx3 1 . 8 . 2255 . 1 1 12 TYR CZ C 0.725 5.568 3.833 . . . 1.0 . . . . . . . . . . . . A . 12 TYR CZ . . . . . . . . . rr_2dx3 1 . 8 . 2256 . 1 1 12 TYR H H 1.721 2.296 0.225 . . . 1.0 . . . . . . . . . . . . A . 12 TYR H . . . . . . . . . rr_2dx3 1 . 8 . 2257 . 1 1 12 TYR HA H 0.982 3.925 -2.057 . . . 1.0 . . . . . . . . . . . . A . 12 TYR HA . . . . . . . . . rr_2dx3 1 . 8 . 2258 . 1 1 12 TYR HB2 H -0.793 4.552 -0.579 . . . 1.0 . . . . . . . . . . . . A . 12 TYR HB2 . . . . . . . . . rr_2dx3 1 . 8 . 2259 . 1 1 12 TYR HB3 H -0.421 2.944 0.012 . . . 1.0 . . . . . . . . . . . . A . 12 TYR HB3 . . . . . . . . . rr_2dx3 1 . 8 . 2260 . 1 1 12 TYR HD1 H 2.245 3.764 1.393 . . . 1.0 . . . . . . . . . . . . A . 12 TYR HD1 . . . . . . . . . rr_2dx3 1 . 8 . 2261 . 1 1 12 TYR HD2 H -1.709 5.398 1.474 . . . 1.0 . . . . . . . . . . . . A . 12 TYR HD2 . . . . . . . . . rr_2dx3 1 . 8 . 2262 . 1 1 12 TYR HE1 H 2.680 4.720 3.709 . . . 1.0 . . . . . . . . . . . . A . 12 TYR HE1 . . . . . . . . . rr_2dx3 1 . 8 . 2263 . 1 1 12 TYR HE2 H -1.260 6.348 3.790 . . . 1.0 . . . . . . . . . . . . A . 12 TYR HE2 . . . . . . . . . rr_2dx3 1 . 8 . 2264 . 1 1 12 TYR HH H 1.350 6.996 4.995 . . . 1.0 . . . . . . . . . . . . A . 12 TYR HH . . . . . . . . . rr_2dx3 1 . 8 . 2265 . 1 1 12 TYR N N 1.878 2.651 -0.697 . . . 1.0 . . . . . . . . . . . . A . 12 TYR N . . . . . . . . . rr_2dx3 1 . 8 . 2266 . 1 1 12 TYR O O 1.630 6.197 -0.397 . . . 1.0 . . . . . . . . . . . . A . 12 TYR O . . . . . . . . . rr_2dx3 1 . 8 . 2267 . 1 1 12 TYR OH O 0.962 6.078 5.071 . . . 1.0 . . . . . . . . . . . . A . 12 TYR OH . . . . . . . . . rr_2dx3 1 . 8 . 2268 . 1 1 13 ILE C C 4.788 6.580 -1.679 . . . 1.0 . . . . . . . . . . . . A . 13 ILE C . . . . . . . . . rr_2dx3 1 . 8 . 2269 . 1 1 13 ILE CA C 4.390 5.873 -0.382 . . . 1.0 . . . . . . . . . . . . A . 13 ILE CA . . . . . . . . . rr_2dx3 1 . 8 . 2270 . 1 1 13 ILE CB C 5.576 5.287 0.388 . . . 1.0 . . . . . . . . . . . . A . 13 ILE CB . . . . . . . . . rr_2dx3 1 . 8 . 2271 . 1 1 13 ILE CD1 C 6.044 3.759 -1.562 . . . 1.0 . . . . . . . . . . . . A . 13 ILE CD1 . . . . . . . . . rr_2dx3 1 . 8 . 2272 . 1 1 13 ILE CG1 C 6.644 4.757 -0.570 . . . 1.0 . . . . . . . . . . . . A . 13 ILE CG1 . . . . . . . . . rr_2dx3 1 . 8 . 2273 . 1 1 13 ILE CG2 C 5.112 4.217 1.378 . . . 1.0 . . . . . . . . . . . . A . 13 ILE CG2 . . . . . . . . . rr_2dx3 1 . 8 . 2274 . 1 1 13 ILE H H 3.803 3.941 -0.893 . . . 1.0 . . . . . . . . . . . . A . 13 ILE H . . . . . . . . . rr_2dx3 1 . 8 . 2275 . 1 1 13 ILE HA H 3.907 6.598 0.273 . . . 1.0 . . . . . . . . . . . . A . 13 ILE HA . . . . . . . . . rr_2dx3 1 . 8 . 2276 . 1 1 13 ILE HB H 6.034 6.087 0.970 . . . 1.0 . . . . . . . . . . . . A . 13 ILE HB . . . . . . . . . rr_2dx3 1 . 8 . 2277 . 1 1 13 ILE HD11 H 5.615 2.918 -1.017 . . . 1.0 . . . . . . . . . . . . A . 13 ILE HD11 . . . . . . . . . rr_2dx3 1 . 8 . 2278 . 1 1 13 ILE HD12 H 5.264 4.249 -2.145 . . . 1.0 . . . . . . . . . . . . A . 13 ILE HD12 . . . . . . . . . rr_2dx3 1 . 8 . 2279 . 1 1 13 ILE HD13 H 6.825 3.397 -2.231 . . . 1.0 . . . . . . . . . . . . A . 13 ILE HD13 . . . . . . . . . rr_2dx3 1 . 8 . 2280 . 1 1 13 ILE HG12 H 7.095 5.588 -1.113 . . . 1.0 . . . . . . . . . . . . A . 13 ILE HG12 . . . . . . . . . rr_2dx3 1 . 8 . 2281 . 1 1 13 ILE HG13 H 7.441 4.277 -0.002 . . . 1.0 . . . . . . . . . . . . A . 13 ILE HG13 . . . . . . . . . rr_2dx3 1 . 8 . 2282 . 1 1 13 ILE HG21 H 5.780 4.205 2.239 . . . 1.0 . . . . . . . . . . . . A . 13 ILE HG21 . . . . . . . . . rr_2dx3 1 . 8 . 2283 . 1 1 13 ILE HG22 H 4.098 4.443 1.709 . . . 1.0 . . . . . . . . . . . . A . 13 ILE HG22 . . . . . . . . . rr_2dx3 1 . 8 . 2284 . 1 1 13 ILE HG23 H 5.127 3.242 0.892 . . . 1.0 . . . . . . . . . . . . A . 13 ILE HG23 . . . . . . . . . rr_2dx3 1 . 8 . 2285 . 1 1 13 ILE N N 3.415 4.838 -0.679 . . . 1.0 . . . . . . . . . . . . A . 13 ILE N . . . . . . . . . rr_2dx3 1 . 8 . 2286 . 1 1 13 ILE O O 5.722 7.380 -1.692 . . . 1.0 . . . . . . . . . . . . A . 13 ILE O . . . . . . . . . rr_2dx3 1 . 8 . 2287 . 1 1 14 VAL C C 3.726 8.260 -4.081 . . . 1.0 . . . . . . . . . . . . A . 14 VAL C . . . . . . . . . rr_2dx3 1 . 8 . 2288 . 1 1 14 VAL CA C 4.325 6.853 -4.037 . . . 1.0 . . . . . . . . . . . . A . 14 VAL CA . . . . . . . . . rr_2dx3 1 . 8 . 2289 . 1 1 14 VAL CB C 3.796 5.943 -5.147 . . . 1.0 . . . . . . . . . . . . A . 14 VAL CB . . . . . . . . . rr_2dx3 1 . 8 . 2290 . 1 1 14 VAL CG1 C 3.908 6.622 -6.513 . . . 1.0 . . . . . . . . . . . . A . 14 VAL CG1 . . . . . . . . . rr_2dx3 1 . 8 . 2291 . 1 1 14 VAL CG2 C 4.520 4.595 -5.143 . . . 1.0 . . . . . . . . . . . . A . 14 VAL CG2 . . . . . . . . . rr_2dx3 1 . 8 . 2292 . 1 1 14 VAL H H 3.302 5.607 -2.718 . . . 1.0 . . . . . . . . . . . . A . 14 VAL H . . . . . . . . . rr_2dx3 1 . 8 . 2293 . 1 1 14 VAL HA H 5.407 6.928 -4.149 . . . 1.0 . . . . . . . . . . . . A . 14 VAL HA . . . . . . . . . rr_2dx3 1 . 8 . 2294 . 1 1 14 VAL HB H 2.740 5.756 -4.952 . . . 1.0 . . . . . . . . . . . . A . 14 VAL HB . . . . . . . . . rr_2dx3 1 . 8 . 2295 . 1 1 14 VAL HG11 H 3.416 7.594 -6.477 . . . 1.0 . . . . . . . . . . . . A . 14 VAL HG11 . . . . . . . . . rr_2dx3 1 . 8 . 2296 . 1 1 14 VAL HG12 H 4.960 6.757 -6.767 . . . 1.0 . . . . . . . . . . . . A . 14 VAL HG12 . . . . . . . . . rr_2dx3 1 . 8 . 2297 . 1 1 14 VAL HG13 H 3.429 6.000 -7.269 . . . 1.0 . . . . . . . . . . . . A . 14 VAL HG13 . . . . . . . . . rr_2dx3 1 . 8 . 2298 . 1 1 14 VAL HG21 H 4.660 4.255 -6.169 . . . 1.0 . . . . . . . . . . . . A . 14 VAL HG21 . . . . . . . . . rr_2dx3 1 . 8 . 2299 . 1 1 14 VAL HG22 H 5.492 4.707 -4.662 . . . 1.0 . . . . . . . . . . . . A . 14 VAL HG22 . . . . . . . . . rr_2dx3 1 . 8 . 2300 . 1 1 14 VAL HG23 H 3.926 3.864 -4.595 . . . 1.0 . . . . . . . . . . . . A . 14 VAL HG23 . . . . . . . . . rr_2dx3 1 . 8 . 2301 . 1 1 14 VAL N N 4.060 6.259 -2.738 . . . 1.0 . . . . . . . . . . . . A . 14 VAL N . . . . . . . . . rr_2dx3 1 . 8 . 2302 . 1 1 14 VAL O O 4.219 9.126 -4.803 . . . 1.0 . . . . . . . . . . . . A . 14 VAL O . . . . . . . . . rr_2dx3 1 . 8 . 2303 . 1 1 15 HIS C C 2.163 10.332 -1.843 . . . 1.0 . . . . . . . . . . . . A . 15 HIS C . . . . . . . . . rr_2dx3 1 . 8 . 2304 . 1 1 15 HIS CA C 2.001 9.732 -3.241 . . . 1.0 . . . . . . . . . . . . A . 15 HIS CA . . . . . . . . . rr_2dx3 1 . 8 . 2305 . 1 1 15 HIS CB C 0.536 9.601 -3.664 . . . 1.0 . . . . . . . . . . . . A . 15 HIS CB . . . . . . . . . rr_2dx3 1 . 8 . 2306 . 1 1 15 HIS CD2 C 0.099 7.095 -3.061 . . . 1.0 . . . . . . . . . . . . A . 15 HIS CD2 . . . . . . . . . rr_2dx3 1 . 8 . 2307 . 1 1 15 HIS CE1 C -0.737 6.455 -4.979 . . . 1.0 . . . . . . . . . . . . A . 15 HIS CE1 . . . . . . . . . rr_2dx3 1 . 8 . 2308 . 1 1 15 HIS CG C 0.088 8.177 -3.892 . . . 1.0 . . . . . . . . . . . . A . 15 HIS CG . . . . . . . . . rr_2dx3 1 . 8 . 2309 . 1 1 15 HIS H H 2.278 7.735 -2.716 . . . 1.0 . . . . . . . . . . . . A . 15 HIS H . . . . . . . . . rr_2dx3 1 . 8 . 2310 . 1 1 15 HIS HA H 2.499 10.378 -3.964 . . . 1.0 . . . . . . . . . . . . A . 15 HIS HA . . . . . . . . . rr_2dx3 1 . 8 . 2311 . 1 1 15 HIS HB2 H -0.094 10.051 -2.897 . . . 1.0 . . . . . . . . . . . . A . 15 HIS HB2 . . . . . . . . . rr_2dx3 1 . 8 . 2312 . 1 1 15 HIS HB3 H 0.381 10.171 -4.579 . . . 1.0 . . . . . . . . . . . . A . 15 HIS HB3 . . . . . . . . . rr_2dx3 1 . 8 . 2313 . 1 1 15 HIS HD1 H -0.582 8.303 -5.909 . . . 1.0 . . . . . . . . . . . . A . 15 HIS HD1 . . . . . . . . . rr_2dx3 1 . 8 . 2314 . 1 1 15 HIS HD2 H 0.456 7.086 -2.031 . . . 1.0 . . . . . . . . . . . . A . 15 HIS HD2 . . . . . . . . . rr_2dx3 1 . 8 . 2315 . 1 1 15 HIS HE1 H -1.170 5.825 -5.756 . . . 1.0 . . . . . . . . . . . . A . 15 HIS HE1 . . . . . . . . . rr_2dx3 1 . 8 . 2316 . 1 1 15 HIS HE2 H -0.459 5.121 -3.370 . . . 1.0 . . . . . . . . . . . . A . 15 HIS HE2 . . . . . . . . . rr_2dx3 1 . 8 . 2317 . 1 1 15 HIS N N 2.672 8.445 -3.300 . . . 1.0 . . . . . . . . . . . . A . 15 HIS N . . . . . . . . . rr_2dx3 1 . 8 . 2318 . 1 1 15 HIS ND1 N -0.443 7.742 -5.093 . . . 1.0 . . . . . . . . . . . . A . 15 HIS ND1 . . . . . . . . . rr_2dx3 1 . 8 . 2319 . 1 1 15 HIS NE2 N -0.401 6.056 -3.719 . . . 1.0 . . . . . . . . . . . . A . 15 HIS NE2 . . . . . . . . . rr_2dx3 1 . 8 . 2320 . 1 1 15 HIS O O 1.977 11.533 -1.653 . . . 1.0 . . . . . . . . . . . . A . 15 HIS O . . . . . . . . . rr_2dx3 1 . 8 . 2321 . 1 1 16 TRP C C 4.087 10.522 0.589 . . . 1.0 . . . . . . . . . . . . A . 16 TRP C . . . . . . . . . rr_2dx3 1 . 8 . 2322 . 1 1 16 TRP CA C 2.696 9.896 0.476 . . . 1.0 . . . . . . . . . . . . A . 16 TRP CA . . . . . . . . . rr_2dx3 1 . 8 . 2323 . 1 1 16 TRP CB C 2.482 8.734 1.448 . . . 1.0 . . . . . . . . . . . . A . 16 TRP CB . . . . . . . . . rr_2dx3 1 . 8 . 2324 . 1 1 16 TRP CD1 C 4.412 7.654 2.777 . . . 1.0 . . . . . . . . . . . . A . 16 TRP CD1 . . . . . . . . . rr_2dx3 1 . 8 . 2325 . 1 1 16 TRP CD2 C 3.794 9.625 3.578 . . . 1.0 . . . . . . . . . . . . A . 16 TRP CD2 . . . . . . . . . rr_2dx3 1 . 8 . 2326 . 1 1 16 TRP CE2 C 4.823 9.161 4.372 . . . 1.0 . . . . . . . . . . . . A . 16 TRP CE2 . . . . . . . . . rr_2dx3 1 . 8 . 2327 . 1 1 16 TRP CE3 C 3.177 10.863 3.828 . . . 1.0 . . . . . . . . . . . . A . 16 TRP CE3 . . . . . . . . . rr_2dx3 1 . 8 . 2328 . 1 1 16 TRP CG C 3.537 8.643 2.552 . . . 1.0 . . . . . . . . . . . . A . 16 TRP CG . . . . . . . . . rr_2dx3 1 . 8 . 2329 . 1 1 16 TRP CH2 C 4.727 11.109 5.736 . . . 1.0 . . . . . . . . . . . . A . 16 TRP CH2 . . . . . . . . . rr_2dx3 1 . 8 . 2330 . 1 1 16 TRP CZ2 C 5.326 9.872 5.468 . . . 1.0 . . . . . . . . . . . . A . 16 TRP CZ2 . . . . . . . . . rr_2dx3 1 . 8 . 2331 . 1 1 16 TRP CZ3 C 3.691 11.562 4.927 . . . 1.0 . . . . . . . . . . . . A . 16 TRP CZ3 . . . . . . . . . rr_2dx3 1 . 8 . 2332 . 1 1 16 TRP H H 2.655 8.492 -1.062 . . . 1.0 . . . . . . . . . . . . A . 16 TRP H . . . . . . . . . rr_2dx3 1 . 8 . 2333 . 1 1 16 TRP HA H 1.933 10.642 0.700 . . . 1.0 . . . . . . . . . . . . A . 16 TRP HA . . . . . . . . . rr_2dx3 1 . 8 . 2334 . 1 1 16 TRP HB2 H 1.498 8.834 1.907 . . . 1.0 . . . . . . . . . . . . A . 16 TRP HB2 . . . . . . . . . rr_2dx3 1 . 8 . 2335 . 1 1 16 TRP HB3 H 2.478 7.800 0.885 . . . 1.0 . . . . . . . . . . . . A . 16 TRP HB3 . . . . . . . . . rr_2dx3 1 . 8 . 2336 . 1 1 16 TRP HD1 H 4.484 6.749 2.174 . . . 1.0 . . . . . . . . . . . . A . 16 TRP HD1 . . . . . . . . . rr_2dx3 1 . 8 . 2337 . 1 1 16 TRP HE1 H 6.001 7.286 4.265 . . . 1.0 . . . . . . . . . . . . A . 16 TRP HE1 . . . . . . . . . rr_2dx3 1 . 8 . 2338 . 1 1 16 TRP HE3 H 2.362 11.251 3.216 . . . 1.0 . . . . . . . . . . . . A . 16 TRP HE3 . . . . . . . . . rr_2dx3 1 . 8 . 2339 . 1 1 16 TRP HH2 H 5.071 11.714 6.574 . . . 1.0 . . . . . . . . . . . . A . 16 TRP HH2 . . . . . . . . . rr_2dx3 1 . 8 . 2340 . 1 1 16 TRP HZ2 H 6.141 9.484 6.080 . . . 1.0 . . . . . . . . . . . . A . 16 TRP HZ2 . . . . . . . . . rr_2dx3 1 . 8 . 2341 . 1 1 16 TRP HZ3 H 3.248 12.529 5.165 . . . 1.0 . . . . . . . . . . . . A . 16 TRP HZ3 . . . . . . . . . rr_2dx3 1 . 8 . 2342 . 1 1 16 TRP N N 2.507 9.467 -0.899 . . . 1.0 . . . . . . . . . . . . A . 16 TRP N . . . . . . . . . rr_2dx3 1 . 8 . 2343 . 1 1 16 TRP NE1 N 5.211 7.925 3.869 . . . 1.0 . . . . . . . . . . . . A . 16 TRP NE1 . . . . . . . . . rr_2dx3 1 . 8 . 2344 . 1 1 16 TRP O O 4.226 11.744 0.578 . . . 1.0 . . . . . . . . . . . . A . 16 TRP O . . . . . . . . . rr_2dx3 1 . 8 . 2345 . 1 1 17 THR C C 7.418 9.042 0.273 . . . 1.0 . . . . . . . . . . . . A . 17 THR C . . . . . . . . . rr_2dx3 1 . 8 . 2346 . 1 1 17 THR CA C 6.460 10.107 0.812 . . . 1.0 . . . . . . . . . . . . A . 17 THR CA . . . . . . . . . rr_2dx3 1 . 8 . 2347 . 1 1 17 THR CB C 6.717 10.471 2.275 . . . 1.0 . . . . . . . . . . . . A . 17 THR CB . . . . . . . . . rr_2dx3 1 . 8 . 2348 . 1 1 17 THR CG2 C 7.434 9.355 3.039 . . . 1.0 . . . . . . . . . . . . A . 17 THR CG2 . . . . . . . . . rr_2dx3 1 . 8 . 2349 . 1 1 17 THR H H 4.963 8.662 0.705 . . . 1.0 . . . . . . . . . . . . A . 17 THR H . . . . . . . . . rr_2dx3 1 . 8 . 2350 . 1 1 17 THR HA H 6.584 10.993 0.189 . . . 1.0 . . . . . . . . . . . . A . 17 THR HA . . . . . . . . . rr_2dx3 1 . 8 . 2351 . 1 1 17 THR HB H 5.790 10.751 2.775 . . . 1.0 . . . . . . . . . . . . A . 17 THR HB . . . . . . . . . rr_2dx3 1 . 8 . 2352 . 1 1 17 THR HG1 H 8.546 11.166 1.855 . . . 1.0 . . . . . . . . . . . . A . 17 THR HG1 . . . . . . . . . rr_2dx3 1 . 8 . 2353 . 1 1 17 THR HG21 H 8.511 9.456 2.904 . . . 1.0 . . . . . . . . . . . . A . 17 THR HG21 . . . . . . . . . rr_2dx3 1 . 8 . 2354 . 1 1 17 THR HG22 H 7.192 9.427 4.099 . . . 1.0 . . . . . . . . . . . . A . 17 THR HG22 . . . . . . . . . rr_2dx3 1 . 8 . 2355 . 1 1 17 THR HG23 H 7.109 8.387 2.657 . . . 1.0 . . . . . . . . . . . . A . 17 THR HG23 . . . . . . . . . rr_2dx3 1 . 8 . 2356 . 1 1 17 THR N N 5.084 9.655 0.696 . . . 1.0 . . . . . . . . . . . . A . 17 THR N . . . . . . . . . rr_2dx3 1 . 8 . 2357 . 1 1 17 THR O O 7.074 7.862 0.220 . . . 1.0 . . . . . . . . . . . . A . 17 THR O . . . . . . . . . rr_2dx3 1 . 8 . 2358 . 1 1 17 THR OG1 O 7.680 11.519 2.208 . . . 1.0 . . . . . . . . . . . . A . 17 THR OG1 . . . . . . . . . rr_2dx3 1 . 8 . 2359 . 1 1 18 ALA C C 10.815 9.415 -1.120 . . . 1.0 . . . . . . . . . . . . A . 18 ALA C . . . . . . . . . rr_2dx3 1 . 8 . 2360 . 1 1 18 ALA CA C 9.610 8.599 -0.647 . . . 1.0 . . . . . . . . . . . . A . 18 ALA CA . . . . . . . . . rr_2dx3 1 . 8 . 2361 . 1 1 18 ALA CB C 9.002 7.754 -1.768 . . . 1.0 . . . . . . . . . . . . A . 18 ALA CB . . . . . . . . . rr_2dx3 1 . 8 . 2362 . 1 1 18 ALA H H 8.872 10.459 -0.068 . . . 1.0 . . . . . . . . . . . . A . 18 ALA H . . . . . . . . . rr_2dx3 1 . 8 . 2363 . 1 1 18 ALA HA H 9.925 7.937 0.160 . . . 1.0 . . . . . . . . . . . . A . 18 ALA HA . . . . . . . . . rr_2dx3 1 . 8 . 2364 . 1 1 18 ALA HB1 H 8.851 6.734 -1.413 . . . 1.0 . . . . . . . . . . . . A . 18 ALA HB1 . . . . . . . . . rr_2dx3 1 . 8 . 2365 . 1 1 18 ALA HB2 H 8.044 8.181 -2.066 . . . 1.0 . . . . . . . . . . . . A . 18 ALA HB2 . . . . . . . . . rr_2dx3 1 . 8 . 2366 . 1 1 18 ALA HB3 H 9.677 7.745 -2.623 . . . 1.0 . . . . . . . . . . . . A . 18 ALA HB3 . . . . . . . . . rr_2dx3 1 . 8 . 2367 . 1 1 18 ALA N N 8.600 9.497 -0.114 . . . 1.0 . . . . . . . . . . . . A . 18 ALA N . . . . . . . . . rr_2dx3 1 . 8 . 2368 . 1 1 18 ALA O O 10.705 10.621 -1.336 . . . 1.0 . . . . . . . . . . . . A . 18 ALA O . . . . . . . . . rr_2dx3 1 . 9 . 2369 . 1 1 1 ILE C C -5.572 -9.979 2.945 . . . 1.0 . . . . . . . . . . . . A . 1 ILE C . . . . . . . . . rr_2dx3 1 . 9 . 2370 . 1 1 1 ILE CA C -5.142 -10.038 4.413 . . . 1.0 . . . . . . . . . . . . A . 1 ILE CA . . . . . . . . . rr_2dx3 1 . 9 . 2371 . 1 1 1 ILE CB C -4.364 -8.805 4.876 . . . 1.0 . . . . . . . . . . . . A . 1 ILE CB . . . . . . . . . rr_2dx3 1 . 9 . 2372 . 1 1 1 ILE CD1 C -5.429 -8.696 7.159 . . . 1.0 . . . . . . . . . . . . A . 1 ILE CD1 . . . . . . . . . rr_2dx3 1 . 9 . 2373 . 1 1 1 ILE CG1 C -4.118 -8.848 6.386 . . . 1.0 . . . . . . . . . . . . A . 1 ILE CG1 . . . . . . . . . rr_2dx3 1 . 9 . 2374 . 1 1 1 ILE CG2 C -5.070 -7.518 4.446 . . . 1.0 . . . . . . . . . . . . A . 1 ILE CG2 . . . . . . . . . rr_2dx3 1 . 9 . 2375 . 1 1 1 ILE H1 H -4.392 -11.599 5.571 . . . 1.0 . . . . . . . . . . . . A . 1 ILE H1 . . . . . . . . . rr_2dx3 1 . 9 . 2376 . 1 1 1 ILE HA H -6.036 -10.107 5.032 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HA . . . . . . . . . rr_2dx3 1 . 9 . 2377 . 1 1 1 ILE HB H -3.388 -8.815 4.390 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HB . . . . . . . . . rr_2dx3 1 . 9 . 2378 . 1 1 1 ILE HD11 H -5.420 -7.754 7.708 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HD11 . . . . . . . . . rr_2dx3 1 . 9 . 2379 . 1 1 1 ILE HD12 H -6.266 -8.702 6.461 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HD12 . . . . . . . . . rr_2dx3 1 . 9 . 2380 . 1 1 1 ILE HD13 H -5.535 -9.524 7.860 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HD13 . . . . . . . . . rr_2dx3 1 . 9 . 2381 . 1 1 1 ILE HG12 H -3.640 -9.790 6.653 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HG12 . . . . . . . . . rr_2dx3 1 . 9 . 2382 . 1 1 1 ILE HG13 H -3.430 -8.050 6.668 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HG13 . . . . . . . . . rr_2dx3 1 . 9 . 2383 . 1 1 1 ILE HG21 H -4.369 -6.881 3.908 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HG21 . . . . . . . . . rr_2dx3 1 . 9 . 2384 . 1 1 1 ILE HG22 H -5.910 -7.764 3.797 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HG22 . . . . . . . . . rr_2dx3 1 . 9 . 2385 . 1 1 1 ILE HG23 H -5.435 -6.992 5.328 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HG23 . . . . . . . . . rr_2dx3 1 . 9 . 2386 . 1 1 1 ILE N N -4.364 -11.245 4.636 . . . 1.0 . . . . . . . . . . . . A . 1 ILE N . . . . . . . . . rr_2dx3 1 . 9 . 2387 . 1 1 1 ILE O O -6.478 -10.700 2.531 . . . 1.0 . . . . . . . . . . . . A . 1 ILE O . . . . . . . . . rr_2dx3 1 . 9 . 2388 . 1 1 2 ASN C C -4.031 -8.248 0.099 . . . 1.0 . . . . . . . . . . . . A . 2 ASN C . . . . . . . . . rr_2dx3 1 . 9 . 2389 . 1 1 2 ASN CA C -5.202 -8.950 0.788 . . . 1.0 . . . . . . . . . . . . A . 2 ASN CA . . . . . . . . . rr_2dx3 1 . 9 . 2390 . 1 1 2 ASN CB C -6.452 -8.091 0.587 . . . 1.0 . . . . . . . . . . . . A . 2 ASN CB . . . . . . . . . rr_2dx3 1 . 9 . 2391 . 1 1 2 ASN CG C -7.068 -8.332 -0.793 . . . 1.0 . . . . . . . . . . . . A . 2 ASN CG . . . . . . . . . rr_2dx3 1 . 9 . 2392 . 1 1 2 ASN H H -4.165 -8.530 2.545 . . . 1.0 . . . . . . . . . . . . A . 2 ASN H . . . . . . . . . rr_2dx3 1 . 9 . 2393 . 1 1 2 ASN HA H -5.364 -9.959 0.411 . . . 1.0 . . . . . . . . . . . . A . 2 ASN HA . . . . . . . . . rr_2dx3 1 . 9 . 2394 . 1 1 2 ASN HB2 H -7.184 -8.321 1.361 . . . 1.0 . . . . . . . . . . . . A . 2 ASN HB2 . . . . . . . . . rr_2dx3 1 . 9 . 2395 . 1 1 2 ASN HB3 H -6.195 -7.037 0.695 . . . 1.0 . . . . . . . . . . . . A . 2 ASN HB3 . . . . . . . . . rr_2dx3 1 . 9 . 2396 . 1 1 2 ASN HD21 H -7.620 -6.385 -0.835 . . . 1.0 . . . . . . . . . . . . A . 2 ASN HD21 . . . . . . . . . rr_2dx3 1 . 9 . 2397 . 1 1 2 ASN HD22 H -8.057 -7.310 -2.233 . . . 1.0 . . . . . . . . . . . . A . 2 ASN HD22 . . . . . . . . . rr_2dx3 1 . 9 . 2398 . 1 1 2 ASN N N -4.901 -9.113 2.200 . . . 1.0 . . . . . . . . . . . . A . 2 ASN N . . . . . . . . . rr_2dx3 1 . 9 . 2399 . 1 1 2 ASN ND2 N -7.628 -7.253 -1.331 . . . 1.0 . . . . . . . . . . . . A . 2 ASN ND2 . . . . . . . . . rr_2dx3 1 . 9 . 2400 . 1 1 2 ASN O O -3.340 -7.436 0.713 . . . 1.0 . . . . . . . . . . . . A . 2 ASN O . . . . . . . . . rr_2dx3 1 . 9 . 2401 . 1 1 2 ASN OD1 O -7.036 -9.426 -1.332 . . . 1.0 . . . . . . . . . . . . A . 2 ASN OD1 . . . . . . . . . rr_2dx3 1 . 9 . 2402 . 1 1 3 TYR C C -2.958 -6.488 -2.097 . . . 1.0 . . . . . . . . . . . . A . 3 TYR C . . . . . . . . . rr_2dx3 1 . 9 . 2403 . 1 1 3 TYR CA C -2.765 -7.999 -1.947 . . . 1.0 . . . . . . . . . . . . A . 3 TYR CA . . . . . . . . . rr_2dx3 1 . 9 . 2404 . 1 1 3 TYR CB C -2.842 -8.649 -3.330 . . . 1.0 . . . . . . . . . . . . A . 3 TYR CB . . . . . . . . . rr_2dx3 1 . 9 . 2405 . 1 1 3 TYR CD1 C -1.401 -7.236 -4.841 . . . 1.0 . . . . . . . . . . . . A . 3 TYR CD1 . . . . . . . . . rr_2dx3 1 . 9 . 2406 . 1 1 3 TYR CD2 C -0.659 -9.445 -4.309 . . . 1.0 . . . . . . . . . . . . A . 3 TYR CD2 . . . . . . . . . rr_2dx3 1 . 9 . 2407 . 1 1 3 TYR CE1 C -0.225 -7.036 -5.648 . . . 1.0 . . . . . . . . . . . . A . 3 TYR CE1 . . . . . . . . . rr_2dx3 1 . 9 . 2408 . 1 1 3 TYR CE2 C 0.516 -9.245 -5.116 . . . 1.0 . . . . . . . . . . . . A . 3 TYR CE2 . . . . . . . . . rr_2dx3 1 . 9 . 2409 . 1 1 3 TYR CG C -1.593 -8.437 -4.188 . . . 1.0 . . . . . . . . . . . . A . 3 TYR CG . . . . . . . . . rr_2dx3 1 . 9 . 2410 . 1 1 3 TYR CZ C 0.675 -8.050 -5.746 . . . 1.0 . . . . . . . . . . . . A . 3 TYR CZ . . . . . . . . . rr_2dx3 1 . 9 . 2411 . 1 1 3 TYR H H -4.407 -9.248 -1.660 . . . 1.0 . . . . . . . . . . . . A . 3 TYR H . . . . . . . . . rr_2dx3 1 . 9 . 2412 . 1 1 3 TYR HA H -1.829 -8.188 -1.424 . . . 1.0 . . . . . . . . . . . . A . 3 TYR HA . . . . . . . . . rr_2dx3 1 . 9 . 2413 . 1 1 3 TYR HB2 H -3.008 -9.720 -3.208 . . . 1.0 . . . . . . . . . . . . A . 3 TYR HB2 . . . . . . . . . rr_2dx3 1 . 9 . 2414 . 1 1 3 TYR HB3 H -3.707 -8.251 -3.860 . . . 1.0 . . . . . . . . . . . . A . 3 TYR HB3 . . . . . . . . . rr_2dx3 1 . 9 . 2415 . 1 1 3 TYR HD1 H -2.138 -6.439 -4.745 . . . 1.0 . . . . . . . . . . . . A . 3 TYR HD1 . . . . . . . . . rr_2dx3 1 . 9 . 2416 . 1 1 3 TYR HD2 H -0.811 -10.394 -3.793 . . . 1.0 . . . . . . . . . . . . A . 3 TYR HD2 . . . . . . . . . rr_2dx3 1 . 9 . 2417 . 1 1 3 TYR HE1 H -0.061 -6.092 -6.169 . . . 1.0 . . . . . . . . . . . . A . 3 TYR HE1 . . . . . . . . . rr_2dx3 1 . 9 . 2418 . 1 1 3 TYR HE2 H 1.262 -10.033 -5.220 . . . 1.0 . . . . . . . . . . . . A . 3 TYR HE2 . . . . . . . . . rr_2dx3 1 . 9 . 2419 . 1 1 3 TYR HH H 2.552 -7.578 -5.932 . . . 1.0 . . . . . . . . . . . . A . 3 TYR HH . . . . . . . . . rr_2dx3 1 . 9 . 2420 . 1 1 3 TYR N N -3.842 -8.586 -1.168 . . . 1.0 . . . . . . . . . . . . A . 3 TYR N . . . . . . . . . rr_2dx3 1 . 9 . 2421 . 1 1 3 TYR O O -2.009 -5.764 -2.394 . . . 1.0 . . . . . . . . . . . . A . 3 TYR O . . . . . . . . . rr_2dx3 1 . 9 . 2422 . 1 1 3 TYR OH O 1.785 -7.861 -6.509 . . . 1.0 . . . . . . . . . . . . A . 3 TYR OH . . . . . . . . . rr_2dx3 1 . 9 . 2423 . 1 1 4 TRP C C -4.251 -3.993 -0.633 . . . 1.0 . . . . . . . . . . . . A . 4 TRP C . . . . . . . . . rr_2dx3 1 . 9 . 2424 . 1 1 4 TRP CA C -4.522 -4.646 -1.990 . . . 1.0 . . . . . . . . . . . . A . 4 TRP CA . . . . . . . . . rr_2dx3 1 . 9 . 2425 . 1 1 4 TRP CB C -5.962 -4.454 -2.469 . . . 1.0 . . . . . . . . . . . . A . 4 TRP CB . . . . . . . . . rr_2dx3 1 . 9 . 2426 . 1 1 4 TRP CD1 C -7.082 -5.686 -4.441 . . . 1.0 . . . . . . . . . . . . A . 4 TRP CD1 . . . . . . . . . rr_2dx3 1 . 9 . 2427 . 1 1 4 TRP CD2 C -5.459 -4.318 -5.073 . . . 1.0 . . . . . . . . . . . . A . 4 TRP CD2 . . . . . . . . . rr_2dx3 1 . 9 . 2428 . 1 1 4 TRP CE2 C -5.968 -4.907 -6.212 . . . 1.0 . . . . . . . . . . . . A . 4 TRP CE2 . . . . . . . . . rr_2dx3 1 . 9 . 2429 . 1 1 4 TRP CE3 C -4.405 -3.388 -5.138 . . . 1.0 . . . . . . . . . . . . A . 4 TRP CE3 . . . . . . . . . rr_2dx3 1 . 9 . 2430 . 1 1 4 TRP CG C -6.185 -4.828 -3.936 . . . 1.0 . . . . . . . . . . . . A . 4 TRP CG . . . . . . . . . rr_2dx3 1 . 9 . 2431 . 1 1 4 TRP CH2 C -4.438 -3.711 -7.587 . . . 1.0 . . . . . . . . . . . . A . 4 TRP CH2 . . . . . . . . . rr_2dx3 1 . 9 . 2432 . 1 1 4 TRP CZ2 C -5.488 -4.633 -7.498 . . . 1.0 . . . . . . . . . . . . A . 4 TRP CZ2 . . . . . . . . . rr_2dx3 1 . 9 . 2433 . 1 1 4 TRP CZ3 C -3.936 -3.126 -6.431 . . . 1.0 . . . . . . . . . . . . A . 4 TRP CZ3 . . . . . . . . . rr_2dx3 1 . 9 . 2434 . 1 1 4 TRP H H -4.959 -6.653 -1.642 . . . 1.0 . . . . . . . . . . . . A . 4 TRP H . . . . . . . . . rr_2dx3 1 . 9 . 2435 . 1 1 4 TRP HA H -3.873 -4.209 -2.750 . . . 1.0 . . . . . . . . . . . . A . 4 TRP HA . . . . . . . . . rr_2dx3 1 . 9 . 2436 . 1 1 4 TRP HB2 H -6.624 -5.055 -1.846 . . . 1.0 . . . . . . . . . . . . A . 4 TRP HB2 . . . . . . . . . rr_2dx3 1 . 9 . 2437 . 1 1 4 TRP HB3 H -6.246 -3.412 -2.323 . . . 1.0 . . . . . . . . . . . . A . 4 TRP HB3 . . . . . . . . . rr_2dx3 1 . 9 . 2438 . 1 1 4 TRP HD1 H -7.797 -6.250 -3.842 . . . 1.0 . . . . . . . . . . . . A . 4 TRP HD1 . . . . . . . . . rr_2dx3 1 . 9 . 2439 . 1 1 4 TRP HE1 H -7.598 -6.387 -6.469 . . . 1.0 . . . . . . . . . . . . A . 4 TRP HE1 . . . . . . . . . rr_2dx3 1 . 9 . 2440 . 1 1 4 TRP HE3 H -3.985 -2.909 -4.254 . . . 1.0 . . . . . . . . . . . . A . 4 TRP HE3 . . . . . . . . . rr_2dx3 1 . 9 . 2441 . 1 1 4 TRP HH2 H -4.017 -3.452 -8.559 . . . 1.0 . . . . . . . . . . . . A . 4 TRP HH2 . . . . . . . . . rr_2dx3 1 . 9 . 2442 . 1 1 4 TRP HZ2 H -5.907 -5.113 -8.383 . . . 1.0 . . . . . . . . . . . . A . 4 TRP HZ2 . . . . . . . . . rr_2dx3 1 . 9 . 2443 . 1 1 4 TRP HZ3 H -3.119 -2.412 -6.538 . . . 1.0 . . . . . . . . . . . . A . 4 TRP HZ3 . . . . . . . . . rr_2dx3 1 . 9 . 2444 . 1 1 4 TRP N N -4.193 -6.057 -1.883 . . . 1.0 . . . . . . . . . . . . A . 4 TRP N . . . . . . . . . rr_2dx3 1 . 9 . 2445 . 1 1 4 TRP NE1 N -6.987 -5.766 -5.815 . . . 1.0 . . . . . . . . . . . . A . 4 TRP NE1 . . . . . . . . . rr_2dx3 1 . 9 . 2446 . 1 1 4 TRP O O -3.783 -2.857 -0.569 . . . 1.0 . . . . . . . . . . . . A . 4 TRP O . . . . . . . . . rr_2dx3 1 . 9 . 2447 . 1 1 5 LEU C C -2.963 -4.670 2.257 . . . 1.0 . . . . . . . . . . . . A . 5 LEU C . . . . . . . . . rr_2dx3 1 . 9 . 2448 . 1 1 5 LEU CA C -4.351 -4.248 1.770 . . . 1.0 . . . . . . . . . . . . A . 5 LEU CA . . . . . . . . . rr_2dx3 1 . 9 . 2449 . 1 1 5 LEU CB C -5.489 -4.705 2.685 . . . 1.0 . . . . . . . . . . . . A . 5 LEU CB . . . . . . . . . rr_2dx3 1 . 9 . 2450 . 1 1 5 LEU CD1 C -6.805 -3.040 1.322 . . . 1.0 . . . . . . . . . . . . A . 5 LEU CD1 . . . . . . . . . rr_2dx3 1 . 9 . 2451 . 1 1 5 LEU CD2 C -7.776 -5.329 1.824 . . . 1.0 . . . . . . . . . . . . A . 5 LEU CD2 . . . . . . . . . rr_2dx3 1 . 9 . 2452 . 1 1 5 LEU CG C -6.885 -4.191 2.326 . . . 1.0 . . . . . . . . . . . . A . 5 LEU CG . . . . . . . . . rr_2dx3 1 . 9 . 2453 . 1 1 5 LEU H H -4.936 -5.663 0.358 . . . 1.0 . . . . . . . . . . . . A . 5 LEU H . . . . . . . . . rr_2dx3 1 . 9 . 2454 . 1 1 5 LEU HA H -4.387 -3.159 1.730 . . . 1.0 . . . . . . . . . . . . A . 5 LEU HA . . . . . . . . . rr_2dx3 1 . 9 . 2455 . 1 1 5 LEU HB2 H -5.513 -5.794 2.685 . . . 1.0 . . . . . . . . . . . . A . 5 LEU HB2 . . . . . . . . . rr_2dx3 1 . 9 . 2456 . 1 1 5 LEU HB3 H -5.259 -4.391 3.703 . . . 1.0 . . . . . . . . . . . . A . 5 LEU HB3 . . . . . . . . . rr_2dx3 1 . 9 . 2457 . 1 1 5 LEU HD11 H -7.802 -2.632 1.156 . . . 1.0 . . . . . . . . . . . . A . 5 LEU HD11 . . . . . . . . . rr_2dx3 1 . 9 . 2458 . 1 1 5 LEU HD12 H -6.153 -2.260 1.715 . . . 1.0 . . . . . . . . . . . . A . 5 LEU HD12 . . . . . . . . . rr_2dx3 1 . 9 . 2459 . 1 1 5 LEU HD13 H -6.402 -3.409 0.378 . . . 1.0 . . . . . . . . . . . . A . 5 LEU HD13 . . . . . . . . . rr_2dx3 1 . 9 . 2460 . 1 1 5 LEU HD21 H -7.354 -6.285 2.135 . . . 1.0 . . . . . . . . . . . . A . 5 LEU HD21 . . . . . . . . . rr_2dx3 1 . 9 . 2461 . 1 1 5 LEU HD22 H -8.776 -5.220 2.242 . . . 1.0 . . . . . . . . . . . . A . 5 LEU HD22 . . . . . . . . . rr_2dx3 1 . 9 . 2462 . 1 1 5 LEU HD23 H -7.831 -5.294 0.735 . . . 1.0 . . . . . . . . . . . . A . 5 LEU HD23 . . . . . . . . . rr_2dx3 1 . 9 . 2463 . 1 1 5 LEU HG H -7.347 -3.797 3.231 . . . 1.0 . . . . . . . . . . . . A . 5 LEU HG . . . . . . . . . rr_2dx3 1 . 9 . 2464 . 1 1 5 LEU N N -4.556 -4.740 0.418 . . . 1.0 . . . . . . . . . . . . A . 5 LEU N . . . . . . . . . rr_2dx3 1 . 9 . 2465 . 1 1 5 LEU O O -2.745 -4.830 3.457 . . . 1.0 . . . . . . . . . . . . A . 5 LEU O . . . . . . . . . rr_2dx3 1 . 9 . 2466 . 1 1 6 ALA C C 0.275 -4.443 0.749 . . . 1.0 . . . . . . . . . . . . A . 6 ALA C . . . . . . . . . rr_2dx3 1 . 9 . 2467 . 1 1 6 ALA CA C -0.701 -5.238 1.618 . . . 1.0 . . . . . . . . . . . . A . 6 ALA CA . . . . . . . . . rr_2dx3 1 . 9 . 2468 . 1 1 6 ALA CB C -0.555 -6.749 1.425 . . . 1.0 . . . . . . . . . . . . A . 6 ALA CB . . . . . . . . . rr_2dx3 1 . 9 . 2469 . 1 1 6 ALA H H -2.247 -4.705 0.327 . . . 1.0 . . . . . . . . . . . . A . 6 ALA H . . . . . . . . . rr_2dx3 1 . 9 . 2470 . 1 1 6 ALA HA H -0.520 -4.999 2.666 . . . 1.0 . . . . . . . . . . . . A . 6 ALA HA . . . . . . . . . rr_2dx3 1 . 9 . 2471 . 1 1 6 ALA HB1 H -0.673 -6.993 0.369 . . . 1.0 . . . . . . . . . . . . A . 6 ALA HB1 . . . . . . . . . rr_2dx3 1 . 9 . 2472 . 1 1 6 ALA HB2 H 0.431 -7.065 1.763 . . . 1.0 . . . . . . . . . . . . A . 6 ALA HB2 . . . . . . . . . rr_2dx3 1 . 9 . 2473 . 1 1 6 ALA HB3 H -1.321 -7.265 2.004 . . . 1.0 . . . . . . . . . . . . A . 6 ALA HB3 . . . . . . . . . rr_2dx3 1 . 9 . 2474 . 1 1 6 ALA N N -2.061 -4.838 1.301 . . . 1.0 . . . . . . . . . . . . A . 6 ALA N . . . . . . . . . rr_2dx3 1 . 9 . 2475 . 1 1 6 ALA O O 1.267 -3.913 1.249 . . . 1.0 . . . . . . . . . . . . A . 6 ALA O . . . . . . . . . rr_2dx3 1 . 9 . 2476 . 1 1 7 HIS C C 0.299 -2.221 -1.611 . . . 1.0 . . . . . . . . . . . . A . 7 HIS C . . . . . . . . . rr_2dx3 1 . 9 . 2477 . 1 1 7 HIS CA C 0.798 -3.662 -1.480 . . . 1.0 . . . . . . . . . . . . A . 7 HIS CA . . . . . . . . . rr_2dx3 1 . 9 . 2478 . 1 1 7 HIS CB C 0.859 -4.393 -2.822 . . . 1.0 . . . . . . . . . . . . A . 7 HIS CB . . . . . . . . . rr_2dx3 1 . 9 . 2479 . 1 1 7 HIS CD2 C 1.807 -6.540 -1.671 . . . 1.0 . . . . . . . . . . . . A . 7 HIS CD2 . . . . . . . . . rr_2dx3 1 . 9 . 2480 . 1 1 7 HIS CE1 C 2.369 -7.639 -3.477 . . . 1.0 . . . . . . . . . . . . A . 7 HIS CE1 . . . . . . . . . rr_2dx3 1 . 9 . 2481 . 1 1 7 HIS CG C 1.486 -5.765 -2.746 . . . 1.0 . . . . . . . . . . . . A . 7 HIS CG . . . . . . . . . rr_2dx3 1 . 9 . 2482 . 1 1 7 HIS H H -0.847 -4.817 -0.935 . . . 1.0 . . . . . . . . . . . . A . 7 HIS H . . . . . . . . . rr_2dx3 1 . 9 . 2483 . 1 1 7 HIS HA H 1.804 -3.652 -1.060 . . . 1.0 . . . . . . . . . . . . A . 7 HIS HA . . . . . . . . . rr_2dx3 1 . 9 . 2484 . 1 1 7 HIS HB2 H -0.151 -4.487 -3.219 . . . 1.0 . . . . . . . . . . . . A . 7 HIS HB2 . . . . . . . . . rr_2dx3 1 . 9 . 2485 . 1 1 7 HIS HB3 H 1.424 -3.785 -3.530 . . . 1.0 . . . . . . . . . . . . A . 7 HIS HB3 . . . . . . . . . rr_2dx3 1 . 9 . 2486 . 1 1 7 HIS HD1 H 1.747 -6.184 -4.818 . . . 1.0 . . . . . . . . . . . . A . 7 HIS HD1 . . . . . . . . . rr_2dx3 1 . 9 . 2487 . 1 1 7 HIS HD2 H 1.651 -6.274 -0.625 . . . 1.0 . . . . . . . . . . . . A . 7 HIS HD2 . . . . . . . . . rr_2dx3 1 . 9 . 2488 . 1 1 7 HIS HE1 H 2.751 -8.425 -4.128 . . . 1.0 . . . . . . . . . . . . A . 7 HIS HE1 . . . . . . . . . rr_2dx3 1 . 9 . 2489 . 1 1 7 HIS HE2 H 2.716 -8.400 -1.541 . . . 1.0 . . . . . . . . . . . . A . 7 HIS HE2 . . . . . . . . . rr_2dx3 1 . 9 . 2490 . 1 1 7 HIS N N -0.039 -4.384 -0.537 . . . 1.0 . . . . . . . . . . . . A . 7 HIS N . . . . . . . . . rr_2dx3 1 . 9 . 2491 . 1 1 7 HIS ND1 N 1.853 -6.484 -3.870 . . . 1.0 . . . . . . . . . . . . A . 7 HIS ND1 . . . . . . . . . rr_2dx3 1 . 9 . 2492 . 1 1 7 HIS NE2 N 2.339 -7.672 -2.114 . . . 1.0 . . . . . . . . . . . . A . 7 HIS NE2 . . . . . . . . . rr_2dx3 1 . 9 . 2493 . 1 1 7 HIS O O 1.097 -1.288 -1.677 . . . 1.0 . . . . . . . . . . . . A . 7 HIS O . . . . . . . . . rr_2dx3 1 . 9 . 2494 . 1 1 8 ALA C C -1.457 -0.010 -0.455 . . . 1.0 . . . . . . . . . . . . A . 8 ALA C . . . . . . . . . rr_2dx3 1 . 9 . 2495 . 1 1 8 ALA CA C -1.634 -0.776 -1.768 . . . 1.0 . . . . . . . . . . . . A . 8 ALA CA . . . . . . . . . rr_2dx3 1 . 9 . 2496 . 1 1 8 ALA CB C -3.105 -0.937 -2.155 . . . 1.0 . . . . . . . . . . . . A . 8 ALA CB . . . . . . . . . rr_2dx3 1 . 9 . 2497 . 1 1 8 ALA H H -1.661 -2.851 -1.591 . . . 1.0 . . . . . . . . . . . . A . 8 ALA H . . . . . . . . . rr_2dx3 1 . 9 . 2498 . 1 1 8 ALA HA H -1.118 -0.240 -2.564 . . . 1.0 . . . . . . . . . . . . A . 8 ALA HA . . . . . . . . . rr_2dx3 1 . 9 . 2499 . 1 1 8 ALA HB1 H -3.355 -0.222 -2.940 . . . 1.0 . . . . . . . . . . . . A . 8 ALA HB1 . . . . . . . . . rr_2dx3 1 . 9 . 2500 . 1 1 8 ALA HB2 H -3.277 -1.950 -2.519 . . . 1.0 . . . . . . . . . . . . A . 8 ALA HB2 . . . . . . . . . rr_2dx3 1 . 9 . 2501 . 1 1 8 ALA HB3 H -3.733 -0.753 -1.283 . . . 1.0 . . . . . . . . . . . . A . 8 ALA HB3 . . . . . . . . . rr_2dx3 1 . 9 . 2502 . 1 1 8 ALA N N -1.019 -2.087 -1.645 . . . 1.0 . . . . . . . . . . . . A . 8 ALA N . . . . . . . . . rr_2dx3 1 . 9 . 2503 . 1 1 8 ALA O O -1.768 1.178 -0.379 . . . 1.0 . . . . . . . . . . . . A . 8 ALA O . . . . . . . . . rr_2dx3 1 . 9 . 2504 . 1 1 9 LYS C C 0.740 0.248 1.993 . . . 1.0 . . . . . . . . . . . . A . 9 LYS C . . . . . . . . . rr_2dx3 1 . 9 . 2505 . 1 1 9 LYS CA C -0.737 -0.123 1.851 . . . 1.0 . . . . . . . . . . . . A . 9 LYS CA . . . . . . . . . rr_2dx3 1 . 9 . 2506 . 1 1 9 LYS CB C -1.248 -1.047 2.958 . . . 1.0 . . . . . . . . . . . . A . 9 LYS CB . . . . . . . . . rr_2dx3 1 . 9 . 2507 . 1 1 9 LYS CD C -2.424 -1.136 5.187 . . . 1.0 . . . . . . . . . . . . A . 9 LYS CD . . . . . . . . . rr_2dx3 1 . 9 . 2508 . 1 1 9 LYS CE C -3.934 -1.270 5.396 . . . 1.0 . . . . . . . . . . . . A . 9 LYS CE . . . . . . . . . rr_2dx3 1 . 9 . 2509 . 1 1 9 LYS CG C -2.115 -0.279 3.958 . . . 1.0 . . . . . . . . . . . . A . 9 LYS CG . . . . . . . . . rr_2dx3 1 . 9 . 2510 . 1 1 9 LYS H H -0.709 -1.687 0.475 . . . 1.0 . . . . . . . . . . . . A . 9 LYS H . . . . . . . . . rr_2dx3 1 . 9 . 2511 . 1 1 9 LYS HA H -1.329 0.791 1.896 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HA . . . . . . . . . rr_2dx3 1 . 9 . 2512 . 1 1 9 LYS HB2 H -1.827 -1.861 2.520 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HB2 . . . . . . . . . rr_2dx3 1 . 9 . 2513 . 1 1 9 LYS HB3 H -0.404 -1.501 3.477 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HB3 . . . . . . . . . rr_2dx3 1 . 9 . 2514 . 1 1 9 LYS HD2 H -1.981 -2.124 5.067 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HD2 . . . . . . . . . rr_2dx3 1 . 9 . 2515 . 1 1 9 LYS HD3 H -1.970 -0.687 6.071 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HD3 . . . . . . . . . rr_2dx3 1 . 9 . 2516 . 1 1 9 LYS HE2 H -4.447 -1.211 4.436 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HE2 . . . . . . . . . rr_2dx3 1 . 9 . 2517 . 1 1 9 LYS HE3 H -4.163 -2.248 5.820 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HE3 . . . . . . . . . rr_2dx3 1 . 9 . 2518 . 1 1 9 LYS HG2 H -1.601 0.632 4.265 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HG2 . . . . . . . . . rr_2dx3 1 . 9 . 2519 . 1 1 9 LYS HG3 H -3.045 0.026 3.479 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HG3 . . . . . . . . . rr_2dx3 1 . 9 . 2520 . 1 1 9 LYS HZ1 H -5.349 0.070 6.013 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HZ1 . . . . . . . . . rr_2dx3 1 . 9 . 2521 . 1 1 9 LYS HZ2 H -4.458 -0.548 7.235 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HZ2 . . . . . . . . . rr_2dx3 1 . 9 . 2522 . 1 1 9 LYS HZ3 H -3.817 0.584 6.248 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HZ3 . . . . . . . . . rr_2dx3 1 . 9 . 2523 . 1 1 9 LYS N N -0.959 -0.721 0.546 . . . 1.0 . . . . . . . . . . . . A . 9 LYS N . . . . . . . . . rr_2dx3 1 . 9 . 2524 . 1 1 9 LYS NZ N -4.430 -0.205 6.296 . . . 1.0 . . . . . . . . . . . . A . 9 LYS NZ . . . . . . . . . rr_2dx3 1 . 9 . 2525 . 1 1 9 LYS O O 1.068 1.366 2.386 . . . 1.0 . . . . . . . . . . . . A . 9 LYS O . . . . . . . . . rr_2dx3 1 . 9 . 2526 . 1 1 10 ALA C C 3.486 0.342 0.560 . . . 1.0 . . . . . . . . . . . . A . 10 ALA C . . . . . . . . . rr_2dx3 1 . 9 . 2527 . 1 1 10 ALA CA C 3.027 -0.500 1.751 . . . 1.0 . . . . . . . . . . . . A . 10 ALA CA . . . . . . . . . rr_2dx3 1 . 9 . 2528 . 1 1 10 ALA CB C 3.740 -1.853 1.818 . . . 1.0 . . . . . . . . . . . . A . 10 ALA CB . . . . . . . . . rr_2dx3 1 . 9 . 2529 . 1 1 10 ALA H H 1.317 -1.619 1.346 . . . 1.0 . . . . . . . . . . . . A . 10 ALA H . . . . . . . . . rr_2dx3 1 . 9 . 2530 . 1 1 10 ALA HA H 3.227 0.048 2.672 . . . 1.0 . . . . . . . . . . . . A . 10 ALA HA . . . . . . . . . rr_2dx3 1 . 9 . 2531 . 1 1 10 ALA HB1 H 4.539 -1.879 1.077 . . . 1.0 . . . . . . . . . . . . A . 10 ALA HB1 . . . . . . . . . rr_2dx3 1 . 9 . 2532 . 1 1 10 ALA HB2 H 4.162 -1.992 2.813 . . . 1.0 . . . . . . . . . . . . A . 10 ALA HB2 . . . . . . . . . rr_2dx3 1 . 9 . 2533 . 1 1 10 ALA HB3 H 3.026 -2.650 1.611 . . . 1.0 . . . . . . . . . . . . A . 10 ALA HB3 . . . . . . . . . rr_2dx3 1 . 9 . 2534 . 1 1 10 ALA N N 1.592 -0.712 1.665 . . . 1.0 . . . . . . . . . . . . A . 10 ALA N . . . . . . . . . rr_2dx3 1 . 9 . 2535 . 1 1 10 ALA O O 4.371 1.186 0.696 . . . 1.0 . . . . . . . . . . . . A . 10 ALA O . . . . . . . . . rr_2dx3 1 . 9 . 2536 . 1 1 11 GLY C C 2.424 2.126 -1.879 . . . 1.0 . . . . . . . . . . . . A . 11 GLY C . . . . . . . . . rr_2dx3 1 . 9 . 2537 . 1 1 11 GLY CA C 3.198 0.809 -1.796 . . . 1.0 . . . . . . . . . . . . A . 11 GLY CA . . . . . . . . . rr_2dx3 1 . 9 . 2538 . 1 1 11 GLY H H 2.146 -0.603 -0.684 . . . 1.0 . . . . . . . . . . . . A . 11 GLY H . . . . . . . . . rr_2dx3 1 . 9 . 2539 . 1 1 11 GLY HA2 H 4.269 1.010 -1.821 . . . 1.0 . . . . . . . . . . . . A . 11 GLY HA2 . . . . . . . . . rr_2dx3 1 . 9 . 2540 . 1 1 11 GLY HA3 H 2.969 0.193 -2.666 . . . 1.0 . . . . . . . . . . . . A . 11 GLY HA3 . . . . . . . . . rr_2dx3 1 . 9 . 2541 . 1 1 11 GLY N N 2.864 0.085 -0.581 . . . 1.0 . . . . . . . . . . . . A . 11 GLY N . . . . . . . . . rr_2dx3 1 . 9 . 2542 . 1 1 11 GLY O O 2.364 2.749 -2.938 . . . 1.0 . . . . . . . . . . . . A . 11 GLY O . . . . . . . . . rr_2dx3 1 . 9 . 2543 . 1 1 12 TYR C C 1.987 4.935 -0.360 . . . 1.0 . . . . . . . . . . . . A . 12 TYR C . . . . . . . . . rr_2dx3 1 . 9 . 2544 . 1 1 12 TYR CA C 1.083 3.743 -0.680 . . . 1.0 . . . . . . . . . . . . A . 12 TYR CA . . . . . . . . . rr_2dx3 1 . 9 . 2545 . 1 1 12 TYR CB C 0.084 3.554 0.464 . . . 1.0 . . . . . . . . . . . . A . 12 TYR CB . . . . . . . . . rr_2dx3 1 . 9 . 2546 . 1 1 12 TYR CD1 C 1.987 3.727 2.109 . . . 1.0 . . . . . . . . . . . . A . 12 TYR CD1 . . . . . . . . . rr_2dx3 1 . 9 . 2547 . 1 1 12 TYR CD2 C -0.193 4.400 2.823 . . . 1.0 . . . . . . . . . . . . A . 12 TYR CD2 . . . . . . . . . rr_2dx3 1 . 9 . 2548 . 1 1 12 TYR CE1 C 2.514 4.057 3.408 . . . 1.0 . . . . . . . . . . . . A . 12 TYR CE1 . . . . . . . . . rr_2dx3 1 . 9 . 2549 . 1 1 12 TYR CE2 C 0.334 4.730 4.122 . . . 1.0 . . . . . . . . . . . . A . 12 TYR CE2 . . . . . . . . . rr_2dx3 1 . 9 . 2550 . 1 1 12 TYR CG C 0.644 3.905 1.844 . . . 1.0 . . . . . . . . . . . . A . 12 TYR CG . . . . . . . . . rr_2dx3 1 . 9 . 2551 . 1 1 12 TYR CZ C 1.662 4.542 4.350 . . . 1.0 . . . . . . . . . . . . A . 12 TYR CZ . . . . . . . . . rr_2dx3 1 . 9 . 2552 . 1 1 12 TYR H H 1.905 1.999 0.109 . . . 1.0 . . . . . . . . . . . . A . 12 TYR H . . . . . . . . . rr_2dx3 1 . 9 . 2553 . 1 1 12 TYR HA H 0.615 3.902 -1.651 . . . 1.0 . . . . . . . . . . . . A . 12 TYR HA . . . . . . . . . rr_2dx3 1 . 9 . 2554 . 1 1 12 TYR HB2 H -0.793 4.172 0.271 . . . 1.0 . . . . . . . . . . . . A . 12 TYR HB2 . . . . . . . . . rr_2dx3 1 . 9 . 2555 . 1 1 12 TYR HB3 H -0.251 2.518 0.472 . . . 1.0 . . . . . . . . . . . . A . 12 TYR HB3 . . . . . . . . . rr_2dx3 1 . 9 . 2556 . 1 1 12 TYR HD1 H 2.648 3.336 1.336 . . . 1.0 . . . . . . . . . . . . A . 12 TYR HD1 . . . . . . . . . rr_2dx3 1 . 9 . 2557 . 1 1 12 TYR HD2 H -1.253 4.540 2.613 . . . 1.0 . . . . . . . . . . . . A . 12 TYR HD2 . . . . . . . . . rr_2dx3 1 . 9 . 2558 . 1 1 12 TYR HE1 H 3.572 3.921 3.631 . . . 1.0 . . . . . . . . . . . . A . 12 TYR HE1 . . . . . . . . . rr_2dx3 1 . 9 . 2559 . 1 1 12 TYR HE2 H -0.316 5.121 4.904 . . . 1.0 . . . . . . . . . . . . A . 12 TYR HE2 . . . . . . . . . rr_2dx3 1 . 9 . 2560 . 1 1 12 TYR HH H 1.768 4.247 6.269 . . . 1.0 . . . . . . . . . . . . A . 12 TYR HH . . . . . . . . . rr_2dx3 1 . 9 . 2561 . 1 1 12 TYR N N 1.851 2.511 -0.748 . . . 1.0 . . . . . . . . . . . . A . 12 TYR N . . . . . . . . . rr_2dx3 1 . 9 . 2562 . 1 1 12 TYR O O 1.507 5.989 0.054 . . . 1.0 . . . . . . . . . . . . A . 12 TYR O . . . . . . . . . rr_2dx3 1 . 9 . 2563 . 1 1 12 TYR OH O 2.159 4.854 5.577 . . . 1.0 . . . . . . . . . . . . A . 12 TYR OH . . . . . . . . . rr_2dx3 1 . 9 . 2564 . 1 1 13 ILE C C 4.378 6.671 -1.535 . . . 1.0 . . . . . . . . . . . . A . 13 ILE C . . . . . . . . . rr_2dx3 1 . 9 . 2565 . 1 1 13 ILE CA C 4.255 5.774 -0.302 . . . 1.0 . . . . . . . . . . . . A . 13 ILE CA . . . . . . . . . rr_2dx3 1 . 9 . 2566 . 1 1 13 ILE CB C 5.584 5.165 0.150 . . . 1.0 . . . . . . . . . . . . A . 13 ILE CB . . . . . . . . . rr_2dx3 1 . 9 . 2567 . 1 1 13 ILE CD1 C 5.815 3.473 -1.706 . . . 1.0 . . . . . . . . . . . . A . 13 ILE CD1 . . . . . . . . . rr_2dx3 1 . 9 . 2568 . 1 1 13 ILE CG1 C 6.419 4.717 -1.051 . . . 1.0 . . . . . . . . . . . . A . 13 ILE CG1 . . . . . . . . . rr_2dx3 1 . 9 . 2569 . 1 1 13 ILE CG2 C 5.355 4.026 1.145 . . . 1.0 . . . . . . . . . . . . A . 13 ILE CG2 . . . . . . . . . rr_2dx3 1 . 9 . 2570 . 1 1 13 ILE H H 3.662 3.868 -0.901 . . . 1.0 . . . . . . . . . . . . A . 13 ILE H . . . . . . . . . rr_2dx3 1 . 9 . 2571 . 1 1 13 ILE HA H 3.877 6.374 0.526 . . . 1.0 . . . . . . . . . . . . A . 13 ILE HA . . . . . . . . . rr_2dx3 1 . 9 . 2572 . 1 1 13 ILE HB H 6.154 5.936 0.669 . . . 1.0 . . . . . . . . . . . . A . 13 ILE HB . . . . . . . . . rr_2dx3 1 . 9 . 2573 . 1 1 13 ILE HD11 H 5.467 2.788 -0.933 . . . 1.0 . . . . . . . . . . . . A . 13 ILE HD11 . . . . . . . . . rr_2dx3 1 . 9 . 2574 . 1 1 13 ILE HD12 H 4.976 3.766 -2.337 . . . 1.0 . . . . . . . . . . . . A . 13 ILE HD12 . . . . . . . . . rr_2dx3 1 . 9 . 2575 . 1 1 13 ILE HD13 H 6.572 2.980 -2.315 . . . 1.0 . . . . . . . . . . . . A . 13 ILE HD13 . . . . . . . . . rr_2dx3 1 . 9 . 2576 . 1 1 13 ILE HG12 H 6.476 5.525 -1.780 . . . 1.0 . . . . . . . . . . . . A . 13 ILE HG12 . . . . . . . . . rr_2dx3 1 . 9 . 2577 . 1 1 13 ILE HG13 H 7.439 4.505 -0.731 . . . 1.0 . . . . . . . . . . . . A . 13 ILE HG13 . . . . . . . . . rr_2dx3 1 . 9 . 2578 . 1 1 13 ILE HG21 H 4.565 3.373 0.774 . . . 1.0 . . . . . . . . . . . . A . 13 ILE HG21 . . . . . . . . . rr_2dx3 1 . 9 . 2579 . 1 1 13 ILE HG22 H 6.275 3.453 1.261 . . . 1.0 . . . . . . . . . . . . A . 13 ILE HG22 . . . . . . . . . rr_2dx3 1 . 9 . 2580 . 1 1 13 ILE HG23 H 5.061 4.440 2.110 . . . 1.0 . . . . . . . . . . . . A . 13 ILE HG23 . . . . . . . . . rr_2dx3 1 . 9 . 2581 . 1 1 13 ILE N N 3.280 4.729 -0.564 . . . 1.0 . . . . . . . . . . . . A . 13 ILE N . . . . . . . . . rr_2dx3 1 . 9 . 2582 . 1 1 13 ILE O O 4.830 7.811 -1.435 . . . 1.0 . . . . . . . . . . . . A . 13 ILE O . . . . . . . . . rr_2dx3 1 . 9 . 2583 . 1 1 14 VAL C C 3.235 8.161 -3.779 . . . 1.0 . . . . . . . . . . . . A . 14 VAL C . . . . . . . . . rr_2dx3 1 . 9 . 2584 . 1 1 14 VAL CA C 4.026 6.860 -3.921 . . . 1.0 . . . . . . . . . . . . A . 14 VAL CA . . . . . . . . . rr_2dx3 1 . 9 . 2585 . 1 1 14 VAL CB C 3.529 5.980 -5.070 . . . 1.0 . . . . . . . . . . . . A . 14 VAL CB . . . . . . . . . rr_2dx3 1 . 9 . 2586 . 1 1 14 VAL CG1 C 3.439 6.778 -6.372 . . . 1.0 . . . . . . . . . . . . A . 14 VAL CG1 . . . . . . . . . rr_2dx3 1 . 9 . 2587 . 1 1 14 VAL CG2 C 4.420 4.748 -5.242 . . . 1.0 . . . . . . . . . . . . A . 14 VAL CG2 . . . . . . . . . rr_2dx3 1 . 9 . 2588 . 1 1 14 VAL H H 3.602 5.195 -2.742 . . . 1.0 . . . . . . . . . . . . A . 14 VAL H . . . . . . . . . rr_2dx3 1 . 9 . 2589 . 1 1 14 VAL HA H 5.072 7.104 -4.110 . . . 1.0 . . . . . . . . . . . . A . 14 VAL HA . . . . . . . . . rr_2dx3 1 . 9 . 2590 . 1 1 14 VAL HB H 2.526 5.635 -4.818 . . . 1.0 . . . . . . . . . . . . A . 14 VAL HB . . . . . . . . . rr_2dx3 1 . 9 . 2591 . 1 1 14 VAL HG11 H 3.806 6.169 -7.198 . . . 1.0 . . . . . . . . . . . . A . 14 VAL HG11 . . . . . . . . . rr_2dx3 1 . 9 . 2592 . 1 1 14 VAL HG12 H 2.401 7.055 -6.557 . . . 1.0 . . . . . . . . . . . . A . 14 VAL HG12 . . . . . . . . . rr_2dx3 1 . 9 . 2593 . 1 1 14 VAL HG13 H 4.047 7.680 -6.288 . . . 1.0 . . . . . . . . . . . . A . 14 VAL HG13 . . . . . . . . . rr_2dx3 1 . 9 . 2594 . 1 1 14 VAL HG21 H 4.249 4.311 -6.226 . . . 1.0 . . . . . . . . . . . . A . 14 VAL HG21 . . . . . . . . . rr_2dx3 1 . 9 . 2595 . 1 1 14 VAL HG22 H 5.466 5.041 -5.151 . . . 1.0 . . . . . . . . . . . . A . 14 VAL HG22 . . . . . . . . . rr_2dx3 1 . 9 . 2596 . 1 1 14 VAL HG23 H 4.180 4.015 -4.472 . . . 1.0 . . . . . . . . . . . . A . 14 VAL HG23 . . . . . . . . . rr_2dx3 1 . 9 . 2597 . 1 1 14 VAL N N 3.968 6.123 -2.670 . . . 1.0 . . . . . . . . . . . . A . 14 VAL N . . . . . . . . . rr_2dx3 1 . 9 . 2598 . 1 1 14 VAL O O 3.410 9.088 -4.568 . . . 1.0 . . . . . . . . . . . . A . 14 VAL O . . . . . . . . . rr_2dx3 1 . 9 . 2599 . 1 1 15 HIS C C 1.907 9.940 -1.137 . . . 1.0 . . . . . . . . . . . . A . 15 HIS C . . . . . . . . . rr_2dx3 1 . 9 . 2600 . 1 1 15 HIS CA C 1.561 9.362 -2.511 . . . 1.0 . . . . . . . . . . . . A . 15 HIS CA . . . . . . . . . rr_2dx3 1 . 9 . 2601 . 1 1 15 HIS CB C 0.075 9.029 -2.656 . . . 1.0 . . . . . . . . . . . . A . 15 HIS CB . . . . . . . . . rr_2dx3 1 . 9 . 2602 . 1 1 15 HIS CD2 C 0.173 6.427 -2.887 . . . 1.0 . . . . . . . . . . . . A . 15 HIS CD2 . . . . . . . . . rr_2dx3 1 . 9 . 2603 . 1 1 15 HIS CE1 C -0.979 6.234 -4.736 . . . 1.0 . . . . . . . . . . . . A . 15 HIS CE1 . . . . . . . . . rr_2dx3 1 . 9 . 2604 . 1 1 15 HIS CG C -0.194 7.680 -3.280 . . . 1.0 . . . . . . . . . . . . A . 15 HIS CG . . . . . . . . . rr_2dx3 1 . 9 . 2605 . 1 1 15 HIS H H 2.244 7.431 -2.129 . . . 1.0 . . . . . . . . . . . . A . 15 HIS H . . . . . . . . . rr_2dx3 1 . 9 . 2606 . 1 1 15 HIS HA H 1.814 10.094 -3.278 . . . 1.0 . . . . . . . . . . . . A . 15 HIS HA . . . . . . . . . rr_2dx3 1 . 9 . 2607 . 1 1 15 HIS HB2 H -0.392 9.062 -1.672 . . . 1.0 . . . . . . . . . . . . A . 15 HIS HB2 . . . . . . . . . rr_2dx3 1 . 9 . 2608 . 1 1 15 HIS HB3 H -0.402 9.799 -3.262 . . . 1.0 . . . . . . . . . . . . A . 15 HIS HB3 . . . . . . . . . rr_2dx3 1 . 9 . 2609 . 1 1 15 HIS HD1 H -1.326 8.264 -4.986 . . . 1.0 . . . . . . . . . . . . A . 15 HIS HD1 . . . . . . . . . rr_2dx3 1 . 9 . 2610 . 1 1 15 HIS HD2 H 0.758 6.183 -1.999 . . . 1.0 . . . . . . . . . . . . A . 15 HIS HD2 . . . . . . . . . rr_2dx3 1 . 9 . 2611 . 1 1 15 HIS HE1 H -1.482 5.792 -5.597 . . . 1.0 . . . . . . . . . . . . A . 15 HIS HE1 . . . . . . . . . rr_2dx3 1 . 9 . 2612 . 1 1 15 HIS HE2 H -0.137 4.568 -3.756 . . . 1.0 . . . . . . . . . . . . A . 15 HIS HE2 . . . . . . . . . rr_2dx3 1 . 9 . 2613 . 1 1 15 HIS N N 2.380 8.189 -2.766 . . . 1.0 . . . . . . . . . . . . A . 15 HIS N . . . . . . . . . rr_2dx3 1 . 9 . 2614 . 1 1 15 HIS ND1 N -0.918 7.526 -4.449 . . . 1.0 . . . . . . . . . . . . A . 15 HIS ND1 . . . . . . . . . rr_2dx3 1 . 9 . 2615 . 1 1 15 HIS NE2 N -0.303 5.554 -3.766 . . . 1.0 . . . . . . . . . . . . A . 15 HIS NE2 . . . . . . . . . rr_2dx3 1 . 9 . 2616 . 1 1 15 HIS O O 1.949 11.157 -0.965 . . . 1.0 . . . . . . . . . . . . A . 15 HIS O . . . . . . . . . rr_2dx3 1 . 9 . 2617 . 1 1 16 TRP C C 3.829 10.180 1.107 . . . 1.0 . . . . . . . . . . . . A . 16 TRP C . . . . . . . . . rr_2dx3 1 . 9 . 2618 . 1 1 16 TRP CA C 2.488 9.445 1.158 . . . 1.0 . . . . . . . . . . . . A . 16 TRP CA . . . . . . . . . rr_2dx3 1 . 9 . 2619 . 1 1 16 TRP CB C 2.500 8.243 2.104 . . . 1.0 . . . . . . . . . . . . A . 16 TRP CB . . . . . . . . . rr_2dx3 1 . 9 . 2620 . 1 1 16 TRP CD1 C 4.702 7.257 3.020 . . . 1.0 . . . . . . . . . . . . A . 16 TRP CD1 . . . . . . . . . rr_2dx3 1 . 9 . 2621 . 1 1 16 TRP CD2 C 4.080 9.115 4.053 . . . 1.0 . . . . . . . . . . . . A . 16 TRP CD2 . . . . . . . . . rr_2dx3 1 . 9 . 2622 . 1 1 16 TRP CE2 C 5.260 8.696 4.633 . . . 1.0 . . . . . . . . . . . . A . 16 TRP CE2 . . . . . . . . . rr_2dx3 1 . 9 . 2623 . 1 1 16 TRP CE3 C 3.422 10.279 4.489 . . . 1.0 . . . . . . . . . . . . A . 16 TRP CE3 . . . . . . . . . rr_2dx3 1 . 9 . 2624 . 1 1 16 TRP CG C 3.729 8.178 3.013 . . . 1.0 . . . . . . . . . . . . A . 16 TRP CG . . . . . . . . . rr_2dx3 1 . 9 . 2625 . 1 1 16 TRP CH2 C 5.247 10.543 6.132 . . . 1.0 . . . . . . . . . . . . A . 16 TRP CH2 . . . . . . . . . rr_2dx3 1 . 9 . 2626 . 1 1 16 TRP CZ2 C 5.885 9.381 5.681 . . . 1.0 . . . . . . . . . . . . A . 16 TRP CZ2 . . . . . . . . . rr_2dx3 1 . 9 . 2627 . 1 1 16 TRP CZ3 C 4.059 10.952 5.538 . . . 1.0 . . . . . . . . . . . . A . 16 TRP CZ3 . . . . . . . . . rr_2dx3 1 . 9 . 2628 . 1 1 16 TRP H H 2.110 8.052 -0.344 . . . 1.0 . . . . . . . . . . . . A . 16 TRP H . . . . . . . . . rr_2dx3 1 . 9 . 2629 . 1 1 16 TRP HA H 1.707 10.119 1.511 . . . 1.0 . . . . . . . . . . . . A . 16 TRP HA . . . . . . . . . rr_2dx3 1 . 9 . 2630 . 1 1 16 TRP HB2 H 1.604 8.273 2.724 . . . 1.0 . . . . . . . . . . . . A . 16 TRP HB2 . . . . . . . . . rr_2dx3 1 . 9 . 2631 . 1 1 16 TRP HB3 H 2.448 7.328 1.513 . . . 1.0 . . . . . . . . . . . . A . 16 TRP HB3 . . . . . . . . . rr_2dx3 1 . 9 . 2632 . 1 1 16 TRP HD1 H 4.739 6.399 2.348 . . . 1.0 . . . . . . . . . . . . A . 16 TRP HD1 . . . . . . . . . rr_2dx3 1 . 9 . 2633 . 1 1 16 TRP HE1 H 6.541 6.939 4.199 . . . 1.0 . . . . . . . . . . . . A . 16 TRP HE1 . . . . . . . . . rr_2dx3 1 . 9 . 2634 . 1 1 16 TRP HE3 H 2.490 10.631 4.047 . . . 1.0 . . . . . . . . . . . . A . 16 TRP HE3 . . . . . . . . . rr_2dx3 1 . 9 . 2635 . 1 1 16 TRP HH2 H 5.681 11.125 6.946 . . . 1.0 . . . . . . . . . . . . A . 16 TRP HH2 . . . . . . . . . rr_2dx3 1 . 9 . 2636 . 1 1 16 TRP HZ2 H 6.817 9.029 6.123 . . . 1.0 . . . . . . . . . . . . A . 16 TRP HZ2 . . . . . . . . . rr_2dx3 1 . 9 . 2637 . 1 1 16 TRP HZ3 H 3.591 11.862 5.915 . . . 1.0 . . . . . . . . . . . . A . 16 TRP HZ3 . . . . . . . . . rr_2dx3 1 . 9 . 2638 . 1 1 16 TRP N N 2.147 9.040 -0.195 . . . 1.0 . . . . . . . . . . . . A . 16 TRP N . . . . . . . . . rr_2dx3 1 . 9 . 2639 . 1 1 16 TRP NE1 N 5.650 7.530 3.985 . . . 1.0 . . . . . . . . . . . . A . 16 TRP NE1 . . . . . . . . . rr_2dx3 1 . 9 . 2640 . 1 1 16 TRP O O 3.871 11.408 1.159 . . . 1.0 . . . . . . . . . . . . A . 16 TRP O . . . . . . . . . rr_2dx3 1 . 9 . 2641 . 1 1 17 THR C C 7.168 9.023 0.177 . . . 1.0 . . . . . . . . . . . . A . 17 THR C . . . . . . . . . rr_2dx3 1 . 9 . 2642 . 1 1 17 THR CA C 6.232 9.957 0.948 . . . 1.0 . . . . . . . . . . . . A . 17 THR CA . . . . . . . . . rr_2dx3 1 . 9 . 2643 . 1 1 17 THR CB C 6.693 10.231 2.381 . . . 1.0 . . . . . . . . . . . . A . 17 THR CB . . . . . . . . . rr_2dx3 1 . 9 . 2644 . 1 1 17 THR CG2 C 7.607 9.130 2.923 . . . 1.0 . . . . . . . . . . . . A . 17 THR CG2 . . . . . . . . . rr_2dx3 1 . 9 . 2645 . 1 1 17 THR H H 4.850 8.398 0.965 . . . 1.0 . . . . . . . . . . . . A . 17 THR H . . . . . . . . . rr_2dx3 1 . 9 . 2646 . 1 1 17 THR HA H 6.188 10.894 0.395 . . . 1.0 . . . . . . . . . . . . A . 17 THR HA . . . . . . . . . rr_2dx3 1 . 9 . 2647 . 1 1 17 THR HB H 5.839 10.388 3.041 . . . 1.0 . . . . . . . . . . . . A . 17 THR HB . . . . . . . . . rr_2dx3 1 . 9 . 2648 . 1 1 17 THR HG1 H 7.967 11.572 3.144 . . . 1.0 . . . . . . . . . . . . A . 17 THR HG1 . . . . . . . . . rr_2dx3 1 . 9 . 2649 . 1 1 17 THR HG21 H 8.636 9.334 2.628 . . . 1.0 . . . . . . . . . . . . A . 17 THR HG21 . . . . . . . . . rr_2dx3 1 . 9 . 2650 . 1 1 17 THR HG22 H 7.540 9.104 4.011 . . . 1.0 . . . . . . . . . . . . A . 17 THR HG22 . . . . . . . . . rr_2dx3 1 . 9 . 2651 . 1 1 17 THR HG23 H 7.297 8.167 2.517 . . . 1.0 . . . . . . . . . . . . A . 17 THR HG23 . . . . . . . . . rr_2dx3 1 . 9 . 2652 . 1 1 17 THR N N 4.893 9.396 1.007 . . . 1.0 . . . . . . . . . . . . A . 17 THR N . . . . . . . . . rr_2dx3 1 . 9 . 2653 . 1 1 17 THR O O 6.816 7.878 -0.102 . . . 1.0 . . . . . . . . . . . . A . 17 THR O . . . . . . . . . rr_2dx3 1 . 9 . 2654 . 1 1 17 THR OG1 O 7.548 11.364 2.261 . . . 1.0 . . . . . . . . . . . . A . 17 THR OG1 . . . . . . . . . rr_2dx3 1 . 9 . 2655 . 1 1 18 ALA C C 10.540 9.662 -1.181 . . . 1.0 . . . . . . . . . . . . A . 18 ALA C . . . . . . . . . rr_2dx3 1 . 9 . 2656 . 1 1 18 ALA CA C 9.330 8.776 -0.878 . . . 1.0 . . . . . . . . . . . . A . 18 ALA CA . . . . . . . . . rr_2dx3 1 . 9 . 2657 . 1 1 18 ALA CB C 8.693 8.205 -2.147 . . . 1.0 . . . . . . . . . . . . A . 18 ALA CB . . . . . . . . . rr_2dx3 1 . 9 . 2658 . 1 1 18 ALA H H 8.619 10.480 0.086 . . . 1.0 . . . . . . . . . . . . A . 18 ALA H . . . . . . . . . rr_2dx3 1 . 9 . 2659 . 1 1 18 ALA HA H 9.645 7.950 -0.241 . . . 1.0 . . . . . . . . . . . . A . 18 ALA HA . . . . . . . . . rr_2dx3 1 . 9 . 2660 . 1 1 18 ALA HB1 H 8.017 7.393 -1.880 . . . 1.0 . . . . . . . . . . . . A . 18 ALA HB1 . . . . . . . . . rr_2dx3 1 . 9 . 2661 . 1 1 18 ALA HB2 H 8.136 8.989 -2.659 . . . 1.0 . . . . . . . . . . . . A . 18 ALA HB2 . . . . . . . . . rr_2dx3 1 . 9 . 2662 . 1 1 18 ALA HB3 H 9.474 7.825 -2.806 . . . 1.0 . . . . . . . . . . . . A . 18 ALA HB3 . . . . . . . . . rr_2dx3 1 . 9 . 2663 . 1 1 18 ALA N N 8.341 9.548 -0.145 . . . 1.0 . . . . . . . . . . . . A . 18 ALA N . . . . . . . . . rr_2dx3 1 . 9 . 2664 . 1 1 18 ALA O O 10.932 9.809 -2.338 . . . 1.0 . . . . . . . . . . . . A . 18 ALA O . . . . . . . . . rr_2dx3 1 . 10 . 2665 . 1 1 1 ILE C C -5.293 -10.560 2.404 . . . 1.0 . . . . . . . . . . . . A . 1 ILE C . . . . . . . . . rr_2dx3 1 . 10 . 2666 . 1 1 1 ILE CA C -4.600 -11.422 3.462 . . . 1.0 . . . . . . . . . . . . A . 1 ILE CA . . . . . . . . . rr_2dx3 1 . 10 . 2667 . 1 1 1 ILE CB C -3.857 -10.611 4.525 . . . 1.0 . . . . . . . . . . . . A . 1 ILE CB . . . . . . . . . rr_2dx3 1 . 10 . 2668 . 1 1 1 ILE CD1 C -1.950 -11.067 6.111 . . . 1.0 . . . . . . . . . . . . A . 1 ILE CD1 . . . . . . . . . rr_2dx3 1 . 10 . 2669 . 1 1 1 ILE CG1 C -3.334 -11.518 5.640 . . . 1.0 . . . . . . . . . . . . A . 1 ILE CG1 . . . . . . . . . rr_2dx3 1 . 10 . 2670 . 1 1 1 ILE CG2 C -4.737 -9.483 5.068 . . . 1.0 . . . . . . . . . . . . A . 1 ILE CG2 . . . . . . . . . rr_2dx3 1 . 10 . 2671 . 1 1 1 ILE H1 H -2.925 -11.927 2.331 . . . 1.0 . . . . . . . . . . . . A . 1 ILE H1 . . . . . . . . . rr_2dx3 1 . 10 . 2672 . 1 1 1 ILE HA H -5.358 -12.012 3.977 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HA . . . . . . . . . rr_2dx3 1 . 10 . 2673 . 1 1 1 ILE HB H -2.990 -10.145 4.056 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HB . . . . . . . . . rr_2dx3 1 . 10 . 2674 . 1 1 1 ILE HD11 H -2.056 -10.410 6.974 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HD11 . . . . . . . . . rr_2dx3 1 . 10 . 2675 . 1 1 1 ILE HD12 H -1.358 -11.939 6.389 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HD12 . . . . . . . . . rr_2dx3 1 . 10 . 2676 . 1 1 1 ILE HD13 H -1.450 -10.529 5.305 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HD13 . . . . . . . . . rr_2dx3 1 . 10 . 2677 . 1 1 1 ILE HG12 H -4.029 -11.506 6.480 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HG12 . . . . . . . . . rr_2dx3 1 . 10 . 2678 . 1 1 1 ILE HG13 H -3.283 -12.547 5.284 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HG13 . . . . . . . . . rr_2dx3 1 . 10 . 2679 . 1 1 1 ILE HG21 H -5.774 -9.817 5.105 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HG21 . . . . . . . . . rr_2dx3 1 . 10 . 2680 . 1 1 1 ILE HG22 H -4.405 -9.215 6.072 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HG22 . . . . . . . . . rr_2dx3 1 . 10 . 2681 . 1 1 1 ILE HG23 H -4.658 -8.614 4.415 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HG23 . . . . . . . . . rr_2dx3 1 . 10 . 2682 . 1 1 1 ILE N N -3.696 -12.351 2.806 . . . 1.0 . . . . . . . . . . . . A . 1 ILE N . . . . . . . . . rr_2dx3 1 . 10 . 2683 . 1 1 1 ILE O O -6.519 -10.452 2.392 . . . 1.0 . . . . . . . . . . . . A . 1 ILE O . . . . . . . . . rr_2dx3 1 . 10 . 2684 . 1 1 2 ASN C C -3.833 -8.439 -0.237 . . . 1.0 . . . . . . . . . . . . A . 2 ASN C . . . . . . . . . rr_2dx3 1 . 10 . 2685 . 1 1 2 ASN CA C -4.999 -9.121 0.483 . . . 1.0 . . . . . . . . . . . . A . 2 ASN CA . . . . . . . . . rr_2dx3 1 . 10 . 2686 . 1 1 2 ASN CB C -5.909 -8.029 1.049 . . . 1.0 . . . . . . . . . . . . A . 2 ASN CB . . . . . . . . . rr_2dx3 1 . 10 . 2687 . 1 1 2 ASN CG C -7.128 -7.811 0.149 . . . 1.0 . . . . . . . . . . . . A . 2 ASN CG . . . . . . . . . rr_2dx3 1 . 10 . 2688 . 1 1 2 ASN H H -3.484 -10.063 1.558 . . . 1.0 . . . . . . . . . . . . A . 2 ASN H . . . . . . . . . rr_2dx3 1 . 10 . 2689 . 1 1 2 ASN HA H -5.559 -9.790 -0.171 . . . 1.0 . . . . . . . . . . . . A . 2 ASN HA . . . . . . . . . rr_2dx3 1 . 10 . 2690 . 1 1 2 ASN HB2 H -6.237 -8.307 2.050 . . . 1.0 . . . . . . . . . . . . A . 2 ASN HB2 . . . . . . . . . rr_2dx3 1 . 10 . 2691 . 1 1 2 ASN HB3 H -5.351 -7.098 1.143 . . . 1.0 . . . . . . . . . . . . A . 2 ASN HB3 . . . . . . . . . rr_2dx3 1 . 10 . 2692 . 1 1 2 ASN HD21 H -8.314 -8.250 1.730 . . . 1.0 . . . . . . . . . . . . A . 2 ASN HD21 . . . . . . . . . rr_2dx3 1 . 10 . 2693 . 1 1 2 ASN HD22 H -9.148 -7.873 0.259 . . . 1.0 . . . . . . . . . . . . A . 2 ASN HD22 . . . . . . . . . rr_2dx3 1 . 10 . 2694 . 1 1 2 ASN N N -4.479 -9.970 1.542 . . . 1.0 . . . . . . . . . . . . A . 2 ASN N . . . . . . . . . rr_2dx3 1 . 10 . 2695 . 1 1 2 ASN ND2 N -8.293 -7.993 0.763 . . . 1.0 . . . . . . . . . . . . A . 2 ASN ND2 . . . . . . . . . rr_2dx3 1 . 10 . 2696 . 1 1 2 ASN O O -2.779 -8.215 0.356 . . . 1.0 . . . . . . . . . . . . A . 2 ASN O . . . . . . . . . rr_2dx3 1 . 10 . 2697 . 1 1 2 ASN OD1 O -7.017 -7.497 -1.025 . . . 1.0 . . . . . . . . . . . . A . 2 ASN OD1 . . . . . . . . . rr_2dx3 1 . 10 . 2698 . 1 1 3 TYR C C -3.290 -5.969 -2.389 . . . 1.0 . . . . . . . . . . . . A . 3 TYR C . . . . . . . . . rr_2dx3 1 . 10 . 2699 . 1 1 3 TYR CA C -3.045 -7.477 -2.311 . . . 1.0 . . . . . . . . . . . . A . 3 TYR CA . . . . . . . . . rr_2dx3 1 . 10 . 2700 . 1 1 3 TYR CB C -3.170 -8.076 -3.713 . . . 1.0 . . . . . . . . . . . . A . 3 TYR CB . . . . . . . . . rr_2dx3 1 . 10 . 2701 . 1 1 3 TYR CD1 C -1.734 -6.665 -5.231 . . . 1.0 . . . . . . . . . . . . A . 3 TYR CD1 . . . . . . . . . rr_2dx3 1 . 10 . 2702 . 1 1 3 TYR CD2 C -1.017 -8.892 -4.740 . . . 1.0 . . . . . . . . . . . . A . 3 TYR CD2 . . . . . . . . . rr_2dx3 1 . 10 . 2703 . 1 1 3 TYR CE1 C -0.570 -6.473 -6.057 . . . 1.0 . . . . . . . . . . . . A . 3 TYR CE1 . . . . . . . . . rr_2dx3 1 . 10 . 2704 . 1 1 3 TYR CE2 C 0.147 -8.699 -5.565 . . . 1.0 . . . . . . . . . . . . A . 3 TYR CE2 . . . . . . . . . rr_2dx3 1 . 10 . 2705 . 1 1 3 TYR CG C -1.933 -7.871 -4.590 . . . 1.0 . . . . . . . . . . . . A . 3 TYR CG . . . . . . . . . rr_2dx3 1 . 10 . 2706 . 1 1 3 TYR CZ C 0.313 -7.499 -6.183 . . . 1.0 . . . . . . . . . . . . A . 3 TYR CZ . . . . . . . . . rr_2dx3 1 . 10 . 2707 . 1 1 3 TYR H H -4.923 -8.315 -1.979 . . . 1.0 . . . . . . . . . . . . A . 3 TYR H . . . . . . . . . rr_2dx3 1 . 10 . 2708 . 1 1 3 TYR HA H -2.077 -7.656 -1.841 . . . 1.0 . . . . . . . . . . . . A . 3 TYR HA . . . . . . . . . rr_2dx3 1 . 10 . 2709 . 1 1 3 TYR HB2 H -3.367 -9.144 -3.624 . . . 1.0 . . . . . . . . . . . . A . 3 TYR HB2 . . . . . . . . . rr_2dx3 1 . 10 . 2710 . 1 1 3 TYR HB3 H -4.033 -7.633 -4.210 . . . 1.0 . . . . . . . . . . . . A . 3 TYR HB3 . . . . . . . . . rr_2dx3 1 . 10 . 2711 . 1 1 3 TYR HD1 H -2.458 -5.859 -5.113 . . . 1.0 . . . . . . . . . . . . A . 3 TYR HD1 . . . . . . . . . rr_2dx3 1 . 10 . 2712 . 1 1 3 TYR HD2 H -1.174 -9.844 -4.233 . . . 1.0 . . . . . . . . . . . . A . 3 TYR HD2 . . . . . . . . . rr_2dx3 1 . 10 . 2713 . 1 1 3 TYR HE1 H -0.401 -5.525 -6.569 . . . 1.0 . . . . . . . . . . . . A . 3 TYR HE1 . . . . . . . . . rr_2dx3 1 . 10 . 2714 . 1 1 3 TYR HE2 H 0.879 -9.497 -5.692 . . . 1.0 . . . . . . . . . . . . A . 3 TYR HE2 . . . . . . . . . rr_2dx3 1 . 10 . 2715 . 1 1 3 TYR HH H 1.229 -6.620 -7.656 . . . 1.0 . . . . . . . . . . . . A . 3 TYR HH . . . . . . . . . rr_2dx3 1 . 10 . 2716 . 1 1 3 TYR N N -4.062 -8.129 -1.504 . . . 1.0 . . . . . . . . . . . . A . 3 TYR N . . . . . . . . . rr_2dx3 1 . 10 . 2717 . 1 1 3 TYR O O -2.433 -5.220 -2.856 . . . 1.0 . . . . . . . . . . . . A . 3 TYR O . . . . . . . . . rr_2dx3 1 . 10 . 2718 . 1 1 3 TYR OH O 1.412 -7.317 -6.963 . . . 1.0 . . . . . . . . . . . . A . 3 TYR OH . . . . . . . . . rr_2dx3 1 . 10 . 2719 . 1 1 4 TRP C C -4.551 -3.588 -0.548 . . . 1.0 . . . . . . . . . . . . A . 4 TRP C . . . . . . . . . rr_2dx3 1 . 10 . 2720 . 1 1 4 TRP CA C -4.833 -4.162 -1.937 . . . 1.0 . . . . . . . . . . . . A . 4 TRP CA . . . . . . . . . rr_2dx3 1 . 10 . 2721 . 1 1 4 TRP CB C -6.288 -3.981 -2.375 . . . 1.0 . . . . . . . . . . . . A . 4 TRP CB . . . . . . . . . rr_2dx3 1 . 10 . 2722 . 1 1 4 TRP CD1 C -7.419 -5.190 -4.355 . . . 1.0 . . . . . . . . . . . . A . 4 TRP CD1 . . . . . . . . . rr_2dx3 1 . 10 . 2723 . 1 1 4 TRP CD2 C -5.870 -3.739 -4.987 . . . 1.0 . . . . . . . . . . . . A . 4 TRP CD2 . . . . . . . . . rr_2dx3 1 . 10 . 2724 . 1 1 4 TRP CE2 C -6.391 -4.310 -6.130 . . . 1.0 . . . . . . . . . . . . A . 4 TRP CE2 . . . . . . . . . rr_2dx3 1 . 10 . 2725 . 1 1 4 TRP CE3 C -4.855 -2.768 -5.050 . . . 1.0 . . . . . . . . . . . . A . 4 TRP CE3 . . . . . . . . . rr_2dx3 1 . 10 . 2726 . 1 1 4 TRP CG C -6.541 -4.315 -3.847 . . . 1.0 . . . . . . . . . . . . A . 4 TRP CG . . . . . . . . . rr_2dx3 1 . 10 . 2727 . 1 1 4 TRP CH2 C -4.950 -3.010 -7.507 . . . 1.0 . . . . . . . . . . . . A . 4 TRP CH2 . . . . . . . . . rr_2dx3 1 . 10 . 2728 . 1 1 4 TRP CZ2 C -5.960 -3.976 -7.419 . . . 1.0 . . . . . . . . . . . . A . 4 TRP CZ2 . . . . . . . . . rr_2dx3 1 . 10 . 2729 . 1 1 4 TRP CZ3 C -4.435 -2.444 -6.346 . . . 1.0 . . . . . . . . . . . . A . 4 TRP CZ3 . . . . . . . . . rr_2dx3 1 . 10 . 2730 . 1 1 4 TRP H H -5.156 -6.183 -1.547 . . . 1.0 . . . . . . . . . . . . A . 4 TRP H . . . . . . . . . rr_2dx3 1 . 10 . 2731 . 1 1 4 TRP HA H -4.213 -3.661 -2.681 . . . 1.0 . . . . . . . . . . . . A . 4 TRP HA . . . . . . . . . rr_2dx3 1 . 10 . 2732 . 1 1 4 TRP HB2 H -6.925 -4.612 -1.755 . . . 1.0 . . . . . . . . . . . . A . 4 TRP HB2 . . . . . . . . . rr_2dx3 1 . 10 . 2733 . 1 1 4 TRP HB3 H -6.586 -2.949 -2.191 . . . 1.0 . . . . . . . . . . . . A . 4 TRP HB3 . . . . . . . . . rr_2dx3 1 . 10 . 2734 . 1 1 4 TRP HD1 H -8.094 -5.802 -3.755 . . . 1.0 . . . . . . . . . . . . A . 4 TRP HD1 . . . . . . . . . rr_2dx3 1 . 10 . 2735 . 1 1 4 TRP HE1 H -7.970 -5.845 -6.390 . . . 1.0 . . . . . . . . . . . . A . 4 TRP HE1 . . . . . . . . . rr_2dx3 1 . 10 . 2736 . 1 1 4 TRP HE3 H -4.427 -2.302 -4.163 . . . 1.0 . . . . . . . . . . . . A . 4 TRP HE3 . . . . . . . . . rr_2dx3 1 . 10 . 2737 . 1 1 4 TRP HH2 H -4.569 -2.704 -8.481 . . . 1.0 . . . . . . . . . . . . A . 4 TRP HH2 . . . . . . . . . rr_2dx3 1 . 10 . 2738 . 1 1 4 TRP HZ2 H -6.388 -4.442 -8.307 . . . 1.0 . . . . . . . . . . . . A . 4 TRP HZ2 . . . . . . . . . rr_2dx3 1 . 10 . 2739 . 1 1 4 TRP HZ3 H -3.650 -1.696 -6.453 . . . 1.0 . . . . . . . . . . . . A . 4 TRP HZ3 . . . . . . . . . rr_2dx3 1 . 10 . 2740 . 1 1 4 TRP N N -4.464 -5.568 -1.925 . . . 1.0 . . . . . . . . . . . . A . 4 TRP N . . . . . . . . . rr_2dx3 1 . 10 . 2741 . 1 1 4 TRP NE1 N -7.363 -5.221 -5.733 . . . 1.0 . . . . . . . . . . . . A . 4 TRP NE1 . . . . . . . . . rr_2dx3 1 . 10 . 2742 . 1 1 4 TRP O O -4.099 -2.451 -0.422 . . . 1.0 . . . . . . . . . . . . A . 4 TRP O . . . . . . . . . rr_2dx3 1 . 10 . 2743 . 1 1 5 LEU C C -3.204 -4.397 2.272 . . . 1.0 . . . . . . . . . . . . A . 5 LEU C . . . . . . . . . rr_2dx3 1 . 10 . 2744 . 1 1 5 LEU CA C -4.613 -3.986 1.837 . . . 1.0 . . . . . . . . . . . . A . 5 LEU CA . . . . . . . . . rr_2dx3 1 . 10 . 2745 . 1 1 5 LEU CB C -5.719 -4.532 2.742 . . . 1.0 . . . . . . . . . . . . A . 5 LEU CB . . . . . . . . . rr_2dx3 1 . 10 . 2746 . 1 1 5 LEU CD1 C -7.207 -3.051 1.344 . . . 1.0 . . . . . . . . . . . . A . 5 LEU CD1 . . . . . . . . . rr_2dx3 1 . 10 . 2747 . 1 1 5 LEU CD2 C -7.785 -5.500 1.668 . . . 1.0 . . . . . . . . . . . . A . 5 LEU CD2 . . . . . . . . . rr_2dx3 1 . 10 . 2748 . 1 1 5 LEU CG C -7.154 -4.253 2.290 . . . 1.0 . . . . . . . . . . . . A . 5 LEU CG . . . . . . . . . rr_2dx3 1 . 10 . 2749 . 1 1 5 LEU H H -5.198 -5.323 0.351 . . . 1.0 . . . . . . . . . . . . A . 5 LEU H . . . . . . . . . rr_2dx3 1 . 10 . 2750 . 1 1 5 LEU HA H -4.679 -2.899 1.866 . . . 1.0 . . . . . . . . . . . . A . 5 LEU HA . . . . . . . . . rr_2dx3 1 . 10 . 2751 . 1 1 5 LEU HB2 H -5.590 -5.610 2.830 . . . 1.0 . . . . . . . . . . . . A . 5 LEU HB2 . . . . . . . . . rr_2dx3 1 . 10 . 2752 . 1 1 5 LEU HB3 H -5.585 -4.112 3.739 . . . 1.0 . . . . . . . . . . . . A . 5 LEU HB3 . . . . . . . . . rr_2dx3 1 . 10 . 2753 . 1 1 5 LEU HD11 H -6.866 -3.354 0.354 . . . 1.0 . . . . . . . . . . . . A . 5 LEU HD11 . . . . . . . . . rr_2dx3 1 . 10 . 2754 . 1 1 5 LEU HD12 H -8.231 -2.684 1.280 . . . 1.0 . . . . . . . . . . . . A . 5 LEU HD12 . . . . . . . . . rr_2dx3 1 . 10 . 2755 . 1 1 5 LEU HD13 H -6.561 -2.260 1.725 . . . 1.0 . . . . . . . . . . . . A . 5 LEU HD13 . . . . . . . . . rr_2dx3 1 . 10 . 2756 . 1 1 5 LEU HD21 H -7.346 -6.391 2.116 . . . 1.0 . . . . . . . . . . . . A . 5 LEU HD21 . . . . . . . . . rr_2dx3 1 . 10 . 2757 . 1 1 5 LEU HD22 H -8.860 -5.493 1.851 . . . 1.0 . . . . . . . . . . . . A . 5 LEU HD22 . . . . . . . . . rr_2dx3 1 . 10 . 2758 . 1 1 5 LEU HD23 H -7.599 -5.504 0.594 . . . 1.0 . . . . . . . . . . . . A . 5 LEU HD23 . . . . . . . . . rr_2dx3 1 . 10 . 2759 . 1 1 5 LEU HG H -7.745 -3.997 3.169 . . . 1.0 . . . . . . . . . . . . A . 5 LEU HG . . . . . . . . . rr_2dx3 1 . 10 . 2760 . 1 1 5 LEU N N -4.831 -4.400 0.461 . . . 1.0 . . . . . . . . . . . . A . 5 LEU N . . . . . . . . . rr_2dx3 1 . 10 . 2761 . 1 1 5 LEU O O -2.952 -4.603 3.458 . . . 1.0 . . . . . . . . . . . . A . 5 LEU O . . . . . . . . . rr_2dx3 1 . 10 . 2762 . 1 1 6 ALA C C -0.014 -4.073 0.656 . . . 1.0 . . . . . . . . . . . . A . 6 ALA C . . . . . . . . . rr_2dx3 1 . 10 . 2763 . 1 1 6 ALA CA C -0.948 -4.888 1.553 . . . 1.0 . . . . . . . . . . . . A . 6 ALA CA . . . . . . . . . rr_2dx3 1 . 10 . 2764 . 1 1 6 ALA CB C -0.787 -6.395 1.345 . . . 1.0 . . . . . . . . . . . . A . 6 ALA CB . . . . . . . . . rr_2dx3 1 . 10 . 2765 . 1 1 6 ALA H H -2.537 -4.336 0.325 . . . 1.0 . . . . . . . . . . . . A . 6 ALA H . . . . . . . . . rr_2dx3 1 . 10 . 2766 . 1 1 6 ALA HA H -0.733 -4.653 2.596 . . . 1.0 . . . . . . . . . . . . A . 6 ALA HA . . . . . . . . . rr_2dx3 1 . 10 . 2767 . 1 1 6 ALA HB1 H -0.900 -6.630 0.286 . . . 1.0 . . . . . . . . . . . . A . 6 ALA HB1 . . . . . . . . . rr_2dx3 1 . 10 . 2768 . 1 1 6 ALA HB2 H 0.202 -6.706 1.682 . . . 1.0 . . . . . . . . . . . . A . 6 ALA HB2 . . . . . . . . . rr_2dx3 1 . 10 . 2769 . 1 1 6 ALA HB3 H -1.549 -6.924 1.917 . . . 1.0 . . . . . . . . . . . . A . 6 ALA HB3 . . . . . . . . . rr_2dx3 1 . 10 . 2770 . 1 1 6 ALA N N -2.324 -4.505 1.287 . . . 1.0 . . . . . . . . . . . . A . 6 ALA N . . . . . . . . . rr_2dx3 1 . 10 . 2771 . 1 1 6 ALA O O 0.981 -3.523 1.127 . . . 1.0 . . . . . . . . . . . . A . 6 ALA O . . . . . . . . . rr_2dx3 1 . 10 . 2772 . 1 1 7 HIS C C -0.098 -1.849 -1.694 . . . 1.0 . . . . . . . . . . . . A . 7 HIS C . . . . . . . . . rr_2dx3 1 . 10 . 2773 . 1 1 7 HIS CA C 0.427 -3.282 -1.587 . . . 1.0 . . . . . . . . . . . . A . 7 HIS CA . . . . . . . . . rr_2dx3 1 . 10 . 2774 . 1 1 7 HIS CB C 0.454 -4.006 -2.934 . . . 1.0 . . . . . . . . . . . . A . 7 HIS CB . . . . . . . . . rr_2dx3 1 . 10 . 2775 . 1 1 7 HIS CD2 C 1.424 -6.163 -1.821 . . . 1.0 . . . . . . . . . . . . A . 7 HIS CD2 . . . . . . . . . rr_2dx3 1 . 10 . 2776 . 1 1 7 HIS CE1 C 1.972 -7.236 -3.647 . . . 1.0 . . . . . . . . . . . . A . 7 HIS CE1 . . . . . . . . . rr_2dx3 1 . 10 . 2777 . 1 1 7 HIS CG C 1.087 -5.376 -2.883 . . . 1.0 . . . . . . . . . . . . A . 7 HIS CG . . . . . . . . . rr_2dx3 1 . 10 . 2778 . 1 1 7 HIS H H -1.178 -4.471 -0.994 . . . 1.0 . . . . . . . . . . . . A . 7 HIS H . . . . . . . . . rr_2dx3 1 . 10 . 2779 . 1 1 7 HIS HA H 1.446 -3.259 -1.202 . . . 1.0 . . . . . . . . . . . . A . 7 HIS HA . . . . . . . . . rr_2dx3 1 . 10 . 2780 . 1 1 7 HIS HB2 H -0.567 -4.103 -3.303 . . . 1.0 . . . . . . . . . . . . A . 7 HIS HB2 . . . . . . . . . rr_2dx3 1 . 10 . 2781 . 1 1 7 HIS HB3 H 0.996 -3.393 -3.654 . . . 1.0 . . . . . . . . . . . . A . 7 HIS HB3 . . . . . . . . . rr_2dx3 1 . 10 . 2782 . 1 1 7 HIS HD1 H 1.327 -5.767 -4.963 . . . 1.0 . . . . . . . . . . . . A . 7 HIS HD1 . . . . . . . . . rr_2dx3 1 . 10 . 2783 . 1 1 7 HIS HD2 H 1.279 -5.912 -0.771 . . . 1.0 . . . . . . . . . . . . A . 7 HIS HD2 . . . . . . . . . rr_2dx3 1 . 10 . 2784 . 1 1 7 HIS HE1 H 2.350 -8.012 -4.313 . . . 1.0 . . . . . . . . . . . . A . 7 HIS HE1 . . . . . . . . . rr_2dx3 1 . 10 . 2785 . 1 1 7 HIS HE2 H 2.344 -8.020 -1.726 . . . 1.0 . . . . . . . . . . . . A . 7 HIS HE2 . . . . . . . . . rr_2dx3 1 . 10 . 2786 . 1 1 7 HIS N N -0.367 -4.021 -0.620 . . . 1.0 . . . . . . . . . . . . A . 7 HIS N . . . . . . . . . rr_2dx3 1 . 10 . 2787 . 1 1 7 HIS ND1 N 1.445 -6.079 -4.020 . . . 1.0 . . . . . . . . . . . . A . 7 HIS ND1 . . . . . . . . . rr_2dx3 1 . 10 . 2788 . 1 1 7 HIS NE2 N 1.957 -7.287 -2.284 . . . 1.0 . . . . . . . . . . . . A . 7 HIS NE2 . . . . . . . . . rr_2dx3 1 . 10 . 2789 . 1 1 7 HIS O O 0.682 -0.906 -1.816 . . . 1.0 . . . . . . . . . . . . A . 7 HIS O . . . . . . . . . rr_2dx3 1 . 10 . 2790 . 1 1 8 ALA C C -1.914 0.297 -0.394 . . . 1.0 . . . . . . . . . . . . A . 8 ALA C . . . . . . . . . rr_2dx3 1 . 10 . 2791 . 1 1 8 ALA CA C -2.055 -0.428 -1.734 . . . 1.0 . . . . . . . . . . . . A . 8 ALA CA . . . . . . . . . rr_2dx3 1 . 10 . 2792 . 1 1 8 ALA CB C -3.516 -0.603 -2.152 . . . 1.0 . . . . . . . . . . . . A . 8 ALA CB . . . . . . . . . rr_2dx3 1 . 10 . 2793 . 1 1 8 ALA H H -2.044 -2.503 -1.544 . . . 1.0 . . . . . . . . . . . . A . 8 ALA H . . . . . . . . . rr_2dx3 1 . 10 . 2794 . 1 1 8 ALA HA H -1.535 0.143 -2.503 . . . 1.0 . . . . . . . . . . . . A . 8 ALA HA . . . . . . . . . rr_2dx3 1 . 10 . 2795 . 1 1 8 ALA HB1 H -3.728 0.037 -3.008 . . . 1.0 . . . . . . . . . . . . A . 8 ALA HB1 . . . . . . . . . rr_2dx3 1 . 10 . 2796 . 1 1 8 ALA HB2 H -3.694 -1.644 -2.424 . . . 1.0 . . . . . . . . . . . . A . 8 ALA HB2 . . . . . . . . . rr_2dx3 1 . 10 . 2797 . 1 1 8 ALA HB3 H -4.167 -0.328 -1.322 . . . 1.0 . . . . . . . . . . . . A . 8 ALA HB3 . . . . . . . . . rr_2dx3 1 . 10 . 2798 . 1 1 8 ALA N N -1.416 -1.730 -1.644 . . . 1.0 . . . . . . . . . . . . A . 8 ALA N . . . . . . . . . rr_2dx3 1 . 10 . 2799 . 1 1 8 ALA O O -2.217 1.485 -0.293 . . . 1.0 . . . . . . . . . . . . A . 8 ALA O . . . . . . . . . rr_2dx3 1 . 10 . 2800 . 1 1 9 LYS C C 0.207 0.444 2.138 . . . 1.0 . . . . . . . . . . . . A . 9 LYS C . . . . . . . . . rr_2dx3 1 . 10 . 2801 . 1 1 9 LYS CA C -1.271 0.110 1.930 . . . 1.0 . . . . . . . . . . . . A . 9 LYS CA . . . . . . . . . rr_2dx3 1 . 10 . 2802 . 1 1 9 LYS CB C -1.843 -0.833 2.990 . . . 1.0 . . . . . . . . . . . . A . 9 LYS CB . . . . . . . . . rr_2dx3 1 . 10 . 2803 . 1 1 9 LYS CD C -2.550 -0.855 5.411 . . . 1.0 . . . . . . . . . . . . A . 9 LYS CD . . . . . . . . . rr_2dx3 1 . 10 . 2804 . 1 1 9 LYS CE C -2.110 0.004 6.598 . . . 1.0 . . . . . . . . . . . . A . 9 LYS CE . . . . . . . . . rr_2dx3 1 . 10 . 2805 . 1 1 9 LYS CG C -2.527 -0.048 4.111 . . . 1.0 . . . . . . . . . . . . A . 9 LYS CG . . . . . . . . . rr_2dx3 1 . 10 . 2806 . 1 1 9 LYS H H -1.211 -1.413 0.510 . . . 1.0 . . . . . . . . . . . . A . 9 LYS H . . . . . . . . . rr_2dx3 1 . 10 . 2807 . 1 1 9 LYS HA H -1.845 1.035 1.978 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HA . . . . . . . . . rr_2dx3 1 . 10 . 2808 . 1 1 9 LYS HB2 H -2.560 -1.513 2.529 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HB2 . . . . . . . . . rr_2dx3 1 . 10 . 2809 . 1 1 9 LYS HB3 H -1.044 -1.447 3.406 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HB3 . . . . . . . . . rr_2dx3 1 . 10 . 2810 . 1 1 9 LYS HD2 H -3.556 -1.238 5.587 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HD2 . . . . . . . . . rr_2dx3 1 . 10 . 2811 . 1 1 9 LYS HD3 H -1.892 -1.719 5.318 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HD3 . . . . . . . . . rr_2dx3 1 . 10 . 2812 . 1 1 9 LYS HE2 H -1.599 -0.617 7.334 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HE2 . . . . . . . . . rr_2dx3 1 . 10 . 2813 . 1 1 9 LYS HE3 H -1.395 0.756 6.265 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HE3 . . . . . . . . . rr_2dx3 1 . 10 . 2814 . 1 1 9 LYS HG2 H -2.001 0.893 4.273 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HG2 . . . . . . . . . rr_2dx3 1 . 10 . 2815 . 1 1 9 LYS HG3 H -3.545 0.203 3.816 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HG3 . . . . . . . . . rr_2dx3 1 . 10 . 2816 . 1 1 9 LYS HZ1 H -2.968 1.435 7.778 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HZ1 . . . . . . . . . rr_2dx3 1 . 10 . 2817 . 1 1 9 LYS HZ2 H -3.896 0.994 6.508 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HZ2 . . . . . . . . . rr_2dx3 1 . 10 . 2818 . 1 1 9 LYS HZ3 H -3.761 0.007 7.803 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HZ3 . . . . . . . . . rr_2dx3 1 . 10 . 2819 . 1 1 9 LYS N N -1.455 -0.448 0.601 . . . 1.0 . . . . . . . . . . . . A . 9 LYS N . . . . . . . . . rr_2dx3 1 . 10 . 2820 . 1 1 9 LYS NZ N -3.278 0.663 7.222 . . . 1.0 . . . . . . . . . . . . A . 9 LYS NZ . . . . . . . . . rr_2dx3 1 . 10 . 2821 . 1 1 9 LYS O O 0.544 1.550 2.558 . . . 1.0 . . . . . . . . . . . . A . 9 LYS O . . . . . . . . . rr_2dx3 1 . 10 . 2822 . 1 1 10 ALA C C 3.026 0.420 0.778 . . . 1.0 . . . . . . . . . . . . A . 10 ALA C . . . . . . . . . rr_2dx3 1 . 10 . 2823 . 1 1 10 ALA CA C 2.485 -0.354 1.982 . . . 1.0 . . . . . . . . . . . . A . 10 ALA CA . . . . . . . . . rr_2dx3 1 . 10 . 2824 . 1 1 10 ALA CB C 3.154 -1.720 2.145 . . . 1.0 . . . . . . . . . . . . A . 10 ALA CB . . . . . . . . . rr_2dx3 1 . 10 . 2825 . 1 1 10 ALA H H 0.768 -1.428 1.492 . . . 1.0 . . . . . . . . . . . . A . 10 ALA H . . . . . . . . . rr_2dx3 1 . 10 . 2826 . 1 1 10 ALA HA H 2.655 0.231 2.886 . . . 1.0 . . . . . . . . . . . . A . 10 ALA HA . . . . . . . . . rr_2dx3 1 . 10 . 2827 . 1 1 10 ALA HB1 H 4.029 -1.622 2.787 . . . 1.0 . . . . . . . . . . . . A . 10 ALA HB1 . . . . . . . . . rr_2dx3 1 . 10 . 2828 . 1 1 10 ALA HB2 H 2.449 -2.418 2.597 . . . 1.0 . . . . . . . . . . . . A . 10 ALA HB2 . . . . . . . . . rr_2dx3 1 . 10 . 2829 . 1 1 10 ALA HB3 H 3.460 -2.094 1.168 . . . 1.0 . . . . . . . . . . . . A . 10 ALA HB3 . . . . . . . . . rr_2dx3 1 . 10 . 2830 . 1 1 10 ALA N N 1.050 -0.531 1.834 . . . 1.0 . . . . . . . . . . . . A . 10 ALA N . . . . . . . . . rr_2dx3 1 . 10 . 2831 . 1 1 10 ALA O O 3.952 1.218 0.914 . . . 1.0 . . . . . . . . . . . . A . 10 ALA O . . . . . . . . . rr_2dx3 1 . 10 . 2832 . 1 1 11 GLY C C 2.159 2.185 -1.738 . . . 1.0 . . . . . . . . . . . . A . 11 GLY C . . . . . . . . . rr_2dx3 1 . 10 . 2833 . 1 1 11 GLY CA C 2.835 0.819 -1.600 . . . 1.0 . . . . . . . . . . . . A . 11 GLY CA . . . . . . . . . rr_2dx3 1 . 10 . 2834 . 1 1 11 GLY H H 1.672 -0.494 -0.475 . . . 1.0 . . . . . . . . . . . . A . 11 GLY H . . . . . . . . . rr_2dx3 1 . 10 . 2835 . 1 1 11 GLY HA2 H 3.918 0.942 -1.606 . . . 1.0 . . . . . . . . . . . . A . 11 GLY HA2 . . . . . . . . . rr_2dx3 1 . 10 . 2836 . 1 1 11 GLY HA3 H 2.580 0.195 -2.456 . . . 1.0 . . . . . . . . . . . . A . 11 GLY HA3 . . . . . . . . . rr_2dx3 1 . 10 . 2837 . 1 1 11 GLY N N 2.425 0.157 -0.373 . . . 1.0 . . . . . . . . . . . . A . 11 GLY N . . . . . . . . . rr_2dx3 1 . 10 . 2838 . 1 1 11 GLY O O 2.197 2.795 -2.805 . . . 1.0 . . . . . . . . . . . . A . 11 GLY O . . . . . . . . . rr_2dx3 1 . 10 . 2839 . 1 1 12 TYR C C 1.832 5.034 -0.236 . . . 1.0 . . . . . . . . . . . . A . 12 TYR C . . . . . . . . . rr_2dx3 1 . 10 . 2840 . 1 1 12 TYR CA C 0.874 3.907 -0.628 . . . 1.0 . . . . . . . . . . . . A . 12 TYR CA . . . . . . . . . rr_2dx3 1 . 10 . 2841 . 1 1 12 TYR CB C -0.219 3.791 0.435 . . . 1.0 . . . . . . . . . . . . A . 12 TYR CB . . . . . . . . . rr_2dx3 1 . 10 . 2842 . 1 1 12 TYR CD1 C 1.534 3.878 2.245 . . . 1.0 . . . . . . . . . . . . A . 12 TYR CD1 . . . . . . . . . rr_2dx3 1 . 10 . 2843 . 1 1 12 TYR CD2 C -0.632 4.771 2.721 . . . 1.0 . . . . . . . . . . . . A . 12 TYR CD2 . . . . . . . . . rr_2dx3 1 . 10 . 2844 . 1 1 12 TYR CE1 C 1.969 4.225 3.573 . . . 1.0 . . . . . . . . . . . . A . 12 TYR CE1 . . . . . . . . . rr_2dx3 1 . 10 . 2845 . 1 1 12 TYR CE2 C -0.196 5.117 4.050 . . . 1.0 . . . . . . . . . . . . A . 12 TYR CE2 . . . . . . . . . rr_2dx3 1 . 10 . 2846 . 1 1 12 TYR CG C 0.243 4.159 1.846 . . . 1.0 . . . . . . . . . . . . A . 12 TYR CG . . . . . . . . . rr_2dx3 1 . 10 . 2847 . 1 1 12 TYR CZ C 1.082 4.827 4.410 . . . 1.0 . . . . . . . . . . . . A . 12 TYR CZ . . . . . . . . . rr_2dx3 1 . 10 . 2848 . 1 1 12 TYR H H 1.531 2.122 0.222 . . . 1.0 . . . . . . . . . . . . A . 12 TYR H . . . . . . . . . rr_2dx3 1 . 10 . 2849 . 1 1 12 TYR HA H 0.494 4.097 -1.632 . . . 1.0 . . . . . . . . . . . . A . 12 TYR HA . . . . . . . . . rr_2dx3 1 . 10 . 2850 . 1 1 12 TYR HB2 H -1.053 4.436 0.157 . . . 1.0 . . . . . . . . . . . . A . 12 TYR HB2 . . . . . . . . . rr_2dx3 1 . 10 . 2851 . 1 1 12 TYR HB3 H -0.597 2.768 0.443 . . . 1.0 . . . . . . . . . . . . A . 12 TYR HB3 . . . . . . . . . rr_2dx3 1 . 10 . 2852 . 1 1 12 TYR HD1 H 2.225 3.395 1.554 . . . 1.0 . . . . . . . . . . . . A . 12 TYR HD1 . . . . . . . . . rr_2dx3 1 . 10 . 2853 . 1 1 12 TYR HD2 H -1.651 4.992 2.407 . . . 1.0 . . . . . . . . . . . . A . 12 TYR HD2 . . . . . . . . . rr_2dx3 1 . 10 . 2854 . 1 1 12 TYR HE1 H 2.986 4.009 3.900 . . . 1.0 . . . . . . . . . . . . A . 12 TYR HE1 . . . . . . . . . rr_2dx3 1 . 10 . 2855 . 1 1 12 TYR HE2 H -0.877 5.601 4.750 . . . 1.0 . . . . . . . . . . . . A . 12 TYR HE2 . . . . . . . . . rr_2dx3 1 . 10 . 2856 . 1 1 12 TYR HH H 0.758 4.983 6.320 . . . 1.0 . . . . . . . . . . . . A . 12 TYR HH . . . . . . . . . rr_2dx3 1 . 10 . 2857 . 1 1 12 TYR N N 1.557 2.625 -0.643 . . . 1.0 . . . . . . . . . . . . A . 12 TYR N . . . . . . . . . rr_2dx3 1 . 10 . 2858 . 1 1 12 TYR O O 1.405 6.065 0.281 . . . 1.0 . . . . . . . . . . . . A . 12 TYR O . . . . . . . . . rr_2dx3 1 . 10 . 2859 . 1 1 12 TYR OH O 1.493 5.154 5.664 . . . 1.0 . . . . . . . . . . . . A . 12 TYR OH . . . . . . . . . rr_2dx3 1 . 10 . 2860 . 1 1 13 ILE C C 4.523 6.536 -1.449 . . . 1.0 . . . . . . . . . . . . A . 13 ILE C . . . . . . . . . rr_2dx3 1 . 10 . 2861 . 1 1 13 ILE CA C 4.132 5.781 -0.177 . . . 1.0 . . . . . . . . . . . . A . 13 ILE CA . . . . . . . . . rr_2dx3 1 . 10 . 2862 . 1 1 13 ILE CB C 5.314 5.114 0.530 . . . 1.0 . . . . . . . . . . . . A . 13 ILE CB . . . . . . . . . rr_2dx3 1 . 10 . 2863 . 1 1 13 ILE CD1 C 5.843 2.800 -0.320 . . . 1.0 . . . . . . . . . . . . A . 13 ILE CD1 . . . . . . . . . rr_2dx3 1 . 10 . 2864 . 1 1 13 ILE CG1 C 6.149 4.293 -0.454 . . . 1.0 . . . . . . . . . . . . A . 13 ILE CG1 . . . . . . . . . rr_2dx3 1 . 10 . 2865 . 1 1 13 ILE CG2 C 4.839 4.275 1.718 . . . 1.0 . . . . . . . . . . . . A . 13 ILE CG2 . . . . . . . . . rr_2dx3 1 . 10 . 2866 . 1 1 13 ILE H H 3.449 3.957 -0.917 . . . 1.0 . . . . . . . . . . . . A . 13 ILE H . . . . . . . . . rr_2dx3 1 . 10 . 2867 . 1 1 13 ILE HA H 3.695 6.491 0.525 . . . 1.0 . . . . . . . . . . . . A . 13 ILE HA . . . . . . . . . rr_2dx3 1 . 10 . 2868 . 1 1 13 ILE HB H 5.960 5.897 0.927 . . . 1.0 . . . . . . . . . . . . A . 13 ILE HB . . . . . . . . . rr_2dx3 1 . 10 . 2869 . 1 1 13 ILE HD11 H 6.469 2.238 -1.014 . . . 1.0 . . . . . . . . . . . . A . 13 ILE HD11 . . . . . . . . . rr_2dx3 1 . 10 . 2870 . 1 1 13 ILE HD12 H 6.051 2.476 0.700 . . . 1.0 . . . . . . . . . . . . A . 13 ILE HD12 . . . . . . . . . rr_2dx3 1 . 10 . 2871 . 1 1 13 ILE HD13 H 4.793 2.622 -0.552 . . . 1.0 . . . . . . . . . . . . A . 13 ILE HD13 . . . . . . . . . rr_2dx3 1 . 10 . 2872 . 1 1 13 ILE HG12 H 5.943 4.620 -1.473 . . . 1.0 . . . . . . . . . . . . A . 13 ILE HG12 . . . . . . . . . rr_2dx3 1 . 10 . 2873 . 1 1 13 ILE HG13 H 7.209 4.469 -0.271 . . . 1.0 . . . . . . . . . . . . A . 13 ILE HG13 . . . . . . . . . rr_2dx3 1 . 10 . 2874 . 1 1 13 ILE HG21 H 4.214 4.887 2.369 . . . 1.0 . . . . . . . . . . . . A . 13 ILE HG21 . . . . . . . . . rr_2dx3 1 . 10 . 2875 . 1 1 13 ILE HG22 H 4.262 3.425 1.355 . . . 1.0 . . . . . . . . . . . . A . 13 ILE HG22 . . . . . . . . . rr_2dx3 1 . 10 . 2876 . 1 1 13 ILE HG23 H 5.702 3.916 2.278 . . . 1.0 . . . . . . . . . . . . A . 13 ILE HG23 . . . . . . . . . rr_2dx3 1 . 10 . 2877 . 1 1 13 ILE N N 3.110 4.799 -0.497 . . . 1.0 . . . . . . . . . . . . A . 13 ILE N . . . . . . . . . rr_2dx3 1 . 10 . 2878 . 1 1 13 ILE O O 4.899 7.705 -1.391 . . . 1.0 . . . . . . . . . . . . A . 13 ILE O . . . . . . . . . rr_2dx3 1 . 10 . 2879 . 1 1 14 VAL C C 4.067 7.783 -3.985 . . . 1.0 . . . . . . . . . . . . A . 14 VAL C . . . . . . . . . rr_2dx3 1 . 10 . 2880 . 1 1 14 VAL CA C 4.760 6.425 -3.854 . . . 1.0 . . . . . . . . . . . . A . 14 VAL CA . . . . . . . . . rr_2dx3 1 . 10 . 2881 . 1 1 14 VAL CB C 4.400 5.458 -4.984 . . . 1.0 . . . . . . . . . . . . A . 14 VAL CB . . . . . . . . . rr_2dx3 1 . 10 . 2882 . 1 1 14 VAL CG1 C 5.534 4.462 -5.235 . . . 1.0 . . . . . . . . . . . . A . 14 VAL CG1 . . . . . . . . . rr_2dx3 1 . 10 . 2883 . 1 1 14 VAL CG2 C 3.087 4.731 -4.687 . . . 1.0 . . . . . . . . . . . . A . 14 VAL CG2 . . . . . . . . . rr_2dx3 1 . 10 . 2884 . 1 1 14 VAL H H 4.115 4.884 -2.608 . . . 1.0 . . . . . . . . . . . . A . 14 VAL H . . . . . . . . . rr_2dx3 1 . 10 . 2885 . 1 1 14 VAL HA H 5.839 6.578 -3.871 . . . 1.0 . . . . . . . . . . . . A . 14 VAL HA . . . . . . . . . rr_2dx3 1 . 10 . 2886 . 1 1 14 VAL HB H 4.261 6.043 -5.893 . . . 1.0 . . . . . . . . . . . . A . 14 VAL HB . . . . . . . . . rr_2dx3 1 . 10 . 2887 . 1 1 14 VAL HG11 H 5.559 4.199 -6.293 . . . 1.0 . . . . . . . . . . . . A . 14 VAL HG11 . . . . . . . . . rr_2dx3 1 . 10 . 2888 . 1 1 14 VAL HG12 H 6.484 4.914 -4.950 . . . 1.0 . . . . . . . . . . . . A . 14 VAL HG12 . . . . . . . . . rr_2dx3 1 . 10 . 2889 . 1 1 14 VAL HG13 H 5.367 3.563 -4.641 . . . 1.0 . . . . . . . . . . . . A . 14 VAL HG13 . . . . . . . . . rr_2dx3 1 . 10 . 2890 . 1 1 14 VAL HG21 H 2.612 5.181 -3.815 . . . 1.0 . . . . . . . . . . . . A . 14 VAL HG21 . . . . . . . . . rr_2dx3 1 . 10 . 2891 . 1 1 14 VAL HG22 H 2.423 4.815 -5.547 . . . 1.0 . . . . . . . . . . . . A . 14 VAL HG22 . . . . . . . . . rr_2dx3 1 . 10 . 2892 . 1 1 14 VAL HG23 H 3.292 3.679 -4.487 . . . 1.0 . . . . . . . . . . . . A . 14 VAL HG23 . . . . . . . . . rr_2dx3 1 . 10 . 2893 . 1 1 14 VAL N N 4.421 5.835 -2.569 . . . 1.0 . . . . . . . . . . . . A . 14 VAL N . . . . . . . . . rr_2dx3 1 . 10 . 2894 . 1 1 14 VAL O O 4.580 8.683 -4.648 . . . 1.0 . . . . . . . . . . . . A . 14 VAL O . . . . . . . . . rr_2dx3 1 . 10 . 2895 . 1 1 15 HIS C C 2.411 9.929 -2.110 . . . 1.0 . . . . . . . . . . . . A . 15 HIS C . . . . . . . . . rr_2dx3 1 . 10 . 2896 . 1 1 15 HIS CA C 2.145 9.120 -3.381 . . . 1.0 . . . . . . . . . . . . A . 15 HIS CA . . . . . . . . . rr_2dx3 1 . 10 . 2897 . 1 1 15 HIS CB C 0.659 8.828 -3.597 . . . 1.0 . . . . . . . . . . . . A . 15 HIS CB . . . . . . . . . rr_2dx3 1 . 10 . 2898 . 1 1 15 HIS CD2 C 0.456 6.250 -3.213 . . . 1.0 . . . . . . . . . . . . A . 15 HIS CD2 . . . . . . . . . rr_2dx3 1 . 10 . 2899 . 1 1 15 HIS CE1 C -0.259 5.694 -5.205 . . . 1.0 . . . . . . . . . . . . A . 15 HIS CE1 . . . . . . . . . rr_2dx3 1 . 10 . 2900 . 1 1 15 HIS CG C 0.361 7.391 -3.954 . . . 1.0 . . . . . . . . . . . . A . 15 HIS CG . . . . . . . . . rr_2dx3 1 . 10 . 2901 . 1 1 15 HIS H H 2.503 7.149 -2.807 . . . 1.0 . . . . . . . . . . . . A . 15 HIS H . . . . . . . . . rr_2dx3 1 . 10 . 2902 . 1 1 15 HIS HA H 2.501 9.684 -4.242 . . . 1.0 . . . . . . . . . . . . A . 15 HIS HA . . . . . . . . . rr_2dx3 1 . 10 . 2903 . 1 1 15 HIS HB2 H 0.112 9.086 -2.690 . . . 1.0 . . . . . . . . . . . . A . 15 HIS HB2 . . . . . . . . . rr_2dx3 1 . 10 . 2904 . 1 1 15 HIS HB3 H 0.283 9.474 -4.390 . . . 1.0 . . . . . . . . . . . . A . 15 HIS HB3 . . . . . . . . . rr_2dx3 1 . 10 . 2905 . 1 1 15 HIS HD1 H -0.264 7.620 -5.978 . . . 1.0 . . . . . . . . . . . . A . 15 HIS HD1 . . . . . . . . . rr_2dx3 1 . 10 . 2906 . 1 1 15 HIS HD2 H 0.785 6.190 -2.176 . . . 1.0 . . . . . . . . . . . . A . 15 HIS HD2 . . . . . . . . . rr_2dx3 1 . 10 . 2907 . 1 1 15 HIS HE1 H -0.606 5.092 -6.045 . . . 1.0 . . . . . . . . . . . . A . 15 HIS HE1 . . . . . . . . . rr_2dx3 1 . 10 . 2908 . 1 1 15 HIS HE2 H 0.106 4.263 -3.699 . . . 1.0 . . . . . . . . . . . . A . 15 HIS HE2 . . . . . . . . . rr_2dx3 1 . 10 . 2909 . 1 1 15 HIS N N 2.913 7.887 -3.344 . . . 1.0 . . . . . . . . . . . . A . 15 HIS N . . . . . . . . . rr_2dx3 1 . 10 . 2910 . 1 1 15 HIS ND1 N -0.092 7.008 -5.205 . . . 1.0 . . . . . . . . . . . . A . 15 HIS ND1 . . . . . . . . . rr_2dx3 1 . 10 . 2911 . 1 1 15 HIS NE2 N 0.081 5.226 -3.970 . . . 1.0 . . . . . . . . . . . . A . 15 HIS NE2 . . . . . . . . . rr_2dx3 1 . 10 . 2912 . 1 1 15 HIS O O 2.507 11.154 -2.159 . . . 1.0 . . . . . . . . . . . . A . 15 HIS O . . . . . . . . . rr_2dx3 1 . 10 . 2913 . 1 1 16 TRP C C 4.214 10.373 0.269 . . . 1.0 . . . . . . . . . . . . A . 16 TRP C . . . . . . . . . rr_2dx3 1 . 10 . 2914 . 1 1 16 TRP CA C 2.778 9.847 0.279 . . . 1.0 . . . . . . . . . . . . A . 16 TRP CA . . . . . . . . . rr_2dx3 1 . 10 . 2915 . 1 1 16 TRP CB C 2.503 8.882 1.434 . . . 1.0 . . . . . . . . . . . . A . 16 TRP CB . . . . . . . . . rr_2dx3 1 . 10 . 2916 . 1 1 16 TRP CD1 C 4.402 7.838 2.835 . . . 1.0 . . . . . . . . . . . . A . 16 TRP CD1 . . . . . . . . . rr_2dx3 1 . 10 . 2917 . 1 1 16 TRP CD2 C 3.985 9.949 3.362 . . . 1.0 . . . . . . . . . . . . A . 16 TRP CD2 . . . . . . . . . rr_2dx3 1 . 10 . 2918 . 1 1 16 TRP CE2 C 5.012 9.516 4.176 . . . 1.0 . . . . . . . . . . . . A . 16 TRP CE2 . . . . . . . . . rr_2dx3 1 . 10 . 2919 . 1 1 16 TRP CE3 C 3.484 11.260 3.450 . . . 1.0 . . . . . . . . . . . . A . 16 TRP CE3 . . . . . . . . . rr_2dx3 1 . 10 . 2920 . 1 1 16 TRP CG C 3.600 8.858 2.500 . . . 1.0 . . . . . . . . . . . . A . 16 TRP CG . . . . . . . . . rr_2dx3 1 . 10 . 2921 . 1 1 16 TRP CH2 C 5.140 11.639 5.243 . . . 1.0 . . . . . . . . . . . . A . 16 TRP CH2 . . . . . . . . . rr_2dx3 1 . 10 . 2922 . 1 1 16 TRP CZ2 C 5.624 10.330 5.137 . . . 1.0 . . . . . . . . . . . . A . 16 TRP CZ2 . . . . . . . . . rr_2dx3 1 . 10 . 2923 . 1 1 16 TRP CZ3 C 4.106 12.061 4.415 . . . 1.0 . . . . . . . . . . . . A . 16 TRP CZ3 . . . . . . . . . rr_2dx3 1 . 10 . 2924 . 1 1 16 TRP H H 2.445 8.214 -0.972 . . . 1.0 . . . . . . . . . . . . A . 16 TRP H . . . . . . . . . rr_2dx3 1 . 10 . 2925 . 1 1 16 TRP HA H 2.077 10.675 0.384 . . . 1.0 . . . . . . . . . . . . A . 16 TRP HA . . . . . . . . . rr_2dx3 1 . 10 . 2926 . 1 1 16 TRP HB2 H 1.558 9.155 1.905 . . . 1.0 . . . . . . . . . . . . A . 16 TRP HB2 . . . . . . . . . rr_2dx3 1 . 10 . 2927 . 1 1 16 TRP HB3 H 2.379 7.876 1.032 . . . 1.0 . . . . . . . . . . . . A . 16 TRP HB3 . . . . . . . . . rr_2dx3 1 . 10 . 2928 . 1 1 16 TRP HD1 H 4.371 6.854 2.369 . . . 1.0 . . . . . . . . . . . . A . 16 TRP HD1 . . . . . . . . . rr_2dx3 1 . 10 . 2929 . 1 1 16 TRP HE1 H 6.027 7.549 4.302 . . . 1.0 . . . . . . . . . . . . A . 16 TRP HE1 . . . . . . . . . rr_2dx3 1 . 10 . 2930 . 1 1 16 TRP HE3 H 2.674 11.626 2.818 . . . 1.0 . . . . . . . . . . . . A . 16 TRP HE3 . . . . . . . . . rr_2dx3 1 . 10 . 2931 . 1 1 16 TRP HH2 H 5.573 12.326 5.971 . . . 1.0 . . . . . . . . . . . . A . 16 TRP HH2 . . . . . . . . . rr_2dx3 1 . 10 . 2932 . 1 1 16 TRP HZ2 H 6.433 9.964 5.769 . . . 1.0 . . . . . . . . . . . . A . 16 TRP HZ2 . . . . . . . . . rr_2dx3 1 . 10 . 2933 . 1 1 16 TRP HZ3 H 3.755 13.087 4.525 . . . 1.0 . . . . . . . . . . . . A . 16 TRP HZ3 . . . . . . . . . rr_2dx3 1 . 10 . 2934 . 1 1 16 TRP N N 2.524 9.211 -1.002 . . . 1.0 . . . . . . . . . . . . A . 16 TRP N . . . . . . . . . rr_2dx3 1 . 10 . 2935 . 1 1 16 TRP NE1 N 5.273 8.191 3.846 . . . 1.0 . . . . . . . . . . . . A . 16 TRP NE1 . . . . . . . . . rr_2dx3 1 . 10 . 2936 . 1 1 16 TRP O O 4.440 11.568 0.081 . . . 1.0 . . . . . . . . . . . . A . 16 TRP O . . . . . . . . . rr_2dx3 1 . 10 . 2937 . 1 1 17 THR C C 7.421 8.587 0.195 . . . 1.0 . . . . . . . . . . . . A . 17 THR C . . . . . . . . . rr_2dx3 1 . 10 . 2938 . 1 1 17 THR CA C 6.556 9.813 0.492 . . . 1.0 . . . . . . . . . . . . A . 17 THR CA . . . . . . . . . rr_2dx3 1 . 10 . 2939 . 1 1 17 THR CB C 6.864 10.461 1.844 . . . 1.0 . . . . . . . . . . . . A . 17 THR CB . . . . . . . . . rr_2dx3 1 . 10 . 2940 . 1 1 17 THR CG2 C 7.624 9.523 2.783 . . . 1.0 . . . . . . . . . . . . A . 17 THR CG2 . . . . . . . . . rr_2dx3 1 . 10 . 2941 . 1 1 17 THR H H 4.956 8.487 0.627 . . . 1.0 . . . . . . . . . . . . A . 17 THR H . . . . . . . . . rr_2dx3 1 . 10 . 2942 . 1 1 17 THR HA H 6.738 10.533 -0.306 . . . 1.0 . . . . . . . . . . . . A . 17 THR HA . . . . . . . . . rr_2dx3 1 . 10 . 2943 . 1 1 17 THR HB H 5.952 10.829 2.315 . . . 1.0 . . . . . . . . . . . . A . 17 THR HB . . . . . . . . . rr_2dx3 1 . 10 . 2944 . 1 1 17 THR HG1 H 8.251 11.804 2.370 . . . 1.0 . . . . . . . . . . . . A . 17 THR HG1 . . . . . . . . . rr_2dx3 1 . 10 . 2945 . 1 1 17 THR HG21 H 7.500 9.860 3.812 . . . 1.0 . . . . . . . . . . . . A . 17 THR HG21 . . . . . . . . . rr_2dx3 1 . 10 . 2946 . 1 1 17 THR HG22 H 7.230 8.511 2.683 . . . 1.0 . . . . . . . . . . . . A . 17 THR HG22 . . . . . . . . . rr_2dx3 1 . 10 . 2947 . 1 1 17 THR HG23 H 8.682 9.528 2.524 . . . 1.0 . . . . . . . . . . . . A . 17 THR HG23 . . . . . . . . . rr_2dx3 1 . 10 . 2948 . 1 1 17 THR N N 5.148 9.456 0.475 . . . 1.0 . . . . . . . . . . . . A . 17 THR N . . . . . . . . . rr_2dx3 1 . 10 . 2949 . 1 1 17 THR O O 6.903 7.527 -0.155 . . . 1.0 . . . . . . . . . . . . A . 17 THR O . . . . . . . . . rr_2dx3 1 . 10 . 2950 . 1 1 17 THR OG1 O 7.808 11.481 1.533 . . . 1.0 . . . . . . . . . . . . A . 17 THR OG1 . . . . . . . . . rr_2dx3 1 . 10 . 2951 . 1 1 18 ALA C C 11.092 8.212 0.294 . . . 1.0 . . . . . . . . . . . . A . 18 ALA C . . . . . . . . . rr_2dx3 1 . 10 . 2952 . 1 1 18 ALA CA C 9.667 7.692 0.099 . . . 1.0 . . . . . . . . . . . . A . 18 ALA CA . . . . . . . . . rr_2dx3 1 . 10 . 2953 . 1 1 18 ALA CB C 9.439 7.127 -1.304 . . . 1.0 . . . . . . . . . . . . A . 18 ALA CB . . . . . . . . . rr_2dx3 1 . 10 . 2954 . 1 1 18 ALA H H 9.138 9.636 0.632 . . . 1.0 . . . . . . . . . . . . A . 18 ALA H . . . . . . . . . rr_2dx3 1 . 10 . 2955 . 1 1 18 ALA HA H 9.471 6.907 0.830 . . . 1.0 . . . . . . . . . . . . A . 18 ALA HA . . . . . . . . . rr_2dx3 1 . 10 . 2956 . 1 1 18 ALA HB1 H 10.391 6.807 -1.726 . . . 1.0 . . . . . . . . . . . . A . 18 ALA HB1 . . . . . . . . . rr_2dx3 1 . 10 . 2957 . 1 1 18 ALA HB2 H 8.762 6.275 -1.247 . . . 1.0 . . . . . . . . . . . . A . 18 ALA HB2 . . . . . . . . . rr_2dx3 1 . 10 . 2958 . 1 1 18 ALA HB3 H 9.001 7.897 -1.939 . . . 1.0 . . . . . . . . . . . . A . 18 ALA HB3 . . . . . . . . . rr_2dx3 1 . 10 . 2959 . 1 1 18 ALA N N 8.725 8.771 0.346 . . . 1.0 . . . . . . . . . . . . A . 18 ALA N . . . . . . . . . rr_2dx3 1 . 10 . 2960 . 1 1 18 ALA O O 12.058 7.512 -0.008 . . . 1.0 . . . . . . . . . . . . A . 18 ALA O . . . . . . . . . rr_2dx3 1 stop_ save_ ########################### # Constraint Statistics # ########################### save_constraint_statistics _Constraint_stat_list.Sf_framecode constraint_statistics _Constraint_stat_list.Sf_category constraint_statistics _Constraint_stat_list.Entry_ID rr_2dx3 _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 2dx3.mr . . 'MR format' 1 comment 'Not applicable' 'Not applicable' 0 rr_2dx3 1 1 2dx3.mr . . XPLOR/CNS 2 peak 'Not applicable' 'Not applicable' 0 rr_2dx3 1 1 2dx3.mr . . unknown 3 'chemical shift' 'Not applicable' 'Not applicable' 0 rr_2dx3 1 1 2dx3.mr . . DYANA/DIANA 4 distance NOE simple 327 rr_2dx3 1 1 2dx3.mr . . 'MR format' 5 'nomenclature mapping' 'Not applicable' 'Not applicable' 0 rr_2dx3 1 stop_ save_ save_DYANA/DIANA_distance_constraints_4 _Gen_dist_constraint_list.Sf_category general_distance_constraints _Gen_dist_constraint_list.Sf_framecode DYANA/DIANA_distance_constraints_4 _Gen_dist_constraint_list.Entry_ID rr_2dx3 _Gen_dist_constraint_list.ID 1 _Gen_dist_constraint_list.Constraint_type NOE _Gen_dist_constraint_list.Details 'Generated by Wattos' _Gen_dist_constraint_list.Constraint_file_ID 1 _Gen_dist_constraint_list.Block_ID 4 loop_ _Gen_dist_constraint_software.Software_ID _Gen_dist_constraint_software.Software_label _Gen_dist_constraint_software.Method_ID _Gen_dist_constraint_software.Method_label _Gen_dist_constraint_software.Entry_ID _Gen_dist_constraint_software.Gen_dist_constraint_list_ID . . . . rr_2dx3 1 stop_ loop_ _Gen_dist_constraint.ID _Gen_dist_constraint.Member_ID _Gen_dist_constraint.Member_logic_code _Gen_dist_constraint.Assembly_atom_ID_1 _Gen_dist_constraint.Entity_assembly_ID_1 _Gen_dist_constraint.Entity_ID_1 _Gen_dist_constraint.Comp_index_ID_1 _Gen_dist_constraint.Seq_ID_1 _Gen_dist_constraint.Comp_ID_1 _Gen_dist_constraint.Atom_ID_1 _Gen_dist_constraint.Atom_type_1 _Gen_dist_constraint.Atom_isotope_number_1 _Gen_dist_constraint.Resonance_ID_1 _Gen_dist_constraint.Assembly_atom_ID_2 _Gen_dist_constraint.Entity_assembly_ID_2 _Gen_dist_constraint.Entity_ID_2 _Gen_dist_constraint.Comp_index_ID_2 _Gen_dist_constraint.Seq_ID_2 _Gen_dist_constraint.Comp_ID_2 _Gen_dist_constraint.Atom_ID_2 _Gen_dist_constraint.Atom_type_2 _Gen_dist_constraint.Atom_isotope_number_2 _Gen_dist_constraint.Resonance_ID_2 _Gen_dist_constraint.Intensity_val _Gen_dist_constraint.Intensity_lower_val_err _Gen_dist_constraint.Intensity_upper_val_err _Gen_dist_constraint.Distance_val _Gen_dist_constraint.Distance_lower_bound_val _Gen_dist_constraint.Distance_upper_bound_val _Gen_dist_constraint.Contribution_fractional_val _Gen_dist_constraint.Spectral_peak_ID _Gen_dist_constraint.Spectral_peak_list_ID _Gen_dist_constraint.PDB_record_ID_1 _Gen_dist_constraint.PDB_model_num_1 _Gen_dist_constraint.PDB_strand_ID_1 _Gen_dist_constraint.PDB_ins_code_1 _Gen_dist_constraint.PDB_residue_no_1 _Gen_dist_constraint.PDB_residue_name_1 _Gen_dist_constraint.PDB_atom_name_1 _Gen_dist_constraint.PDB_record_ID_2 _Gen_dist_constraint.PDB_model_num_2 _Gen_dist_constraint.PDB_strand_ID_2 _Gen_dist_constraint.PDB_ins_code_2 _Gen_dist_constraint.PDB_residue_no_2 _Gen_dist_constraint.PDB_residue_name_2 _Gen_dist_constraint.PDB_atom_name_2 _Gen_dist_constraint.Auth_entity_assembly_ID_1 _Gen_dist_constraint.Auth_asym_ID_1 _Gen_dist_constraint.Auth_chain_ID_1 _Gen_dist_constraint.Auth_seq_ID_1 _Gen_dist_constraint.Auth_comp_ID_1 _Gen_dist_constraint.Auth_atom_ID_1 _Gen_dist_constraint.Auth_alt_ID_1 _Gen_dist_constraint.Auth_atom_name_1 _Gen_dist_constraint.Auth_entity_assembly_ID_2 _Gen_dist_constraint.Auth_asym_ID_2 _Gen_dist_constraint.Auth_chain_ID_2 _Gen_dist_constraint.Auth_seq_ID_2 _Gen_dist_constraint.Auth_comp_ID_2 _Gen_dist_constraint.Auth_atom_ID_2 _Gen_dist_constraint.Auth_alt_ID_2 _Gen_dist_constraint.Auth_atom_name_2 _Gen_dist_constraint.Entry_ID _Gen_dist_constraint.Gen_dist_constraint_list_ID 1 1 . . 1 1 1 1 ILE HA H . . . 1 1 1 1 ILE HB H . . . . . . . 3.49 . . . . . A . 1 ILE HA . . A . 1 ILE HB . . . 1 ILE HA . . . . . 1 ILE HB . . rr_2dx3 1 2 1 . . 1 1 1 1 ILE HA H . . . 1 1 1 1 ILE MG H . . . . . . . 5.63 . . . . . A . 1 ILE HA . . A . 1 ILE MG . . . 1 ILE HA . . . . . 1 ILE QG2 . . rr_2dx3 1 3 1 . . 1 1 1 1 ILE HA H . . . 1 1 1 1 ILE HG12 H . . . . . . . 5.19 . . . . . A . 1 ILE HA . . A . 1 ILE HG12 . . . 1 ILE HA . . . . . 1 ILE HG12 . . rr_2dx3 1 4 1 . . 1 1 1 1 ILE HA H . . . 1 1 1 1 ILE HG13 H . . . . . . . 5.03 . . . . . A . 1 ILE HA . . A . 1 ILE HG13 . . . 1 ILE HA . . . . . 1 ILE HG13 . . rr_2dx3 1 5 1 . . 1 1 1 1 ILE HA H . . . 1 1 1 1 ILE MD H . . . . . . . 6.00 . . . . . A . 1 ILE HA . . A . 1 ILE MD . . . 1 ILE HA . . . . . 1 ILE QD1 . . rr_2dx3 1 6 1 . . 1 1 1 1 ILE HA H . . . 1 1 2 2 ASN HA H . . . . . . . 4.48 . . . . . A . 1 ILE HA . . A . 2 ASN HA . . . 1 ILE HA . . . . . 2 ASN HA . . rr_2dx3 1 7 1 . . 1 1 1 1 ILE HA H . . . 1 1 2 2 ASN HB2 H . . . . . . . 4.11 . . . . . A . 1 ILE HA . . A . 2 ASN HB2 . . . 1 ILE HA . . . . . 2 ASN HB2 . . rr_2dx3 1 8 1 . . 1 1 1 1 ILE HB H . . . 1 1 1 1 ILE MG H . . . . . . . 4.76 . . . . . A . 1 ILE HB . . A . 1 ILE MG . . . 1 ILE HB . . . . . 1 ILE QG2 . . rr_2dx3 1 9 1 . . 1 1 1 1 ILE HB H . . . 1 1 1 1 ILE HG12 H . . . . . . . 4.51 . . . . . A . 1 ILE HB . . A . 1 ILE HG12 . . . 1 ILE HB . . . . . 1 ILE HG12 . . rr_2dx3 1 10 1 . . 1 1 1 1 ILE HB H . . . 1 1 1 1 ILE HG13 H . . . . . . . 3.02 . . . . . A . 1 ILE HB . . A . 1 ILE HG13 . . . 1 ILE HB . . . . . 1 ILE HG13 . . rr_2dx3 1 11 1 . . 1 1 1 1 ILE HB H . . . 1 1 1 1 ILE MD H . . . . . . . 5.54 . . . . . A . 1 ILE HB . . A . 1 ILE MD . . . 1 ILE HB . . . . . 1 ILE QD1 . . rr_2dx3 1 12 1 . . 1 1 1 1 ILE HB H . . . 1 1 2 2 ASN H H . . . . . . . 4.01 . . . . . A . 1 ILE HB . . A . 2 ASN H . . . 1 ILE HB . . . . . 2 ASN HN . . rr_2dx3 1 13 1 . . 1 1 1 1 ILE MG H . . . 1 1 2 2 ASN H H . . . . . . . 6.53 . . . . . A . 1 ILE MG . . A . 2 ASN H . . . 1 ILE QG2 . . . . . 2 ASN HN . . rr_2dx3 1 14 1 . . 1 1 1 1 ILE MG H . . . 1 1 2 2 ASN HA H . . . . . . . 6.53 . . . . . A . 1 ILE MG . . A . 2 ASN HA . . . 1 ILE QG2 . . . . . 2 ASN HA . . rr_2dx3 1 15 1 . . 1 1 1 1 ILE MG H . . . 1 1 2 2 ASN HB2 H . . . . . . . 6.53 . . . . . A . 1 ILE MG . . A . 2 ASN HB2 . . . 1 ILE QG2 . . . . . 2 ASN HB2 . . rr_2dx3 1 16 1 . . 1 1 1 1 ILE MG H . . . 1 1 2 2 ASN HB3 H . . . . . . . 6.53 . . . . . A . 1 ILE MG . . A . 2 ASN HB3 . . . 1 ILE QG2 . . . . . 2 ASN HB3 . . rr_2dx3 1 17 1 . . 1 1 1 1 ILE MG H . . . 1 1 2 2 ASN HD21 H . . . . . . . 5.72 . . . . . A . 1 ILE MG . . A . 2 ASN HD21 . . . 1 ILE QG2 . . . . . 2 ASN HD21 . . rr_2dx3 1 18 1 . . 1 1 1 1 ILE HG12 H . . . 1 1 1 1 ILE MD H . . . . . . . 4.57 . . . . . A . 1 ILE HG12 . . A . 1 ILE MD . . . 1 ILE HG12 . . . . . 1 ILE QD1 . . rr_2dx3 1 19 1 . . 1 1 1 1 ILE HG12 H . . . 1 1 2 2 ASN H H . . . . . . . 5.50 . . . . . A . 1 ILE HG12 . . A . 2 ASN H . . . 1 ILE HG12 . . . . . 2 ASN HN . . rr_2dx3 1 20 1 . . 1 1 1 1 ILE HG13 H . . . 1 1 1 1 ILE MD H . . . . . . . 3.92 . . . . . A . 1 ILE HG13 . . A . 1 ILE MD . . . 1 ILE HG13 . . . . . 1 ILE QD1 . . rr_2dx3 1 21 1 . . 1 1 1 1 ILE HG13 H . . . 1 1 2 2 ASN H H . . . . . . . 5.50 . . . . . A . 1 ILE HG13 . . A . 2 ASN H . . . 1 ILE HG13 . . . . . 2 ASN HN . . rr_2dx3 1 22 1 . . 1 1 1 1 ILE MD H . . . 1 1 2 2 ASN H H . . . . . . . 6.28 . . . . . A . 1 ILE MD . . A . 2 ASN H . . . 1 ILE QD1 . . . . . 2 ASN HN . . rr_2dx3 1 23 1 . . 1 1 2 2 ASN HA H . . . 1 1 2 2 ASN H H . . . . . . . 3.67 . . . . . A . 2 ASN HA . . A . 2 ASN H . . . 2 ASN HA . . . . . 2 ASN HN . . rr_2dx3 1 24 1 . . 1 1 2 2 ASN HB2 H . . . 1 1 2 2 ASN H H . . . . . . . 3.61 . . . . . A . 2 ASN HB2 . . A . 2 ASN H . . . 2 ASN HB2 . . . . . 2 ASN HN . . rr_2dx3 1 25 1 . . 1 1 2 2 ASN H H . . . 1 1 3 3 TYR H H . . . . . . . 4.26 . . . . . A . 2 ASN H . . A . 3 TYR H . . . 2 ASN HN . . . . . 3 TYR HN . . rr_2dx3 1 26 1 . . 1 1 2 2 ASN HA H . . . 1 1 2 2 ASN HB2 H . . . . . . . 3.30 . . . . . A . 2 ASN HA . . A . 2 ASN HB2 . . . 2 ASN HA . . . . . 2 ASN HB2 . . rr_2dx3 1 27 1 . . 1 1 2 2 ASN HA H . . . 1 1 2 2 ASN HB3 H . . . . . . . 3.21 . . . . . A . 2 ASN HA . . A . 2 ASN HB3 . . . 2 ASN HA . . . . . 2 ASN HB3 . . rr_2dx3 1 28 1 . . 1 1 2 2 ASN HA H . . . 1 1 2 2 ASN HD21 H . . . . . . . 5.50 . . . . . A . 2 ASN HA . . A . 2 ASN HD21 . . . 2 ASN HA . . . . . 2 ASN HD21 . . rr_2dx3 1 29 1 . . 1 1 2 2 ASN HA H . . . 1 1 2 2 ASN HD22 H . . . . . . . 5.50 . . . . . A . 2 ASN HA . . A . 2 ASN HD22 . . . 2 ASN HA . . . . . 2 ASN HD22 . . rr_2dx3 1 30 1 OR . 1 1 2 2 ASN HA H . . . 1 1 3 3 TYR HB2 H . . . . . . . 4.95 . . . . . A . 2 ASN HA . . A . 3 TYR HB2 . . . 2 ASN HA . . . . . 3 TYR QB . . rr_2dx3 1 30 2 OR . 1 1 2 2 ASN HA H . . . 1 1 3 3 TYR HB3 H . . . . . . . 4.95 . . . . . A . 2 ASN HA . . A . 3 TYR HB3 . . . 2 ASN HA . . . . . 3 TYR QB . . rr_2dx3 1 31 1 . . 1 1 2 2 ASN HA H . . . 1 1 3 3 TYR QD H . . . . . . . 7.64 . . . . . A . 2 ASN HA . . A . 3 TYR QD . . . 2 ASN HA . . . . . 3 TYR QD . . rr_2dx3 1 32 1 . . 1 1 2 2 ASN HA H . . . 1 1 4 4 TRP H H . . . . . . . 3.86 . . . . . A . 2 ASN HA . . A . 4 TRP H . . . 2 ASN HA . . . . . 4 TRP HN . . rr_2dx3 1 33 1 . . 1 1 2 2 ASN HA H . . . 1 1 5 5 LEU MD2 H . . . . . . . 6.53 . . . . . A . 2 ASN HA . . A . 5 LEU MD2 . . . 2 ASN HA . . . . . 5 LEU QD2 . . rr_2dx3 1 34 1 . . 1 1 2 2 ASN HB2 H . . . 1 1 2 2 ASN HB3 H . . . . . . . 2.52 . . . . . A . 2 ASN HB2 . . A . 2 ASN HB3 . . . 2 ASN HB2 . . . . . 2 ASN HB3 . . rr_2dx3 1 35 1 . . 1 1 2 2 ASN HB2 H . . . 1 1 2 2 ASN HD21 H . . . . . . . 5.41 . . . . . A . 2 ASN HB2 . . A . 2 ASN HD21 . . . 2 ASN HB2 . . . . . 2 ASN HD21 . . rr_2dx3 1 36 1 . . 1 1 2 2 ASN HB2 H . . . 1 1 2 2 ASN HD22 H . . . . . . . 4.82 . . . . . A . 2 ASN HB2 . . A . 2 ASN HD22 . . . 2 ASN HB2 . . . . . 2 ASN HD22 . . rr_2dx3 1 37 1 . . 1 1 2 2 ASN HB2 H . . . 1 1 3 3 TYR H H . . . . . . . 4.23 . . . . . A . 2 ASN HB2 . . A . 3 TYR H . . . 2 ASN HB2 . . . . . 3 TYR HN . . rr_2dx3 1 38 1 . . 1 1 2 2 ASN HB2 H . . . 1 1 4 4 TRP H H . . . . . . . 4.82 . . . . . A . 2 ASN HB2 . . A . 4 TRP H . . . 2 ASN HB2 . . . . . 4 TRP HN . . rr_2dx3 1 39 1 OR . 1 1 2 2 ASN HB2 H . . . 1 1 5 5 LEU HB2 H . . . . . . . 6.38 . . . . . A . 2 ASN HB2 . . A . 5 LEU HB2 . . . 2 ASN HB2 . . . . . 5 LEU QB . . rr_2dx3 1 39 2 OR . 1 1 2 2 ASN HB2 H . . . 1 1 5 5 LEU HB3 H . . . . . . . 6.38 . . . . . A . 2 ASN HB2 . . A . 5 LEU HB3 . . . 2 ASN HB2 . . . . . 5 LEU QB . . rr_2dx3 1 40 1 . . 1 1 2 2 ASN HB2 H . . . 1 1 5 5 LEU MD1 H . . . . . . . 6.53 . . . . . A . 2 ASN HB2 . . A . 5 LEU MD1 . . . 2 ASN HB2 . . . . . 5 LEU QD1 . . rr_2dx3 1 41 1 . . 1 1 2 2 ASN HB2 H . . . 1 1 5 5 LEU MD2 H . . . . . . . 5.97 . . . . . A . 2 ASN HB2 . . A . 5 LEU MD2 . . . 2 ASN HB2 . . . . . 5 LEU QD2 . . rr_2dx3 1 42 1 . . 1 1 2 2 ASN HB3 H . . . 1 1 2 2 ASN HD21 H . . . . . . . 5.22 . . . . . A . 2 ASN HB3 . . A . 2 ASN HD21 . . . 2 ASN HB3 . . . . . 2 ASN HD21 . . rr_2dx3 1 43 1 . . 1 1 2 2 ASN HB3 H . . . 1 1 2 2 ASN HD22 H . . . . . . . 4.41 . . . . . A . 2 ASN HB3 . . A . 2 ASN HD22 . . . 2 ASN HB3 . . . . . 2 ASN HD22 . . rr_2dx3 1 44 1 . . 1 1 2 2 ASN HB3 H . . . 1 1 3 3 TYR H H . . . . . . . 3.98 . . . . . A . 2 ASN HB3 . . A . 3 TYR H . . . 2 ASN HB3 . . . . . 3 TYR HN . . rr_2dx3 1 45 1 . . 1 1 2 2 ASN HB3 H . . . 1 1 4 4 TRP H H . . . . . . . 4.60 . . . . . A . 2 ASN HB3 . . A . 4 TRP H . . . 2 ASN HB3 . . . . . 4 TRP HN . . rr_2dx3 1 46 1 OR . 1 1 2 2 ASN HB3 H . . . 1 1 5 5 LEU HB2 H . . . . . . . 6.38 . . . . . A . 2 ASN HB3 . . A . 5 LEU HB2 . . . 2 ASN HB3 . . . . . 5 LEU QB . . rr_2dx3 1 46 2 OR . 1 1 2 2 ASN HB3 H . . . 1 1 5 5 LEU HB3 H . . . . . . . 6.38 . . . . . A . 2 ASN HB3 . . A . 5 LEU HB3 . . . 2 ASN HB3 . . . . . 5 LEU QB . . rr_2dx3 1 47 1 . . 1 1 2 2 ASN HB3 H . . . 1 1 5 5 LEU MD1 H . . . . . . . 6.53 . . . . . A . 2 ASN HB3 . . A . 5 LEU MD1 . . . 2 ASN HB3 . . . . . 5 LEU QD1 . . rr_2dx3 1 48 1 . . 1 1 2 2 ASN HB3 H . . . 1 1 5 5 LEU MD2 H . . . . . . . 6.53 . . . . . A . 2 ASN HB3 . . A . 5 LEU MD2 . . . 2 ASN HB3 . . . . . 5 LEU QD2 . . rr_2dx3 1 49 1 . . 1 1 2 2 ASN HD21 H . . . 1 1 2 2 ASN HD22 H . . . . . . . 2.62 . . . . . A . 2 ASN HD21 . . A . 2 ASN HD22 . . . 2 ASN HD21 . . . . . 2 ASN HD22 . . rr_2dx3 1 50 1 . . 1 1 2 2 ASN HD21 H . . . 1 1 5 5 LEU H H . . . . . . . 5.50 . . . . . A . 2 ASN HD21 . . A . 5 LEU H . . . 2 ASN HD21 . . . . . 5 LEU HN . . rr_2dx3 1 51 1 . . 1 1 3 3 TYR H H . . . 1 1 2 2 ASN HD22 H . . . . . . . 5.50 . . . . . A . 3 TYR H . . A . 2 ASN HD22 . . . 3 TYR HN . . . . . 2 ASN HD22 . . rr_2dx3 1 52 1 OR . 1 1 2 2 ASN HD22 H . . . 1 1 5 5 LEU HB2 H . . . . . . . 6.38 . . . . . A . 2 ASN HD22 . . A . 5 LEU HB2 . . . 2 ASN HD22 . . . . . 5 LEU QB . . rr_2dx3 1 52 2 OR . 1 1 2 2 ASN HD22 H . . . 1 1 5 5 LEU HB3 H . . . . . . . 6.38 . . . . . A . 2 ASN HD22 . . A . 5 LEU HB3 . . . 2 ASN HD22 . . . . . 5 LEU QB . . rr_2dx3 1 53 1 . . 1 1 2 2 ASN HD22 H . . . 1 1 5 5 LEU MD2 H . . . . . . . 5.75 . . . . . A . 2 ASN HD22 . . A . 5 LEU MD2 . . . 2 ASN HD22 . . . . . 5 LEU QD2 . . rr_2dx3 1 54 1 . . 1 1 3 3 TYR H H . . . 1 1 3 3 TYR HA H . . . . . . . 3.49 . . . . . A . 3 TYR H . . A . 3 TYR HA . . . 3 TYR HN . . . . . 3 TYR HA . . rr_2dx3 1 55 1 OR . 1 1 3 3 TYR H H . . . 1 1 3 3 TYR HB2 H . . . . . . . 4.24 . . . . . A . 3 TYR H . . A . 3 TYR HB2 . . . 3 TYR HN . . . . . 3 TYR QB . . rr_2dx3 1 55 2 OR . 1 1 3 3 TYR H H . . . 1 1 3 3 TYR HB3 H . . . . . . . 4.24 . . . . . A . 3 TYR H . . A . 3 TYR HB3 . . . 3 TYR HN . . . . . 3 TYR QB . . rr_2dx3 1 56 1 . . 1 1 3 3 TYR H H . . . 1 1 3 3 TYR QD H . . . . . . . 7.64 . . . . . A . 3 TYR H . . A . 3 TYR QD . . . 3 TYR HN . . . . . 3 TYR QD . . rr_2dx3 1 57 1 . . 1 1 3 3 TYR H H . . . 1 1 3 3 TYR QE H . . . . . . . 7.63 . . . . . A . 3 TYR H . . A . 3 TYR QE . . . 3 TYR HN . . . . . 3 TYR QE . . rr_2dx3 1 58 1 . . 1 1 3 3 TYR H H . . . 1 1 4 4 TRP H H . . . . . . . 3.58 . . . . . A . 3 TYR H . . A . 4 TRP H . . . 3 TYR HN . . . . . 4 TRP HN . . rr_2dx3 1 59 1 . . 1 1 3 3 TYR H H . . . 1 1 6 6 ALA MB H . . . . . . . 6.53 . . . . . A . 3 TYR H . . A . 6 ALA MB . . . 3 TYR HN . . . . . 6 ALA QB . . rr_2dx3 1 60 1 OR . 1 1 3 3 TYR HA H . . . 1 1 3 3 TYR HB2 H . . . . . . . 4.14 . . . . . A . 3 TYR HA . . A . 3 TYR HB2 . . . 3 TYR HA . . . . . 3 TYR QB . . rr_2dx3 1 60 2 OR . 1 1 3 3 TYR HB3 H . . . 1 1 3 3 TYR HA H . . . . . . . 4.14 . . . . . A . 3 TYR HB3 . . A . 3 TYR HA . . . 3 TYR QB . . . . . 3 TYR HA . . rr_2dx3 1 61 1 . . 1 1 3 3 TYR QD H . . . 1 1 3 3 TYR HA H . . . . . . . 7.11 . . . . . A . 3 TYR QD . . A . 3 TYR HA . . . 3 TYR QD . . . . . 3 TYR HA . . rr_2dx3 1 62 1 . . 1 1 3 3 TYR HA H . . . 1 1 3 3 TYR QE H . . . . . . . 7.63 . . . . . A . 3 TYR HA . . A . 3 TYR QE . . . 3 TYR HA . . . . . 3 TYR QE . . rr_2dx3 1 63 1 . . 1 1 5 5 LEU H H . . . 1 1 3 3 TYR HA H . . . . . . . 4.60 . . . . . A . 5 LEU H . . A . 3 TYR HA . . . 5 LEU HN . . . . . 3 TYR HA . . rr_2dx3 1 64 1 . . 1 1 3 3 TYR HA H . . . 1 1 6 6 ALA H H . . . . . . . 4.82 . . . . . A . 3 TYR HA . . A . 6 ALA H . . . 3 TYR HA . . . . . 6 ALA HN . . rr_2dx3 1 65 1 . . 1 1 3 3 TYR HA H . . . 1 1 6 6 ALA MB H . . . . . . . 5.44 . . . . . A . 3 TYR HA . . A . 6 ALA MB . . . 3 TYR HA . . . . . 6 ALA QB . . rr_2dx3 1 66 1 . . 1 1 3 3 TYR HA H . . . 1 1 7 7 HIS HD2 H . . . . . . . 5.50 . . . . . A . 3 TYR HA . . A . 7 HIS HD2 . . . 3 TYR HA . . . . . 7 HIS+ HD2 . . rr_2dx3 1 67 1 OR . 1 1 3 3 TYR QD H . . . 1 1 3 3 TYR HB2 H . . . . . . . 7.31 . . . . . A . 3 TYR QD . . A . 3 TYR HB2 . . . 3 TYR QD . . . . . 3 TYR QB . . rr_2dx3 1 67 2 OR . 1 1 3 3 TYR HB3 H . . . 1 1 3 3 TYR QD H . . . . . . . 7.31 . . . . . A . 3 TYR HB3 . . A . 3 TYR QD . . . 3 TYR QB . . . . . 3 TYR QD . . rr_2dx3 1 68 1 OR . 1 1 3 3 TYR QE H . . . 1 1 3 3 TYR HB2 H . . . . . . . 8.51 . . . . . A . 3 TYR QE . . A . 3 TYR HB2 . . . 3 TYR QE . . . . . 3 TYR QB . . rr_2dx3 1 68 2 OR . 1 1 3 3 TYR HB3 H . . . 1 1 3 3 TYR QE H . . . . . . . 8.51 . . . . . A . 3 TYR HB3 . . A . 3 TYR QE . . . 3 TYR QB . . . . . 3 TYR QE . . rr_2dx3 1 69 1 OR . 1 1 4 4 TRP H H . . . 1 1 3 3 TYR HB2 H . . . . . . . 4.70 . . . . . A . 4 TRP H . . A . 3 TYR HB2 . . . 4 TRP HN . . . . . 3 TYR QB . . rr_2dx3 1 69 2 OR . 1 1 3 3 TYR HB3 H . . . 1 1 4 4 TRP H H . . . . . . . 4.70 . . . . . A . 3 TYR HB3 . . A . 4 TRP H . . . 3 TYR QB . . . . . 4 TRP HN . . rr_2dx3 1 70 1 OR . 1 1 4 4 TRP HA H . . . 1 1 3 3 TYR HB2 H . . . . . . . 5.73 . . . . . A . 4 TRP HA . . A . 3 TYR HB2 . . . 4 TRP HA . . . . . 3 TYR QB . . rr_2dx3 1 70 2 OR . 1 1 3 3 TYR HB3 H . . . 1 1 4 4 TRP HA H . . . . . . . 5.73 . . . . . A . 3 TYR HB3 . . A . 4 TRP HA . . . 3 TYR QB . . . . . 4 TRP HA . . rr_2dx3 1 71 1 OR . 1 1 4 4 TRP HB2 H . . . 1 1 3 3 TYR HB2 H . . . . . . . 6.38 . . . . . A . 4 TRP HB2 . . A . 3 TYR HB2 . . . 4 TRP HB2 . . . . . 3 TYR QB . . rr_2dx3 1 71 2 OR . 1 1 3 3 TYR HB3 H . . . 1 1 4 4 TRP HB2 H . . . . . . . 6.38 . . . . . A . 3 TYR HB3 . . A . 4 TRP HB2 . . . 3 TYR QB . . . . . 4 TRP HB2 . . rr_2dx3 1 72 1 OR . 1 1 4 4 TRP HB3 H . . . 1 1 3 3 TYR HB2 H . . . . . . . 6.38 . . . . . A . 4 TRP HB3 . . A . 3 TYR HB2 . . . 4 TRP HB3 . . . . . 3 TYR QB . . rr_2dx3 1 72 2 OR . 1 1 3 3 TYR HB3 H . . . 1 1 4 4 TRP HB3 H . . . . . . . 6.38 . . . . . A . 3 TYR HB3 . . A . 4 TRP HB3 . . . 3 TYR QB . . . . . 4 TRP HB3 . . rr_2dx3 1 73 1 OR . 1 1 4 4 TRP HD1 H . . . 1 1 3 3 TYR HB2 H . . . . . . . 6.38 . . . . . A . 4 TRP HD1 . . A . 3 TYR HB2 . . . 4 TRP HD1 . . . . . 3 TYR QB . . rr_2dx3 1 73 2 OR . 1 1 3 3 TYR HB3 H . . . 1 1 4 4 TRP HD1 H . . . . . . . 6.38 . . . . . A . 3 TYR HB3 . . A . 4 TRP HD1 . . . 3 TYR QB . . . . . 4 TRP HD1 . . rr_2dx3 1 74 1 OR . 1 1 4 4 TRP HE3 H . . . 1 1 3 3 TYR HB2 H . . . . . . . 6.38 . . . . . A . 4 TRP HE3 . . A . 3 TYR HB2 . . . 4 TRP HE3 . . . . . 3 TYR QB . . rr_2dx3 1 74 2 OR . 1 1 3 3 TYR HB3 H . . . 1 1 4 4 TRP HE3 H . . . . . . . 6.38 . . . . . A . 3 TYR HB3 . . A . 4 TRP HE3 . . . 3 TYR QB . . . . . 4 TRP HE3 . . rr_2dx3 1 75 1 OR . 1 1 6 6 ALA MB H . . . 1 1 3 3 TYR HB2 H . . . . . . . 7.40 . . . . . A . 6 ALA MB . . A . 3 TYR HB2 . . . 6 ALA QB . . . . . 3 TYR QB . . rr_2dx3 1 75 2 OR . 1 1 3 3 TYR HB3 H . . . 1 1 6 6 ALA MB H . . . . . . . 7.40 . . . . . A . 3 TYR HB3 . . A . 6 ALA MB . . . 3 TYR QB . . . . . 6 ALA QB . . rr_2dx3 1 76 1 OR . 1 1 7 7 HIS HD2 H . . . 1 1 3 3 TYR HB2 H . . . . . . . 6.38 . . . . . A . 7 HIS HD2 . . A . 3 TYR HB2 . . . 7 HIS+ HD2 . . . . . 3 TYR QB . . rr_2dx3 1 76 2 OR . 1 1 3 3 TYR HB3 H . . . 1 1 7 7 HIS HD2 H . . . . . . . 6.38 . . . . . A . 3 TYR HB3 . . A . 7 HIS HD2 . . . 3 TYR QB . . . . . 7 HIS+ HD2 . . rr_2dx3 1 77 1 . . 1 1 3 3 TYR QD H . . . 1 1 3 3 TYR QE H . . . . . . . 7.48 . . . . . A . 3 TYR QD . . A . 3 TYR QE . . . 3 TYR QD . . . . . 3 TYR QE . . rr_2dx3 1 78 1 . . 1 1 3 3 TYR QD H . . . 1 1 4 4 TRP H H . . . . . . . 7.64 . . . . . A . 3 TYR QD . . A . 4 TRP H . . . 3 TYR QD . . . . . 4 TRP HN . . rr_2dx3 1 79 1 . . 1 1 3 3 TYR QD H . . . 1 1 4 4 TRP HA H . . . . . . . 7.64 . . . . . A . 3 TYR QD . . A . 4 TRP HA . . . 3 TYR QD . . . . . 4 TRP HA . . rr_2dx3 1 80 1 . . 1 1 3 3 TYR QD H . . . 1 1 4 4 TRP HD1 H . . . . . . . 7.64 . . . . . A . 3 TYR QD . . A . 4 TRP HD1 . . . 3 TYR QD . . . . . 4 TRP HD1 . . rr_2dx3 1 81 1 . . 1 1 3 3 TYR QD H . . . 1 1 4 4 TRP HE3 H . . . . . . . 7.64 . . . . . A . 3 TYR QD . . A . 4 TRP HE3 . . . 3 TYR QD . . . . . 4 TRP HE3 . . rr_2dx3 1 82 1 . . 1 1 3 3 TYR QD H . . . 1 1 4 4 TRP HZ2 H . . . . . . . 7.64 . . . . . A . 3 TYR QD . . A . 4 TRP HZ2 . . . 3 TYR QD . . . . . 4 TRP HZ2 . . rr_2dx3 1 83 1 . . 1 1 3 3 TYR QD H . . . 1 1 6 6 ALA MB H . . . . . . . 8.67 . . . . . A . 3 TYR QD . . A . 6 ALA MB . . . 3 TYR QD . . . . . 6 ALA QB . . rr_2dx3 1 84 1 . . 1 1 3 3 TYR QD H . . . 1 1 7 7 HIS H H . . . . . . . 5.10 . . . . . A . 3 TYR QD . . A . 7 HIS H . . . 3 TYR QD . . . . . 7 HIS+ HN . . rr_2dx3 1 85 1 . . 1 1 3 3 TYR QD H . . . 1 1 7 7 HIS HB2 H . . . . . . . 5.72 . . . . . A . 3 TYR QD . . A . 7 HIS HB2 . . . 3 TYR QD . . . . . 7 HIS+ HB2 . . rr_2dx3 1 86 1 . . 1 1 3 3 TYR QD H . . . 1 1 7 7 HIS HD2 H . . . . . . . 7.64 . . . . . A . 3 TYR QD . . A . 7 HIS HD2 . . . 3 TYR QD . . . . . 7 HIS+ HD2 . . rr_2dx3 1 87 1 . . 1 1 3 3 TYR QD H . . . 1 1 7 7 HIS HE1 H . . . . . . . 7.64 . . . . . A . 3 TYR QD . . A . 7 HIS HE1 . . . 3 TYR QD . . . . . 7 HIS+ HE1 . . rr_2dx3 1 88 1 . . 1 1 4 4 TRP H H . . . 1 1 3 3 TYR QE H . . . . . . . 7.63 . . . . . A . 4 TRP H . . A . 3 TYR QE . . . 4 TRP HN . . . . . 3 TYR QE . . rr_2dx3 1 89 1 . . 1 1 3 3 TYR QE H . . . 1 1 4 4 TRP HA H . . . . . . . 7.63 . . . . . A . 3 TYR QE . . A . 4 TRP HA . . . 3 TYR QE . . . . . 4 TRP HA . . rr_2dx3 1 90 1 . . 1 1 3 3 TYR QE H . . . 1 1 4 4 TRP HE3 H . . . . . . . 7.63 . . . . . A . 3 TYR QE . . A . 4 TRP HE3 . . . 3 TYR QE . . . . . 4 TRP HE3 . . rr_2dx3 1 91 1 . . 1 1 3 3 TYR QE H . . . 1 1 4 4 TRP HZ2 H . . . . . . . 7.63 . . . . . A . 3 TYR QE . . A . 4 TRP HZ2 . . . 3 TYR QE . . . . . 4 TRP HZ2 . . rr_2dx3 1 92 1 . . 1 1 3 3 TYR QE H . . . 1 1 6 6 ALA MB H . . . . . . . 8.66 . . . . . A . 3 TYR QE . . A . 6 ALA MB . . . 3 TYR QE . . . . . 6 ALA QB . . rr_2dx3 1 93 1 . . 1 1 3 3 TYR QE H . . . 1 1 7 7 HIS H H . . . . . . . 7.63 . . . . . A . 3 TYR QE . . A . 7 HIS H . . . 3 TYR QE . . . . . 7 HIS+ HN . . rr_2dx3 1 94 1 . . 1 1 3 3 TYR QE H . . . 1 1 7 7 HIS HB2 H . . . . . . . 7.63 . . . . . A . 3 TYR QE . . A . 7 HIS HB2 . . . 3 TYR QE . . . . . 7 HIS+ HB2 . . rr_2dx3 1 95 1 . . 1 1 3 3 TYR QE H . . . 1 1 7 7 HIS HD2 H . . . . . . . 7.63 . . . . . A . 3 TYR QE . . A . 7 HIS HD2 . . . 3 TYR QE . . . . . 7 HIS+ HD2 . . rr_2dx3 1 96 1 . . 1 1 3 3 TYR QE H . . . 1 1 7 7 HIS HE1 H . . . . . . . 7.63 . . . . . A . 3 TYR QE . . A . 7 HIS HE1 . . . 3 TYR QE . . . . . 7 HIS+ HE1 . . rr_2dx3 1 97 1 . . 1 1 4 4 TRP H H . . . 1 1 4 4 TRP HB2 H . . . . . . . 3.27 . . . . . A . 4 TRP H . . A . 4 TRP HB2 . . . 4 TRP HN . . . . . 4 TRP HB2 . . rr_2dx3 1 98 1 . . 1 1 4 4 TRP H H . . . 1 1 4 4 TRP HD1 H . . . . . . . 4.88 . . . . . A . 4 TRP H . . A . 4 TRP HD1 . . . 4 TRP HN . . . . . 4 TRP HD1 . . rr_2dx3 1 99 1 . . 1 1 4 4 TRP H H . . . 1 1 4 4 TRP HE3 H . . . . . . . 5.50 . . . . . A . 4 TRP H . . A . 4 TRP HE3 . . . 4 TRP HN . . . . . 4 TRP HE3 . . rr_2dx3 1 100 1 . . 1 1 4 4 TRP H H . . . 1 1 5 5 LEU H H . . . . . . . 3.61 . . . . . A . 4 TRP H . . A . 5 LEU H . . . 4 TRP HN . . . . . 5 LEU HN . . rr_2dx3 1 101 1 OR . 1 1 4 4 TRP H H . . . 1 1 5 5 LEU HB2 H . . . . . . . 5.38 . . . . . A . 4 TRP H . . A . 5 LEU HB2 . . . 4 TRP HN . . . . . 5 LEU QB . . rr_2dx3 1 101 2 OR . 1 1 4 4 TRP H H . . . 1 1 5 5 LEU HB3 H . . . . . . . 5.38 . . . . . A . 4 TRP H . . A . 5 LEU HB3 . . . 4 TRP HN . . . . . 5 LEU QB . . rr_2dx3 1 102 1 . . 1 1 4 4 TRP H H . . . 1 1 5 5 LEU MD1 H . . . . . . . 5.10 . . . . . A . 4 TRP H . . A . 5 LEU MD1 . . . 4 TRP HN . . . . . 5 LEU QD1 . . rr_2dx3 1 103 1 . . 1 1 4 4 TRP H H . . . 1 1 6 6 ALA MB H . . . . . . . 5.75 . . . . . A . 4 TRP H . . A . 6 ALA MB . . . 4 TRP HN . . . . . 6 ALA QB . . rr_2dx3 1 104 1 . . 1 1 4 4 TRP HA H . . . 1 1 4 4 TRP HE3 H . . . . . . . 3.80 . . . . . A . 4 TRP HA . . A . 4 TRP HE3 . . . 4 TRP HA . . . . . 4 TRP HE3 . . rr_2dx3 1 105 1 OR . 1 1 4 4 TRP HA H . . . 1 1 5 5 LEU HB2 H . . . . . . . 6.38 . . . . . A . 4 TRP HA . . A . 5 LEU HB2 . . . 4 TRP HA . . . . . 5 LEU QB . . rr_2dx3 1 105 2 OR . 1 1 5 5 LEU HB3 H . . . 1 1 4 4 TRP HA H . . . . . . . 6.38 . . . . . A . 5 LEU HB3 . . A . 4 TRP HA . . . 5 LEU QB . . . . . 4 TRP HA . . rr_2dx3 1 106 1 . . 1 1 5 5 LEU MD1 H . . . 1 1 4 4 TRP HA H . . . . . . . 6.53 . . . . . A . 5 LEU MD1 . . A . 4 TRP HA . . . 5 LEU QD1 . . . . . 4 TRP HA . . rr_2dx3 1 107 1 . . 1 1 6 6 ALA H H . . . 1 1 4 4 TRP HA H . . . . . . . 3.42 . . . . . A . 6 ALA H . . A . 4 TRP HA . . . 6 ALA HN . . . . . 4 TRP HA . . rr_2dx3 1 108 1 . . 1 1 4 4 TRP HB2 H . . . 1 1 4 4 TRP HD1 H . . . . . . . 3.95 . . . . . A . 4 TRP HB2 . . A . 4 TRP HD1 . . . 4 TRP HB2 . . . . . 4 TRP HD1 . . rr_2dx3 1 109 1 . . 1 1 5 5 LEU H H . . . 1 1 4 4 TRP HB2 H . . . . . . . 3.73 . . . . . A . 5 LEU H . . A . 4 TRP HB2 . . . 5 LEU HN . . . . . 4 TRP HB2 . . rr_2dx3 1 110 1 . . 1 1 5 5 LEU MD1 H . . . 1 1 4 4 TRP HB2 H . . . . . . . 6.53 . . . . . A . 5 LEU MD1 . . A . 4 TRP HB2 . . . 5 LEU QD1 . . . . . 4 TRP HB2 . . rr_2dx3 1 111 1 . . 1 1 5 5 LEU MD2 H . . . 1 1 4 4 TRP HB2 H . . . . . . . 6.53 . . . . . A . 5 LEU MD2 . . A . 4 TRP HB2 . . . 5 LEU QD2 . . . . . 4 TRP HB2 . . rr_2dx3 1 112 1 . . 1 1 4 4 TRP HB3 H . . . 1 1 4 4 TRP HD1 H . . . . . . . 4.11 . . . . . A . 4 TRP HB3 . . A . 4 TRP HD1 . . . 4 TRP HB3 . . . . . 4 TRP HD1 . . rr_2dx3 1 113 1 . . 1 1 5 5 LEU H H . . . 1 1 4 4 TRP HB3 H . . . . . . . 3.73 . . . . . A . 5 LEU H . . A . 4 TRP HB3 . . . 5 LEU HN . . . . . 4 TRP HB3 . . rr_2dx3 1 114 1 . . 1 1 5 5 LEU MD1 H . . . 1 1 4 4 TRP HB3 H . . . . . . . 6.53 . . . . . A . 5 LEU MD1 . . A . 4 TRP HB3 . . . 5 LEU QD1 . . . . . 4 TRP HB3 . . rr_2dx3 1 115 1 . . 1 1 4 4 TRP HD1 H . . . 1 1 4 4 TRP HE3 H . . . . . . . 5.38 . . . . . A . 4 TRP HD1 . . A . 4 TRP HE3 . . . 4 TRP HD1 . . . . . 4 TRP HE3 . . rr_2dx3 1 116 1 . . 1 1 4 4 TRP HD1 H . . . 1 1 4 4 TRP HE1 H . . . . . . . 3.70 . . . . . A . 4 TRP HD1 . . A . 4 TRP HE1 . . . 4 TRP HD1 . . . . . 4 TRP HE1 . . rr_2dx3 1 117 1 . . 1 1 5 5 LEU H H . . . 1 1 4 4 TRP HD1 H . . . . . . . 5.50 . . . . . A . 5 LEU H . . A . 4 TRP HD1 . . . 5 LEU HN . . . . . 4 TRP HD1 . . rr_2dx3 1 118 1 . . 1 1 5 5 LEU MD1 H . . . 1 1 4 4 TRP HD1 H . . . . . . . 6.09 . . . . . A . 5 LEU MD1 . . A . 4 TRP HD1 . . . 5 LEU QD1 . . . . . 4 TRP HD1 . . rr_2dx3 1 119 1 . . 1 1 5 5 LEU H H . . . 1 1 4 4 TRP HE3 H . . . . . . . 5.50 . . . . . A . 5 LEU H . . A . 4 TRP HE3 . . . 5 LEU HN . . . . . 4 TRP HE3 . . rr_2dx3 1 120 1 . . 1 1 6 6 ALA H H . . . 1 1 4 4 TRP HE3 H . . . . . . . 5.50 . . . . . A . 6 ALA H . . A . 4 TRP HE3 . . . 6 ALA HN . . . . . 4 TRP HE3 . . rr_2dx3 1 121 1 . . 1 1 4 4 TRP HE3 H . . . 1 1 7 7 HIS HB2 H . . . . . . . 5.10 . . . . . A . 4 TRP HE3 . . A . 7 HIS HB2 . . . 4 TRP HE3 . . . . . 7 HIS+ HB2 . . rr_2dx3 1 122 1 . . 1 1 4 4 TRP HE3 H . . . 1 1 8 8 ALA MB H . . . . . . . 5.75 . . . . . A . 4 TRP HE3 . . A . 8 ALA MB . . . 4 TRP HE3 . . . . . 8 ALA QB . . rr_2dx3 1 123 1 . . 1 1 4 4 TRP HZ2 H . . . 1 1 4 4 TRP HE1 H . . . . . . . 4.76 . . . . . A . 4 TRP HZ2 . . A . 4 TRP HE1 . . . 4 TRP HZ2 . . . . . 4 TRP HE1 . . rr_2dx3 1 124 1 . . 1 1 5 5 LEU H H . . . 1 1 5 5 LEU HA H . . . . . . . 3.58 . . . . . A . 5 LEU H . . A . 5 LEU HA . . . 5 LEU HN . . . . . 5 LEU HA . . rr_2dx3 1 125 1 OR . 1 1 5 5 LEU H H . . . 1 1 5 5 LEU HB2 H . . . . . . . 4.33 . . . . . A . 5 LEU H . . A . 5 LEU HB2 . . . 5 LEU HN . . . . . 5 LEU QB . . rr_2dx3 1 125 2 OR . 1 1 5 5 LEU HB3 H . . . 1 1 5 5 LEU H H . . . . . . . 4.33 . . . . . A . 5 LEU HB3 . . A . 5 LEU H . . . 5 LEU QB . . . . . 5 LEU HN . . rr_2dx3 1 126 1 . . 1 1 5 5 LEU MD1 H . . . 1 1 5 5 LEU H H . . . . . . . 5.63 . . . . . A . 5 LEU MD1 . . A . 5 LEU H . . . 5 LEU QD1 . . . . . 5 LEU HN . . rr_2dx3 1 127 1 . . 1 1 5 5 LEU MD2 H . . . 1 1 5 5 LEU H H . . . . . . . 6.53 . . . . . A . 5 LEU MD2 . . A . 5 LEU H . . . 5 LEU QD2 . . . . . 5 LEU HN . . rr_2dx3 1 128 1 . . 1 1 5 5 LEU H H . . . 1 1 6 6 ALA H H . . . . . . . 3.67 . . . . . A . 5 LEU H . . A . 6 ALA H . . . 5 LEU HN . . . . . 6 ALA HN . . rr_2dx3 1 129 1 . . 1 1 5 5 LEU H H . . . 1 1 6 6 ALA MB H . . . . . . . 6.53 . . . . . A . 5 LEU H . . A . 6 ALA MB . . . 5 LEU HN . . . . . 6 ALA QB . . rr_2dx3 1 130 1 OR . 1 1 5 5 LEU HA H . . . 1 1 5 5 LEU HB2 H . . . . . . . 4.36 . . . . . A . 5 LEU HA . . A . 5 LEU HB2 . . . 5 LEU HA . . . . . 5 LEU QB . . rr_2dx3 1 130 2 OR . 1 1 5 5 LEU HB3 H . . . 1 1 5 5 LEU HA H . . . . . . . 4.36 . . . . . A . 5 LEU HB3 . . A . 5 LEU HA . . . 5 LEU QB . . . . . 5 LEU HA . . rr_2dx3 1 131 1 . . 1 1 5 5 LEU MD1 H . . . 1 1 5 5 LEU HA H . . . . . . . 4.76 . . . . . A . 5 LEU MD1 . . A . 5 LEU HA . . . 5 LEU QD1 . . . . . 5 LEU HA . . rr_2dx3 1 132 1 . . 1 1 5 5 LEU MD2 H . . . 1 1 5 5 LEU HA H . . . . . . . 5.38 . . . . . A . 5 LEU MD2 . . A . 5 LEU HA . . . 5 LEU QD2 . . . . . 5 LEU HA . . rr_2dx3 1 133 1 . . 1 1 6 6 ALA MB H . . . 1 1 5 5 LEU HA H . . . . . . . 5.91 . . . . . A . 6 ALA MB . . A . 5 LEU HA . . . 6 ALA QB . . . . . 5 LEU HA . . rr_2dx3 1 134 1 OR . 1 1 5 5 LEU MD1 H . . . 1 1 5 5 LEU HB2 H . . . . . . . 5.51 . . . . . A . 5 LEU MD1 . . A . 5 LEU HB2 . . . 5 LEU QD1 . . . . . 5 LEU QB . . rr_2dx3 1 134 2 OR . 1 1 5 5 LEU HB3 H . . . 1 1 5 5 LEU MD1 H . . . . . . . 5.51 . . . . . A . 5 LEU HB3 . . A . 5 LEU MD1 . . . 5 LEU QB . . . . . 5 LEU QD1 . . rr_2dx3 1 135 1 OR . 1 1 5 5 LEU MD2 H . . . 1 1 5 5 LEU HB2 H . . . . . . . 5.33 . . . . . A . 5 LEU MD2 . . A . 5 LEU HB2 . . . 5 LEU QD2 . . . . . 5 LEU QB . . rr_2dx3 1 135 2 OR . 1 1 5 5 LEU MD2 H . . . 1 1 5 5 LEU HB3 H . . . . . . . 5.33 . . . . . A . 5 LEU MD2 . . A . 5 LEU HB3 . . . 5 LEU QD2 . . . . . 5 LEU QB . . rr_2dx3 1 136 1 OR . 1 1 6 6 ALA H H . . . 1 1 5 5 LEU HB2 H . . . . . . . 4.64 . . . . . A . 6 ALA H . . A . 5 LEU HB2 . . . 6 ALA HN . . . . . 5 LEU QB . . rr_2dx3 1 136 2 OR . 1 1 5 5 LEU HB3 H . . . 1 1 6 6 ALA H H . . . . . . . 4.64 . . . . . A . 5 LEU HB3 . . A . 6 ALA H . . . 5 LEU QB . . . . . 6 ALA HN . . rr_2dx3 1 137 1 OR . 1 1 6 6 ALA HA H . . . 1 1 5 5 LEU HB2 H . . . . . . . 5.04 . . . . . A . 6 ALA HA . . A . 5 LEU HB2 . . . 6 ALA HA . . . . . 5 LEU QB . . rr_2dx3 1 137 2 OR . 1 1 5 5 LEU HB3 H . . . 1 1 6 6 ALA HA H . . . . . . . 5.04 . . . . . A . 5 LEU HB3 . . A . 6 ALA HA . . . 5 LEU QB . . . . . 6 ALA HA . . rr_2dx3 1 138 1 . . 1 1 5 5 LEU MD1 H . . . 1 1 6 6 ALA H H . . . . . . . 4.98 . . . . . A . 5 LEU MD1 . . A . 6 ALA H . . . 5 LEU QD1 . . . . . 6 ALA HN . . rr_2dx3 1 139 1 . . 1 1 5 5 LEU MD1 H . . . 1 1 6 6 ALA MB H . . . . . . . 7.56 . . . . . A . 5 LEU MD1 . . A . 6 ALA MB . . . 5 LEU QD1 . . . . . 6 ALA QB . . rr_2dx3 1 140 1 . . 1 1 5 5 LEU MD2 H . . . 1 1 6 6 ALA MB H . . . . . . . 7.56 . . . . . A . 5 LEU MD2 . . A . 6 ALA MB . . . 5 LEU QD2 . . . . . 6 ALA QB . . rr_2dx3 1 141 1 . . 1 1 5 5 LEU MD2 H . . . 1 1 8 8 ALA MB H . . . . . . . 7.56 . . . . . A . 5 LEU MD2 . . A . 8 ALA MB . . . 5 LEU QD2 . . . . . 8 ALA QB . . rr_2dx3 1 142 1 . . 1 1 6 6 ALA H H . . . 1 1 6 6 ALA HA H . . . . . . . 3.52 . . . . . A . 6 ALA H . . A . 6 ALA HA . . . 6 ALA HN . . . . . 6 ALA HA . . rr_2dx3 1 143 1 . . 1 1 6 6 ALA H H . . . 1 1 7 7 HIS H H . . . . . . . 3.39 . . . . . A . 6 ALA H . . A . 7 HIS H . . . 6 ALA HN . . . . . 7 HIS+ HN . . rr_2dx3 1 144 1 . . 1 1 6 6 ALA H H . . . 1 1 8 8 ALA MB H . . . . . . . 5.13 . . . . . A . 6 ALA H . . A . 8 ALA MB . . . 6 ALA HN . . . . . 8 ALA QB . . rr_2dx3 1 145 1 . . 1 1 6 6 ALA MB H . . . 1 1 6 6 ALA HA H . . . . . . . 4.23 . . . . . A . 6 ALA MB . . A . 6 ALA HA . . . 6 ALA QB . . . . . 6 ALA HA . . rr_2dx3 1 146 1 . . 1 1 7 7 HIS HD2 H . . . 1 1 6 6 ALA HA H . . . . . . . 4.45 . . . . . A . 7 HIS HD2 . . A . 6 ALA HA . . . 7 HIS+ HD2 . . . . . 6 ALA HA . . rr_2dx3 1 147 1 . . 1 1 6 6 ALA MB H . . . 1 1 7 7 HIS H H . . . . . . . 4.73 . . . . . A . 6 ALA MB . . A . 7 HIS H . . . 6 ALA QB . . . . . 7 HIS+ HN . . rr_2dx3 1 148 1 . . 1 1 6 6 ALA MB H . . . 1 1 7 7 HIS HA H . . . . . . . 5.78 . . . . . A . 6 ALA MB . . A . 7 HIS HA . . . 6 ALA QB . . . . . 7 HIS+ HA . . rr_2dx3 1 149 1 . . 1 1 6 6 ALA MB H . . . 1 1 7 7 HIS HB2 H . . . . . . . 6.03 . . . . . A . 6 ALA MB . . A . 7 HIS HB2 . . . 6 ALA QB . . . . . 7 HIS+ HB2 . . rr_2dx3 1 150 1 . . 1 1 6 6 ALA MB H . . . 1 1 7 7 HIS HD2 H . . . . . . . 6.00 . . . . . A . 6 ALA MB . . A . 7 HIS HD2 . . . 6 ALA QB . . . . . 7 HIS+ HD2 . . rr_2dx3 1 151 1 . . 1 1 6 6 ALA MB H . . . 1 1 7 7 HIS HE1 H . . . . . . . 6.53 . . . . . A . 6 ALA MB . . A . 7 HIS HE1 . . . 6 ALA QB . . . . . 7 HIS+ HE1 . . rr_2dx3 1 152 1 . . 1 1 6 6 ALA MB H . . . 1 1 9 9 LYS H H . . . . . . . 6.12 . . . . . A . 6 ALA MB . . A . 9 LYS H . . . 6 ALA QB . . . . . 9 LYS+ HN . . rr_2dx3 1 153 1 . . 1 1 6 6 ALA MB H . . . 1 1 9 9 LYS HB3 H . . . . . . . 6.09 . . . . . A . 6 ALA MB . . A . 9 LYS HB3 . . . 6 ALA QB . . . . . 9 LYS+ HB3 . . rr_2dx3 1 154 1 OR . 1 1 6 6 ALA MB H . . . 1 1 9 9 LYS HD2 H . . . . . . . 7.40 . . . . . A . 6 ALA MB . . A . 9 LYS HD2 . . . 6 ALA QB . . . . . 9 LYS+ QD . . rr_2dx3 1 154 2 OR . 1 1 6 6 ALA MB H . . . 1 1 9 9 LYS HD3 H . . . . . . . 7.40 . . . . . A . 6 ALA MB . . A . 9 LYS HD3 . . . 6 ALA QB . . . . . 9 LYS+ QD . . rr_2dx3 1 155 1 . . 1 1 7 7 HIS H H . . . 1 1 7 7 HIS HB2 H . . . . . . . 2.93 . . . . . A . 7 HIS H . . A . 7 HIS HB2 . . . 7 HIS+ HN . . . . . 7 HIS+ HB2 . . rr_2dx3 1 156 1 . . 1 1 7 7 HIS HD2 H . . . 1 1 7 7 HIS H H . . . . . . . 4.04 . . . . . A . 7 HIS HD2 . . A . 7 HIS H . . . 7 HIS+ HD2 . . . . . 7 HIS+ HN . . rr_2dx3 1 157 1 . . 1 1 7 7 HIS HA H . . . 1 1 7 7 HIS HB3 H . . . . . . . 2.71 . . . . . A . 7 HIS HA . . A . 7 HIS HB3 . . . 7 HIS+ HA . . . . . 7 HIS+ HB3 . . rr_2dx3 1 158 1 . . 1 1 7 7 HIS HD2 H . . . 1 1 7 7 HIS HA H . . . . . . . 4.32 . . . . . A . 7 HIS HD2 . . A . 7 HIS HA . . . 7 HIS+ HD2 . . . . . 7 HIS+ HA . . rr_2dx3 1 159 1 . . 1 1 7 7 HIS HA H . . . 1 1 9 9 LYS H H . . . . . . . 3.80 . . . . . A . 7 HIS HA . . A . 9 LYS H . . . 7 HIS+ HA . . . . . 9 LYS+ HN . . rr_2dx3 1 160 1 . . 1 1 7 7 HIS HA H . . . 1 1 10 10 ALA H H . . . . . . . 3.89 . . . . . A . 7 HIS HA . . A . 10 ALA H . . . 7 HIS+ HA . . . . . 10 ALA HN . . rr_2dx3 1 161 1 . . 1 1 7 7 HIS HB2 H . . . 1 1 7 7 HIS HB3 H . . . . . . . 2.56 . . . . . A . 7 HIS HB2 . . A . 7 HIS HB3 . . . 7 HIS+ HB2 . . . . . 7 HIS+ HB3 . . rr_2dx3 1 162 1 . . 1 1 7 7 HIS HD2 H . . . 1 1 7 7 HIS HB2 H . . . . . . . 4.38 . . . . . A . 7 HIS HD2 . . A . 7 HIS HB2 . . . 7 HIS+ HD2 . . . . . 7 HIS+ HB2 . . rr_2dx3 1 163 1 . . 1 1 7 7 HIS HD2 H . . . 1 1 7 7 HIS HB3 H . . . . . . . 4.85 . . . . . A . 7 HIS HD2 . . A . 7 HIS HB3 . . . 7 HIS+ HD2 . . . . . 7 HIS+ HB3 . . rr_2dx3 1 164 1 . . 1 1 7 7 HIS HD2 H . . . 1 1 7 7 HIS HE1 H . . . . . . . 5.50 . . . . . A . 7 HIS HD2 . . A . 7 HIS HE1 . . . 7 HIS+ HD2 . . . . . 7 HIS+ HE1 . . rr_2dx3 1 165 1 . . 1 1 7 7 HIS HD2 H . . . 1 1 10 10 ALA MB H . . . . . . . 5.26 . . . . . A . 7 HIS HD2 . . A . 10 ALA MB . . . 7 HIS+ HD2 . . . . . 10 ALA QB . . rr_2dx3 1 166 1 . . 1 1 8 8 ALA H H . . . 1 1 8 8 ALA HA H . . . . . . . 3.14 . . . . . A . 8 ALA H . . A . 8 ALA HA . . . 8 ALA HN . . . . . 8 ALA HA . . rr_2dx3 1 167 1 . . 1 1 8 8 ALA MB H . . . 1 1 8 8 ALA H H . . . . . . . 4.11 . . . . . A . 8 ALA MB . . A . 8 ALA H . . . 8 ALA QB . . . . . 8 ALA HN . . rr_2dx3 1 168 1 . . 1 1 9 9 LYS H H . . . 1 1 8 8 ALA H H . . . . . . . 3.49 . . . . . A . 9 LYS H . . A . 8 ALA H . . . 9 LYS+ HN . . . . . 8 ALA HN . . rr_2dx3 1 169 1 . . 1 1 8 8 ALA HA H . . . 1 1 11 11 GLY HA3 H . . . . . . . 4.07 . . . . . A . 8 ALA HA . . A . 11 GLY HA3 . . . 8 ALA HA . . . . . 11 GLY HA2 . . rr_2dx3 1 170 1 . . 1 1 8 8 ALA MB H . . . 1 1 9 9 LYS H H . . . . . . . 4.17 . . . . . A . 8 ALA MB . . A . 9 LYS H . . . 8 ALA QB . . . . . 9 LYS+ HN . . rr_2dx3 1 171 1 . . 1 1 9 9 LYS H H . . . 1 1 9 9 LYS HB3 H . . . . . . . 3.39 . . . . . A . 9 LYS H . . A . 9 LYS HB3 . . . 9 LYS+ HN . . . . . 9 LYS+ HB3 . . rr_2dx3 1 172 1 OR . 1 1 9 9 LYS H H . . . 1 1 9 9 LYS HD2 H . . . . . . . 6.38 . . . . . A . 9 LYS H . . A . 9 LYS HD2 . . . 9 LYS+ HN . . . . . 9 LYS+ QD . . rr_2dx3 1 172 2 OR . 1 1 9 9 LYS H H . . . 1 1 9 9 LYS HD3 H . . . . . . . 6.38 . . . . . A . 9 LYS H . . A . 9 LYS HD3 . . . 9 LYS+ HN . . . . . 9 LYS+ QD . . rr_2dx3 1 173 1 OR . 1 1 9 9 LYS H H . . . 1 1 12 12 TYR HB2 H . . . . . . . 4.98 . . . . . A . 9 LYS H . . A . 12 TYR HB2 . . . 9 LYS+ HN . . . . . 12 TYR QB . . rr_2dx3 1 173 2 OR . 1 1 9 9 LYS H H . . . 1 1 12 12 TYR HB3 H . . . . . . . 4.98 . . . . . A . 9 LYS H . . A . 12 TYR HB3 . . . 9 LYS+ HN . . . . . 12 TYR QB . . rr_2dx3 1 174 1 . . 1 1 9 9 LYS H H . . . 1 1 12 12 TYR QE H . . . . . . . 7.63 . . . . . A . 9 LYS H . . A . 12 TYR QE . . . 9 LYS+ HN . . . . . 12 TYR QE . . rr_2dx3 1 175 1 . . 1 1 9 9 LYS HA H . . . 1 1 9 9 LYS HB2 H . . . . . . . 2.93 . . . . . A . 9 LYS HA . . A . 9 LYS HB2 . . . 9 LYS+ HA . . . . . 9 LYS+ HB2 . . rr_2dx3 1 176 1 . . 1 1 9 9 LYS HB3 H . . . 1 1 9 9 LYS HA H . . . . . . . 3.05 . . . . . A . 9 LYS HB3 . . A . 9 LYS HA . . . 9 LYS+ HB3 . . . . . 9 LYS+ HA . . rr_2dx3 1 177 1 OR . 1 1 9 9 LYS HA H . . . 1 1 9 9 LYS HG2 H . . . . . . . 4.42 . . . . . A . 9 LYS HA . . A . 9 LYS HG2 . . . 9 LYS+ HA . . . . . 9 LYS+ QG . . rr_2dx3 1 177 2 OR . 1 1 9 9 LYS HA H . . . 1 1 9 9 LYS HG3 H . . . . . . . 4.42 . . . . . A . 9 LYS HA . . A . 9 LYS HG3 . . . 9 LYS+ HA . . . . . 9 LYS+ QG . . rr_2dx3 1 178 1 OR . 1 1 9 9 LYS HA H . . . 1 1 9 9 LYS HD2 H . . . . . . . 5.29 . . . . . A . 9 LYS HA . . A . 9 LYS HD2 . . . 9 LYS+ HA . . . . . 9 LYS+ QD . . rr_2dx3 1 178 2 OR . 1 1 9 9 LYS HD3 H . . . 1 1 9 9 LYS HA H . . . . . . . 5.29 . . . . . A . 9 LYS HD3 . . A . 9 LYS HA . . . 9 LYS+ QD . . . . . 9 LYS+ HA . . rr_2dx3 1 179 1 OR . 1 1 9 9 LYS HA H . . . 1 1 9 9 LYS HE2 H . . . . . . . 5.35 . . . . . A . 9 LYS HA . . A . 9 LYS HE2 . . . 9 LYS+ HA . . . . . 9 LYS+ QE . . rr_2dx3 1 179 2 OR . 1 1 9 9 LYS HA H . . . 1 1 9 9 LYS HE3 H . . . . . . . 5.35 . . . . . A . 9 LYS HA . . A . 9 LYS HE3 . . . 9 LYS+ HA . . . . . 9 LYS+ QE . . rr_2dx3 1 180 1 OR . 1 1 9 9 LYS HB2 H . . . 1 1 9 9 LYS HE2 H . . . . . . . 5.60 . . . . . A . 9 LYS HB2 . . A . 9 LYS HE2 . . . 9 LYS+ HB2 . . . . . 9 LYS+ QE . . rr_2dx3 1 180 2 OR . 1 1 9 9 LYS HB2 H . . . 1 1 9 9 LYS HE3 H . . . . . . . 5.60 . . . . . A . 9 LYS HB2 . . A . 9 LYS HE3 . . . 9 LYS+ HB2 . . . . . 9 LYS+ QE . . rr_2dx3 1 181 1 . . 1 1 10 10 ALA H H . . . 1 1 9 9 LYS HB2 H . . . . . . . 3.80 . . . . . A . 10 ALA H . . A . 9 LYS HB2 . . . 10 ALA HN . . . . . 9 LYS+ HB2 . . rr_2dx3 1 182 1 OR . 1 1 9 9 LYS HB3 H . . . 1 1 9 9 LYS HE2 H . . . . . . . 6.07 . . . . . A . 9 LYS HB3 . . A . 9 LYS HE2 . . . 9 LYS+ HB3 . . . . . 9 LYS+ QE . . rr_2dx3 1 182 2 OR . 1 1 9 9 LYS HB3 H . . . 1 1 9 9 LYS HE3 H . . . . . . . 6.07 . . . . . A . 9 LYS HB3 . . A . 9 LYS HE3 . . . 9 LYS+ HB3 . . . . . 9 LYS+ QE . . rr_2dx3 1 183 1 . . 1 1 9 9 LYS HB3 H . . . 1 1 10 10 ALA H H . . . . . . . 3.67 . . . . . A . 9 LYS HB3 . . A . 10 ALA H . . . 9 LYS+ HB3 . . . . . 10 ALA HN . . rr_2dx3 1 184 1 OR . 1 1 9 9 LYS HD2 H . . . 1 1 9 9 LYS HG2 H . . . . . . . 5.76 . . . . . A . 9 LYS HD2 . . A . 9 LYS HG2 . . . 9 LYS+ QD . . . . . 9 LYS+ QG . . rr_2dx3 1 184 2 OR . 1 1 9 9 LYS HD3 H . . . 1 1 9 9 LYS HG2 H . . . . . . . 5.76 . . . . . A . 9 LYS HD3 . . A . 9 LYS HG2 . . . 9 LYS+ QD . . . . . 9 LYS+ QG . . rr_2dx3 1 184 3 OR . 1 1 9 9 LYS HG3 H . . . 1 1 9 9 LYS HD2 H . . . . . . . 5.76 . . . . . A . 9 LYS HG3 . . A . 9 LYS HD2 . . . 9 LYS+ QG . . . . . 9 LYS+ QD . . rr_2dx3 1 184 4 OR . 1 1 9 9 LYS HD3 H . . . 1 1 9 9 LYS HG3 H . . . . . . . 5.76 . . . . . A . 9 LYS HD3 . . A . 9 LYS HG3 . . . 9 LYS+ QD . . . . . 9 LYS+ QG . . rr_2dx3 1 185 1 OR . 1 1 9 9 LYS HE2 H . . . 1 1 9 9 LYS HG2 H . . . . . . . 6.23 . . . . . A . 9 LYS HE2 . . A . 9 LYS HG2 . . . 9 LYS+ QE . . . . . 9 LYS+ QG . . rr_2dx3 1 185 2 OR . 1 1 9 9 LYS HG3 H . . . 1 1 9 9 LYS HE2 H . . . . . . . 6.23 . . . . . A . 9 LYS HG3 . . A . 9 LYS HE2 . . . 9 LYS+ QG . . . . . 9 LYS+ QE . . rr_2dx3 1 185 3 OR . 1 1 9 9 LYS HG3 H . . . 1 1 9 9 LYS HE3 H . . . . . . . 6.23 . . . . . A . 9 LYS HG3 . . A . 9 LYS HE3 . . . 9 LYS+ QG . . . . . 9 LYS+ QE . . rr_2dx3 1 185 4 OR . 1 1 9 9 LYS HE3 H . . . 1 1 9 9 LYS HG2 H . . . . . . . 6.23 . . . . . A . 9 LYS HE3 . . A . 9 LYS HG2 . . . 9 LYS+ QE . . . . . 9 LYS+ QG . . rr_2dx3 1 186 1 OR . 1 1 10 10 ALA H H . . . 1 1 9 9 LYS HG2 H . . . . . . . 6.28 . . . . . A . 10 ALA H . . A . 9 LYS HG2 . . . 10 ALA HN . . . . . 9 LYS+ QG . . rr_2dx3 1 186 2 OR . 1 1 10 10 ALA H H . . . 1 1 9 9 LYS HG3 H . . . . . . . 6.28 . . . . . A . 10 ALA H . . A . 9 LYS HG3 . . . 10 ALA HN . . . . . 9 LYS+ QG . . rr_2dx3 1 187 1 OR . 1 1 12 12 TYR QE H . . . 1 1 9 9 LYS HG2 H . . . . . . . 8.51 . . . . . A . 12 TYR QE . . A . 9 LYS HG2 . . . 12 TYR QE . . . . . 9 LYS+ QG . . rr_2dx3 1 187 2 OR . 1 1 12 12 TYR QE H . . . 1 1 9 9 LYS HG3 H . . . . . . . 8.51 . . . . . A . 12 TYR QE . . A . 9 LYS HG3 . . . 12 TYR QE . . . . . 9 LYS+ QG . . rr_2dx3 1 188 1 OR . 1 1 9 9 LYS HD2 H . . . 1 1 9 9 LYS HE2 H . . . . . . . 6.35 . . . . . A . 9 LYS HD2 . . A . 9 LYS HE2 . . . 9 LYS+ QD . . . . . 9 LYS+ QE . . rr_2dx3 1 188 2 OR . 1 1 9 9 LYS HD3 H . . . 1 1 9 9 LYS HE2 H . . . . . . . 6.35 . . . . . A . 9 LYS HD3 . . A . 9 LYS HE2 . . . 9 LYS+ QD . . . . . 9 LYS+ QE . . rr_2dx3 1 188 3 OR . 1 1 9 9 LYS HE3 H . . . 1 1 9 9 LYS HD2 H . . . . . . . 6.35 . . . . . A . 9 LYS HE3 . . A . 9 LYS HD2 . . . 9 LYS+ QE . . . . . 9 LYS+ QD . . rr_2dx3 1 188 4 OR . 1 1 9 9 LYS HD3 H . . . 1 1 9 9 LYS HE3 H . . . . . . . 6.35 . . . . . A . 9 LYS HD3 . . A . 9 LYS HE3 . . . 9 LYS+ QD . . . . . 9 LYS+ QE . . rr_2dx3 1 189 1 OR . 1 1 10 10 ALA H H . . . 1 1 9 9 LYS HD2 H . . . . . . . 6.38 . . . . . A . 10 ALA H . . A . 9 LYS HD2 . . . 10 ALA HN . . . . . 9 LYS+ QD . . rr_2dx3 1 189 2 OR . 1 1 9 9 LYS HD3 H . . . 1 1 10 10 ALA H H . . . . . . . 6.38 . . . . . A . 9 LYS HD3 . . A . 10 ALA H . . . 9 LYS+ QD . . . . . 10 ALA HN . . rr_2dx3 1 190 1 OR . 1 1 12 12 TYR QD H . . . 1 1 9 9 LYS HD2 H . . . . . . . 7.34 . . . . . A . 12 TYR QD . . A . 9 LYS HD2 . . . 12 TYR QD . . . . . 9 LYS+ QD . . rr_2dx3 1 190 2 OR . 1 1 9 9 LYS HD3 H . . . 1 1 12 12 TYR QD H . . . . . . . 7.34 . . . . . A . 9 LYS HD3 . . A . 12 TYR QD . . . 9 LYS+ QD . . . . . 12 TYR QD . . rr_2dx3 1 191 1 . . 1 1 10 10 ALA H H . . . 1 1 10 10 ALA MB H . . . . . . . 4.11 . . . . . A . 10 ALA H . . A . 10 ALA MB . . . 10 ALA HN . . . . . 10 ALA QB . . rr_2dx3 1 192 1 OR . 1 1 10 10 ALA H H . . . 1 1 12 12 TYR HB2 H . . . . . . . 5.76 . . . . . A . 10 ALA H . . A . 12 TYR HB2 . . . 10 ALA HN . . . . . 12 TYR QB . . rr_2dx3 1 192 2 OR . 1 1 10 10 ALA H H . . . 1 1 12 12 TYR HB3 H . . . . . . . 5.76 . . . . . A . 10 ALA H . . A . 12 TYR HB3 . . . 10 ALA HN . . . . . 12 TYR QB . . rr_2dx3 1 193 1 . . 1 1 10 10 ALA H H . . . 1 1 12 12 TYR QD H . . . . . . . 7.64 . . . . . A . 10 ALA H . . A . 12 TYR QD . . . 10 ALA HN . . . . . 12 TYR QD . . rr_2dx3 1 194 1 . . 1 1 10 10 ALA MB H . . . 1 1 10 10 ALA HA H . . . . . . . 3.52 . . . . . A . 10 ALA MB . . A . 10 ALA HA . . . 10 ALA QB . . . . . 10 ALA HA . . rr_2dx3 1 195 1 . . 1 1 10 10 ALA HA H . . . 1 1 12 12 TYR H H . . . . . . . 3.36 . . . . . A . 10 ALA HA . . A . 12 TYR H . . . 10 ALA HA . . . . . 12 TYR HN . . rr_2dx3 1 196 1 . . 1 1 10 10 ALA MB H . . . 1 1 11 11 GLY HA2 H . . . . . . . 6.00 . . . . . A . 10 ALA MB . . A . 11 GLY HA2 . . . 10 ALA QB . . . . . 11 GLY HA1 . . rr_2dx3 1 197 1 . . 1 1 10 10 ALA MB H . . . 1 1 11 11 GLY HA3 H . . . . . . . 5.41 . . . . . A . 10 ALA MB . . A . 11 GLY HA3 . . . 10 ALA QB . . . . . 11 GLY HA2 . . rr_2dx3 1 198 1 . . 1 1 10 10 ALA MB H . . . 1 1 12 12 TYR H H . . . . . . . 5.16 . . . . . A . 10 ALA MB . . A . 12 TYR H . . . 10 ALA QB . . . . . 12 TYR HN . . rr_2dx3 1 199 1 . . 1 1 11 11 GLY HA2 H . . . 1 1 11 11 GLY H H . . . . . . . 3.02 . . . . . A . 11 GLY HA2 . . A . 11 GLY H . . . 11 GLY HA1 . . . . . 11 GLY HN . . rr_2dx3 1 200 1 . . 1 1 11 11 GLY HA3 H . . . 1 1 11 11 GLY H H . . . . . . . 3.05 . . . . . A . 11 GLY HA3 . . A . 11 GLY H . . . 11 GLY HA2 . . . . . 11 GLY HN . . rr_2dx3 1 201 1 . . 1 1 12 12 TYR H H . . . 1 1 11 11 GLY H H . . . . . . . 3.08 . . . . . A . 12 TYR H . . A . 11 GLY H . . . 12 TYR HN . . . . . 11 GLY HN . . rr_2dx3 1 202 1 . . 1 1 12 12 TYR QD H . . . 1 1 11 11 GLY H H . . . . . . . 7.64 . . . . . A . 12 TYR QD . . A . 11 GLY H . . . 12 TYR QD . . . . . 11 GLY HN . . rr_2dx3 1 203 1 . . 1 1 11 11 GLY HA3 H . . . 1 1 11 11 GLY HA2 H . . . . . . . 2.40 . . . . . A . 11 GLY HA3 . . A . 11 GLY HA2 . . . 11 GLY HA2 . . . . . 11 GLY HA1 . . rr_2dx3 1 204 1 . . 1 1 12 12 TYR QD H . . . 1 1 11 11 GLY HA2 H . . . . . . . 7.64 . . . . . A . 12 TYR QD . . A . 11 GLY HA2 . . . 12 TYR QD . . . . . 11 GLY HA1 . . rr_2dx3 1 205 1 . . 1 1 11 11 GLY HA2 H . . . 1 1 13 13 ILE H H . . . . . . . 4.32 . . . . . A . 11 GLY HA2 . . A . 13 ILE H . . . 11 GLY HA1 . . . . . 13 ILE HN . . rr_2dx3 1 206 1 . . 1 1 11 11 GLY HA3 H . . . 1 1 12 12 TYR QD H . . . . . . . 7.64 . . . . . A . 11 GLY HA3 . . A . 12 TYR QD . . . 11 GLY HA2 . . . . . 12 TYR QD . . rr_2dx3 1 207 1 . . 1 1 11 11 GLY HA3 H . . . 1 1 13 13 ILE H H . . . . . . . 4.11 . . . . . A . 11 GLY HA3 . . A . 13 ILE H . . . 11 GLY HA2 . . . . . 13 ILE HN . . rr_2dx3 1 208 1 . . 1 1 12 12 TYR H H . . . 1 1 12 12 TYR HA H . . . . . . . 3.33 . . . . . A . 12 TYR H . . A . 12 TYR HA . . . 12 TYR HN . . . . . 12 TYR HA . . rr_2dx3 1 209 1 OR . 1 1 12 12 TYR H H . . . 1 1 12 12 TYR HB2 H . . . . . . . 4.08 . . . . . A . 12 TYR H . . A . 12 TYR HB2 . . . 12 TYR HN . . . . . 12 TYR QB . . rr_2dx3 1 209 2 OR . 1 1 12 12 TYR HB3 H . . . 1 1 12 12 TYR H H . . . . . . . 4.08 . . . . . A . 12 TYR HB3 . . A . 12 TYR H . . . 12 TYR QB . . . . . 12 TYR HN . . rr_2dx3 1 210 1 . . 1 1 12 12 TYR QD H . . . 1 1 12 12 TYR H H . . . . . . . 7.64 . . . . . A . 12 TYR QD . . A . 12 TYR H . . . 12 TYR QD . . . . . 12 TYR HN . . rr_2dx3 1 211 1 . . 1 1 12 12 TYR QE H . . . 1 1 12 12 TYR H H . . . . . . . 7.63 . . . . . A . 12 TYR QE . . A . 12 TYR H . . . 12 TYR QE . . . . . 12 TYR HN . . rr_2dx3 1 212 1 . . 1 1 12 12 TYR H H . . . 1 1 13 13 ILE H H . . . . . . . 3.33 . . . . . A . 12 TYR H . . A . 13 ILE H . . . 12 TYR HN . . . . . 13 ILE HN . . rr_2dx3 1 213 1 . . 1 1 12 12 TYR H H . . . 1 1 13 13 ILE MG H . . . . . . . 6.28 . . . . . A . 12 TYR H . . A . 13 ILE MG . . . 12 TYR HN . . . . . 13 ILE QG2 . . rr_2dx3 1 214 1 . . 1 1 12 12 TYR H H . . . 1 1 13 13 ILE MD H . . . . . . . 6.53 . . . . . A . 12 TYR H . . A . 13 ILE MD . . . 12 TYR HN . . . . . 13 ILE QD1 . . rr_2dx3 1 215 1 . . 1 1 12 12 TYR H H . . . 1 1 14 14 VAL MG2 H . . . . . . . 6.53 . . . . . A . 12 TYR H . . A . 14 VAL MG2 . . . 12 TYR HN . . . . . 14 VAL QG2 . . rr_2dx3 1 216 1 OR . 1 1 12 12 TYR HA H . . . 1 1 12 12 TYR HB2 H . . . . . . . 3.77 . . . . . A . 12 TYR HA . . A . 12 TYR HB2 . . . 12 TYR HA . . . . . 12 TYR QB . . rr_2dx3 1 216 2 OR . 1 1 12 12 TYR HB3 H . . . 1 1 12 12 TYR HA H . . . . . . . 3.77 . . . . . A . 12 TYR HB3 . . A . 12 TYR HA . . . 12 TYR QB . . . . . 12 TYR HA . . rr_2dx3 1 217 1 . . 1 1 12 12 TYR QD H . . . 1 1 12 12 TYR HA H . . . . . . . 6.65 . . . . . A . 12 TYR QD . . A . 12 TYR HA . . . 12 TYR QD . . . . . 12 TYR HA . . rr_2dx3 1 218 1 . . 1 1 12 12 TYR QE H . . . 1 1 12 12 TYR HA H . . . . . . . 7.63 . . . . . A . 12 TYR QE . . A . 12 TYR HA . . . 12 TYR QE . . . . . 12 TYR HA . . rr_2dx3 1 219 1 . . 1 1 12 12 TYR HA H . . . 1 1 13 13 ILE MG H . . . . . . . 6.12 . . . . . A . 12 TYR HA . . A . 13 ILE MG . . . 12 TYR HA . . . . . 13 ILE QG2 . . rr_2dx3 1 220 1 . . 1 1 12 12 TYR HA H . . . 1 1 13 13 ILE MD H . . . . . . . 6.34 . . . . . A . 12 TYR HA . . A . 13 ILE MD . . . 12 TYR HA . . . . . 13 ILE QD1 . . rr_2dx3 1 221 1 OR . 1 1 12 12 TYR QD H . . . 1 1 12 12 TYR HB2 H . . . . . . . 7.15 . . . . . A . 12 TYR QD . . A . 12 TYR HB2 . . . 12 TYR QD . . . . . 12 TYR QB . . rr_2dx3 1 221 2 OR . 1 1 12 12 TYR HB3 H . . . 1 1 12 12 TYR QD H . . . . . . . 7.15 . . . . . A . 12 TYR HB3 . . A . 12 TYR QD . . . 12 TYR QB . . . . . 12 TYR QD . . rr_2dx3 1 222 1 OR . 1 1 12 12 TYR QE H . . . 1 1 12 12 TYR HB2 H . . . . . . . 8.51 . . . . . A . 12 TYR QE . . A . 12 TYR HB2 . . . 12 TYR QE . . . . . 12 TYR QB . . rr_2dx3 1 222 2 OR . 1 1 12 12 TYR HB3 H . . . 1 1 12 12 TYR QE H . . . . . . . 8.51 . . . . . A . 12 TYR HB3 . . A . 12 TYR QE . . . 12 TYR QB . . . . . 12 TYR QE . . rr_2dx3 1 223 1 OR . 1 1 13 13 ILE H H . . . 1 1 12 12 TYR HB2 H . . . . . . . 4.45 . . . . . A . 13 ILE H . . A . 12 TYR HB2 . . . 13 ILE HN . . . . . 12 TYR QB . . rr_2dx3 1 223 2 OR . 1 1 12 12 TYR HB3 H . . . 1 1 13 13 ILE H H . . . . . . . 4.45 . . . . . A . 12 TYR HB3 . . A . 13 ILE H . . . 12 TYR QB . . . . . 13 ILE HN . . rr_2dx3 1 224 1 OR . 1 1 13 13 ILE HA H . . . 1 1 12 12 TYR HB2 H . . . . . . . 5.66 . . . . . A . 13 ILE HA . . A . 12 TYR HB2 . . . 13 ILE HA . . . . . 12 TYR QB . . rr_2dx3 1 224 2 OR . 1 1 12 12 TYR HB3 H . . . 1 1 13 13 ILE HA H . . . . . . . 5.66 . . . . . A . 12 TYR HB3 . . A . 13 ILE HA . . . 12 TYR QB . . . . . 13 ILE HA . . rr_2dx3 1 225 1 OR . 1 1 13 13 ILE MD H . . . 1 1 12 12 TYR HB2 H . . . . . . . 7.40 . . . . . A . 13 ILE MD . . A . 12 TYR HB2 . . . 13 ILE QD1 . . . . . 12 TYR QB . . rr_2dx3 1 225 2 OR . 1 1 12 12 TYR HB3 H . . . 1 1 13 13 ILE MD H . . . . . . . 7.40 . . . . . A . 12 TYR HB3 . . A . 13 ILE MD . . . 12 TYR QB . . . . . 13 ILE QD1 . . rr_2dx3 1 226 1 OR . 1 1 16 16 TRP HD1 H . . . 1 1 12 12 TYR HB2 H . . . . . . . 6.38 . . . . . A . 16 TRP HD1 . . A . 12 TYR HB2 . . . 16 TRP HD1 . . . . . 12 TYR QB . . rr_2dx3 1 226 2 OR . 1 1 12 12 TYR HB3 H . . . 1 1 16 16 TRP HD1 H . . . . . . . 6.38 . . . . . A . 12 TYR HB3 . . A . 16 TRP HD1 . . . 12 TYR QB . . . . . 16 TRP HD1 . . rr_2dx3 1 227 1 . . 1 1 12 12 TYR QE H . . . 1 1 12 12 TYR QD H . . . . . . . 7.57 . . . . . A . 12 TYR QE . . A . 12 TYR QD . . . 12 TYR QE . . . . . 12 TYR QD . . rr_2dx3 1 228 1 . . 1 1 12 12 TYR QD H . . . 1 1 13 13 ILE H H . . . . . . . 7.64 . . . . . A . 12 TYR QD . . A . 13 ILE H . . . 12 TYR QD . . . . . 13 ILE HN . . rr_2dx3 1 229 1 . . 1 1 12 12 TYR QD H . . . 1 1 13 13 ILE HA H . . . . . . . 7.48 . . . . . A . 12 TYR QD . . A . 13 ILE HA . . . 12 TYR QD . . . . . 13 ILE HA . . rr_2dx3 1 230 1 . . 1 1 12 12 TYR QD H . . . 1 1 13 13 ILE HB H . . . . . . . 7.64 . . . . . A . 12 TYR QD . . A . 13 ILE HB . . . 12 TYR QD . . . . . 13 ILE HB . . rr_2dx3 1 231 1 . . 1 1 12 12 TYR QD H . . . 1 1 14 14 VAL H H . . . . . . . 7.64 . . . . . A . 12 TYR QD . . A . 14 VAL H . . . 12 TYR QD . . . . . 14 VAL HN . . rr_2dx3 1 232 1 . . 1 1 12 12 TYR QE H . . . 1 1 13 13 ILE H H . . . . . . . 7.63 . . . . . A . 12 TYR QE . . A . 13 ILE H . . . 12 TYR QE . . . . . 13 ILE HN . . rr_2dx3 1 233 1 . . 1 1 12 12 TYR QE H . . . 1 1 13 13 ILE HA H . . . . . . . 7.63 . . . . . A . 12 TYR QE . . A . 13 ILE HA . . . 12 TYR QE . . . . . 13 ILE HA . . rr_2dx3 1 234 1 . . 1 1 12 12 TYR QE H . . . 1 1 15 15 HIS H H . . . . . . . 7.63 . . . . . A . 12 TYR QE . . A . 15 HIS H . . . 12 TYR QE . . . . . 15 HIS+ HN . . rr_2dx3 1 235 1 . . 1 1 12 12 TYR QE H . . . 1 1 16 16 TRP HZ2 H . . . . . . . 7.63 . . . . . A . 12 TYR QE . . A . 16 TRP HZ2 . . . 12 TYR QE . . . . . 16 TRP HZ2 . . rr_2dx3 1 236 1 . . 1 1 13 13 ILE H H . . . 1 1 13 13 ILE HA H . . . . . . . 3.39 . . . . . A . 13 ILE H . . A . 13 ILE HA . . . 13 ILE HN . . . . . 13 ILE HA . . rr_2dx3 1 237 1 . . 1 1 13 13 ILE H H . . . 1 1 13 13 ILE MG H . . . . . . . 5.38 . . . . . A . 13 ILE H . . A . 13 ILE MG . . . 13 ILE HN . . . . . 13 ILE QG2 . . rr_2dx3 1 238 1 . . 1 1 13 13 ILE H H . . . 1 1 13 13 ILE HG12 H . . . . . . . 4.41 . . . . . A . 13 ILE H . . A . 13 ILE HG12 . . . 13 ILE HN . . . . . 13 ILE HG12 . . rr_2dx3 1 239 1 . . 1 1 13 13 ILE H H . . . 1 1 13 13 ILE HG13 H . . . . . . . 3.76 . . . . . A . 13 ILE H . . A . 13 ILE HG13 . . . 13 ILE HN . . . . . 13 ILE HG13 . . rr_2dx3 1 240 1 . . 1 1 13 13 ILE H H . . . 1 1 13 13 ILE MD H . . . . . . . 6.53 . . . . . A . 13 ILE H . . A . 13 ILE MD . . . 13 ILE HN . . . . . 13 ILE QD1 . . rr_2dx3 1 241 1 . . 1 1 13 13 ILE H H . . . 1 1 14 14 VAL H H . . . . . . . 3.02 . . . . . A . 13 ILE H . . A . 14 VAL H . . . 13 ILE HN . . . . . 14 VAL HN . . rr_2dx3 1 242 1 . . 1 1 13 13 ILE HA H . . . 1 1 13 13 ILE HB H . . . . . . . 3.27 . . . . . A . 13 ILE HA . . A . 13 ILE HB . . . 13 ILE HA . . . . . 13 ILE HB . . rr_2dx3 1 243 1 . . 1 1 13 13 ILE MG H . . . 1 1 13 13 ILE HA H . . . . . . . 4.54 . . . . . A . 13 ILE MG . . A . 13 ILE HA . . . 13 ILE QG2 . . . . . 13 ILE HA . . rr_2dx3 1 244 1 . . 1 1 13 13 ILE HA H . . . 1 1 13 13 ILE HG13 H . . . . . . . 4.14 . . . . . A . 13 ILE HA . . A . 13 ILE HG13 . . . 13 ILE HA . . . . . 13 ILE HG13 . . rr_2dx3 1 245 1 . . 1 1 13 13 ILE MD H . . . 1 1 13 13 ILE HA H . . . . . . . 5.35 . . . . . A . 13 ILE MD . . A . 13 ILE HA . . . 13 ILE QD1 . . . . . 13 ILE HA . . rr_2dx3 1 246 1 . . 1 1 14 14 VAL MG2 H . . . 1 1 13 13 ILE HA H . . . . . . . 6.31 . . . . . A . 14 VAL MG2 . . A . 13 ILE HA . . . 14 VAL QG2 . . . . . 13 ILE HA . . rr_2dx3 1 247 1 . . 1 1 13 13 ILE HA H . . . 1 1 15 15 HIS H H . . . . . . . 3.95 . . . . . A . 13 ILE HA . . A . 15 HIS H . . . 13 ILE HA . . . . . 15 HIS+ HN . . rr_2dx3 1 248 1 . . 1 1 13 13 ILE HA H . . . 1 1 16 16 TRP H H . . . . . . . 2.56 . . . . . A . 13 ILE HA . . A . 16 TRP H . . . 13 ILE HA . . . . . 16 TRP HN . . rr_2dx3 1 249 1 . . 1 1 13 13 ILE MG H . . . 1 1 13 13 ILE HB H . . . . . . . 4.20 . . . . . A . 13 ILE MG . . A . 13 ILE HB . . . 13 ILE QG2 . . . . . 13 ILE HB . . rr_2dx3 1 250 1 . . 1 1 13 13 ILE HB H . . . 1 1 13 13 ILE HG12 H . . . . . . . 4.04 . . . . . A . 13 ILE HB . . A . 13 ILE HG12 . . . 13 ILE HB . . . . . 13 ILE HG12 . . rr_2dx3 1 251 1 . . 1 1 13 13 ILE HB H . . . 1 1 13 13 ILE HG13 H . . . . . . . 2.93 . . . . . A . 13 ILE HB . . A . 13 ILE HG13 . . . 13 ILE HB . . . . . 13 ILE HG13 . . rr_2dx3 1 252 1 . . 1 1 13 13 ILE MD H . . . 1 1 13 13 ILE HB H . . . . . . . 4.67 . . . . . A . 13 ILE MD . . A . 13 ILE HB . . . 13 ILE QD1 . . . . . 13 ILE HB . . rr_2dx3 1 253 1 . . 1 1 14 14 VAL MG2 H . . . 1 1 13 13 ILE HB H . . . . . . . 6.53 . . . . . A . 14 VAL MG2 . . A . 13 ILE HB . . . 14 VAL QG2 . . . . . 13 ILE HB . . rr_2dx3 1 254 1 . . 1 1 16 16 TRP HD1 H . . . 1 1 13 13 ILE HB H . . . . . . . 5.31 . . . . . A . 16 TRP HD1 . . A . 13 ILE HB . . . 16 TRP HD1 . . . . . 13 ILE HB . . rr_2dx3 1 255 1 . . 1 1 13 13 ILE MG H . . . 1 1 13 13 ILE HG12 H . . . . . . . 4.54 . . . . . A . 13 ILE MG . . A . 13 ILE HG12 . . . 13 ILE QG2 . . . . . 13 ILE HG12 . . rr_2dx3 1 256 1 . . 1 1 13 13 ILE MG H . . . 1 1 13 13 ILE HG13 H . . . . . . . 4.48 . . . . . A . 13 ILE MG . . A . 13 ILE HG13 . . . 13 ILE QG2 . . . . . 13 ILE HG13 . . rr_2dx3 1 257 1 . . 1 1 13 13 ILE MG H . . . 1 1 16 16 TRP HB2 H . . . . . . . 5.97 . . . . . A . 13 ILE MG . . A . 16 TRP HB2 . . . 13 ILE QG2 . . . . . 16 TRP HB2 . . rr_2dx3 1 258 1 . . 1 1 13 13 ILE MG H . . . 1 1 16 16 TRP HB3 H . . . . . . . 6.53 . . . . . A . 13 ILE MG . . A . 16 TRP HB3 . . . 13 ILE QG2 . . . . . 16 TRP HB3 . . rr_2dx3 1 259 1 . . 1 1 13 13 ILE HG12 H . . . 1 1 13 13 ILE HG13 H . . . . . . . 2.40 . . . . . A . 13 ILE HG12 . . A . 13 ILE HG13 . . . 13 ILE HG12 . . . . . 13 ILE HG13 . . rr_2dx3 1 260 1 . . 1 1 13 13 ILE MD H . . . 1 1 13 13 ILE HG12 H . . . . . . . 4.08 . . . . . A . 13 ILE MD . . A . 13 ILE HG12 . . . 13 ILE QD1 . . . . . 13 ILE HG12 . . rr_2dx3 1 261 1 . . 1 1 14 14 VAL H H . . . 1 1 13 13 ILE HG12 H . . . . . . . 5.50 . . . . . A . 14 VAL H . . A . 13 ILE HG12 . . . 14 VAL HN . . . . . 13 ILE HG12 . . rr_2dx3 1 262 1 . . 1 1 13 13 ILE MD H . . . 1 1 13 13 ILE HG13 H . . . . . . . 3.95 . . . . . A . 13 ILE MD . . A . 13 ILE HG13 . . . 13 ILE QD1 . . . . . 13 ILE HG13 . . rr_2dx3 1 263 1 . . 1 1 13 13 ILE MD H . . . 1 1 14 14 VAL H H . . . . . . . 4.02 . . . . . A . 13 ILE MD . . A . 14 VAL H . . . 13 ILE QD1 . . . . . 14 VAL HN . . rr_2dx3 1 264 1 . . 1 1 14 14 VAL H H . . . 1 1 14 14 VAL HA H . . . . . . . 3.36 . . . . . A . 14 VAL H . . A . 14 VAL HA . . . 14 VAL HN . . . . . 14 VAL HA . . rr_2dx3 1 265 1 . . 1 1 14 14 VAL H H . . . 1 1 14 14 VAL MG1 H . . . . . . . 4.88 . . . . . A . 14 VAL H . . A . 14 VAL MG1 . . . 14 VAL HN . . . . . 14 VAL QG1 . . rr_2dx3 1 266 1 . . 1 1 14 14 VAL MG2 H . . . 1 1 14 14 VAL H H . . . . . . . 5.13 . . . . . A . 14 VAL MG2 . . A . 14 VAL H . . . 14 VAL QG2 . . . . . 14 VAL HN . . rr_2dx3 1 267 1 . . 1 1 14 14 VAL H H . . . 1 1 15 15 HIS H H . . . . . . . 3.73 . . . . . A . 14 VAL H . . A . 15 HIS H . . . 14 VAL HN . . . . . 15 HIS+ HN . . rr_2dx3 1 268 1 . . 1 1 14 14 VAL H H . . . 1 1 15 15 HIS HD2 H . . . . . . . 5.50 . . . . . A . 14 VAL H . . A . 15 HIS HD2 . . . 14 VAL HN . . . . . 15 HIS+ HD2 . . rr_2dx3 1 269 1 . . 1 1 16 16 TRP HD1 H . . . 1 1 14 14 VAL H H . . . . . . . 5.50 . . . . . A . 16 TRP HD1 . . A . 14 VAL H . . . 16 TRP HD1 . . . . . 14 VAL HN . . rr_2dx3 1 270 1 . . 1 1 14 14 VAL HA H . . . 1 1 14 14 VAL HB H . . . . . . . 3.24 . . . . . A . 14 VAL HA . . A . 14 VAL HB . . . 14 VAL HA . . . . . 14 VAL HB . . rr_2dx3 1 271 1 . . 1 1 14 14 VAL HA H . . . 1 1 14 14 VAL MG1 H . . . . . . . 4.54 . . . . . A . 14 VAL HA . . A . 14 VAL MG1 . . . 14 VAL HA . . . . . 14 VAL QG1 . . rr_2dx3 1 272 1 . . 1 1 14 14 VAL MG2 H . . . 1 1 14 14 VAL HA H . . . . . . . 4.79 . . . . . A . 14 VAL MG2 . . A . 14 VAL HA . . . 14 VAL QG2 . . . . . 14 VAL HA . . rr_2dx3 1 273 1 . . 1 1 14 14 VAL HA H . . . 1 1 15 15 HIS HD2 H . . . . . . . 5.50 . . . . . A . 14 VAL HA . . A . 15 HIS HD2 . . . 14 VAL HA . . . . . 15 HIS+ HD2 . . rr_2dx3 1 274 1 . . 1 1 14 14 VAL MG1 H . . . 1 1 14 14 VAL HB H . . . . . . . 4.42 . . . . . A . 14 VAL MG1 . . A . 14 VAL HB . . . 14 VAL QG1 . . . . . 14 VAL HB . . rr_2dx3 1 275 1 . . 1 1 14 14 VAL MG2 H . . . 1 1 14 14 VAL HB H . . . . . . . 4.39 . . . . . A . 14 VAL MG2 . . A . 14 VAL HB . . . 14 VAL QG2 . . . . . 14 VAL HB . . rr_2dx3 1 276 1 . . 1 1 15 15 HIS H H . . . 1 1 14 14 VAL HB H . . . . . . . 3.64 . . . . . A . 15 HIS H . . A . 14 VAL HB . . . 15 HIS+ HN . . . . . 14 VAL HB . . rr_2dx3 1 277 1 . . 1 1 14 14 VAL MG2 H . . . 1 1 14 14 VAL MG1 H . . . . . . . 5.57 . . . . . A . 14 VAL MG2 . . A . 14 VAL MG1 . . . 14 VAL QG2 . . . . . 14 VAL QG1 . . rr_2dx3 1 278 1 . . 1 1 15 15 HIS H H . . . 1 1 14 14 VAL MG1 H . . . . . . . 5.26 . . . . . A . 15 HIS H . . A . 14 VAL MG1 . . . 15 HIS+ HN . . . . . 14 VAL QG1 . . rr_2dx3 1 279 1 . . 1 1 14 14 VAL MG1 H . . . 1 1 15 15 HIS HD2 H . . . . . . . 6.22 . . . . . A . 14 VAL MG1 . . A . 15 HIS HD2 . . . 14 VAL QG1 . . . . . 15 HIS+ HD2 . . rr_2dx3 1 280 1 . . 1 1 14 14 VAL MG2 H . . . 1 1 15 15 HIS H H . . . . . . . 5.94 . . . . . A . 14 VAL MG2 . . A . 15 HIS H . . . 14 VAL QG2 . . . . . 15 HIS+ HN . . rr_2dx3 1 281 1 . . 1 1 14 14 VAL MG2 H . . . 1 1 15 15 HIS HD2 H . . . . . . . 6.31 . . . . . A . 14 VAL MG2 . . A . 15 HIS HD2 . . . 14 VAL QG2 . . . . . 15 HIS+ HD2 . . rr_2dx3 1 282 1 . . 1 1 15 15 HIS H H . . . 1 1 15 15 HIS HA H . . . . . . . 3.24 . . . . . A . 15 HIS H . . A . 15 HIS HA . . . 15 HIS+ HN . . . . . 15 HIS+ HA . . rr_2dx3 1 283 1 . . 1 1 15 15 HIS H H . . . 1 1 15 15 HIS HD2 H . . . . . . . 5.10 . . . . . A . 15 HIS H . . A . 15 HIS HD2 . . . 15 HIS+ HN . . . . . 15 HIS+ HD2 . . rr_2dx3 1 284 1 . . 1 1 15 15 HIS H H . . . 1 1 16 16 TRP H H . . . . . . . 3.58 . . . . . A . 15 HIS H . . A . 16 TRP H . . . 15 HIS+ HN . . . . . 16 TRP HN . . rr_2dx3 1 285 1 . . 1 1 15 15 HIS HA H . . . 1 1 15 15 HIS HB2 H . . . . . . . 3.02 . . . . . A . 15 HIS HA . . A . 15 HIS HB2 . . . 15 HIS+ HA . . . . . 15 HIS+ HB2 . . rr_2dx3 1 286 1 . . 1 1 15 15 HIS HA H . . . 1 1 15 15 HIS HB3 H . . . . . . . 3.11 . . . . . A . 15 HIS HA . . A . 15 HIS HB3 . . . 15 HIS+ HA . . . . . 15 HIS+ HB3 . . rr_2dx3 1 287 1 . . 1 1 15 15 HIS HB2 H . . . 1 1 15 15 HIS HB3 H . . . . . . . 2.71 . . . . . A . 15 HIS HB2 . . A . 15 HIS HB3 . . . 15 HIS+ HB2 . . . . . 15 HIS+ HB3 . . rr_2dx3 1 288 1 . . 1 1 15 15 HIS HD2 H . . . 1 1 15 15 HIS HB2 H . . . . . . . 4.72 . . . . . A . 15 HIS HD2 . . A . 15 HIS HB2 . . . 15 HIS+ HD2 . . . . . 15 HIS+ HB2 . . rr_2dx3 1 289 1 . . 1 1 16 16 TRP H H . . . 1 1 15 15 HIS HB2 H . . . . . . . 3.64 . . . . . A . 16 TRP H . . A . 15 HIS HB2 . . . 16 TRP HN . . . . . 15 HIS+ HB2 . . rr_2dx3 1 290 1 . . 1 1 15 15 HIS HD2 H . . . 1 1 15 15 HIS HB3 H . . . . . . . 4.48 . . . . . A . 15 HIS HD2 . . A . 15 HIS HB3 . . . 15 HIS+ HD2 . . . . . 15 HIS+ HB3 . . rr_2dx3 1 291 1 . . 1 1 15 15 HIS HD2 H . . . 1 1 15 15 HIS HE1 H . . . . . . . 5.50 . . . . . A . 15 HIS HD2 . . A . 15 HIS HE1 . . . 15 HIS+ HD2 . . . . . 15 HIS+ HE1 . . rr_2dx3 1 292 1 . . 1 1 16 16 TRP H H . . . 1 1 15 15 HIS HD2 H . . . . . . . 3.11 . . . . . A . 16 TRP H . . A . 15 HIS HD2 . . . 16 TRP HN . . . . . 15 HIS+ HD2 . . rr_2dx3 1 293 1 . . 1 1 15 15 HIS HD2 H . . . 1 1 16 16 TRP HA H . . . . . . . 5.44 . . . . . A . 15 HIS HD2 . . A . 16 TRP HA . . . 15 HIS+ HD2 . . . . . 16 TRP HA . . rr_2dx3 1 294 1 . . 1 1 15 15 HIS HD2 H . . . 1 1 17 17 THR H H . . . . . . . 5.50 . . . . . A . 15 HIS HD2 . . A . 17 THR H . . . 15 HIS+ HD2 . . . . . 17 THR HN . . rr_2dx3 1 295 1 . . 1 1 16 16 TRP H H . . . 1 1 16 16 TRP HB3 H . . . . . . . 3.73 . . . . . A . 16 TRP H . . A . 16 TRP HB3 . . . 16 TRP HN . . . . . 16 TRP HB3 . . rr_2dx3 1 296 1 . . 1 1 16 16 TRP HD1 H . . . 1 1 16 16 TRP H H . . . . . . . 4.82 . . . . . A . 16 TRP HD1 . . A . 16 TRP H . . . 16 TRP HD1 . . . . . 16 TRP HN . . rr_2dx3 1 297 1 . . 1 1 16 16 TRP H H . . . 1 1 16 16 TRP HE3 H . . . . . . . 5.50 . . . . . A . 16 TRP H . . A . 16 TRP HE3 . . . 16 TRP HN . . . . . 16 TRP HE3 . . rr_2dx3 1 298 1 . . 1 1 16 16 TRP HB2 H . . . 1 1 16 16 TRP HA H . . . . . . . 3.14 . . . . . A . 16 TRP HB2 . . A . 16 TRP HA . . . 16 TRP HB2 . . . . . 16 TRP HA . . rr_2dx3 1 299 1 . . 1 1 16 16 TRP HB3 H . . . 1 1 16 16 TRP HA H . . . . . . . 3.14 . . . . . A . 16 TRP HB3 . . A . 16 TRP HA . . . 16 TRP HB3 . . . . . 16 TRP HA . . rr_2dx3 1 300 1 . . 1 1 16 16 TRP HA H . . . 1 1 17 17 THR HB H . . . . . . . 4.66 . . . . . A . 16 TRP HA . . A . 17 THR HB . . . 16 TRP HA . . . . . 17 THR HB . . rr_2dx3 1 301 1 . . 1 1 16 16 TRP HA H . . . 1 1 17 17 THR MG H . . . . . . . 6.50 . . . . . A . 16 TRP HA . . A . 17 THR MG . . . 16 TRP HA . . . . . 17 THR QG2 . . rr_2dx3 1 302 1 . . 1 1 16 16 TRP HD1 H . . . 1 1 16 16 TRP HB2 H . . . . . . . 3.80 . . . . . A . 16 TRP HD1 . . A . 16 TRP HB2 . . . 16 TRP HD1 . . . . . 16 TRP HB2 . . rr_2dx3 1 303 1 . . 1 1 16 16 TRP HB2 H . . . 1 1 17 17 THR H H . . . . . . . 3.61 . . . . . A . 16 TRP HB2 . . A . 17 THR H . . . 16 TRP HB2 . . . . . 17 THR HN . . rr_2dx3 1 304 1 . . 1 1 16 16 TRP HD1 H . . . 1 1 16 16 TRP HB3 H . . . . . . . 4.23 . . . . . A . 16 TRP HD1 . . A . 16 TRP HB3 . . . 16 TRP HD1 . . . . . 16 TRP HB3 . . rr_2dx3 1 305 1 . . 1 1 16 16 TRP HB3 H . . . 1 1 17 17 THR H H . . . . . . . 2.71 . . . . . A . 16 TRP HB3 . . A . 17 THR H . . . 16 TRP HB3 . . . . . 17 THR HN . . rr_2dx3 1 306 1 . . 1 1 16 16 TRP HB3 H . . . 1 1 17 17 THR MG H . . . . . . . 6.53 . . . . . A . 16 TRP HB3 . . A . 17 THR MG . . . 16 TRP HB3 . . . . . 17 THR QG2 . . rr_2dx3 1 307 1 . . 1 1 16 16 TRP HD1 H . . . 1 1 16 16 TRP HE1 H . . . . . . . 3.67 . . . . . A . 16 TRP HD1 . . A . 16 TRP HE1 . . . 16 TRP HD1 . . . . . 16 TRP HE1 . . rr_2dx3 1 308 1 . . 1 1 16 16 TRP HD1 H . . . 1 1 17 17 THR H H . . . . . . . 5.41 . . . . . A . 16 TRP HD1 . . A . 17 THR H . . . 16 TRP HD1 . . . . . 17 THR HN . . rr_2dx3 1 309 1 . . 1 1 16 16 TRP HD1 H . . . 1 1 17 17 THR HA H . . . . . . . 5.10 . . . . . A . 16 TRP HD1 . . A . 17 THR HA . . . 16 TRP HD1 . . . . . 17 THR HA . . rr_2dx3 1 310 1 . . 1 1 16 16 TRP HD1 H . . . 1 1 17 17 THR HB H . . . . . . . 4.85 . . . . . A . 16 TRP HD1 . . A . 17 THR HB . . . 16 TRP HD1 . . . . . 17 THR HB . . rr_2dx3 1 311 1 . . 1 1 16 16 TRP HD1 H . . . 1 1 17 17 THR MG H . . . . . . . 6.53 . . . . . A . 16 TRP HD1 . . A . 17 THR MG . . . 16 TRP HD1 . . . . . 17 THR QG2 . . rr_2dx3 1 312 1 . . 1 1 17 17 THR H H . . . 1 1 16 16 TRP HE3 H . . . . . . . 5.50 . . . . . A . 17 THR H . . A . 16 TRP HE3 . . . 17 THR HN . . . . . 16 TRP HE3 . . rr_2dx3 1 313 1 . . 1 1 16 16 TRP HE3 H . . . 1 1 17 17 THR HB H . . . . . . . 4.72 . . . . . A . 16 TRP HE3 . . A . 17 THR HB . . . 16 TRP HE3 . . . . . 17 THR HB . . rr_2dx3 1 314 1 . . 1 1 16 16 TRP HE3 H . . . 1 1 17 17 THR MG H . . . . . . . 6.53 . . . . . A . 16 TRP HE3 . . A . 17 THR MG . . . 16 TRP HE3 . . . . . 17 THR QG2 . . rr_2dx3 1 315 1 . . 1 1 16 16 TRP HZ2 H . . . 1 1 16 16 TRP HE1 H . . . . . . . 4.69 . . . . . A . 16 TRP HZ2 . . A . 16 TRP HE1 . . . 16 TRP HZ2 . . . . . 16 TRP HE1 . . rr_2dx3 1 316 1 . . 1 1 16 16 TRP HZ2 H . . . 1 1 17 17 THR H H . . . . . . . 5.50 . . . . . A . 16 TRP HZ2 . . A . 17 THR H . . . 16 TRP HZ2 . . . . . 17 THR HN . . rr_2dx3 1 317 1 . . 1 1 17 17 THR H H . . . 1 1 17 17 THR MG H . . . . . . . 5.78 . . . . . A . 17 THR H . . A . 17 THR MG . . . 17 THR HN . . . . . 17 THR QG2 . . rr_2dx3 1 318 1 . . 1 1 17 17 THR MG H . . . 1 1 17 17 THR HA H . . . . . . . 4.88 . . . . . A . 17 THR MG . . A . 17 THR HA . . . 17 THR QG2 . . . . . 17 THR HA . . rr_2dx3 1 319 1 . . 1 1 17 17 THR HA H . . . 1 1 18 18 ALA MB H . . . . . . . 4.64 . . . . . A . 17 THR HA . . A . 18 ALA MB . . . 17 THR HA . . . . . 18 ALA QB . . rr_2dx3 1 320 1 . . 1 1 17 17 THR HB H . . . 1 1 17 17 THR MG H . . . . . . . 4.67 . . . . . A . 17 THR HB . . A . 17 THR MG . . . 17 THR HB . . . . . 17 THR QG2 . . rr_2dx3 1 321 1 . . 1 1 17 17 THR HB H . . . 1 1 18 18 ALA H H . . . . . . . 4.20 . . . . . A . 17 THR HB . . A . 18 ALA H . . . 17 THR HB . . . . . 18 ALA HN . . rr_2dx3 1 322 1 . . 1 1 17 17 THR HB H . . . 1 1 18 18 ALA MB H . . . . . . . 6.53 . . . . . A . 17 THR HB . . A . 18 ALA MB . . . 17 THR HB . . . . . 18 ALA QB . . rr_2dx3 1 323 1 . . 1 1 17 17 THR MG H . . . 1 1 18 18 ALA H H . . . . . . . 6.06 . . . . . A . 17 THR MG . . A . 18 ALA H . . . 17 THR QG2 . . . . . 18 ALA HN . . rr_2dx3 1 324 1 . . 1 1 17 17 THR MG H . . . 1 1 18 18 ALA HA H . . . . . . . 5.50 . . . . . A . 17 THR MG . . A . 18 ALA HA . . . 17 THR QG2 . . . . . 18 ALA HA . . rr_2dx3 1 325 1 . . 1 1 18 18 ALA H H . . . 1 1 18 18 ALA HA H . . . . . . . 3.55 . . . . . A . 18 ALA H . . A . 18 ALA HA . . . 18 ALA HN . . . . . 18 ALA HA . . rr_2dx3 1 326 1 . . 1 1 18 18 ALA MB H . . . 1 1 18 18 ALA H H . . . . . . . 4.73 . . . . . A . 18 ALA MB . . A . 18 ALA H . . . 18 ALA QB . . . . . 18 ALA HN . . rr_2dx3 1 327 1 . . 1 1 18 18 ALA MB H . . . 1 1 18 18 ALA HA H . . . . . . . 4.42 . . . . . A . 18 ALA MB . . A . 18 ALA HA . . . 18 ALA QB . . . . . 18 ALA HA . . rr_2dx3 1 stop_ loop_ _Gen_dist_constraint_comment_org.ID _Gen_dist_constraint_comment_org.Comment_text _Gen_dist_constraint_comment_org.Comment_begin_line _Gen_dist_constraint_comment_org.Comment_begin_column _Gen_dist_constraint_comment_org.Comment_end_line _Gen_dist_constraint_comment_org.Comment_end_column _Gen_dist_constraint_comment_org.Entry_ID _Gen_dist_constraint_comment_org.Gen_dist_constraint_list_ID 1 'peak 366' 2 40 2 52 rr_2dx3 1 2 'peak 370' 3 40 3 52 rr_2dx3 1 3 'peak 368' 4 40 4 52 rr_2dx3 1 4 'peak 367' 5 40 5 52 rr_2dx3 1 5 'peak 369' 6 40 6 52 rr_2dx3 1 6 '1 ILE HA 2 ASN HN 2.93 # peak 1' 7 1 7 53 rr_2dx3 1 7 'peak 358' 8 40 8 52 rr_2dx3 1 8 'peak 346' 9 40 9 52 rr_2dx3 1 9 '1 ILE HA 2 ASN HB3 4.11 # peak 345' 10 1 10 53 rr_2dx3 1 10 'peak 472' 11 40 11 52 rr_2dx3 1 11 'peak 479' 12 40 12 52 rr_2dx3 1 12 'peak 476' 13 40 13 52 rr_2dx3 1 13 'peak 471' 14 40 14 52 rr_2dx3 1 14 'peak 222' 15 40 15 52 rr_2dx3 1 15 '1 ILE HB 3 TYR QE 6.27 # peak 324' 16 1 16 53 rr_2dx3 1 16 'peak 226' 17 40 17 52 rr_2dx3 1 17 'peak 416' 18 40 18 52 rr_2dx3 1 18 'peak 441' 19 40 19 52 rr_2dx3 1 19 'peak 440' 20 40 20 52 rr_2dx3 1 20 'peak 315' 21 40 21 52 rr_2dx3 1 21 '1 ILE QG2 3 TYR HA 6.53 # peak 380' 22 1 22 53 rr_2dx3 1 22 '1 ILE QG2 3 TYR QB 7.40 # peak 438' 23 1 23 53 rr_2dx3 1 23 '1 ILE QG2 3 TYR QD 8.67 # peak 320' 24 1 24 53 rr_2dx3 1 24 '1 ILE QG2 3 TYR QE 8.66 # peak 321' 25 1 25 53 rr_2dx3 1 25 '1 ILE QG2 18 ALA HA 3.68 # peak 378' 26 1 26 53 rr_2dx3 1 26 'peak 484' 27 40 27 52 rr_2dx3 1 27 'peak 224' 28 40 28 52 rr_2dx3 1 28 'peak 489' 29 40 29 52 rr_2dx3 1 29 'peak 223' 30 40 30 52 rr_2dx3 1 30 'peak 225' 31 40 31 52 rr_2dx3 1 31 '1 ILE QD1 3 TYR QD 8.67 # peak 317' 32 1 32 53 rr_2dx3 1 32 '1 ILE QD1 3 TYR QE 8.66 # peak 319' 33 1 33 53 rr_2dx3 1 33 'peak 2' 34 40 34 52 rr_2dx3 1 34 'peak 90' 35 40 35 52 rr_2dx3 1 35 '2 ASN HN 2 ASN HB3 3.55 # peak 85' 36 1 36 53 rr_2dx3 1 36 '2 ASN HN 2 ASN HD22 5.50 # peak 171' 37 1 37 53 rr_2dx3 1 37 'peak 137' 38 40 38 52 rr_2dx3 1 38 'peak 332' 39 40 39 52 rr_2dx3 1 39 'peak 331' 40 40 40 52 rr_2dx3 1 40 'peak 64' 41 40 41 52 rr_2dx3 1 41 'peak 48' 42 40 42 52 rr_2dx3 1 42 '2 ASN HA 3 TYR HN 2.87 # peak 31' 43 1 43 53 rr_2dx3 1 43 'peak 330' 44 40 44 52 rr_2dx3 1 44 'peak 55' 45 40 45 52 rr_2dx3 1 45 '2 ASN HA 3 TYR QE 7.63 # peak 52' 46 1 46 53 rr_2dx3 1 46 'peak 35' 47 40 47 52 rr_2dx3 1 47 '2 ASN HA 5 LEU HN 3.86 # peak 45' 48 1 48 53 rr_2dx3 1 48 '2 ASN HA 5 LEU QD1 6.53 # peak 414' 49 1 49 53 rr_2dx3 1 49 'peak 412' 50 40 50 52 rr_2dx3 1 50 '2 ASN HA 6 ALA QB 6.53 # peak 410' 51 1 51 53 rr_2dx3 1 51 'peak 357' 52 40 52 52 rr_2dx3 1 52 'peak 94' 53 40 53 52 rr_2dx3 1 53 'peak 93' 54 40 54 52 rr_2dx3 1 54 'peak 91' 55 40 55 52 rr_2dx3 1 55 'peak 92' 56 40 56 52 rr_2dx3 1 56 'peak 432' 57 40 57 52 rr_2dx3 1 57 '2 ASN HB2 5 LEU HG 3.45 # peak 433' 58 1 58 53 rr_2dx3 1 58 'peak 435' 59 40 59 52 rr_2dx3 1 59 'peak 434' 60 40 60 52 rr_2dx3 1 60 'peak 89' 61 40 61 52 rr_2dx3 1 61 'peak 88' 62 40 62 52 rr_2dx3 1 62 'peak 86' 63 40 63 52 rr_2dx3 1 63 'peak 87' 64 40 64 52 rr_2dx3 1 64 'peak 429' 65 40 65 52 rr_2dx3 1 65 'peak 431' 66 40 66 52 rr_2dx3 1 66 'peak 430' 67 40 67 52 rr_2dx3 1 67 'peak 208' 68 40 68 52 rr_2dx3 1 68 '2 ASN HD21 4 TRP HB2 4.66 # peak 122' 69 1 69 53 rr_2dx3 1 69 'peak 196' 70 40 70 52 rr_2dx3 1 70 'peak 172' 71 40 71 52 rr_2dx3 1 71 '2 ASN HD22 4 TRP HD1 5.50 # peak 187' 72 1 72 53 rr_2dx3 1 72 'peak 282' 73 40 73 52 rr_2dx3 1 73 'peak 283' 74 40 74 52 rr_2dx3 1 74 'peak 3' 75 40 75 52 rr_2dx3 1 75 'peak 110' 76 40 76 52 rr_2dx3 1 76 'peak 162' 77 40 77 52 rr_2dx3 1 77 'peak 166' 78 40 78 52 rr_2dx3 1 78 'peak 140' 79 40 79 52 rr_2dx3 1 79 'peak 244' 80 40 80 52 rr_2dx3 1 80 'peak 339' 81 40 81 52 rr_2dx3 1 81 'peak 58' 82 40 82 52 rr_2dx3 1 82 'peak 54' 83 40 83 52 rr_2dx3 1 83 '3 TYR HA 4 TRP HN 3.36 # peak 15' 84 1 84 53 rr_2dx3 1 84 '3 TYR HA 4 TRP HD1 5.50 # peak 70' 85 1 85 53 rr_2dx3 1 85 'peak 41' 86 40 86 52 rr_2dx3 1 86 'peak 44' 87 40 87 52 rr_2dx3 1 87 'peak 379' 88 40 88 52 rr_2dx3 1 88 'peak 71' 89 40 89 52 rr_2dx3 1 89 'peak 135' 90 40 90 52 rr_2dx3 1 90 'peak 136' 91 40 91 52 rr_2dx3 1 91 'peak 111' 92 40 92 52 rr_2dx3 1 92 'peak 337' 93 40 93 52 rr_2dx3 1 93 'peak 348' 94 40 94 52 rr_2dx3 1 94 'peak 347' 95 40 95 52 rr_2dx3 1 95 'peak 133' 96 40 96 52 rr_2dx3 1 96 'peak 117' 97 40 97 52 rr_2dx3 1 97 '3 TYR QB 5 LEU QD1 7.40 # peak 437' 98 1 98 53 rr_2dx3 1 98 'peak 436' 99 40 99 52 rr_2dx3 1 99 'peak 134' 100 40 100 52 rr_2dx3 1 100 '3 TYR QB 14 VAL QG1 7.40 # peak 439' 101 1 101 53 rr_2dx3 1 101 'peak 202' 102 40 102 52 rr_2dx3 1 102 'peak 164' 103 40 103 52 rr_2dx3 1 103 'peak 56' 104 40 104 52 rr_2dx3 1 104 'peak 216' 105 40 105 52 rr_2dx3 1 105 'peak 209' 106 40 106 52 rr_2dx3 1 106 'peak 211' 107 40 107 52 rr_2dx3 1 107 'peak 327' 108 40 108 52 rr_2dx3 1 108 'peak 197' 109 40 109 52 rr_2dx3 1 109 'peak 130' 110 40 110 52 rr_2dx3 1 110 'peak 219' 111 40 111 52 rr_2dx3 1 111 'peak 163' 112 40 112 52 rr_2dx3 1 112 'peak 168' 113 40 113 52 rr_2dx3 1 113 'peak 53' 114 40 114 52 rr_2dx3 1 114 'peak 210' 115 40 115 52 rr_2dx3 1 115 'peak 212' 116 40 116 52 rr_2dx3 1 116 'peak 328' 117 40 117 52 rr_2dx3 1 117 'peak 201' 118 40 118 52 rr_2dx3 1 118 'peak 132' 119 40 119 52 rr_2dx3 1 119 'peak 215' 120 40 120 52 rr_2dx3 1 120 'peak 167' 121 40 121 52 rr_2dx3 1 121 '3 TYR QE 16 TRP HD1 7.01 # peak 214' 122 1 122 53 rr_2dx3 1 122 'peak 98' 123 40 123 52 rr_2dx3 1 123 '4 TRP HN 4 TRP HB3 3.42 # peak 95' 124 1 124 53 rr_2dx3 1 124 'peak 148' 125 40 125 52 rr_2dx3 1 125 'peak 174' 126 40 126 52 rr_2dx3 1 126 'peak 144' 127 40 127 52 rr_2dx3 1 127 'peak 261' 128 40 128 52 rr_2dx3 1 128 'peak 230' 129 40 129 52 rr_2dx3 1 129 'peak 269' 130 40 130 52 rr_2dx3 1 130 '4 TRP HN 7 HIS+ HD2 4.85 # peak 156' 131 1 131 53 rr_2dx3 1 131 '4 TRP HN 15 HIS+ HN 3.98 # peak 139' 132 1 132 53 rr_2dx3 1 132 '4 TRP HN 16 TRP HD1 5.50 # peak 190' 133 1 133 53 rr_2dx3 1 133 '4 TRP HA 4 TRP HB3 3.08 # peak 335' 134 1 134 53 rr_2dx3 1 134 '4 TRP HA 4 TRP HD1 4.63 # peak 66' 135 1 135 53 rr_2dx3 1 135 'peak 50' 136 40 136 52 rr_2dx3 1 136 '4 TRP HA 4 TRP HZ2 5.50 # peak 84' 137 1 137 53 rr_2dx3 1 137 '4 TRP HA 5 LEU HN 3.27 # peak 37' 138 1 138 53 rr_2dx3 1 138 'peak 419' 139 40 139 52 rr_2dx3 1 139 '4 TRP HA 5 LEU HG 3.36 # peak 420' 140 1 140 53 rr_2dx3 1 140 'peak 424' 141 40 141 52 rr_2dx3 1 141 '4 TRP HA 5 LEU QD2 6.53 # peak 422' 142 1 142 53 rr_2dx3 1 142 'peak 5' 143 40 143 52 rr_2dx3 1 143 '4 TRP HA 14 VAL QG2 6.50 # peak 423' 144 1 144 53 rr_2dx3 1 144 '4 TRP HA 16 TRP HD1 5.50 # peak 67' 145 1 145 53 rr_2dx3 1 145 'peak 121' 146 40 146 52 rr_2dx3 1 146 '4 TRP HB2 4 TRP HE3 2.93 # peak 114' 147 1 147 53 rr_2dx3 1 147 'peak 113' 148 40 148 52 rr_2dx3 1 148 '4 TRP HB2 5 LEU QB 4.45 # peak 443' 149 1 149 53 rr_2dx3 1 149 'peak 449' 150 40 150 52 rr_2dx3 1 150 'peak 448' 151 40 151 52 rr_2dx3 1 151 '4 TRP HB2 6 ALA HA 2.74 # peak 350' 152 1 152 53 rr_2dx3 1 152 'peak 118' 153 40 153 52 rr_2dx3 1 153 'peak 112' 154 40 154 52 rr_2dx3 1 154 'peak 442' 155 40 155 52 rr_2dx3 1 155 '4 TRP HB3 7 HIS+ HD2 3.55 # peak 119' 156 1 156 53 rr_2dx3 1 156 'peak 204' 157 40 157 52 rr_2dx3 1 157 'peak 181' 158 40 158 52 rr_2dx3 1 158 '4 TRP HD1 4 TRP HZ2 4.60 # peak 206' 159 1 159 53 rr_2dx3 1 159 'peak 178' 160 40 160 52 rr_2dx3 1 160 '4 TRP HD1 5 LEU HG 5.47 # peak 299' 161 1 161 53 rr_2dx3 1 161 'peak 307' 162 40 162 52 rr_2dx3 1 162 '4 TRP HD1 6 ALA HN 3.52 # peak 188' 163 1 163 53 rr_2dx3 1 163 '4 TRP HD1 6 ALA QB 6.53 # peak 303' 164 1 164 53 rr_2dx3 1 164 '4 TRP HD1 8 ALA QB 4.85 # peak 302' 165 1 165 53 rr_2dx3 1 165 '4 TRP HD1 15 HIS+ HA 4.63 # peak 62' 166 1 166 53 rr_2dx3 1 166 'peak 177' 167 40 167 52 rr_2dx3 1 167 '4 TRP HE3 5 LEU QB 6.38 # peak 284' 168 1 168 53 rr_2dx3 1 168 'peak 175' 169 40 169 52 rr_2dx3 1 169 '4 TRP HE3 6 ALA QB 6.53 # peak 286' 170 1 170 53 rr_2dx3 1 170 '4 TRP HE3 7 HIS+ HN 3.70 # peak 183' 171 1 171 53 rr_2dx3 1 171 'peak 115' 172 40 172 52 rr_2dx3 1 172 'peak 285' 173 40 173 52 rr_2dx3 1 173 'peak 179' 174 40 174 52 rr_2dx3 1 174 '4 TRP HZ2 7 HIS+ HN 5.50 # peak 184' 175 1 175 53 rr_2dx3 1 175 '4 TRP HZ2 7 HIS+ HB2 4.72 # peak 116' 176 1 176 53 rr_2dx3 1 176 '4 TRP HZ2 13 ILE HN 5.50 # peak 185' 177 1 177 53 rr_2dx3 1 177 'peak 24' 178 40 178 52 rr_2dx3 1 178 'peak 277' 179 40 179 52 rr_2dx3 1 179 'peak 281' 180 40 180 52 rr_2dx3 1 180 'peak 280' 181 40 181 52 rr_2dx3 1 181 'peak 145' 182 40 182 52 rr_2dx3 1 182 'peak 279' 183 40 183 52 rr_2dx3 1 183 '5 LEU HN 7 HIS+ HD2 5.50 # peak 195' 184 1 184 53 rr_2dx3 1 184 '5 LEU HN 8 ALA QB 3.61 # peak 278' 185 1 185 53 rr_2dx3 1 185 'peak 387' 186 40 186 52 rr_2dx3 1 186 'peak 391' 187 40 187 52 rr_2dx3 1 187 'peak 390' 188 40 188 52 rr_2dx3 1 188 '5 LEU HA 6 ALA HN 3.30 # peak 23' 189 1 189 53 rr_2dx3 1 189 'peak 389' 190 40 190 52 rr_2dx3 1 190 '5 LEU HA 7 HIS+ HD2 5.50 # peak 72' 191 1 191 53 rr_2dx3 1 191 '5 LEU HA 12 TYR QD 7.64 # peak 73' 192 1 192 53 rr_2dx3 1 192 '5 LEU HA 12 TYR QE 7.20 # peak 59' 193 1 193 53 rr_2dx3 1 193 '5 LEU HA 13 ILE QD1 6.53 # peak 394' 194 1 194 53 rr_2dx3 1 194 'peak 488' 195 40 195 52 rr_2dx3 1 195 'peak 487' 196 40 196 52 rr_2dx3 1 196 'peak 262' 197 40 197 52 rr_2dx3 1 197 'peak 395' 198 40 198 52 rr_2dx3 1 198 '5 LEU QB 7 HIS+ HD2 6.38 # peak 297' 199 1 199 53 rr_2dx3 1 199 '5 LEU QB 12 TYR QD 8.52 # peak 298' 200 1 200 53 rr_2dx3 1 200 'peak 231' 201 40 201 52 rr_2dx3 1 201 '5 LEU QD1 6 ALA HA 3.52 # peak 398' 202 1 202 53 rr_2dx3 1 202 'peak 465' 203 40 203 52 rr_2dx3 1 203 '5 LEU QD1 7 HIS+ HB2 6.37 # peak 458' 204 1 204 53 rr_2dx3 1 204 '5 LEU QD1 7 HIS+ HD2 5.75 # peak 310' 205 1 205 53 rr_2dx3 1 205 '5 LEU QD2 6 ALA HA 6.53 # peak 397' 206 1 206 53 rr_2dx3 1 206 'peak 468' 207 40 207 52 rr_2dx3 1 207 '5 LEU QD2 7 HIS+ HB2 6.53 # peak 456' 208 1 208 53 rr_2dx3 1 208 '5 LEU QD2 7 HIS+ HD2 3.43 # peak 495' 209 1 209 53 rr_2dx3 1 209 'peak 492' 210 40 210 52 rr_2dx3 1 210 '5 LEU QD2 14 VAL HA 3.71 # peak 373' 211 1 211 53 rr_2dx3 1 211 'peak 27' 212 40 212 52 rr_2dx3 1 212 '6 ALA HN 6 ALA QB 4.45 # peak 270' 213 1 213 53 rr_2dx3 1 213 'peak 147' 214 40 214 52 rr_2dx3 1 214 'peak 266' 215 40 215 52 rr_2dx3 1 215 'peak 396' 216 40 216 52 rr_2dx3 1 216 '6 ALA HA 7 HIS+ HN 2.83 # peak 17' 217 1 217 53 rr_2dx3 1 217 '6 ALA HA 7 HIS+ HA 4.76 # peak 361' 218 1 218 53 rr_2dx3 1 218 '6 ALA HA 7 HIS+ HB2 3.98 # peak 352' 219 1 219 53 rr_2dx3 1 219 'peak 74' 220 40 220 52 rr_2dx3 1 220 '6 ALA HA 13 ILE HN 4.48 # peak 43' 221 1 221 53 rr_2dx3 1 221 'peak 268' 222 40 222 52 rr_2dx3 1 222 'peak 428' 223 40 223 52 rr_2dx3 1 223 'peak 455' 224 40 224 52 rr_2dx3 1 224 '6 ALA QB 7 HIS+ HB3 5.54 # peak 447' 225 1 225 53 rr_2dx3 1 225 'peak 305' 226 40 226 52 rr_2dx3 1 226 'peak 245' 227 40 227 52 rr_2dx3 1 227 'peak 255' 228 40 228 52 rr_2dx3 1 228 'peak 493' 229 40 229 52 rr_2dx3 1 229 'peak 494' 230 40 230 52 rr_2dx3 1 230 '6 ALA QB 13 ILE HB 4.79 # peak 481' 231 1 231 53 rr_2dx3 1 231 '6 ALA QB 13 ILE QG2 7.56 # peak 467' 232 1 232 53 rr_2dx3 1 232 '6 ALA QB 13 ILE QD1 7.56 # peak 466' 233 1 233 53 rr_2dx3 1 233 '6 ALA QB 15 HIS+ HD2 6.53 # peak 304' 234 1 234 53 rr_2dx3 1 234 'peak 106' 235 40 235 52 rr_2dx3 1 235 '7 HIS+ HN 7 HIS+ HB3 3.05 # peak 100' 236 1 236 53 rr_2dx3 1 236 'peak 155' 237 40 237 52 rr_2dx3 1 237 '7 HIS+ HN 12 TYR QE 7.63 # peak 199' 238 1 238 53 rr_2dx3 1 238 'peak 338' 239 40 239 52 rr_2dx3 1 239 'peak 68' 240 40 240 52 rr_2dx3 1 240 '7 HIS+ HA 7 HIS+ HE1 5.50 # peak 46' 241 1 241 53 rr_2dx3 1 241 '7 HIS+ HA 8 ALA HN 2.74 # peak 7' 242 1 242 53 rr_2dx3 1 242 '7 HIS+ HA 8 ALA QB 4.82 # peak 427' 243 1 243 53 rr_2dx3 1 243 'peak 33' 244 40 244 52 rr_2dx3 1 244 'peak 34' 245 40 245 52 rr_2dx3 1 245 'peak 354' 246 40 246 52 rr_2dx3 1 246 'peak 128' 247 40 247 52 rr_2dx3 1 247 'peak 124' 248 40 248 52 rr_2dx3 1 248 '7 HIS+ HB3 8 ALA QB 5.29 # peak 446' 249 1 249 53 rr_2dx3 1 249 'peak 153' 250 40 250 52 rr_2dx3 1 250 'peak 300' 251 40 251 52 rr_2dx3 1 251 '7 HIS+ HD2 11 GLY HN 3.98 # peak 154' 252 1 252 53 rr_2dx3 1 252 '7 HIS+ HD2 12 TYR HN 5.00 # peak 170' 253 1 253 53 rr_2dx3 1 253 '7 HIS+ HD2 12 TYR QE 7.63 # peak 220' 254 1 254 53 rr_2dx3 1 254 '7 HIS+ HD2 14 VAL QG1 4.33 # peak 312' 255 1 255 53 rr_2dx3 1 255 '7 HIS+ HE1 8 ALA QB 3.71 # peak 243' 256 1 256 53 rr_2dx3 1 256 'peak 16' 257 40 257 52 rr_2dx3 1 257 'peak 264' 258 40 258 52 rr_2dx3 1 258 'peak 142' 259 40 259 52 rr_2dx3 1 259 '8 ALA HN 13 ILE HB 5.50 # peak 258' 260 1 260 53 rr_2dx3 1 260 '8 ALA HN 13 ILE QG2 6.53 # peak 239' 261 1 261 53 rr_2dx3 1 261 'peak 363' 262 40 262 52 rr_2dx3 1 262 '8 ALA HA 13 ILE QG2 5.23 # peak 383' 263 1 263 53 rr_2dx3 1 263 '8 ALA HA 13 ILE QD1 6.53 # peak 382' 264 1 264 53 rr_2dx3 1 264 'peak 253' 265 40 265 52 rr_2dx3 1 265 '9 LYS+ HN 9 LYS+ HB2 3.24 # peak 248' 266 1 266 53 rr_2dx3 1 266 'peak 246' 267 40 267 52 rr_2dx3 1 267 'peak 250' 268 40 268 52 rr_2dx3 1 268 'peak 105' 269 40 269 52 rr_2dx3 1 269 'peak 169' 270 40 270 52 rr_2dx3 1 270 'peak 385' 271 40 271 52 rr_2dx3 1 271 'peak 384' 272 40 272 52 rr_2dx3 1 272 'peak 388' 273 40 273 52 rr_2dx3 1 273 'peak 386' 274 40 274 52 rr_2dx3 1 274 'peak 341' 275 40 275 52 rr_2dx3 1 275 '9 LYS+ HA 10 ALA HN 2.74 # peak 21' 276 1 276 53 rr_2dx3 1 276 'peak 462' 277 40 277 52 rr_2dx3 1 277 'peak 249' 278 40 278 52 rr_2dx3 1 278 'peak 461' 279 40 279 52 rr_2dx3 1 279 'peak 247' 280 40 280 52 rr_2dx3 1 280 'peak 478' 281 40 281 52 rr_2dx3 1 281 'peak 464' 282 40 282 52 rr_2dx3 1 282 'peak 252' 283 40 283 52 rr_2dx3 1 283 '9 LYS+ QG 12 TYR HA 6.38 # peak 421' 284 1 284 53 rr_2dx3 1 284 'peak 325' 285 40 285 52 rr_2dx3 1 285 'peak 463' 286 40 286 52 rr_2dx3 1 286 'peak 251' 287 40 287 52 rr_2dx3 1 287 'peak 296' 288 40 288 52 rr_2dx3 1 288 'peak 254' 289 40 289 52 rr_2dx3 1 289 'peak 109' 290 40 290 52 rr_2dx3 1 290 'peak 158' 291 40 291 52 rr_2dx3 1 291 'peak 381' 292 40 292 52 rr_2dx3 1 292 '10 ALA HA 11 GLY HN 2.56 # peak 20' 293 1 293 53 rr_2dx3 1 293 '10 ALA HA 11 GLY HA1 3.36 # peak 364' 294 1 294 53 rr_2dx3 1 294 'peak 22' 295 40 295 52 rr_2dx3 1 295 'peak 376' 296 40 296 52 rr_2dx3 1 296 'peak 371' 297 40 297 52 rr_2dx3 1 297 'peak 265' 298 40 298 52 rr_2dx3 1 298 '10 ALA QB 12 TYR QB 6.97 # peak 454' 299 1 299 53 rr_2dx3 1 299 '10 ALA QB 12 TYR QD 8.39 # peak 301' 300 1 300 53 rr_2dx3 1 300 '10 ALA QB 12 TYR QE 8.66 # peak 326' 301 1 301 53 rr_2dx3 1 301 '10 ALA QB 13 ILE HA 3.49 # peak 402' 302 1 302 53 rr_2dx3 1 302 'peak 13' 303 40 303 52 rr_2dx3 1 303 'peak 9' 304 40 304 52 rr_2dx3 1 304 'peak 143' 305 40 305 52 rr_2dx3 1 305 'peak 157' 306 40 306 52 rr_2dx3 1 306 'peak 356' 307 40 307 52 rr_2dx3 1 307 '11 GLY HA1 12 TYR HN 3.24 # peak 14' 308 1 308 53 rr_2dx3 1 308 '11 GLY HA1 12 TYR QB 5.38 # peak 344' 309 1 309 53 rr_2dx3 1 309 'peak 81' 310 40 310 52 rr_2dx3 1 310 'peak 38' 311 40 311 52 rr_2dx3 1 311 '11 GLY HA2 12 TYR HN 3.24 # peak 10' 312 1 312 53 rr_2dx3 1 312 '11 GLY HA2 12 TYR QB 5.29 # peak 342' 313 1 313 53 rr_2dx3 1 313 'peak 78' 314 40 314 52 rr_2dx3 1 314 'peak 40' 315 40 315 52 rr_2dx3 1 315 'peak 6' 316 40 316 52 rr_2dx3 1 316 'peak 108' 317 40 317 52 rr_2dx3 1 317 'peak 161' 318 40 318 52 rr_2dx3 1 318 'peak 165' 319 40 319 52 rr_2dx3 1 319 'peak 146' 320 40 320 52 rr_2dx3 1 320 '12 TYR HN 13 ILE HB 4.29 # peak 260' 321 1 321 53 rr_2dx3 1 321 'peak 276' 322 40 322 52 rr_2dx3 1 322 'peak 236' 323 40 323 52 rr_2dx3 1 323 'peak 232' 324 40 324 52 rr_2dx3 1 324 'peak 336' 325 40 325 52 rr_2dx3 1 325 'peak 69' 326 40 326 52 rr_2dx3 1 326 'peak 57' 327 40 327 52 rr_2dx3 1 327 '12 TYR HA 13 ILE HN 2.65 # peak 4' 328 1 328 53 rr_2dx3 1 328 '12 TYR HA 13 ILE HA 4.41 # peak 362' 329 1 329 53 rr_2dx3 1 329 '12 TYR HA 13 ILE HB 3.83 # peak 418' 330 1 330 53 rr_2dx3 1 330 'peak 426' 331 40 331 52 rr_2dx3 1 331 'peak 425' 332 40 332 52 rr_2dx3 1 332 'peak 129' 333 40 333 52 rr_2dx3 1 333 'peak 131' 334 40 334 52 rr_2dx3 1 334 'peak 107' 335 40 335 52 rr_2dx3 1 335 'peak 353' 336 40 336 52 rr_2dx3 1 336 '12 TYR QB 13 ILE QG2 7.40 # peak 460' 337 1 337 53 rr_2dx3 1 337 'peak 459' 338 40 338 52 rr_2dx3 1 338 '12 TYR QB 14 VAL QG2 7.40 # peak 457' 339 1 339 53 rr_2dx3 1 339 'peak 127' 340 40 340 52 rr_2dx3 1 340 'peak 203' 341 40 341 52 rr_2dx3 1 341 'peak 160' 342 40 342 52 rr_2dx3 1 342 'peak 76' 343 40 343 52 rr_2dx3 1 343 'peak 295' 344 40 344 52 rr_2dx3 1 344 'peak 159' 345 40 345 52 rr_2dx3 1 345 '12 TYR QD 14 VAL HB 7.64 # peak 293' 346 1 346 53 rr_2dx3 1 346 '12 TYR QD 14 VAL QG1 8.67 # peak 316' 347 1 347 53 rr_2dx3 1 347 '12 TYR QD 14 VAL QG2 8.67 # peak 314' 348 1 348 53 rr_2dx3 1 348 'peak 200' 349 40 349 52 rr_2dx3 1 349 'peak 60' 350 40 350 52 rr_2dx3 1 350 '12 TYR QE 14 VAL HA 7.63 # peak 61' 351 1 351 53 rr_2dx3 1 351 '12 TYR QE 14 VAL HB 7.63 # peak 323' 352 1 352 53 rr_2dx3 1 352 '12 TYR QE 14 VAL QG1 8.66 # peak 322' 353 1 353 53 rr_2dx3 1 353 '12 TYR QE 14 VAL QG2 8.66 # peak 318' 354 1 354 53 rr_2dx3 1 354 'peak 198' 355 40 355 52 rr_2dx3 1 355 'peak 213' 356 40 356 52 rr_2dx3 1 356 'peak 19' 357 40 357 52 rr_2dx3 1 357 '13 ILE HN 13 ILE HB 3.18 # peak 259' 358 1 358 53 rr_2dx3 1 358 'peak 275' 359 40 359 52 rr_2dx3 1 359 'peak 274' 360 40 360 52 rr_2dx3 1 360 'peak 263' 361 40 361 52 rr_2dx3 1 361 'peak 235' 362 40 362 52 rr_2dx3 1 362 'peak 221' 363 40 363 52 rr_2dx3 1 363 'peak 400' 364 40 364 52 rr_2dx3 1 364 'peak 408' 365 40 365 52 rr_2dx3 1 365 '13 ILE HA 13 ILE HG12 3.67 # peak 405' 366 1 366 53 rr_2dx3 1 366 'peak 401' 367 40 367 52 rr_2dx3 1 367 'peak 407' 368 40 368 52 rr_2dx3 1 368 '13 ILE HA 14 VAL HN 2.83 # peak 18' 369 1 369 53 rr_2dx3 1 369 '13 ILE HA 14 VAL HA 3.86 # peak 365' 370 1 370 53 rr_2dx3 1 370 '13 ILE HA 14 VAL HB 3.98 # peak 399' 371 1 371 53 rr_2dx3 1 371 'peak 406' 372 40 372 52 rr_2dx3 1 372 'peak 39' 373 40 373 52 rr_2dx3 1 373 'peak 42' 374 40 374 52 rr_2dx3 1 374 'peak 475' 375 40 375 52 rr_2dx3 1 375 'peak 480' 376 40 376 52 rr_2dx3 1 376 'peak 477' 377 40 377 52 rr_2dx3 1 377 'peak 474' 378 40 378 52 rr_2dx3 1 378 '13 ILE HB 14 VAL HN 3.61 # peak 257' 379 1 379 53 rr_2dx3 1 379 'peak 473' 380 40 380 52 rr_2dx3 1 380 'peak 294' 381 40 381 52 rr_2dx3 1 381 'peak 486' 382 40 382 52 rr_2dx3 1 382 'peak 491' 383 40 383 52 rr_2dx3 1 383 '13 ILE QG2 15 HIS+ HB3 6.16 # peak 451' 384 1 384 53 rr_2dx3 1 384 '13 ILE QG2 15 HIS+ HE1 6.53 # peak 237' 385 1 385 53 rr_2dx3 1 385 'peak 450' 386 40 386 52 rr_2dx3 1 386 'peak 445' 387 40 387 52 rr_2dx3 1 387 'peak 482' 388 40 388 52 rr_2dx3 1 388 'peak 485' 389 40 389 52 rr_2dx3 1 389 'peak 273' 390 40 390 52 rr_2dx3 1 390 'peak 490' 391 40 391 52 rr_2dx3 1 391 'peak 234' 392 40 392 52 rr_2dx3 1 392 '13 ILE QD1 15 HIS+ HA 6.53 # peak 415' 393 1 393 53 rr_2dx3 1 393 '13 ILE QD1 15 HIS+ HE1 4.02 # peak 233' 394 1 394 53 rr_2dx3 1 394 'peak 12' 395 40 395 52 rr_2dx3 1 395 '14 VAL HN 14 VAL HB 3.27 # peak 256' 396 1 396 53 rr_2dx3 1 396 'peak 238' 397 40 397 52 rr_2dx3 1 397 'peak 229' 398 40 398 52 rr_2dx3 1 398 'peak 138' 399 40 399 52 rr_2dx3 1 399 'peak 193' 400 40 400 52 rr_2dx3 1 400 'peak 189' 401 40 401 52 rr_2dx3 1 401 'peak 372' 402 40 402 52 rr_2dx3 1 402 'peak 375' 403 40 403 52 rr_2dx3 1 403 'peak 374' 404 40 404 52 rr_2dx3 1 404 '14 VAL HA 15 HIS+ HN 2.77 # peak 11' 405 1 405 53 rr_2dx3 1 405 '14 VAL HA 15 HIS+ HB2 3.86 # peak 343' 406 1 406 53 rr_2dx3 1 406 '14 VAL HA 15 HIS+ HB3 3.61 # peak 351' 407 1 407 53 rr_2dx3 1 407 'peak 80' 408 40 408 52 rr_2dx3 1 408 '14 VAL HA 16 TRP HA 3.98 # peak 359' 409 1 409 53 rr_2dx3 1 409 '14 VAL HA 16 TRP HD1 5.50 # peak 79' 410 1 410 53 rr_2dx3 1 410 'peak 470' 411 40 411 52 rr_2dx3 1 411 'peak 469' 412 40 412 52 rr_2dx3 1 412 'peak 242' 413 40 413 52 rr_2dx3 1 413 '14 VAL HB 16 TRP HD1 5.13 # peak 292' 414 1 414 53 rr_2dx3 1 414 'peak 483' 415 40 415 52 rr_2dx3 1 415 'peak 240' 416 40 416 52 rr_2dx3 1 416 'peak 311' 417 40 417 52 rr_2dx3 1 417 '14 VAL QG1 16 TRP HN 5.66 # peak 241' 418 1 418 53 rr_2dx3 1 418 '14 VAL QG1 16 TRP HA 5.32 # peak 417' 419 1 419 53 rr_2dx3 1 419 '14 VAL QG1 16 TRP HD1 5.91 # peak 313' 420 1 420 53 rr_2dx3 1 420 '14 VAL QG1 16 TRP HE3 6.00 # peak 290' 421 1 421 53 rr_2dx3 1 421 '14 VAL QG1 16 TRP HZ2 6.53 # peak 291' 422 1 422 53 rr_2dx3 1 422 'peak 227' 423 40 423 52 rr_2dx3 1 423 'peak 309' 424 40 424 52 rr_2dx3 1 424 '14 VAL QG2 16 TRP HN 4.73 # peak 228' 425 1 425 53 rr_2dx3 1 425 '14 VAL QG2 16 TRP HA 6.22 # peak 413' 426 1 426 53 rr_2dx3 1 426 '14 VAL QG2 16 TRP HD1 5.35 # peak 308' 427 1 427 53 rr_2dx3 1 427 '14 VAL QG2 16 TRP HE3 5.26 # peak 288' 428 1 428 53 rr_2dx3 1 428 '14 VAL QG2 16 TRP HZ2 5.85 # peak 289' 429 1 429 53 rr_2dx3 1 429 'peak 30' 430 40 430 52 rr_2dx3 1 430 '15 HIS+ HN 15 HIS+ HB2 3.33 # peak 103' 431 1 431 53 rr_2dx3 1 431 '15 HIS+ HN 15 HIS+ HB3 3.42 # peak 102' 432 1 432 53 rr_2dx3 1 432 'peak 151' 433 40 433 52 rr_2dx3 1 433 'peak 141' 434 40 434 52 rr_2dx3 1 434 '15 HIS+ HN 16 TRP HD1 2.40 # peak 191' 435 1 435 53 rr_2dx3 1 435 'peak 329' 436 40 436 52 rr_2dx3 1 436 'peak 340' 437 40 437 52 rr_2dx3 1 437 '15 HIS+ HA 16 TRP HN 2.71 # peak 32' 438 1 438 53 rr_2dx3 1 438 'peak 355' 439 40 439 52 rr_2dx3 1 439 'peak 126' 440 40 440 52 rr_2dx3 1 440 'peak 104' 441 40 441 52 rr_2dx3 1 441 '15 HIS+ HB2 17 THR QG2 3.71 # peak 453' 442 1 442 53 rr_2dx3 1 442 'peak 125' 443 40 443 52 rr_2dx3 1 443 '15 HIS+ HB3 17 THR QG2 6.40 # peak 452' 444 1 444 53 rr_2dx3 1 444 'peak 152' 445 40 445 52 rr_2dx3 1 445 'peak 192' 446 40 446 52 rr_2dx3 1 446 'peak 63' 447 40 447 52 rr_2dx3 1 447 'peak 194' 448 40 448 52 rr_2dx3 1 448 '16 TRP HN 16 TRP HB2 2.96 # peak 99' 449 1 449 53 rr_2dx3 1 449 'peak 96' 450 40 450 52 rr_2dx3 1 450 'peak 149' 451 40 451 52 rr_2dx3 1 451 'peak 173' 452 40 452 52 rr_2dx3 1 452 'peak 334' 453 40 453 52 rr_2dx3 1 453 'peak 333' 454 40 454 52 rr_2dx3 1 454 '16 TRP HA 16 TRP HD1 4.11 # peak 65' 455 1 455 53 rr_2dx3 1 455 '16 TRP HA 16 TRP HE3 4.07 # peak 49' 456 1 456 53 rr_2dx3 1 456 '16 TRP HA 16 TRP HZ2 5.50 # peak 83' 457 1 457 53 rr_2dx3 1 457 '16 TRP HA 17 THR HN 2.96 # peak 36' 458 1 458 53 rr_2dx3 1 458 'peak 360' 459 40 459 52 rr_2dx3 1 459 'peak 411' 460 40 460 52 rr_2dx3 1 460 'peak 123' 461 40 461 52 rr_2dx3 1 461 'peak 101' 462 40 462 52 rr_2dx3 1 462 'peak 120' 463 40 463 52 rr_2dx3 1 463 'peak 97' 464 40 464 52 rr_2dx3 1 464 '16 TRP HB3 17 THR HA 2.93 # peak 349' 465 1 465 53 rr_2dx3 1 465 'peak 444' 466 40 466 52 rr_2dx3 1 466 '16 TRP HD1 16 TRP HE3 3.64 # peak 205' 467 1 467 53 rr_2dx3 1 467 'peak 182' 468 40 468 52 rr_2dx3 1 468 '16 TRP HD1 16 TRP HZ2 2.59 # peak 207' 469 1 469 53 rr_2dx3 1 469 'peak 150' 470 40 470 52 rr_2dx3 1 470 'peak 82' 471 40 471 52 rr_2dx3 1 471 'peak 75' 472 40 472 52 rr_2dx3 1 472 'peak 306' 473 40 473 52 rr_2dx3 1 473 '16 TRP HD1 18 ALA HA 5.50 # peak 77' 474 1 474 53 rr_2dx3 1 474 'peak 176' 475 40 475 52 rr_2dx3 1 475 '16 TRP HE3 17 THR HA 4.72 # peak 47' 476 1 476 53 rr_2dx3 1 476 'peak 51' 477 40 477 52 rr_2dx3 1 477 'peak 287' 478 40 478 52 rr_2dx3 1 478 'peak 180' 479 40 479 52 rr_2dx3 1 479 'peak 186' 480 40 480 52 rr_2dx3 1 480 '16 TRP HZ2 18 ALA HA 5.50 # peak 496' 481 1 481 53 rr_2dx3 1 481 '17 THR HN 17 THR HA 2.74 # peak 25' 482 1 482 53 rr_2dx3 1 482 '17 THR HN 17 THR HB 2.40 # peak 28' 483 1 483 53 rr_2dx3 1 483 'peak 271' 484 40 484 52 rr_2dx3 1 484 'peak 393' 485 40 485 52 rr_2dx3 1 485 '17 THR HA 18 ALA HN 3.11 # peak 26' 486 1 486 53 rr_2dx3 1 486 'peak 392' 487 40 487 52 rr_2dx3 1 487 'peak 404' 488 40 488 52 rr_2dx3 1 488 'peak 29' 489 40 489 52 rr_2dx3 1 489 'peak 403' 490 40 490 52 rr_2dx3 1 490 'peak 272' 491 40 491 52 rr_2dx3 1 491 'peak 409' 492 40 492 52 rr_2dx3 1 492 'peak 8' 493 40 493 52 rr_2dx3 1 493 'peak 267' 494 40 494 52 rr_2dx3 1 494 'peak 377' 495 40 495 52 rr_2dx3 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_2dx3 _Org_constr_file_comment.ID 1 _Org_constr_file_comment.Constraint_file_ID 1 _Org_constr_file_comment.Block_ID 1 _Org_constr_file_comment.Details 'Generated by Wattos' _Org_constr_file_comment.Comment '*HEADER DE NOVO PROTEIN 23-AUG-06 2DX3 *TITLE NMR STRUCTURE OF DP5_CONFORMATION1: MONOMERIC ALPHA-HELIX *COMPND MOL_ID: 1; *COMPND 2 MOLECULE: DP5_CONFORMATION1; *COMPND 3 CHAIN: A; *COMPND 4 ENGINEERED: YES *SOURCE MOL_ID: 1; *SOURCE 2 SYNTHETIC: YES; *SOURCE 3 OTHER_DETAILS: THE PEPTIDE WAS CHEMICALLY SYNTHESIZED AND *SOURCE 4 DOES NOT APPEAR TO OCCUR IN NATURE. THIS SEQUENCE WAS *SOURCE 5 DESIGNED BASED ON A STRATEGY. *KEYWDS ALPHA-HELIX *EXPDTA NMR, 10 STRUCTURES *AUTHOR A.TAMURA, M.ARAKI *REVDAT 1 02-JAN-07 2DX3 0' save_