data_Remediated_restraints_file_for_PDB_entry_2dx4 # This BMRB archive file contains, for PDB entry 2dx4: # # - 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_2dx4 _Entry.Title 'wwPDB remediated NMR restraints for PDB entry 2dx4' _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 2dx4' _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 2dx4 'Master copy' rr_2dx4 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID rr_2dx4 _Assembly.ID 1 _Assembly.Name 2dx4 _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 conformation2' 1 $DP5_conformation2 A . no . . . . . . rr_2dx4 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_DP5_conformation2 _Entity.Sf_category entity _Entity.Sf_framecode DP5_conformation2 _Entity.Entry_ID rr_2dx4 _Entity.ID 1 _Entity.Name DP5_conformation2 _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_2dx4 1 2 . ASN . rr_2dx4 1 3 . TYR . rr_2dx4 1 4 . TRP . rr_2dx4 1 5 . LEU . rr_2dx4 1 6 . ALA . rr_2dx4 1 7 . HIS . rr_2dx4 1 8 . ALA . rr_2dx4 1 9 . LYS . rr_2dx4 1 10 . ALA . rr_2dx4 1 11 . GLY . rr_2dx4 1 12 . TYR . rr_2dx4 1 13 . ILE . rr_2dx4 1 14 . VAL . rr_2dx4 1 15 . HIS . rr_2dx4 1 16 . TRP . rr_2dx4 1 17 . THR . rr_2dx4 1 18 . ALA . rr_2dx4 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_2dx4 1 . ASN 2 2 rr_2dx4 1 . TYR 3 3 rr_2dx4 1 . TRP 4 4 rr_2dx4 1 . LEU 5 5 rr_2dx4 1 . ALA 6 6 rr_2dx4 1 . HIS 7 7 rr_2dx4 1 . ALA 8 8 rr_2dx4 1 . LYS 9 9 rr_2dx4 1 . ALA 10 10 rr_2dx4 1 . GLY 11 11 rr_2dx4 1 . TYR 12 12 rr_2dx4 1 . ILE 13 13 rr_2dx4 1 . VAL 14 14 rr_2dx4 1 . HIS 15 15 rr_2dx4 1 . TRP 16 16 rr_2dx4 1 . THR 17 17 rr_2dx4 1 . ALA 18 18 rr_2dx4 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_2dx4 _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_2dx4 _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_2dx4 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_2dx4 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 1.710 -4.694 7.471 . . . 1.0 . . . . . . . . . . . . A . 1 ILE C . . . . . . . . . rr_2dx4 1 . 1 . 2 . 1 1 1 ILE CA C 2.630 -4.262 8.615 . . . 1.0 . . . . . . . . . . . . A . 1 ILE CA . . . . . . . . . rr_2dx4 1 . 1 . 3 . 1 1 1 ILE CB C 3.890 -5.120 8.747 . . . 1.0 . . . . . . . . . . . . A . 1 ILE CB . . . . . . . . . rr_2dx4 1 . 1 . 4 . 1 1 1 ILE CD1 C 5.078 -5.703 10.894 . . . 1.0 . . . . . . . . . . . . A . 1 ILE CD1 . . . . . . . . . rr_2dx4 1 . 1 . 5 . 1 1 1 ILE CG1 C 4.790 -4.602 9.871 . . . 1.0 . . . . . . . . . . . . A . 1 ILE CG1 . . . . . . . . . rr_2dx4 1 . 1 . 6 . 1 1 1 ILE CG2 C 4.634 -5.211 7.413 . . . 1.0 . . . . . . . . . . . . A . 1 ILE CG2 . . . . . . . . . rr_2dx4 1 . 1 . 7 . 1 1 1 ILE H1 H 2.441 -4.262 10.689 . . . 1.0 . . . . . . . . . . . . A . 1 ILE H1 . . . . . . . . . rr_2dx4 1 . 1 . 8 . 1 1 1 ILE HA H 2.955 -3.239 8.429 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HA . . . . . . . . . rr_2dx4 1 . 1 . 9 . 1 1 1 ILE HB H 3.588 -6.132 9.016 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HB . . . . . . . . . rr_2dx4 1 . 1 . 10 . 1 1 1 ILE HD11 H 5.171 -5.261 11.886 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HD11 . . . . . . . . . rr_2dx4 1 . 1 . 11 . 1 1 1 ILE HD12 H 4.260 -6.423 10.892 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HD12 . . . . . . . . . rr_2dx4 1 . 1 . 12 . 1 1 1 ILE HD13 H 6.007 -6.208 10.632 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HD13 . . . . . . . . . rr_2dx4 1 . 1 . 13 . 1 1 1 ILE HG12 H 5.728 -4.237 9.451 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HG12 . . . . . . . . . rr_2dx4 1 . 1 . 14 . 1 1 1 ILE HG13 H 4.311 -3.757 10.365 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HG13 . . . . . . . . . rr_2dx4 1 . 1 . 15 . 1 1 1 ILE HG21 H 4.791 -4.208 7.015 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HG21 . . . . . . . . . rr_2dx4 1 . 1 . 16 . 1 1 1 ILE HG22 H 5.598 -5.696 7.566 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HG22 . . . . . . . . . rr_2dx4 1 . 1 . 17 . 1 1 1 ILE HG23 H 4.043 -5.793 6.706 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HG23 . . . . . . . . . rr_2dx4 1 . 1 . 18 . 1 1 1 ILE N N 1.882 -4.262 9.860 . . . 1.0 . . . . . . . . . . . . A . 1 ILE N . . . . . . . . . rr_2dx4 1 . 1 . 19 . 1 1 1 ILE O O 0.619 -5.211 7.709 . . . 1.0 . . . . . . . . . . . . A . 1 ILE O . . . . . . . . . rr_2dx4 1 . 1 . 20 . 1 1 2 ASN C C 0.358 -3.753 4.812 . . . 1.0 . . . . . . . . . . . . A . 2 ASN C . . . . . . . . . rr_2dx4 1 . 1 . 21 . 1 1 2 ASN CA C 1.416 -4.827 5.074 . . . 1.0 . . . . . . . . . . . . A . 2 ASN CA . . . . . . . . . rr_2dx4 1 . 1 . 22 . 1 1 2 ASN CB C 0.696 -6.162 5.271 . . . 1.0 . . . . . . . . . . . . A . 2 ASN CB . . . . . . . . . rr_2dx4 1 . 1 . 23 . 1 1 2 ASN CG C 0.508 -6.886 3.936 . . . 1.0 . . . . . . . . . . . . A . 2 ASN CG . . . . . . . . . rr_2dx4 1 . 1 . 24 . 1 1 2 ASN H H 3.071 -4.047 6.070 . . . 1.0 . . . . . . . . . . . . A . 2 ASN H . . . . . . . . . rr_2dx4 1 . 1 . 25 . 1 1 2 ASN HA H 2.147 -4.898 4.269 . . . 1.0 . . . . . . . . . . . . A . 2 ASN HA . . . . . . . . . rr_2dx4 1 . 1 . 26 . 1 1 2 ASN HB2 H 1.268 -6.792 5.952 . . . 1.0 . . . . . . . . . . . . A . 2 ASN HB2 . . . . . . . . . rr_2dx4 1 . 1 . 27 . 1 1 2 ASN HB3 H -0.276 -5.991 5.735 . . . 1.0 . . . . . . . . . . . . A . 2 ASN HB3 . . . . . . . . . rr_2dx4 1 . 1 . 28 . 1 1 2 ASN HD21 H -0.533 -5.283 3.268 . . . 1.0 . . . . . . . . . . . . A . 2 ASN HD21 . . . . . . . . . rr_2dx4 1 . 1 . 29 . 1 1 2 ASN HD22 H -0.363 -6.581 2.134 . . . 1.0 . . . . . . . . . . . . A . 2 ASN HD22 . . . . . . . . . rr_2dx4 1 . 1 . 30 . 1 1 2 ASN N N 2.183 -4.468 6.255 . . . 1.0 . . . . . . . . . . . . A . 2 ASN N . . . . . . . . . rr_2dx4 1 . 1 . 31 . 1 1 2 ASN ND2 N -0.187 -6.193 3.038 . . . 1.0 . . . . . . . . . . . . A . 2 ASN ND2 . . . . . . . . . rr_2dx4 1 . 1 . 32 . 1 1 2 ASN O O -0.839 -4.017 4.916 . . . 1.0 . . . . . . . . . . . . A . 2 ASN O . . . . . . . . . rr_2dx4 1 . 1 . 33 . 1 1 2 ASN OD1 O 0.964 -7.999 3.734 . . . 1.0 . . . . . . . . . . . . A . 2 ASN OD1 . . . . . . . . . rr_2dx4 1 . 1 . 34 . 1 1 3 TYR C C -0.232 -1.254 2.693 . . . 1.0 . . . . . . . . . . . . A . 3 TYR C . . . . . . . . . rr_2dx4 1 . 1 . 35 . 1 1 3 TYR CA C -0.052 -1.449 4.200 . . . 1.0 . . . . . . . . . . . . A . 3 TYR CA . . . . . . . . . rr_2dx4 1 . 1 . 36 . 1 1 3 TYR CB C 0.630 -0.211 4.785 . . . 1.0 . . . . . . . . . . . . A . 3 TYR CB . . . . . . . . . rr_2dx4 1 . 1 . 37 . 1 1 3 TYR CD1 C 0.180 -0.286 7.265 . . . 1.0 . . . . . . . . . . . . A . 3 TYR CD1 . . . . . . . . . rr_2dx4 1 . 1 . 38 . 1 1 3 TYR CD2 C 2.421 -0.629 6.509 . . . 1.0 . . . . . . . . . . . . A . 3 TYR CD2 . . . . . . . . . rr_2dx4 1 . 1 . 39 . 1 1 3 TYR CE1 C 0.615 -0.445 8.628 . . . 1.0 . . . . . . . . . . . . A . 3 TYR CE1 . . . . . . . . . rr_2dx4 1 . 1 . 40 . 1 1 3 TYR CE2 C 2.857 -0.789 7.873 . . . 1.0 . . . . . . . . . . . . A . 3 TYR CE2 . . . . . . . . . rr_2dx4 1 . 1 . 41 . 1 1 3 TYR CG C 1.092 -0.380 6.234 . . . 1.0 . . . . . . . . . . . . A . 3 TYR CG . . . . . . . . . rr_2dx4 1 . 1 . 42 . 1 1 3 TYR CZ C 1.932 -0.689 8.865 . . . 1.0 . . . . . . . . . . . . A . 3 TYR CZ . . . . . . . . . rr_2dx4 1 . 1 . 43 . 1 1 3 TYR H H 1.813 -2.358 4.396 . . . 1.0 . . . . . . . . . . . . A . 3 TYR H . . . . . . . . . rr_2dx4 1 . 1 . 44 . 1 1 3 TYR HA H -1.020 -1.672 4.649 . . . 1.0 . . . . . . . . . . . . A . 3 TYR HA . . . . . . . . . rr_2dx4 1 . 1 . 45 . 1 1 3 TYR HB2 H 1.491 0.044 4.167 . . . 1.0 . . . . . . . . . . . . A . 3 TYR HB2 . . . . . . . . . rr_2dx4 1 . 1 . 46 . 1 1 3 TYR HB3 H -0.061 0.631 4.732 . . . 1.0 . . . . . . . . . . . . A . 3 TYR HB3 . . . . . . . . . rr_2dx4 1 . 1 . 47 . 1 1 3 TYR HD1 H -0.870 -0.089 7.047 . . . 1.0 . . . . . . . . . . . . A . 3 TYR HD1 . . . . . . . . . rr_2dx4 1 . 1 . 48 . 1 1 3 TYR HD2 H 3.142 -0.704 5.695 . . . 1.0 . . . . . . . . . . . . A . 3 TYR HD2 . . . . . . . . . rr_2dx4 1 . 1 . 49 . 1 1 3 TYR HE1 H -0.095 -0.373 9.452 . . . 1.0 . . . . . . . . . . . . A . 3 TYR HE1 . . . . . . . . . rr_2dx4 1 . 1 . 50 . 1 1 3 TYR HE2 H 3.903 -0.985 8.104 . . . 1.0 . . . . . . . . . . . . A . 3 TYR HE2 . . . . . . . . . rr_2dx4 1 . 1 . 51 . 1 1 3 TYR HH H 2.578 -1.796 10.327 . . . 1.0 . . . . . . . . . . . . A . 3 TYR HH . . . . . . . . . rr_2dx4 1 . 1 . 52 . 1 1 3 TYR N N 0.838 -2.564 4.478 . . . 1.0 . . . . . . . . . . . . A . 3 TYR N . . . . . . . . . rr_2dx4 1 . 1 . 53 . 1 1 3 TYR O O 0.252 -0.274 2.129 . . . 1.0 . . . . . . . . . . . . A . 3 TYR O . . . . . . . . . rr_2dx4 1 . 1 . 54 . 1 1 3 TYR OH O 2.343 -0.840 10.153 . . . 1.0 . . . . . . . . . . . . A . 3 TYR OH . . . . . . . . . rr_2dx4 1 . 1 . 55 . 1 1 4 TRP C C -2.167 -1.007 0.392 . . . 1.0 . . . . . . . . . . . . A . 4 TRP C . . . . . . . . . rr_2dx4 1 . 1 . 56 . 1 1 4 TRP CA C -1.179 -2.146 0.655 . . . 1.0 . . . . . . . . . . . . A . 4 TRP CA . . . . . . . . . rr_2dx4 1 . 1 . 57 . 1 1 4 TRP CB C -1.671 -3.497 0.131 . . . 1.0 . . . . . . . . . . . . A . 4 TRP CB . . . . . . . . . rr_2dx4 1 . 1 . 58 . 1 1 4 TRP CD1 C 0.305 -3.661 -1.520 . . . 1.0 . . . . . . . . . . . . A . 4 TRP CD1 . . . . . . . . . rr_2dx4 1 . 1 . 59 . 1 1 4 TRP CD2 C -0.609 -5.624 -1.053 . . . 1.0 . . . . . . . . . . . . A . 4 TRP CD2 . . . . . . . . . rr_2dx4 1 . 1 . 60 . 1 1 4 TRP CE2 C 0.425 -5.850 -1.938 . . . 1.0 . . . . . . . . . . . . A . 4 TRP CE2 . . . . . . . . . rr_2dx4 1 . 1 . 61 . 1 1 4 TRP CE3 C -1.396 -6.679 -0.559 . . . 1.0 . . . . . . . . . . . . A . 4 TRP CE3 . . . . . . . . . rr_2dx4 1 . 1 . 62 . 1 1 4 TRP CG C -0.677 -4.206 -0.791 . . . 1.0 . . . . . . . . . . . . A . 4 TRP CG . . . . . . . . . rr_2dx4 1 . 1 . 63 . 1 1 4 TRP CH2 C -0.002 -8.191 -1.928 . . . 1.0 . . . . . . . . . . . . A . 4 TRP CH2 . . . . . . . . . rr_2dx4 1 . 1 . 64 . 1 1 4 TRP CZ2 C 0.768 -7.124 -2.406 . . . 1.0 . . . . . . . . . . . . A . 4 TRP CZ2 . . . . . . . . . rr_2dx4 1 . 1 . 65 . 1 1 4 TRP CZ3 C -1.040 -7.946 -1.037 . . . 1.0 . . . . . . . . . . . . A . 4 TRP CZ3 . . . . . . . . . rr_2dx4 1 . 1 . 66 . 1 1 4 TRP H H -1.320 -2.995 2.552 . . . 1.0 . . . . . . . . . . . . A . 4 TRP H . . . . . . . . . rr_2dx4 1 . 1 . 67 . 1 1 4 TRP HA H -0.231 -1.939 0.159 . . . 1.0 . . . . . . . . . . . . A . 4 TRP HA . . . . . . . . . rr_2dx4 1 . 1 . 68 . 1 1 4 TRP HB2 H -1.891 -4.145 0.979 . . . 1.0 . . . . . . . . . . . . A . 4 TRP HB2 . . . . . . . . . rr_2dx4 1 . 1 . 69 . 1 1 4 TRP HB3 H -2.607 -3.347 -0.407 . . . 1.0 . . . . . . . . . . . . A . 4 TRP HB3 . . . . . . . . . rr_2dx4 1 . 1 . 70 . 1 1 4 TRP HD1 H 0.529 -2.594 -1.549 . . . 1.0 . . . . . . . . . . . . A . 4 TRP HD1 . . . . . . . . . rr_2dx4 1 . 1 . 71 . 1 1 4 TRP HE1 H 1.842 -4.442 -2.899 . . . 1.0 . . . . . . . . . . . . A . 4 TRP HE1 . . . . . . . . . rr_2dx4 1 . 1 . 72 . 1 1 4 TRP HE3 H -2.218 -6.526 0.140 . . . 1.0 . . . . . . . . . . . . A . 4 TRP HE3 . . . . . . . . . rr_2dx4 1 . 1 . 73 . 1 1 4 TRP HH2 H 0.212 -9.210 -2.253 . . . 1.0 . . . . . . . . . . . . A . 4 TRP HH2 . . . . . . . . . rr_2dx4 1 . 1 . 74 . 1 1 4 TRP HZ2 H 1.590 -7.277 -3.105 . . . 1.0 . . . . . . . . . . . . A . 4 TRP HZ2 . . . . . . . . . rr_2dx4 1 . 1 . 75 . 1 1 4 TRP HZ3 H -1.618 -8.801 -0.685 . . . 1.0 . . . . . . . . . . . . A . 4 TRP HZ3 . . . . . . . . . rr_2dx4 1 . 1 . 76 . 1 1 4 TRP N N -0.929 -2.202 2.085 . . . 1.0 . . . . . . . . . . . . A . 4 TRP N . . . . . . . . . rr_2dx4 1 . 1 . 77 . 1 1 4 TRP NE1 N 0.999 -4.619 -2.231 . . . 1.0 . . . . . . . . . . . . A . 4 TRP NE1 . . . . . . . . . rr_2dx4 1 . 1 . 78 . 1 1 4 TRP O O -1.760 0.120 0.114 . . . 1.0 . . . . . . . . . . . . A . 4 TRP O . . . . . . . . . rr_2dx4 1 . 1 . 79 . 1 1 5 LEU C C -4.485 0.062 -1.206 . . . 1.0 . . . . . . . . . . . . A . 5 LEU C . . . . . . . . . rr_2dx4 1 . 1 . 80 . 1 1 5 LEU CA C -4.494 -0.361 0.264 . . . 1.0 . . . . . . . . . . . . A . 5 LEU CA . . . . . . . . . rr_2dx4 1 . 1 . 81 . 1 1 5 LEU CB C -4.352 0.808 1.241 . . . 1.0 . . . . . . . . . . . . A . 5 LEU CB . . . . . . . . . rr_2dx4 1 . 1 . 82 . 1 1 5 LEU CD1 C -4.323 2.895 -0.175 . . . 1.0 . . . . . . . . . . . . A . 5 LEU CD1 . . . . . . . . . rr_2dx4 1 . 1 . 83 . 1 1 5 LEU CD2 C -6.525 1.776 0.403 . . . 1.0 . . . . . . . . . . . . A . 5 LEU CD2 . . . . . . . . . rr_2dx4 1 . 1 . 84 . 1 1 5 LEU CG C -5.101 2.089 0.867 . . . 1.0 . . . . . . . . . . . . A . 5 LEU CG . . . . . . . . . rr_2dx4 1 . 1 . 85 . 1 1 5 LEU H H -3.768 -2.260 0.714 . . . 1.0 . . . . . . . . . . . . A . 5 LEU H . . . . . . . . . rr_2dx4 1 . 1 . 86 . 1 1 5 LEU HA H -5.446 -0.846 0.478 . . . 1.0 . . . . . . . . . . . . A . 5 LEU HA . . . . . . . . . rr_2dx4 1 . 1 . 87 . 1 1 5 LEU HB2 H -4.699 0.481 2.221 . . . 1.0 . . . . . . . . . . . . A . 5 LEU HB2 . . . . . . . . . rr_2dx4 1 . 1 . 88 . 1 1 5 LEU HB3 H -3.293 1.046 1.340 . . . 1.0 . . . . . . . . . . . . A . 5 LEU HB3 . . . . . . . . . rr_2dx4 1 . 1 . 89 . 1 1 5 LEU HD11 H -3.992 3.836 0.266 . . . 1.0 . . . . . . . . . . . . A . 5 LEU HD11 . . . . . . . . . rr_2dx4 1 . 1 . 90 . 1 1 5 LEU HD12 H -3.455 2.323 -0.503 . . . 1.0 . . . . . . . . . . . . A . 5 LEU HD12 . . . . . . . . . rr_2dx4 1 . 1 . 91 . 1 1 5 LEU HD13 H -4.967 3.101 -1.030 . . . 1.0 . . . . . . . . . . . . A . 5 LEU HD13 . . . . . . . . . rr_2dx4 1 . 1 . 92 . 1 1 5 LEU HD21 H -6.649 0.697 0.315 . . . 1.0 . . . . . . . . . . . . A . 5 LEU HD21 . . . . . . . . . rr_2dx4 1 . 1 . 93 . 1 1 5 LEU HD22 H -7.238 2.166 1.130 . . . 1.0 . . . . . . . . . . . . A . 5 LEU HD22 . . . . . . . . . rr_2dx4 1 . 1 . 94 . 1 1 5 LEU HD23 H -6.702 2.243 -0.565 . . . 1.0 . . . . . . . . . . . . A . 5 LEU HD23 . . . . . . . . . rr_2dx4 1 . 1 . 95 . 1 1 5 LEU HG H -5.182 2.710 1.759 . . . 1.0 . . . . . . . . . . . . A . 5 LEU HG . . . . . . . . . rr_2dx4 1 . 1 . 96 . 1 1 5 LEU N N -3.445 -1.341 0.488 . . . 1.0 . . . . . . . . . . . . A . 5 LEU N . . . . . . . . . rr_2dx4 1 . 1 . 97 . 1 1 5 LEU O O -5.183 0.999 -1.591 . . . 1.0 . . . . . . . . . . . . A . 5 LEU O . . . . . . . . . rr_2dx4 1 . 1 . 98 . 1 1 6 ALA C C -4.960 -0.003 -3.959 . . . 1.0 . . . . . . . . . . . . A . 6 ALA C . . . . . . . . . rr_2dx4 1 . 1 . 99 . 1 1 6 ALA CA C -3.578 -0.360 -3.408 . . . 1.0 . . . . . . . . . . . . A . 6 ALA CA . . . . . . . . . rr_2dx4 1 . 1 . 100 . 1 1 6 ALA CB C -2.954 -1.558 -4.128 . . . 1.0 . . . . . . . . . . . . A . 6 ALA CB . . . . . . . . . rr_2dx4 1 . 1 . 101 . 1 1 6 ALA H H -3.122 -1.410 -1.668 . . . 1.0 . . . . . . . . . . . . A . 6 ALA H . . . . . . . . . rr_2dx4 1 . 1 . 102 . 1 1 6 ALA HA H -2.917 0.500 -3.522 . . . 1.0 . . . . . . . . . . . . A . 6 ALA HA . . . . . . . . . rr_2dx4 1 . 1 . 103 . 1 1 6 ALA HB1 H -3.416 -1.673 -5.109 . . . 1.0 . . . . . . . . . . . . A . 6 ALA HB1 . . . . . . . . . rr_2dx4 1 . 1 . 104 . 1 1 6 ALA HB2 H -1.884 -1.393 -4.247 . . . 1.0 . . . . . . . . . . . . A . 6 ALA HB2 . . . . . . . . . rr_2dx4 1 . 1 . 105 . 1 1 6 ALA HB3 H -3.120 -2.461 -3.540 . . . 1.0 . . . . . . . . . . . . A . 6 ALA HB3 . . . . . . . . . rr_2dx4 1 . 1 . 106 . 1 1 6 ALA N N -3.687 -0.650 -1.989 . . . 1.0 . . . . . . . . . . . . A . 6 ALA N . . . . . . . . . rr_2dx4 1 . 1 . 107 . 1 1 6 ALA O O -5.810 -0.876 -4.126 . . . 1.0 . . . . . . . . . . . . A . 6 ALA O . . . . . . . . . rr_2dx4 1 . 1 . 108 . 1 1 7 HIS C C -6.167 3.032 -5.578 . . . 1.0 . . . . . . . . . . . . A . 7 HIS C . . . . . . . . . rr_2dx4 1 . 1 . 109 . 1 1 7 HIS CA C -6.406 1.765 -4.756 . . . 1.0 . . . . . . . . . . . . A . 7 HIS CA . . . . . . . . . rr_2dx4 1 . 1 . 110 . 1 1 7 HIS CB C -7.422 1.970 -3.631 . . . 1.0 . . . . . . . . . . . . A . 7 HIS CB . . . . . . . . . rr_2dx4 1 . 1 . 111 . 1 1 7 HIS CD2 C -7.193 4.365 -2.609 . . . 1.0 . . . . . . . . . . . . A . 7 HIS CD2 . . . . . . . . . rr_2dx4 1 . 1 . 112 . 1 1 7 HIS CE1 C -8.928 5.283 -3.575 . . . 1.0 . . . . . . . . . . . . A . 7 HIS CE1 . . . . . . . . . rr_2dx4 1 . 1 . 113 . 1 1 7 HIS CG C -7.786 3.416 -3.388 . . . 1.0 . . . . . . . . . . . . A . 7 HIS CG . . . . . . . . . rr_2dx4 1 . 1 . 114 . 1 1 7 HIS H H -4.445 1.986 -4.088 . . . 1.0 . . . . . . . . . . . . A . 7 HIS H . . . . . . . . . rr_2dx4 1 . 1 . 115 . 1 1 7 HIS HA H -6.789 0.983 -5.411 . . . 1.0 . . . . . . . . . . . . A . 7 HIS HA . . . . . . . . . rr_2dx4 1 . 1 . 116 . 1 1 7 HIS HB2 H -8.328 1.413 -3.867 . . . 1.0 . . . . . . . . . . . . A . 7 HIS HB2 . . . . . . . . . rr_2dx4 1 . 1 . 117 . 1 1 7 HIS HB3 H -7.020 1.548 -2.710 . . . 1.0 . . . . . . . . . . . . A . 7 HIS HB3 . . . . . . . . . rr_2dx4 1 . 1 . 118 . 1 1 7 HIS HD1 H -9.518 3.587 -4.614 . . . 1.0 . . . . . . . . . . . . A . 7 HIS HD1 . . . . . . . . . rr_2dx4 1 . 1 . 119 . 1 1 7 HIS HD2 H -6.302 4.222 -1.997 . . . 1.0 . . . . . . . . . . . . A . 7 HIS HD2 . . . . . . . . . rr_2dx4 1 . 1 . 120 . 1 1 7 HIS HE1 H -9.675 6.022 -3.867 . . . 1.0 . . . . . . . . . . . . A . 7 HIS HE1 . . . . . . . . . rr_2dx4 1 . 1 . 121 . 1 1 7 HIS HE2 H -7.705 6.338 -2.218 . . . 1.0 . . . . . . . . . . . . A . 7 HIS HE2 . . . . . . . . . rr_2dx4 1 . 1 . 122 . 1 1 7 HIS N N -5.141 1.282 -4.227 . . . 1.0 . . . . . . . . . . . . A . 7 HIS N . . . . . . . . . rr_2dx4 1 . 1 . 123 . 1 1 7 HIS ND1 N -8.877 4.024 -3.983 . . . 1.0 . . . . . . . . . . . . A . 7 HIS ND1 . . . . . . . . . rr_2dx4 1 . 1 . 124 . 1 1 7 HIS NE2 N -7.883 5.493 -2.724 . . . 1.0 . . . . . . . . . . . . A . 7 HIS NE2 . . . . . . . . . rr_2dx4 1 . 1 . 125 . 1 1 7 HIS O O -6.460 3.066 -6.772 . . . 1.0 . . . . . . . . . . . . A . 7 HIS O . . . . . . . . . rr_2dx4 1 . 1 . 126 . 1 1 8 ALA C C -4.680 6.255 -4.564 . . . 1.0 . . . . . . . . . . . . A . 8 ALA C . . . . . . . . . rr_2dx4 1 . 1 . 127 . 1 1 8 ALA CA C -5.356 5.311 -5.560 . . . 1.0 . . . . . . . . . . . . A . 8 ALA CA . . . . . . . . . rr_2dx4 1 . 1 . 128 . 1 1 8 ALA CB C -6.653 5.893 -6.126 . . . 1.0 . . . . . . . . . . . . A . 8 ALA CB . . . . . . . . . rr_2dx4 1 . 1 . 129 . 1 1 8 ALA H H -5.402 4.008 -3.935 . . . 1.0 . . . . . . . . . . . . A . 8 ALA H . . . . . . . . . rr_2dx4 1 . 1 . 130 . 1 1 8 ALA HA H -4.671 5.114 -6.385 . . . 1.0 . . . . . . . . . . . . A . 8 ALA HA . . . . . . . . . rr_2dx4 1 . 1 . 131 . 1 1 8 ALA HB1 H -6.573 6.979 -6.175 . . . 1.0 . . . . . . . . . . . . A . 8 ALA HB1 . . . . . . . . . rr_2dx4 1 . 1 . 132 . 1 1 8 ALA HB2 H -6.824 5.495 -7.127 . . . 1.0 . . . . . . . . . . . . A . 8 ALA HB2 . . . . . . . . . rr_2dx4 1 . 1 . 133 . 1 1 8 ALA HB3 H -7.487 5.619 -5.479 . . . 1.0 . . . . . . . . . . . . A . 8 ALA HB3 . . . . . . . . . rr_2dx4 1 . 1 . 134 . 1 1 8 ALA N N -5.637 4.044 -4.907 . . . 1.0 . . . . . . . . . . . . A . 8 ALA N . . . . . . . . . rr_2dx4 1 . 1 . 135 . 1 1 8 ALA O O -3.479 6.147 -4.319 . . . 1.0 . . . . . . . . . . . . A . 8 ALA O . . . . . . . . . rr_2dx4 1 . 1 . 136 . 1 1 9 LYS C C -3.531 8.486 -3.414 . . . 1.0 . . . . . . . . . . . . A . 9 LYS C . . . . . . . . . rr_2dx4 1 . 1 . 137 . 1 1 9 LYS CA C -4.973 8.121 -3.054 . . . 1.0 . . . . . . . . . . . . A . 9 LYS CA . . . . . . . . . rr_2dx4 1 . 1 . 138 . 1 1 9 LYS CB C -5.134 7.588 -1.629 . . . 1.0 . . . . . . . . . . . . A . 9 LYS CB . . . . . . . . . rr_2dx4 1 . 1 . 139 . 1 1 9 LYS CD C -5.855 9.743 -0.536 . . . 1.0 . . . . . . . . . . . . A . 9 LYS CD . . . . . . . . . rr_2dx4 1 . 1 . 140 . 1 1 9 LYS CE C -7.164 9.182 0.021 . . . 1.0 . . . . . . . . . . . . A . 9 LYS CE . . . . . . . . . rr_2dx4 1 . 1 . 141 . 1 1 9 LYS CG C -4.776 8.660 -0.598 . . . 1.0 . . . . . . . . . . . . A . 9 LYS CG . . . . . . . . . rr_2dx4 1 . 1 . 142 . 1 1 9 LYS H H -6.455 7.239 -4.222 . . . 1.0 . . . . . . . . . . . . A . 9 LYS H . . . . . . . . . rr_2dx4 1 . 1 . 143 . 1 1 9 LYS HA H -5.587 9.018 -3.134 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HA . . . . . . . . . rr_2dx4 1 . 1 . 144 . 1 1 9 LYS HB2 H -6.162 7.258 -1.474 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HB2 . . . . . . . . . rr_2dx4 1 . 1 . 145 . 1 1 9 LYS HB3 H -4.496 6.715 -1.488 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HB3 . . . . . . . . . rr_2dx4 1 . 1 . 146 . 1 1 9 LYS HD2 H -5.513 10.567 0.090 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HD2 . . . . . . . . . rr_2dx4 1 . 1 . 147 . 1 1 9 LYS HD3 H -6.025 10.150 -1.533 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HD3 . . . . . . . . . rr_2dx4 1 . 1 . 148 . 1 1 9 LYS HE2 H -7.569 8.437 -0.664 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HE2 . . . . . . . . . rr_2dx4 1 . 1 . 149 . 1 1 9 LYS HE3 H -6.976 8.675 0.968 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HE3 . . . . . . . . . rr_2dx4 1 . 1 . 150 . 1 1 9 LYS HG2 H -4.660 8.201 0.384 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HG2 . . . . . . . . . rr_2dx4 1 . 1 . 151 . 1 1 9 LYS HG3 H -3.818 9.111 -0.855 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HG3 . . . . . . . . . rr_2dx4 1 . 1 . 152 . 1 1 9 LYS HZ1 H -8.146 10.549 1.181 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HZ1 . . . . . . . . . rr_2dx4 1 . 1 . 153 . 1 1 9 LYS HZ2 H -7.909 11.048 -0.355 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HZ2 . . . . . . . . . rr_2dx4 1 . 1 . 154 . 1 1 9 LYS HZ3 H -9.062 9.940 -0.025 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HZ3 . . . . . . . . . rr_2dx4 1 . 1 . 155 . 1 1 9 LYS N N -5.479 7.159 -4.017 . . . 1.0 . . . . . . . . . . . . A . 9 LYS N . . . . . . . . . rr_2dx4 1 . 1 . 156 . 1 1 9 LYS NZ N -8.150 10.268 0.222 . . . 1.0 . . . . . . . . . . . . A . 9 LYS NZ . . . . . . . . . rr_2dx4 1 . 1 . 157 . 1 1 9 LYS O O -2.638 8.404 -2.572 . . . 1.0 . . . . . . . . . . . . A . 9 LYS O . . . . . . . . . rr_2dx4 1 . 1 . 158 . 1 1 10 ALA C C -1.169 8.006 -5.296 . . . 1.0 . . . . . . . . . . . . A . 10 ALA C . . . . . . . . . rr_2dx4 1 . 1 . 159 . 1 1 10 ALA CA C -2.032 9.260 -5.147 . . . 1.0 . . . . . . . . . . . . A . 10 ALA CA . . . . . . . . . rr_2dx4 1 . 1 . 160 . 1 1 10 ALA CB C -1.414 10.284 -4.192 . . . 1.0 . . . . . . . . . . . . A . 10 ALA CB . . . . . . . . . rr_2dx4 1 . 1 . 161 . 1 1 10 ALA H H -4.082 8.946 -5.343 . . . 1.0 . . . . . . . . . . . . A . 10 ALA H . . . . . . . . . rr_2dx4 1 . 1 . 162 . 1 1 10 ALA HA H -2.157 9.724 -6.125 . . . 1.0 . . . . . . . . . . . . A . 10 ALA HA . . . . . . . . . rr_2dx4 1 . 1 . 163 . 1 1 10 ALA HB1 H -0.890 11.047 -4.767 . . . 1.0 . . . . . . . . . . . . A . 10 ALA HB1 . . . . . . . . . rr_2dx4 1 . 1 . 164 . 1 1 10 ALA HB2 H -2.201 10.751 -3.601 . . . 1.0 . . . . . . . . . . . . A . 10 ALA HB2 . . . . . . . . . rr_2dx4 1 . 1 . 165 . 1 1 10 ALA HB3 H -0.710 9.782 -3.528 . . . 1.0 . . . . . . . . . . . . A . 10 ALA HB3 . . . . . . . . . rr_2dx4 1 . 1 . 166 . 1 1 10 ALA N N -3.350 8.882 -4.665 . . . 1.0 . . . . . . . . . . . . A . 10 ALA N . . . . . . . . . rr_2dx4 1 . 1 . 167 . 1 1 10 ALA O O -0.106 7.904 -4.686 . . . 1.0 . . . . . . . . . . . . A . 10 ALA O . . . . . . . . . rr_2dx4 1 . 1 . 168 . 1 1 11 GLY C C -0.397 5.264 -5.040 . . . 1.0 . . . . . . . . . . . . A . 11 GLY C . . . . . . . . . rr_2dx4 1 . 1 . 169 . 1 1 11 GLY CA C -0.945 5.839 -6.347 . . . 1.0 . . . . . . . . . . . . A . 11 GLY CA . . . . . . . . . rr_2dx4 1 . 1 . 170 . 1 1 11 GLY H H -2.524 7.174 -6.603 . . . 1.0 . . . . . . . . . . . . A . 11 GLY H . . . . . . . . . rr_2dx4 1 . 1 . 171 . 1 1 11 GLY HA2 H -1.613 5.116 -6.815 . . . 1.0 . . . . . . . . . . . . A . 11 GLY HA2 . . . . . . . . . rr_2dx4 1 . 1 . 172 . 1 1 11 GLY HA3 H -0.125 6.014 -7.044 . . . 1.0 . . . . . . . . . . . . A . 11 GLY HA3 . . . . . . . . . rr_2dx4 1 . 1 . 173 . 1 1 11 GLY N N -1.659 7.083 -6.110 . . . 1.0 . . . . . . . . . . . . A . 11 GLY N . . . . . . . . . rr_2dx4 1 . 1 . 174 . 1 1 11 GLY O O 0.752 4.828 -4.982 . . . 1.0 . . . . . . . . . . . . A . 11 GLY O . . . . . . . . . rr_2dx4 1 . 1 . 175 . 1 1 12 TYR C C -0.376 3.318 -2.822 . . . 1.0 . . . . . . . . . . . . A . 12 TYR C . . . . . . . . . rr_2dx4 1 . 1 . 176 . 1 1 12 TYR CA C -0.861 4.766 -2.719 . . . 1.0 . . . . . . . . . . . . A . 12 TYR CA . . . . . . . . . rr_2dx4 1 . 1 . 177 . 1 1 12 TYR CB C -2.125 4.807 -1.859 . . . 1.0 . . . . . . . . . . . . A . 12 TYR CB . . . . . . . . . rr_2dx4 1 . 1 . 178 . 1 1 12 TYR CD1 C -1.525 3.474 0.195 . . . 1.0 . . . . . . . . . . . . A . 12 TYR CD1 . . . . . . . . . rr_2dx4 1 . 1 . 179 . 1 1 12 TYR CD2 C -1.956 5.811 0.448 . . . 1.0 . . . . . . . . . . . . A . 12 TYR CD2 . . . . . . . . . rr_2dx4 1 . 1 . 180 . 1 1 12 TYR CE1 C -1.275 3.367 1.609 . . . 1.0 . . . . . . . . . . . . A . 12 TYR CE1 . . . . . . . . . rr_2dx4 1 . 1 . 181 . 1 1 12 TYR CE2 C -1.707 5.704 1.862 . . . 1.0 . . . . . . . . . . . . A . 12 TYR CE2 . . . . . . . . . rr_2dx4 1 . 1 . 182 . 1 1 12 TYR CG C -1.860 4.694 -0.356 . . . 1.0 . . . . . . . . . . . . A . 12 TYR CG . . . . . . . . . rr_2dx4 1 . 1 . 183 . 1 1 12 TYR CZ C -1.378 4.488 2.373 . . . 1.0 . . . . . . . . . . . . A . 12 TYR CZ . . . . . . . . . rr_2dx4 1 . 1 . 184 . 1 1 12 TYR H H -2.178 5.637 -4.077 . . . 1.0 . . . . . . . . . . . . A . 12 TYR H . . . . . . . . . rr_2dx4 1 . 1 . 185 . 1 1 12 TYR HA H -0.049 5.387 -2.338 . . . 1.0 . . . . . . . . . . . . A . 12 TYR HA . . . . . . . . . rr_2dx4 1 . 1 . 186 . 1 1 12 TYR HB2 H -2.655 5.740 -2.054 . . . 1.0 . . . . . . . . . . . . A . 12 TYR HB2 . . . . . . . . . rr_2dx4 1 . 1 . 187 . 1 1 12 TYR HB3 H -2.786 3.996 -2.163 . . . 1.0 . . . . . . . . . . . . A . 12 TYR HB3 . . . . . . . . . rr_2dx4 1 . 1 . 188 . 1 1 12 TYR HD1 H -1.449 2.591 -0.440 . . . 1.0 . . . . . . . . . . . . A . 12 TYR HD1 . . . . . . . . . rr_2dx4 1 . 1 . 189 . 1 1 12 TYR HD2 H -2.221 6.775 0.013 . . . 1.0 . . . . . . . . . . . . A . 12 TYR HD2 . . . . . . . . . rr_2dx4 1 . 1 . 190 . 1 1 12 TYR HE1 H -1.009 2.410 2.058 . . . 1.0 . . . . . . . . . . . . A . 12 TYR HE1 . . . . . . . . . rr_2dx4 1 . 1 . 191 . 1 1 12 TYR HE2 H -1.779 6.579 2.509 . . . 1.0 . . . . . . . . . . . . A . 12 TYR HE2 . . . . . . . . . rr_2dx4 1 . 1 . 192 . 1 1 12 TYR HH H -1.103 5.298 4.119 . . . 1.0 . . . . . . . . . . . . A . 12 TYR HH . . . . . . . . . rr_2dx4 1 . 1 . 193 . 1 1 12 TYR N N -1.245 5.281 -4.022 . . . 1.0 . . . . . . . . . . . . A . 12 TYR N . . . . . . . . . rr_2dx4 1 . 1 . 194 . 1 1 12 TYR O O 0.304 2.822 -1.925 . . . 1.0 . . . . . . . . . . . . A . 12 TYR O . . . . . . . . . rr_2dx4 1 . 1 . 195 . 1 1 12 TYR OH O -1.143 4.387 3.709 . . . 1.0 . . . . . . . . . . . . A . 12 TYR OH . . . . . . . . . rr_2dx4 1 . 1 . 196 . 1 1 13 ILE C C 1.153 1.158 -3.944 . . . 1.0 . . . . . . . . . . . . A . 13 ILE C . . . . . . . . . rr_2dx4 1 . 1 . 197 . 1 1 13 ILE CA C -0.356 1.301 -4.157 . . . 1.0 . . . . . . . . . . . . A . 13 ILE CA . . . . . . . . . rr_2dx4 1 . 1 . 198 . 1 1 13 ILE CB C -0.829 0.836 -5.535 . . . 1.0 . . . . . . . . . . . . A . 13 ILE CB . . . . . . . . . rr_2dx4 1 . 1 . 199 . 1 1 13 ILE CD1 C 1.317 -0.166 -6.401 . . . 1.0 . . . . . . . . . . . . A . 13 ILE CD1 . . . . . . . . . rr_2dx4 1 . 1 . 200 . 1 1 13 ILE CG1 C -0.118 -0.452 -5.953 . . . 1.0 . . . . . . . . . . . . A . 13 ILE CG1 . . . . . . . . . rr_2dx4 1 . 1 . 201 . 1 1 13 ILE CG2 C -0.663 1.946 -6.575 . . . 1.0 . . . . . . . . . . . . A . 13 ILE CG2 . . . . . . . . . rr_2dx4 1 . 1 . 202 . 1 1 13 ILE H H -1.297 3.093 -4.649 . . . 1.0 . . . . . . . . . . . . A . 13 ILE H . . . . . . . . . rr_2dx4 1 . 1 . 203 . 1 1 13 ILE HA H -0.869 0.688 -3.416 . . . 1.0 . . . . . . . . . . . . A . 13 ILE HA . . . . . . . . . rr_2dx4 1 . 1 . 204 . 1 1 13 ILE HB H -1.894 0.611 -5.473 . . . 1.0 . . . . . . . . . . . . A . 13 ILE HB . . . . . . . . . rr_2dx4 1 . 1 . 205 . 1 1 13 ILE HD11 H 1.468 -0.554 -7.408 . . . 1.0 . . . . . . . . . . . . A . 13 ILE HD11 . . . . . . . . . rr_2dx4 1 . 1 . 206 . 1 1 13 ILE HD12 H 1.491 0.910 -6.396 . . . 1.0 . . . . . . . . . . . . A . 13 ILE HD12 . . . . . . . . . rr_2dx4 1 . 1 . 207 . 1 1 13 ILE HD13 H 2.014 -0.650 -5.717 . . . 1.0 . . . . . . . . . . . . A . 13 ILE HD13 . . . . . . . . . rr_2dx4 1 . 1 . 208 . 1 1 13 ILE HG12 H -0.109 -1.154 -5.120 . . . 1.0 . . . . . . . . . . . . A . 13 ILE HG12 . . . . . . . . . rr_2dx4 1 . 1 . 209 . 1 1 13 ILE HG13 H -0.668 -0.928 -6.765 . . . 1.0 . . . . . . . . . . . . A . 13 ILE HG13 . . . . . . . . . rr_2dx4 1 . 1 . 210 . 1 1 13 ILE HG21 H 0.217 2.542 -6.334 . . . 1.0 . . . . . . . . . . . . A . 13 ILE HG21 . . . . . . . . . rr_2dx4 1 . 1 . 211 . 1 1 13 ILE HG22 H -0.542 1.503 -7.564 . . . 1.0 . . . . . . . . . . . . A . 13 ILE HG22 . . . . . . . . . rr_2dx4 1 . 1 . 212 . 1 1 13 ILE HG23 H -1.547 2.585 -6.569 . . . 1.0 . . . . . . . . . . . . A . 13 ILE HG23 . . . . . . . . . rr_2dx4 1 . 1 . 213 . 1 1 13 ILE N N -0.744 2.682 -3.924 . . . 1.0 . . . . . . . . . . . . A . 13 ILE N . . . . . . . . . rr_2dx4 1 . 1 . 214 . 1 1 13 ILE O O 1.936 1.945 -4.474 . . . 1.0 . . . . . . . . . . . . A . 13 ILE O . . . . . . . . . rr_2dx4 1 . 1 . 215 . 1 1 14 VAL C C 3.234 -1.574 -3.180 . . . 1.0 . . . . . . . . . . . . A . 14 VAL C . . . . . . . . . rr_2dx4 1 . 1 . 216 . 1 1 14 VAL CA C 2.915 -0.108 -2.877 . . . 1.0 . . . . . . . . . . . . A . 14 VAL CA . . . . . . . . . rr_2dx4 1 . 1 . 217 . 1 1 14 VAL CB C 3.232 0.286 -1.433 . . . 1.0 . . . . . . . . . . . . A . 14 VAL CB . . . . . . . . . rr_2dx4 1 . 1 . 218 . 1 1 14 VAL CG1 C 2.918 -0.860 -0.470 . . . 1.0 . . . . . . . . . . . . A . 14 VAL CG1 . . . . . . . . . rr_2dx4 1 . 1 . 219 . 1 1 14 VAL CG2 C 4.688 0.736 -1.294 . . . 1.0 . . . . . . . . . . . . A . 14 VAL CG2 . . . . . . . . . rr_2dx4 1 . 1 . 220 . 1 1 14 VAL H H 0.872 -0.487 -2.739 . . . 1.0 . . . . . . . . . . . . A . 14 VAL H . . . . . . . . . rr_2dx4 1 . 1 . 221 . 1 1 14 VAL HA H 3.509 0.524 -3.538 . . . 1.0 . . . . . . . . . . . . A . 14 VAL HA . . . . . . . . . rr_2dx4 1 . 1 . 222 . 1 1 14 VAL HB H 2.595 1.130 -1.169 . . . 1.0 . . . . . . . . . . . . A . 14 VAL HB . . . . . . . . . rr_2dx4 1 . 1 . 223 . 1 1 14 VAL HG11 H 2.392 -0.469 0.401 . . . 1.0 . . . . . . . . . . . . A . 14 VAL HG11 . . . . . . . . . rr_2dx4 1 . 1 . 224 . 1 1 14 VAL HG12 H 2.291 -1.596 -0.973 . . . 1.0 . . . . . . . . . . . . A . 14 VAL HG12 . . . . . . . . . rr_2dx4 1 . 1 . 225 . 1 1 14 VAL HG13 H 3.848 -1.332 -0.151 . . . 1.0 . . . . . . . . . . . . A . 14 VAL HG13 . . . . . . . . . rr_2dx4 1 . 1 . 226 . 1 1 14 VAL HG21 H 5.249 -0.015 -0.738 . . . 1.0 . . . . . . . . . . . . A . 14 VAL HG21 . . . . . . . . . rr_2dx4 1 . 1 . 227 . 1 1 14 VAL HG22 H 5.127 0.857 -2.285 . . . 1.0 . . . . . . . . . . . . A . 14 VAL HG22 . . . . . . . . . rr_2dx4 1 . 1 . 228 . 1 1 14 VAL HG23 H 4.726 1.686 -0.762 . . . 1.0 . . . . . . . . . . . . A . 14 VAL HG23 . . . . . . . . . rr_2dx4 1 . 1 . 229 . 1 1 14 VAL N N 1.515 0.148 -3.166 . . . 1.0 . . . . . . . . . . . . A . 14 VAL N . . . . . . . . . rr_2dx4 1 . 1 . 230 . 1 1 14 VAL O O 2.565 -2.202 -3.998 . . . 1.0 . . . . . . . . . . . . A . 14 VAL O . . . . . . . . . rr_2dx4 1 . 1 . 231 . 1 1 15 HIS C C 5.584 -3.877 -1.535 . . . 1.0 . . . . . . . . . . . . A . 15 HIS C . . . . . . . . . rr_2dx4 1 . 1 . 232 . 1 1 15 HIS CA C 4.672 -3.456 -2.689 . . . 1.0 . . . . . . . . . . . . A . 15 HIS CA . . . . . . . . . rr_2dx4 1 . 1 . 233 . 1 1 15 HIS CB C 5.324 -3.646 -4.060 . . . 1.0 . . . . . . . . . . . . A . 15 HIS CB . . . . . . . . . rr_2dx4 1 . 1 . 234 . 1 1 15 HIS CD2 C 3.140 -4.277 -5.350 . . . 1.0 . . . . . . . . . . . . A . 15 HIS CD2 . . . . . . . . . rr_2dx4 1 . 1 . 235 . 1 1 15 HIS CE1 C 3.534 -3.164 -7.193 . . . 1.0 . . . . . . . . . . . . A . 15 HIS CE1 . . . . . . . . . rr_2dx4 1 . 1 . 236 . 1 1 15 HIS CG C 4.345 -3.654 -5.210 . . . 1.0 . . . . . . . . . . . . A . 15 HIS CG . . . . . . . . . rr_2dx4 1 . 1 . 237 . 1 1 15 HIS H H 4.796 -1.558 -1.839 . . . 1.0 . . . . . . . . . . . . A . 15 HIS H . . . . . . . . . rr_2dx4 1 . 1 . 238 . 1 1 15 HIS HA H 3.766 -4.061 -2.665 . . . 1.0 . . . . . . . . . . . . A . 15 HIS HA . . . . . . . . . rr_2dx4 1 . 1 . 239 . 1 1 15 HIS HB2 H 6.050 -2.849 -4.220 . . . 1.0 . . . . . . . . . . . . A . 15 HIS HB2 . . . . . . . . . rr_2dx4 1 . 1 . 240 . 1 1 15 HIS HB3 H 5.877 -4.586 -4.061 . . . 1.0 . . . . . . . . . . . . A . 15 HIS HB3 . . . . . . . . . rr_2dx4 1 . 1 . 241 . 1 1 15 HIS HD1 H 5.369 -2.402 -6.595 . . . 1.0 . . . . . . . . . . . . A . 15 HIS HD1 . . . . . . . . . rr_2dx4 1 . 1 . 242 . 1 1 15 HIS HD2 H 2.660 -4.911 -4.605 . . . 1.0 . . . . . . . . . . . . A . 15 HIS HD2 . . . . . . . . . rr_2dx4 1 . 1 . 243 . 1 1 15 HIS HE1 H 3.412 -2.753 -8.195 . . . 1.0 . . . . . . . . . . . . A . 15 HIS HE1 . . . . . . . . . rr_2dx4 1 . 1 . 244 . 1 1 15 HIS HE2 H 1.806 -4.346 -6.938 . . . 1.0 . . . . . . . . . . . . A . 15 HIS HE2 . . . . . . . . . rr_2dx4 1 . 1 . 245 . 1 1 15 HIS N N 4.257 -2.076 -2.503 . . . 1.0 . . . . . . . . . . . . A . 15 HIS N . . . . . . . . . rr_2dx4 1 . 1 . 246 . 1 1 15 HIS ND1 N 4.567 -2.961 -6.387 . . . 1.0 . . . . . . . . . . . . A . 15 HIS ND1 . . . . . . . . . rr_2dx4 1 . 1 . 247 . 1 1 15 HIS NE2 N 2.651 -3.980 -6.548 . . . 1.0 . . . . . . . . . . . . A . 15 HIS NE2 . . . . . . . . . rr_2dx4 1 . 1 . 248 . 1 1 15 HIS O O 6.714 -4.309 -1.758 . . . 1.0 . . . . . . . . . . . . A . 15 HIS O . . . . . . . . . rr_2dx4 1 . 1 . 249 . 1 1 16 TRP C C 5.879 -5.625 0.934 . . . 1.0 . . . . . . . . . . . . A . 16 TRP C . . . . . . . . . rr_2dx4 1 . 1 . 250 . 1 1 16 TRP CA C 5.812 -4.098 0.862 . . . 1.0 . . . . . . . . . . . . A . 16 TRP CA . . . . . . . . . rr_2dx4 1 . 1 . 251 . 1 1 16 TRP CB C 5.197 -3.467 2.113 . . . 1.0 . . . . . . . . . . . . A . 16 TRP CB . . . . . . . . . rr_2dx4 1 . 1 . 252 . 1 1 16 TRP CD1 C 3.805 -1.295 2.193 . . . 1.0 . . . . . . . . . . . . A . 16 TRP CD1 . . . . . . . . . rr_2dx4 1 . 1 . 253 . 1 1 16 TRP CD2 C 5.922 -0.957 1.637 . . . 1.0 . . . . . . . . . . . . A . 16 TRP CD2 . . . . . . . . . rr_2dx4 1 . 1 . 254 . 1 1 16 TRP CE2 C 5.296 0.273 1.642 . . . 1.0 . . . . . . . . . . . . A . 16 TRP CE2 . . . . . . . . . rr_2dx4 1 . 1 . 255 . 1 1 16 TRP CE3 C 7.286 -1.082 1.319 . . . 1.0 . . . . . . . . . . . . A . 16 TRP CE3 . . . . . . . . . rr_2dx4 1 . 1 . 256 . 1 1 16 TRP CG C 4.950 -1.962 1.993 . . . 1.0 . . . . . . . . . . . . A . 16 TRP CG . . . . . . . . . rr_2dx4 1 . 1 . 257 . 1 1 16 TRP CH2 C 7.314 1.369 1.020 . . . 1.0 . . . . . . . . . . . . A . 16 TRP CH2 . . . . . . . . . rr_2dx4 1 . 1 . 258 . 1 1 16 TRP CZ2 C 5.954 1.470 1.339 . . . 1.0 . . . . . . . . . . . . A . 16 TRP CZ2 . . . . . . . . . rr_2dx4 1 . 1 . 259 . 1 1 16 TRP CZ3 C 7.930 0.124 1.019 . . . 1.0 . . . . . . . . . . . . A . 16 TRP CZ3 . . . . . . . . . rr_2dx4 1 . 1 . 260 . 1 1 16 TRP H H 4.139 -3.386 -0.154 . . . 1.0 . . . . . . . . . . . . A . 16 TRP H . . . . . . . . . rr_2dx4 1 . 1 . 261 . 1 1 16 TRP HA H 6.816 -3.686 0.759 . . . 1.0 . . . . . . . . . . . . A . 16 TRP HA . . . . . . . . . rr_2dx4 1 . 1 . 262 . 1 1 16 TRP HB2 H 4.251 -3.964 2.331 . . . 1.0 . . . . . . . . . . . . A . 16 TRP HB2 . . . . . . . . . rr_2dx4 1 . 1 . 263 . 1 1 16 TRP HB3 H 5.856 -3.650 2.962 . . . 1.0 . . . . . . . . . . . . A . 16 TRP HB3 . . . . . . . . . rr_2dx4 1 . 1 . 264 . 1 1 16 TRP HD1 H 2.864 -1.765 2.478 . . . 1.0 . . . . . . . . . . . . A . 16 TRP HD1 . . . . . . . . . rr_2dx4 1 . 1 . 265 . 1 1 16 TRP HE1 H 3.195 0.824 2.088 . . . 1.0 . . . . . . . . . . . . A . 16 TRP HE1 . . . . . . . . . rr_2dx4 1 . 1 . 266 . 1 1 16 TRP HE3 H 7.804 -2.042 1.308 . . . 1.0 . . . . . . . . . . . . A . 16 TRP HE3 . . . . . . . . . rr_2dx4 1 . 1 . 267 . 1 1 16 TRP HH2 H 7.886 2.264 0.774 . . . 1.0 . . . . . . . . . . . . A . 16 TRP HH2 . . . . . . . . . rr_2dx4 1 . 1 . 268 . 1 1 16 TRP HZ2 H 5.437 2.429 1.351 . . . 1.0 . . . . . . . . . . . . A . 16 TRP HZ2 . . . . . . . . . rr_2dx4 1 . 1 . 269 . 1 1 16 TRP HZ3 H 8.990 0.083 0.765 . . . 1.0 . . . . . . . . . . . . A . 16 TRP HZ3 . . . . . . . . . rr_2dx4 1 . 1 . 270 . 1 1 16 TRP N N 5.059 -3.737 -0.327 . . . 1.0 . . . . . . . . . . . . A . 16 TRP N . . . . . . . . . rr_2dx4 1 . 1 . 271 . 1 1 16 TRP NE1 N 3.967 0.060 1.991 . . . 1.0 . . . . . . . . . . . . A . 16 TRP NE1 . . . . . . . . . rr_2dx4 1 . 1 . 272 . 1 1 16 TRP O O 5.677 -6.307 -0.069 . . . 1.0 . . . . . . . . . . . . A . 16 TRP O . . . . . . . . . rr_2dx4 1 . 1 . 273 . 1 1 17 THR C C 6.811 -7.844 3.744 . . . 1.0 . . . . . . . . . . . . A . 17 THR C . . . . . . . . . rr_2dx4 1 . 1 . 274 . 1 1 17 THR CA C 6.259 -7.551 2.347 . . . 1.0 . . . . . . . . . . . . A . 17 THR CA . . . . . . . . . rr_2dx4 1 . 1 . 275 . 1 1 17 THR CB C 7.108 -8.143 1.221 . . . 1.0 . . . . . . . . . . . . A . 17 THR CB . . . . . . . . . rr_2dx4 1 . 1 . 276 . 1 1 17 THR CG2 C 8.315 -7.268 0.876 . . . 1.0 . . . . . . . . . . . . A . 17 THR CG2 . . . . . . . . . rr_2dx4 1 . 1 . 277 . 1 1 17 THR H H 6.325 -5.556 2.943 . . . 1.0 . . . . . . . . . . . . A . 17 THR H . . . . . . . . . rr_2dx4 1 . 1 . 278 . 1 1 17 THR HA H 5.254 -7.973 2.306 . . . 1.0 . . . . . . . . . . . . A . 17 THR HA . . . . . . . . . rr_2dx4 1 . 1 . 279 . 1 1 17 THR HB H 6.501 -8.336 0.336 . . . 1.0 . . . . . . . . . . . . A . 17 THR HB . . . . . . . . . rr_2dx4 1 . 1 . 280 . 1 1 17 THR HG1 H 8.159 -9.842 1.095 . . . 1.0 . . . . . . . . . . . . A . 17 THR HG1 . . . . . . . . . rr_2dx4 1 . 1 . 281 . 1 1 17 THR HG21 H 8.017 -6.504 0.158 . . . 1.0 . . . . . . . . . . . . A . 17 THR HG21 . . . . . . . . . rr_2dx4 1 . 1 . 282 . 1 1 17 THR HG22 H 8.688 -6.790 1.782 . . . 1.0 . . . . . . . . . . . . A . 17 THR HG22 . . . . . . . . . rr_2dx4 1 . 1 . 283 . 1 1 17 THR HG23 H 9.100 -7.888 0.442 . . . 1.0 . . . . . . . . . . . . A . 17 THR HG23 . . . . . . . . . rr_2dx4 1 . 1 . 284 . 1 1 17 THR N N 6.163 -6.117 2.131 . . . 1.0 . . . . . . . . . . . . A . 17 THR N . . . . . . . . . rr_2dx4 1 . 1 . 285 . 1 1 17 THR O O 7.819 -7.267 4.150 . . . 1.0 . . . . . . . . . . . . A . 17 THR O . . . . . . . . . rr_2dx4 1 . 1 . 286 . 1 1 17 THR OG1 O 7.681 -9.314 1.797 . . . 1.0 . . . . . . . . . . . . A . 17 THR OG1 . . . . . . . . . rr_2dx4 1 . 1 . 287 . 1 1 18 ALA C C 7.948 -9.707 5.733 . . . 1.0 . . . . . . . . . . . . A . 18 ALA C . . . . . . . . . rr_2dx4 1 . 1 . 288 . 1 1 18 ALA CA C 6.537 -9.117 5.782 . . . 1.0 . . . . . . . . . . . . A . 18 ALA CA . . . . . . . . . rr_2dx4 1 . 1 . 289 . 1 1 18 ALA CB C 5.518 -10.093 6.372 . . . 1.0 . . . . . . . . . . . . A . 18 ALA CB . . . . . . . . . rr_2dx4 1 . 1 . 290 . 1 1 18 ALA H H 5.309 -9.205 4.102 . . . 1.0 . . . . . . . . . . . . A . 18 ALA H . . . . . . . . . rr_2dx4 1 . 1 . 291 . 1 1 18 ALA HA H 6.552 -8.213 6.391 . . . 1.0 . . . . . . . . . . . . A . 18 ALA HA . . . . . . . . . rr_2dx4 1 . 1 . 292 . 1 1 18 ALA HB1 H 5.551 -10.039 7.461 . . . 1.0 . . . . . . . . . . . . A . 18 ALA HB1 . . . . . . . . . rr_2dx4 1 . 1 . 293 . 1 1 18 ALA HB2 H 4.519 -9.828 6.026 . . . 1.0 . . . . . . . . . . . . A . 18 ALA HB2 . . . . . . . . . rr_2dx4 1 . 1 . 294 . 1 1 18 ALA HB3 H 5.757 -11.106 6.051 . . . 1.0 . . . . . . . . . . . . A . 18 ALA HB3 . . . . . . . . . rr_2dx4 1 . 1 . 295 . 1 1 18 ALA N N 6.128 -8.740 4.440 . . . 1.0 . . . . . . . . . . . . A . 18 ALA N . . . . . . . . . rr_2dx4 1 . 1 . 296 . 1 1 18 ALA O O 8.732 -9.530 6.664 . . . 1.0 . . . . . . . . . . . . A . 18 ALA O . . . . . . . . . rr_2dx4 1 . 2 . 297 . 1 1 1 ILE C C 2.611 -4.207 8.477 . . . 1.0 . . . . . . . . . . . . A . 1 ILE C . . . . . . . . . rr_2dx4 1 . 2 . 298 . 1 1 1 ILE CA C 2.643 -5.146 9.685 . . . 1.0 . . . . . . . . . . . . A . 1 ILE CA . . . . . . . . . rr_2dx4 1 . 2 . 299 . 1 1 1 ILE CB C 1.440 -6.089 9.763 . . . 1.0 . . . . . . . . . . . . A . 1 ILE CB . . . . . . . . . rr_2dx4 1 . 2 . 300 . 1 1 1 ILE CD1 C 0.272 -7.512 11.486 . . . 1.0 . . . . . . . . . . . . A . 1 ILE CD1 . . . . . . . . . rr_2dx4 1 . 2 . 301 . 1 1 1 ILE CG1 C 1.621 -7.117 10.881 . . . 1.0 . . . . . . . . . . . . A . 1 ILE CG1 . . . . . . . . . rr_2dx4 1 . 2 . 302 . 1 1 1 ILE CG2 C 1.176 -6.753 8.410 . . . 1.0 . . . . . . . . . . . . A . 1 ILE CG2 . . . . . . . . . rr_2dx4 1 . 2 . 303 . 1 1 1 ILE H1 H 3.007 -3.402 10.764 . . . 1.0 . . . . . . . . . . . . A . 1 ILE H1 . . . . . . . . . rr_2dx4 1 . 2 . 304 . 1 1 1 ILE HA H 3.535 -5.767 9.616 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HA . . . . . . . . . rr_2dx4 1 . 2 . 305 . 1 1 1 ILE HB H 0.558 -5.497 10.009 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HB . . . . . . . . . rr_2dx4 1 . 2 . 306 . 1 1 1 ILE HD11 H 0.036 -6.845 12.314 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HD11 . . . . . . . . . rr_2dx4 1 . 2 . 307 . 1 1 1 ILE HD12 H -0.504 -7.436 10.724 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HD12 . . . . . . . . . rr_2dx4 1 . 2 . 308 . 1 1 1 ILE HD13 H 0.324 -8.539 11.850 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HD13 . . . . . . . . . rr_2dx4 1 . 2 . 309 . 1 1 1 ILE HG12 H 2.121 -8.002 10.488 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HG12 . . . . . . . . . rr_2dx4 1 . 2 . 310 . 1 1 1 ILE HG13 H 2.265 -6.706 11.658 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HG13 . . . . . . . . . rr_2dx4 1 . 2 . 311 . 1 1 1 ILE HG21 H 0.895 -5.993 7.681 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HG21 . . . . . . . . . rr_2dx4 1 . 2 . 312 . 1 1 1 ILE HG22 H 2.078 -7.264 8.074 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HG22 . . . . . . . . . rr_2dx4 1 . 2 . 313 . 1 1 1 ILE HG23 H 0.366 -7.475 8.512 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HG23 . . . . . . . . . rr_2dx4 1 . 2 . 314 . 1 1 1 ILE N N 2.752 -4.359 10.902 . . . 1.0 . . . . . . . . . . . . A . 1 ILE N . . . . . . . . . rr_2dx4 1 . 2 . 315 . 1 1 1 ILE O O 2.417 -3.002 8.628 . . . 1.0 . . . . . . . . . . . . A . 1 ILE O . . . . . . . . . rr_2dx4 1 . 2 . 316 . 1 1 2 ASN C C 1.361 -3.674 5.701 . . . 1.0 . . . . . . . . . . . . A . 2 ASN C . . . . . . . . . rr_2dx4 1 . 2 . 317 . 1 1 2 ASN CA C 2.802 -4.027 6.073 . . . 1.0 . . . . . . . . . . . . A . 2 ASN CA . . . . . . . . . rr_2dx4 1 . 2 . 318 . 1 1 2 ASN CB C 3.404 -4.833 4.920 . . . 1.0 . . . . . . . . . . . . A . 2 ASN CB . . . . . . . . . rr_2dx4 1 . 2 . 319 . 1 1 2 ASN CG C 2.967 -4.265 3.568 . . . 1.0 . . . . . . . . . . . . A . 2 ASN CG . . . . . . . . . rr_2dx4 1 . 2 . 320 . 1 1 2 ASN H H 2.964 -5.776 7.192 . . . 1.0 . . . . . . . . . . . . A . 2 ASN H . . . . . . . . . rr_2dx4 1 . 2 . 321 . 1 1 2 ASN HA H 3.407 -3.145 6.283 . . . 1.0 . . . . . . . . . . . . A . 2 ASN HA . . . . . . . . . rr_2dx4 1 . 2 . 322 . 1 1 2 ASN HB2 H 4.492 -4.819 4.990 . . . 1.0 . . . . . . . . . . . . A . 2 ASN HB2 . . . . . . . . . rr_2dx4 1 . 2 . 323 . 1 1 2 ASN HB3 H 3.093 -5.875 4.998 . . . 1.0 . . . . . . . . . . . . A . 2 ASN HB3 . . . . . . . . . rr_2dx4 1 . 2 . 324 . 1 1 2 ASN HD21 H 3.324 -6.080 2.744 . . . 1.0 . . . . . . . . . . . . A . 2 ASN HD21 . . . . . . . . . rr_2dx4 1 . 2 . 325 . 1 1 2 ASN HD22 H 2.753 -4.867 1.647 . . . 1.0 . . . . . . . . . . . . A . 2 ASN HD22 . . . . . . . . . rr_2dx4 1 . 2 . 326 . 1 1 2 ASN N N 2.806 -4.795 7.306 . . . 1.0 . . . . . . . . . . . . A . 2 ASN N . . . . . . . . . rr_2dx4 1 . 2 . 327 . 1 1 2 ASN ND2 N 3.019 -5.143 2.570 . . . 1.0 . . . . . . . . . . . . A . 2 ASN ND2 . . . . . . . . . rr_2dx4 1 . 2 . 328 . 1 1 2 ASN O O 0.478 -4.529 5.744 . . . 1.0 . . . . . . . . . . . . A . 2 ASN O . . . . . . . . . rr_2dx4 1 . 2 . 329 . 1 1 2 ASN OD1 O 2.608 -3.106 3.439 . . . 1.0 . . . . . . . . . . . . A . 2 ASN OD1 . . . . . . . . . rr_2dx4 1 . 2 . 330 . 1 1 3 TYR C C -0.231 -1.680 3.459 . . . 1.0 . . . . . . . . . . . . A . 3 TYR C . . . . . . . . . rr_2dx4 1 . 2 . 331 . 1 1 3 TYR CA C -0.152 -1.936 4.966 . . . 1.0 . . . . . . . . . . . . A . 3 TYR CA . . . . . . . . . rr_2dx4 1 . 2 . 332 . 1 1 3 TYR CB C -0.351 -0.612 5.707 . . . 1.0 . . . . . . . . . . . . A . 3 TYR CB . . . . . . . . . rr_2dx4 1 . 2 . 333 . 1 1 3 TYR CD1 C 0.458 -0.947 8.071 . . . 1.0 . . . . . . . . . . . . A . 3 TYR CD1 . . . . . . . . . rr_2dx4 1 . 2 . 334 . 1 1 3 TYR CD2 C 1.765 0.421 6.609 . . . 1.0 . . . . . . . . . . . . A . 3 TYR CD2 . . . . . . . . . rr_2dx4 1 . 2 . 335 . 1 1 3 TYR CE1 C 1.407 -0.720 9.131 . . . 1.0 . . . . . . . . . . . . A . 3 TYR CE1 . . . . . . . . . rr_2dx4 1 . 2 . 336 . 1 1 3 TYR CE2 C 2.713 0.647 7.668 . . . 1.0 . . . . . . . . . . . . A . 3 TYR CE2 . . . . . . . . . rr_2dx4 1 . 2 . 337 . 1 1 3 TYR CG C 0.657 -0.371 6.832 . . . 1.0 . . . . . . . . . . . . A . 3 TYR CG . . . . . . . . . rr_2dx4 1 . 2 . 338 . 1 1 3 TYR CZ C 2.488 0.065 8.877 . . . 1.0 . . . . . . . . . . . . A . 3 TYR CZ . . . . . . . . . rr_2dx4 1 . 2 . 339 . 1 1 3 TYR H H 1.891 -1.723 5.312 . . . 1.0 . . . . . . . . . . . . A . 3 TYR H . . . . . . . . . rr_2dx4 1 . 2 . 340 . 1 1 3 TYR HA H -0.877 -2.704 5.235 . . . 1.0 . . . . . . . . . . . . A . 3 TYR HA . . . . . . . . . rr_2dx4 1 . 2 . 341 . 1 1 3 TYR HB2 H -0.283 0.207 4.991 . . . 1.0 . . . . . . . . . . . . A . 3 TYR HB2 . . . . . . . . . rr_2dx4 1 . 2 . 342 . 1 1 3 TYR HB3 H -1.358 -0.588 6.124 . . . 1.0 . . . . . . . . . . . . A . 3 TYR HB3 . . . . . . . . . rr_2dx4 1 . 2 . 343 . 1 1 3 TYR HD1 H -0.417 -1.572 8.248 . . . 1.0 . . . . . . . . . . . . A . 3 TYR HD1 . . . . . . . . . rr_2dx4 1 . 2 . 344 . 1 1 3 TYR HD2 H 1.922 0.875 5.631 . . . 1.0 . . . . . . . . . . . . A . 3 TYR HD2 . . . . . . . . . rr_2dx4 1 . 2 . 345 . 1 1 3 TYR HE1 H 1.262 -1.168 10.114 . . . 1.0 . . . . . . . . . . . . A . 3 TYR HE1 . . . . . . . . . rr_2dx4 1 . 2 . 346 . 1 1 3 TYR HE2 H 3.593 1.270 7.506 . . . 1.0 . . . . . . . . . . . . A . 3 TYR HE2 . . . . . . . . . rr_2dx4 1 . 2 . 347 . 1 1 3 TYR HH H 4.154 0.818 9.537 . . . 1.0 . . . . . . . . . . . . A . 3 TYR HH . . . . . . . . . rr_2dx4 1 . 2 . 348 . 1 1 3 TYR N N 1.167 -2.412 5.345 . . . 1.0 . . . . . . . . . . . . A . 3 TYR N . . . . . . . . . rr_2dx4 1 . 2 . 349 . 1 1 3 TYR O O -0.175 -0.533 3.017 . . . 1.0 . . . . . . . . . . . . A . 3 TYR O . . . . . . . . . rr_2dx4 1 . 2 . 350 . 1 1 3 TYR OH O 3.384 0.279 9.878 . . . 1.0 . . . . . . . . . . . . A . 3 TYR OH . . . . . . . . . rr_2dx4 1 . 2 . 351 . 1 1 4 TRP C C -1.341 -1.483 0.920 . . . 1.0 . . . . . . . . . . . . A . 4 TRP C . . . . . . . . . rr_2dx4 1 . 2 . 352 . 1 1 4 TRP CA C -0.446 -2.675 1.265 . . . 1.0 . . . . . . . . . . . . A . 4 TRP CA . . . . . . . . . rr_2dx4 1 . 2 . 353 . 1 1 4 TRP CB C -0.943 -3.990 0.661 . . . 1.0 . . . . . . . . . . . . A . 4 TRP CB . . . . . . . . . rr_2dx4 1 . 2 . 354 . 1 1 4 TRP CD1 C 0.319 -3.470 -1.530 . . . 1.0 . . . . . . . . . . . . A . 4 TRP CD1 . . . . . . . . . rr_2dx4 1 . 2 . 355 . 1 1 4 TRP CD2 C -0.493 -5.530 -1.456 . . . 1.0 . . . . . . . . . . . . A . 4 TRP CD2 . . . . . . . . . rr_2dx4 1 . 2 . 356 . 1 1 4 TRP CE2 C 0.152 -5.384 -2.667 . . . 1.0 . . . . . . . . . . . . A . 4 TRP CE2 . . . . . . . . . rr_2dx4 1 . 2 . 357 . 1 1 4 TRP CE3 C -1.120 -6.737 -1.100 . . . 1.0 . . . . . . . . . . . . A . 4 TRP CE3 . . . . . . . . . rr_2dx4 1 . 2 . 358 . 1 1 4 TRP CG C -0.378 -4.288 -0.730 . . . 1.0 . . . . . . . . . . . . A . 4 TRP CG . . . . . . . . . rr_2dx4 1 . 2 . 359 . 1 1 4 TRP CH2 C -0.386 -7.617 -3.289 . . . 1.0 . . . . . . . . . . . . A . 4 TRP CH2 . . . . . . . . . rr_2dx4 1 . 2 . 360 . 1 1 4 TRP CZ2 C 0.231 -6.405 -3.621 . . . 1.0 . . . . . . . . . . . . A . 4 TRP CZ2 . . . . . . . . . rr_2dx4 1 . 2 . 361 . 1 1 4 TRP CZ3 C -1.032 -7.748 -2.065 . . . 1.0 . . . . . . . . . . . . A . 4 TRP CZ3 . . . . . . . . . rr_2dx4 1 . 2 . 362 . 1 1 4 TRP H H -0.403 -3.696 3.081 . . . 1.0 . . . . . . . . . . . . A . 4 TRP H . . . . . . . . . rr_2dx4 1 . 2 . 363 . 1 1 4 TRP HA H 0.560 -2.509 0.881 . . . 1.0 . . . . . . . . . . . . A . 4 TRP HA . . . . . . . . . rr_2dx4 1 . 2 . 364 . 1 1 4 TRP HB2 H -0.680 -4.808 1.332 . . . 1.0 . . . . . . . . . . . . A . 4 TRP HB2 . . . . . . . . . rr_2dx4 1 . 2 . 365 . 1 1 4 TRP HB3 H -2.031 -3.963 0.602 . . . 1.0 . . . . . . . . . . . . A . 4 TRP HB3 . . . . . . . . . rr_2dx4 1 . 2 . 366 . 1 1 4 TRP HD1 H 0.583 -2.443 -1.277 . . . 1.0 . . . . . . . . . . . . A . 4 TRP HD1 . . . . . . . . . rr_2dx4 1 . 2 . 367 . 1 1 4 TRP HE1 H 1.227 -3.650 -3.534 . . . 1.0 . . . . . . . . . . . . A . 4 TRP HE1 . . . . . . . . . rr_2dx4 1 . 2 . 368 . 1 1 4 TRP HE3 H -1.635 -6.877 -0.150 . . . 1.0 . . . . . . . . . . . . A . 4 TRP HE3 . . . . . . . . . rr_2dx4 1 . 2 . 369 . 1 1 4 TRP HH2 H -0.362 -8.453 -3.987 . . . 1.0 . . . . . . . . . . . . A . 4 TRP HH2 . . . . . . . . . rr_2dx4 1 . 2 . 370 . 1 1 4 TRP HZ2 H 0.747 -6.265 -4.571 . . . 1.0 . . . . . . . . . . . . A . 4 TRP HZ2 . . . . . . . . . rr_2dx4 1 . 2 . 371 . 1 1 4 TRP HZ3 H -1.502 -8.705 -1.840 . . . 1.0 . . . . . . . . . . . . A . 4 TRP HZ3 . . . . . . . . . rr_2dx4 1 . 2 . 372 . 1 1 4 TRP N N -0.359 -2.767 2.713 . . . 1.0 . . . . . . . . . . . . A . 4 TRP N . . . . . . . . . rr_2dx4 1 . 2 . 373 . 1 1 4 TRP NE1 N 0.661 -4.091 -2.714 . . . 1.0 . . . . . . . . . . . . A . 4 TRP NE1 . . . . . . . . . rr_2dx4 1 . 2 . 374 . 1 1 4 TRP O O -0.849 -0.422 0.538 . . . 1.0 . . . . . . . . . . . . A . 4 TRP O . . . . . . . . . rr_2dx4 1 . 2 . 375 . 1 1 5 LEU C C -3.505 -0.265 -0.699 . . . 1.0 . . . . . . . . . . . . A . 5 LEU C . . . . . . . . . rr_2dx4 1 . 2 . 376 . 1 1 5 LEU CA C -3.608 -0.653 0.777 . . . 1.0 . . . . . . . . . . . . A . 5 LEU CA . . . . . . . . . rr_2dx4 1 . 2 . 377 . 1 1 5 LEU CB C -3.431 0.525 1.736 . . . 1.0 . . . . . . . . . . . . A . 5 LEU CB . . . . . . . . . rr_2dx4 1 . 2 . 378 . 1 1 5 LEU CD1 C -3.176 2.565 0.275 . . . 1.0 . . . . . . . . . . . . A . 5 LEU CD1 . . . . . . . . . rr_2dx4 1 . 2 . 379 . 1 1 5 LEU CD2 C -5.482 1.632 0.773 . . . 1.0 . . . . . . . . . . . . A . 5 LEU CD2 . . . . . . . . . rr_2dx4 1 . 2 . 380 . 1 1 5 LEU CG C -4.061 1.849 1.297 . . . 1.0 . . . . . . . . . . . . A . 5 LEU CG . . . . . . . . . rr_2dx4 1 . 2 . 381 . 1 1 5 LEU H H -3.033 -2.562 1.379 . . . 1.0 . . . . . . . . . . . . A . 5 LEU H . . . . . . . . . rr_2dx4 1 . 2 . 382 . 1 1 5 LEU HA H -4.600 -1.068 0.956 . . . 1.0 . . . . . . . . . . . . A . 5 LEU HA . . . . . . . . . rr_2dx4 1 . 2 . 383 . 1 1 5 LEU HB2 H -3.852 0.248 2.703 . . . 1.0 . . . . . . . . . . . . A . 5 LEU HB2 . . . . . . . . . rr_2dx4 1 . 2 . 384 . 1 1 5 LEU HB3 H -2.364 0.687 1.889 . . . 1.0 . . . . . . . . . . . . A . 5 LEU HB3 . . . . . . . . . rr_2dx4 1 . 2 . 385 . 1 1 5 LEU HD11 H -3.799 2.981 -0.517 . . . 1.0 . . . . . . . . . . . . A . 5 LEU HD11 . . . . . . . . . rr_2dx4 1 . 2 . 386 . 1 1 5 LEU HD12 H -2.629 3.369 0.768 . . . 1.0 . . . . . . . . . . . . A . 5 LEU HD12 . . . . . . . . . rr_2dx4 1 . 2 . 387 . 1 1 5 LEU HD13 H -2.469 1.854 -0.154 . . . 1.0 . . . . . . . . . . . . A . 5 LEU HD13 . . . . . . . . . rr_2dx4 1 . 2 . 388 . 1 1 5 LEU HD21 H -6.194 2.106 1.449 . . . 1.0 . . . . . . . . . . . . A . 5 LEU HD21 . . . . . . . . . rr_2dx4 1 . 2 . 389 . 1 1 5 LEU HD22 H -5.574 2.073 -0.219 . . . 1.0 . . . . . . . . . . . . A . 5 LEU HD22 . . . . . . . . . rr_2dx4 1 . 2 . 390 . 1 1 5 LEU HD23 H -5.690 0.564 0.717 . . . 1.0 . . . . . . . . . . . . A . 5 LEU HD23 . . . . . . . . . rr_2dx4 1 . 2 . 391 . 1 1 5 LEU HG H -4.135 2.498 2.170 . . . 1.0 . . . . . . . . . . . . A . 5 LEU HG . . . . . . . . . rr_2dx4 1 . 2 . 392 . 1 1 5 LEU N N -2.640 -1.697 1.068 . . . 1.0 . . . . . . . . . . . . A . 5 LEU N . . . . . . . . . rr_2dx4 1 . 2 . 393 . 1 1 5 LEU O O -4.085 0.733 -1.125 . . . 1.0 . . . . . . . . . . . . A . 5 LEU O . . . . . . . . . rr_2dx4 1 . 2 . 394 . 1 1 6 ALA C C -3.888 -0.325 -3.463 . . . 1.0 . . . . . . . . . . . . A . 6 ALA C . . . . . . . . . rr_2dx4 1 . 2 . 395 . 1 1 6 ALA CA C -2.575 -0.828 -2.860 . . . 1.0 . . . . . . . . . . . . A . 6 ALA CA . . . . . . . . . rr_2dx4 1 . 2 . 396 . 1 1 6 ALA CB C -2.073 -2.104 -3.538 . . . 1.0 . . . . . . . . . . . . A . 6 ALA CB . . . . . . . . . rr_2dx4 1 . 2 . 397 . 1 1 6 ALA H H -2.293 -1.883 -1.087 . . . 1.0 . . . . . . . . . . . . A . 6 ALA H . . . . . . . . . rr_2dx4 1 . 2 . 398 . 1 1 6 ALA HA H -1.816 -0.052 -2.966 . . . 1.0 . . . . . . . . . . . . A . 6 ALA HA . . . . . . . . . rr_2dx4 1 . 2 . 399 . 1 1 6 ALA HB1 H -1.166 -1.884 -4.101 . . . 1.0 . . . . . . . . . . . . A . 6 ALA HB1 . . . . . . . . . rr_2dx4 1 . 2 . 400 . 1 1 6 ALA HB2 H -1.857 -2.857 -2.780 . . . 1.0 . . . . . . . . . . . . A . 6 ALA HB2 . . . . . . . . . rr_2dx4 1 . 2 . 401 . 1 1 6 ALA HB3 H -2.839 -2.481 -4.216 . . . 1.0 . . . . . . . . . . . . A . 6 ALA HB3 . . . . . . . . . rr_2dx4 1 . 2 . 402 . 1 1 6 ALA N N -2.762 -1.074 -1.440 . . . 1.0 . . . . . . . . . . . . A . 6 ALA N . . . . . . . . . rr_2dx4 1 . 2 . 403 . 1 1 6 ALA O O -4.772 -1.118 -3.785 . . . 1.0 . . . . . . . . . . . . A . 6 ALA O . . . . . . . . . rr_2dx4 1 . 2 . 404 . 1 1 7 HIS C C -4.837 3.030 -4.618 . . . 1.0 . . . . . . . . . . . . A . 7 HIS C . . . . . . . . . rr_2dx4 1 . 2 . 405 . 1 1 7 HIS CA C -5.165 1.608 -4.157 . . . 1.0 . . . . . . . . . . . . A . 7 HIS CA . . . . . . . . . rr_2dx4 1 . 2 . 406 . 1 1 7 HIS CB C -6.322 1.561 -3.157 . . . 1.0 . . . . . . . . . . . . A . 7 HIS CB . . . . . . . . . rr_2dx4 1 . 2 . 407 . 1 1 7 HIS CD2 C -6.612 3.996 -2.251 . . . 1.0 . . . . . . . . . . . . A . 7 HIS CD2 . . . . . . . . . rr_2dx4 1 . 2 . 408 . 1 1 7 HIS CE1 C -8.572 4.422 -3.125 . . . 1.0 . . . . . . . . . . . . A . 7 HIS CE1 . . . . . . . . . rr_2dx4 1 . 2 . 409 . 1 1 7 HIS CG C -7.006 2.891 -2.947 . . . 1.0 . . . . . . . . . . . . A . 7 HIS CG . . . . . . . . . rr_2dx4 1 . 2 . 410 . 1 1 7 HIS H H -3.252 1.629 -3.335 . . . 1.0 . . . . . . . . . . . . A . 7 HIS H . . . . . . . . . rr_2dx4 1 . 2 . 411 . 1 1 7 HIS HA H -5.450 1.012 -5.024 . . . 1.0 . . . . . . . . . . . . A . 7 HIS HA . . . . . . . . . rr_2dx4 1 . 2 . 412 . 1 1 7 HIS HB2 H -7.059 0.836 -3.503 . . . 1.0 . . . . . . . . . . . . A . 7 HIS HB2 . . . . . . . . . rr_2dx4 1 . 2 . 413 . 1 1 7 HIS HB3 H -5.947 1.202 -2.200 . . . 1.0 . . . . . . . . . . . . A . 7 HIS HB3 . . . . . . . . . rr_2dx4 1 . 2 . 414 . 1 1 7 HIS HD1 H -8.800 2.580 -4.052 . . . 1.0 . . . . . . . . . . . . A . 7 HIS HD1 . . . . . . . . . rr_2dx4 1 . 2 . 415 . 1 1 7 HIS HD2 H -5.679 4.101 -1.699 . . . 1.0 . . . . . . . . . . . . A . 7 HIS HD2 . . . . . . . . . rr_2dx4 1 . 2 . 416 . 1 1 7 HIS HE1 H -9.490 4.946 -3.392 . . . 1.0 . . . . . . . . . . . . A . 7 HIS HE1 . . . . . . . . . rr_2dx4 1 . 2 . 417 . 1 1 7 HIS HE2 H -7.558 5.809 -1.902 . . . 1.0 . . . . . . . . . . . . A . 7 HIS HE2 . . . . . . . . . rr_2dx4 1 . 2 . 418 . 1 1 7 HIS N N -3.975 0.990 -3.599 . . . 1.0 . . . . . . . . . . . . A . 7 HIS N . . . . . . . . . rr_2dx4 1 . 2 . 419 . 1 1 7 HIS ND1 N -8.246 3.190 -3.486 . . . 1.0 . . . . . . . . . . . . A . 7 HIS ND1 . . . . . . . . . rr_2dx4 1 . 2 . 420 . 1 1 7 HIS NE2 N -7.559 4.920 -2.360 . . . 1.0 . . . . . . . . . . . . A . 7 HIS NE2 . . . . . . . . . rr_2dx4 1 . 2 . 421 . 1 1 7 HIS O O -3.721 3.508 -4.422 . . . 1.0 . . . . . . . . . . . . A . 7 HIS O . . . . . . . . . rr_2dx4 1 . 2 . 422 . 1 1 8 ALA C C -4.900 5.846 -4.672 . . . 1.0 . . . . . . . . . . . . A . 8 ALA C . . . . . . . . . rr_2dx4 1 . 2 . 423 . 1 1 8 ALA CA C -5.661 5.023 -5.713 . . . 1.0 . . . . . . . . . . . . A . 8 ALA CA . . . . . . . . . rr_2dx4 1 . 2 . 424 . 1 1 8 ALA CB C -7.031 5.621 -6.041 . . . 1.0 . . . . . . . . . . . . A . 8 ALA CB . . . . . . . . . rr_2dx4 1 . 2 . 425 . 1 1 8 ALA H H -6.735 3.269 -5.379 . . . 1.0 . . . . . . . . . . . . A . 8 ALA H . . . . . . . . . rr_2dx4 1 . 2 . 426 . 1 1 8 ALA HA H -5.071 4.974 -6.628 . . . 1.0 . . . . . . . . . . . . A . 8 ALA HA . . . . . . . . . rr_2dx4 1 . 2 . 427 . 1 1 8 ALA HB1 H -6.990 6.705 -5.929 . . . 1.0 . . . . . . . . . . . . A . 8 ALA HB1 . . . . . . . . . rr_2dx4 1 . 2 . 428 . 1 1 8 ALA HB2 H -7.299 5.373 -7.068 . . . 1.0 . . . . . . . . . . . . A . 8 ALA HB2 . . . . . . . . . rr_2dx4 1 . 2 . 429 . 1 1 8 ALA HB3 H -7.778 5.213 -5.361 . . . 1.0 . . . . . . . . . . . . A . 8 ALA HB3 . . . . . . . . . rr_2dx4 1 . 2 . 430 . 1 1 8 ALA N N -5.830 3.666 -5.223 . . . 1.0 . . . . . . . . . . . . A . 8 ALA N . . . . . . . . . rr_2dx4 1 . 2 . 431 . 1 1 8 ALA O O -3.670 5.871 -4.674 . . . 1.0 . . . . . . . . . . . . A . 8 ALA O . . . . . . . . . rr_2dx4 1 . 2 . 432 . 1 1 9 LYS C C -3.814 7.998 -3.302 . . . 1.0 . . . . . . . . . . . . A . 9 LYS C . . . . . . . . . rr_2dx4 1 . 2 . 433 . 1 1 9 LYS CA C -5.075 7.320 -2.763 . . . 1.0 . . . . . . . . . . . . A . 9 LYS CA . . . . . . . . . rr_2dx4 1 . 2 . 434 . 1 1 9 LYS CB C -4.835 6.491 -1.500 . . . 1.0 . . . . . . . . . . . . A . 9 LYS CB . . . . . . . . . rr_2dx4 1 . 2 . 435 . 1 1 9 LYS CD C -5.294 7.637 0.699 . . . 1.0 . . . . . . . . . . . . A . 9 LYS CD . . . . . . . . . rr_2dx4 1 . 2 . 436 . 1 1 9 LYS CE C -5.945 9.005 0.486 . . . 1.0 . . . . . . . . . . . . A . 9 LYS CE . . . . . . . . . rr_2dx4 1 . 2 . 437 . 1 1 9 LYS CG C -4.248 7.353 -0.381 . . . 1.0 . . . . . . . . . . . . A . 9 LYS CG . . . . . . . . . rr_2dx4 1 . 2 . 438 . 1 1 9 LYS H H -6.662 6.473 -3.813 . . . 1.0 . . . . . . . . . . . . A . 9 LYS H . . . . . . . . . rr_2dx4 1 . 2 . 439 . 1 1 9 LYS HA H -5.800 8.093 -2.508 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HA . . . . . . . . . rr_2dx4 1 . 2 . 440 . 1 1 9 LYS HB2 H -5.774 6.047 -1.167 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HB2 . . . . . . . . . rr_2dx4 1 . 2 . 441 . 1 1 9 LYS HB3 H -4.156 5.668 -1.724 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HB3 . . . . . . . . . rr_2dx4 1 . 2 . 442 . 1 1 9 LYS HD2 H -6.058 6.860 0.683 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HD2 . . . . . . . . . rr_2dx4 1 . 2 . 443 . 1 1 9 LYS HD3 H -4.825 7.603 1.683 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HD3 . . . . . . . . . rr_2dx4 1 . 2 . 444 . 1 1 9 LYS HE2 H -5.206 9.793 0.630 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HE2 . . . . . . . . . rr_2dx4 1 . 2 . 445 . 1 1 9 LYS HE3 H -6.303 9.088 -0.541 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HE3 . . . . . . . . . rr_2dx4 1 . 2 . 446 . 1 1 9 LYS HG2 H -3.391 6.846 0.063 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HG2 . . . . . . . . . rr_2dx4 1 . 2 . 447 . 1 1 9 LYS HG3 H -3.883 8.293 -0.795 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HG3 . . . . . . . . . rr_2dx4 1 . 2 . 448 . 1 1 9 LYS HZ1 H -7.556 10.041 1.200 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HZ1 . . . . . . . . . rr_2dx4 1 . 2 . 449 . 1 1 9 LYS HZ2 H -7.701 8.422 1.354 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HZ2 . . . . . . . . . rr_2dx4 1 . 2 . 450 . 1 1 9 LYS HZ3 H -6.720 9.253 2.361 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HZ3 . . . . . . . . . rr_2dx4 1 . 2 . 451 . 1 1 9 LYS N N -5.663 6.499 -3.807 . . . 1.0 . . . . . . . . . . . . A . 9 LYS N . . . . . . . . . rr_2dx4 1 . 2 . 452 . 1 1 9 LYS NZ N -7.072 9.195 1.426 . . . 1.0 . . . . . . . . . . . . A . 9 LYS NZ . . . . . . . . . rr_2dx4 1 . 2 . 453 . 1 1 9 LYS O O -2.762 7.957 -2.665 . . . 1.0 . . . . . . . . . . . . A . 9 LYS O . . . . . . . . . rr_2dx4 1 . 2 . 454 . 1 1 10 ALA C C -1.826 8.259 -5.586 . . . 1.0 . . . . . . . . . . . . A . 10 ALA C . . . . . . . . . rr_2dx4 1 . 2 . 455 . 1 1 10 ALA CA C -2.846 9.292 -5.102 . . . 1.0 . . . . . . . . . . . . A . 10 ALA CA . . . . . . . . . rr_2dx4 1 . 2 . 456 . 1 1 10 ALA CB C -2.240 10.294 -4.119 . . . 1.0 . . . . . . . . . . . . A . 10 ALA CB . . . . . . . . . rr_2dx4 1 . 2 . 457 . 1 1 10 ALA H H -4.819 8.634 -4.982 . . . 1.0 . . . . . . . . . . . . A . 10 ALA H . . . . . . . . . rr_2dx4 1 . 2 . 458 . 1 1 10 ALA HA H -3.236 9.836 -5.963 . . . 1.0 . . . . . . . . . . . . A . 10 ALA HA . . . . . . . . . rr_2dx4 1 . 2 . 459 . 1 1 10 ALA HB1 H -2.634 10.108 -3.120 . . . 1.0 . . . . . . . . . . . . A . 10 ALA HB1 . . . . . . . . . rr_2dx4 1 . 2 . 460 . 1 1 10 ALA HB2 H -1.155 10.182 -4.108 . . . 1.0 . . . . . . . . . . . . A . 10 ALA HB2 . . . . . . . . . rr_2dx4 1 . 2 . 461 . 1 1 10 ALA HB3 H -2.497 11.307 -4.428 . . . 1.0 . . . . . . . . . . . . A . 10 ALA HB3 . . . . . . . . . rr_2dx4 1 . 2 . 462 . 1 1 10 ALA N N -3.961 8.606 -4.470 . . . 1.0 . . . . . . . . . . . . A . 10 ALA N . . . . . . . . . rr_2dx4 1 . 2 . 463 . 1 1 10 ALA O O -0.646 8.341 -5.247 . . . 1.0 . . . . . . . . . . . . A . 10 ALA O . . . . . . . . . rr_2dx4 1 . 2 . 464 . 1 1 11 GLY C C -0.626 5.621 -5.796 . . . 1.0 . . . . . . . . . . . . A . 11 GLY C . . . . . . . . . rr_2dx4 1 . 2 . 465 . 1 1 11 GLY CA C -1.463 6.264 -6.904 . . . 1.0 . . . . . . . . . . . . A . 11 GLY CA . . . . . . . . . rr_2dx4 1 . 2 . 466 . 1 1 11 GLY H H -3.278 7.252 -6.641 . . . 1.0 . . . . . . . . . . . . A . 11 GLY H . . . . . . . . . rr_2dx4 1 . 2 . 467 . 1 1 11 GLY HA2 H -2.074 5.504 -7.391 . . . 1.0 . . . . . . . . . . . . A . 11 GLY HA2 . . . . . . . . . rr_2dx4 1 . 2 . 468 . 1 1 11 GLY HA3 H -0.805 6.680 -7.667 . . . 1.0 . . . . . . . . . . . . A . 11 GLY HA3 . . . . . . . . . rr_2dx4 1 . 2 . 469 . 1 1 11 GLY N N -2.317 7.311 -6.370 . . . 1.0 . . . . . . . . . . . . A . 11 GLY N . . . . . . . . . rr_2dx4 1 . 2 . 470 . 1 1 11 GLY O O 0.540 5.291 -6.006 . . . 1.0 . . . . . . . . . . . . A . 11 GLY O . . . . . . . . . rr_2dx4 1 . 2 . 471 . 1 1 12 TYR C C -0.245 3.398 -3.768 . . . 1.0 . . . . . . . . . . . . A . 12 TYR C . . . . . . . . . rr_2dx4 1 . 2 . 472 . 1 1 12 TYR CA C -0.582 4.866 -3.499 . . . 1.0 . . . . . . . . . . . . A . 12 TYR CA . . . . . . . . . rr_2dx4 1 . 2 . 473 . 1 1 12 TYR CB C -1.574 4.944 -2.337 . . . 1.0 . . . . . . . . . . . . A . 12 TYR CB . . . . . . . . . rr_2dx4 1 . 2 . 474 . 1 1 12 TYR CD1 C -0.696 3.297 -0.642 . . . 1.0 . . . . . . . . . . . . A . 12 TYR CD1 . . . . . . . . . rr_2dx4 1 . 2 . 475 . 1 1 12 TYR CD2 C -0.683 5.620 -0.078 . . . 1.0 . . . . . . . . . . . . A . 12 TYR CD2 . . . . . . . . . rr_2dx4 1 . 2 . 476 . 1 1 12 TYR CE1 C -0.121 2.983 0.641 . . . 1.0 . . . . . . . . . . . . A . 12 TYR CE1 . . . . . . . . . rr_2dx4 1 . 2 . 477 . 1 1 12 TYR CE2 C -0.108 5.306 1.205 . . . 1.0 . . . . . . . . . . . . A . 12 TYR CE2 . . . . . . . . . rr_2dx4 1 . 2 . 478 . 1 1 12 TYR CG C -0.964 4.610 -0.974 . . . 1.0 . . . . . . . . . . . . A . 12 TYR CG . . . . . . . . . rr_2dx4 1 . 2 . 479 . 1 1 12 TYR CZ C 0.144 4.002 1.501 . . . 1.0 . . . . . . . . . . . . A . 12 TYR CZ . . . . . . . . . rr_2dx4 1 . 2 . 480 . 1 1 12 TYR H H -2.203 5.735 -4.477 . . . 1.0 . . . . . . . . . . . . A . 12 TYR H . . . . . . . . . rr_2dx4 1 . 2 . 481 . 1 1 12 TYR HA H 0.342 5.418 -3.326 . . . 1.0 . . . . . . . . . . . . A . 12 TYR HA . . . . . . . . . rr_2dx4 1 . 2 . 482 . 1 1 12 TYR HB2 H -1.995 5.949 -2.298 . . . 1.0 . . . . . . . . . . . . A . 12 TYR HB2 . . . . . . . . . rr_2dx4 1 . 2 . 483 . 1 1 12 TYR HB3 H -2.400 4.260 -2.531 . . . 1.0 . . . . . . . . . . . . A . 12 TYR HB3 . . . . . . . . . rr_2dx4 1 . 2 . 484 . 1 1 12 TYR HD1 H -0.918 2.499 -1.350 . . . 1.0 . . . . . . . . . . . . A . 12 TYR HD1 . . . . . . . . . rr_2dx4 1 . 2 . 485 . 1 1 12 TYR HD2 H -0.895 6.657 -0.340 . . . 1.0 . . . . . . . . . . . . A . 12 TYR HD2 . . . . . . . . . rr_2dx4 1 . 2 . 486 . 1 1 12 TYR HE1 H 0.096 1.951 0.916 . . . 1.0 . . . . . . . . . . . . A . 12 TYR HE1 . . . . . . . . . rr_2dx4 1 . 2 . 487 . 1 1 12 TYR HE2 H 0.119 6.094 1.922 . . . 1.0 . . . . . . . . . . . . A . 12 TYR HE2 . . . . . . . . . rr_2dx4 1 . 2 . 488 . 1 1 12 TYR HH H -0.014 3.325 3.316 . . . 1.0 . . . . . . . . . . . . A . 12 TYR HH . . . . . . . . . rr_2dx4 1 . 2 . 489 . 1 1 12 TYR N N -1.254 5.463 -4.640 . . . 1.0 . . . . . . . . . . . . A . 12 TYR N . . . . . . . . . rr_2dx4 1 . 2 . 490 . 1 1 12 TYR O O 0.491 2.776 -3.003 . . . 1.0 . . . . . . . . . . . . A . 12 TYR O . . . . . . . . . rr_2dx4 1 . 2 . 491 . 1 1 12 TYR OH O 0.686 3.705 2.712 . . . 1.0 . . . . . . . . . . . . A . 12 TYR OH . . . . . . . . . rr_2dx4 1 . 2 . 492 . 1 1 13 ILE C C 0.903 1.152 -4.989 . . . 1.0 . . . . . . . . . . . . A . 13 ILE C . . . . . . . . . rr_2dx4 1 . 2 . 493 . 1 1 13 ILE CA C -0.565 1.504 -5.237 . . . 1.0 . . . . . . . . . . . . A . 13 ILE CA . . . . . . . . . rr_2dx4 1 . 2 . 494 . 1 1 13 ILE CB C -1.020 1.259 -6.677 . . . 1.0 . . . . . . . . . . . . A . 13 ILE CB . . . . . . . . . rr_2dx4 1 . 2 . 495 . 1 1 13 ILE CD1 C -0.788 -1.245 -6.499 . . . 1.0 . . . . . . . . . . . . A . 13 ILE CD1 . . . . . . . . . rr_2dx4 1 . 2 . 496 . 1 1 13 ILE CG1 C -0.355 0.010 -7.258 . . . 1.0 . . . . . . . . . . . . A . 13 ILE CG1 . . . . . . . . . rr_2dx4 1 . 2 . 497 . 1 1 13 ILE CG2 C -0.778 2.495 -7.547 . . . 1.0 . . . . . . . . . . . . A . 13 ILE CG2 . . . . . . . . . rr_2dx4 1 . 2 . 498 . 1 1 13 ILE H H -1.395 3.400 -5.475 . . . 1.0 . . . . . . . . . . . . A . 13 ILE H . . . . . . . . . rr_2dx4 1 . 2 . 499 . 1 1 13 ILE HA H -1.183 0.880 -4.593 . . . 1.0 . . . . . . . . . . . . A . 13 ILE HA . . . . . . . . . rr_2dx4 1 . 2 . 500 . 1 1 13 ILE HB H -2.095 1.077 -6.669 . . . 1.0 . . . . . . . . . . . . A . 13 ILE HB . . . . . . . . . rr_2dx4 1 . 2 . 501 . 1 1 13 ILE HD11 H -1.643 -1.010 -5.865 . . . 1.0 . . . . . . . . . . . . A . 13 ILE HD11 . . . . . . . . . rr_2dx4 1 . 2 . 502 . 1 1 13 ILE HD12 H -1.067 -2.023 -7.211 . . . 1.0 . . . . . . . . . . . . A . 13 ILE HD12 . . . . . . . . . rr_2dx4 1 . 2 . 503 . 1 1 13 ILE HD13 H 0.037 -1.598 -5.880 . . . 1.0 . . . . . . . . . . . . A . 13 ILE HD13 . . . . . . . . . rr_2dx4 1 . 2 . 504 . 1 1 13 ILE HG12 H -0.617 -0.089 -8.312 . . . 1.0 . . . . . . . . . . . . A . 13 ILE HG12 . . . . . . . . . rr_2dx4 1 . 2 . 505 . 1 1 13 ILE HG13 H 0.729 0.114 -7.208 . . . 1.0 . . . . . . . . . . . . A . 13 ILE HG13 . . . . . . . . . rr_2dx4 1 . 2 . 506 . 1 1 13 ILE HG21 H -0.532 2.183 -8.561 . . . 1.0 . . . . . . . . . . . . A . 13 ILE HG21 . . . . . . . . . rr_2dx4 1 . 2 . 507 . 1 1 13 ILE HG22 H -1.679 3.109 -7.564 . . . 1.0 . . . . . . . . . . . . A . 13 ILE HG22 . . . . . . . . . rr_2dx4 1 . 2 . 508 . 1 1 13 ILE HG23 H 0.048 3.073 -7.134 . . . 1.0 . . . . . . . . . . . . A . 13 ILE HG23 . . . . . . . . . rr_2dx4 1 . 2 . 509 . 1 1 13 ILE N N -0.798 2.887 -4.858 . . . 1.0 . . . . . . . . . . . . A . 13 ILE N . . . . . . . . . rr_2dx4 1 . 2 . 510 . 1 1 13 ILE O O 1.771 1.490 -5.793 . . . 1.0 . . . . . . . . . . . . A . 13 ILE O . . . . . . . . . rr_2dx4 1 . 2 . 511 . 1 1 14 VAL C C 2.561 -1.451 -3.457 . . . 1.0 . . . . . . . . . . . . A . 14 VAL C . . . . . . . . . rr_2dx4 1 . 2 . 512 . 1 1 14 VAL CA C 2.485 0.077 -3.508 . . . 1.0 . . . . . . . . . . . . A . 14 VAL CA . . . . . . . . . rr_2dx4 1 . 2 . 513 . 1 1 14 VAL CB C 2.890 0.740 -2.191 . . . 1.0 . . . . . . . . . . . . A . 14 VAL CB . . . . . . . . . rr_2dx4 1 . 2 . 514 . 1 1 14 VAL CG1 C 2.408 -0.080 -0.992 . . . 1.0 . . . . . . . . . . . . A . 14 VAL CG1 . . . . . . . . . rr_2dx4 1 . 2 . 515 . 1 1 14 VAL CG2 C 4.403 0.962 -2.131 . . . 1.0 . . . . . . . . . . . . A . 14 VAL CG2 . . . . . . . . . rr_2dx4 1 . 2 . 516 . 1 1 14 VAL H H 0.425 0.207 -3.224 . . . 1.0 . . . . . . . . . . . . A . 14 VAL H . . . . . . . . . rr_2dx4 1 . 2 . 517 . 1 1 14 VAL HA H 3.157 0.436 -4.288 . . . 1.0 . . . . . . . . . . . . A . 14 VAL HA . . . . . . . . . rr_2dx4 1 . 2 . 518 . 1 1 14 VAL HB H 2.407 1.716 -2.144 . . . 1.0 . . . . . . . . . . . . A . 14 VAL HB . . . . . . . . . rr_2dx4 1 . 2 . 519 . 1 1 14 VAL HG11 H 2.077 0.592 -0.201 . . . 1.0 . . . . . . . . . . . . A . 14 VAL HG11 . . . . . . . . . rr_2dx4 1 . 2 . 520 . 1 1 14 VAL HG12 H 1.579 -0.718 -1.299 . . . 1.0 . . . . . . . . . . . . A . 14 VAL HG12 . . . . . . . . . rr_2dx4 1 . 2 . 521 . 1 1 14 VAL HG13 H 3.226 -0.699 -0.624 . . . 1.0 . . . . . . . . . . . . A . 14 VAL HG13 . . . . . . . . . rr_2dx4 1 . 2 . 522 . 1 1 14 VAL HG21 H 4.610 1.944 -1.707 . . . 1.0 . . . . . . . . . . . . A . 14 VAL HG21 . . . . . . . . . rr_2dx4 1 . 2 . 523 . 1 1 14 VAL HG22 H 4.858 0.193 -1.507 . . . 1.0 . . . . . . . . . . . . A . 14 VAL HG22 . . . . . . . . . rr_2dx4 1 . 2 . 524 . 1 1 14 VAL HG23 H 4.818 0.906 -3.137 . . . 1.0 . . . . . . . . . . . . A . 14 VAL HG23 . . . . . . . . . rr_2dx4 1 . 2 . 525 . 1 1 14 VAL N N 1.137 0.478 -3.873 . . . 1.0 . . . . . . . . . . . . A . 14 VAL N . . . . . . . . . rr_2dx4 1 . 2 . 526 . 1 1 14 VAL O O 1.646 -2.137 -3.908 . . . 1.0 . . . . . . . . . . . . A . 14 VAL O . . . . . . . . . rr_2dx4 1 . 2 . 527 . 1 1 15 HIS C C 4.952 -3.650 -1.741 . . . 1.0 . . . . . . . . . . . . A . 15 HIS C . . . . . . . . . rr_2dx4 1 . 2 . 528 . 1 1 15 HIS CA C 3.870 -3.371 -2.786 . . . 1.0 . . . . . . . . . . . . A . 15 HIS CA . . . . . . . . . rr_2dx4 1 . 2 . 529 . 1 1 15 HIS CB C 4.190 -3.986 -4.150 . . . 1.0 . . . . . . . . . . . . A . 15 HIS CB . . . . . . . . . rr_2dx4 1 . 2 . 530 . 1 1 15 HIS CD2 C 3.522 -2.167 -5.904 . . . 1.0 . . . . . . . . . . . . A . 15 HIS CD2 . . . . . . . . . rr_2dx4 1 . 2 . 531 . 1 1 15 HIS CE1 C 1.903 -3.262 -6.888 . . . 1.0 . . . . . . . . . . . . A . 15 HIS CE1 . . . . . . . . . rr_2dx4 1 . 2 . 532 . 1 1 15 HIS CG C 3.411 -3.382 -5.294 . . . 1.0 . . . . . . . . . . . . A . 15 HIS CG . . . . . . . . . rr_2dx4 1 . 2 . 533 . 1 1 15 HIS H H 4.401 -1.372 -2.538 . . . 1.0 . . . . . . . . . . . . A . 15 HIS H . . . . . . . . . rr_2dx4 1 . 2 . 534 . 1 1 15 HIS HA H 2.927 -3.797 -2.443 . . . 1.0 . . . . . . . . . . . . A . 15 HIS HA . . . . . . . . . rr_2dx4 1 . 2 . 535 . 1 1 15 HIS HB2 H 5.256 -3.870 -4.348 . . . 1.0 . . . . . . . . . . . . A . 15 HIS HB2 . . . . . . . . . rr_2dx4 1 . 2 . 536 . 1 1 15 HIS HB3 H 3.987 -5.056 -4.111 . . . 1.0 . . . . . . . . . . . . A . 15 HIS HB3 . . . . . . . . . rr_2dx4 1 . 2 . 537 . 1 1 15 HIS HD1 H 2.057 -4.969 -5.718 . . . 1.0 . . . . . . . . . . . . A . 15 HIS HD1 . . . . . . . . . rr_2dx4 1 . 2 . 538 . 1 1 15 HIS HD2 H 4.237 -1.386 -5.644 . . . 1.0 . . . . . . . . . . . . A . 15 HIS HD2 . . . . . . . . . rr_2dx4 1 . 2 . 539 . 1 1 15 HIS HE1 H 1.086 -3.503 -7.568 . . . 1.0 . . . . . . . . . . . . A . 15 HIS HE1 . . . . . . . . . rr_2dx4 1 . 2 . 540 . 1 1 15 HIS HE2 H 2.429 -1.295 -7.438 . . . 1.0 . . . . . . . . . . . . A . 15 HIS HE2 . . . . . . . . . rr_2dx4 1 . 2 . 541 . 1 1 15 HIS N N 3.662 -1.938 -2.903 . . . 1.0 . . . . . . . . . . . . A . 15 HIS N . . . . . . . . . rr_2dx4 1 . 2 . 542 . 1 1 15 HIS ND1 N 2.383 -4.049 -5.936 . . . 1.0 . . . . . . . . . . . . A . 15 HIS ND1 . . . . . . . . . rr_2dx4 1 . 2 . 543 . 1 1 15 HIS NE2 N 2.611 -2.096 -6.866 . . . 1.0 . . . . . . . . . . . . A . 15 HIS NE2 . . . . . . . . . rr_2dx4 1 . 2 . 544 . 1 1 15 HIS O O 5.968 -4.273 -2.045 . . . 1.0 . . . . . . . . . . . . A . 15 HIS O . . . . . . . . . rr_2dx4 1 . 2 . 545 . 1 1 16 TRP C C 5.647 -4.850 0.923 . . . 1.0 . . . . . . . . . . . . A . 16 TRP C . . . . . . . . . rr_2dx4 1 . 2 . 546 . 1 1 16 TRP CA C 5.637 -3.363 0.560 . . . 1.0 . . . . . . . . . . . . A . 16 TRP CA . . . . . . . . . rr_2dx4 1 . 2 . 547 . 1 1 16 TRP CB C 5.290 -2.461 1.746 . . . 1.0 . . . . . . . . . . . . A . 16 TRP CB . . . . . . . . . rr_2dx4 1 . 2 . 548 . 1 1 16 TRP CD1 C 4.096 -0.176 1.614 . . . 1.0 . . . . . . . . . . . . A . 16 TRP CD1 . . . . . . . . . rr_2dx4 1 . 2 . 549 . 1 1 16 TRP CD2 C 6.115 -0.162 0.702 . . . 1.0 . . . . . . . . . . . . A . 16 TRP CD2 . . . . . . . . . rr_2dx4 1 . 2 . 550 . 1 1 16 TRP CE2 C 5.592 1.107 0.566 . . . 1.0 . . . . . . . . . . . . A . 16 TRP CE2 . . . . . . . . . rr_2dx4 1 . 2 . 551 . 1 1 16 TRP CE3 C 7.396 -0.482 0.219 . . . 1.0 . . . . . . . . . . . . A . 16 TRP CE3 . . . . . . . . . rr_2dx4 1 . 2 . 552 . 1 1 16 TRP CG C 5.141 -0.983 1.380 . . . 1.0 . . . . . . . . . . . . A . 16 TRP CG . . . . . . . . . rr_2dx4 1 . 2 . 553 . 1 1 16 TRP CH2 C 7.559 1.862 -0.541 . . . 1.0 . . . . . . . . . . . . A . 16 TRP CH2 . . . . . . . . . rr_2dx4 1 . 2 . 554 . 1 1 16 TRP CZ2 C 6.281 2.158 -0.052 . . . 1.0 . . . . . . . . . . . . A . 16 TRP CZ2 . . . . . . . . . rr_2dx4 1 . 2 . 555 . 1 1 16 TRP CZ3 C 8.072 0.579 -0.396 . . . 1.0 . . . . . . . . . . . . A . 16 TRP CZ3 . . . . . . . . . rr_2dx4 1 . 2 . 556 . 1 1 16 TRP H H 3.869 -2.667 -0.292 . . . 1.0 . . . . . . . . . . . . A . 16 TRP H . . . . . . . . . rr_2dx4 1 . 2 . 557 . 1 1 16 TRP HA H 6.623 -3.059 0.208 . . . 1.0 . . . . . . . . . . . . A . 16 TRP HA . . . . . . . . . rr_2dx4 1 . 2 . 558 . 1 1 16 TRP HB2 H 4.360 -2.809 2.194 . . . 1.0 . . . . . . . . . . . . A . 16 TRP HB2 . . . . . . . . . rr_2dx4 1 . 2 . 559 . 1 1 16 TRP HB3 H 6.066 -2.560 2.505 . . . 1.0 . . . . . . . . . . . . A . 16 TRP HB3 . . . . . . . . . rr_2dx4 1 . 2 . 560 . 1 1 16 TRP HD1 H 3.181 -0.488 2.118 . . . 1.0 . . . . . . . . . . . . A . 16 TRP HD1 . . . . . . . . . rr_2dx4 1 . 2 . 561 . 1 1 16 TRP HE1 H 3.639 1.943 1.200 . . . 1.0 . . . . . . . . . . . . A . 16 TRP HE1 . . . . . . . . . rr_2dx4 1 . 2 . 562 . 1 1 16 TRP HE3 H 7.832 -1.477 0.314 . . . 1.0 . . . . . . . . . . . . A . 16 TRP HE3 . . . . . . . . . rr_2dx4 1 . 2 . 563 . 1 1 16 TRP HH2 H 8.149 2.636 -1.033 . . . 1.0 . . . . . . . . . . . . A . 16 TRP HH2 . . . . . . . . . rr_2dx4 1 . 2 . 564 . 1 1 16 TRP HZ2 H 5.845 3.153 -0.147 . . . 1.0 . . . . . . . . . . . . A . 16 TRP HZ2 . . . . . . . . . rr_2dx4 1 . 2 . 565 . 1 1 16 TRP HZ3 H 9.070 0.385 -0.788 . . . 1.0 . . . . . . . . . . . . A . 16 TRP HZ3 . . . . . . . . . rr_2dx4 1 . 2 . 566 . 1 1 16 TRP N N 4.697 -3.173 -0.531 . . . 1.0 . . . . . . . . . . . . A . 16 TRP N . . . . . . . . . rr_2dx4 1 . 2 . 567 . 1 1 16 TRP NE1 N 4.325 1.099 1.138 . . . 1.0 . . . . . . . . . . . . A . 16 TRP NE1 . . . . . . . . . rr_2dx4 1 . 2 . 568 . 1 1 16 TRP O O 5.249 -5.691 0.119 . . . 1.0 . . . . . . . . . . . . A . 16 TRP O . . . . . . . . . rr_2dx4 1 . 2 . 569 . 1 1 17 THR C C 5.973 -6.543 4.130 . . . 1.0 . . . . . . . . . . . . A . 17 THR C . . . . . . . . . rr_2dx4 1 . 2 . 570 . 1 1 17 THR CA C 6.172 -6.498 2.613 . . . 1.0 . . . . . . . . . . . . A . 17 THR CA . . . . . . . . . rr_2dx4 1 . 2 . 571 . 1 1 17 THR CB C 7.505 -7.094 2.158 . . . 1.0 . . . . . . . . . . . . A . 17 THR CB . . . . . . . . . rr_2dx4 1 . 2 . 572 . 1 1 17 THR CG2 C 7.625 -7.165 0.634 . . . 1.0 . . . . . . . . . . . . A . 17 THR CG2 . . . . . . . . . rr_2dx4 1 . 2 . 573 . 1 1 17 THR H H 6.427 -4.437 2.783 . . . 1.0 . . . . . . . . . . . . A . 17 THR H . . . . . . . . . rr_2dx4 1 . 2 . 574 . 1 1 17 THR HA H 5.351 -7.058 2.166 . . . 1.0 . . . . . . . . . . . . A . 17 THR HA . . . . . . . . . rr_2dx4 1 . 2 . 575 . 1 1 17 THR HB H 7.668 -8.073 2.607 . . . 1.0 . . . . . . . . . . . . A . 17 THR HB . . . . . . . . . rr_2dx4 1 . 2 . 576 . 1 1 17 THR HG1 H 8.313 -5.267 2.030 . . . 1.0 . . . . . . . . . . . . A . 17 THR HG1 . . . . . . . . . rr_2dx4 1 . 2 . 577 . 1 1 17 THR HG21 H 8.513 -7.737 0.365 . . . 1.0 . . . . . . . . . . . . A . 17 THR HG21 . . . . . . . . . rr_2dx4 1 . 2 . 578 . 1 1 17 THR HG22 H 6.740 -7.652 0.223 . . . 1.0 . . . . . . . . . . . . A . 17 THR HG22 . . . . . . . . . rr_2dx4 1 . 2 . 579 . 1 1 17 THR HG23 H 7.706 -6.157 0.228 . . . 1.0 . . . . . . . . . . . . A . 17 THR HG23 . . . . . . . . . rr_2dx4 1 . 2 . 580 . 1 1 17 THR N N 6.106 -5.128 2.135 . . . 1.0 . . . . . . . . . . . . A . 17 THR N . . . . . . . . . rr_2dx4 1 . 2 . 581 . 1 1 17 THR O O 6.498 -5.698 4.854 . . . 1.0 . . . . . . . . . . . . A . 17 THR O . . . . . . . . . rr_2dx4 1 . 2 . 582 . 1 1 17 THR OG1 O 8.470 -6.115 2.536 . . . 1.0 . . . . . . . . . . . . A . 17 THR OG1 . . . . . . . . . rr_2dx4 1 . 2 . 583 . 1 1 18 ALA C C 6.207 -7.400 6.782 . . . 1.0 . . . . . . . . . . . . A . 18 ALA C . . . . . . . . . rr_2dx4 1 . 2 . 584 . 1 1 18 ALA CA C 4.938 -7.704 5.982 . . . 1.0 . . . . . . . . . . . . A . 18 ALA CA . . . . . . . . . rr_2dx4 1 . 2 . 585 . 1 1 18 ALA CB C 4.412 -9.118 6.238 . . . 1.0 . . . . . . . . . . . . A . 18 ALA CB . . . . . . . . . rr_2dx4 1 . 2 . 586 . 1 1 18 ALA H H 4.790 -8.220 3.970 . . . 1.0 . . . . . . . . . . . . A . 18 ALA H . . . . . . . . . rr_2dx4 1 . 2 . 587 . 1 1 18 ALA HA H 4.165 -6.986 6.257 . . . 1.0 . . . . . . . . . . . . A . 18 ALA HA . . . . . . . . . rr_2dx4 1 . 2 . 588 . 1 1 18 ALA HB1 H 4.921 -9.820 5.577 . . . 1.0 . . . . . . . . . . . . A . 18 ALA HB1 . . . . . . . . . rr_2dx4 1 . 2 . 589 . 1 1 18 ALA HB2 H 4.601 -9.393 7.275 . . . 1.0 . . . . . . . . . . . . A . 18 ALA HB2 . . . . . . . . . rr_2dx4 1 . 2 . 590 . 1 1 18 ALA HB3 H 3.340 -9.147 6.043 . . . 1.0 . . . . . . . . . . . . A . 18 ALA HB3 . . . . . . . . . rr_2dx4 1 . 2 . 591 . 1 1 18 ALA N N 5.213 -7.537 4.565 . . . 1.0 . . . . . . . . . . . . A . 18 ALA N . . . . . . . . . rr_2dx4 1 . 2 . 592 . 1 1 18 ALA O O 6.131 -6.928 7.916 . . . 1.0 . . . . . . . . . . . . A . 18 ALA O . . . . . . . . . rr_2dx4 1 . 3 . 593 . 1 1 1 ILE C C 1.128 -5.403 8.252 . . . 1.0 . . . . . . . . . . . . A . 1 ILE C . . . . . . . . . rr_2dx4 1 . 3 . 594 . 1 1 1 ILE CA C 1.578 -5.146 9.691 . . . 1.0 . . . . . . . . . . . . A . 1 ILE CA . . . . . . . . . rr_2dx4 1 . 3 . 595 . 1 1 1 ILE CB C 3.098 -5.116 9.865 . . . 1.0 . . . . . . . . . . . . A . 1 ILE CB . . . . . . . . . rr_2dx4 1 . 3 . 596 . 1 1 1 ILE CD1 C 3.188 -3.808 12.019 . . . 1.0 . . . . . . . . . . . . A . 1 ILE CD1 . . . . . . . . . rr_2dx4 1 . 3 . 597 . 1 1 1 ILE CG1 C 3.481 -5.150 11.346 . . . 1.0 . . . . . . . . . . . . A . 1 ILE CG1 . . . . . . . . . rr_2dx4 1 . 3 . 598 . 1 1 1 ILE CG2 C 3.708 -3.914 9.142 . . . 1.0 . . . . . . . . . . . . A . 1 ILE CG2 . . . . . . . . . rr_2dx4 1 . 3 . 599 . 1 1 1 ILE H1 H 0.099 -6.497 10.265 . . . 1.0 . . . . . . . . . . . . A . 1 ILE H1 . . . . . . . . . rr_2dx4 1 . 3 . 600 . 1 1 1 ILE HA H 1.198 -4.174 10.004 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HA . . . . . . . . . rr_2dx4 1 . 3 . 601 . 1 1 1 ILE HB H 3.512 -6.013 9.404 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HB . . . . . . . . . rr_2dx4 1 . 3 . 602 . 1 1 1 ILE HD11 H 4.052 -3.152 11.913 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HD11 . . . . . . . . . rr_2dx4 1 . 3 . 603 . 1 1 1 ILE HD12 H 2.321 -3.346 11.547 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HD12 . . . . . . . . . rr_2dx4 1 . 3 . 604 . 1 1 1 ILE HD13 H 2.982 -3.970 13.077 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HD13 . . . . . . . . . rr_2dx4 1 . 3 . 605 . 1 1 1 ILE HG12 H 2.928 -5.943 11.850 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HG12 . . . . . . . . . rr_2dx4 1 . 3 . 606 . 1 1 1 ILE HG13 H 4.540 -5.388 11.445 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HG13 . . . . . . . . . rr_2dx4 1 . 3 . 607 . 1 1 1 ILE HG21 H 2.944 -3.428 8.535 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HG21 . . . . . . . . . rr_2dx4 1 . 3 . 608 . 1 1 1 ILE HG22 H 4.093 -3.206 9.876 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HG22 . . . . . . . . . rr_2dx4 1 . 3 . 609 . 1 1 1 ILE HG23 H 4.522 -4.251 8.500 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HG23 . . . . . . . . . rr_2dx4 1 . 3 . 610 . 1 1 1 ILE N N 0.986 -6.146 10.565 . . . 1.0 . . . . . . . . . . . . A . 1 ILE N . . . . . . . . . rr_2dx4 1 . 3 . 611 . 1 1 1 ILE O O 0.942 -6.551 7.851 . . . 1.0 . . . . . . . . . . . . A . 1 ILE O . . . . . . . . . rr_2dx4 1 . 3 . 612 . 1 1 2 ASN C C 0.104 -3.025 5.639 . . . 1.0 . . . . . . . . . . . . A . 2 ASN C . . . . . . . . . rr_2dx4 1 . 3 . 613 . 1 1 2 ASN CA C 0.542 -4.407 6.127 . . . 1.0 . . . . . . . . . . . . A . 2 ASN CA . . . . . . . . . rr_2dx4 1 . 3 . 614 . 1 1 2 ASN CB C -0.645 -5.360 5.977 . . . 1.0 . . . . . . . . . . . . A . 2 ASN CB . . . . . . . . . rr_2dx4 1 . 3 . 615 . 1 1 2 ASN CG C -0.322 -6.489 4.996 . . . 1.0 . . . . . . . . . . . . A . 2 ASN CG . . . . . . . . . rr_2dx4 1 . 3 . 616 . 1 1 2 ASN H H 1.120 -3.384 7.847 . . . 1.0 . . . . . . . . . . . . A . 2 ASN H . . . . . . . . . rr_2dx4 1 . 3 . 617 . 1 1 2 ASN HA H 1.410 -4.784 5.586 . . . 1.0 . . . . . . . . . . . . A . 2 ASN HA . . . . . . . . . rr_2dx4 1 . 3 . 618 . 1 1 2 ASN HB2 H -0.904 -5.781 6.948 . . . 1.0 . . . . . . . . . . . . A . 2 ASN HB2 . . . . . . . . . rr_2dx4 1 . 3 . 619 . 1 1 2 ASN HB3 H -1.517 -4.808 5.626 . . . 1.0 . . . . . . . . . . . . A . 2 ASN HB3 . . . . . . . . . rr_2dx4 1 . 3 . 620 . 1 1 2 ASN HD21 H -0.819 -5.247 3.476 . . . 1.0 . . . . . . . . . . . . A . 2 ASN HD21 . . . . . . . . . rr_2dx4 1 . 3 . 621 . 1 1 2 ASN HD22 H -0.315 -6.835 3.001 . . . 1.0 . . . . . . . . . . . . A . 2 ASN HD22 . . . . . . . . . rr_2dx4 1 . 3 . 622 . 1 1 2 ASN N N 0.967 -4.314 7.513 . . . 1.0 . . . . . . . . . . . . A . 2 ASN N . . . . . . . . . rr_2dx4 1 . 3 . 623 . 1 1 2 ASN ND2 N -0.500 -6.163 3.719 . . . 1.0 . . . . . . . . . . . . A . 2 ASN ND2 . . . . . . . . . rr_2dx4 1 . 3 . 624 . 1 1 2 ASN O O -0.512 -2.265 6.385 . . . 1.0 . . . . . . . . . . . . A . 2 ASN O . . . . . . . . . rr_2dx4 1 . 3 . 625 . 1 1 2 ASN OD1 O 0.065 -7.583 5.374 . . . 1.0 . . . . . . . . . . . . A . 2 ASN OD1 . . . . . . . . . rr_2dx4 1 . 3 . 626 . 1 1 3 TYR C C 0.045 -1.563 2.266 . . . 1.0 . . . . . . . . . . . . A . 3 TYR C . . . . . . . . . rr_2dx4 1 . 3 . 627 . 1 1 3 TYR CA C 0.087 -1.463 3.792 . . . 1.0 . . . . . . . . . . . . A . 3 TYR CA . . . . . . . . . rr_2dx4 1 . 3 . 628 . 1 1 3 TYR CB C 1.196 -0.489 4.197 . . . 1.0 . . . . . . . . . . . . A . 3 TYR CB . . . . . . . . . rr_2dx4 1 . 3 . 629 . 1 1 3 TYR CD1 C 0.997 -0.200 6.693 . . . 1.0 . . . . . . . . . . . . A . 3 TYR CD1 . . . . . . . . . rr_2dx4 1 . 3 . 630 . 1 1 3 TYR CD2 C 2.898 -1.369 5.836 . . . 1.0 . . . . . . . . . . . . A . 3 TYR CD2 . . . . . . . . . rr_2dx4 1 . 3 . 631 . 1 1 3 TYR CE1 C 1.484 -0.392 8.035 . . . 1.0 . . . . . . . . . . . . A . 3 TYR CE1 . . . . . . . . . rr_2dx4 1 . 3 . 632 . 1 1 3 TYR CE2 C 3.385 -1.561 7.177 . . . 1.0 . . . . . . . . . . . . A . 3 TYR CE2 . . . . . . . . . rr_2dx4 1 . 3 . 633 . 1 1 3 TYR CG C 1.714 -0.693 5.622 . . . 1.0 . . . . . . . . . . . . A . 3 TYR CG . . . . . . . . . rr_2dx4 1 . 3 . 634 . 1 1 3 TYR CZ C 2.654 -1.063 8.211 . . . 1.0 . . . . . . . . . . . . A . 3 TYR CZ . . . . . . . . . rr_2dx4 1 . 3 . 635 . 1 1 3 TYR H H 0.940 -3.363 3.788 . . . 1.0 . . . . . . . . . . . . A . 3 TYR H . . . . . . . . . rr_2dx4 1 . 3 . 636 . 1 1 3 TYR HA H -0.900 -1.181 4.158 . . . 1.0 . . . . . . . . . . . . A . 3 TYR HA . . . . . . . . . rr_2dx4 1 . 3 . 637 . 1 1 3 TYR HB2 H 2.029 -0.593 3.500 . . . 1.0 . . . . . . . . . . . . A . 3 TYR HB2 . . . . . . . . . rr_2dx4 1 . 3 . 638 . 1 1 3 TYR HB3 H 0.824 0.531 4.098 . . . 1.0 . . . . . . . . . . . . A . 3 TYR HB3 . . . . . . . . . rr_2dx4 1 . 3 . 639 . 1 1 3 TYR HD1 H 0.062 0.334 6.524 . . . 1.0 . . . . . . . . . . . . A . 3 TYR HD1 . . . . . . . . . rr_2dx4 1 . 3 . 640 . 1 1 3 TYR HD2 H 3.464 -1.758 4.990 . . . 1.0 . . . . . . . . . . . . A . 3 TYR HD2 . . . . . . . . . rr_2dx4 1 . 3 . 641 . 1 1 3 TYR HE1 H 0.928 -0.008 8.890 . . . 1.0 . . . . . . . . . . . . A . 3 TYR HE1 . . . . . . . . . rr_2dx4 1 . 3 . 642 . 1 1 3 TYR HE2 H 4.319 -2.093 7.361 . . . 1.0 . . . . . . . . . . . . A . 3 TYR HE2 . . . . . . . . . rr_2dx4 1 . 3 . 643 . 1 1 3 TYR HH H 2.553 -0.726 10.123 . . . 1.0 . . . . . . . . . . . . A . 3 TYR HH . . . . . . . . . rr_2dx4 1 . 3 . 644 . 1 1 3 TYR N N 0.439 -2.740 4.389 . . . 1.0 . . . . . . . . . . . . A . 3 TYR N . . . . . . . . . rr_2dx4 1 . 3 . 645 . 1 1 3 TYR O O 0.219 -0.565 1.570 . . . 1.0 . . . . . . . . . . . . A . 3 TYR O . . . . . . . . . rr_2dx4 1 . 3 . 646 . 1 1 3 TYR OH O 3.114 -1.244 9.478 . . . 1.0 . . . . . . . . . . . . A . 3 TYR OH . . . . . . . . . rr_2dx4 1 . 3 . 647 . 1 1 4 TRP C C -1.254 -2.030 -0.241 . . . 1.0 . . . . . . . . . . . . A . 4 TRP C . . . . . . . . . rr_2dx4 1 . 3 . 648 . 1 1 4 TRP CA C -0.256 -3.022 0.361 . . . 1.0 . . . . . . . . . . . . A . 4 TRP CA . . . . . . . . . rr_2dx4 1 . 3 . 649 . 1 1 4 TRP CB C -0.614 -4.481 0.070 . . . 1.0 . . . . . . . . . . . . A . 4 TRP CB . . . . . . . . . rr_2dx4 1 . 3 . 650 . 1 1 4 TRP CD1 C 1.691 -4.819 -1.040 . . . 1.0 . . . . . . . . . . . . A . 4 TRP CD1 . . . . . . . . . rr_2dx4 1 . 3 . 651 . 1 1 4 TRP CD2 C 0.478 -6.672 -0.961 . . . 1.0 . . . . . . . . . . . . A . 4 TRP CD2 . . . . . . . . . rr_2dx4 1 . 3 . 652 . 1 1 4 TRP CE2 C 1.675 -6.988 -1.571 . . . 1.0 . . . . . . . . . . . . A . 4 TRP CE2 . . . . . . . . . rr_2dx4 1 . 3 . 653 . 1 1 4 TRP CE3 C -0.519 -7.641 -0.758 . . . 1.0 . . . . . . . . . . . . A . 4 TRP CE3 . . . . . . . . . rr_2dx4 1 . 3 . 654 . 1 1 4 TRP CG C 0.500 -5.269 -0.622 . . . 1.0 . . . . . . . . . . . . A . 4 TRP CG . . . . . . . . . rr_2dx4 1 . 3 . 655 . 1 1 4 TRP CH2 C 1.007 -9.256 -1.837 . . . 1.0 . . . . . . . . . . . . A . 4 TRP CH2 . . . . . . . . . rr_2dx4 1 . 3 . 656 . 1 1 4 TRP CZ2 C 1.986 -8.274 -2.029 . . . 1.0 . . . . . . . . . . . . A . 4 TRP CZ2 . . . . . . . . . rr_2dx4 1 . 3 . 657 . 1 1 4 TRP CZ3 C -0.193 -8.922 -1.221 . . . 1.0 . . . . . . . . . . . . A . 4 TRP CZ3 . . . . . . . . . rr_2dx4 1 . 3 . 658 . 1 1 4 TRP H H -0.330 -3.585 2.365 . . . 1.0 . . . . . . . . . . . . A . 4 TRP H . . . . . . . . . rr_2dx4 1 . 3 . 659 . 1 1 4 TRP HA H 0.737 -2.850 -0.054 . . . 1.0 . . . . . . . . . . . . A . 4 TRP HA . . . . . . . . . rr_2dx4 1 . 3 . 660 . 1 1 4 TRP HB2 H -0.867 -4.976 1.007 . . . 1.0 . . . . . . . . . . . . A . 4 TRP HB2 . . . . . . . . . rr_2dx4 1 . 3 . 661 . 1 1 4 TRP HB3 H -1.506 -4.508 -0.556 . . . 1.0 . . . . . . . . . . . . A . 4 TRP HB3 . . . . . . . . . rr_2dx4 1 . 3 . 662 . 1 1 4 TRP HD1 H 2.029 -3.789 -0.935 . . . 1.0 . . . . . . . . . . . . A . 4 TRP HD1 . . . . . . . . . rr_2dx4 1 . 3 . 663 . 1 1 4 TRP HE1 H 3.436 -5.727 -2.042 . . . 1.0 . . . . . . . . . . . . A . 4 TRP HE1 . . . . . . . . . rr_2dx4 1 . 3 . 664 . 1 1 4 TRP HE3 H -1.472 -7.417 -0.278 . . . 1.0 . . . . . . . . . . . . A . 4 TRP HE3 . . . . . . . . . rr_2dx4 1 . 3 . 665 . 1 1 4 TRP HH2 H 1.185 -10.279 -2.171 . . . 1.0 . . . . . . . . . . . . A . 4 TRP HH2 . . . . . . . . . rr_2dx4 1 . 3 . 666 . 1 1 4 TRP HZ2 H 2.938 -8.498 -2.509 . . . 1.0 . . . . . . . . . . . . A . 4 TRP HZ2 . . . . . . . . . rr_2dx4 1 . 3 . 667 . 1 1 4 TRP HZ3 H -0.932 -9.712 -1.088 . . . 1.0 . . . . . . . . . . . . A . 4 TRP HZ3 . . . . . . . . . rr_2dx4 1 . 3 . 668 . 1 1 4 TRP N N -0.189 -2.778 1.791 . . . 1.0 . . . . . . . . . . . . A . 4 TRP N . . . . . . . . . rr_2dx4 1 . 3 . 669 . 1 1 4 TRP NE1 N 2.436 -5.826 -1.621 . . . 1.0 . . . . . . . . . . . . A . 4 TRP NE1 . . . . . . . . . rr_2dx4 1 . 3 . 670 . 1 1 4 TRP O O -0.883 -1.192 -1.062 . . . 1.0 . . . . . . . . . . . . A . 4 TRP O . . . . . . . . . rr_2dx4 1 . 3 . 671 . 1 1 5 LEU C C -3.796 -1.561 -1.781 . . . 1.0 . . . . . . . . . . . . A . 5 LEU C . . . . . . . . . rr_2dx4 1 . 3 . 672 . 1 1 5 LEU CA C -3.554 -1.284 -0.297 . . . 1.0 . . . . . . . . . . . . A . 5 LEU CA . . . . . . . . . rr_2dx4 1 . 3 . 673 . 1 1 5 LEU CB C -3.221 0.178 0.010 . . . 1.0 . . . . . . . . . . . . A . 5 LEU CB . . . . . . . . . rr_2dx4 1 . 3 . 674 . 1 1 5 LEU CD1 C -5.010 1.765 0.809 . . . 1.0 . . . . . . . . . . . . A . 5 LEU CD1 . . . . . . . . . rr_2dx4 1 . 3 . 675 . 1 1 5 LEU CD2 C -3.645 2.316 -1.258 . . . 1.0 . . . . . . . . . . . . A . 5 LEU CD2 . . . . . . . . . rr_2dx4 1 . 3 . 676 . 1 1 5 LEU CG C -4.272 1.207 -0.410 . . . 1.0 . . . . . . . . . . . . A . 5 LEU CG . . . . . . . . . rr_2dx4 1 . 3 . 677 . 1 1 5 LEU H H -2.793 -2.842 0.858 . . . 1.0 . . . . . . . . . . . . A . 5 LEU H . . . . . . . . . rr_2dx4 1 . 3 . 678 . 1 1 5 LEU HA H -4.462 -1.529 0.254 . . . 1.0 . . . . . . . . . . . . A . 5 LEU HA . . . . . . . . . rr_2dx4 1 . 3 . 679 . 1 1 5 LEU HB2 H -3.054 0.275 1.083 . . . 1.0 . . . . . . . . . . . . A . 5 LEU HB2 . . . . . . . . . rr_2dx4 1 . 3 . 680 . 1 1 5 LEU HB3 H -2.280 0.426 -0.483 . . . 1.0 . . . . . . . . . . . . A . 5 LEU HB3 . . . . . . . . . rr_2dx4 1 . 3 . 681 . 1 1 5 LEU HD11 H -5.437 2.737 0.561 . . . 1.0 . . . . . . . . . . . . A . 5 LEU HD11 . . . . . . . . . rr_2dx4 1 . 3 . 682 . 1 1 5 LEU HD12 H -5.808 1.080 1.095 . . . 1.0 . . . . . . . . . . . . A . 5 LEU HD12 . . . . . . . . . rr_2dx4 1 . 3 . 683 . 1 1 5 LEU HD13 H -4.311 1.876 1.638 . . . 1.0 . . . . . . . . . . . . A . 5 LEU HD13 . . . . . . . . . rr_2dx4 1 . 3 . 684 . 1 1 5 LEU HD21 H -4.378 2.682 -1.977 . . . 1.0 . . . . . . . . . . . . A . 5 LEU HD21 . . . . . . . . . rr_2dx4 1 . 3 . 685 . 1 1 5 LEU HD22 H -3.332 3.136 -0.610 . . . 1.0 . . . . . . . . . . . . A . 5 LEU HD22 . . . . . . . . . rr_2dx4 1 . 3 . 686 . 1 1 5 LEU HD23 H -2.779 1.922 -1.789 . . . 1.0 . . . . . . . . . . . . A . 5 LEU HD23 . . . . . . . . . rr_2dx4 1 . 3 . 687 . 1 1 5 LEU HG H -5.012 0.705 -1.033 . . . 1.0 . . . . . . . . . . . . A . 5 LEU HG . . . . . . . . . rr_2dx4 1 . 3 . 688 . 1 1 5 LEU N N -2.500 -2.158 0.190 . . . 1.0 . . . . . . . . . . . . A . 5 LEU N . . . . . . . . . rr_2dx4 1 . 3 . 689 . 1 1 5 LEU O O -4.553 -2.465 -2.132 . . . 1.0 . . . . . . . . . . . . A . 5 LEU O . . . . . . . . . rr_2dx4 1 . 3 . 690 . 1 1 6 ALA C C -4.501 -0.135 -4.529 . . . 1.0 . . . . . . . . . . . . A . 6 ALA C . . . . . . . . . rr_2dx4 1 . 3 . 691 . 1 1 6 ALA CA C -3.274 -0.915 -4.053 . . . 1.0 . . . . . . . . . . . . A . 6 ALA CA . . . . . . . . . rr_2dx4 1 . 3 . 692 . 1 1 6 ALA CB C -3.354 -2.401 -4.408 . . . 1.0 . . . . . . . . . . . . A . 6 ALA CB . . . . . . . . . rr_2dx4 1 . 3 . 693 . 1 1 6 ALA H H -2.526 -0.033 -2.320 . . . 1.0 . . . . . . . . . . . . A . 6 ALA H . . . . . . . . . rr_2dx4 1 . 3 . 694 . 1 1 6 ALA HA H -2.382 -0.491 -4.515 . . . 1.0 . . . . . . . . . . . . A . 6 ALA HA . . . . . . . . . rr_2dx4 1 . 3 . 695 . 1 1 6 ALA HB1 H -2.749 -2.975 -3.706 . . . 1.0 . . . . . . . . . . . . A . 6 ALA HB1 . . . . . . . . . rr_2dx4 1 . 3 . 696 . 1 1 6 ALA HB2 H -4.391 -2.733 -4.350 . . . 1.0 . . . . . . . . . . . . A . 6 ALA HB2 . . . . . . . . . rr_2dx4 1 . 3 . 697 . 1 1 6 ALA HB3 H -2.980 -2.554 -5.420 . . . 1.0 . . . . . . . . . . . . A . 6 ALA HB3 . . . . . . . . . rr_2dx4 1 . 3 . 698 . 1 1 6 ALA N N -3.139 -0.767 -2.614 . . . 1.0 . . . . . . . . . . . . A . 6 ALA N . . . . . . . . . rr_2dx4 1 . 3 . 699 . 1 1 6 ALA O O -5.325 -0.662 -5.275 . . . 1.0 . . . . . . . . . . . . A . 6 ALA O . . . . . . . . . rr_2dx4 1 . 3 . 700 . 1 1 7 HIS C C -5.176 3.366 -4.783 . . . 1.0 . . . . . . . . . . . . A . 7 HIS C . . . . . . . . . rr_2dx4 1 . 3 . 701 . 1 1 7 HIS CA C -5.696 1.966 -4.450 . . . 1.0 . . . . . . . . . . . . A . 7 HIS CA . . . . . . . . . rr_2dx4 1 . 3 . 702 . 1 1 7 HIS CB C -6.764 1.976 -3.354 . . . 1.0 . . . . . . . . . . . . A . 7 HIS CB . . . . . . . . . rr_2dx4 1 . 3 . 703 . 1 1 7 HIS CD2 C -6.880 4.359 -2.286 . . . 1.0 . . . . . . . . . . . . A . 7 HIS CD2 . . . . . . . . . rr_2dx4 1 . 3 . 704 . 1 1 7 HIS CE1 C -8.764 5.012 -3.186 . . . 1.0 . . . . . . . . . . . . A . 7 HIS CE1 . . . . . . . . . rr_2dx4 1 . 3 . 705 . 1 1 7 HIS CG C -7.341 3.342 -3.070 . . . 1.0 . . . . . . . . . . . . A . 7 HIS CG . . . . . . . . . rr_2dx4 1 . 3 . 706 . 1 1 7 HIS H H -3.909 1.529 -3.472 . . . 1.0 . . . . . . . . . . . . A . 7 HIS H . . . . . . . . . rr_2dx4 1 . 3 . 707 . 1 1 7 HIS HA H -6.142 1.531 -5.344 . . . 1.0 . . . . . . . . . . . . A . 7 HIS HA . . . . . . . . . rr_2dx4 1 . 3 . 708 . 1 1 7 HIS HB2 H -7.572 1.304 -3.643 . . . 1.0 . . . . . . . . . . . . A . 7 HIS HB2 . . . . . . . . . rr_2dx4 1 . 3 . 709 . 1 1 7 HIS HB3 H -6.331 1.578 -2.436 . . . 1.0 . . . . . . . . . . . . A . 7 HIS HB3 . . . . . . . . . rr_2dx4 1 . 3 . 710 . 1 1 7 HIS HD1 H -9.113 3.263 -4.248 . . . 1.0 . . . . . . . . . . . . A . 7 HIS HD1 . . . . . . . . . rr_2dx4 1 . 3 . 711 . 1 1 7 HIS HD2 H -5.961 4.345 -1.700 . . . 1.0 . . . . . . . . . . . . A . 7 HIS HD2 . . . . . . . . . rr_2dx4 1 . 3 . 712 . 1 1 7 HIS HE1 H -9.625 5.630 -3.443 . . . 1.0 . . . . . . . . . . . . A . 7 HIS HE1 . . . . . . . . . rr_2dx4 1 . 3 . 713 . 1 1 7 HIS HE2 H -7.682 6.219 -1.839 . . . 1.0 . . . . . . . . . . . . A . 7 HIS HE2 . . . . . . . . . rr_2dx4 1 . 3 . 714 . 1 1 7 HIS N N -4.584 1.108 -4.079 . . . 1.0 . . . . . . . . . . . . A . 7 HIS N . . . . . . . . . rr_2dx4 1 . 3 . 715 . 1 1 7 HIS ND1 N -8.530 3.783 -3.624 . . . 1.0 . . . . . . . . . . . . A . 7 HIS ND1 . . . . . . . . . rr_2dx4 1 . 3 . 716 . 1 1 7 HIS NE2 N -7.741 5.367 -2.358 . . . 1.0 . . . . . . . . . . . . A . 7 HIS NE2 . . . . . . . . . rr_2dx4 1 . 3 . 717 . 1 1 7 HIS O O -3.991 3.648 -4.613 . . . 1.0 . . . . . . . . . . . . A . 7 HIS O . . . . . . . . . rr_2dx4 1 . 3 . 718 . 1 1 8 ALA C C -4.949 6.206 -4.463 . . . 1.0 . . . . . . . . . . . . A . 8 ALA C . . . . . . . . . rr_2dx4 1 . 3 . 719 . 1 1 8 ALA CA C -5.736 5.569 -5.610 . . . 1.0 . . . . . . . . . . . . A . 8 ALA CA . . . . . . . . . rr_2dx4 1 . 3 . 720 . 1 1 8 ALA CB C -7.006 6.351 -5.951 . . . 1.0 . . . . . . . . . . . . A . 8 ALA CB . . . . . . . . . rr_2dx4 1 . 3 . 721 . 1 1 8 ALA H H -7.050 3.967 -5.386 . . . 1.0 . . . . . . . . . . . . A . 8 ALA H . . . . . . . . . rr_2dx4 1 . 3 . 722 . 1 1 8 ALA HA H -5.102 5.526 -6.495 . . . 1.0 . . . . . . . . . . . . A . 8 ALA HA . . . . . . . . . rr_2dx4 1 . 3 . 723 . 1 1 8 ALA HB1 H -6.780 7.417 -5.978 . . . 1.0 . . . . . . . . . . . . A . 8 ALA HB1 . . . . . . . . . rr_2dx4 1 . 3 . 724 . 1 1 8 ALA HB2 H -7.377 6.034 -6.926 . . . 1.0 . . . . . . . . . . . . A . 8 ALA HB2 . . . . . . . . . rr_2dx4 1 . 3 . 725 . 1 1 8 ALA HB3 H -7.766 6.159 -5.194 . . . 1.0 . . . . . . . . . . . . A . 8 ALA HB3 . . . . . . . . . rr_2dx4 1 . 3 . 726 . 1 1 8 ALA N N -6.088 4.205 -5.251 . . . 1.0 . . . . . . . . . . . . A . 8 ALA N . . . . . . . . . rr_2dx4 1 . 3 . 727 . 1 1 8 ALA O O -3.739 6.017 -4.356 . . . 1.0 . . . . . . . . . . . . A . 8 ALA O . . . . . . . . . rr_2dx4 1 . 3 . 728 . 1 1 9 LYS C C -3.722 8.228 -2.935 . . . 1.0 . . . . . . . . . . . . A . 9 LYS C . . . . . . . . . rr_2dx4 1 . 3 . 729 . 1 1 9 LYS CA C -5.054 7.615 -2.500 . . . 1.0 . . . . . . . . . . . . A . 9 LYS CA . . . . . . . . . rr_2dx4 1 . 3 . 730 . 1 1 9 LYS CB C -4.930 6.653 -1.316 . . . 1.0 . . . . . . . . . . . . A . 9 LYS CB . . . . . . . . . rr_2dx4 1 . 3 . 731 . 1 1 9 LYS CD C -5.463 7.745 0.894 . . . 1.0 . . . . . . . . . . . . A . 9 LYS CD . . . . . . . . . rr_2dx4 1 . 3 . 732 . 1 1 9 LYS CE C -5.441 6.835 2.124 . . . 1.0 . . . . . . . . . . . . A . 9 LYS CE . . . . . . . . . rr_2dx4 1 . 3 . 733 . 1 1 9 LYS CG C -4.355 7.364 -0.090 . . . 1.0 . . . . . . . . . . . . A . 9 LYS CG . . . . . . . . . rr_2dx4 1 . 3 . 734 . 1 1 9 LYS H H -6.654 7.097 -3.729 . . . 1.0 . . . . . . . . . . . . A . 9 LYS H . . . . . . . . . rr_2dx4 1 . 3 . 735 . 1 1 9 LYS HA H -5.721 8.420 -2.193 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HA . . . . . . . . . rr_2dx4 1 . 3 . 736 . 1 1 9 LYS HB2 H -5.909 6.239 -1.075 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HB2 . . . . . . . . . rr_2dx4 1 . 3 . 737 . 1 1 9 LYS HB3 H -4.289 5.815 -1.589 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HB3 . . . . . . . . . rr_2dx4 1 . 3 . 738 . 1 1 9 LYS HD2 H -5.340 8.783 1.203 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HD2 . . . . . . . . . rr_2dx4 1 . 3 . 739 . 1 1 9 LYS HD3 H -6.433 7.673 0.401 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HD3 . . . . . . . . . rr_2dx4 1 . 3 . 740 . 1 1 9 LYS HE2 H -6.372 6.271 2.182 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HE2 . . . . . . . . . rr_2dx4 1 . 3 . 741 . 1 1 9 LYS HE3 H -4.633 6.109 2.032 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HE3 . . . . . . . . . rr_2dx4 1 . 3 . 742 . 1 1 9 LYS HG2 H -3.632 6.716 0.405 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HG2 . . . . . . . . . rr_2dx4 1 . 3 . 743 . 1 1 9 LYS HG3 H -3.818 8.260 -0.403 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HG3 . . . . . . . . . rr_2dx4 1 . 3 . 744 . 1 1 9 LYS HZ1 H -4.286 7.696 3.573 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HZ1 . . . . . . . . . rr_2dx4 1 . 3 . 745 . 1 1 9 LYS HZ2 H -5.630 8.553 3.215 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HZ2 . . . . . . . . . rr_2dx4 1 . 3 . 746 . 1 1 9 LYS HZ3 H -5.742 7.193 4.113 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HZ3 . . . . . . . . . rr_2dx4 1 . 3 . 747 . 1 1 9 LYS N N -5.669 6.948 -3.635 . . . 1.0 . . . . . . . . . . . . A . 9 LYS N . . . . . . . . . rr_2dx4 1 . 3 . 748 . 1 1 9 LYS NZ N -5.260 7.634 3.356 . . . 1.0 . . . . . . . . . . . . A . 9 LYS NZ . . . . . . . . . rr_2dx4 1 . 3 . 749 . 1 1 9 LYS O O -2.703 8.043 -2.272 . . . 1.0 . . . . . . . . . . . . A . 9 LYS O . . . . . . . . . rr_2dx4 1 . 3 . 750 . 1 1 10 ALA C C -1.603 8.516 -5.061 . . . 1.0 . . . . . . . . . . . . A . 10 ALA C . . . . . . . . . rr_2dx4 1 . 3 . 751 . 1 1 10 ALA CA C -2.583 9.588 -4.580 . . . 1.0 . . . . . . . . . . . . A . 10 ALA CA . . . . . . . . . rr_2dx4 1 . 3 . 752 . 1 1 10 ALA CB C -1.973 10.498 -3.512 . . . 1.0 . . . . . . . . . . . . A . 10 ALA CB . . . . . . . . . rr_2dx4 1 . 3 . 753 . 1 1 10 ALA H H -4.606 9.091 -4.582 . . . 1.0 . . . . . . . . . . . . A . 10 ALA H . . . . . . . . . rr_2dx4 1 . 3 . 754 . 1 1 10 ALA HA H -2.887 10.199 -5.430 . . . 1.0 . . . . . . . . . . . . A . 10 ALA HA . . . . . . . . . rr_2dx4 1 . 3 . 755 . 1 1 10 ALA HB1 H -0.964 10.158 -3.278 . . . 1.0 . . . . . . . . . . . . A . 10 ALA HB1 . . . . . . . . . rr_2dx4 1 . 3 . 756 . 1 1 10 ALA HB2 H -1.934 11.521 -3.886 . . . 1.0 . . . . . . . . . . . . A . 10 ALA HB2 . . . . . . . . . rr_2dx4 1 . 3 . 757 . 1 1 10 ALA HB3 H -2.586 10.464 -2.612 . . . 1.0 . . . . . . . . . . . . A . 10 ALA HB3 . . . . . . . . . rr_2dx4 1 . 3 . 758 . 1 1 10 ALA N N -3.773 8.946 -4.048 . . . 1.0 . . . . . . . . . . . . A . 10 ALA N . . . . . . . . . rr_2dx4 1 . 3 . 759 . 1 1 10 ALA O O -0.410 8.583 -4.767 . . . 1.0 . . . . . . . . . . . . A . 10 ALA O . . . . . . . . . rr_2dx4 1 . 3 . 760 . 1 1 11 GLY C C -0.635 5.706 -5.188 . . . 1.0 . . . . . . . . . . . . A . 11 GLY C . . . . . . . . . rr_2dx4 1 . 3 . 761 . 1 1 11 GLY CA C -1.330 6.468 -6.318 . . . 1.0 . . . . . . . . . . . . A . 11 GLY CA . . . . . . . . . rr_2dx4 1 . 3 . 762 . 1 1 11 GLY H H -3.113 7.505 -6.028 . . . 1.0 . . . . . . . . . . . . A . 11 GLY H . . . . . . . . . rr_2dx4 1 . 3 . 763 . 1 1 11 GLY HA2 H -1.956 5.784 -6.891 . . . 1.0 . . . . . . . . . . . . A . 11 GLY HA2 . . . . . . . . . rr_2dx4 1 . 3 . 764 . 1 1 11 GLY HA3 H -0.583 6.868 -7.005 . . . 1.0 . . . . . . . . . . . . A . 11 GLY HA3 . . . . . . . . . rr_2dx4 1 . 3 . 765 . 1 1 11 GLY N N -2.142 7.553 -5.793 . . . 1.0 . . . . . . . . . . . . A . 11 GLY N . . . . . . . . . rr_2dx4 1 . 3 . 766 . 1 1 11 GLY O O 0.453 5.164 -5.377 . . . 1.0 . . . . . . . . . . . . A . 11 GLY O . . . . . . . . . rr_2dx4 1 . 3 . 767 . 1 1 12 TYR C C -0.375 3.561 -3.219 . . . 1.0 . . . . . . . . . . . . A . 12 TYR C . . . . . . . . . rr_2dx4 1 . 3 . 768 . 1 1 12 TYR CA C -0.751 5.004 -2.877 . . . 1.0 . . . . . . . . . . . . A . 12 TYR CA . . . . . . . . . rr_2dx4 1 . 3 . 769 . 1 1 12 TYR CB C -1.871 4.993 -1.834 . . . 1.0 . . . . . . . . . . . . A . 12 TYR CB . . . . . . . . . rr_2dx4 1 . 3 . 770 . 1 1 12 TYR CD1 C -1.044 3.309 -0.149 . . . 1.0 . . . . . . . . . . . . A . 12 TYR CD1 . . . . . . . . . rr_2dx4 1 . 3 . 771 . 1 1 12 TYR CD2 C -1.352 5.569 0.565 . . . 1.0 . . . . . . . . . . . . A . 12 TYR CD2 . . . . . . . . . rr_2dx4 1 . 3 . 772 . 1 1 12 TYR CE1 C -0.607 2.950 1.175 . . . 1.0 . . . . . . . . . . . . A . 12 TYR CE1 . . . . . . . . . rr_2dx4 1 . 3 . 773 . 1 1 12 TYR CE2 C -0.915 5.210 1.890 . . . 1.0 . . . . . . . . . . . . A . 12 TYR CE2 . . . . . . . . . rr_2dx4 1 . 3 . 774 . 1 1 12 TYR CG C -1.407 4.611 -0.427 . . . 1.0 . . . . . . . . . . . . A . 12 TYR CG . . . . . . . . . rr_2dx4 1 . 3 . 775 . 1 1 12 TYR CZ C -0.564 3.918 2.129 . . . 1.0 . . . . . . . . . . . . A . 12 TYR CZ . . . . . . . . . rr_2dx4 1 . 3 . 776 . 1 1 12 TYR H H -2.176 6.134 -3.892 . . . 1.0 . . . . . . . . . . . . A . 12 TYR H . . . . . . . . . rr_2dx4 1 . 3 . 777 . 1 1 12 TYR HA H 0.143 5.538 -2.556 . . . 1.0 . . . . . . . . . . . . A . 12 TYR HA . . . . . . . . . rr_2dx4 1 . 3 . 778 . 1 1 12 TYR HB2 H -2.330 5.981 -1.798 . . . 1.0 . . . . . . . . . . . . A . 12 TYR HB2 . . . . . . . . . rr_2dx4 1 . 3 . 779 . 1 1 12 TYR HB3 H -2.644 4.293 -2.153 . . . 1.0 . . . . . . . . . . . . A . 12 TYR HB3 . . . . . . . . . rr_2dx4 1 . 3 . 780 . 1 1 12 TYR HD1 H -1.087 2.552 -0.933 . . . 1.0 . . . . . . . . . . . . A . 12 TYR HD1 . . . . . . . . . rr_2dx4 1 . 3 . 781 . 1 1 12 TYR HD2 H -1.639 6.598 0.346 . . . 1.0 . . . . . . . . . . . . A . 12 TYR HD2 . . . . . . . . . rr_2dx4 1 . 3 . 782 . 1 1 12 TYR HE1 H -0.317 1.925 1.407 . . . 1.0 . . . . . . . . . . . . A . 12 TYR HE1 . . . . . . . . . rr_2dx4 1 . 3 . 783 . 1 1 12 TYR HE2 H -0.867 5.956 2.682 . . . 1.0 . . . . . . . . . . . . A . 12 TYR HE2 . . . . . . . . . rr_2dx4 1 . 3 . 784 . 1 1 12 TYR HH H 0.217 4.381 3.848 . . . 1.0 . . . . . . . . . . . . A . 12 TYR HH . . . . . . . . . rr_2dx4 1 . 3 . 785 . 1 1 12 TYR N N -1.292 5.690 -4.038 . . . 1.0 . . . . . . . . . . . . A . 12 TYR N . . . . . . . . . rr_2dx4 1 . 3 . 786 . 1 1 12 TYR O O 0.402 2.931 -2.502 . . . 1.0 . . . . . . . . . . . . A . 12 TYR O . . . . . . . . . rr_2dx4 1 . 3 . 787 . 1 1 12 TYR OH O -0.152 3.578 3.380 . . . 1.0 . . . . . . . . . . . . A . 12 TYR OH . . . . . . . . . rr_2dx4 1 . 3 . 788 . 1 1 13 ILE C C 0.822 1.437 -4.647 . . . 1.0 . . . . . . . . . . . . A . 13 ILE C . . . . . . . . . rr_2dx4 1 . 3 . 789 . 1 1 13 ILE CA C -0.677 1.721 -4.760 . . . 1.0 . . . . . . . . . . . . A . 13 ILE CA . . . . . . . . . rr_2dx4 1 . 3 . 790 . 1 1 13 ILE CB C -1.241 1.499 -6.164 . . . 1.0 . . . . . . . . . . . . A . 13 ILE CB . . . . . . . . . rr_2dx4 1 . 3 . 791 . 1 1 13 ILE CD1 C 0.735 0.329 -7.207 . . . 1.0 . . . . . . . . . . . . A . 13 ILE CD1 . . . . . . . . . rr_2dx4 1 . 3 . 792 . 1 1 13 ILE CG1 C -0.722 0.189 -6.762 . . . 1.0 . . . . . . . . . . . . A . 13 ILE CG1 . . . . . . . . . rr_2dx4 1 . 3 . 793 . 1 1 13 ILE CG2 C -0.949 2.697 -7.069 . . . 1.0 . . . . . . . . . . . . A . 13 ILE CG2 . . . . . . . . . rr_2dx4 1 . 3 . 794 . 1 1 13 ILE H H -1.574 3.597 -4.891 . . . 1.0 . . . . . . . . . . . . A . 13 ILE H . . . . . . . . . rr_2dx4 1 . 3 . 795 . 1 1 13 ILE HA H -1.208 1.047 -4.088 . . . 1.0 . . . . . . . . . . . . A . 13 ILE HA . . . . . . . . . rr_2dx4 1 . 3 . 796 . 1 1 13 ILE HB H -2.325 1.410 -6.087 . . . 1.0 . . . . . . . . . . . . A . 13 ILE HB . . . . . . . . . rr_2dx4 1 . 3 . 797 . 1 1 13 ILE HD11 H 1.369 -0.292 -6.574 . . . 1.0 . . . . . . . . . . . . A . 13 ILE HD11 . . . . . . . . . rr_2dx4 1 . 3 . 798 . 1 1 13 ILE HD12 H 0.831 0.009 -8.244 . . . 1.0 . . . . . . . . . . . . A . 13 ILE HD12 . . . . . . . . . rr_2dx4 1 . 3 . 799 . 1 1 13 ILE HD13 H 1.044 1.371 -7.118 . . . 1.0 . . . . . . . . . . . . A . 13 ILE HD13 . . . . . . . . . rr_2dx4 1 . 3 . 800 . 1 1 13 ILE HG12 H -0.806 -0.610 -6.026 . . . 1.0 . . . . . . . . . . . . A . 13 ILE HG12 . . . . . . . . . rr_2dx4 1 . 3 . 801 . 1 1 13 ILE HG13 H -1.340 -0.096 -7.614 . . . 1.0 . . . . . . . . . . . . A . 13 ILE HG13 . . . . . . . . . rr_2dx4 1 . 3 . 802 . 1 1 13 ILE HG21 H -1.739 3.440 -6.954 . . . 1.0 . . . . . . . . . . . . A . 13 ILE HG21 . . . . . . . . . rr_2dx4 1 . 3 . 803 . 1 1 13 ILE HG22 H 0.008 3.139 -6.790 . . . 1.0 . . . . . . . . . . . . A . 13 ILE HG22 . . . . . . . . . rr_2dx4 1 . 3 . 804 . 1 1 13 ILE HG23 H -0.909 2.368 -8.107 . . . 1.0 . . . . . . . . . . . . A . 13 ILE HG23 . . . . . . . . . rr_2dx4 1 . 3 . 805 . 1 1 13 ILE N N -0.943 3.079 -4.314 . . . 1.0 . . . . . . . . . . . . A . 13 ILE N . . . . . . . . . rr_2dx4 1 . 3 . 806 . 1 1 13 ILE O O 1.642 2.192 -5.167 . . . 1.0 . . . . . . . . . . . . A . 13 ILE O . . . . . . . . . rr_2dx4 1 . 3 . 807 . 1 1 14 VAL C C 2.608 -1.574 -3.708 . . . 1.0 . . . . . . . . . . . . A . 14 VAL C . . . . . . . . . rr_2dx4 1 . 3 . 808 . 1 1 14 VAL CA C 2.521 -0.048 -3.776 . . . 1.0 . . . . . . . . . . . . A . 14 VAL CA . . . . . . . . . rr_2dx4 1 . 3 . 809 . 1 1 14 VAL CB C 3.096 0.639 -2.536 . . . 1.0 . . . . . . . . . . . . A . 14 VAL CB . . . . . . . . . rr_2dx4 1 . 3 . 810 . 1 1 14 VAL CG1 C 2.770 -0.153 -1.268 . . . 1.0 . . . . . . . . . . . . A . 14 VAL CG1 . . . . . . . . . rr_2dx4 1 . 3 . 811 . 1 1 14 VAL CG2 C 4.605 0.851 -2.677 . . . 1.0 . . . . . . . . . . . . A . 14 VAL CG2 . . . . . . . . . rr_2dx4 1 . 3 . 812 . 1 1 14 VAL H H 0.462 -0.263 -3.543 . . . 1.0 . . . . . . . . . . . . A . 14 VAL H . . . . . . . . . rr_2dx4 1 . 3 . 813 . 1 1 14 VAL HA H 3.081 0.297 -4.644 . . . 1.0 . . . . . . . . . . . . A . 14 VAL HA . . . . . . . . . rr_2dx4 1 . 3 . 814 . 1 1 14 VAL HB H 2.628 1.620 -2.448 . . . 1.0 . . . . . . . . . . . . A . 14 VAL HB . . . . . . . . . rr_2dx4 1 . 3 . 815 . 1 1 14 VAL HG11 H 1.883 -0.763 -1.440 . . . 1.0 . . . . . . . . . . . . A . 14 VAL HG11 . . . . . . . . . rr_2dx4 1 . 3 . 816 . 1 1 14 VAL HG12 H 3.612 -0.798 -1.016 . . . 1.0 . . . . . . . . . . . . A . 14 VAL HG12 . . . . . . . . . rr_2dx4 1 . 3 . 817 . 1 1 14 VAL HG13 H 2.582 0.538 -0.446 . . . 1.0 . . . . . . . . . . . . A . 14 VAL HG13 . . . . . . . . . rr_2dx4 1 . 3 . 818 . 1 1 14 VAL HG21 H 4.903 0.667 -3.709 . . . 1.0 . . . . . . . . . . . . A . 14 VAL HG21 . . . . . . . . . rr_2dx4 1 . 3 . 819 . 1 1 14 VAL HG22 H 4.856 1.876 -2.404 . . . 1.0 . . . . . . . . . . . . A . 14 VAL HG22 . . . . . . . . . rr_2dx4 1 . 3 . 820 . 1 1 14 VAL HG23 H 5.132 0.160 -2.019 . . . 1.0 . . . . . . . . . . . . A . 14 VAL HG23 . . . . . . . . . rr_2dx4 1 . 3 . 821 . 1 1 14 VAL N N 1.135 0.346 -3.963 . . . 1.0 . . . . . . . . . . . . A . 14 VAL N . . . . . . . . . rr_2dx4 1 . 3 . 822 . 1 1 14 VAL O O 1.689 -2.272 -4.134 . . . 1.0 . . . . . . . . . . . . A . 14 VAL O . . . . . . . . . rr_2dx4 1 . 3 . 823 . 1 1 15 HIS C C 4.929 -3.745 -1.902 . . . 1.0 . . . . . . . . . . . . A . 15 HIS C . . . . . . . . . rr_2dx4 1 . 3 . 824 . 1 1 15 HIS CA C 3.942 -3.478 -3.040 . . . 1.0 . . . . . . . . . . . . A . 15 HIS CA . . . . . . . . . rr_2dx4 1 . 3 . 825 . 1 1 15 HIS CB C 4.394 -4.081 -4.371 . . . 1.0 . . . . . . . . . . . . A . 15 HIS CB . . . . . . . . . rr_2dx4 1 . 3 . 826 . 1 1 15 HIS CD2 C 2.540 -3.559 -6.138 . . . 1.0 . . . . . . . . . . . . A . 15 HIS CD2 . . . . . . . . . rr_2dx4 1 . 3 . 827 . 1 1 15 HIS CE1 C 3.657 -2.117 -7.346 . . . 1.0 . . . . . . . . . . . . A . 15 HIS CE1 . . . . . . . . . rr_2dx4 1 . 3 . 828 . 1 1 15 HIS CG C 3.779 -3.424 -5.584 . . . 1.0 . . . . . . . . . . . . A . 15 HIS CG . . . . . . . . . rr_2dx4 1 . 3 . 829 . 1 1 15 HIS H H 4.465 -1.473 -2.825 . . . 1.0 . . . . . . . . . . . . A . 15 HIS H . . . . . . . . . rr_2dx4 1 . 3 . 830 . 1 1 15 HIS HA H 2.979 -3.921 -2.785 . . . 1.0 . . . . . . . . . . . . A . 15 HIS HA . . . . . . . . . rr_2dx4 1 . 3 . 831 . 1 1 15 HIS HB2 H 5.480 -4.006 -4.442 . . . 1.0 . . . . . . . . . . . . A . 15 HIS HB2 . . . . . . . . . rr_2dx4 1 . 3 . 832 . 1 1 15 HIS HB3 H 4.147 -5.142 -4.381 . . . 1.0 . . . . . . . . . . . . A . 15 HIS HB3 . . . . . . . . . rr_2dx4 1 . 3 . 833 . 1 1 15 HIS HD1 H 5.398 -2.196 -6.220 . . . 1.0 . . . . . . . . . . . . A . 15 HIS HD1 . . . . . . . . . rr_2dx4 1 . 3 . 834 . 1 1 15 HIS HD2 H 1.745 -4.207 -5.770 . . . 1.0 . . . . . . . . . . . . A . 15 HIS HD2 . . . . . . . . . rr_2dx4 1 . 3 . 835 . 1 1 15 HIS HE1 H 3.904 -1.400 -8.129 . . . 1.0 . . . . . . . . . . . . A . 15 HIS HE1 . . . . . . . . . rr_2dx4 1 . 3 . 836 . 1 1 15 HIS HE2 H 1.693 -2.711 -7.832 . . . 1.0 . . . . . . . . . . . . A . 15 HIS HE2 . . . . . . . . . rr_2dx4 1 . 3 . 837 . 1 1 15 HIS N N 3.722 -2.048 -3.169 . . . 1.0 . . . . . . . . . . . . A . 15 HIS N . . . . . . . . . rr_2dx4 1 . 3 . 838 . 1 1 15 HIS ND1 N 4.460 -2.508 -6.367 . . . 1.0 . . . . . . . . . . . . A . 15 HIS ND1 . . . . . . . . . rr_2dx4 1 . 3 . 839 . 1 1 15 HIS NE2 N 2.468 -2.769 -7.202 . . . 1.0 . . . . . . . . . . . . A . 15 HIS NE2 . . . . . . . . . rr_2dx4 1 . 3 . 840 . 1 1 15 HIS O O 5.965 -4.374 -2.109 . . . 1.0 . . . . . . . . . . . . A . 15 HIS O . . . . . . . . . rr_2dx4 1 . 3 . 841 . 1 1 16 TRP C C 5.212 -4.859 0.962 . . . 1.0 . . . . . . . . . . . . A . 16 TRP C . . . . . . . . . rr_2dx4 1 . 3 . 842 . 1 1 16 TRP CA C 5.413 -3.432 0.447 . . . 1.0 . . . . . . . . . . . . A . 16 TRP CA . . . . . . . . . rr_2dx4 1 . 3 . 843 . 1 1 16 TRP CB C 5.114 -2.367 1.504 . . . 1.0 . . . . . . . . . . . . A . 16 TRP CB . . . . . . . . . rr_2dx4 1 . 3 . 844 . 1 1 16 TRP CD1 C 4.308 0.042 1.051 . . . 1.0 . . . . . . . . . . . . A . 16 TRP CD1 . . . . . . . . . rr_2dx4 1 . 3 . 845 . 1 1 16 TRP CD2 C 6.367 -0.341 0.329 . . . 1.0 . . . . . . . . . . . . A . 16 TRP CD2 . . . . . . . . . rr_2dx4 1 . 3 . 846 . 1 1 16 TRP CE2 C 6.061 0.971 0.028 . . . 1.0 . . . . . . . . . . . . A . 16 TRP CE2 . . . . . . . . . rr_2dx4 1 . 3 . 847 . 1 1 16 TRP CE3 C 7.614 -0.897 -0.003 . . . 1.0 . . . . . . . . . . . . A . 16 TRP CE3 . . . . . . . . . rr_2dx4 1 . 3 . 848 . 1 1 16 TRP CG C 5.227 -0.931 0.990 . . . 1.0 . . . . . . . . . . . . A . 16 TRP CG . . . . . . . . . rr_2dx4 1 . 3 . 849 . 1 1 16 TRP CH2 C 8.201 1.303 -0.960 . . . 1.0 . . . . . . . . . . . . A . 16 TRP CH2 . . . . . . . . . rr_2dx4 1 . 3 . 850 . 1 1 16 TRP CZ2 C 6.951 1.836 -0.620 . . . 1.0 . . . . . . . . . . . . A . 16 TRP CZ2 . . . . . . . . . rr_2dx4 1 . 3 . 851 . 1 1 16 TRP CZ3 C 8.493 -0.020 -0.650 . . . 1.0 . . . . . . . . . . . . A . 16 TRP CZ3 . . . . . . . . . rr_2dx4 1 . 3 . 852 . 1 1 16 TRP H H 3.727 -2.744 -0.564 . . . 1.0 . . . . . . . . . . . . A . 16 TRP H . . . . . . . . . rr_2dx4 1 . 3 . 853 . 1 1 16 TRP HA H 6.449 -3.290 0.138 . . . 1.0 . . . . . . . . . . . . A . 16 TRP HA . . . . . . . . . rr_2dx4 1 . 3 . 854 . 1 1 16 TRP HB2 H 4.107 -2.526 1.890 . . . 1.0 . . . . . . . . . . . . A . 16 TRP HB2 . . . . . . . . . rr_2dx4 1 . 3 . 855 . 1 1 16 TRP HB3 H 5.800 -2.498 2.341 . . . 1.0 . . . . . . . . . . . . A . 16 TRP HB3 . . . . . . . . . rr_2dx4 1 . 3 . 856 . 1 1 16 TRP HD1 H 3.319 -0.075 1.496 . . . 1.0 . . . . . . . . . . . . A . 16 TRP HD1 . . . . . . . . . rr_2dx4 1 . 3 . 857 . 1 1 16 TRP HE1 H 4.222 2.150 0.400 . . . 1.0 . . . . . . . . . . . . A . 16 TRP HE1 . . . . . . . . . rr_2dx4 1 . 3 . 858 . 1 1 16 TRP HE3 H 7.880 -1.930 0.224 . . . 1.0 . . . . . . . . . . . . A . 16 TRP HE3 . . . . . . . . . rr_2dx4 1 . 3 . 859 . 1 1 16 TRP HH2 H 8.941 1.923 -1.466 . . . 1.0 . . . . . . . . . . . . A . 16 TRP HH2 . . . . . . . . . rr_2dx4 1 . 3 . 860 . 1 1 16 TRP HZ2 H 6.686 2.868 -0.847 . . . 1.0 . . . . . . . . . . . . A . 16 TRP HZ2 . . . . . . . . . rr_2dx4 1 . 3 . 861 . 1 1 16 TRP HZ3 H 9.475 -0.401 -0.929 . . . 1.0 . . . . . . . . . . . . A . 16 TRP HZ3 . . . . . . . . . rr_2dx4 1 . 3 . 862 . 1 1 16 TRP N N 4.572 -3.254 -0.724 . . . 1.0 . . . . . . . . . . . . A . 16 TRP N . . . . . . . . . rr_2dx4 1 . 3 . 863 . 1 1 16 TRP NE1 N 4.769 1.211 0.481 . . . 1.0 . . . . . . . . . . . . A . 16 TRP NE1 . . . . . . . . . rr_2dx4 1 . 3 . 864 . 1 1 16 TRP O O 4.744 -5.727 0.227 . . . 1.0 . . . . . . . . . . . . A . 16 TRP O . . . . . . . . . rr_2dx4 1 . 3 . 865 . 1 1 17 THR C C 5.280 -6.219 4.357 . . . 1.0 . . . . . . . . . . . . A . 17 THR C . . . . . . . . . rr_2dx4 1 . 3 . 866 . 1 1 17 THR CA C 5.441 -6.363 2.842 . . . 1.0 . . . . . . . . . . . . A . 17 THR CA . . . . . . . . . rr_2dx4 1 . 3 . 867 . 1 1 17 THR CB C 6.651 -7.207 2.436 . . . 1.0 . . . . . . . . . . . . A . 17 THR CB . . . . . . . . . rr_2dx4 1 . 3 . 868 . 1 1 17 THR CG2 C 6.660 -7.537 0.942 . . . 1.0 . . . . . . . . . . . . A . 17 THR CG2 . . . . . . . . . rr_2dx4 1 . 3 . 869 . 1 1 17 THR H H 5.955 -4.345 2.811 . . . 1.0 . . . . . . . . . . . . A . 17 THR H . . . . . . . . . rr_2dx4 1 . 3 . 870 . 1 1 17 THR HA H 4.530 -6.829 2.467 . . . 1.0 . . . . . . . . . . . . A . 17 THR HA . . . . . . . . . rr_2dx4 1 . 3 . 871 . 1 1 17 THR HB H 6.711 -8.115 3.036 . . . 1.0 . . . . . . . . . . . . A . 17 THR HB . . . . . . . . . rr_2dx4 1 . 3 . 872 . 1 1 17 THR HG1 H 7.729 -5.603 1.916 . . . 1.0 . . . . . . . . . . . . A . 17 THR HG1 . . . . . . . . . rr_2dx4 1 . 3 . 873 . 1 1 17 THR HG21 H 6.750 -6.615 0.367 . . . 1.0 . . . . . . . . . . . . A . 17 THR HG21 . . . . . . . . . rr_2dx4 1 . 3 . 874 . 1 1 17 THR HG22 H 7.505 -8.188 0.720 . . . 1.0 . . . . . . . . . . . . A . 17 THR HG22 . . . . . . . . . rr_2dx4 1 . 3 . 875 . 1 1 17 THR HG23 H 5.732 -8.042 0.676 . . . 1.0 . . . . . . . . . . . . A . 17 THR HG23 . . . . . . . . . rr_2dx4 1 . 3 . 876 . 1 1 17 THR N N 5.576 -5.056 2.220 . . . 1.0 . . . . . . . . . . . . A . 17 THR N . . . . . . . . . rr_2dx4 1 . 3 . 877 . 1 1 17 THR O O 5.567 -5.162 4.917 . . . 1.0 . . . . . . . . . . . . A . 17 THR O . . . . . . . . . rr_2dx4 1 . 3 . 878 . 1 1 17 THR OG1 O 7.759 -6.327 2.604 . . . 1.0 . . . . . . . . . . . . A . 17 THR OG1 . . . . . . . . . rr_2dx4 1 . 3 . 879 . 1 1 18 ALA C C 5.944 -7.640 7.109 . . . 1.0 . . . . . . . . . . . . A . 18 ALA C . . . . . . . . . rr_2dx4 1 . 3 . 880 . 1 1 18 ALA CA C 4.622 -7.304 6.415 . . . 1.0 . . . . . . . . . . . . A . 18 ALA CA . . . . . . . . . rr_2dx4 1 . 3 . 881 . 1 1 18 ALA CB C 3.510 -8.293 6.770 . . . 1.0 . . . . . . . . . . . . A . 18 ALA CB . . . . . . . . . rr_2dx4 1 . 3 . 882 . 1 1 18 ALA H H 4.594 -8.153 4.513 . . . 1.0 . . . . . . . . . . . . A . 18 ALA H . . . . . . . . . rr_2dx4 1 . 3 . 883 . 1 1 18 ALA HA H 4.310 -6.303 6.712 . . . 1.0 . . . . . . . . . . . . A . 18 ALA HA . . . . . . . . . rr_2dx4 1 . 3 . 884 . 1 1 18 ALA HB1 H 2.675 -7.755 7.219 . . . 1.0 . . . . . . . . . . . . A . 18 ALA HB1 . . . . . . . . . rr_2dx4 1 . 3 . 885 . 1 1 18 ALA HB2 H 3.172 -8.799 5.866 . . . 1.0 . . . . . . . . . . . . A . 18 ALA HB2 . . . . . . . . . rr_2dx4 1 . 3 . 886 . 1 1 18 ALA HB3 H 3.890 -9.029 7.478 . . . 1.0 . . . . . . . . . . . . A . 18 ALA HB3 . . . . . . . . . rr_2dx4 1 . 3 . 887 . 1 1 18 ALA N N 4.824 -7.297 4.976 . . . 1.0 . . . . . . . . . . . . A . 18 ALA N . . . . . . . . . rr_2dx4 1 . 3 . 888 . 1 1 18 ALA O O 5.965 -8.396 8.079 . . . 1.0 . . . . . . . . . . . . A . 18 ALA O . . . . . . . . . rr_2dx4 1 . 4 . 889 . 1 1 1 ILE C C 2.763 -3.441 8.249 . . . 1.0 . . . . . . . . . . . . A . 1 ILE C . . . . . . . . . rr_2dx4 1 . 4 . 890 . 1 1 1 ILE CA C 2.889 -4.309 9.503 . . . 1.0 . . . . . . . . . . . . A . 1 ILE CA . . . . . . . . . rr_2dx4 1 . 4 . 891 . 1 1 1 ILE CB C 1.744 -5.310 9.674 . . . 1.0 . . . . . . . . . . . . A . 1 ILE CB . . . . . . . . . rr_2dx4 1 . 4 . 892 . 1 1 1 ILE CD1 C 0.933 -6.312 11.842 . . . 1.0 . . . . . . . . . . . . A . 1 ILE CD1 . . . . . . . . . rr_2dx4 1 . 4 . 893 . 1 1 1 ILE CG1 C 2.050 -6.305 10.796 . . . 1.0 . . . . . . . . . . . . A . 1 ILE CG1 . . . . . . . . . rr_2dx4 1 . 4 . 894 . 1 1 1 ILE CG2 C 1.430 -6.015 8.353 . . . 1.0 . . . . . . . . . . . . A . 1 ILE CG2 . . . . . . . . . rr_2dx4 1 . 4 . 895 . 1 1 1 ILE H1 H 2.911 -2.473 10.487 . . . 1.0 . . . . . . . . . . . . A . 1 ILE H1 . . . . . . . . . rr_2dx4 1 . 4 . 896 . 1 1 1 ILE HA H 3.812 -4.884 9.434 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HA . . . . . . . . . rr_2dx4 1 . 4 . 897 . 1 1 1 ILE HB H 0.850 -4.760 9.967 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HB . . . . . . . . . rr_2dx4 1 . 4 . 898 . 1 1 1 ILE HD11 H 1.198 -5.643 12.660 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HD11 . . . . . . . . . rr_2dx4 1 . 4 . 899 . 1 1 1 ILE HD12 H 0.003 -5.975 11.383 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HD12 . . . . . . . . . rr_2dx4 1 . 4 . 900 . 1 1 1 ILE HD13 H 0.802 -7.323 12.227 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HD13 . . . . . . . . . rr_2dx4 1 . 4 . 901 . 1 1 1 ILE HG12 H 2.168 -7.305 10.378 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HG12 . . . . . . . . . rr_2dx4 1 . 4 . 902 . 1 1 1 ILE HG13 H 2.996 -6.044 11.271 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HG13 . . . . . . . . . rr_2dx4 1 . 4 . 903 . 1 1 1 ILE HG21 H 0.648 -6.757 8.514 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HG21 . . . . . . . . . rr_2dx4 1 . 4 . 904 . 1 1 1 ILE HG22 H 1.090 -5.281 7.622 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HG22 . . . . . . . . . rr_2dx4 1 . 4 . 905 . 1 1 1 ILE HG23 H 2.328 -6.509 7.982 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HG23 . . . . . . . . . rr_2dx4 1 . 4 . 906 . 1 1 1 ILE N N 2.994 -3.452 10.672 . . . 1.0 . . . . . . . . . . . . A . 1 ILE N . . . . . . . . . rr_2dx4 1 . 4 . 907 . 1 1 1 ILE O O 2.492 -2.245 8.343 . . . 1.0 . . . . . . . . . . . . A . 1 ILE O . . . . . . . . . rr_2dx4 1 . 4 . 908 . 1 1 2 ASN C C 1.409 -3.161 5.476 . . . 1.0 . . . . . . . . . . . . A . 2 ASN C . . . . . . . . . rr_2dx4 1 . 4 . 909 . 1 1 2 ASN CA C 2.881 -3.378 5.834 . . . 1.0 . . . . . . . . . . . . A . 2 ASN CA . . . . . . . . . rr_2dx4 1 . 4 . 910 . 1 1 2 ASN CB C 3.526 -4.193 4.712 . . . 1.0 . . . . . . . . . . . . A . 2 ASN CB . . . . . . . . . rr_2dx4 1 . 4 . 911 . 1 1 2 ASN CG C 3.056 -3.705 3.340 . . . 1.0 . . . . . . . . . . . . A . 2 ASN CG . . . . . . . . . rr_2dx4 1 . 4 . 912 . 1 1 2 ASN H H 3.188 -5.050 7.038 . . . 1.0 . . . . . . . . . . . . A . 2 ASN H . . . . . . . . . rr_2dx4 1 . 4 . 913 . 1 1 2 ASN HA H 3.416 -2.440 5.986 . . . 1.0 . . . . . . . . . . . . A . 2 ASN HA . . . . . . . . . rr_2dx4 1 . 4 . 914 . 1 1 2 ASN HB2 H 4.611 -4.115 4.778 . . . 1.0 . . . . . . . . . . . . A . 2 ASN HB2 . . . . . . . . . rr_2dx4 1 . 4 . 915 . 1 1 2 ASN HB3 H 3.275 -5.247 4.832 . . . 1.0 . . . . . . . . . . . . A . 2 ASN HB3 . . . . . . . . . rr_2dx4 1 . 4 . 916 . 1 1 2 ASN HD21 H 2.614 -5.622 2.862 . . . 1.0 . . . . . . . . . . . . A . 2 ASN HD21 . . . . . . . . . rr_2dx4 1 . 4 . 917 . 1 1 2 ASN HD22 H 2.287 -4.456 1.624 . . . 1.0 . . . . . . . . . . . . A . 2 ASN HD22 . . . . . . . . . rr_2dx4 1 . 4 . 918 . 1 1 2 ASN N N 2.968 -4.077 7.105 . . . 1.0 . . . . . . . . . . . . A . 2 ASN N . . . . . . . . . rr_2dx4 1 . 4 . 919 . 1 1 2 ASN ND2 N 2.616 -4.675 2.543 . . . 1.0 . . . . . . . . . . . . A . 2 ASN ND2 . . . . . . . . . rr_2dx4 1 . 4 . 920 . 1 1 2 ASN O O 0.531 -3.843 6.002 . . . 1.0 . . . . . . . . . . . . A . 2 ASN O . . . . . . . . . rr_2dx4 1 . 4 . 921 . 1 1 2 ASN OD1 O 3.091 -2.527 3.026 . . . 1.0 . . . . . . . . . . . . A . 2 ASN OD1 . . . . . . . . . rr_2dx4 1 . 4 . 922 . 1 1 3 TYR C C -0.260 -1.882 2.620 . . . 1.0 . . . . . . . . . . . . A . 3 TYR C . . . . . . . . . rr_2dx4 1 . 4 . 923 . 1 1 3 TYR CA C -0.165 -1.894 4.147 . . . 1.0 . . . . . . . . . . . . A . 3 TYR CA . . . . . . . . . rr_2dx4 1 . 4 . 924 . 1 1 3 TYR CB C -0.461 -0.489 4.675 . . . 1.0 . . . . . . . . . . . . A . 3 TYR CB . . . . . . . . . rr_2dx4 1 . 4 . 925 . 1 1 3 TYR CD1 C 0.040 -0.701 7.137 . . . 1.0 . . . . . . . . . . . . A . 3 TYR CD1 . . . . . . . . . rr_2dx4 1 . 4 . 926 . 1 1 3 TYR CD2 C 1.356 0.815 5.840 . . . 1.0 . . . . . . . . . . . . A . 3 TYR CD2 . . . . . . . . . rr_2dx4 1 . 4 . 927 . 1 1 3 TYR CE1 C 0.792 -0.347 8.313 . . . 1.0 . . . . . . . . . . . . A . 3 TYR CE1 . . . . . . . . . rr_2dx4 1 . 4 . 928 . 1 1 3 TYR CE2 C 2.108 1.169 7.016 . . . 1.0 . . . . . . . . . . . . A . 3 TYR CE2 . . . . . . . . . rr_2dx4 1 . 4 . 929 . 1 1 3 TYR CG C 0.338 -0.113 5.925 . . . 1.0 . . . . . . . . . . . . A . 3 TYR CG . . . . . . . . . rr_2dx4 1 . 4 . 930 . 1 1 3 TYR CZ C 1.789 0.570 8.194 . . . 1.0 . . . . . . . . . . . . A . 3 TYR CZ . . . . . . . . . rr_2dx4 1 . 4 . 931 . 1 1 3 TYR H H 1.905 -1.659 4.158 . . . 1.0 . . . . . . . . . . . . A . 3 TYR H . . . . . . . . . rr_2dx4 1 . 4 . 932 . 1 1 3 TYR HA H -0.832 -2.661 4.539 . . . 1.0 . . . . . . . . . . . . A . 3 TYR HA . . . . . . . . . rr_2dx4 1 . 4 . 933 . 1 1 3 TYR HB2 H -0.249 0.236 3.889 . . . 1.0 . . . . . . . . . . . . A . 3 TYR HB2 . . . . . . . . . rr_2dx4 1 . 4 . 934 . 1 1 3 TYR HB3 H -1.525 -0.413 4.900 . . . 1.0 . . . . . . . . . . . . A . 3 TYR HB3 . . . . . . . . . rr_2dx4 1 . 4 . 935 . 1 1 3 TYR HD1 H -0.764 -1.434 7.204 . . . 1.0 . . . . . . . . . . . . A . 3 TYR HD1 . . . . . . . . . rr_2dx4 1 . 4 . 936 . 1 1 3 TYR HD2 H 1.592 1.279 4.882 . . . 1.0 . . . . . . . . . . . . A . 3 TYR HD2 . . . . . . . . . rr_2dx4 1 . 4 . 937 . 1 1 3 TYR HE1 H 0.568 -0.804 9.277 . . . 1.0 . . . . . . . . . . . . A . 3 TYR HE1 . . . . . . . . . rr_2dx4 1 . 4 . 938 . 1 1 3 TYR HE2 H 2.915 1.900 6.962 . . . 1.0 . . . . . . . . . . . . A . 3 TYR HE2 . . . . . . . . . rr_2dx4 1 . 4 . 939 . 1 1 3 TYR HH H 1.877 1.087 10.066 . . . 1.0 . . . . . . . . . . . . A . 3 TYR HH . . . . . . . . . rr_2dx4 1 . 4 . 940 . 1 1 3 TYR N N 1.185 -2.209 4.582 . . . 1.0 . . . . . . . . . . . . A . 3 TYR N . . . . . . . . . rr_2dx4 1 . 4 . 941 . 1 1 3 TYR O O -0.315 -0.817 2.006 . . . 1.0 . . . . . . . . . . . . A . 3 TYR O . . . . . . . . . rr_2dx4 1 . 4 . 942 . 1 1 3 TYR OH O 2.499 0.904 9.305 . . . 1.0 . . . . . . . . . . . . A . 3 TYR OH . . . . . . . . . rr_2dx4 1 . 4 . 943 . 1 1 4 TRP C C -1.384 -2.201 0.094 . . . 1.0 . . . . . . . . . . . . A . 4 TRP C . . . . . . . . . rr_2dx4 1 . 4 . 944 . 1 1 4 TRP CA C -0.363 -3.218 0.607 . . . 1.0 . . . . . . . . . . . . A . 4 TRP CA . . . . . . . . . rr_2dx4 1 . 4 . 945 . 1 1 4 TRP CB C -0.705 -4.657 0.216 . . . 1.0 . . . . . . . . . . . . A . 4 TRP CB . . . . . . . . . rr_2dx4 1 . 4 . 946 . 1 1 4 TRP CD1 C 1.624 -4.910 -0.868 . . . 1.0 . . . . . . . . . . . . A . 4 TRP CD1 . . . . . . . . . rr_2dx4 1 . 4 . 947 . 1 1 4 TRP CD2 C 0.356 -6.713 -1.089 . . . 1.0 . . . . . . . . . . . . A . 4 TRP CD2 . . . . . . . . . rr_2dx4 1 . 4 . 948 . 1 1 4 TRP CE2 C 1.562 -6.978 -1.706 . . . 1.0 . . . . . . . . . . . . A . 4 TRP CE2 . . . . . . . . . rr_2dx4 1 . 4 . 949 . 1 1 4 TRP CE3 C -0.675 -7.669 -1.054 . . . 1.0 . . . . . . . . . . . . A . 4 TRP CE3 . . . . . . . . . rr_2dx4 1 . 4 . 950 . 1 1 4 TRP CG C 0.407 -5.375 -0.551 . . . 1.0 . . . . . . . . . . . . A . 4 TRP CG . . . . . . . . . rr_2dx4 1 . 4 . 951 . 1 1 4 TRP CH2 C 0.837 -9.162 -2.313 . . . 1.0 . . . . . . . . . . . . A . 4 TRP CH2 . . . . . . . . . rr_2dx4 1 . 4 . 952 . 1 1 4 TRP CZ2 C 1.850 -8.196 -2.335 . . . 1.0 . . . . . . . . . . . . A . 4 TRP CZ2 . . . . . . . . . rr_2dx4 1 . 4 . 953 . 1 1 4 TRP CZ3 C -0.371 -8.880 -1.688 . . . 1.0 . . . . . . . . . . . . A . 4 TRP CZ3 . . . . . . . . . rr_2dx4 1 . 4 . 954 . 1 1 4 TRP H H -0.230 -3.939 2.557 . . . 1.0 . . . . . . . . . . . . A . 4 TRP H . . . . . . . . . rr_2dx4 1 . 4 . 955 . 1 1 4 TRP HA H 0.621 -3.002 0.191 . . . 1.0 . . . . . . . . . . . . A . 4 TRP HA . . . . . . . . . rr_2dx4 1 . 4 . 956 . 1 1 4 TRP HB2 H -0.934 -5.224 1.119 . . . 1.0 . . . . . . . . . . . . A . 4 TRP HB2 . . . . . . . . . rr_2dx4 1 . 4 . 957 . 1 1 4 TRP HB3 H -1.608 -4.653 -0.395 . . . 1.0 . . . . . . . . . . . . A . 4 TRP HB3 . . . . . . . . . rr_2dx4 1 . 4 . 958 . 1 1 4 TRP HD1 H 1.988 -3.917 -0.606 . . . 1.0 . . . . . . . . . . . . A . 4 TRP HD1 . . . . . . . . . rr_2dx4 1 . 4 . 959 . 1 1 4 TRP HE1 H 3.373 -5.722 -1.942 . . . 1.0 . . . . . . . . . . . . A . 4 TRP HE1 . . . . . . . . . rr_2dx4 1 . 4 . 960 . 1 1 4 TRP HE3 H -1.636 -7.484 -0.574 . . . 1.0 . . . . . . . . . . . . A . 4 TRP HE3 . . . . . . . . . rr_2dx4 1 . 4 . 961 . 1 1 4 TRP HH2 H 0.996 -10.132 -2.785 . . . 1.0 . . . . . . . . . . . . A . 4 TRP HH2 . . . . . . . . . rr_2dx4 1 . 4 . 962 . 1 1 4 TRP HZ2 H 2.810 -8.380 -2.816 . . . 1.0 . . . . . . . . . . . . A . 4 TRP HZ2 . . . . . . . . . rr_2dx4 1 . 4 . 963 . 1 1 4 TRP HZ3 H -1.137 -9.656 -1.690 . . . 1.0 . . . . . . . . . . . . A . 4 TRP HZ3 . . . . . . . . . rr_2dx4 1 . 4 . 964 . 1 1 4 TRP N N -0.276 -3.078 2.050 . . . 1.0 . . . . . . . . . . . . A . 4 TRP N . . . . . . . . . rr_2dx4 1 . 4 . 965 . 1 1 4 TRP NE1 N 2.357 -5.847 -1.567 . . . 1.0 . . . . . . . . . . . . A . 4 TRP NE1 . . . . . . . . . rr_2dx4 1 . 4 . 966 . 1 1 4 TRP O O -1.039 -1.301 -0.671 . . . 1.0 . . . . . . . . . . . . A . 4 TRP O . . . . . . . . . rr_2dx4 1 . 4 . 967 . 1 1 5 LEU C C -3.915 -1.613 -1.379 . . . 1.0 . . . . . . . . . . . . A . 5 LEU C . . . . . . . . . rr_2dx4 1 . 4 . 968 . 1 1 5 LEU CA C -3.694 -1.485 0.130 . . . 1.0 . . . . . . . . . . . . A . 5 LEU CA . . . . . . . . . rr_2dx4 1 . 4 . 969 . 1 1 5 LEU CB C -3.405 -0.055 0.590 . . . 1.0 . . . . . . . . . . . . A . 5 LEU CB . . . . . . . . . rr_2dx4 1 . 4 . 970 . 1 1 5 LEU CD1 C -5.708 0.750 1.227 . . . 1.0 . . . . . . . . . . . . A . 5 LEU CD1 . . . . . . . . . rr_2dx4 1 . 4 . 971 . 1 1 5 LEU CD2 C -3.958 2.399 0.419 . . . 1.0 . . . . . . . . . . . . A . 5 LEU CD2 . . . . . . . . . rr_2dx4 1 . 4 . 972 . 1 1 5 LEU CG C -4.503 0.974 0.312 . . . 1.0 . . . . . . . . . . . . A . 5 LEU CG . . . . . . . . . rr_2dx4 1 . 4 . 973 . 1 1 5 LEU H H -2.893 -3.111 1.157 . . . 1.0 . . . . . . . . . . . . A . 5 LEU H . . . . . . . . . rr_2dx4 1 . 4 . 974 . 1 1 5 LEU HA H -4.600 -1.812 0.641 . . . 1.0 . . . . . . . . . . . . A . 5 LEU HA . . . . . . . . . rr_2dx4 1 . 4 . 975 . 1 1 5 LEU HB2 H -3.214 -0.072 1.663 . . . 1.0 . . . . . . . . . . . . A . 5 LEU HB2 . . . . . . . . . rr_2dx4 1 . 4 . 976 . 1 1 5 LEU HB3 H -2.488 0.282 0.108 . . . 1.0 . . . . . . . . . . . . A . 5 LEU HB3 . . . . . . . . . rr_2dx4 1 . 4 . 977 . 1 1 5 LEU HD11 H -5.675 -0.261 1.631 . . . 1.0 . . . . . . . . . . . . A . 5 LEU HD11 . . . . . . . . . rr_2dx4 1 . 4 . 978 . 1 1 5 LEU HD12 H -5.682 1.470 2.045 . . . 1.0 . . . . . . . . . . . . A . 5 LEU HD12 . . . . . . . . . rr_2dx4 1 . 4 . 979 . 1 1 5 LEU HD13 H -6.627 0.883 0.656 . . . 1.0 . . . . . . . . . . . . A . 5 LEU HD13 . . . . . . . . . rr_2dx4 1 . 4 . 980 . 1 1 5 LEU HD21 H -3.253 2.457 1.249 . . . 1.0 . . . . . . . . . . . . A . 5 LEU HD21 . . . . . . . . . rr_2dx4 1 . 4 . 981 . 1 1 5 LEU HD22 H -3.450 2.665 -0.508 . . . 1.0 . . . . . . . . . . . . A . 5 LEU HD22 . . . . . . . . . rr_2dx4 1 . 4 . 982 . 1 1 5 LEU HD23 H -4.782 3.091 0.593 . . . 1.0 . . . . . . . . . . . . A . 5 LEU HD23 . . . . . . . . . rr_2dx4 1 . 4 . 983 . 1 1 5 LEU HG H -4.847 0.837 -0.713 . . . 1.0 . . . . . . . . . . . . A . 5 LEU HG . . . . . . . . . rr_2dx4 1 . 4 . 984 . 1 1 5 LEU N N -2.621 -2.377 0.535 . . . 1.0 . . . . . . . . . . . . A . 5 LEU N . . . . . . . . . rr_2dx4 1 . 4 . 985 . 1 1 5 LEU O O -4.411 -2.634 -1.853 . . . 1.0 . . . . . . . . . . . . A . 5 LEU O . . . . . . . . . rr_2dx4 1 . 4 . 986 . 1 1 6 ALA C C -5.112 -0.115 -3.890 . . . 1.0 . . . . . . . . . . . . A . 6 ALA C . . . . . . . . . rr_2dx4 1 . 4 . 987 . 1 1 6 ALA CA C -3.687 -0.543 -3.536 . . . 1.0 . . . . . . . . . . . . A . 6 ALA CA . . . . . . . . . rr_2dx4 1 . 4 . 988 . 1 1 6 ALA CB C -3.334 -1.919 -4.104 . . . 1.0 . . . . . . . . . . . . A . 6 ALA CB . . . . . . . . . rr_2dx4 1 . 4 . 989 . 1 1 6 ALA H H -3.134 0.265 -1.697 . . . 1.0 . . . . . . . . . . . . A . 6 ALA H . . . . . . . . . rr_2dx4 1 . 4 . 990 . 1 1 6 ALA HA H -2.986 0.191 -3.933 . . . 1.0 . . . . . . . . . . . . A . 6 ALA HA . . . . . . . . . rr_2dx4 1 . 4 . 991 . 1 1 6 ALA HB1 H -2.903 -1.802 -5.099 . . . 1.0 . . . . . . . . . . . . A . 6 ALA HB1 . . . . . . . . . rr_2dx4 1 . 4 . 992 . 1 1 6 ALA HB2 H -2.611 -2.408 -3.450 . . . 1.0 . . . . . . . . . . . . A . 6 ALA HB2 . . . . . . . . . rr_2dx4 1 . 4 . 993 . 1 1 6 ALA HB3 H -4.235 -2.529 -4.167 . . . 1.0 . . . . . . . . . . . . A . 6 ALA HB3 . . . . . . . . . rr_2dx4 1 . 4 . 994 . 1 1 6 ALA N N -3.536 -0.562 -2.091 . . . 1.0 . . . . . . . . . . . . A . 6 ALA N . . . . . . . . . rr_2dx4 1 . 4 . 995 . 1 1 6 ALA O O -6.011 -0.950 -3.981 . . . 1.0 . . . . . . . . . . . . A . 6 ALA O . . . . . . . . . rr_2dx4 1 . 4 . 996 . 1 1 7 HIS C C -6.393 3.063 -5.163 . . . 1.0 . . . . . . . . . . . . A . 7 HIS C . . . . . . . . . rr_2dx4 1 . 4 . 997 . 1 1 7 HIS CA C -6.575 1.736 -4.424 . . . 1.0 . . . . . . . . . . . . A . 7 HIS CA . . . . . . . . . rr_2dx4 1 . 4 . 998 . 1 1 7 HIS CB C -7.455 1.866 -3.179 . . . 1.0 . . . . . . . . . . . . A . 7 HIS CB . . . . . . . . . rr_2dx4 1 . 4 . 999 . 1 1 7 HIS CD2 C -7.235 4.220 -2.064 . . . 1.0 . . . . . . . . . . . . A . 7 HIS CD2 . . . . . . . . . rr_2dx4 1 . 4 . 1000 . 1 1 7 HIS CE1 C -9.052 5.124 -2.882 . . . 1.0 . . . . . . . . . . . . A . 7 HIS CE1 . . . . . . . . . rr_2dx4 1 . 4 . 1001 . 1 1 7 HIS CG C -7.846 3.287 -2.849 . . . 1.0 . . . . . . . . . . . . A . 7 HIS CG . . . . . . . . . rr_2dx4 1 . 4 . 1002 . 1 1 7 HIS H H -4.538 1.859 -4.006 . . . 1.0 . . . . . . . . . . . . A . 7 HIS H . . . . . . . . . rr_2dx4 1 . 4 . 1003 . 1 1 7 HIS HA H -7.051 1.019 -5.093 . . . 1.0 . . . . . . . . . . . . A . 7 HIS HA . . . . . . . . . rr_2dx4 1 . 4 . 1004 . 1 1 7 HIS HB2 H -8.360 1.276 -3.322 . . . 1.0 . . . . . . . . . . . . A . 7 HIS HB2 . . . . . . . . . rr_2dx4 1 . 4 . 1005 . 1 1 7 HIS HB3 H -6.927 1.439 -2.327 . . . 1.0 . . . . . . . . . . . . A . 7 HIS HB3 . . . . . . . . . rr_2dx4 1 . 4 . 1006 . 1 1 7 HIS HD1 H -9.653 3.457 -3.962 . . . 1.0 . . . . . . . . . . . . A . 7 HIS HD1 . . . . . . . . . rr_2dx4 1 . 4 . 1007 . 1 1 7 HIS HD2 H -6.305 4.079 -1.513 . . . 1.0 . . . . . . . . . . . . A . 7 HIS HD2 . . . . . . . . . rr_2dx4 1 . 4 . 1008 . 1 1 7 HIS HE1 H -9.836 5.850 -3.095 . . . 1.0 . . . . . . . . . . . . A . 7 HIS HE1 . . . . . . . . . rr_2dx4 1 . 4 . 1009 . 1 1 7 HIS HE2 H -7.780 6.156 -1.554 . . . 1.0 . . . . . . . . . . . . A . 7 HIS HE2 . . . . . . . . . rr_2dx4 1 . 4 . 1010 . 1 1 7 HIS N N -5.275 1.186 -4.081 . . . 1.0 . . . . . . . . . . . . A . 7 HIS N . . . . . . . . . rr_2dx4 1 . 4 . 1011 . 1 1 7 HIS ND1 N -8.988 3.886 -3.350 . . . 1.0 . . . . . . . . . . . . A . 7 HIS ND1 . . . . . . . . . rr_2dx4 1 . 4 . 1012 . 1 1 7 HIS NE2 N -7.964 5.329 -2.086 . . . 1.0 . . . . . . . . . . . . A . 7 HIS NE2 . . . . . . . . . rr_2dx4 1 . 4 . 1013 . 1 1 7 HIS O O -6.767 3.185 -6.329 . . . 1.0 . . . . . . . . . . . . A . 7 HIS O . . . . . . . . . rr_2dx4 1 . 4 . 1014 . 1 1 8 ALA C C -4.873 6.219 -4.000 . . . 1.0 . . . . . . . . . . . . A . 8 ALA C . . . . . . . . . rr_2dx4 1 . 4 . 1015 . 1 1 8 ALA CA C -5.583 5.338 -5.029 . . . 1.0 . . . . . . . . . . . . A . 8 ALA CA . . . . . . . . . rr_2dx4 1 . 4 . 1016 . 1 1 8 ALA CB C -6.912 5.939 -5.493 . . . 1.0 . . . . . . . . . . . . A . 8 ALA CB . . . . . . . . . rr_2dx4 1 . 4 . 1017 . 1 1 8 ALA H H -5.519 3.917 -3.507 . . . 1.0 . . . . . . . . . . . . A . 8 ALA H . . . . . . . . . rr_2dx4 1 . 4 . 1018 . 1 1 8 ALA HA H -4.934 5.209 -5.895 . . . 1.0 . . . . . . . . . . . . A . 8 ALA HA . . . . . . . . . rr_2dx4 1 . 4 . 1019 . 1 1 8 ALA HB1 H -7.192 5.504 -6.453 . . . 1.0 . . . . . . . . . . . . A . 8 ALA HB1 . . . . . . . . . rr_2dx4 1 . 4 . 1020 . 1 1 8 ALA HB2 H -7.685 5.722 -4.756 . . . 1.0 . . . . . . . . . . . . A . 8 ALA HB2 . . . . . . . . . rr_2dx4 1 . 4 . 1021 . 1 1 8 ALA HB3 H -6.804 7.018 -5.601 . . . 1.0 . . . . . . . . . . . . A . 8 ALA HB3 . . . . . . . . . rr_2dx4 1 . 4 . 1022 . 1 1 8 ALA N N -5.819 4.024 -4.455 . . . 1.0 . . . . . . . . . . . . A . 8 ALA N . . . . . . . . . rr_2dx4 1 . 4 . 1023 . 1 1 8 ALA O O -3.660 6.118 -3.823 . . . 1.0 . . . . . . . . . . . . A . 8 ALA O . . . . . . . . . rr_2dx4 1 . 4 . 1024 . 1 1 9 LYS C C -3.708 8.391 -2.750 . . . 1.0 . . . . . . . . . . . . A . 9 LYS C . . . . . . . . . rr_2dx4 1 . 4 . 1025 . 1 1 9 LYS CA C -5.119 7.963 -2.342 . . . 1.0 . . . . . . . . . . . . A . 9 LYS CA . . . . . . . . . rr_2dx4 1 . 4 . 1026 . 1 1 9 LYS CB C -5.190 7.319 -0.956 . . . 1.0 . . . . . . . . . . . . A . 9 LYS CB . . . . . . . . . rr_2dx4 1 . 4 . 1027 . 1 1 9 LYS CD C -5.934 9.221 0.524 . . . 1.0 . . . . . . . . . . . . A . 9 LYS CD . . . . . . . . . rr_2dx4 1 . 4 . 1028 . 1 1 9 LYS CE C -5.781 10.608 -0.104 . . . 1.0 . . . . . . . . . . . . A . 9 LYS CE . . . . . . . . . rr_2dx4 1 . 4 . 1029 . 1 1 9 LYS CG C -4.769 8.310 0.131 . . . 1.0 . . . . . . . . . . . . A . 9 LYS CG . . . . . . . . . rr_2dx4 1 . 4 . 1030 . 1 1 9 LYS H H -6.644 7.140 -3.499 . . . 1.0 . . . . . . . . . . . . A . 9 LYS H . . . . . . . . . rr_2dx4 1 . 4 . 1031 . 1 1 9 LYS HA H -5.755 8.847 -2.319 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HA . . . . . . . . . rr_2dx4 1 . 4 . 1032 . 1 1 9 LYS HB2 H -6.205 6.972 -0.763 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HB2 . . . . . . . . . rr_2dx4 1 . 4 . 1033 . 1 1 9 LYS HB3 H -4.543 6.442 -0.924 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HB3 . . . . . . . . . rr_2dx4 1 . 4 . 1034 . 1 1 9 LYS HD2 H -6.874 8.774 0.202 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HD2 . . . . . . . . . rr_2dx4 1 . 4 . 1035 . 1 1 9 LYS HD3 H -5.979 9.312 1.609 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HD3 . . . . . . . . . rr_2dx4 1 . 4 . 1036 . 1 1 9 LYS HE2 H -5.707 11.362 0.679 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HE2 . . . . . . . . . rr_2dx4 1 . 4 . 1037 . 1 1 9 LYS HE3 H -4.855 10.654 -0.678 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HE3 . . . . . . . . . rr_2dx4 1 . 4 . 1038 . 1 1 9 LYS HG2 H -4.417 7.766 1.007 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HG2 . . . . . . . . . rr_2dx4 1 . 4 . 1039 . 1 1 9 LYS HG3 H -3.934 8.914 -0.226 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HG3 . . . . . . . . . rr_2dx4 1 . 4 . 1040 . 1 1 9 LYS HZ1 H -6.641 11.526 -1.714 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HZ1 . . . . . . . . . rr_2dx4 1 . 4 . 1041 . 1 1 9 LYS HZ2 H -7.277 10.059 -1.383 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HZ2 . . . . . . . . . rr_2dx4 1 . 4 . 1042 . 1 1 9 LYS HZ3 H -7.656 11.343 -0.448 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HZ3 . . . . . . . . . rr_2dx4 1 . 4 . 1043 . 1 1 9 LYS N N -5.658 7.064 -3.349 . . . 1.0 . . . . . . . . . . . . A . 9 LYS N . . . . . . . . . rr_2dx4 1 . 4 . 1044 . 1 1 9 LYS NZ N -6.932 10.908 -0.984 . . . 1.0 . . . . . . . . . . . . A . 9 LYS NZ . . . . . . . . . rr_2dx4 1 . 4 . 1045 . 1 1 9 LYS O O -2.764 8.250 -1.974 . . . 1.0 . . . . . . . . . . . . A . 9 LYS O . . . . . . . . . rr_2dx4 1 . 4 . 1046 . 1 1 10 ALA C C -1.463 8.136 -4.822 . . . 1.0 . . . . . . . . . . . . A . 10 ALA C . . . . . . . . . rr_2dx4 1 . 4 . 1047 . 1 1 10 ALA CA C -2.328 9.353 -4.487 . . . 1.0 . . . . . . . . . . . . A . 10 ALA CA . . . . . . . . . rr_2dx4 1 . 4 . 1048 . 1 1 10 ALA CB C -1.660 10.281 -3.470 . . . 1.0 . . . . . . . . . . . . A . 10 ALA CB . . . . . . . . . rr_2dx4 1 . 4 . 1049 . 1 1 10 ALA H H -4.381 9.015 -4.592 . . . 1.0 . . . . . . . . . . . . A . 10 ALA H . . . . . . . . . rr_2dx4 1 . 4 . 1050 . 1 1 10 ALA HA H -2.520 9.915 -5.402 . . . 1.0 . . . . . . . . . . . . A . 10 ALA HA . . . . . . . . . rr_2dx4 1 . 4 . 1051 . 1 1 10 ALA HB1 H -0.862 10.840 -3.958 . . . 1.0 . . . . . . . . . . . . A . 10 ALA HB1 . . . . . . . . . rr_2dx4 1 . 4 . 1052 . 1 1 10 ALA HB2 H -2.400 10.976 -3.072 . . . 1.0 . . . . . . . . . . . . A . 10 ALA HB2 . . . . . . . . . rr_2dx4 1 . 4 . 1053 . 1 1 10 ALA HB3 H -1.244 9.688 -2.656 . . . 1.0 . . . . . . . . . . . . A . 10 ALA HB3 . . . . . . . . . rr_2dx4 1 . 4 . 1054 . 1 1 10 ALA N N -3.608 8.904 -3.967 . . . 1.0 . . . . . . . . . . . . A . 10 ALA N . . . . . . . . . rr_2dx4 1 . 4 . 1055 . 1 1 10 ALA O O -0.352 8.000 -4.311 . . . 1.0 . . . . . . . . . . . . A . 10 ALA O . . . . . . . . . rr_2dx4 1 . 4 . 1056 . 1 1 11 GLY C C -0.639 5.398 -4.887 . . . 1.0 . . . . . . . . . . . . A . 11 GLY C . . . . . . . . . rr_2dx4 1 . 4 . 1057 . 1 1 11 GLY CA C -1.296 6.082 -6.087 . . . 1.0 . . . . . . . . . . . . A . 11 GLY CA . . . . . . . . . rr_2dx4 1 . 4 . 1058 . 1 1 11 GLY H H -2.908 7.401 -6.090 . . . 1.0 . . . . . . . . . . . . A . 11 GLY H . . . . . . . . . rr_2dx4 1 . 4 . 1059 . 1 1 11 GLY HA2 H -1.990 5.392 -6.568 . . . 1.0 . . . . . . . . . . . . A . 11 GLY HA2 . . . . . . . . . rr_2dx4 1 . 4 . 1060 . 1 1 11 GLY HA3 H -0.536 6.337 -6.826 . . . 1.0 . . . . . . . . . . . . A . 11 GLY HA3 . . . . . . . . . rr_2dx4 1 . 4 . 1061 . 1 1 11 GLY N N -2.005 7.283 -5.678 . . . 1.0 . . . . . . . . . . . . A . 11 GLY N . . . . . . . . . rr_2dx4 1 . 4 . 1062 . 1 1 11 GLY O O 0.516 4.981 -4.961 . . . 1.0 . . . . . . . . . . . . A . 11 GLY O . . . . . . . . . rr_2dx4 1 . 4 . 1063 . 1 1 12 TYR C C -0.451 3.242 -2.864 . . . 1.0 . . . . . . . . . . . . A . 12 TYR C . . . . . . . . . rr_2dx4 1 . 4 . 1064 . 1 1 12 TYR CA C -0.909 4.676 -2.594 . . . 1.0 . . . . . . . . . . . . A . 12 TYR CA . . . . . . . . . rr_2dx4 1 . 4 . 1065 . 1 1 12 TYR CB C -2.091 4.647 -1.624 . . . 1.0 . . . . . . . . . . . . A . 12 TYR CB . . . . . . . . . rr_2dx4 1 . 4 . 1066 . 1 1 12 TYR CD1 C -1.269 3.111 0.198 . . . 1.0 . . . . . . . . . . . . A . 12 TYR CD1 . . . . . . . . . rr_2dx4 1 . 4 . 1067 . 1 1 12 TYR CD2 C -1.772 5.377 0.768 . . . 1.0 . . . . . . . . . . . . A . 12 TYR CD2 . . . . . . . . . rr_2dx4 1 . 4 . 1068 . 1 1 12 TYR CE1 C -0.899 2.849 1.565 . . . 1.0 . . . . . . . . . . . . A . 12 TYR CE1 . . . . . . . . . rr_2dx4 1 . 4 . 1069 . 1 1 12 TYR CE2 C -1.401 5.116 2.135 . . . 1.0 . . . . . . . . . . . . A . 12 TYR CE2 . . . . . . . . . rr_2dx4 1 . 4 . 1070 . 1 1 12 TYR CG C -1.698 4.369 -0.172 . . . 1.0 . . . . . . . . . . . . A . 12 TYR CG . . . . . . . . . rr_2dx4 1 . 4 . 1071 . 1 1 12 TYR CZ C -0.983 3.865 2.466 . . . 1.0 . . . . . . . . . . . . A . 12 TYR CZ . . . . . . . . . rr_2dx4 1 . 4 . 1072 . 1 1 12 TYR H H -2.341 5.644 -3.757 . . . 1.0 . . . . . . . . . . . . A . 12 TYR H . . . . . . . . . rr_2dx4 1 . 4 . 1073 . 1 1 12 TYR HA H -0.060 5.259 -2.236 . . . 1.0 . . . . . . . . . . . . A . 12 TYR HA . . . . . . . . . rr_2dx4 1 . 4 . 1074 . 1 1 12 TYR HB2 H -2.611 5.604 -1.672 . . . 1.0 . . . . . . . . . . . . A . 12 TYR HB2 . . . . . . . . . rr_2dx4 1 . 4 . 1075 . 1 1 12 TYR HB3 H -2.798 3.884 -1.950 . . . 1.0 . . . . . . . . . . . . A . 12 TYR HB3 . . . . . . . . . rr_2dx4 1 . 4 . 1076 . 1 1 12 TYR HD1 H -1.211 2.315 -0.544 . . . 1.0 . . . . . . . . . . . . A . 12 TYR HD1 . . . . . . . . . rr_2dx4 1 . 4 . 1077 . 1 1 12 TYR HD2 H -2.110 6.371 0.476 . . . 1.0 . . . . . . . . . . . . A . 12 TYR HD2 . . . . . . . . . rr_2dx4 1 . 4 . 1078 . 1 1 12 TYR HE1 H -0.559 1.860 1.871 . . . 1.0 . . . . . . . . . . . . A . 12 TYR HE1 . . . . . . . . . rr_2dx4 1 . 4 . 1079 . 1 1 12 TYR HE2 H -1.455 5.903 2.887 . . . 1.0 . . . . . . . . . . . . A . 12 TYR HE2 . . . . . . . . . rr_2dx4 1 . 4 . 1080 . 1 1 12 TYR HH H -1.396 3.836 4.366 . . . 1.0 . . . . . . . . . . . . A . 12 TYR HH . . . . . . . . . rr_2dx4 1 . 4 . 1081 . 1 1 12 TYR N N -1.403 5.303 -3.809 . . . 1.0 . . . . . . . . . . . . A . 12 TYR N . . . . . . . . . rr_2dx4 1 . 4 . 1082 . 1 1 12 TYR O O 0.301 2.667 -2.078 . . . 1.0 . . . . . . . . . . . . A . 12 TYR O . . . . . . . . . rr_2dx4 1 . 4 . 1083 . 1 1 12 TYR OH O -0.633 3.618 3.757 . . . 1.0 . . . . . . . . . . . . A . 12 TYR OH . . . . . . . . . rr_2dx4 1 . 4 . 1084 . 1 1 13 ILE C C 0.945 1.172 -4.268 . . . 1.0 . . . . . . . . . . . . A . 13 ILE C . . . . . . . . . rr_2dx4 1 . 4 . 1085 . 1 1 13 ILE CA C -0.572 1.347 -4.363 . . . 1.0 . . . . . . . . . . . . A . 13 ILE CA . . . . . . . . . rr_2dx4 1 . 4 . 1086 . 1 1 13 ILE CB C -1.143 1.016 -5.743 . . . 1.0 . . . . . . . . . . . . A . 13 ILE CB . . . . . . . . . rr_2dx4 1 . 4 . 1087 . 1 1 13 ILE CD1 C 0.882 -0.113 -6.736 . . . 1.0 . . . . . . . . . . . . A . 13 ILE CD1 . . . . . . . . . rr_2dx4 1 . 4 . 1088 . 1 1 13 ILE CG1 C -0.565 -0.298 -6.275 . . . 1.0 . . . . . . . . . . . . A . 13 ILE CG1 . . . . . . . . . rr_2dx4 1 . 4 . 1089 . 1 1 13 ILE CG2 C -0.927 2.174 -6.719 . . . 1.0 . . . . . . . . . . . . A . 13 ILE CG2 . . . . . . . . . rr_2dx4 1 . 4 . 1090 . 1 1 13 ILE H H -1.534 3.178 -4.614 . . . 1.0 . . . . . . . . . . . . A . 13 ILE H . . . . . . . . . rr_2dx4 1 . 4 . 1091 . 1 1 13 ILE HA H -1.043 0.673 -3.648 . . . 1.0 . . . . . . . . . . . . A . 13 ILE HA . . . . . . . . . rr_2dx4 1 . 4 . 1092 . 1 1 13 ILE HB H -2.220 0.876 -5.642 . . . 1.0 . . . . . . . . . . . . A . 13 ILE HB . . . . . . . . . rr_2dx4 1 . 4 . 1093 . 1 1 13 ILE HD11 H 0.999 -0.524 -7.739 . . . 1.0 . . . . . . . . . . . . A . 13 ILE HD11 . . . . . . . . . rr_2dx4 1 . 4 . 1094 . 1 1 13 ILE HD12 H 1.126 0.949 -6.748 . . . 1.0 . . . . . . . . . . . . A . 13 ILE HD12 . . . . . . . . . rr_2dx4 1 . 4 . 1095 . 1 1 13 ILE HD13 H 1.551 -0.632 -6.050 . . . 1.0 . . . . . . . . . . . . A . 13 ILE HD13 . . . . . . . . . rr_2dx4 1 . 4 . 1096 . 1 1 13 ILE HG12 H -0.608 -1.060 -5.497 . . . 1.0 . . . . . . . . . . . . A . 13 ILE HG12 . . . . . . . . . rr_2dx4 1 . 4 . 1097 . 1 1 13 ILE HG13 H -1.173 -0.656 -7.106 . . . 1.0 . . . . . . . . . . . . A . 13 ILE HG13 . . . . . . . . . rr_2dx4 1 . 4 . 1098 . 1 1 13 ILE HG21 H -1.839 2.768 -6.786 . . . 1.0 . . . . . . . . . . . . A . 13 ILE HG21 . . . . . . . . . rr_2dx4 1 . 4 . 1099 . 1 1 13 ILE HG22 H -0.110 2.801 -6.363 . . . 1.0 . . . . . . . . . . . . A . 13 ILE HG22 . . . . . . . . . rr_2dx4 1 . 4 . 1100 . 1 1 13 ILE HG23 H -0.678 1.778 -7.704 . . . 1.0 . . . . . . . . . . . . A . 13 ILE HG23 . . . . . . . . . rr_2dx4 1 . 4 . 1101 . 1 1 13 ILE N N -0.923 2.704 -3.979 . . . 1.0 . . . . . . . . . . . . A . 13 ILE N . . . . . . . . . rr_2dx4 1 . 4 . 1102 . 1 1 13 ILE O O 1.701 1.933 -4.869 . . . 1.0 . . . . . . . . . . . . A . 13 ILE O . . . . . . . . . rr_2dx4 1 . 4 . 1103 . 1 1 14 VAL C C 3.004 -1.617 -3.538 . . . 1.0 . . . . . . . . . . . . A . 14 VAL C . . . . . . . . . rr_2dx4 1 . 4 . 1104 . 1 1 14 VAL CA C 2.759 -0.122 -3.325 . . . 1.0 . . . . . . . . . . . . A . 14 VAL CA . . . . . . . . . rr_2dx4 1 . 4 . 1105 . 1 1 14 VAL CB C 3.219 0.370 -1.952 . . . 1.0 . . . . . . . . . . . . A . 14 VAL CB . . . . . . . . . rr_2dx4 1 . 4 . 1106 . 1 1 14 VAL CG1 C 2.967 -0.689 -0.877 . . . 1.0 . . . . . . . . . . . . A . 14 VAL CG1 . . . . . . . . . rr_2dx4 1 . 4 . 1107 . 1 1 14 VAL CG2 C 4.693 0.781 -1.982 . . . 1.0 . . . . . . . . . . . . A . 14 VAL CG2 . . . . . . . . . rr_2dx4 1 . 4 . 1108 . 1 1 14 VAL H H 0.724 -0.452 -3.021 . . . 1.0 . . . . . . . . . . . . A . 14 VAL H . . . . . . . . . rr_2dx4 1 . 4 . 1109 . 1 1 14 VAL HA H 3.307 0.435 -4.085 . . . 1.0 . . . . . . . . . . . . A . 14 VAL HA . . . . . . . . . rr_2dx4 1 . 4 . 1110 . 1 1 14 VAL HB H 2.631 1.252 -1.697 . . . 1.0 . . . . . . . . . . . . A . 14 VAL HB . . . . . . . . . rr_2dx4 1 . 4 . 1111 . 1 1 14 VAL HG11 H 3.904 -1.188 -0.631 . . . 1.0 . . . . . . . . . . . . A . 14 VAL HG11 . . . . . . . . . rr_2dx4 1 . 4 . 1112 . 1 1 14 VAL HG12 H 2.565 -0.211 0.017 . . . 1.0 . . . . . . . . . . . . A . 14 VAL HG12 . . . . . . . . . rr_2dx4 1 . 4 . 1113 . 1 1 14 VAL HG13 H 2.252 -1.422 -1.250 . . . 1.0 . . . . . . . . . . . . A . 14 VAL HG13 . . . . . . . . . rr_2dx4 1 . 4 . 1114 . 1 1 14 VAL HG21 H 5.018 0.890 -3.017 . . . 1.0 . . . . . . . . . . . . A . 14 VAL HG21 . . . . . . . . . rr_2dx4 1 . 4 . 1115 . 1 1 14 VAL HG22 H 4.816 1.730 -1.460 . . . 1.0 . . . . . . . . . . . . A . 14 VAL HG22 . . . . . . . . . rr_2dx4 1 . 4 . 1116 . 1 1 14 VAL HG23 H 5.293 0.015 -1.491 . . . 1.0 . . . . . . . . . . . . A . 14 VAL HG23 . . . . . . . . . rr_2dx4 1 . 4 . 1117 . 1 1 14 VAL N N 1.346 0.163 -3.507 . . . 1.0 . . . . . . . . . . . . A . 14 VAL N . . . . . . . . . rr_2dx4 1 . 4 . 1118 . 1 1 14 VAL O O 2.202 -2.297 -4.176 . . . 1.0 . . . . . . . . . . . . A . 14 VAL O . . . . . . . . . rr_2dx4 1 . 4 . 1119 . 1 1 15 HIS C C 5.533 -3.839 -2.061 . . . 1.0 . . . . . . . . . . . . A . 15 HIS C . . . . . . . . . rr_2dx4 1 . 4 . 1120 . 1 1 15 HIS CA C 4.477 -3.488 -3.111 . . . 1.0 . . . . . . . . . . . . A . 15 HIS CA . . . . . . . . . rr_2dx4 1 . 4 . 1121 . 1 1 15 HIS CB C 4.929 -3.811 -4.537 . . . 1.0 . . . . . . . . . . . . A . 15 HIS CB . . . . . . . . . rr_2dx4 1 . 4 . 1122 . 1 1 15 HIS CD2 C 2.582 -4.409 -5.518 . . . 1.0 . . . . . . . . . . . . A . 15 HIS CD2 . . . . . . . . . rr_2dx4 1 . 4 . 1123 . 1 1 15 HIS CE1 C 2.761 -3.347 -7.423 . . . 1.0 . . . . . . . . . . . . A . 15 HIS CE1 . . . . . . . . . rr_2dx4 1 . 4 . 1124 . 1 1 15 HIS CG C 3.810 -3.816 -5.550 . . . 1.0 . . . . . . . . . . . . A . 15 HIS CG . . . . . . . . . rr_2dx4 1 . 4 . 1125 . 1 1 15 HIS H H 4.763 -1.526 -2.472 . . . 1.0 . . . . . . . . . . . . A . 15 HIS H . . . . . . . . . rr_2dx4 1 . 4 . 1126 . 1 1 15 HIS HA H 3.573 -4.062 -2.911 . . . 1.0 . . . . . . . . . . . . A . 15 HIS HA . . . . . . . . . rr_2dx4 1 . 4 . 1127 . 1 1 15 HIS HB2 H 5.679 -3.081 -4.843 . . . 1.0 . . . . . . . . . . . . A . 15 HIS HB2 . . . . . . . . . rr_2dx4 1 . 4 . 1128 . 1 1 15 HIS HB3 H 5.414 -4.787 -4.541 . . . 1.0 . . . . . . . . . . . . A . 15 HIS HB3 . . . . . . . . . rr_2dx4 1 . 4 . 1129 . 1 1 15 HIS HD1 H 4.675 -2.622 -7.086 . . . 1.0 . . . . . . . . . . . . A . 15 HIS HD1 . . . . . . . . . rr_2dx4 1 . 4 . 1130 . 1 1 15 HIS HD2 H 2.187 -5.014 -4.702 . . . 1.0 . . . . . . . . . . . . A . 15 HIS HD2 . . . . . . . . . rr_2dx4 1 . 4 . 1131 . 1 1 15 HIS HE1 H 2.520 -2.953 -8.411 . . . 1.0 . . . . . . . . . . . . A . 15 HIS HE1 . . . . . . . . . rr_2dx4 1 . 4 . 1132 . 1 1 15 HIS HE2 H 1.052 -4.475 -6.919 . . . 1.0 . . . . . . . . . . . . A . 15 HIS HE2 . . . . . . . . . rr_2dx4 1 . 4 . 1133 . 1 1 15 HIS N N 4.116 -2.085 -2.990 . . . 1.0 . . . . . . . . . . . . A . 15 HIS N . . . . . . . . . rr_2dx4 1 . 4 . 1134 . 1 1 15 HIS ND1 N 3.893 -3.155 -6.763 . . . 1.0 . . . . . . . . . . . . A . 15 HIS ND1 . . . . . . . . . rr_2dx4 1 . 4 . 1135 . 1 1 15 HIS NE2 N 1.949 -4.124 -6.650 . . . 1.0 . . . . . . . . . . . . A . 15 HIS NE2 . . . . . . . . . rr_2dx4 1 . 4 . 1136 . 1 1 15 HIS O O 6.585 -4.382 -2.391 . . . 1.0 . . . . . . . . . . . . A . 15 HIS O . . . . . . . . . rr_2dx4 1 . 4 . 1137 . 1 1 16 TRP C C 6.015 -5.275 0.626 . . . 1.0 . . . . . . . . . . . . A . 16 TRP C . . . . . . . . . rr_2dx4 1 . 4 . 1138 . 1 1 16 TRP CA C 6.121 -3.787 0.285 . . . 1.0 . . . . . . . . . . . . A . 16 TRP CA . . . . . . . . . rr_2dx4 1 . 4 . 1139 . 1 1 16 TRP CB C 5.825 -2.878 1.479 . . . 1.0 . . . . . . . . . . . . A . 16 TRP CB . . . . . . . . . rr_2dx4 1 . 4 . 1140 . 1 1 16 TRP CD1 C 4.891 -0.474 1.373 . . . 1.0 . . . . . . . . . . . . A . 16 TRP CD1 . . . . . . . . . rr_2dx4 1 . 4 . 1141 . 1 1 16 TRP CD2 C 6.922 -0.662 0.508 . . . 1.0 . . . . . . . . . . . . A . 16 TRP CD2 . . . . . . . . . rr_2dx4 1 . 4 . 1142 . 1 1 16 TRP CE2 C 6.544 0.660 0.389 . . . 1.0 . . . . . . . . . . . . A . 16 TRP CE2 . . . . . . . . . rr_2dx4 1 . 4 . 1143 . 1 1 16 TRP CE3 C 8.172 -1.110 0.047 . . . 1.0 . . . . . . . . . . . . A . 16 TRP CE3 . . . . . . . . . rr_2dx4 1 . 4 . 1144 . 1 1 16 TRP CG C 5.847 -1.385 1.144 . . . 1.0 . . . . . . . . . . . . A . 16 TRP CG . . . . . . . . . rr_2dx4 1 . 4 . 1145 . 1 1 16 TRP CH2 C 8.608 1.218 -0.653 . . . 1.0 . . . . . . . . . . . . A . 16 TRP CH2 . . . . . . . . . rr_2dx4 1 . 4 . 1146 . 1 1 16 TRP CZ2 C 7.358 1.642 -0.187 . . . 1.0 . . . . . . . . . . . . A . 16 TRP CZ2 . . . . . . . . . rr_2dx4 1 . 4 . 1147 . 1 1 16 TRP CZ3 C 8.975 -0.117 -0.526 . . . 1.0 . . . . . . . . . . . . A . 16 TRP CZ3 . . . . . . . . . rr_2dx4 1 . 4 . 1148 . 1 1 16 TRP H H 4.355 -3.071 -0.557 . . . 1.0 . . . . . . . . . . . . A . 16 TRP H . . . . . . . . . rr_2dx4 1 . 4 . 1149 . 1 1 16 TRP HA H 7.132 -3.553 -0.050 . . . 1.0 . . . . . . . . . . . . A . 16 TRP HA . . . . . . . . . rr_2dx4 1 . 4 . 1150 . 1 1 16 TRP HB2 H 4.846 -3.134 1.884 . . . 1.0 . . . . . . . . . . . . A . 16 TRP HB2 . . . . . . . . . rr_2dx4 1 . 4 . 1151 . 1 1 16 TRP HB3 H 6.556 -3.075 2.263 . . . 1.0 . . . . . . . . . . . . A . 16 TRP HB3 . . . . . . . . . rr_2dx4 1 . 4 . 1152 . 1 1 16 TRP HD1 H 3.935 -0.694 1.847 . . . 1.0 . . . . . . . . . . . . A . 16 TRP HD1 . . . . . . . . . rr_2dx4 1 . 4 . 1153 . 1 1 16 TRP HE1 H 4.678 1.691 0.997 . . . 1.0 . . . . . . . . . . . . A . 16 TRP HE1 . . . . . . . . . rr_2dx4 1 . 4 . 1154 . 1 1 16 TRP HE3 H 8.494 -2.148 0.129 . . . 1.0 . . . . . . . . . . . . A . 16 TRP HE3 . . . . . . . . . rr_2dx4 1 . 4 . 1155 . 1 1 16 TRP HH2 H 9.292 1.932 -1.113 . . . 1.0 . . . . . . . . . . . . A . 16 TRP HH2 . . . . . . . . . rr_2dx4 1 . 4 . 1156 . 1 1 16 TRP HZ2 H 7.036 2.680 -0.269 . . . 1.0 . . . . . . . . . . . . A . 16 TRP HZ2 . . . . . . . . . rr_2dx4 1 . 4 . 1157 . 1 1 16 TRP HZ3 H 9.956 -0.411 -0.900 . . . 1.0 . . . . . . . . . . . . A . 16 TRP HZ3 . . . . . . . . . rr_2dx4 1 . 4 . 1158 . 1 1 16 TRP N N 5.214 -3.513 -0.817 . . . 1.0 . . . . . . . . . . . . A . 16 TRP N . . . . . . . . . rr_2dx4 1 . 4 . 1159 . 1 1 16 TRP NE1 N 5.269 0.778 0.932 . . . 1.0 . . . . . . . . . . . . A . 16 TRP NE1 . . . . . . . . . rr_2dx4 1 . 4 . 1160 . 1 1 16 TRP O O 5.575 -6.075 -0.199 . . . 1.0 . . . . . . . . . . . . A . 16 TRP O . . . . . . . . . rr_2dx4 1 . 4 . 1161 . 1 1 17 THR C C 6.010 -7.034 3.785 . . . 1.0 . . . . . . . . . . . . A . 17 THR C . . . . . . . . . rr_2dx4 1 . 4 . 1162 . 1 1 17 THR CA C 6.383 -6.979 2.302 . . . 1.0 . . . . . . . . . . . . A . 17 THR CA . . . . . . . . . rr_2dx4 1 . 4 . 1163 . 1 1 17 THR CB C 7.735 -7.624 1.992 . . . 1.0 . . . . . . . . . . . . A . 17 THR CB . . . . . . . . . rr_2dx4 1 . 4 . 1164 . 1 1 17 THR CG2 C 8.177 -7.390 0.546 . . . 1.0 . . . . . . . . . . . . A . 17 THR CG2 . . . . . . . . . rr_2dx4 1 . 4 . 1165 . 1 1 17 THR H H 6.783 -4.945 2.507 . . . 1.0 . . . . . . . . . . . . A . 17 THR H . . . . . . . . . rr_2dx4 1 . 4 . 1166 . 1 1 17 THR HA H 5.597 -7.499 1.755 . . . 1.0 . . . . . . . . . . . . A . 17 THR HA . . . . . . . . . rr_2dx4 1 . 4 . 1167 . 1 1 17 THR HB H 7.722 -8.688 2.228 . . . 1.0 . . . . . . . . . . . . A . 17 THR HB . . . . . . . . . rr_2dx4 1 . 4 . 1168 . 1 1 17 THR HG1 H 9.562 -7.310 2.745 . . . 1.0 . . . . . . . . . . . . A . 17 THR HG1 . . . . . . . . . rr_2dx4 1 . 4 . 1169 . 1 1 17 THR HG21 H 8.437 -6.340 0.410 . . . 1.0 . . . . . . . . . . . . A . 17 THR HG21 . . . . . . . . . rr_2dx4 1 . 4 . 1170 . 1 1 17 THR HG22 H 9.046 -8.011 0.326 . . . 1.0 . . . . . . . . . . . . A . 17 THR HG22 . . . . . . . . . rr_2dx4 1 . 4 . 1171 . 1 1 17 THR HG23 H 7.363 -7.653 -0.130 . . . 1.0 . . . . . . . . . . . . A . 17 THR HG23 . . . . . . . . . rr_2dx4 1 . 4 . 1172 . 1 1 17 THR N N 6.426 -5.601 1.842 . . . 1.0 . . . . . . . . . . . . A . 17 THR N . . . . . . . . . rr_2dx4 1 . 4 . 1173 . 1 1 17 THR O O 6.709 -6.472 4.626 . . . 1.0 . . . . . . . . . . . . A . 17 THR O . . . . . . . . . rr_2dx4 1 . 4 . 1174 . 1 1 17 THR OG1 O 8.665 -6.870 2.765 . . . 1.0 . . . . . . . . . . . . A . 17 THR OG1 . . . . . . . . . rr_2dx4 1 . 4 . 1175 . 1 1 18 ALA C C 5.628 -8.070 6.357 . . . 1.0 . . . . . . . . . . . . A . 18 ALA C . . . . . . . . . rr_2dx4 1 . 4 . 1176 . 1 1 18 ALA CA C 4.433 -7.854 5.426 . . . 1.0 . . . . . . . . . . . . A . 18 ALA CA . . . . . . . . . rr_2dx4 1 . 4 . 1177 . 1 1 18 ALA CB C 3.420 -8.997 5.503 . . . 1.0 . . . . . . . . . . . . A . 18 ALA CB . . . . . . . . . rr_2dx4 1 . 4 . 1178 . 1 1 18 ALA H H 4.345 -8.172 3.369 . . . 1.0 . . . . . . . . . . . . A . 18 ALA H . . . . . . . . . rr_2dx4 1 . 4 . 1179 . 1 1 18 ALA HA H 3.934 -6.924 5.698 . . . 1.0 . . . . . . . . . . . . A . 18 ALA HA . . . . . . . . . rr_2dx4 1 . 4 . 1180 . 1 1 18 ALA HB1 H 2.411 -8.596 5.404 . . . 1.0 . . . . . . . . . . . . A . 18 ALA HB1 . . . . . . . . . rr_2dx4 1 . 4 . 1181 . 1 1 18 ALA HB2 H 3.610 -9.706 4.697 . . . 1.0 . . . . . . . . . . . . A . 18 ALA HB2 . . . . . . . . . rr_2dx4 1 . 4 . 1182 . 1 1 18 ALA HB3 H 3.517 -9.505 6.463 . . . 1.0 . . . . . . . . . . . . A . 18 ALA HB3 . . . . . . . . . rr_2dx4 1 . 4 . 1183 . 1 1 18 ALA N N 4.908 -7.717 4.060 . . . 1.0 . . . . . . . . . . . . A . 18 ALA N . . . . . . . . . rr_2dx4 1 . 4 . 1184 . 1 1 18 ALA O O 5.592 -7.672 7.521 . . . 1.0 . . . . . . . . . . . . A . 18 ALA O . . . . . . . . . rr_2dx4 1 . 5 . 1185 . 1 1 1 ILE C C 2.518 -4.534 6.737 . . . 1.0 . . . . . . . . . . . . A . 1 ILE C . . . . . . . . . rr_2dx4 1 . 5 . 1186 . 1 1 1 ILE CA C 2.863 -4.505 8.228 . . . 1.0 . . . . . . . . . . . . A . 1 ILE CA . . . . . . . . . rr_2dx4 1 . 5 . 1187 . 1 1 1 ILE CB C 4.228 -5.113 8.555 . . . 1.0 . . . . . . . . . . . . A . 1 ILE CB . . . . . . . . . rr_2dx4 1 . 5 . 1188 . 1 1 1 ILE CD1 C 5.034 -6.629 10.402 . . . 1.0 . . . . . . . . . . . . A . 1 ILE CD1 . . . . . . . . . rr_2dx4 1 . 5 . 1189 . 1 1 1 ILE CG1 C 4.409 -5.273 10.066 . . . 1.0 . . . . . . . . . . . . A . 1 ILE CG1 . . . . . . . . . rr_2dx4 1 . 5 . 1190 . 1 1 1 ILE CG2 C 5.358 -4.295 7.925 . . . 1.0 . . . . . . . . . . . . A . 1 ILE CG2 . . . . . . . . . rr_2dx4 1 . 5 . 1191 . 1 1 1 ILE H1 H 1.481 -4.677 9.777 . . . 1.0 . . . . . . . . . . . . A . 1 ILE H1 . . . . . . . . . rr_2dx4 1 . 5 . 1192 . 1 1 1 ILE HA H 2.886 -3.466 8.556 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HA . . . . . . . . . rr_2dx4 1 . 5 . 1193 . 1 1 1 ILE HB H 4.271 -6.111 8.118 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HB . . . . . . . . . rr_2dx4 1 . 5 . 1194 . 1 1 1 ILE HD11 H 4.244 -7.356 10.588 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HD11 . . . . . . . . . rr_2dx4 1 . 5 . 1195 . 1 1 1 ILE HD12 H 5.647 -6.964 9.566 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HD12 . . . . . . . . . rr_2dx4 1 . 5 . 1196 . 1 1 1 ILE HD13 H 5.655 -6.531 11.293 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HD13 . . . . . . . . . rr_2dx4 1 . 5 . 1197 . 1 1 1 ILE HG12 H 5.043 -4.472 10.446 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HG12 . . . . . . . . . rr_2dx4 1 . 5 . 1198 . 1 1 1 ILE HG13 H 3.444 -5.179 10.563 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HG13 . . . . . . . . . rr_2dx4 1 . 5 . 1199 . 1 1 1 ILE HG21 H 5.934 -4.930 7.252 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HG21 . . . . . . . . . rr_2dx4 1 . 5 . 1200 . 1 1 1 ILE HG22 H 4.934 -3.462 7.365 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HG22 . . . . . . . . . rr_2dx4 1 . 5 . 1201 . 1 1 1 ILE HG23 H 6.009 -3.911 8.710 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HG23 . . . . . . . . . rr_2dx4 1 . 5 . 1202 . 1 1 1 ILE N N 1.814 -5.176 8.977 . . . 1.0 . . . . . . . . . . . . A . 1 ILE N . . . . . . . . . rr_2dx4 1 . 5 . 1203 . 1 1 1 ILE O O 3.387 -4.329 5.891 . . . 1.0 . . . . . . . . . . . . A . 1 ILE O . . . . . . . . . rr_2dx4 1 . 5 . 1204 . 1 1 2 ASN C C -0.154 -3.665 4.822 . . . 1.0 . . . . . . . . . . . . A . 2 ASN C . . . . . . . . . rr_2dx4 1 . 5 . 1205 . 1 1 2 ASN CA C 0.777 -4.850 5.088 . . . 1.0 . . . . . . . . . . . . A . 2 ASN CA . . . . . . . . . rr_2dx4 1 . 5 . 1206 . 1 1 2 ASN CB C -0.010 -6.136 4.830 . . . 1.0 . . . . . . . . . . . . A . 2 ASN CB . . . . . . . . . rr_2dx4 1 . 5 . 1207 . 1 1 2 ASN CG C -0.647 -6.120 3.440 . . . 1.0 . . . . . . . . . . . . A . 2 ASN CG . . . . . . . . . rr_2dx4 1 . 5 . 1208 . 1 1 2 ASN H H 0.547 -4.956 7.156 . . . 1.0 . . . . . . . . . . . . A . 2 ASN H . . . . . . . . . rr_2dx4 1 . 5 . 1209 . 1 1 2 ASN HA H 1.677 -4.819 4.475 . . . 1.0 . . . . . . . . . . . . A . 2 ASN HA . . . . . . . . . rr_2dx4 1 . 5 . 1210 . 1 1 2 ASN HB2 H 0.653 -6.997 4.921 . . . 1.0 . . . . . . . . . . . . A . 2 ASN HB2 . . . . . . . . . rr_2dx4 1 . 5 . 1211 . 1 1 2 ASN HB3 H -0.785 -6.251 5.588 . . . 1.0 . . . . . . . . . . . . A . 2 ASN HB3 . . . . . . . . . rr_2dx4 1 . 5 . 1212 . 1 1 2 ASN HD21 H 1.211 -6.201 2.639 . . . 1.0 . . . . . . . . . . . . A . 2 ASN HD21 . . . . . . . . . rr_2dx4 1 . 5 . 1213 . 1 1 2 ASN HD22 H -0.088 -6.156 1.494 . . . 1.0 . . . . . . . . . . . . A . 2 ASN HD22 . . . . . . . . . rr_2dx4 1 . 5 . 1214 . 1 1 2 ASN N N 1.247 -4.791 6.462 . . . 1.0 . . . . . . . . . . . . A . 2 ASN N . . . . . . . . . rr_2dx4 1 . 5 . 1215 . 1 1 2 ASN ND2 N 0.231 -6.163 2.442 . . . 1.0 . . . . . . . . . . . . A . 2 ASN ND2 . . . . . . . . . rr_2dx4 1 . 5 . 1216 . 1 1 2 ASN O O -1.369 -3.834 4.730 . . . 1.0 . . . . . . . . . . . . A . 2 ASN O . . . . . . . . . rr_2dx4 1 . 5 . 1217 . 1 1 2 ASN OD1 O -1.856 -6.072 3.283 . . . 1.0 . . . . . . . . . . . . A . 2 ASN OD1 . . . . . . . . . rr_2dx4 1 . 5 . 1218 . 1 1 3 TYR C C -0.487 -1.050 2.948 . . . 1.0 . . . . . . . . . . . . A . 3 TYR C . . . . . . . . . rr_2dx4 1 . 5 . 1219 . 1 1 3 TYR CA C -0.308 -1.280 4.450 . . . 1.0 . . . . . . . . . . . . A . 3 TYR CA . . . . . . . . . rr_2dx4 1 . 5 . 1220 . 1 1 3 TYR CB C 0.519 -0.134 5.034 . . . 1.0 . . . . . . . . . . . . A . 3 TYR CB . . . . . . . . . rr_2dx4 1 . 5 . 1221 . 1 1 3 TYR CD1 C 0.251 -0.374 7.530 . . . 1.0 . . . . . . . . . . . . A . 3 TYR CD1 . . . . . . . . . rr_2dx4 1 . 5 . 1222 . 1 1 3 TYR CD2 C 2.418 -0.724 6.584 . . . 1.0 . . . . . . . . . . . . A . 3 TYR CD2 . . . . . . . . . rr_2dx4 1 . 5 . 1223 . 1 1 3 TYR CE1 C 0.780 -0.643 8.842 . . . 1.0 . . . . . . . . . . . . A . 3 TYR CE1 . . . . . . . . . rr_2dx4 1 . 5 . 1224 . 1 1 3 TYR CE2 C 2.947 -0.993 7.896 . . . 1.0 . . . . . . . . . . . . A . 3 TYR CE2 . . . . . . . . . rr_2dx4 1 . 5 . 1225 . 1 1 3 TYR CG C 1.081 -0.420 6.428 . . . 1.0 . . . . . . . . . . . . A . 3 TYR CG . . . . . . . . . rr_2dx4 1 . 5 . 1226 . 1 1 3 TYR CZ C 2.102 -0.939 8.960 . . . 1.0 . . . . . . . . . . . . A . 3 TYR CZ . . . . . . . . . rr_2dx4 1 . 5 . 1227 . 1 1 3 TYR H H 1.440 -2.364 4.780 . . . 1.0 . . . . . . . . . . . . A . 3 TYR H . . . . . . . . . rr_2dx4 1 . 5 . 1228 . 1 1 3 TYR HA H -1.289 -1.394 4.912 . . . 1.0 . . . . . . . . . . . . A . 3 TYR HA . . . . . . . . . rr_2dx4 1 . 5 . 1229 . 1 1 3 TYR HB2 H 1.346 0.086 4.358 . . . 1.0 . . . . . . . . . . . . A . 3 TYR HB2 . . . . . . . . . rr_2dx4 1 . 5 . 1230 . 1 1 3 TYR HB3 H -0.100 0.762 5.080 . . . 1.0 . . . . . . . . . . . . A . 3 TYR HB3 . . . . . . . . . rr_2dx4 1 . 5 . 1231 . 1 1 3 TYR HD1 H -0.805 -0.133 7.407 . . . 1.0 . . . . . . . . . . . . A . 3 TYR HD1 . . . . . . . . . rr_2dx4 1 . 5 . 1232 . 1 1 3 TYR HD2 H 3.074 -0.760 5.714 . . . 1.0 . . . . . . . . . . . . A . 3 TYR HD2 . . . . . . . . . rr_2dx4 1 . 5 . 1233 . 1 1 3 TYR HE1 H 0.135 -0.610 9.720 . . . 1.0 . . . . . . . . . . . . A . 3 TYR HE1 . . . . . . . . . rr_2dx4 1 . 5 . 1234 . 1 1 3 TYR HE2 H 4.001 -1.234 8.034 . . . 1.0 . . . . . . . . . . . . A . 3 TYR HE2 . . . . . . . . . rr_2dx4 1 . 5 . 1235 . 1 1 3 TYR HH H 2.923 -2.139 10.251 . . . 1.0 . . . . . . . . . . . . A . 3 TYR HH . . . . . . . . . rr_2dx4 1 . 5 . 1236 . 1 1 3 TYR N N 0.451 -2.492 4.704 . . . 1.0 . . . . . . . . . . . . A . 3 TYR N . . . . . . . . . rr_2dx4 1 . 5 . 1237 . 1 1 3 TYR O O -0.440 0.087 2.480 . . . 1.0 . . . . . . . . . . . . A . 3 TYR O . . . . . . . . . rr_2dx4 1 . 5 . 1238 . 1 1 3 TYR OH O 2.602 -1.193 10.200 . . . 1.0 . . . . . . . . . . . . A . 3 TYR OH . . . . . . . . . rr_2dx4 1 . 5 . 1239 . 1 1 4 TRP C C -1.905 -0.990 0.501 . . . 1.0 . . . . . . . . . . . . A . 4 TRP C . . . . . . . . . rr_2dx4 1 . 5 . 1240 . 1 1 4 TRP CA C -0.872 -2.080 0.794 . . . 1.0 . . . . . . . . . . . . A . 4 TRP CA . . . . . . . . . rr_2dx4 1 . 5 . 1241 . 1 1 4 TRP CB C -1.268 -3.445 0.227 . . . 1.0 . . . . . . . . . . . . A . 4 TRP CB . . . . . . . . . rr_2dx4 1 . 5 . 1242 . 1 1 4 TRP CD1 C 0.183 -2.999 -1.860 . . . 1.0 . . . . . . . . . . . . A . 4 TRP CD1 . . . . . . . . . rr_2dx4 1 . 5 . 1243 . 1 1 4 TRP CD2 C -0.661 -5.047 -1.803 . . . 1.0 . . . . . . . . . . . . A . 4 TRP CD2 . . . . . . . . . rr_2dx4 1 . 5 . 1244 . 1 1 4 TRP CE2 C 0.087 -4.941 -2.958 . . . 1.0 . . . . . . . . . . . . A . 4 TRP CE2 . . . . . . . . . rr_2dx4 1 . 5 . 1245 . 1 1 4 TRP CE3 C -1.333 -6.237 -1.472 . . . 1.0 . . . . . . . . . . . . A . 4 TRP CE3 . . . . . . . . . rr_2dx4 1 . 5 . 1246 . 1 1 4 TRP CG C -0.591 -3.787 -1.102 . . . 1.0 . . . . . . . . . . . . A . 4 TRP CG . . . . . . . . . rr_2dx4 1 . 5 . 1247 . 1 1 4 TRP CH2 C -0.427 -7.183 -3.566 . . . 1.0 . . . . . . . . . . . . A . 4 TRP CH2 . . . . . . . . . rr_2dx4 1 . 5 . 1248 . 1 1 4 TRP CZ2 C 0.233 -5.988 -3.875 . . . 1.0 . . . . . . . . . . . . A . 4 TRP CZ2 . . . . . . . . . rr_2dx4 1 . 5 . 1249 . 1 1 4 TRP CZ3 C -1.176 -7.274 -2.399 . . . 1.0 . . . . . . . . . . . . A . 4 TRP CZ3 . . . . . . . . . rr_2dx4 1 . 5 . 1250 . 1 1 4 TRP H H -0.723 -3.069 2.621 . . . 1.0 . . . . . . . . . . . . A . 4 TRP H . . . . . . . . . rr_2dx4 1 . 5 . 1251 . 1 1 4 TRP HA H 0.086 -1.816 0.346 . . . 1.0 . . . . . . . . . . . . A . 4 TRP HA . . . . . . . . . rr_2dx4 1 . 5 . 1252 . 1 1 4 TRP HB2 H -1.021 -4.216 0.958 . . . 1.0 . . . . . . . . . . . . A . 4 TRP HB2 . . . . . . . . . rr_2dx4 1 . 5 . 1253 . 1 1 4 TRP HB3 H -2.349 -3.471 0.090 . . . 1.0 . . . . . . . . . . . . A . 4 TRP HB3 . . . . . . . . . rr_2dx4 1 . 5 . 1254 . 1 1 4 TRP HD1 H 0.439 -1.969 -1.613 . . . 1.0 . . . . . . . . . . . . A . 4 TRP HD1 . . . . . . . . . rr_2dx4 1 . 5 . 1255 . 1 1 4 TRP HE1 H 1.256 -3.243 -3.774 . . . 1.0 . . . . . . . . . . . . A . 4 TRP HE1 . . . . . . . . . rr_2dx4 1 . 5 . 1256 . 1 1 4 TRP HE3 H -1.929 -6.345 -0.566 . . . 1.0 . . . . . . . . . . . . A . 4 TRP HE3 . . . . . . . . . rr_2dx4 1 . 5 . 1257 . 1 1 4 TRP HH2 H -0.355 -8.038 -4.238 . . . 1.0 . . . . . . . . . . . . A . 4 TRP HH2 . . . . . . . . . rr_2dx4 1 . 5 . 1258 . 1 1 4 TRP HZ2 H 0.830 -5.879 -4.781 . . . 1.0 . . . . . . . . . . . . A . 4 TRP HZ2 . . . . . . . . . rr_2dx4 1 . 5 . 1259 . 1 1 4 TRP HZ3 H -1.677 -8.219 -2.191 . . . 1.0 . . . . . . . . . . . . A . 4 TRP HZ3 . . . . . . . . . rr_2dx4 1 . 5 . 1260 . 1 1 4 TRP N N -0.687 -2.148 2.233 . . . 1.0 . . . . . . . . . . . . A . 4 TRP N . . . . . . . . . rr_2dx4 1 . 5 . 1261 . 1 1 4 TRP NE1 N 0.616 -3.656 -2.994 . . . 1.0 . . . . . . . . . . . . A . 4 TRP NE1 . . . . . . . . . rr_2dx4 1 . 5 . 1262 . 1 1 4 TRP O O -1.546 0.123 0.118 . . . 1.0 . . . . . . . . . . . . A . 4 TRP O . . . . . . . . . rr_2dx4 1 . 5 . 1263 . 1 1 5 LEU C C -4.288 -0.046 -1.032 . . . 1.0 . . . . . . . . . . . . A . 5 LEU C . . . . . . . . . rr_2dx4 1 . 5 . 1264 . 1 1 5 LEU CA C -4.253 -0.412 0.453 . . . 1.0 . . . . . . . . . . . . A . 5 LEU CA . . . . . . . . . rr_2dx4 1 . 5 . 1265 . 1 1 5 LEU CB C -4.134 0.797 1.382 . . . 1.0 . . . . . . . . . . . . A . 5 LEU CB . . . . . . . . . rr_2dx4 1 . 5 . 1266 . 1 1 5 LEU CD1 C -4.269 2.835 -0.098 . . . 1.0 . . . . . . . . . . . . A . 5 LEU CD1 . . . . . . . . . rr_2dx4 1 . 5 . 1267 . 1 1 5 LEU CD2 C -6.385 1.620 0.597 . . . 1.0 . . . . . . . . . . . . A . 5 LEU CD2 . . . . . . . . . rr_2dx4 1 . 5 . 1268 . 1 1 5 LEU CG C -4.964 2.023 0.997 . . . 1.0 . . . . . . . . . . . . A . 5 LEU CG . . . . . . . . . rr_2dx4 1 . 5 . 1269 . 1 1 5 LEU H H -3.450 -2.254 1.003 . . . 1.0 . . . . . . . . . . . . A . 5 LEU H . . . . . . . . . rr_2dx4 1 . 5 . 1270 . 1 1 5 LEU HA H -5.183 -0.922 0.705 . . . 1.0 . . . . . . . . . . . . A . 5 LEU HA . . . . . . . . . rr_2dx4 1 . 5 . 1271 . 1 1 5 LEU HB2 H -4.422 0.488 2.387 . . . 1.0 . . . . . . . . . . . . A . 5 LEU HB2 . . . . . . . . . rr_2dx4 1 . 5 . 1272 . 1 1 5 LEU HB3 H -3.086 1.093 1.428 . . . 1.0 . . . . . . . . . . . . A . 5 LEU HB3 . . . . . . . . . rr_2dx4 1 . 5 . 1273 . 1 1 5 LEU HD11 H -3.978 3.807 0.300 . . . 1.0 . . . . . . . . . . . . A . 5 LEU HD11 . . . . . . . . . rr_2dx4 1 . 5 . 1274 . 1 1 5 LEU HD12 H -3.382 2.301 -0.438 . . . 1.0 . . . . . . . . . . . . A . 5 LEU HD12 . . . . . . . . . rr_2dx4 1 . 5 . 1275 . 1 1 5 LEU HD13 H -4.952 2.975 -0.935 . . . 1.0 . . . . . . . . . . . . A . 5 LEU HD13 . . . . . . . . . rr_2dx4 1 . 5 . 1276 . 1 1 5 LEU HD21 H -6.595 1.981 -0.409 . . . 1.0 . . . . . . . . . . . . A . 5 LEU HD21 . . . . . . . . . rr_2dx4 1 . 5 . 1277 . 1 1 5 LEU HD22 H -6.474 0.534 0.619 . . . 1.0 . . . . . . . . . . . . A . 5 LEU HD22 . . . . . . . . . rr_2dx4 1 . 5 . 1278 . 1 1 5 LEU HD23 H -7.097 2.057 1.297 . . . 1.0 . . . . . . . . . . . . A . 5 LEU HD23 . . . . . . . . . rr_2dx4 1 . 5 . 1279 . 1 1 5 LEU HG H -5.047 2.668 1.872 . . . 1.0 . . . . . . . . . . . . A . 5 LEU HG . . . . . . . . . rr_2dx4 1 . 5 . 1280 . 1 1 5 LEU N N -3.166 -1.347 0.692 . . . 1.0 . . . . . . . . . . . . A . 5 LEU N . . . . . . . . . rr_2dx4 1 . 5 . 1281 . 1 1 5 LEU O O -5.024 0.853 -1.436 . . . 1.0 . . . . . . . . . . . . A . 5 LEU O . . . . . . . . . rr_2dx4 1 . 5 . 1282 . 1 1 6 ALA C C -4.816 -0.233 -3.770 . . . 1.0 . . . . . . . . . . . . A . 6 ALA C . . . . . . . . . rr_2dx4 1 . 5 . 1283 . 1 1 6 ALA CA C -3.412 -0.522 -3.236 . . . 1.0 . . . . . . . . . . . . A . 6 ALA CA . . . . . . . . . rr_2dx4 1 . 5 . 1284 . 1 1 6 ALA CB C -2.764 -1.726 -3.923 . . . 1.0 . . . . . . . . . . . . A . 6 ALA CB . . . . . . . . . rr_2dx4 1 . 5 . 1285 . 1 1 6 ALA H H -2.887 -1.490 -1.467 . . . 1.0 . . . . . . . . . . . . A . 6 ALA H . . . . . . . . . rr_2dx4 1 . 5 . 1286 . 1 1 6 ALA HA H -2.784 0.354 -3.395 . . . 1.0 . . . . . . . . . . . . A . 6 ALA HA . . . . . . . . . rr_2dx4 1 . 5 . 1287 . 1 1 6 ALA HB1 H -2.660 -1.523 -4.988 . . . 1.0 . . . . . . . . . . . . A . 6 ALA HB1 . . . . . . . . . rr_2dx4 1 . 5 . 1288 . 1 1 6 ALA HB2 H -1.780 -1.905 -3.489 . . . 1.0 . . . . . . . . . . . . A . 6 ALA HB2 . . . . . . . . . rr_2dx4 1 . 5 . 1289 . 1 1 6 ALA HB3 H -3.390 -2.607 -3.779 . . . 1.0 . . . . . . . . . . . . A . 6 ALA HB3 . . . . . . . . . rr_2dx4 1 . 5 . 1290 . 1 1 6 ALA N N -3.483 -0.761 -1.804 . . . 1.0 . . . . . . . . . . . . A . 6 ALA N . . . . . . . . . rr_2dx4 1 . 5 . 1291 . 1 1 6 ALA O O -5.641 -1.139 -3.882 . . . 1.0 . . . . . . . . . . . . A . 6 ALA O . . . . . . . . . rr_2dx4 1 . 5 . 1292 . 1 1 7 HIS C C -6.167 2.738 -5.420 . . . 1.0 . . . . . . . . . . . . A . 7 HIS C . . . . . . . . . rr_2dx4 1 . 5 . 1293 . 1 1 7 HIS CA C -6.335 1.454 -4.605 . . . 1.0 . . . . . . . . . . . . A . 7 HIS CA . . . . . . . . . rr_2dx4 1 . 5 . 1294 . 1 1 7 HIS CB C -7.356 1.600 -3.474 . . . 1.0 . . . . . . . . . . . . A . 7 HIS CB . . . . . . . . . rr_2dx4 1 . 5 . 1295 . 1 1 7 HIS CD2 C -7.353 4.018 -2.483 . . . 1.0 . . . . . . . . . . . . A . 7 HIS CD2 . . . . . . . . . rr_2dx4 1 . 5 . 1296 . 1 1 7 HIS CE1 C -9.127 4.779 -3.513 . . . 1.0 . . . . . . . . . . . . A . 7 HIS CE1 . . . . . . . . . rr_2dx4 1 . 5 . 1297 . 1 1 7 HIS CG C -7.843 3.013 -3.264 . . . 1.0 . . . . . . . . . . . . A . 7 HIS CG . . . . . . . . . rr_2dx4 1 . 5 . 1298 . 1 1 7 HIS H H -4.369 1.765 -3.991 . . . 1.0 . . . . . . . . . . . . A . 7 HIS H . . . . . . . . . rr_2dx4 1 . 5 . 1299 . 1 1 7 HIS HA H -6.682 0.658 -5.264 . . . 1.0 . . . . . . . . . . . . A . 7 HIS HA . . . . . . . . . rr_2dx4 1 . 5 . 1300 . 1 1 7 HIS HB2 H -8.211 0.959 -3.685 . . . 1.0 . . . . . . . . . . . . A . 7 HIS HB2 . . . . . . . . . rr_2dx4 1 . 5 . 1301 . 1 1 7 HIS HB3 H -6.909 1.239 -2.547 . . . 1.0 . . . . . . . . . . . . A . 7 HIS HB3 . . . . . . . . . rr_2dx4 1 . 5 . 1302 . 1 1 7 HIS HD1 H -9.545 3.027 -4.544 . . . 1.0 . . . . . . . . . . . . A . 7 HIS HD1 . . . . . . . . . rr_2dx4 1 . 5 . 1303 . 1 1 7 HIS HD2 H -6.473 3.956 -1.842 . . . 1.0 . . . . . . . . . . . . A . 7 HIS HD2 . . . . . . . . . rr_2dx4 1 . 5 . 1304 . 1 1 7 HIS HE1 H -9.922 5.450 -3.839 . . . 1.0 . . . . . . . . . . . . A . 7 HIS HE1 . . . . . . . . . rr_2dx4 1 . 5 . 1305 . 1 1 7 HIS HE2 H -8.036 5.947 -2.138 . . . 1.0 . . . . . . . . . . . . A . 7 HIS HE2 . . . . . . . . . rr_2dx4 1 . 5 . 1306 . 1 1 7 HIS N N -5.045 1.034 -4.085 . . . 1.0 . . . . . . . . . . . . A . 7 HIS N . . . . . . . . . rr_2dx4 1 . 5 . 1307 . 1 1 7 HIS ND1 N -8.961 3.523 -3.901 . . . 1.0 . . . . . . . . . . . . A . 7 HIS ND1 . . . . . . . . . rr_2dx4 1 . 5 . 1308 . 1 1 7 HIS NE2 N -8.129 5.084 -2.635 . . . 1.0 . . . . . . . . . . . . A . 7 HIS NE2 . . . . . . . . . rr_2dx4 1 . 5 . 1309 . 1 1 7 HIS O O -6.440 2.756 -6.619 . . . 1.0 . . . . . . . . . . . . A . 7 HIS O . . . . . . . . . rr_2dx4 1 . 5 . 1310 . 1 1 8 ALA C C -4.943 6.057 -4.364 . . . 1.0 . . . . . . . . . . . . A . 8 ALA C . . . . . . . . . rr_2dx4 1 . 5 . 1311 . 1 1 8 ALA CA C -5.509 5.065 -5.382 . . . 1.0 . . . . . . . . . . . . A . 8 ALA CA . . . . . . . . . rr_2dx4 1 . 5 . 1312 . 1 1 8 ALA CB C -6.825 5.547 -5.996 . . . 1.0 . . . . . . . . . . . . A . 8 ALA CB . . . . . . . . . rr_2dx4 1 . 5 . 1313 . 1 1 8 ALA H H -5.498 3.756 -3.761 . . . 1.0 . . . . . . . . . . . . A . 8 ALA H . . . . . . . . . rr_2dx4 1 . 5 . 1314 . 1 1 8 ALA HA H -4.781 4.921 -6.180 . . . 1.0 . . . . . . . . . . . . A . 8 ALA HA . . . . . . . . . rr_2dx4 1 . 5 . 1315 . 1 1 8 ALA HB1 H -7.608 5.530 -5.238 . . . 1.0 . . . . . . . . . . . . A . 8 ALA HB1 . . . . . . . . . rr_2dx4 1 . 5 . 1316 . 1 1 8 ALA HB2 H -6.701 6.564 -6.367 . . . 1.0 . . . . . . . . . . . . A . 8 ALA HB2 . . . . . . . . . rr_2dx4 1 . 5 . 1317 . 1 1 8 ALA HB3 H -7.103 4.891 -6.821 . . . 1.0 . . . . . . . . . . . . A . 8 ALA HB3 . . . . . . . . . rr_2dx4 1 . 5 . 1318 . 1 1 8 ALA N N -5.717 3.780 -4.736 . . . 1.0 . . . . . . . . . . . . A . 8 ALA N . . . . . . . . . rr_2dx4 1 . 5 . 1319 . 1 1 8 ALA O O -3.768 5.983 -4.008 . . . 1.0 . . . . . . . . . . . . A . 8 ALA O . . . . . . . . . rr_2dx4 1 . 5 . 1320 . 1 1 9 LYS C C -3.956 8.377 -3.219 . . . 1.0 . . . . . . . . . . . . A . 9 LYS C . . . . . . . . . rr_2dx4 1 . 5 . 1321 . 1 1 9 LYS CA C -5.406 7.966 -2.953 . . . 1.0 . . . . . . . . . . . . A . 9 LYS CA . . . . . . . . . rr_2dx4 1 . 5 . 1322 . 1 1 9 LYS CB C -5.652 7.464 -1.529 . . . 1.0 . . . . . . . . . . . . A . 9 LYS CB . . . . . . . . . rr_2dx4 1 . 5 . 1323 . 1 1 9 LYS CD C -6.589 9.294 -0.068 . . . 1.0 . . . . . . . . . . . . A . 9 LYS CD . . . . . . . . . rr_2dx4 1 . 5 . 1324 . 1 1 9 LYS CE C -6.721 10.625 -0.810 . . . 1.0 . . . . . . . . . . . . A . 9 LYS CE . . . . . . . . . rr_2dx4 1 . 5 . 1325 . 1 1 9 LYS CG C -5.324 8.548 -0.501 . . . 1.0 . . . . . . . . . . . . A . 9 LYS CG . . . . . . . . . rr_2dx4 1 . 5 . 1326 . 1 1 9 LYS H H -6.760 7.014 -4.218 . . . 1.0 . . . . . . . . . . . . A . 9 LYS H . . . . . . . . . rr_2dx4 1 . 5 . 1327 . 1 1 9 LYS HA H -6.045 8.837 -3.103 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HA . . . . . . . . . rr_2dx4 1 . 5 . 1328 . 1 1 9 LYS HB2 H -6.692 7.158 -1.422 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HB2 . . . . . . . . . rr_2dx4 1 . 5 . 1329 . 1 1 9 LYS HB3 H -5.040 6.582 -1.340 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HB3 . . . . . . . . . rr_2dx4 1 . 5 . 1330 . 1 1 9 LYS HD2 H -7.464 8.675 -0.265 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HD2 . . . . . . . . . rr_2dx4 1 . 5 . 1331 . 1 1 9 LYS HD3 H -6.559 9.473 1.006 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HD3 . . . . . . . . . rr_2dx4 1 . 5 . 1332 . 1 1 9 LYS HE2 H -5.731 11.024 -1.032 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HE2 . . . . . . . . . rr_2dx4 1 . 5 . 1333 . 1 1 9 LYS HE3 H -7.223 10.468 -1.765 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HE3 . . . . . . . . . rr_2dx4 1 . 5 . 1334 . 1 1 9 LYS HG2 H -4.848 8.097 0.370 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HG2 . . . . . . . . . rr_2dx4 1 . 5 . 1335 . 1 1 9 LYS HG3 H -4.610 9.253 -0.926 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HG3 . . . . . . . . . rr_2dx4 1 . 5 . 1336 . 1 1 9 LYS HZ1 H -7.482 12.488 -0.453 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HZ1 . . . . . . . . . rr_2dx4 1 . 5 . 1337 . 1 1 9 LYS HZ2 H -8.425 11.279 0.109 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HZ2 . . . . . . . . . rr_2dx4 1 . 5 . 1338 . 1 1 9 LYS HZ3 H -7.058 11.685 0.904 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HZ3 . . . . . . . . . rr_2dx4 1 . 5 . 1339 . 1 1 9 LYS N N -5.805 6.961 -3.924 . . . 1.0 . . . . . . . . . . . . A . 9 LYS N . . . . . . . . . rr_2dx4 1 . 5 . 1340 . 1 1 9 LYS NZ N -7.484 11.598 0.003 . . . 1.0 . . . . . . . . . . . . A . 9 LYS NZ . . . . . . . . . rr_2dx4 1 . 5 . 1341 . 1 1 9 LYS O O -3.133 8.387 -2.305 . . . 1.0 . . . . . . . . . . . . A . 9 LYS O . . . . . . . . . rr_2dx4 1 . 5 . 1342 . 1 1 10 ALA C C -1.499 7.874 -5.136 . . . 1.0 . . . . . . . . . . . . A . 10 ALA C . . . . . . . . . rr_2dx4 1 . 5 . 1343 . 1 1 10 ALA CA C -2.352 9.117 -4.871 . . . 1.0 . . . . . . . . . . . . A . 10 ALA CA . . . . . . . . . rr_2dx4 1 . 5 . 1344 . 1 1 10 ALA CB C -1.752 10.016 -3.789 . . . 1.0 . . . . . . . . . . . . A . 10 ALA CB . . . . . . . . . rr_2dx4 1 . 5 . 1345 . 1 1 10 ALA H H -4.364 8.695 -5.211 . . . 1.0 . . . . . . . . . . . . A . 10 ALA H . . . . . . . . . rr_2dx4 1 . 5 . 1346 . 1 1 10 ALA HA H -2.442 9.689 -5.794 . . . 1.0 . . . . . . . . . . . . A . 10 ALA HA . . . . . . . . . rr_2dx4 1 . 5 . 1347 . 1 1 10 ALA HB1 H -2.550 10.561 -3.285 . . . 1.0 . . . . . . . . . . . . A . 10 ALA HB1 . . . . . . . . . rr_2dx4 1 . 5 . 1348 . 1 1 10 ALA HB2 H -1.216 9.404 -3.063 . . . 1.0 . . . . . . . . . . . . A . 10 ALA HB2 . . . . . . . . . rr_2dx4 1 . 5 . 1349 . 1 1 10 ALA HB3 H -1.061 10.724 -4.247 . . . 1.0 . . . . . . . . . . . . A . 10 ALA HB3 . . . . . . . . . rr_2dx4 1 . 5 . 1350 . 1 1 10 ALA N N -3.688 8.706 -4.474 . . . 1.0 . . . . . . . . . . . . A . 10 ALA N . . . . . . . . . rr_2dx4 1 . 5 . 1351 . 1 1 10 ALA O O -0.444 7.700 -4.528 . . . 1.0 . . . . . . . . . . . . A . 10 ALA O . . . . . . . . . rr_2dx4 1 . 5 . 1352 . 1 1 11 GLY C C -0.727 5.130 -5.152 . . . 1.0 . . . . . . . . . . . . A . 11 GLY C . . . . . . . . . rr_2dx4 1 . 5 . 1353 . 1 1 11 GLY CA C -1.283 5.822 -6.398 . . . 1.0 . . . . . . . . . . . . A . 11 GLY CA . . . . . . . . . rr_2dx4 1 . 5 . 1354 . 1 1 11 GLY H H -2.847 7.192 -6.535 . . . 1.0 . . . . . . . . . . . . A . 11 GLY H . . . . . . . . . rr_2dx4 1 . 5 . 1355 . 1 1 11 GLY HA2 H -1.959 5.147 -6.922 . . . 1.0 . . . . . . . . . . . . A . 11 GLY HA2 . . . . . . . . . rr_2dx4 1 . 5 . 1356 . 1 1 11 GLY HA3 H -0.469 6.054 -7.084 . . . 1.0 . . . . . . . . . . . . A . 11 GLY HA3 . . . . . . . . . rr_2dx4 1 . 5 . 1357 . 1 1 11 GLY N N -1.988 7.043 -6.045 . . . 1.0 . . . . . . . . . . . . A . 11 GLY N . . . . . . . . . rr_2dx4 1 . 5 . 1358 . 1 1 11 GLY O O 0.430 4.714 -5.134 . . . 1.0 . . . . . . . . . . . . A . 11 GLY O . . . . . . . . . rr_2dx4 1 . 5 . 1359 . 1 1 12 TYR C C -1.057 2.880 -3.065 . . . 1.0 . . . . . . . . . . . . A . 12 TYR C . . . . . . . . . rr_2dx4 1 . 5 . 1360 . 1 1 12 TYR CA C -1.185 4.395 -2.894 . . . 1.0 . . . . . . . . . . . . A . 12 TYR CA . . . . . . . . . rr_2dx4 1 . 5 . 1361 . 1 1 12 TYR CB C -2.308 4.691 -1.899 . . . 1.0 . . . . . . . . . . . . A . 12 TYR CB . . . . . . . . . rr_2dx4 1 . 5 . 1362 . 1 1 12 TYR CD1 C -0.946 3.698 -0.023 . . . 1.0 . . . . . . . . . . . . A . 12 TYR CD1 . . . . . . . . . rr_2dx4 1 . 5 . 1363 . 1 1 12 TYR CD2 C -2.404 5.524 0.479 . . . 1.0 . . . . . . . . . . . . A . 12 TYR CD2 . . . . . . . . . rr_2dx4 1 . 5 . 1364 . 1 1 12 TYR CE1 C -0.536 3.646 1.356 . . . 1.0 . . . . . . . . . . . . A . 12 TYR CE1 . . . . . . . . . rr_2dx4 1 . 5 . 1365 . 1 1 12 TYR CE2 C -1.994 5.472 1.858 . . . 1.0 . . . . . . . . . . . . A . 12 TYR CE2 . . . . . . . . . rr_2dx4 1 . 5 . 1366 . 1 1 12 TYR CG C -1.872 4.636 -0.433 . . . 1.0 . . . . . . . . . . . . A . 12 TYR CG . . . . . . . . . rr_2dx4 1 . 5 . 1367 . 1 1 12 TYR CZ C -1.080 4.536 2.229 . . . 1.0 . . . . . . . . . . . . A . 12 TYR CZ . . . . . . . . . rr_2dx4 1 . 5 . 1368 . 1 1 12 TYR H H -2.517 5.371 -4.164 . . . 1.0 . . . . . . . . . . . . A . 12 TYR H . . . . . . . . . rr_2dx4 1 . 5 . 1369 . 1 1 12 TYR HA H -0.218 4.802 -2.599 . . . 1.0 . . . . . . . . . . . . A . 12 TYR HA . . . . . . . . . rr_2dx4 1 . 5 . 1370 . 1 1 12 TYR HB2 H -2.715 5.680 -2.109 . . . 1.0 . . . . . . . . . . . . A . 12 TYR HB2 . . . . . . . . . rr_2dx4 1 . 5 . 1371 . 1 1 12 TYR HB3 H -3.115 3.975 -2.054 . . . 1.0 . . . . . . . . . . . . A . 12 TYR HB3 . . . . . . . . . rr_2dx4 1 . 5 . 1372 . 1 1 12 TYR HD1 H -0.526 2.996 -0.744 . . . 1.0 . . . . . . . . . . . . A . 12 TYR HD1 . . . . . . . . . rr_2dx4 1 . 5 . 1373 . 1 1 12 TYR HD2 H -3.136 6.265 0.156 . . . 1.0 . . . . . . . . . . . . A . 12 TYR HD2 . . . . . . . . . rr_2dx4 1 . 5 . 1374 . 1 1 12 TYR HE1 H 0.194 2.910 1.693 . . . 1.0 . . . . . . . . . . . . A . 12 TYR HE1 . . . . . . . . . rr_2dx4 1 . 5 . 1375 . 1 1 12 TYR HE2 H -2.406 6.168 2.589 . . . 1.0 . . . . . . . . . . . . A . 12 TYR HE2 . . . . . . . . . rr_2dx4 1 . 5 . 1376 . 1 1 12 TYR HH H 0.236 4.120 3.598 . . . 1.0 . . . . . . . . . . . . A . 12 TYR HH . . . . . . . . . rr_2dx4 1 . 5 . 1377 . 1 1 12 TYR N N -1.577 5.029 -4.141 . . . 1.0 . . . . . . . . . . . . A . 12 TYR N . . . . . . . . . rr_2dx4 1 . 5 . 1378 . 1 1 12 TYR O O -1.709 2.115 -2.357 . . . 1.0 . . . . . . . . . . . . A . 12 TYR O . . . . . . . . . rr_2dx4 1 . 5 . 1379 . 1 1 12 TYR OH O -0.692 4.487 3.531 . . . 1.0 . . . . . . . . . . . . A . 12 TYR OH . . . . . . . . . rr_2dx4 1 . 5 . 1380 . 1 1 13 ILE C C 1.500 0.771 -4.155 . . . 1.0 . . . . . . . . . . . . A . 13 ILE C . . . . . . . . . rr_2dx4 1 . 5 . 1381 . 1 1 13 ILE CA C 0.007 1.083 -4.284 . . . 1.0 . . . . . . . . . . . . A . 13 ILE CA . . . . . . . . . rr_2dx4 1 . 5 . 1382 . 1 1 13 ILE CB C -0.585 0.701 -5.642 . . . 1.0 . . . . . . . . . . . . A . 13 ILE CB . . . . . . . . . rr_2dx4 1 . 5 . 1383 . 1 1 13 ILE CD1 C 0.272 -1.644 -5.293 . . . 1.0 . . . . . . . . . . . . A . 13 ILE CD1 . . . . . . . . . rr_2dx4 1 . 5 . 1384 . 1 1 13 ILE CG1 C 0.180 -0.467 -6.266 . . . 1.0 . . . . . . . . . . . . A . 13 ILE CG1 . . . . . . . . . rr_2dx4 1 . 5 . 1385 . 1 1 13 ILE CG2 C -0.642 1.913 -6.575 . . . 1.0 . . . . . . . . . . . . A . 13 ILE CG2 . . . . . . . . . rr_2dx4 1 . 5 . 1386 . 1 1 13 ILE H H 0.312 3.122 -4.583 . . . 1.0 . . . . . . . . . . . . A . 13 ILE H . . . . . . . . . rr_2dx4 1 . 5 . 1387 . 1 1 13 ILE HA H -0.531 0.515 -3.526 . . . 1.0 . . . . . . . . . . . . A . 13 ILE HA . . . . . . . . . rr_2dx4 1 . 5 . 1388 . 1 1 13 ILE HB H -1.611 0.367 -5.486 . . . 1.0 . . . . . . . . . . . . A . 13 ILE HB . . . . . . . . . rr_2dx4 1 . 5 . 1389 . 1 1 13 ILE HD11 H -0.456 -2.405 -5.574 . . . 1.0 . . . . . . . . . . . . A . 13 ILE HD11 . . . . . . . . . rr_2dx4 1 . 5 . 1390 . 1 1 13 ILE HD12 H 1.275 -2.069 -5.330 . . . 1.0 . . . . . . . . . . . . A . 13 ILE HD12 . . . . . . . . . rr_2dx4 1 . 5 . 1391 . 1 1 13 ILE HD13 H 0.063 -1.296 -4.281 . . . 1.0 . . . . . . . . . . . . A . 13 ILE HD13 . . . . . . . . . rr_2dx4 1 . 5 . 1392 . 1 1 13 ILE HG12 H -0.318 -0.786 -7.182 . . . 1.0 . . . . . . . . . . . . A . 13 ILE HG12 . . . . . . . . . rr_2dx4 1 . 5 . 1393 . 1 1 13 ILE HG13 H 1.183 -0.142 -6.545 . . . 1.0 . . . . . . . . . . . . A . 13 ILE HG13 . . . . . . . . . rr_2dx4 1 . 5 . 1394 . 1 1 13 ILE HG21 H -1.362 2.635 -6.190 . . . 1.0 . . . . . . . . . . . . A . 13 ILE HG21 . . . . . . . . . rr_2dx4 1 . 5 . 1395 . 1 1 13 ILE HG22 H 0.343 2.375 -6.631 . . . 1.0 . . . . . . . . . . . . A . 13 ILE HG22 . . . . . . . . . rr_2dx4 1 . 5 . 1396 . 1 1 13 ILE HG23 H -0.949 1.590 -7.571 . . . 1.0 . . . . . . . . . . . . A . 13 ILE HG23 . . . . . . . . . rr_2dx4 1 . 5 . 1397 . 1 1 13 ILE N N -0.214 2.493 -4.011 . . . 1.0 . . . . . . . . . . . . A . 13 ILE N . . . . . . . . . rr_2dx4 1 . 5 . 1398 . 1 1 13 ILE O O 2.275 1.040 -5.071 . . . 1.0 . . . . . . . . . . . . A . 13 ILE O . . . . . . . . . rr_2dx4 1 . 5 . 1399 . 1 1 14 VAL C C 3.428 -1.650 -2.948 . . . 1.0 . . . . . . . . . . . . A . 14 VAL C . . . . . . . . . rr_2dx4 1 . 5 . 1400 . 1 1 14 VAL CA C 3.242 -0.144 -2.750 . . . 1.0 . . . . . . . . . . . . A . 14 VAL CA . . . . . . . . . rr_2dx4 1 . 5 . 1401 . 1 1 14 VAL CB C 3.648 0.329 -1.352 . . . 1.0 . . . . . . . . . . . . A . 14 VAL CB . . . . . . . . . rr_2dx4 1 . 5 . 1402 . 1 1 14 VAL CG1 C 3.376 -0.754 -0.306 . . . 1.0 . . . . . . . . . . . . A . 14 VAL CG1 . . . . . . . . . rr_2dx4 1 . 5 . 1403 . 1 1 14 VAL CG2 C 5.115 0.762 -1.325 . . . 1.0 . . . . . . . . . . . . A . 14 VAL CG2 . . . . . . . . . rr_2dx4 1 . 5 . 1404 . 1 1 14 VAL H H 1.220 -0.008 -2.270 . . . 1.0 . . . . . . . . . . . . A . 14 VAL H . . . . . . . . . rr_2dx4 1 . 5 . 1405 . 1 1 14 VAL HA H 3.858 0.384 -3.477 . . . 1.0 . . . . . . . . . . . . A . 14 VAL HA . . . . . . . . . rr_2dx4 1 . 5 . 1406 . 1 1 14 VAL HB H 3.038 1.197 -1.102 . . . 1.0 . . . . . . . . . . . . A . 14 VAL HB . . . . . . . . . rr_2dx4 1 . 5 . 1407 . 1 1 14 VAL HG11 H 3.006 -0.291 0.609 . . . 1.0 . . . . . . . . . . . . A . 14 VAL HG11 . . . . . . . . . rr_2dx4 1 . 5 . 1408 . 1 1 14 VAL HG12 H 2.629 -1.449 -0.689 . . . 1.0 . . . . . . . . . . . . A . 14 VAL HG12 . . . . . . . . . rr_2dx4 1 . 5 . 1409 . 1 1 14 VAL HG13 H 4.299 -1.294 -0.093 . . . 1.0 . . . . . . . . . . . . A . 14 VAL HG13 . . . . . . . . . rr_2dx4 1 . 5 . 1410 . 1 1 14 VAL HG21 H 5.457 0.952 -2.342 . . . 1.0 . . . . . . . . . . . . A . 14 VAL HG21 . . . . . . . . . rr_2dx4 1 . 5 . 1411 . 1 1 14 VAL HG22 H 5.215 1.671 -0.732 . . . 1.0 . . . . . . . . . . . . A . 14 VAL HG22 . . . . . . . . . rr_2dx4 1 . 5 . 1412 . 1 1 14 VAL HG23 H 5.719 -0.029 -0.880 . . . 1.0 . . . . . . . . . . . . A . 14 VAL HG23 . . . . . . . . . rr_2dx4 1 . 5 . 1413 . 1 1 14 VAL N N 1.857 0.207 -3.010 . . . 1.0 . . . . . . . . . . . . A . 14 VAL N . . . . . . . . . rr_2dx4 1 . 5 . 1414 . 1 1 14 VAL O O 2.617 -2.297 -3.610 . . . 1.0 . . . . . . . . . . . . A . 14 VAL O . . . . . . . . . rr_2dx4 1 . 5 . 1415 . 1 1 15 HIS C C 5.849 -3.962 -1.420 . . . 1.0 . . . . . . . . . . . . A . 15 HIS C . . . . . . . . . rr_2dx4 1 . 5 . 1416 . 1 1 15 HIS CA C 4.802 -3.581 -2.469 . . . 1.0 . . . . . . . . . . . . A . 15 HIS CA . . . . . . . . . rr_2dx4 1 . 5 . 1417 . 1 1 15 HIS CB C 5.231 -3.942 -3.892 . . . 1.0 . . . . . . . . . . . . A . 15 HIS CB . . . . . . . . . rr_2dx4 1 . 5 . 1418 . 1 1 15 HIS CD2 C 2.854 -4.524 -4.810 . . . 1.0 . . . . . . . . . . . . A . 15 HIS CD2 . . . . . . . . . rr_2dx4 1 . 5 . 1419 . 1 1 15 HIS CE1 C 3.031 -3.562 -6.767 . . . 1.0 . . . . . . . . . . . . A . 15 HIS CE1 . . . . . . . . . rr_2dx4 1 . 5 . 1420 . 1 1 15 HIS CG C 4.096 -3.967 -4.888 . . . 1.0 . . . . . . . . . . . . A . 15 HIS CG . . . . . . . . . rr_2dx4 1 . 5 . 1421 . 1 1 15 HIS H H 5.155 -1.631 -1.828 . . . 1.0 . . . . . . . . . . . . A . 15 HIS H . . . . . . . . . rr_2dx4 1 . 5 . 1422 . 1 1 15 HIS HA H 3.876 -4.115 -2.255 . . . 1.0 . . . . . . . . . . . . A . 15 HIS HA . . . . . . . . . rr_2dx4 1 . 5 . 1423 . 1 1 15 HIS HB2 H 5.980 -3.224 -4.228 . . . 1.0 . . . . . . . . . . . . A . 15 HIS HB2 . . . . . . . . . rr_2dx4 1 . 5 . 1424 . 1 1 15 HIS HB3 H 5.712 -4.920 -3.879 . . . 1.0 . . . . . . . . . . . . A . 15 HIS HB3 . . . . . . . . . rr_2dx4 1 . 5 . 1425 . 1 1 15 HIS HD1 H 4.969 -2.873 -6.493 . . . 1.0 . . . . . . . . . . . . A . 15 HIS HD1 . . . . . . . . . rr_2dx4 1 . 5 . 1426 . 1 1 15 HIS HD2 H 2.457 -5.078 -3.959 . . . 1.0 . . . . . . . . . . . . A . 15 HIS HD2 . . . . . . . . . rr_2dx4 1 . 5 . 1427 . 1 1 15 HIS HE1 H 2.785 -3.211 -7.769 . . . 1.0 . . . . . . . . . . . . A . 15 HIS HE1 . . . . . . . . . rr_2dx4 1 . 5 . 1428 . 1 1 15 HIS HE2 H 1.302 -4.619 -6.183 . . . 1.0 . . . . . . . . . . . . A . 15 HIS HE2 . . . . . . . . . rr_2dx4 1 . 5 . 1429 . 1 1 15 HIS N N 4.500 -2.164 -2.364 . . . 1.0 . . . . . . . . . . . . A . 15 HIS N . . . . . . . . . rr_2dx4 1 . 5 . 1430 . 1 1 15 HIS ND1 N 4.178 -3.368 -6.133 . . . 1.0 . . . . . . . . . . . . A . 15 HIS ND1 . . . . . . . . . rr_2dx4 1 . 5 . 1431 . 1 1 15 HIS NE2 N 2.212 -4.279 -5.945 . . . 1.0 . . . . . . . . . . . . A . 15 HIS NE2 . . . . . . . . . rr_2dx4 1 . 5 . 1432 . 1 1 15 HIS O O 6.911 -4.482 -1.758 . . . 1.0 . . . . . . . . . . . . A . 15 HIS O . . . . . . . . . rr_2dx4 1 . 5 . 1433 . 1 1 16 TRP C C 6.395 -5.508 1.147 . . . 1.0 . . . . . . . . . . . . A . 16 TRP C . . . . . . . . . rr_2dx4 1 . 5 . 1434 . 1 1 16 TRP CA C 6.411 -3.994 0.933 . . . 1.0 . . . . . . . . . . . . A . 16 TRP CA . . . . . . . . . rr_2dx4 1 . 5 . 1435 . 1 1 16 TRP CB C 6.027 -3.208 2.188 . . . 1.0 . . . . . . . . . . . . A . 16 TRP CB . . . . . . . . . rr_2dx4 1 . 5 . 1436 . 1 1 16 TRP CD1 C 4.839 -0.917 2.236 . . . 1.0 . . . . . . . . . . . . A . 16 TRP CD1 . . . . . . . . . rr_2dx4 1 . 5 . 1437 . 1 1 16 TRP CD2 C 6.890 -0.822 1.402 . . . 1.0 . . . . . . . . . . . . A . 16 TRP CD2 . . . . . . . . . rr_2dx4 1 . 5 . 1438 . 1 1 16 TRP CE2 C 6.372 0.456 1.371 . . . 1.0 . . . . . . . . . . . . A . 16 TRP CE2 . . . . . . . . . rr_2dx4 1 . 5 . 1439 . 1 1 16 TRP CE3 C 8.187 -1.099 0.937 . . . 1.0 . . . . . . . . . . . . A . 16 TRP CE3 . . . . . . . . . rr_2dx4 1 . 5 . 1440 . 1 1 16 TRP CG C 5.891 -1.701 1.962 . . . 1.0 . . . . . . . . . . . . A . 16 TRP CG . . . . . . . . . rr_2dx4 1 . 5 . 1441 . 1 1 16 TRP CH2 C 8.378 1.308 0.415 . . . 1.0 . . . . . . . . . . . . A . 16 TRP CH2 . . . . . . . . . rr_2dx4 1 . 5 . 1442 . 1 1 16 TRP CZ2 C 7.083 1.560 0.883 . . . 1.0 . . . . . . . . . . . . A . 16 TRP CZ2 . . . . . . . . . rr_2dx4 1 . 5 . 1443 . 1 1 16 TRP CZ3 C 8.885 0.014 0.453 . . . 1.0 . . . . . . . . . . . . A . 16 TRP CZ3 . . . . . . . . . rr_2dx4 1 . 5 . 1444 . 1 1 16 TRP H H 4.647 -3.264 0.099 . . . 1.0 . . . . . . . . . . . . A . 16 TRP H . . . . . . . . . rr_2dx4 1 . 5 . 1445 . 1 1 16 TRP HA H 7.411 -3.668 0.648 . . . 1.0 . . . . . . . . . . . . A . 16 TRP HA . . . . . . . . . rr_2dx4 1 . 5 . 1446 . 1 1 16 TRP HB2 H 5.082 -3.594 2.572 . . . 1.0 . . . . . . . . . . . . A . 16 TRP HB2 . . . . . . . . . rr_2dx4 1 . 5 . 1447 . 1 1 16 TRP HB3 H 6.779 -3.384 2.958 . . . 1.0 . . . . . . . . . . . . A . 16 TRP HB3 . . . . . . . . . rr_2dx4 1 . 5 . 1448 . 1 1 16 TRP HD1 H 3.906 -1.273 2.673 . . . 1.0 . . . . . . . . . . . . A . 16 TRP HD1 . . . . . . . . . rr_2dx4 1 . 5 . 1449 . 1 1 16 TRP HE1 H 4.397 1.234 2.012 . . . 1.0 . . . . . . . . . . . . A . 16 TRP HE1 . . . . . . . . . rr_2dx4 1 . 5 . 1450 . 1 1 16 TRP HE3 H 8.619 -2.100 0.951 . . . 1.0 . . . . . . . . . . . . A . 16 TRP HE3 . . . . . . . . . rr_2dx4 1 . 5 . 1451 . 1 1 16 TRP HH2 H 8.985 2.123 0.022 . . . 1.0 . . . . . . . . . . . . A . 16 TRP HH2 . . . . . . . . . rr_2dx4 1 . 5 . 1452 . 1 1 16 TRP HZ2 H 6.651 2.560 0.869 . . . 1.0 . . . . . . . . . . . . A . 16 TRP HZ2 . . . . . . . . . rr_2dx4 1 . 5 . 1453 . 1 1 16 TRP HZ3 H 9.896 -0.145 0.080 . . . 1.0 . . . . . . . . . . . . A . 16 TRP HZ3 . . . . . . . . . rr_2dx4 1 . 5 . 1454 . 1 1 16 TRP N N 5.513 -3.687 -0.168 . . . 1.0 . . . . . . . . . . . . A . 16 TRP N . . . . . . . . . rr_2dx4 1 . 5 . 1455 . 1 1 16 TRP NE1 N 5.085 0.397 1.894 . . . 1.0 . . . . . . . . . . . . A . 16 TRP NE1 . . . . . . . . . rr_2dx4 1 . 5 . 1456 . 1 1 16 TRP O O 6.009 -6.262 0.255 . . . 1.0 . . . . . . . . . . . . A . 16 TRP O . . . . . . . . . rr_2dx4 1 . 5 . 1457 . 1 1 17 THR C C 6.489 -7.524 4.149 . . . 1.0 . . . . . . . . . . . . A . 17 THR C . . . . . . . . . rr_2dx4 1 . 5 . 1458 . 1 1 17 THR CA C 6.861 -7.322 2.679 . . . 1.0 . . . . . . . . . . . . A . 17 THR CA . . . . . . . . . rr_2dx4 1 . 5 . 1459 . 1 1 17 THR CB C 8.250 -7.855 2.324 . . . 1.0 . . . . . . . . . . . . A . 17 THR CB . . . . . . . . . rr_2dx4 1 . 5 . 1460 . 1 1 17 THR CG2 C 8.466 -7.968 0.814 . . . 1.0 . . . . . . . . . . . . A . 17 THR CG2 . . . . . . . . . rr_2dx4 1 . 5 . 1461 . 1 1 17 THR H H 7.134 -5.291 3.056 . . . 1.0 . . . . . . . . . . . . A . 17 THR H . . . . . . . . . rr_2dx4 1 . 5 . 1462 . 1 1 17 THR HA H 6.109 -7.841 2.085 . . . 1.0 . . . . . . . . . . . . A . 17 THR HA . . . . . . . . . rr_2dx4 1 . 5 . 1463 . 1 1 17 THR HB H 8.438 -8.809 2.817 . . . 1.0 . . . . . . . . . . . . A . 17 THR HB . . . . . . . . . rr_2dx4 1 . 5 . 1464 . 1 1 17 THR HG1 H 9.995 -7.201 3.055 . . . 1.0 . . . . . . . . . . . . A . 17 THR HG1 . . . . . . . . . rr_2dx4 1 . 5 . 1465 . 1 1 17 THR HG21 H 9.529 -8.087 0.606 . . . 1.0 . . . . . . . . . . . . A . 17 THR HG21 . . . . . . . . . rr_2dx4 1 . 5 . 1466 . 1 1 17 THR HG22 H 7.923 -8.833 0.433 . . . 1.0 . . . . . . . . . . . . A . 17 THR HG22 . . . . . . . . . rr_2dx4 1 . 5 . 1467 . 1 1 17 THR HG23 H 8.099 -7.065 0.325 . . . 1.0 . . . . . . . . . . . . A . 17 THR HG23 . . . . . . . . . rr_2dx4 1 . 5 . 1468 . 1 1 17 THR N N 6.821 -5.910 2.336 . . . 1.0 . . . . . . . . . . . . A . 17 THR N . . . . . . . . . rr_2dx4 1 . 5 . 1469 . 1 1 17 THR O O 7.327 -7.353 5.034 . . . 1.0 . . . . . . . . . . . . A . 17 THR O . . . . . . . . . rr_2dx4 1 . 5 . 1470 . 1 1 17 THR OG1 O 9.135 -6.812 2.724 . . . 1.0 . . . . . . . . . . . . A . 17 THR OG1 . . . . . . . . . rr_2dx4 1 . 5 . 1471 . 1 1 18 ALA C C 5.642 -9.130 6.415 . . . 1.0 . . . . . . . . . . . . A . 18 ALA C . . . . . . . . . rr_2dx4 1 . 5 . 1472 . 1 1 18 ALA CA C 4.740 -8.113 5.713 . . . 1.0 . . . . . . . . . . . . A . 18 ALA CA . . . . . . . . . rr_2dx4 1 . 5 . 1473 . 1 1 18 ALA CB C 3.282 -8.570 5.653 . . . 1.0 . . . . . . . . . . . . A . 18 ALA CB . . . . . . . . . rr_2dx4 1 . 5 . 1474 . 1 1 18 ALA H H 4.558 -8.022 3.639 . . . 1.0 . . . . . . . . . . . . A . 18 ALA H . . . . . . . . . rr_2dx4 1 . 5 . 1475 . 1 1 18 ALA HA H 4.790 -7.165 6.248 . . . 1.0 . . . . . . . . . . . . A . 18 ALA HA . . . . . . . . . rr_2dx4 1 . 5 . 1476 . 1 1 18 ALA HB1 H 2.629 -7.740 5.927 . . . 1.0 . . . . . . . . . . . . A . 18 ALA HB1 . . . . . . . . . rr_2dx4 1 . 5 . 1477 . 1 1 18 ALA HB2 H 3.045 -8.899 4.641 . . . 1.0 . . . . . . . . . . . . A . 18 ALA HB2 . . . . . . . . . rr_2dx4 1 . 5 . 1478 . 1 1 18 ALA HB3 H 3.131 -9.396 6.348 . . . 1.0 . . . . . . . . . . . . A . 18 ALA HB3 . . . . . . . . . rr_2dx4 1 . 5 . 1479 . 1 1 18 ALA N N 5.233 -7.885 4.365 . . . 1.0 . . . . . . . . . . . . A . 18 ALA N . . . . . . . . . rr_2dx4 1 . 5 . 1480 . 1 1 18 ALA O O 5.552 -10.329 6.155 . . . 1.0 . . . . . . . . . . . . A . 18 ALA O . . . . . . . . . rr_2dx4 1 . 6 . 1481 . 1 1 1 ILE C C 1.684 -7.348 6.712 . . . 1.0 . . . . . . . . . . . . A . 1 ILE C . . . . . . . . . rr_2dx4 1 . 6 . 1482 . 1 1 1 ILE CA C 1.645 -7.530 8.231 . . . 1.0 . . . . . . . . . . . . A . 1 ILE CA . . . . . . . . . rr_2dx4 1 . 6 . 1483 . 1 1 1 ILE CB C 2.972 -7.210 8.923 . . . 1.0 . . . . . . . . . . . . A . 1 ILE CB . . . . . . . . . rr_2dx4 1 . 6 . 1484 . 1 1 1 ILE CD1 C 1.973 -7.162 11.238 . . . 1.0 . . . . . . . . . . . . A . 1 ILE CD1 . . . . . . . . . rr_2dx4 1 . 6 . 1485 . 1 1 1 ILE CG1 C 3.017 -7.813 10.328 . . . 1.0 . . . . . . . . . . . . A . 1 ILE CG1 . . . . . . . . . rr_2dx4 1 . 6 . 1486 . 1 1 1 ILE CG2 C 3.233 -5.702 8.937 . . . 1.0 . . . . . . . . . . . . A . 1 ILE CG2 . . . . . . . . . rr_2dx4 1 . 6 . 1487 . 1 1 1 ILE H1 H 0.904 -9.418 7.758 . . . 1.0 . . . . . . . . . . . . A . 1 ILE H1 . . . . . . . . . rr_2dx4 1 . 6 . 1488 . 1 1 1 ILE HA H 0.896 -6.853 8.641 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HA . . . . . . . . . rr_2dx4 1 . 6 . 1489 . 1 1 1 ILE HB H 3.776 -7.670 8.349 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HB . . . . . . . . . rr_2dx4 1 . 6 . 1490 . 1 1 1 ILE HD11 H 2.405 -6.994 12.225 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HD11 . . . . . . . . . rr_2dx4 1 . 6 . 1491 . 1 1 1 ILE HD12 H 1.663 -6.208 10.811 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HD12 . . . . . . . . . rr_2dx4 1 . 6 . 1492 . 1 1 1 ILE HD13 H 1.108 -7.819 11.327 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HD13 . . . . . . . . . rr_2dx4 1 . 6 . 1493 . 1 1 1 ILE HG12 H 2.837 -8.886 10.273 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HG12 . . . . . . . . . rr_2dx4 1 . 6 . 1494 . 1 1 1 ILE HG13 H 4.011 -7.677 10.754 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HG13 . . . . . . . . . rr_2dx4 1 . 6 . 1495 . 1 1 1 ILE HG21 H 4.143 -5.486 8.379 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HG21 . . . . . . . . . rr_2dx4 1 . 6 . 1496 . 1 1 1 ILE HG22 H 2.392 -5.184 8.476 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HG22 . . . . . . . . . rr_2dx4 1 . 6 . 1497 . 1 1 1 ILE HG23 H 3.348 -5.363 9.967 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HG23 . . . . . . . . . rr_2dx4 1 . 6 . 1498 . 1 1 1 ILE N N 1.224 -8.886 8.541 . . . 1.0 . . . . . . . . . . . . A . 1 ILE N . . . . . . . . . rr_2dx4 1 . 6 . 1499 . 1 1 1 ILE O O 2.046 -8.269 5.982 . . . 1.0 . . . . . . . . . . . . A . 1 ILE O . . . . . . . . . rr_2dx4 1 . 6 . 1500 . 1 1 2 ASN C C 0.385 -4.630 4.622 . . . 1.0 . . . . . . . . . . . . A . 2 ASN C . . . . . . . . . rr_2dx4 1 . 6 . 1501 . 1 1 2 ASN CA C 1.293 -5.838 4.864 . . . 1.0 . . . . . . . . . . . . A . 2 ASN CA . . . . . . . . . rr_2dx4 1 . 6 . 1502 . 1 1 2 ASN CB C 0.748 -7.010 4.044 . . . 1.0 . . . . . . . . . . . . A . 2 ASN CB . . . . . . . . . rr_2dx4 1 . 6 . 1503 . 1 1 2 ASN CG C 1.852 -7.646 3.197 . . . 1.0 . . . . . . . . . . . . A . 2 ASN CG . . . . . . . . . rr_2dx4 1 . 6 . 1504 . 1 1 2 ASN H H 1.013 -5.409 6.883 . . . 1.0 . . . . . . . . . . . . A . 2 ASN H . . . . . . . . . rr_2dx4 1 . 6 . 1505 . 1 1 2 ASN HA H 2.332 -5.636 4.605 . . . 1.0 . . . . . . . . . . . . A . 2 ASN HA . . . . . . . . . rr_2dx4 1 . 6 . 1506 . 1 1 2 ASN HB2 H 0.321 -7.757 4.712 . . . 1.0 . . . . . . . . . . . . A . 2 ASN HB2 . . . . . . . . . rr_2dx4 1 . 6 . 1507 . 1 1 2 ASN HB3 H -0.057 -6.662 3.397 . . . 1.0 . . . . . . . . . . . . A . 2 ASN HB3 . . . . . . . . . rr_2dx4 1 . 6 . 1508 . 1 1 2 ASN HD21 H 1.665 -6.115 1.887 . . . 1.0 . . . . . . . . . . . . A . 2 ASN HD21 . . . . . . . . . rr_2dx4 1 . 6 . 1509 . 1 1 2 ASN HD22 H 2.860 -7.299 1.476 . . . 1.0 . . . . . . . . . . . . A . 2 ASN HD22 . . . . . . . . . rr_2dx4 1 . 6 . 1510 . 1 1 2 ASN N N 1.306 -6.153 6.282 . . . 1.0 . . . . . . . . . . . . A . 2 ASN N . . . . . . . . . rr_2dx4 1 . 6 . 1511 . 1 1 2 ASN ND2 N 2.150 -6.963 2.096 . . . 1.0 . . . . . . . . . . . . A . 2 ASN ND2 . . . . . . . . . rr_2dx4 1 . 6 . 1512 . 1 1 2 ASN O O -0.819 -4.784 4.426 . . . 1.0 . . . . . . . . . . . . A . 2 ASN O . . . . . . . . . rr_2dx4 1 . 6 . 1513 . 1 1 2 ASN OD1 O 2.397 -8.688 3.523 . . . 1.0 . . . . . . . . . . . . A . 2 ASN OD1 . . . . . . . . . rr_2dx4 1 . 6 . 1514 . 1 1 3 TYR C C 0.155 -1.898 2.940 . . . 1.0 . . . . . . . . . . . . A . 3 TYR C . . . . . . . . . rr_2dx4 1 . 6 . 1515 . 1 1 3 TYR CA C 0.260 -2.222 4.431 . . . 1.0 . . . . . . . . . . . . A . 3 TYR CA . . . . . . . . . rr_2dx4 1 . 6 . 1516 . 1 1 3 TYR CB C 1.067 -1.123 5.125 . . . 1.0 . . . . . . . . . . . . A . 3 TYR CB . . . . . . . . . rr_2dx4 1 . 6 . 1517 . 1 1 3 TYR CD1 C 0.619 -1.783 7.517 . . . 1.0 . . . . . . . . . . . . A . 3 TYR CD1 . . . . . . . . . rr_2dx4 1 . 6 . 1518 . 1 1 3 TYR CD2 C 2.891 -1.534 6.816 . . . 1.0 . . . . . . . . . . . . A . 3 TYR CD2 . . . . . . . . . rr_2dx4 1 . 6 . 1519 . 1 1 3 TYR CE1 C 1.065 -2.130 8.841 . . . 1.0 . . . . . . . . . . . . A . 3 TYR CE1 . . . . . . . . . rr_2dx4 1 . 6 . 1520 . 1 1 3 TYR CE2 C 3.337 -1.881 8.141 . . . 1.0 . . . . . . . . . . . . A . 3 TYR CE2 . . . . . . . . . rr_2dx4 1 . 6 . 1521 . 1 1 3 TYR CG C 1.541 -1.492 6.532 . . . 1.0 . . . . . . . . . . . . A . 3 TYR CG . . . . . . . . . rr_2dx4 1 . 6 . 1522 . 1 1 3 TYR CZ C 2.402 -2.163 9.087 . . . 1.0 . . . . . . . . . . . . A . 3 TYR CZ . . . . . . . . . rr_2dx4 1 . 6 . 1523 . 1 1 3 TYR H H 1.978 -3.339 4.806 . . . 1.0 . . . . . . . . . . . . A . 3 TYR H . . . . . . . . . rr_2dx4 1 . 6 . 1524 . 1 1 3 TYR HA H -0.742 -2.355 4.838 . . . 1.0 . . . . . . . . . . . . A . 3 TYR HA . . . . . . . . . rr_2dx4 1 . 6 . 1525 . 1 1 3 TYR HB2 H 1.935 -0.882 4.512 . . . 1.0 . . . . . . . . . . . . A . 3 TYR HB2 . . . . . . . . . rr_2dx4 1 . 6 . 1526 . 1 1 3 TYR HB3 H 0.458 -0.221 5.183 . . . 1.0 . . . . . . . . . . . . A . 3 TYR HB3 . . . . . . . . . rr_2dx4 1 . 6 . 1527 . 1 1 3 TYR HD1 H -0.447 -1.750 7.292 . . . 1.0 . . . . . . . . . . . . A . 3 TYR HD1 . . . . . . . . . rr_2dx4 1 . 6 . 1528 . 1 1 3 TYR HD2 H 3.619 -1.304 6.039 . . . 1.0 . . . . . . . . . . . . A . 3 TYR HD2 . . . . . . . . . rr_2dx4 1 . 6 . 1529 . 1 1 3 TYR HE1 H 0.348 -2.363 9.628 . . . 1.0 . . . . . . . . . . . . A . 3 TYR HE1 . . . . . . . . . rr_2dx4 1 . 6 . 1530 . 1 1 3 TYR HE2 H 4.400 -1.918 8.379 . . . 1.0 . . . . . . . . . . . . A . 3 TYR HE2 . . . . . . . . . rr_2dx4 1 . 6 . 1531 . 1 1 3 TYR HH H 3.821 -2.568 10.354 . . . 1.0 . . . . . . . . . . . . A . 3 TYR HH . . . . . . . . . rr_2dx4 1 . 6 . 1532 . 1 1 3 TYR N N 0.998 -3.456 4.645 . . . 1.0 . . . . . . . . . . . . A . 3 TYR N . . . . . . . . . rr_2dx4 1 . 6 . 1533 . 1 1 3 TYR O O 0.449 -0.779 2.522 . . . 1.0 . . . . . . . . . . . . A . 3 TYR O . . . . . . . . . rr_2dx4 1 . 6 . 1534 . 1 1 3 TYR OH O 2.824 -2.491 10.338 . . . 1.0 . . . . . . . . . . . . A . 3 TYR OH . . . . . . . . . rr_2dx4 1 . 6 . 1535 . 1 1 4 TRP C C -1.079 -1.379 0.487 . . . 1.0 . . . . . . . . . . . . A . 4 TRP C . . . . . . . . . rr_2dx4 1 . 6 . 1536 . 1 1 4 TRP CA C -0.412 -2.732 0.742 . . . 1.0 . . . . . . . . . . . . A . 4 TRP CA . . . . . . . . . rr_2dx4 1 . 6 . 1537 . 1 1 4 TRP CB C -1.184 -3.903 0.132 . . . 1.0 . . . . . . . . . . . . A . 4 TRP CB . . . . . . . . . rr_2dx4 1 . 6 . 1538 . 1 1 4 TRP CD1 C 0.624 -4.205 -1.685 . . . 1.0 . . . . . . . . . . . . A . 4 TRP CD1 . . . . . . . . . rr_2dx4 1 . 6 . 1539 . 1 1 4 TRP CD2 C -0.707 -5.964 -1.475 . . . 1.0 . . . . . . . . . . . . A . 4 TRP CD2 . . . . . . . . . rr_2dx4 1 . 6 . 1540 . 1 1 4 TRP CE2 C 0.205 -6.253 -2.469 . . . 1.0 . . . . . . . . . . . . A . 4 TRP CE2 . . . . . . . . . rr_2dx4 1 . 6 . 1541 . 1 1 4 TRP CE3 C -1.697 -6.888 -1.098 . . . 1.0 . . . . . . . . . . . . A . 4 TRP CE3 . . . . . . . . . rr_2dx4 1 . 6 . 1542 . 1 1 4 TRP CG C -0.427 -4.639 -0.976 . . . 1.0 . . . . . . . . . . . . A . 4 TRP CG . . . . . . . . . rr_2dx4 1 . 6 . 1543 . 1 1 4 TRP CH2 C -0.760 -8.401 -2.811 . . . 1.0 . . . . . . . . . . . . A . 4 TRP CH2 . . . . . . . . . rr_2dx4 1 . 6 . 1544 . 1 1 4 TRP CZ2 C 0.218 -7.466 -3.169 . . . 1.0 . . . . . . . . . . . . A . 4 TRP CZ2 . . . . . . . . . rr_2dx4 1 . 6 . 1545 . 1 1 4 TRP CZ3 C -1.672 -8.095 -1.807 . . . 1.0 . . . . . . . . . . . . A . 4 TRP CZ3 . . . . . . . . . rr_2dx4 1 . 6 . 1546 . 1 1 4 TRP H H -0.501 -3.804 2.525 . . . 1.0 . . . . . . . . . . . . A . 4 TRP H . . . . . . . . . rr_2dx4 1 . 6 . 1547 . 1 1 4 TRP HA H 0.585 -2.745 0.301 . . . 1.0 . . . . . . . . . . . . A . 4 TRP HA . . . . . . . . . rr_2dx4 1 . 6 . 1548 . 1 1 4 TRP HB2 H -1.432 -4.613 0.921 . . . 1.0 . . . . . . . . . . . . A . 4 TRP HB2 . . . . . . . . . rr_2dx4 1 . 6 . 1549 . 1 1 4 TRP HB3 H -2.127 -3.533 -0.271 . . . 1.0 . . . . . . . . . . . . A . 4 TRP HB3 . . . . . . . . . rr_2dx4 1 . 6 . 1550 . 1 1 4 TRP HD1 H 1.091 -3.229 -1.556 . . . 1.0 . . . . . . . . . . . . A . 4 TRP HD1 . . . . . . . . . rr_2dx4 1 . 6 . 1551 . 1 1 4 TRP HE1 H 1.871 -5.049 -3.300 . . . 1.0 . . . . . . . . . . . . A . 4 TRP HE1 . . . . . . . . . rr_2dx4 1 . 6 . 1552 . 1 1 4 TRP HE3 H -2.429 -6.683 -0.316 . . . 1.0 . . . . . . . . . . . . A . 4 TRP HE3 . . . . . . . . . rr_2dx4 1 . 6 . 1553 . 1 1 4 TRP HH2 H -0.807 -9.365 -3.317 . . . 1.0 . . . . . . . . . . . . A . 4 TRP HH2 . . . . . . . . . rr_2dx4 1 . 6 . 1554 . 1 1 4 TRP HZ2 H 0.949 -7.670 -3.951 . . . 1.0 . . . . . . . . . . . . A . 4 TRP HZ2 . . . . . . . . . rr_2dx4 1 . 6 . 1555 . 1 1 4 TRP HZ3 H -2.419 -8.847 -1.554 . . . 1.0 . . . . . . . . . . . . A . 4 TRP HZ3 . . . . . . . . . rr_2dx4 1 . 6 . 1556 . 1 1 4 TRP N N -0.264 -2.897 2.178 . . . 1.0 . . . . . . . . . . . . A . 4 TRP N . . . . . . . . . rr_2dx4 1 . 6 . 1557 . 1 1 4 TRP NE1 N 1.040 -5.150 -2.601 . . . 1.0 . . . . . . . . . . . . A . 4 TRP NE1 . . . . . . . . . rr_2dx4 1 . 6 . 1558 . 1 1 4 TRP O O -0.516 -0.524 -0.196 . . . 1.0 . . . . . . . . . . . . A . 4 TRP O . . . . . . . . . rr_2dx4 1 . 6 . 1559 . 1 1 5 LEU C C -3.454 0.154 -0.566 . . . 1.0 . . . . . . . . . . . . A . 5 LEU C . . . . . . . . . rr_2dx4 1 . 6 . 1560 . 1 1 5 LEU CA C -3.017 0.009 0.893 . . . 1.0 . . . . . . . . . . . . A . 5 LEU CA . . . . . . . . . rr_2dx4 1 . 6 . 1561 . 1 1 5 LEU CB C -2.207 1.198 1.413 . . . 1.0 . . . . . . . . . . . . A . 5 LEU CB . . . . . . . . . rr_2dx4 1 . 6 . 1562 . 1 1 5 LEU CD1 C -2.161 2.857 -0.486 . . . 1.0 . . . . . . . . . . . . A . 5 LEU CD1 . . . . . . . . . rr_2dx4 1 . 6 . 1563 . 1 1 5 LEU CD2 C -4.177 2.730 1.049 . . . 1.0 . . . . . . . . . . . . A . 5 LEU CD2 . . . . . . . . . rr_2dx4 1 . 6 . 1564 . 1 1 5 LEU CG C -2.658 2.579 0.934 . . . 1.0 . . . . . . . . . . . . A . 5 LEU CG . . . . . . . . . rr_2dx4 1 . 6 . 1565 . 1 1 5 LEU H H -2.718 -1.926 1.605 . . . 1.0 . . . . . . . . . . . . A . 5 LEU H . . . . . . . . . rr_2dx4 1 . 6 . 1566 . 1 1 5 LEU HA H -3.910 -0.069 1.514 . . . 1.0 . . . . . . . . . . . . A . 5 LEU HA . . . . . . . . . rr_2dx4 1 . 6 . 1567 . 1 1 5 LEU HB2 H -2.238 1.185 2.503 . . . 1.0 . . . . . . . . . . . . A . 5 LEU HB2 . . . . . . . . . rr_2dx4 1 . 6 . 1568 . 1 1 5 LEU HB3 H -1.166 1.057 1.123 . . . 1.0 . . . . . . . . . . . . A . 5 LEU HB3 . . . . . . . . . rr_2dx4 1 . 6 . 1569 . 1 1 5 LEU HD11 H -1.911 1.914 -0.974 . . . 1.0 . . . . . . . . . . . . A . 5 LEU HD11 . . . . . . . . . rr_2dx4 1 . 6 . 1570 . 1 1 5 LEU HD12 H -2.943 3.363 -1.052 . . . 1.0 . . . . . . . . . . . . A . 5 LEU HD12 . . . . . . . . . rr_2dx4 1 . 6 . 1571 . 1 1 5 LEU HD13 H -1.275 3.490 -0.443 . . . 1.0 . . . . . . . . . . . . A . 5 LEU HD13 . . . . . . . . . rr_2dx4 1 . 6 . 1572 . 1 1 5 LEU HD21 H -4.628 1.750 1.206 . . . 1.0 . . . . . . . . . . . . A . 5 LEU HD21 . . . . . . . . . rr_2dx4 1 . 6 . 1573 . 1 1 5 LEU HD22 H -4.414 3.379 1.892 . . . 1.0 . . . . . . . . . . . . A . 5 LEU HD22 . . . . . . . . . rr_2dx4 1 . 6 . 1574 . 1 1 5 LEU HD23 H -4.569 3.168 0.132 . . . 1.0 . . . . . . . . . . . . A . 5 LEU HD23 . . . . . . . . . rr_2dx4 1 . 6 . 1575 . 1 1 5 LEU HG H -2.210 3.330 1.585 . . . 1.0 . . . . . . . . . . . . A . 5 LEU HG . . . . . . . . . rr_2dx4 1 . 6 . 1576 . 1 1 5 LEU N N -2.268 -1.226 1.051 . . . 1.0 . . . . . . . . . . . . A . 5 LEU N . . . . . . . . . rr_2dx4 1 . 6 . 1577 . 1 1 5 LEU O O -3.987 1.190 -0.959 . . . 1.0 . . . . . . . . . . . . A . 5 LEU O . . . . . . . . . rr_2dx4 1 . 6 . 1578 . 1 1 6 ALA C C -5.043 -0.510 -2.883 . . . 1.0 . . . . . . . . . . . . A . 6 ALA C . . . . . . . . . rr_2dx4 1 . 6 . 1579 . 1 1 6 ALA CA C -3.572 -0.905 -2.738 . . . 1.0 . . . . . . . . . . . . A . 6 ALA CA . . . . . . . . . rr_2dx4 1 . 6 . 1580 . 1 1 6 ALA CB C -3.276 -2.281 -3.337 . . . 1.0 . . . . . . . . . . . . A . 6 ALA CB . . . . . . . . . rr_2dx4 1 . 6 . 1581 . 1 1 6 ALA H H -2.776 -1.741 -1.003 . . . 1.0 . . . . . . . . . . . . A . 6 ALA H . . . . . . . . . rr_2dx4 1 . 6 . 1582 . 1 1 6 ALA HA H -2.953 -0.162 -3.241 . . . 1.0 . . . . . . . . . . . . A . 6 ALA HA . . . . . . . . . rr_2dx4 1 . 6 . 1583 . 1 1 6 ALA HB1 H -3.864 -3.038 -2.818 . . . 1.0 . . . . . . . . . . . . A . 6 ALA HB1 . . . . . . . . . rr_2dx4 1 . 6 . 1584 . 1 1 6 ALA HB2 H -3.538 -2.281 -4.395 . . . 1.0 . . . . . . . . . . . . A . 6 ALA HB2 . . . . . . . . . rr_2dx4 1 . 6 . 1585 . 1 1 6 ALA HB3 H -2.215 -2.506 -3.226 . . . 1.0 . . . . . . . . . . . . A . 6 ALA HB3 . . . . . . . . . rr_2dx4 1 . 6 . 1586 . 1 1 6 ALA N N -3.211 -0.901 -1.330 . . . 1.0 . . . . . . . . . . . . A . 6 ALA N . . . . . . . . . rr_2dx4 1 . 6 . 1587 . 1 1 6 ALA O O -5.927 -1.363 -2.832 . . . 1.0 . . . . . . . . . . . . A . 6 ALA O . . . . . . . . . rr_2dx4 1 . 6 . 1588 . 1 1 7 HIS C C -6.658 2.256 -4.413 . . . 1.0 . . . . . . . . . . . . A . 7 HIS C . . . . . . . . . rr_2dx4 1 . 6 . 1589 . 1 1 7 HIS CA C -6.608 1.304 -3.216 . . . 1.0 . . . . . . . . . . . . A . 7 HIS CA . . . . . . . . . rr_2dx4 1 . 6 . 1590 . 1 1 7 HIS CB C -7.090 1.957 -1.919 . . . 1.0 . . . . . . . . . . . . A . 7 HIS CB . . . . . . . . . rr_2dx4 1 . 6 . 1591 . 1 1 7 HIS CD2 C -6.858 4.557 -1.780 . . . 1.0 . . . . . . . . . . . . A . 7 HIS CD2 . . . . . . . . . rr_2dx4 1 . 6 . 1592 . 1 1 7 HIS CE1 C -8.814 5.088 -2.604 . . . 1.0 . . . . . . . . . . . . A . 7 HIS CE1 . . . . . . . . . rr_2dx4 1 . 6 . 1593 . 1 1 7 HIS CG C -7.513 3.398 -2.077 . . . 1.0 . . . . . . . . . . . . A . 7 HIS CG . . . . . . . . . rr_2dx4 1 . 6 . 1594 . 1 1 7 HIS H H -4.534 1.473 -3.103 . . . 1.0 . . . . . . . . . . . . A . 7 HIS H . . . . . . . . . rr_2dx4 1 . 6 . 1595 . 1 1 7 HIS HA H -7.251 0.448 -3.416 . . . 1.0 . . . . . . . . . . . . A . 7 HIS HA . . . . . . . . . rr_2dx4 1 . 6 . 1596 . 1 1 7 HIS HB2 H -7.929 1.383 -1.525 . . . 1.0 . . . . . . . . . . . . A . 7 HIS HB2 . . . . . . . . . rr_2dx4 1 . 6 . 1597 . 1 1 7 HIS HB3 H -6.292 1.902 -1.178 . . . 1.0 . . . . . . . . . . . . A . 7 HIS HB3 . . . . . . . . . rr_2dx4 1 . 6 . 1598 . 1 1 7 HIS HD1 H -9.457 3.138 -2.906 . . . 1.0 . . . . . . . . . . . . A . 7 HIS HD1 . . . . . . . . . rr_2dx4 1 . 6 . 1599 . 1 1 7 HIS HD2 H -5.859 4.632 -1.352 . . . 1.0 . . . . . . . . . . . . A . 7 HIS HD2 . . . . . . . . . rr_2dx4 1 . 6 . 1600 . 1 1 7 HIS HE1 H -9.659 5.682 -2.953 . . . 1.0 . . . . . . . . . . . . A . 7 HIS HE1 . . . . . . . . . rr_2dx4 1 . 6 . 1601 . 1 1 7 HIS HE2 H -7.441 6.542 -1.936 . . . 1.0 . . . . . . . . . . . . A . 7 HIS HE2 . . . . . . . . . rr_2dx4 1 . 6 . 1602 . 1 1 7 HIS N N -5.259 0.785 -3.062 . . . 1.0 . . . . . . . . . . . . A . 7 HIS N . . . . . . . . . rr_2dx4 1 . 6 . 1603 . 1 1 7 HIS ND1 N -8.743 3.765 -2.594 . . . 1.0 . . . . . . . . . . . . A . 7 HIS ND1 . . . . . . . . . rr_2dx4 1 . 6 . 1604 . 1 1 7 HIS NE2 N -7.645 5.577 -2.099 . . . 1.0 . . . . . . . . . . . . A . 7 HIS NE2 . . . . . . . . . rr_2dx4 1 . 6 . 1605 . 1 1 7 HIS O O -7.256 1.937 -5.439 . . . 1.0 . . . . . . . . . . . . A . 7 HIS O . . . . . . . . . rr_2dx4 1 . 6 . 1606 . 1 1 8 ALA C C -5.298 5.667 -4.771 . . . 1.0 . . . . . . . . . . . . A . 8 ALA C . . . . . . . . . rr_2dx4 1 . 6 . 1607 . 1 1 8 ALA CA C -5.987 4.406 -5.294 . . . 1.0 . . . . . . . . . . . . A . 8 ALA CA . . . . . . . . . rr_2dx4 1 . 6 . 1608 . 1 1 8 ALA CB C -7.410 4.680 -5.786 . . . 1.0 . . . . . . . . . . . . A . 8 ALA CB . . . . . . . . . rr_2dx4 1 . 6 . 1609 . 1 1 8 ALA H H -5.538 3.657 -3.403 . . . 1.0 . . . . . . . . . . . . A . 8 ALA H . . . . . . . . . rr_2dx4 1 . 6 . 1610 . 1 1 8 ALA HA H -5.403 3.999 -6.119 . . . 1.0 . . . . . . . . . . . . A . 8 ALA HA . . . . . . . . . rr_2dx4 1 . 6 . 1611 . 1 1 8 ALA HB1 H -8.075 4.790 -4.929 . . . 1.0 . . . . . . . . . . . . A . 8 ALA HB1 . . . . . . . . . rr_2dx4 1 . 6 . 1612 . 1 1 8 ALA HB2 H -7.420 5.598 -6.374 . . . 1.0 . . . . . . . . . . . . A . 8 ALA HB2 . . . . . . . . . rr_2dx4 1 . 6 . 1613 . 1 1 8 ALA HB3 H -7.747 3.848 -6.404 . . . 1.0 . . . . . . . . . . . . A . 8 ALA HB3 . . . . . . . . . rr_2dx4 1 . 6 . 1614 . 1 1 8 ALA N N -6.022 3.406 -4.241 . . . 1.0 . . . . . . . . . . . . A . 8 ALA N . . . . . . . . . rr_2dx4 1 . 6 . 1615 . 1 1 8 ALA O O -4.093 5.663 -4.522 . . . 1.0 . . . . . . . . . . . . A . 8 ALA O . . . . . . . . . rr_2dx4 1 . 6 . 1616 . 1 1 9 LYS C C -4.204 8.246 -4.760 . . . 1.0 . . . . . . . . . . . . A . 9 LYS C . . . . . . . . . rr_2dx4 1 . 6 . 1617 . 1 1 9 LYS CA C -5.573 7.983 -4.129 . . . 1.0 . . . . . . . . . . . . A . 9 LYS CA . . . . . . . . . rr_2dx4 1 . 6 . 1618 . 1 1 9 LYS CB C -5.559 8.001 -2.600 . . . 1.0 . . . . . . . . . . . . A . 9 LYS CB . . . . . . . . . rr_2dx4 1 . 6 . 1619 . 1 1 9 LYS CD C -5.137 9.803 -0.887 . . . 1.0 . . . . . . . . . . . . A . 9 LYS CD . . . . . . . . . rr_2dx4 1 . 6 . 1620 . 1 1 9 LYS CE C -5.276 8.902 0.341 . . . 1.0 . . . . . . . . . . . . A . 9 LYS CE . . . . . . . . . rr_2dx4 1 . 6 . 1621 . 1 1 9 LYS CG C -4.556 9.029 -2.072 . . . 1.0 . . . . . . . . . . . . A . 9 LYS CG . . . . . . . . . rr_2dx4 1 . 6 . 1622 . 1 1 9 LYS H H -7.071 6.712 -4.824 . . . 1.0 . . . . . . . . . . . . A . 9 LYS H . . . . . . . . . rr_2dx4 1 . 6 . 1623 . 1 1 9 LYS HA H -6.259 8.765 -4.455 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HA . . . . . . . . . rr_2dx4 1 . 6 . 1624 . 1 1 9 LYS HB2 H -6.556 8.235 -2.225 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HB2 . . . . . . . . . rr_2dx4 1 . 6 . 1625 . 1 1 9 LYS HB3 H -5.302 7.011 -2.223 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HB3 . . . . . . . . . rr_2dx4 1 . 6 . 1626 . 1 1 9 LYS HD2 H -4.492 10.650 -0.650 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HD2 . . . . . . . . . rr_2dx4 1 . 6 . 1627 . 1 1 9 LYS HD3 H -6.111 10.211 -1.156 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HD3 . . . . . . . . . rr_2dx4 1 . 6 . 1628 . 1 1 9 LYS HE2 H -6.311 8.576 0.445 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HE2 . . . . . . . . . rr_2dx4 1 . 6 . 1629 . 1 1 9 LYS HE3 H -4.671 8.005 0.212 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HE3 . . . . . . . . . rr_2dx4 1 . 6 . 1630 . 1 1 9 LYS HG2 H -3.639 8.525 -1.768 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HG2 . . . . . . . . . rr_2dx4 1 . 6 . 1631 . 1 1 9 LYS HG3 H -4.289 9.723 -2.869 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HG3 . . . . . . . . . rr_2dx4 1 . 6 . 1632 . 1 1 9 LYS HZ1 H -4.940 10.607 1.417 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HZ1 . . . . . . . . . rr_2dx4 1 . 6 . 1633 . 1 1 9 LYS HZ2 H -5.431 9.345 2.330 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HZ2 . . . . . . . . . rr_2dx4 1 . 6 . 1634 . 1 1 9 LYS HZ3 H -3.899 9.399 1.767 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HZ3 . . . . . . . . . rr_2dx4 1 . 6 . 1635 . 1 1 9 LYS N N -6.092 6.717 -4.619 . . . 1.0 . . . . . . . . . . . . A . 9 LYS N . . . . . . . . . rr_2dx4 1 . 6 . 1636 . 1 1 9 LYS NZ N -4.852 9.621 1.563 . . . 1.0 . . . . . . . . . . . . A . 9 LYS NZ . . . . . . . . . rr_2dx4 1 . 6 . 1637 . 1 1 9 LYS O O -3.181 8.188 -4.079 . . . 1.0 . . . . . . . . . . . . A . 9 LYS O . . . . . . . . . rr_2dx4 1 . 6 . 1638 . 1 1 10 ALA C C -2.089 7.578 -6.713 . . . 1.0 . . . . . . . . . . . . A . 10 ALA C . . . . . . . . . rr_2dx4 1 . 6 . 1639 . 1 1 10 ALA CA C -3.002 8.803 -6.784 . . . 1.0 . . . . . . . . . . . . A . 10 ALA CA . . . . . . . . . rr_2dx4 1 . 6 . 1640 . 1 1 10 ALA CB C -2.338 10.059 -6.215 . . . 1.0 . . . . . . . . . . . . A . 10 ALA CB . . . . . . . . . rr_2dx4 1 . 6 . 1641 . 1 1 10 ALA H H -5.065 8.576 -6.600 . . . 1.0 . . . . . . . . . . . . A . 10 ALA H . . . . . . . . . rr_2dx4 1 . 6 . 1642 . 1 1 10 ALA HA H -3.269 8.988 -7.824 . . . 1.0 . . . . . . . . . . . . A . 10 ALA HA . . . . . . . . . rr_2dx4 1 . 6 . 1643 . 1 1 10 ALA HB1 H -2.365 10.854 -6.961 . . . 1.0 . . . . . . . . . . . . A . 10 ALA HB1 . . . . . . . . . rr_2dx4 1 . 6 . 1644 . 1 1 10 ALA HB2 H -2.873 10.380 -5.321 . . . 1.0 . . . . . . . . . . . . A . 10 ALA HB2 . . . . . . . . . rr_2dx4 1 . 6 . 1645 . 1 1 10 ALA HB3 H -1.302 9.837 -5.959 . . . 1.0 . . . . . . . . . . . . A . 10 ALA HB3 . . . . . . . . . rr_2dx4 1 . 6 . 1646 . 1 1 10 ALA N N -4.229 8.531 -6.054 . . . 1.0 . . . . . . . . . . . . A . 10 ALA N . . . . . . . . . rr_2dx4 1 . 6 . 1647 . 1 1 10 ALA O O -0.978 7.656 -6.192 . . . 1.0 . . . . . . . . . . . . A . 10 ALA O . . . . . . . . . rr_2dx4 1 . 6 . 1648 . 1 1 11 GLY C C -1.043 5.070 -5.952 . . . 1.0 . . . . . . . . . . . . A . 11 GLY C . . . . . . . . . rr_2dx4 1 . 6 . 1649 . 1 1 11 GLY CA C -1.835 5.233 -7.250 . . . 1.0 . . . . . . . . . . . . A . 11 GLY CA . . . . . . . . . rr_2dx4 1 . 6 . 1650 . 1 1 11 GLY H H -3.497 6.418 -7.668 . . . 1.0 . . . . . . . . . . . . A . 11 GLY H . . . . . . . . . rr_2dx4 1 . 6 . 1651 . 1 1 11 GLY HA2 H -2.514 4.389 -7.375 . . . 1.0 . . . . . . . . . . . . A . 11 GLY HA2 . . . . . . . . . rr_2dx4 1 . 6 . 1652 . 1 1 11 GLY HA3 H -1.153 5.222 -8.100 . . . 1.0 . . . . . . . . . . . . A . 11 GLY HA3 . . . . . . . . . rr_2dx4 1 . 6 . 1653 . 1 1 11 GLY N N -2.592 6.474 -7.246 . . . 1.0 . . . . . . . . . . . . A . 11 GLY N . . . . . . . . . rr_2dx4 1 . 6 . 1654 . 1 1 11 GLY O O 0.138 4.726 -5.980 . . . 1.0 . . . . . . . . . . . . A . 11 GLY O . . . . . . . . . rr_2dx4 1 . 6 . 1655 . 1 1 12 TYR C C -0.604 3.781 -3.290 . . . 1.0 . . . . . . . . . . . . A . 12 TYR C . . . . . . . . . rr_2dx4 1 . 6 . 1656 . 1 1 12 TYR CA C -1.100 5.208 -3.538 . . . 1.0 . . . . . . . . . . . . A . 12 TYR CA . . . . . . . . . rr_2dx4 1 . 6 . 1657 . 1 1 12 TYR CB C -2.190 5.540 -2.517 . . . 1.0 . . . . . . . . . . . . A . 12 TYR CB . . . . . . . . . rr_2dx4 1 . 6 . 1658 . 1 1 12 TYR CD1 C -0.311 5.749 -0.850 . . . 1.0 . . . . . . . . . . . . A . 12 TYR CD1 . . . . . . . . . rr_2dx4 1 . 6 . 1659 . 1 1 12 TYR CD2 C -2.557 5.931 -0.054 . . . 1.0 . . . . . . . . . . . . A . 12 TYR CD2 . . . . . . . . . rr_2dx4 1 . 6 . 1660 . 1 1 12 TYR CE1 C 0.180 5.944 0.489 . . . 1.0 . . . . . . . . . . . . A . 12 TYR CE1 . . . . . . . . . rr_2dx4 1 . 6 . 1661 . 1 1 12 TYR CE2 C -2.066 6.126 1.286 . . . 1.0 . . . . . . . . . . . . A . 12 TYR CE2 . . . . . . . . . rr_2dx4 1 . 6 . 1662 . 1 1 12 TYR CG C -1.669 5.747 -1.094 . . . 1.0 . . . . . . . . . . . . A . 12 TYR CG . . . . . . . . . rr_2dx4 1 . 6 . 1663 . 1 1 12 TYR CZ C -0.722 6.123 1.491 . . . 1.0 . . . . . . . . . . . . A . 12 TYR CZ . . . . . . . . . rr_2dx4 1 . 6 . 1664 . 1 1 12 TYR H H -2.685 5.601 -4.830 . . . 1.0 . . . . . . . . . . . . A . 12 TYR H . . . . . . . . . rr_2dx4 1 . 6 . 1665 . 1 1 12 TYR HA H -0.250 5.890 -3.510 . . . 1.0 . . . . . . . . . . . . A . 12 TYR HA . . . . . . . . . rr_2dx4 1 . 6 . 1666 . 1 1 12 TYR HB2 H -2.710 6.443 -2.838 . . . 1.0 . . . . . . . . . . . . A . 12 TYR HB2 . . . . . . . . . rr_2dx4 1 . 6 . 1667 . 1 1 12 TYR HB3 H -2.925 4.735 -2.511 . . . 1.0 . . . . . . . . . . . . A . 12 TYR HB3 . . . . . . . . . rr_2dx4 1 . 6 . 1668 . 1 1 12 TYR HD1 H 0.391 5.603 -1.672 . . . 1.0 . . . . . . . . . . . . A . 12 TYR HD1 . . . . . . . . . rr_2dx4 1 . 6 . 1669 . 1 1 12 TYR HD2 H -3.630 5.930 -0.246 . . . 1.0 . . . . . . . . . . . . A . 12 TYR HD2 . . . . . . . . . rr_2dx4 1 . 6 . 1670 . 1 1 12 TYR HE1 H 1.250 5.948 0.696 . . . 1.0 . . . . . . . . . . . . A . 12 TYR HE1 . . . . . . . . . rr_2dx4 1 . 6 . 1671 . 1 1 12 TYR HE2 H -2.757 6.273 2.117 . . . 1.0 . . . . . . . . . . . . A . 12 TYR HE2 . . . . . . . . . rr_2dx4 1 . 6 . 1672 . 1 1 12 TYR HH H -0.744 5.703 3.390 . . . 1.0 . . . . . . . . . . . . A . 12 TYR HH . . . . . . . . . rr_2dx4 1 . 6 . 1673 . 1 1 12 TYR N N -1.725 5.323 -4.844 . . . 1.0 . . . . . . . . . . . . A . 12 TYR N . . . . . . . . . rr_2dx4 1 . 6 . 1674 . 1 1 12 TYR O O 0.149 3.537 -2.349 . . . 1.0 . . . . . . . . . . . . A . 12 TYR O . . . . . . . . . rr_2dx4 1 . 6 . 1675 . 1 1 12 TYR OH O -0.258 6.306 2.757 . . . 1.0 . . . . . . . . . . . . A . 12 TYR OH . . . . . . . . . rr_2dx4 1 . 6 . 1676 . 1 1 13 ILE C C 0.865 1.389 -3.931 . . . 1.0 . . . . . . . . . . . . A . 13 ILE C . . . . . . . . . rr_2dx4 1 . 6 . 1677 . 1 1 13 ILE CA C -0.658 1.482 -4.039 . . . 1.0 . . . . . . . . . . . . A . 13 ILE CA . . . . . . . . . rr_2dx4 1 . 6 . 1678 . 1 1 13 ILE CB C -1.244 0.667 -5.194 . . . 1.0 . . . . . . . . . . . . A . 13 ILE CB . . . . . . . . . rr_2dx4 1 . 6 . 1679 . 1 1 13 ILE CD1 C 0.785 -0.655 -5.898 . . . 1.0 . . . . . . . . . . . . A . 13 ILE CD1 . . . . . . . . . rr_2dx4 1 . 6 . 1680 . 1 1 13 ILE CG1 C -0.606 -0.722 -5.264 . . . 1.0 . . . . . . . . . . . . A . 13 ILE CG1 . . . . . . . . . rr_2dx4 1 . 6 . 1681 . 1 1 13 ILE CG2 C -1.117 1.424 -6.518 . . . 1.0 . . . . . . . . . . . . A . 13 ILE CG2 . . . . . . . . . rr_2dx4 1 . 6 . 1682 . 1 1 13 ILE H H -1.659 3.085 -4.915 . . . 1.0 . . . . . . . . . . . . A . 13 ILE H . . . . . . . . . rr_2dx4 1 . 6 . 1683 . 1 1 13 ILE HA H -1.094 1.095 -3.118 . . . 1.0 . . . . . . . . . . . . A . 13 ILE HA . . . . . . . . . rr_2dx4 1 . 6 . 1684 . 1 1 13 ILE HB H -2.308 0.524 -5.006 . . . 1.0 . . . . . . . . . . . . A . 13 ILE HB . . . . . . . . . rr_2dx4 1 . 6 . 1685 . 1 1 13 ILE HD11 H 0.794 -1.241 -6.817 . . . 1.0 . . . . . . . . . . . . A . 13 ILE HD11 . . . . . . . . . rr_2dx4 1 . 6 . 1686 . 1 1 13 ILE HD12 H 1.031 0.382 -6.126 . . . 1.0 . . . . . . . . . . . . A . 13 ILE HD12 . . . . . . . . . rr_2dx4 1 . 6 . 1687 . 1 1 13 ILE HD13 H 1.521 -1.058 -5.203 . . . 1.0 . . . . . . . . . . . . A . 13 ILE HD13 . . . . . . . . . rr_2dx4 1 . 6 . 1688 . 1 1 13 ILE HG12 H -0.532 -1.143 -4.261 . . . 1.0 . . . . . . . . . . . . A . 13 ILE HG12 . . . . . . . . . rr_2dx4 1 . 6 . 1689 . 1 1 13 ILE HG13 H -1.242 -1.389 -5.844 . . . 1.0 . . . . . . . . . . . . A . 13 ILE HG13 . . . . . . . . . rr_2dx4 1 . 6 . 1690 . 1 1 13 ILE HG21 H -0.938 0.714 -7.326 . . . 1.0 . . . . . . . . . . . . A . 13 ILE HG21 . . . . . . . . . rr_2dx4 1 . 6 . 1691 . 1 1 13 ILE HG22 H -2.039 1.972 -6.713 . . . 1.0 . . . . . . . . . . . . A . 13 ILE HG22 . . . . . . . . . rr_2dx4 1 . 6 . 1692 . 1 1 13 ILE HG23 H -0.284 2.124 -6.458 . . . 1.0 . . . . . . . . . . . . A . 13 ILE HG23 . . . . . . . . . rr_2dx4 1 . 6 . 1693 . 1 1 13 ILE N N -1.047 2.878 -4.152 . . . 1.0 . . . . . . . . . . . . A . 13 ILE N . . . . . . . . . rr_2dx4 1 . 6 . 1694 . 1 1 13 ILE O O 1.585 1.984 -4.731 . . . 1.0 . . . . . . . . . . . . A . 13 ILE O . . . . . . . . . rr_2dx4 1 . 6 . 1695 . 1 1 14 VAL C C 3.080 -1.028 -2.808 . . . 1.0 . . . . . . . . . . . . A . 14 VAL C . . . . . . . . . rr_2dx4 1 . 6 . 1696 . 1 1 14 VAL CA C 2.736 0.459 -2.712 . . . 1.0 . . . . . . . . . . . . A . 14 VAL CA . . . . . . . . . rr_2dx4 1 . 6 . 1697 . 1 1 14 VAL CB C 3.138 1.081 -1.373 . . . 1.0 . . . . . . . . . . . . A . 14 VAL CB . . . . . . . . . rr_2dx4 1 . 6 . 1698 . 1 1 14 VAL CG1 C 3.002 2.604 -1.413 . . . 1.0 . . . . . . . . . . . . A . 14 VAL CG1 . . . . . . . . . rr_2dx4 1 . 6 . 1699 . 1 1 14 VAL CG2 C 2.320 0.487 -0.225 . . . 1.0 . . . . . . . . . . . . A . 14 VAL CG2 . . . . . . . . . rr_2dx4 1 . 6 . 1700 . 1 1 14 VAL H H 0.719 0.157 -2.288 . . . 1.0 . . . . . . . . . . . . A . 14 VAL H . . . . . . . . . rr_2dx4 1 . 6 . 1701 . 1 1 14 VAL HA H 3.262 0.993 -3.503 . . . 1.0 . . . . . . . . . . . . A . 14 VAL HA . . . . . . . . . rr_2dx4 1 . 6 . 1702 . 1 1 14 VAL HB H 4.187 0.843 -1.195 . . . 1.0 . . . . . . . . . . . . A . 14 VAL HB . . . . . . . . . rr_2dx4 1 . 6 . 1703 . 1 1 14 VAL HG11 H 2.206 2.880 -2.105 . . . 1.0 . . . . . . . . . . . . A . 14 VAL HG11 . . . . . . . . . rr_2dx4 1 . 6 . 1704 . 1 1 14 VAL HG12 H 2.760 2.974 -0.416 . . . 1.0 . . . . . . . . . . . . A . 14 VAL HG12 . . . . . . . . . rr_2dx4 1 . 6 . 1705 . 1 1 14 VAL HG13 H 3.942 3.045 -1.745 . . . 1.0 . . . . . . . . . . . . A . 14 VAL HG13 . . . . . . . . . rr_2dx4 1 . 6 . 1706 . 1 1 14 VAL HG21 H 2.989 0.000 0.485 . . . 1.0 . . . . . . . . . . . . A . 14 VAL HG21 . . . . . . . . . rr_2dx4 1 . 6 . 1707 . 1 1 14 VAL HG22 H 1.771 1.282 0.280 . . . 1.0 . . . . . . . . . . . . A . 14 VAL HG22 . . . . . . . . . rr_2dx4 1 . 6 . 1708 . 1 1 14 VAL HG23 H 1.616 -0.245 -0.621 . . . 1.0 . . . . . . . . . . . . A . 14 VAL HG23 . . . . . . . . . rr_2dx4 1 . 6 . 1709 . 1 1 14 VAL N N 1.311 0.638 -2.935 . . . 1.0 . . . . . . . . . . . . A . 14 VAL N . . . . . . . . . rr_2dx4 1 . 6 . 1710 . 1 1 14 VAL O O 2.254 -1.834 -3.234 . . . 1.0 . . . . . . . . . . . . A . 14 VAL O . . . . . . . . . rr_2dx4 1 . 6 . 1711 . 1 1 15 HIS C C 5.604 -3.015 -1.194 . . . 1.0 . . . . . . . . . . . . A . 15 HIS C . . . . . . . . . rr_2dx4 1 . 6 . 1712 . 1 1 15 HIS CA C 4.765 -2.724 -2.440 . . . 1.0 . . . . . . . . . . . . A . 15 HIS CA . . . . . . . . . rr_2dx4 1 . 6 . 1713 . 1 1 15 HIS CB C 5.516 -3.011 -3.741 . . . 1.0 . . . . . . . . . . . . A . 15 HIS CB . . . . . . . . . rr_2dx4 1 . 6 . 1714 . 1 1 15 HIS CD2 C 3.463 -3.436 -5.302 . . . 1.0 . . . . . . . . . . . . A . 15 HIS CD2 . . . . . . . . . rr_2dx4 1 . 6 . 1715 . 1 1 15 HIS CE1 C 4.092 -2.192 -6.989 . . . 1.0 . . . . . . . . . . . . A . 15 HIS CE1 . . . . . . . . . rr_2dx4 1 . 6 . 1716 . 1 1 15 HIS CG C 4.667 -2.880 -4.983 . . . 1.0 . . . . . . . . . . . . A . 15 HIS CG . . . . . . . . . rr_2dx4 1 . 6 . 1717 . 1 1 15 HIS H H 4.967 -0.686 -2.059 . . . 1.0 . . . . . . . . . . . . A . 15 HIS H . . . . . . . . . rr_2dx4 1 . 6 . 1718 . 1 1 15 HIS HA H 3.875 -3.354 -2.424 . . . 1.0 . . . . . . . . . . . . A . 15 HIS HA . . . . . . . . . rr_2dx4 1 . 6 . 1719 . 1 1 15 HIS HB2 H 6.363 -2.329 -3.818 . . . 1.0 . . . . . . . . . . . . A . 15 HIS HB2 . . . . . . . . . rr_2dx4 1 . 6 . 1720 . 1 1 15 HIS HB3 H 5.925 -4.021 -3.698 . . . 1.0 . . . . . . . . . . . . A . 15 HIS HB3 . . . . . . . . . rr_2dx4 1 . 6 . 1721 . 1 1 15 HIS HD1 H 5.878 -1.564 -6.139 . . . 1.0 . . . . . . . . . . . . A . 15 HIS HD1 . . . . . . . . . rr_2dx4 1 . 6 . 1722 . 1 1 15 HIS HD2 H 2.884 -4.108 -4.669 . . . 1.0 . . . . . . . . . . . . A . 15 HIS HD2 . . . . . . . . . rr_2dx4 1 . 6 . 1723 . 1 1 15 HIS HE1 H 4.093 -1.694 -7.958 . . . 1.0 . . . . . . . . . . . . A . 15 HIS HE1 . . . . . . . . . rr_2dx4 1 . 6 . 1724 . 1 1 15 HIS HE2 H 2.306 -3.314 -7.020 . . . 1.0 . . . . . . . . . . . . A . 15 HIS HE2 . . . . . . . . . rr_2dx4 1 . 6 . 1725 . 1 1 15 HIS N N 4.301 -1.348 -2.404 . . . 1.0 . . . . . . . . . . . . A . 15 HIS N . . . . . . . . . rr_2dx4 1 . 6 . 1726 . 1 1 15 HIS ND1 N 5.038 -2.102 -6.066 . . . 1.0 . . . . . . . . . . . . A . 15 HIS ND1 . . . . . . . . . rr_2dx4 1 . 6 . 1727 . 1 1 15 HIS NE2 N 3.117 -3.019 -6.513 . . . 1.0 . . . . . . . . . . . . A . 15 HIS NE2 . . . . . . . . . rr_2dx4 1 . 6 . 1728 . 1 1 15 HIS O O 6.690 -3.583 -1.291 . . . 1.0 . . . . . . . . . . . . A . 15 HIS O . . . . . . . . . rr_2dx4 1 . 6 . 1729 . 1 1 16 TRP C C 5.786 -4.328 1.488 . . . 1.0 . . . . . . . . . . . . A . 16 TRP C . . . . . . . . . rr_2dx4 1 . 6 . 1730 . 1 1 16 TRP CA C 5.752 -2.824 1.213 . . . 1.0 . . . . . . . . . . . . A . 16 TRP CA . . . . . . . . . rr_2dx4 1 . 6 . 1731 . 1 1 16 TRP CB C 5.089 -2.025 2.336 . . . 1.0 . . . . . . . . . . . . A . 16 TRP CB . . . . . . . . . rr_2dx4 1 . 6 . 1732 . 1 1 16 TRP CD1 C 3.975 0.290 2.581 . . . 1.0 . . . . . . . . . . . . A . 16 TRP CD1 . . . . . . . . . rr_2dx4 1 . 6 . 1733 . 1 1 16 TRP CD2 C 5.445 0.197 0.926 . . . 1.0 . . . . . . . . . . . . A . 16 TRP CD2 . . . . . . . . . rr_2dx4 1 . 6 . 1734 . 1 1 16 TRP CE2 C 4.929 1.477 0.948 . . . 1.0 . . . . . . . . . . . . A . 16 TRP CE2 . . . . . . . . . rr_2dx4 1 . 6 . 1735 . 1 1 16 TRP CE3 C 6.413 -0.186 -0.019 . . . 1.0 . . . . . . . . . . . . A . 16 TRP CE3 . . . . . . . . . rr_2dx4 1 . 6 . 1736 . 1 1 16 TRP CG C 4.823 -0.560 1.985 . . . 1.0 . . . . . . . . . . . . A . 16 TRP CG . . . . . . . . . rr_2dx4 1 . 6 . 1737 . 1 1 16 TRP CH2 C 6.282 2.117 -0.902 . . . 1.0 . . . . . . . . . . . . A . 16 TRP CH2 . . . . . . . . . rr_2dx4 1 . 6 . 1738 . 1 1 16 TRP CZ2 C 5.319 2.476 0.048 . . . 1.0 . . . . . . . . . . . . A . 16 TRP CZ2 . . . . . . . . . rr_2dx4 1 . 6 . 1739 . 1 1 16 TRP CZ3 C 6.793 0.824 -0.911 . . . 1.0 . . . . . . . . . . . . A . 16 TRP CZ3 . . . . . . . . . rr_2dx4 1 . 6 . 1740 . 1 1 16 TRP H H 4.182 -2.152 0.020 . . . 1.0 . . . . . . . . . . . . A . 16 TRP H . . . . . . . . . rr_2dx4 1 . 6 . 1741 . 1 1 16 TRP HA H 6.768 -2.441 1.109 . . . 1.0 . . . . . . . . . . . . A . 16 TRP HA . . . . . . . . . rr_2dx4 1 . 6 . 1742 . 1 1 16 TRP HB2 H 4.144 -2.502 2.598 . . . 1.0 . . . . . . . . . . . . A . 16 TRP HB2 . . . . . . . . . rr_2dx4 1 . 6 . 1743 . 1 1 16 TRP HB3 H 5.723 -2.067 3.222 . . . 1.0 . . . . . . . . . . . . A . 16 TRP HB3 . . . . . . . . . rr_2dx4 1 . 6 . 1744 . 1 1 16 TRP HD1 H 3.342 0.032 3.429 . . . 1.0 . . . . . . . . . . . . A . 16 TRP HD1 . . . . . . . . . rr_2dx4 1 . 6 . 1745 . 1 1 16 TRP HE1 H 3.416 2.404 2.277 . . . 1.0 . . . . . . . . . . . . A . 16 TRP HE1 . . . . . . . . . rr_2dx4 1 . 6 . 1746 . 1 1 16 TRP HE3 H 6.837 -1.190 -0.056 . . . 1.0 . . . . . . . . . . . . A . 16 TRP HE3 . . . . . . . . . rr_2dx4 1 . 6 . 1747 . 1 1 16 TRP HH2 H 6.630 2.848 -1.632 . . . 1.0 . . . . . . . . . . . . A . 16 TRP HH2 . . . . . . . . . rr_2dx4 1 . 6 . 1748 . 1 1 16 TRP HZ2 H 4.896 3.480 0.086 . . . 1.0 . . . . . . . . . . . . A . 16 TRP HZ2 . . . . . . . . . rr_2dx4 1 . 6 . 1749 . 1 1 16 TRP HZ3 H 7.541 0.580 -1.665 . . . 1.0 . . . . . . . . . . . . A . 16 TRP HZ3 . . . . . . . . . rr_2dx4 1 . 6 . 1750 . 1 1 16 TRP N N 5.067 -2.613 -0.051 . . . 1.0 . . . . . . . . . . . . A . 16 TRP N . . . . . . . . . rr_2dx4 1 . 6 . 1751 . 1 1 16 TRP NE1 N 4.007 1.535 1.986 . . . 1.0 . . . . . . . . . . . . A . 16 TRP NE1 . . . . . . . . . rr_2dx4 1 . 6 . 1752 . 1 1 16 TRP O O 5.433 -5.129 0.623 . . . 1.0 . . . . . . . . . . . . A . 16 TRP O . . . . . . . . . rr_2dx4 1 . 6 . 1753 . 1 1 17 THR C C 5.860 -6.226 4.552 . . . 1.0 . . . . . . . . . . . . A . 17 THR C . . . . . . . . . rr_2dx4 1 . 6 . 1754 . 1 1 17 THR CA C 6.297 -6.062 3.095 . . . 1.0 . . . . . . . . . . . . A . 17 THR CA . . . . . . . . . rr_2dx4 1 . 6 . 1755 . 1 1 17 THR CB C 7.724 -6.545 2.830 . . . 1.0 . . . . . . . . . . . . A . 17 THR CB . . . . . . . . . rr_2dx4 1 . 6 . 1756 . 1 1 17 THR CG2 C 8.047 -6.627 1.336 . . . 1.0 . . . . . . . . . . . . A . 17 THR CG2 . . . . . . . . . rr_2dx4 1 . 6 . 1757 . 1 1 17 THR H H 6.498 -4.010 3.393 . . . 1.0 . . . . . . . . . . . . A . 17 THR H . . . . . . . . . rr_2dx4 1 . 6 . 1758 . 1 1 17 THR HA H 5.599 -6.637 2.486 . . . 1.0 . . . . . . . . . . . . A . 17 THR HA . . . . . . . . . rr_2dx4 1 . 6 . 1759 . 1 1 17 THR HB H 7.910 -7.500 3.322 . . . 1.0 . . . . . . . . . . . . A . 17 THR HB . . . . . . . . . rr_2dx4 1 . 6 . 1760 . 1 1 17 THR HG1 H 8.279 -4.622 2.864 . . . 1.0 . . . . . . . . . . . . A . 17 THR HG1 . . . . . . . . . rr_2dx4 1 . 6 . 1761 . 1 1 17 THR HG21 H 8.618 -7.534 1.138 . . . 1.0 . . . . . . . . . . . . A . 17 THR HG21 . . . . . . . . . rr_2dx4 1 . 6 . 1762 . 1 1 17 THR HG22 H 7.119 -6.650 0.765 . . . 1.0 . . . . . . . . . . . . A . 17 THR HG22 . . . . . . . . . rr_2dx4 1 . 6 . 1763 . 1 1 17 THR HG23 H 8.633 -5.757 1.043 . . . 1.0 . . . . . . . . . . . . A . 17 THR HG23 . . . . . . . . . rr_2dx4 1 . 6 . 1764 . 1 1 17 THR N N 6.213 -4.668 2.695 . . . 1.0 . . . . . . . . . . . . A . 17 THR N . . . . . . . . . rr_2dx4 1 . 6 . 1765 . 1 1 17 THR O O 5.566 -5.243 5.230 . . . 1.0 . . . . . . . . . . . . A . 17 THR O . . . . . . . . . rr_2dx4 1 . 6 . 1766 . 1 1 17 THR OG1 O 8.544 -5.480 3.304 . . . 1.0 . . . . . . . . . . . . A . 17 THR OG1 . . . . . . . . . rr_2dx4 1 . 6 . 1767 . 1 1 18 ALA C C 6.612 -7.508 7.296 . . . 1.0 . . . . . . . . . . . . A . 18 ALA C . . . . . . . . . rr_2dx4 1 . 6 . 1768 . 1 1 18 ALA CA C 5.437 -7.782 6.355 . . . 1.0 . . . . . . . . . . . . A . 18 ALA CA . . . . . . . . . rr_2dx4 1 . 6 . 1769 . 1 1 18 ALA CB C 4.953 -9.231 6.434 . . . 1.0 . . . . . . . . . . . . A . 18 ALA CB . . . . . . . . . rr_2dx4 1 . 6 . 1770 . 1 1 18 ALA H H 6.073 -8.270 4.432 . . . 1.0 . . . . . . . . . . . . A . 18 ALA H . . . . . . . . . rr_2dx4 1 . 6 . 1771 . 1 1 18 ALA HA H 4.611 -7.121 6.617 . . . 1.0 . . . . . . . . . . . . A . 18 ALA HA . . . . . . . . . rr_2dx4 1 . 6 . 1772 . 1 1 18 ALA HB1 H 5.669 -9.881 5.932 . . . 1.0 . . . . . . . . . . . . A . 18 ALA HB1 . . . . . . . . . rr_2dx4 1 . 6 . 1773 . 1 1 18 ALA HB2 H 4.863 -9.528 7.479 . . . 1.0 . . . . . . . . . . . . A . 18 ALA HB2 . . . . . . . . . rr_2dx4 1 . 6 . 1774 . 1 1 18 ALA HB3 H 3.981 -9.316 5.947 . . . 1.0 . . . . . . . . . . . . A . 18 ALA HB3 . . . . . . . . . rr_2dx4 1 . 6 . 1775 . 1 1 18 ALA N N 5.832 -7.476 4.991 . . . 1.0 . . . . . . . . . . . . A . 18 ALA N . . . . . . . . . rr_2dx4 1 . 6 . 1776 . 1 1 18 ALA O O 6.907 -8.314 8.177 . . . 1.0 . . . . . . . . . . . . A . 18 ALA O . . . . . . . . . rr_2dx4 1 . 7 . 1777 . 1 1 1 ILE C C 3.087 -3.893 7.126 . . . 1.0 . . . . . . . . . . . . A . 1 ILE C . . . . . . . . . rr_2dx4 1 . 7 . 1778 . 1 1 1 ILE CA C 3.389 -4.021 8.620 . . . 1.0 . . . . . . . . . . . . A . 1 ILE CA . . . . . . . . . rr_2dx4 1 . 7 . 1779 . 1 1 1 ILE CB C 2.142 -4.208 9.486 . . . 1.0 . . . . . . . . . . . . A . 1 ILE CB . . . . . . . . . rr_2dx4 1 . 7 . 1780 . 1 1 1 ILE CD1 C 1.347 -3.517 11.777 . . . 1.0 . . . . . . . . . . . . A . 1 ILE CD1 . . . . . . . . . rr_2dx4 1 . 7 . 1781 . 1 1 1 ILE CG1 C 2.492 -4.137 10.974 . . . 1.0 . . . . . . . . . . . . A . 1 ILE CG1 . . . . . . . . . rr_2dx4 1 . 7 . 1782 . 1 1 1 ILE CG2 C 1.416 -5.507 9.129 . . . 1.0 . . . . . . . . . . . . A . 1 ILE CG2 . . . . . . . . . rr_2dx4 1 . 7 . 1783 . 1 1 1 ILE H1 H 4.943 -3.065 9.624 . . . 1.0 . . . . . . . . . . . . A . 1 ILE H1 . . . . . . . . . rr_2dx4 1 . 7 . 1784 . 1 1 1 ILE HA H 4.020 -4.897 8.770 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HA . . . . . . . . . rr_2dx4 1 . 7 . 1785 . 1 1 1 ILE HB H 1.455 -3.388 9.277 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HB . . . . . . . . . rr_2dx4 1 . 7 . 1786 . 1 1 1 ILE HD11 H 0.562 -4.259 11.924 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HD11 . . . . . . . . . rr_2dx4 1 . 7 . 1787 . 1 1 1 ILE HD12 H 1.720 -3.186 12.746 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HD12 . . . . . . . . . rr_2dx4 1 . 7 . 1788 . 1 1 1 ILE HD13 H 0.942 -2.663 11.234 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HD13 . . . . . . . . . rr_2dx4 1 . 7 . 1789 . 1 1 1 ILE HG12 H 2.704 -5.137 11.349 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HG12 . . . . . . . . . rr_2dx4 1 . 7 . 1790 . 1 1 1 ILE HG13 H 3.398 -3.546 11.110 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HG13 . . . . . . . . . rr_2dx4 1 . 7 . 1791 . 1 1 1 ILE HG21 H 0.865 -5.371 8.199 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HG21 . . . . . . . . . rr_2dx4 1 . 7 . 1792 . 1 1 1 ILE HG22 H 2.145 -6.308 9.007 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HG22 . . . . . . . . . rr_2dx4 1 . 7 . 1793 . 1 1 1 ILE HG23 H 0.722 -5.766 9.929 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HG23 . . . . . . . . . rr_2dx4 1 . 7 . 1794 . 1 1 1 ILE N N 4.145 -2.860 9.059 . . . 1.0 . . . . . . . . . . . . A . 1 ILE N . . . . . . . . . rr_2dx4 1 . 7 . 1795 . 1 1 1 ILE O O 3.303 -2.836 6.534 . . . 1.0 . . . . . . . . . . . . A . 1 ILE O . . . . . . . . . rr_2dx4 1 . 7 . 1796 . 1 1 2 ASN C C 1.068 -4.076 4.892 . . . 1.0 . . . . . . . . . . . . A . 2 ASN C . . . . . . . . . rr_2dx4 1 . 7 . 1797 . 1 1 2 ASN CA C 2.257 -5.005 5.145 . . . 1.0 . . . . . . . . . . . . A . 2 ASN CA . . . . . . . . . rr_2dx4 1 . 7 . 1798 . 1 1 2 ASN CB C 1.861 -6.413 4.694 . . . 1.0 . . . . . . . . . . . . A . 2 ASN CB . . . . . . . . . rr_2dx4 1 . 7 . 1799 . 1 1 2 ASN CG C 1.186 -6.380 3.322 . . . 1.0 . . . . . . . . . . . . A . 2 ASN CG . . . . . . . . . rr_2dx4 1 . 7 . 1800 . 1 1 2 ASN H H 2.419 -5.838 7.047 . . . 1.0 . . . . . . . . . . . . A . 2 ASN H . . . . . . . . . rr_2dx4 1 . 7 . 1801 . 1 1 2 ASN HA H 3.160 -4.675 4.632 . . . 1.0 . . . . . . . . . . . . A . 2 ASN HA . . . . . . . . . rr_2dx4 1 . 7 . 1802 . 1 1 2 ASN HB2 H 2.746 -7.047 4.653 . . . 1.0 . . . . . . . . . . . . A . 2 ASN HB2 . . . . . . . . . rr_2dx4 1 . 7 . 1803 . 1 1 2 ASN HB3 H 1.185 -6.856 5.426 . . . 1.0 . . . . . . . . . . . . A . 2 ASN HB3 . . . . . . . . . rr_2dx4 1 . 7 . 1804 . 1 1 2 ASN HD21 H 2.838 -5.471 2.584 . . . 1.0 . . . . . . . . . . . . A . 2 ASN HD21 . . . . . . . . . rr_2dx4 1 . 7 . 1805 . 1 1 2 ASN HD22 H 1.572 -5.753 1.435 . . . 1.0 . . . . . . . . . . . . A . 2 ASN HD22 . . . . . . . . . rr_2dx4 1 . 7 . 1806 . 1 1 2 ASN N N 2.591 -4.983 6.559 . . . 1.0 . . . . . . . . . . . . A . 2 ASN N . . . . . . . . . rr_2dx4 1 . 7 . 1807 . 1 1 2 ASN ND2 N 1.927 -5.822 2.368 . . . 1.0 . . . . . . . . . . . . A . 2 ASN ND2 . . . . . . . . . rr_2dx4 1 . 7 . 1808 . 1 1 2 ASN O O -0.084 -4.498 4.981 . . . 1.0 . . . . . . . . . . . . A . 2 ASN O . . . . . . . . . rr_2dx4 1 . 7 . 1809 . 1 1 2 ASN OD1 O 0.067 -6.831 3.140 . . . 1.0 . . . . . . . . . . . . A . 2 ASN OD1 . . . . . . . . . rr_2dx4 1 . 7 . 1810 . 1 1 3 TYR C C 0.119 -1.688 2.811 . . . 1.0 . . . . . . . . . . . . A . 3 TYR C . . . . . . . . . rr_2dx4 1 . 7 . 1811 . 1 1 3 TYR CA C 0.361 -1.836 4.314 . . . 1.0 . . . . . . . . . . . . A . 3 TYR CA . . . . . . . . . rr_2dx4 1 . 7 . 1812 . 1 1 3 TYR CB C 0.899 -0.514 4.865 . . . 1.0 . . . . . . . . . . . . A . 3 TYR CB . . . . . . . . . rr_2dx4 1 . 7 . 1813 . 1 1 3 TYR CD1 C 0.627 -1.032 7.317 . . . 1.0 . . . . . . . . . . . . A . 3 TYR CD1 . . . . . . . . . rr_2dx4 1 . 7 . 1814 . 1 1 3 TYR CD2 C 2.759 -0.274 6.549 . . . 1.0 . . . . . . . . . . . . A . 3 TYR CD2 . . . . . . . . . rr_2dx4 1 . 7 . 1815 . 1 1 3 TYR CE1 C 1.142 -1.123 8.659 . . . 1.0 . . . . . . . . . . . . A . 3 TYR CE1 . . . . . . . . . rr_2dx4 1 . 7 . 1816 . 1 1 3 TYR CE2 C 3.275 -0.364 7.891 . . . 1.0 . . . . . . . . . . . . A . 3 TYR CE2 . . . . . . . . . rr_2dx4 1 . 7 . 1817 . 1 1 3 TYR CG C 1.446 -0.610 6.290 . . . 1.0 . . . . . . . . . . . . A . 3 TYR CG . . . . . . . . . rr_2dx4 1 . 7 . 1818 . 1 1 3 TYR CZ C 2.440 -0.784 8.879 . . . 1.0 . . . . . . . . . . . . A . 3 TYR CZ . . . . . . . . . rr_2dx4 1 . 7 . 1819 . 1 1 3 TYR H H 2.328 -2.493 4.511 . . . 1.0 . . . . . . . . . . . . A . 3 TYR H . . . . . . . . . rr_2dx4 1 . 7 . 1820 . 1 1 3 TYR HA H -0.560 -2.169 4.792 . . . 1.0 . . . . . . . . . . . . A . 3 TYR HA . . . . . . . . . rr_2dx4 1 . 7 . 1821 . 1 1 3 TYR HB2 H 1.689 -0.153 4.207 . . . 1.0 . . . . . . . . . . . . A . 3 TYR HB2 . . . . . . . . . rr_2dx4 1 . 7 . 1822 . 1 1 3 TYR HB3 H 0.101 0.229 4.842 . . . 1.0 . . . . . . . . . . . . A . 3 TYR HB3 . . . . . . . . . rr_2dx4 1 . 7 . 1823 . 1 1 3 TYR HD1 H -0.411 -1.298 7.113 . . . 1.0 . . . . . . . . . . . . A . 3 TYR HD1 . . . . . . . . . rr_2dx4 1 . 7 . 1824 . 1 1 3 TYR HD2 H 3.407 0.060 5.738 . . . 1.0 . . . . . . . . . . . . A . 3 TYR HD2 . . . . . . . . . rr_2dx4 1 . 7 . 1825 . 1 1 3 TYR HE1 H 0.506 -1.455 9.479 . . . 1.0 . . . . . . . . . . . . A . 3 TYR HE1 . . . . . . . . . rr_2dx4 1 . 7 . 1826 . 1 1 3 TYR HE2 H 4.310 -0.102 8.109 . . . 1.0 . . . . . . . . . . . . A . 3 TYR HE2 . . . . . . . . . rr_2dx4 1 . 7 . 1827 . 1 1 3 TYR HH H 3.760 -1.422 10.156 . . . 1.0 . . . . . . . . . . . . A . 3 TYR HH . . . . . . . . . rr_2dx4 1 . 7 . 1828 . 1 1 3 TYR N N 1.388 -2.828 4.581 . . . 1.0 . . . . . . . . . . . . A . 3 TYR N . . . . . . . . . rr_2dx4 1 . 7 . 1829 . 1 1 3 TYR O O 0.110 -0.576 2.286 . . . 1.0 . . . . . . . . . . . . A . 3 TYR O . . . . . . . . . rr_2dx4 1 . 7 . 1830 . 1 1 3 TYR OH O 2.927 -0.869 10.147 . . . 1.0 . . . . . . . . . . . . A . 3 TYR OH . . . . . . . . . rr_2dx4 1 . 7 . 1831 . 1 1 4 TRP C C -1.321 -1.730 0.409 . . . 1.0 . . . . . . . . . . . . A . 4 TRP C . . . . . . . . . rr_2dx4 1 . 7 . 1832 . 1 1 4 TRP CA C -0.315 -2.837 0.727 . . . 1.0 . . . . . . . . . . . . A . 4 TRP CA . . . . . . . . . rr_2dx4 1 . 7 . 1833 . 1 1 4 TRP CB C -0.778 -4.218 0.260 . . . 1.0 . . . . . . . . . . . . A . 4 TRP CB . . . . . . . . . rr_2dx4 1 . 7 . 1834 . 1 1 4 TRP CD1 C 0.167 -3.739 -2.093 . . . 1.0 . . . . . . . . . . . . A . 4 TRP CD1 . . . . . . . . . rr_2dx4 1 . 7 . 1835 . 1 1 4 TRP CD2 C -0.582 -5.811 -1.857 . . . 1.0 . . . . . . . . . . . . A . 4 TRP CD2 . . . . . . . . . rr_2dx4 1 . 7 . 1836 . 1 1 4 TRP CE2 C -0.109 -5.688 -3.147 . . . 1.0 . . . . . . . . . . . . A . 4 TRP CE2 . . . . . . . . . rr_2dx4 1 . 7 . 1837 . 1 1 4 TRP CE3 C -1.130 -7.018 -1.389 . . . 1.0 . . . . . . . . . . . . A . 4 TRP CE3 . . . . . . . . . rr_2dx4 1 . 7 . 1838 . 1 1 4 TRP CG C -0.399 -4.546 -1.185 . . . 1.0 . . . . . . . . . . . . A . 4 TRP CG . . . . . . . . . rr_2dx4 1 . 7 . 1839 . 1 1 4 TRP CH2 C -0.677 -7.947 -3.632 . . . 1.0 . . . . . . . . . . . . A . 4 TRP CH2 . . . . . . . . . rr_2dx4 1 . 7 . 1840 . 1 1 4 TRP CZ2 C -0.136 -6.735 -4.076 . . . 1.0 . . . . . . . . . . . . A . 4 TRP CZ2 . . . . . . . . . rr_2dx4 1 . 7 . 1841 . 1 1 4 TRP CZ3 C -1.149 -8.055 -2.330 . . . 1.0 . . . . . . . . . . . . A . 4 TRP CZ3 . . . . . . . . . rr_2dx4 1 . 7 . 1842 . 1 1 4 TRP H H -0.064 -3.727 2.594 . . . 1.0 . . . . . . . . . . . . A . 4 TRP H . . . . . . . . . rr_2dx4 1 . 7 . 1843 . 1 1 4 TRP HA H 0.633 -2.635 0.228 . . . 1.0 . . . . . . . . . . . . A . 4 TRP HA . . . . . . . . . rr_2dx4 1 . 7 . 1844 . 1 1 4 TRP HB2 H -0.351 -4.975 0.918 . . . 1.0 . . . . . . . . . . . . A . 4 TRP HB2 . . . . . . . . . rr_2dx4 1 . 7 . 1845 . 1 1 4 TRP HB3 H -1.862 -4.281 0.364 . . . 1.0 . . . . . . . . . . . . A . 4 TRP HB3 . . . . . . . . . rr_2dx4 1 . 7 . 1846 . 1 1 4 TRP HD1 H 0.440 -2.701 -1.905 . . . 1.0 . . . . . . . . . . . . A . 4 TRP HD1 . . . . . . . . . rr_2dx4 1 . 7 . 1847 . 1 1 4 TRP HE1 H 0.802 -3.960 -4.196 . . . 1.0 . . . . . . . . . . . . A . 4 TRP HE1 . . . . . . . . . rr_2dx4 1 . 7 . 1848 . 1 1 4 TRP HE3 H -1.510 -7.141 -0.375 . . . 1.0 . . . . . . . . . . . . A . 4 TRP HE3 . . . . . . . . . rr_2dx4 1 . 7 . 1849 . 1 1 4 TRP HH2 H -0.728 -8.803 -4.306 . . . 1.0 . . . . . . . . . . . . A . 4 TRP HH2 . . . . . . . . . rr_2dx4 1 . 7 . 1850 . 1 1 4 TRP HZ2 H 0.245 -6.612 -5.090 . . . 1.0 . . . . . . . . . . . . A . 4 TRP HZ2 . . . . . . . . . rr_2dx4 1 . 7 . 1851 . 1 1 4 TRP HZ3 H -1.564 -9.014 -2.019 . . . 1.0 . . . . . . . . . . . . A . 4 TRP HZ3 . . . . . . . . . rr_2dx4 1 . 7 . 1852 . 1 1 4 TRP N N -0.073 -2.826 2.160 . . . 1.0 . . . . . . . . . . . . A . 4 TRP N . . . . . . . . . rr_2dx4 1 . 7 . 1853 . 1 1 4 TRP NE1 N 0.361 -4.388 -3.295 . . . 1.0 . . . . . . . . . . . . A . 4 TRP NE1 . . . . . . . . . rr_2dx4 1 . 7 . 1854 . 1 1 4 TRP O O -0.939 -0.645 -0.026 . . . 1.0 . . . . . . . . . . . . A . 4 TRP O . . . . . . . . . rr_2dx4 1 . 7 . 1855 . 1 1 5 LEU C C -3.402 -0.399 -0.962 . . . 1.0 . . . . . . . . . . . . A . 5 LEU C . . . . . . . . . rr_2dx4 1 . 7 . 1856 . 1 1 5 LEU CA C -3.652 -1.086 0.382 . . . 1.0 . . . . . . . . . . . . A . 5 LEU CA . . . . . . . . . rr_2dx4 1 . 7 . 1857 . 1 1 5 LEU CB C -3.792 -0.112 1.554 . . . 1.0 . . . . . . . . . . . . A . 5 LEU CB . . . . . . . . . rr_2dx4 1 . 7 . 1858 . 1 1 5 LEU CD1 C -3.610 2.225 0.624 . . . 1.0 . . . . . . . . . . . . A . 5 LEU CD1 . . . . . . . . . rr_2dx4 1 . 7 . 1859 . 1 1 5 LEU CD2 C -5.778 0.927 0.399 . . . 1.0 . . . . . . . . . . . . A . 5 LEU CD2 . . . . . . . . . rr_2dx4 1 . 7 . 1860 . 1 1 5 LEU CG C -4.541 1.189 1.259 . . . 1.0 . . . . . . . . . . . . A . 5 LEU CG . . . . . . . . . rr_2dx4 1 . 7 . 1861 . 1 1 5 LEU H H -2.891 -2.926 0.993 . . . 1.0 . . . . . . . . . . . . A . 5 LEU H . . . . . . . . . rr_2dx4 1 . 7 . 1862 . 1 1 5 LEU HA H -4.585 -1.646 0.316 . . . 1.0 . . . . . . . . . . . . A . 5 LEU HA . . . . . . . . . rr_2dx4 1 . 7 . 1863 . 1 1 5 LEU HB2 H -4.304 -0.625 2.368 . . . 1.0 . . . . . . . . . . . . A . 5 LEU HB2 . . . . . . . . . rr_2dx4 1 . 7 . 1864 . 1 1 5 LEU HB3 H -2.794 0.139 1.913 . . . 1.0 . . . . . . . . . . . . A . 5 LEU HB3 . . . . . . . . . rr_2dx4 1 . 7 . 1865 . 1 1 5 LEU HD11 H -2.684 1.740 0.315 . . . 1.0 . . . . . . . . . . . . A . 5 LEU HD11 . . . . . . . . . rr_2dx4 1 . 7 . 1866 . 1 1 5 LEU HD12 H -4.097 2.665 -0.246 . . . 1.0 . . . . . . . . . . . . A . 5 LEU HD12 . . . . . . . . . rr_2dx4 1 . 7 . 1867 . 1 1 5 LEU HD13 H -3.387 3.007 1.350 . . . 1.0 . . . . . . . . . . . . A . 5 LEU HD13 . . . . . . . . . rr_2dx4 1 . 7 . 1868 . 1 1 5 LEU HD21 H -6.676 1.124 0.984 . . . 1.0 . . . . . . . . . . . . A . 5 LEU HD21 . . . . . . . . . rr_2dx4 1 . 7 . 1869 . 1 1 5 LEU HD22 H -5.761 1.583 -0.472 . . . 1.0 . . . . . . . . . . . . A . 5 LEU HD22 . . . . . . . . . rr_2dx4 1 . 7 . 1870 . 1 1 5 LEU HD23 H -5.779 -0.112 0.071 . . . 1.0 . . . . . . . . . . . . A . 5 LEU HD23 . . . . . . . . . rr_2dx4 1 . 7 . 1871 . 1 1 5 LEU HG H -4.888 1.606 2.204 . . . 1.0 . . . . . . . . . . . . A . 5 LEU HG . . . . . . . . . rr_2dx4 1 . 7 . 1872 . 1 1 5 LEU N N -2.588 -2.042 0.639 . . . 1.0 . . . . . . . . . . . . A . 5 LEU N . . . . . . . . . rr_2dx4 1 . 7 . 1873 . 1 1 5 LEU O O -3.893 0.703 -1.201 . . . 1.0 . . . . . . . . . . . . A . 5 LEU O . . . . . . . . . rr_2dx4 1 . 7 . 1874 . 1 1 6 ALA C C -3.598 -0.050 -3.790 . . . 1.0 . . . . . . . . . . . . A . 6 ALA C . . . . . . . . . rr_2dx4 1 . 7 . 1875 . 1 1 6 ALA CA C -2.317 -0.548 -3.118 . . . 1.0 . . . . . . . . . . . . A . 6 ALA CA . . . . . . . . . rr_2dx4 1 . 7 . 1876 . 1 1 6 ALA CB C -1.606 -1.623 -3.943 . . . 1.0 . . . . . . . . . . . . A . 6 ALA CB . . . . . . . . . rr_2dx4 1 . 7 . 1877 . 1 1 6 ALA H H -2.243 -1.975 -1.602 . . . 1.0 . . . . . . . . . . . . A . 6 ALA H . . . . . . . . . rr_2dx4 1 . 7 . 1878 . 1 1 6 ALA HA H -1.639 0.294 -2.979 . . . 1.0 . . . . . . . . . . . . A . 6 ALA HA . . . . . . . . . rr_2dx4 1 . 7 . 1879 . 1 1 6 ALA HB1 H -2.256 -1.947 -4.755 . . . 1.0 . . . . . . . . . . . . A . 6 ALA HB1 . . . . . . . . . rr_2dx4 1 . 7 . 1880 . 1 1 6 ALA HB2 H -0.685 -1.212 -4.357 . . . 1.0 . . . . . . . . . . . . A . 6 ALA HB2 . . . . . . . . . rr_2dx4 1 . 7 . 1881 . 1 1 6 ALA HB3 H -1.370 -2.474 -3.305 . . . 1.0 . . . . . . . . . . . . A . 6 ALA HB3 . . . . . . . . . rr_2dx4 1 . 7 . 1882 . 1 1 6 ALA N N -2.638 -1.079 -1.804 . . . 1.0 . . . . . . . . . . . . A . 6 ALA N . . . . . . . . . rr_2dx4 1 . 7 . 1883 . 1 1 6 ALA O O -4.410 -0.849 -4.256 . . . 1.0 . . . . . . . . . . . . A . 6 ALA O . . . . . . . . . rr_2dx4 1 . 7 . 1884 . 1 1 7 HIS C C -4.623 3.355 -4.715 . . . 1.0 . . . . . . . . . . . . A . 7 HIS C . . . . . . . . . rr_2dx4 1 . 7 . 1885 . 1 1 7 HIS CA C -4.910 1.880 -4.425 . . . 1.0 . . . . . . . . . . . . A . 7 HIS CA . . . . . . . . . rr_2dx4 1 . 7 . 1886 . 1 1 7 HIS CB C -6.146 1.678 -3.547 . . . 1.0 . . . . . . . . . . . . A . 7 HIS CB . . . . . . . . . rr_2dx4 1 . 7 . 1887 . 1 1 7 HIS CD2 C -6.460 3.895 -2.199 . . . 1.0 . . . . . . . . . . . . A . 7 HIS CD2 . . . . . . . . . rr_2dx4 1 . 7 . 1888 . 1 1 7 HIS CE1 C -8.335 4.555 -3.115 . . . 1.0 . . . . . . . . . . . . A . 7 HIS CE1 . . . . . . . . . rr_2dx4 1 . 7 . 1889 . 1 1 7 HIS CG C -6.819 2.964 -3.129 . . . 1.0 . . . . . . . . . . . . A . 7 HIS CG . . . . . . . . . rr_2dx4 1 . 7 . 1890 . 1 1 7 HIS H H -3.076 1.909 -3.437 . . . 1.0 . . . . . . . . . . . . A . 7 HIS H . . . . . . . . . rr_2dx4 1 . 7 . 1891 . 1 1 7 HIS HA H -5.082 1.360 -5.367 . . . 1.0 . . . . . . . . . . . . A . 7 HIS HA . . . . . . . . . rr_2dx4 1 . 7 . 1892 . 1 1 7 HIS HB2 H -6.866 1.063 -4.087 . . . 1.0 . . . . . . . . . . . . A . 7 HIS HB2 . . . . . . . . . rr_2dx4 1 . 7 . 1893 . 1 1 7 HIS HB3 H -5.859 1.123 -2.654 . . . 1.0 . . . . . . . . . . . . A . 7 HIS HB3 . . . . . . . . . rr_2dx4 1 . 7 . 1894 . 1 1 7 HIS HD1 H -8.523 2.940 -4.405 . . . 1.0 . . . . . . . . . . . . A . 7 HIS HD1 . . . . . . . . . rr_2dx4 1 . 7 . 1895 . 1 1 7 HIS HD2 H -5.572 3.857 -1.568 . . . 1.0 . . . . . . . . . . . . A . 7 HIS HD2 . . . . . . . . . rr_2dx4 1 . 7 . 1896 . 1 1 7 HIS HE1 H -9.217 5.153 -3.341 . . . 1.0 . . . . . . . . . . . . A . 7 HIS HE1 . . . . . . . . . rr_2dx4 1 . 7 . 1897 . 1 1 7 HIS HE2 H -7.395 5.637 -1.569 . . . 1.0 . . . . . . . . . . . . A . 7 HIS HE2 . . . . . . . . . rr_2dx4 1 . 7 . 1898 . 1 1 7 HIS N N -3.741 1.266 -3.818 . . . 1.0 . . . . . . . . . . . . A . 7 HIS N . . . . . . . . . rr_2dx4 1 . 7 . 1899 . 1 1 7 HIS ND1 N -8.004 3.407 -3.689 . . . 1.0 . . . . . . . . . . . . A . 7 HIS ND1 . . . . . . . . . rr_2dx4 1 . 7 . 1900 . 1 1 7 HIS NE2 N -7.376 4.856 -2.193 . . . 1.0 . . . . . . . . . . . . A . 7 HIS NE2 . . . . . . . . . rr_2dx4 1 . 7 . 1901 . 1 1 7 HIS O O -3.525 3.842 -4.448 . . . 1.0 . . . . . . . . . . . . A . 7 HIS O . . . . . . . . . rr_2dx4 1 . 7 . 1902 . 1 1 8 ALA C C -4.721 6.143 -4.477 . . . 1.0 . . . . . . . . . . . . A . 8 ALA C . . . . . . . . . rr_2dx4 1 . 7 . 1903 . 1 1 8 ALA CA C -5.498 5.433 -5.588 . . . 1.0 . . . . . . . . . . . . A . 8 ALA CA . . . . . . . . . rr_2dx4 1 . 7 . 1904 . 1 1 8 ALA CB C -6.887 6.038 -5.805 . . . 1.0 . . . . . . . . . . . . A . 8 ALA CB . . . . . . . . . rr_2dx4 1 . 7 . 1905 . 1 1 8 ALA H H -6.518 3.621 -5.473 . . . 1.0 . . . . . . . . . . . . A . 8 ALA H . . . . . . . . . rr_2dx4 1 . 7 . 1906 . 1 1 8 ALA HA H -4.935 5.506 -6.518 . . . 1.0 . . . . . . . . . . . . A . 8 ALA HA . . . . . . . . . rr_2dx4 1 . 7 . 1907 . 1 1 8 ALA HB1 H -7.204 5.861 -6.833 . . . 1.0 . . . . . . . . . . . . A . 8 ALA HB1 . . . . . . . . . rr_2dx4 1 . 7 . 1908 . 1 1 8 ALA HB2 H -7.597 5.572 -5.121 . . . 1.0 . . . . . . . . . . . . A . 8 ALA HB2 . . . . . . . . . rr_2dx4 1 . 7 . 1909 . 1 1 8 ALA HB3 H -6.850 7.110 -5.615 . . . 1.0 . . . . . . . . . . . . A . 8 ALA HB3 . . . . . . . . . rr_2dx4 1 . 7 . 1910 . 1 1 8 ALA N N -5.629 4.024 -5.258 . . . 1.0 . . . . . . . . . . . . A . 8 ALA N . . . . . . . . . rr_2dx4 1 . 7 . 1911 . 1 1 8 ALA O O -3.492 6.171 -4.496 . . . 1.0 . . . . . . . . . . . . A . 8 ALA O . . . . . . . . . rr_2dx4 1 . 7 . 1912 . 1 1 9 LYS C C -3.576 8.080 -2.886 . . . 1.0 . . . . . . . . . . . . A . 9 LYS C . . . . . . . . . rr_2dx4 1 . 7 . 1913 . 1 1 9 LYS CA C -4.867 7.405 -2.419 . . . 1.0 . . . . . . . . . . . . A . 9 LYS CA . . . . . . . . . rr_2dx4 1 . 7 . 1914 . 1 1 9 LYS CB C -4.673 6.462 -1.230 . . . 1.0 . . . . . . . . . . . . A . 9 LYS CB . . . . . . . . . rr_2dx4 1 . 7 . 1915 . 1 1 9 LYS CD C -5.771 8.051 0.391 . . . 1.0 . . . . . . . . . . . . A . 9 LYS CD . . . . . . . . . rr_2dx4 1 . 7 . 1916 . 1 1 9 LYS CE C -5.844 8.388 1.882 . . . 1.0 . . . . . . . . . . . . A . 9 LYS CE . . . . . . . . . rr_2dx4 1 . 7 . 1917 . 1 1 9 LYS CG C -4.508 7.249 0.072 . . . 1.0 . . . . . . . . . . . . A . 9 LYS CG . . . . . . . . . rr_2dx4 1 . 7 . 1918 . 1 1 9 LYS H H -6.470 6.670 -3.528 . . . 1.0 . . . . . . . . . . . . A . 9 LYS H . . . . . . . . . rr_2dx4 1 . 7 . 1919 . 1 1 9 LYS HA H -5.568 8.179 -2.106 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HA . . . . . . . . . rr_2dx4 1 . 7 . 1920 . 1 1 9 LYS HB2 H -5.528 5.792 -1.148 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HB2 . . . . . . . . . rr_2dx4 1 . 7 . 1921 . 1 1 9 LYS HB3 H -3.795 5.838 -1.396 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HB3 . . . . . . . . . rr_2dx4 1 . 7 . 1922 . 1 1 9 LYS HD2 H -5.779 8.971 -0.194 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HD2 . . . . . . . . . rr_2dx4 1 . 7 . 1923 . 1 1 9 LYS HD3 H -6.652 7.480 0.100 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HD3 . . . . . . . . . rr_2dx4 1 . 7 . 1924 . 1 1 9 LYS HE2 H -4.896 8.812 2.212 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HE2 . . . . . . . . . rr_2dx4 1 . 7 . 1925 . 1 1 9 LYS HE3 H -6.608 9.146 2.052 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HE3 . . . . . . . . . rr_2dx4 1 . 7 . 1926 . 1 1 9 LYS HG2 H -4.292 6.562 0.891 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HG2 . . . . . . . . . rr_2dx4 1 . 7 . 1927 . 1 1 9 LYS HG3 H -3.656 7.923 -0.011 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HG3 . . . . . . . . . rr_2dx4 1 . 7 . 1928 . 1 1 9 LYS HZ1 H -5.304 6.772 3.010 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HZ1 . . . . . . . . . rr_2dx4 1 . 7 . 1929 . 1 1 9 LYS HZ2 H -6.735 7.424 3.448 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HZ2 . . . . . . . . . rr_2dx4 1 . 7 . 1930 . 1 1 9 LYS HZ3 H -6.632 6.515 2.095 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HZ3 . . . . . . . . . rr_2dx4 1 . 7 . 1931 . 1 1 9 LYS N N -5.470 6.698 -3.536 . . . 1.0 . . . . . . . . . . . . A . 9 LYS N . . . . . . . . . rr_2dx4 1 . 7 . 1932 . 1 1 9 LYS NZ N -6.154 7.176 2.673 . . . 1.0 . . . . . . . . . . . . A . 9 LYS NZ . . . . . . . . . rr_2dx4 1 . 7 . 1933 . 1 1 9 LYS O O -2.529 7.926 -2.259 . . . 1.0 . . . . . . . . . . . . A . 9 LYS O . . . . . . . . . rr_2dx4 1 . 7 . 1934 . 1 1 10 ALA C C -1.554 8.491 -5.100 . . . 1.0 . . . . . . . . . . . . A . 10 ALA C . . . . . . . . . rr_2dx4 1 . 7 . 1935 . 1 1 10 ALA CA C -2.548 9.512 -4.542 . . . 1.0 . . . . . . . . . . . . A . 10 ALA CA . . . . . . . . . rr_2dx4 1 . 7 . 1936 . 1 1 10 ALA CB C -1.923 10.407 -3.470 . . . 1.0 . . . . . . . . . . . . A . 10 ALA CB . . . . . . . . . rr_2dx4 1 . 7 . 1937 . 1 1 10 ALA H H -4.548 8.933 -4.488 . . . 1.0 . . . . . . . . . . . . A . 10 ALA H . . . . . . . . . rr_2dx4 1 . 7 . 1938 . 1 1 10 ALA HA H -2.907 10.139 -5.358 . . . 1.0 . . . . . . . . . . . . A . 10 ALA HA . . . . . . . . . rr_2dx4 1 . 7 . 1939 . 1 1 10 ALA HB1 H -2.117 11.452 -3.711 . . . 1.0 . . . . . . . . . . . . A . 10 ALA HB1 . . . . . . . . . rr_2dx4 1 . 7 . 1940 . 1 1 10 ALA HB2 H -2.360 10.171 -2.500 . . . 1.0 . . . . . . . . . . . . A . 10 ALA HB2 . . . . . . . . . rr_2dx4 1 . 7 . 1941 . 1 1 10 ALA HB3 H -0.847 10.236 -3.435 . . . 1.0 . . . . . . . . . . . . A . 10 ALA HB3 . . . . . . . . . rr_2dx4 1 . 7 . 1942 . 1 1 10 ALA N N -3.693 8.813 -3.984 . . . 1.0 . . . . . . . . . . . . A . 10 ALA N . . . . . . . . . rr_2dx4 1 . 7 . 1943 . 1 1 10 ALA O O -0.376 8.508 -4.745 . . . 1.0 . . . . . . . . . . . . A . 10 ALA O . . . . . . . . . rr_2dx4 1 . 7 . 1944 . 1 1 11 GLY C C -0.442 5.835 -5.513 . . . 1.0 . . . . . . . . . . . . A . 11 GLY C . . . . . . . . . rr_2dx4 1 . 7 . 1945 . 1 1 11 GLY CA C -1.239 6.598 -6.573 . . . 1.0 . . . . . . . . . . . . A . 11 GLY CA . . . . . . . . . rr_2dx4 1 . 7 . 1946 . 1 1 11 GLY H H -3.025 7.618 -6.245 . . . 1.0 . . . . . . . . . . . . A . 11 GLY H . . . . . . . . . rr_2dx4 1 . 7 . 1947 . 1 1 11 GLY HA2 H -1.867 5.904 -7.131 . . . 1.0 . . . . . . . . . . . . A . 11 GLY HA2 . . . . . . . . . rr_2dx4 1 . 7 . 1948 . 1 1 11 GLY HA3 H -0.554 7.055 -7.288 . . . 1.0 . . . . . . . . . . . . A . 11 GLY HA3 . . . . . . . . . rr_2dx4 1 . 7 . 1949 . 1 1 11 GLY N N -2.066 7.625 -5.963 . . . 1.0 . . . . . . . . . . . . A . 11 GLY N . . . . . . . . . rr_2dx4 1 . 7 . 1950 . 1 1 11 GLY O O 0.734 5.535 -5.711 . . . 1.0 . . . . . . . . . . . . A . 11 GLY O . . . . . . . . . rr_2dx4 1 . 7 . 1951 . 1 1 12 TYR C C -0.199 3.369 -3.714 . . . 1.0 . . . . . . . . . . . . A . 12 TYR C . . . . . . . . . rr_2dx4 1 . 7 . 1952 . 1 1 12 TYR CA C -0.485 4.819 -3.318 . . . 1.0 . . . . . . . . . . . . A . 12 TYR CA . . . . . . . . . rr_2dx4 1 . 7 . 1953 . 1 1 12 TYR CB C -1.492 4.832 -2.167 . . . 1.0 . . . . . . . . . . . . A . 12 TYR CB . . . . . . . . . rr_2dx4 1 . 7 . 1954 . 1 1 12 TYR CD1 C 0.427 4.059 -0.725 . . . 1.0 . . . . . . . . . . . . A . 12 TYR CD1 . . . . . . . . . rr_2dx4 1 . 7 . 1955 . 1 1 12 TYR CD2 C -1.740 4.230 0.269 . . . 1.0 . . . . . . . . . . . . A . 12 TYR CD2 . . . . . . . . . rr_2dx4 1 . 7 . 1956 . 1 1 12 TYR CE1 C 0.969 3.613 0.532 . . . 1.0 . . . . . . . . . . . . A . 12 TYR CE1 . . . . . . . . . rr_2dx4 1 . 7 . 1957 . 1 1 12 TYR CE2 C -1.198 3.784 1.526 . . . 1.0 . . . . . . . . . . . . A . 12 TYR CE2 . . . . . . . . . rr_2dx4 1 . 7 . 1958 . 1 1 12 TYR CG C -0.916 4.358 -0.831 . . . 1.0 . . . . . . . . . . . . A . 12 TYR CG . . . . . . . . . rr_2dx4 1 . 7 . 1959 . 1 1 12 TYR CZ C 0.130 3.497 1.596 . . . 1.0 . . . . . . . . . . . . A . 12 TYR CZ . . . . . . . . . rr_2dx4 1 . 7 . 1960 . 1 1 12 TYR H H -2.072 5.789 -4.256 . . . 1.0 . . . . . . . . . . . . A . 12 TYR H . . . . . . . . . rr_2dx4 1 . 7 . 1961 . 1 1 12 TYR HA H 0.456 5.316 -3.084 . . . 1.0 . . . . . . . . . . . . A . 12 TYR HA . . . . . . . . . rr_2dx4 1 . 7 . 1962 . 1 1 12 TYR HB2 H -1.878 5.844 -2.046 . . . 1.0 . . . . . . . . . . . . A . 12 TYR HB2 . . . . . . . . . rr_2dx4 1 . 7 . 1963 . 1 1 12 TYR HB3 H -2.339 4.198 -2.431 . . . 1.0 . . . . . . . . . . . . A . 12 TYR HB3 . . . . . . . . . rr_2dx4 1 . 7 . 1964 . 1 1 12 TYR HD1 H 1.077 4.160 -1.594 . . . 1.0 . . . . . . . . . . . . A . 12 TYR HD1 . . . . . . . . . rr_2dx4 1 . 7 . 1965 . 1 1 12 TYR HD2 H -2.801 4.466 0.186 . . . 1.0 . . . . . . . . . . . . A . 12 TYR HD2 . . . . . . . . . rr_2dx4 1 . 7 . 1966 . 1 1 12 TYR HE1 H 2.028 3.373 0.629 . . . 1.0 . . . . . . . . . . . . A . 12 TYR HE1 . . . . . . . . . rr_2dx4 1 . 7 . 1967 . 1 1 12 TYR HE2 H -1.838 3.678 2.403 . . . 1.0 . . . . . . . . . . . . A . 12 TYR HE2 . . . . . . . . . rr_2dx4 1 . 7 . 1968 . 1 1 12 TYR HH H 1.155 2.228 2.653 . . . 1.0 . . . . . . . . . . . . A . 12 TYR HH . . . . . . . . . rr_2dx4 1 . 7 . 1969 . 1 1 12 TYR N N -1.115 5.542 -4.410 . . . 1.0 . . . . . . . . . . . . A . 12 TYR N . . . . . . . . . rr_2dx4 1 . 7 . 1970 . 1 1 12 TYR O O 0.473 2.643 -2.983 . . . 1.0 . . . . . . . . . . . . A . 12 TYR O . . . . . . . . . rr_2dx4 1 . 7 . 1971 . 1 1 12 TYR OH O 0.641 3.076 2.783 . . . 1.0 . . . . . . . . . . . . A . 12 TYR OH . . . . . . . . . rr_2dx4 1 . 7 . 1972 . 1 1 13 ILE C C 0.915 1.209 -5.128 . . . 1.0 . . . . . . . . . . . . A . 13 ILE C . . . . . . . . . rr_2dx4 1 . 7 . 1973 . 1 1 13 ILE CA C -0.533 1.640 -5.371 . . . 1.0 . . . . . . . . . . . . A . 13 ILE CA . . . . . . . . . rr_2dx4 1 . 7 . 1974 . 1 1 13 ILE CB C -0.964 1.547 -6.836 . . . 1.0 . . . . . . . . . . . . A . 13 ILE CB . . . . . . . . . rr_2dx4 1 . 7 . 1975 . 1 1 13 ILE CD1 C -0.570 -0.944 -6.798 . . . 1.0 . . . . . . . . . . . . A . 13 ILE CD1 . . . . . . . . . rr_2dx4 1 . 7 . 1976 . 1 1 13 ILE CG1 C -0.285 0.366 -7.534 . . . 1.0 . . . . . . . . . . . . A . 13 ILE CG1 . . . . . . . . . rr_2dx4 1 . 7 . 1977 . 1 1 13 ILE CG2 C -0.712 2.867 -7.567 . . . 1.0 . . . . . . . . . . . . A . 13 ILE CG2 . . . . . . . . . rr_2dx4 1 . 7 . 1978 . 1 1 13 ILE H H -1.269 3.587 -5.459 . . . 1.0 . . . . . . . . . . . . A . 13 ILE H . . . . . . . . . rr_2dx4 1 . 7 . 1979 . 1 1 13 ILE HA H -1.189 0.983 -4.800 . . . 1.0 . . . . . . . . . . . . A . 13 ILE HA . . . . . . . . . rr_2dx4 1 . 7 . 1980 . 1 1 13 ILE HB H -2.038 1.363 -6.865 . . . 1.0 . . . . . . . . . . . . A . 13 ILE HB . . . . . . . . . rr_2dx4 1 . 7 . 1981 . 1 1 13 ILE HD11 H -1.493 -0.846 -6.226 . . . 1.0 . . . . . . . . . . . . A . 13 ILE HD11 . . . . . . . . . rr_2dx4 1 . 7 . 1982 . 1 1 13 ILE HD12 H -0.675 -1.752 -7.522 . . . 1.0 . . . . . . . . . . . . A . 13 ILE HD12 . . . . . . . . . rr_2dx4 1 . 7 . 1983 . 1 1 13 ILE HD13 H 0.254 -1.168 -6.121 . . . 1.0 . . . . . . . . . . . . A . 13 ILE HD13 . . . . . . . . . rr_2dx4 1 . 7 . 1984 . 1 1 13 ILE HG12 H -0.638 0.295 -8.562 . . . 1.0 . . . . . . . . . . . . A . 13 ILE HG12 . . . . . . . . . rr_2dx4 1 . 7 . 1985 . 1 1 13 ILE HG13 H 0.791 0.536 -7.578 . . . 1.0 . . . . . . . . . . . . A . 13 ILE HG13 . . . . . . . . . rr_2dx4 1 . 7 . 1986 . 1 1 13 ILE HG21 H 0.031 3.448 -7.021 . . . 1.0 . . . . . . . . . . . . A . 13 ILE HG21 . . . . . . . . . rr_2dx4 1 . 7 . 1987 . 1 1 13 ILE HG22 H -0.344 2.661 -8.573 . . . 1.0 . . . . . . . . . . . . A . 13 ILE HG22 . . . . . . . . . rr_2dx4 1 . 7 . 1988 . 1 1 13 ILE HG23 H -1.642 3.431 -7.629 . . . 1.0 . . . . . . . . . . . . A . 13 ILE HG23 . . . . . . . . . rr_2dx4 1 . 7 . 1989 . 1 1 13 ILE N N -0.723 2.990 -4.870 . . . 1.0 . . . . . . . . . . . . A . 13 ILE N . . . . . . . . . rr_2dx4 1 . 7 . 1990 . 1 1 13 ILE O O 1.809 1.565 -5.894 . . . 1.0 . . . . . . . . . . . . A . 13 ILE O . . . . . . . . . rr_2dx4 1 . 7 . 1991 . 1 1 14 VAL C C 2.386 -1.554 -3.555 . . . 1.0 . . . . . . . . . . . . A . 14 VAL C . . . . . . . . . rr_2dx4 1 . 7 . 1992 . 1 1 14 VAL CA C 2.425 -0.032 -3.704 . . . 1.0 . . . . . . . . . . . . A . 14 VAL CA . . . . . . . . . rr_2dx4 1 . 7 . 1993 . 1 1 14 VAL CB C 2.922 0.680 -2.444 . . . 1.0 . . . . . . . . . . . . A . 14 VAL CB . . . . . . . . . rr_2dx4 1 . 7 . 1994 . 1 1 14 VAL CG1 C 2.502 -0.080 -1.184 . . . 1.0 . . . . . . . . . . . . A . 14 VAL CG1 . . . . . . . . . rr_2dx4 1 . 7 . 1995 . 1 1 14 VAL CG2 C 4.438 0.876 -2.486 . . . 1.0 . . . . . . . . . . . . A . 14 VAL CG2 . . . . . . . . . rr_2dx4 1 . 7 . 1996 . 1 1 14 VAL H H 0.368 0.166 -3.440 . . . 1.0 . . . . . . . . . . . . A . 14 VAL H . . . . . . . . . rr_2dx4 1 . 7 . 1997 . 1 1 14 VAL HA H 3.098 0.223 -4.523 . . . 1.0 . . . . . . . . . . . . A . 14 VAL HA . . . . . . . . . rr_2dx4 1 . 7 . 1998 . 1 1 14 VAL HB H 2.458 1.665 -2.410 . . . 1.0 . . . . . . . . . . . . A . 14 VAL HB . . . . . . . . . rr_2dx4 1 . 7 . 1999 . 1 1 14 VAL HG11 H 2.203 0.631 -0.413 . . . 1.0 . . . . . . . . . . . . A . 14 VAL HG11 . . . . . . . . . rr_2dx4 1 . 7 . 2000 . 1 1 14 VAL HG12 H 1.664 -0.736 -1.417 . . . 1.0 . . . . . . . . . . . . A . 14 VAL HG12 . . . . . . . . . rr_2dx4 1 . 7 . 2001 . 1 1 14 VAL HG13 H 3.340 -0.676 -0.823 . . . 1.0 . . . . . . . . . . . . A . 14 VAL HG13 . . . . . . . . . rr_2dx4 1 . 7 . 2002 . 1 1 14 VAL HG21 H 4.682 1.895 -2.187 . . . 1.0 . . . . . . . . . . . . A . 14 VAL HG21 . . . . . . . . . rr_2dx4 1 . 7 . 2003 . 1 1 14 VAL HG22 H 4.915 0.173 -1.803 . . . 1.0 . . . . . . . . . . . . A . 14 VAL HG22 . . . . . . . . . rr_2dx4 1 . 7 . 2004 . 1 1 14 VAL HG23 H 4.800 0.699 -3.499 . . . 1.0 . . . . . . . . . . . . A . 14 VAL HG23 . . . . . . . . . rr_2dx4 1 . 7 . 2005 . 1 1 14 VAL N N 1.101 0.451 -4.058 . . . 1.0 . . . . . . . . . . . . A . 14 VAL N . . . . . . . . . rr_2dx4 1 . 7 . 2006 . 1 1 14 VAL O O 1.475 -2.208 -4.062 . . . 1.0 . . . . . . . . . . . . A . 14 VAL O . . . . . . . . . rr_2dx4 1 . 7 . 2007 . 1 1 15 HIS C C 4.468 -3.790 -1.505 . . . 1.0 . . . . . . . . . . . . A . 15 HIS C . . . . . . . . . rr_2dx4 1 . 7 . 2008 . 1 1 15 HIS CA C 3.475 -3.507 -2.634 . . . 1.0 . . . . . . . . . . . . A . 15 HIS CA . . . . . . . . . rr_2dx4 1 . 7 . 2009 . 1 1 15 HIS CB C 3.829 -4.237 -3.931 . . . 1.0 . . . . . . . . . . . . A . 15 HIS CB . . . . . . . . . rr_2dx4 1 . 7 . 2010 . 1 1 15 HIS CD2 C 4.179 -2.321 -5.674 . . . 1.0 . . . . . . . . . . . . A . 15 HIS CD2 . . . . . . . . . rr_2dx4 1 . 7 . 2011 . 1 1 15 HIS CE1 C 2.576 -2.864 -7.061 . . . 1.0 . . . . . . . . . . . . A . 15 HIS CE1 . . . . . . . . . rr_2dx4 1 . 7 . 2012 . 1 1 15 HIS CG C 3.562 -3.433 -5.181 . . . 1.0 . . . . . . . . . . . . A . 15 HIS CG . . . . . . . . . rr_2dx4 1 . 7 . 2013 . 1 1 15 HIS H H 4.121 -1.536 -2.447 . . . 1.0 . . . . . . . . . . . . A . 15 HIS H . . . . . . . . . rr_2dx4 1 . 7 . 2014 . 1 1 15 HIS HA H 2.483 -3.840 -2.326 . . . 1.0 . . . . . . . . . . . . A . 15 HIS HA . . . . . . . . . rr_2dx4 1 . 7 . 2015 . 1 1 15 HIS HB2 H 4.884 -4.510 -3.906 . . . 1.0 . . . . . . . . . . . . A . 15 HIS HB2 . . . . . . . . . rr_2dx4 1 . 7 . 2016 . 1 1 15 HIS HB3 H 3.261 -5.166 -3.981 . . . 1.0 . . . . . . . . . . . . A . 15 HIS HB3 . . . . . . . . . rr_2dx4 1 . 7 . 2017 . 1 1 15 HIS HD1 H 1.921 -4.519 -5.994 . . . 1.0 . . . . . . . . . . . . A . 15 HIS HD1 . . . . . . . . . rr_2dx4 1 . 7 . 2018 . 1 1 15 HIS HD2 H 5.020 -1.802 -5.213 . . . 1.0 . . . . . . . . . . . . A . 15 HIS HD2 . . . . . . . . . rr_2dx4 1 . 7 . 2019 . 1 1 15 HIS HE1 H 1.906 -2.845 -7.920 . . . 1.0 . . . . . . . . . . . . A . 15 HIS HE1 . . . . . . . . . rr_2dx4 1 . 7 . 2020 . 1 1 15 HIS HE2 H 3.795 -1.169 -7.357 . . . 1.0 . . . . . . . . . . . . A . 15 HIS HE2 . . . . . . . . . rr_2dx4 1 . 7 . 2021 . 1 1 15 HIS N N 3.384 -2.074 -2.856 . . . 1.0 . . . . . . . . . . . . A . 15 HIS N . . . . . . . . . rr_2dx4 1 . 7 . 2022 . 1 1 15 HIS ND1 N 2.556 -3.751 -6.076 . . . 1.0 . . . . . . . . . . . . A . 15 HIS ND1 . . . . . . . . . rr_2dx4 1 . 7 . 2023 . 1 1 15 HIS NE2 N 3.583 -1.979 -6.810 . . . 1.0 . . . . . . . . . . . . A . 15 HIS NE2 . . . . . . . . . rr_2dx4 1 . 7 . 2024 . 1 1 15 HIS O O 5.483 -4.452 -1.716 . . . 1.0 . . . . . . . . . . . . A . 15 HIS O . . . . . . . . . rr_2dx4 1 . 7 . 2025 . 1 1 16 TRP C C 4.821 -4.904 1.315 . . . 1.0 . . . . . . . . . . . . A . 16 TRP C . . . . . . . . . rr_2dx4 1 . 7 . 2026 . 1 1 16 TRP CA C 4.991 -3.462 0.834 . . . 1.0 . . . . . . . . . . . . A . 16 TRP CA . . . . . . . . . rr_2dx4 1 . 7 . 2027 . 1 1 16 TRP CB C 4.674 -2.429 1.917 . . . 1.0 . . . . . . . . . . . . A . 16 TRP CB . . . . . . . . . rr_2dx4 1 . 7 . 2028 . 1 1 16 TRP CD1 C 3.671 -0.080 1.544 . . . 1.0 . . . . . . . . . . . . A . 16 TRP CD1 . . . . . . . . . rr_2dx4 1 . 7 . 2029 . 1 1 16 TRP CD2 C 5.701 -0.311 0.688 . . . 1.0 . . . . . . . . . . . . A . 16 TRP CD2 . . . . . . . . . rr_2dx4 1 . 7 . 2030 . 1 1 16 TRP CE2 C 5.285 0.978 0.421 . . . 1.0 . . . . . . . . . . . . A . 16 TRP CE2 . . . . . . . . . rr_2dx4 1 . 7 . 2031 . 1 1 16 TRP CE3 C 6.962 -0.774 0.271 . . . 1.0 . . . . . . . . . . . . A . 16 TRP CE3 . . . . . . . . . rr_2dx4 1 . 7 . 2032 . 1 1 16 TRP CG C 4.651 -0.985 1.413 . . . 1.0 . . . . . . . . . . . . A . 16 TRP CG . . . . . . . . . rr_2dx4 1 . 7 . 2033 . 1 1 16 TRP CH2 C 7.327 1.469 -0.697 . . . 1.0 . . . . . . . . . . . . A . 16 TRP CH2 . . . . . . . . . rr_2dx4 1 . 7 . 2034 . 1 1 16 TRP CZ2 C 6.068 1.909 -0.272 . . . 1.0 . . . . . . . . . . . . A . 16 TRP CZ2 . . . . . . . . . rr_2dx4 1 . 7 . 2035 . 1 1 16 TRP CZ3 C 7.732 0.169 -0.420 . . . 1.0 . . . . . . . . . . . . A . 16 TRP CZ3 . . . . . . . . . rr_2dx4 1 . 7 . 2036 . 1 1 16 TRP H H 3.313 -2.736 -0.165 . . . 1.0 . . . . . . . . . . . . A . 16 TRP H . . . . . . . . . rr_2dx4 1 . 7 . 2037 . 1 1 16 TRP HA H 6.022 -3.291 0.524 . . . 1.0 . . . . . . . . . . . . A . 16 TRP HA . . . . . . . . . rr_2dx4 1 . 7 . 2038 . 1 1 16 TRP HB2 H 3.705 -2.665 2.357 . . . 1.0 . . . . . . . . . . . . A . 16 TRP HB2 . . . . . . . . . rr_2dx4 1 . 7 . 2039 . 1 1 16 TRP HB3 H 5.414 -2.514 2.713 . . . 1.0 . . . . . . . . . . . . A . 16 TRP HB3 . . . . . . . . . rr_2dx4 1 . 7 . 2040 . 1 1 16 TRP HD1 H 2.724 -0.271 2.049 . . . 1.0 . . . . . . . . . . . . A . 16 TRP HD1 . . . . . . . . . rr_2dx4 1 . 7 . 2041 . 1 1 16 TRP HE1 H 3.393 2.020 0.923 . . . 1.0 . . . . . . . . . . . . A . 16 TRP HE1 . . . . . . . . . rr_2dx4 1 . 7 . 2042 . 1 1 16 TRP HE3 H 7.314 -1.786 0.469 . . . 1.0 . . . . . . . . . . . . A . 16 TRP HE3 . . . . . . . . . rr_2dx4 1 . 7 . 2043 . 1 1 16 TRP HH2 H 7.987 2.144 -1.242 . . . 1.0 . . . . . . . . . . . . A . 16 TRP HH2 . . . . . . . . . rr_2dx4 1 . 7 . 2044 . 1 1 16 TRP HZ2 H 5.715 2.921 -0.470 . . . 1.0 . . . . . . . . . . . . A . 16 TRP HZ2 . . . . . . . . . rr_2dx4 1 . 7 . 2045 . 1 1 16 TRP HZ3 H 8.719 -0.139 -0.766 . . . 1.0 . . . . . . . . . . . . A . 16 TRP HZ3 . . . . . . . . . rr_2dx4 1 . 7 . 2046 . 1 1 16 TRP N N 4.140 -3.273 -0.329 . . . 1.0 . . . . . . . . . . . . A . 16 TRP N . . . . . . . . . rr_2dx4 1 . 7 . 2047 . 1 1 16 TRP NE1 N 4.011 1.122 0.958 . . . 1.0 . . . . . . . . . . . . A . 16 TRP NE1 . . . . . . . . . rr_2dx4 1 . 7 . 2048 . 1 1 16 TRP O O 4.364 -5.763 0.563 . . . 1.0 . . . . . . . . . . . . A . 16 TRP O . . . . . . . . . rr_2dx4 1 . 7 . 2049 . 1 1 17 THR C C 5.063 -6.351 4.682 . . . 1.0 . . . . . . . . . . . . A . 17 THR C . . . . . . . . . rr_2dx4 1 . 7 . 2050 . 1 1 17 THR CA C 5.095 -6.449 3.156 . . . 1.0 . . . . . . . . . . . . A . 17 THR CA . . . . . . . . . rr_2dx4 1 . 7 . 2051 . 1 1 17 THR CB C 6.253 -7.296 2.625 . . . 1.0 . . . . . . . . . . . . A . 17 THR CB . . . . . . . . . rr_2dx4 1 . 7 . 2052 . 1 1 17 THR CG2 C 6.127 -7.590 1.129 . . . 1.0 . . . . . . . . . . . . A . 17 THR CG2 . . . . . . . . . rr_2dx4 1 . 7 . 2053 . 1 1 17 THR H H 5.570 -4.421 3.170 . . . 1.0 . . . . . . . . . . . . A . 17 THR H . . . . . . . . . rr_2dx4 1 . 7 . 2054 . 1 1 17 THR HA H 4.149 -6.891 2.844 . . . 1.0 . . . . . . . . . . . . A . 17 THR HA . . . . . . . . . rr_2dx4 1 . 7 . 2055 . 1 1 17 THR HB H 6.354 -8.219 3.196 . . . 1.0 . . . . . . . . . . . . A . 17 THR HB . . . . . . . . . rr_2dx4 1 . 7 . 2056 . 1 1 17 THR HG1 H 7.501 -6.120 3.657 . . . 1.0 . . . . . . . . . . . . A . 17 THR HG1 . . . . . . . . . rr_2dx4 1 . 7 . 2057 . 1 1 17 THR HG21 H 5.108 -7.906 0.906 . . . 1.0 . . . . . . . . . . . . A . 17 THR HG21 . . . . . . . . . rr_2dx4 1 . 7 . 2058 . 1 1 17 THR HG22 H 6.361 -6.690 0.561 . . . 1.0 . . . . . . . . . . . . A . 17 THR HG22 . . . . . . . . . rr_2dx4 1 . 7 . 2059 . 1 1 17 THR HG23 H 6.822 -8.383 0.855 . . . 1.0 . . . . . . . . . . . . A . 17 THR HG23 . . . . . . . . . rr_2dx4 1 . 7 . 2060 . 1 1 17 THR N N 5.199 -5.125 2.565 . . . 1.0 . . . . . . . . . . . . A . 17 THR N . . . . . . . . . rr_2dx4 1 . 7 . 2061 . 1 1 17 THR O O 5.189 -5.263 5.241 . . . 1.0 . . . . . . . . . . . . A . 17 THR O . . . . . . . . . rr_2dx4 1 . 7 . 2062 . 1 1 17 THR OG1 O 7.384 -6.433 2.715 . . . 1.0 . . . . . . . . . . . . A . 17 THR OG1 . . . . . . . . . rr_2dx4 1 . 7 . 2063 . 1 1 18 ALA C C 6.054 -6.826 7.342 . . . 1.0 . . . . . . . . . . . . A . 18 ALA C . . . . . . . . . rr_2dx4 1 . 7 . 2064 . 1 1 18 ALA CA C 4.843 -7.561 6.765 . . . 1.0 . . . . . . . . . . . . A . 18 ALA CA . . . . . . . . . rr_2dx4 1 . 7 . 2065 . 1 1 18 ALA CB C 4.778 -9.022 7.215 . . . 1.0 . . . . . . . . . . . . A . 18 ALA CB . . . . . . . . . rr_2dx4 1 . 7 . 2066 . 1 1 18 ALA H H 4.791 -8.384 4.852 . . . 1.0 . . . . . . . . . . . . A . 18 ALA H . . . . . . . . . rr_2dx4 1 . 7 . 2067 . 1 1 18 ALA HA H 3.933 -7.054 7.086 . . . 1.0 . . . . . . . . . . . . A . 18 ALA HA . . . . . . . . . rr_2dx4 1 . 7 . 2068 . 1 1 18 ALA HB1 H 3.755 -9.270 7.500 . . . 1.0 . . . . . . . . . . . . A . 18 ALA HB1 . . . . . . . . . rr_2dx4 1 . 7 . 2069 . 1 1 18 ALA HB2 H 5.095 -9.669 6.397 . . . 1.0 . . . . . . . . . . . . A . 18 ALA HB2 . . . . . . . . . rr_2dx4 1 . 7 . 2070 . 1 1 18 ALA HB3 H 5.438 -9.168 8.070 . . . 1.0 . . . . . . . . . . . . A . 18 ALA HB3 . . . . . . . . . rr_2dx4 1 . 7 . 2071 . 1 1 18 ALA N N 4.893 -7.503 5.314 . . . 1.0 . . . . . . . . . . . . A . 18 ALA N . . . . . . . . . rr_2dx4 1 . 7 . 2072 . 1 1 18 ALA O O 6.022 -5.608 7.511 . . . 1.0 . . . . . . . . . . . . A . 18 ALA O . . . . . . . . . rr_2dx4 1 . 8 . 2073 . 1 1 1 ILE C C 3.010 -6.738 6.854 . . . 1.0 . . . . . . . . . . . . A . 1 ILE C . . . . . . . . . rr_2dx4 1 . 8 . 2074 . 1 1 1 ILE CA C 3.803 -6.720 8.162 . . . 1.0 . . . . . . . . . . . . A . 1 ILE CA . . . . . . . . . rr_2dx4 1 . 8 . 2075 . 1 1 1 ILE CB C 4.055 -5.313 8.708 . . . 1.0 . . . . . . . . . . . . A . 1 ILE CB . . . . . . . . . rr_2dx4 1 . 8 . 2076 . 1 1 1 ILE CD1 C 3.225 -4.176 10.800 . . . 1.0 . . . . . . . . . . . . A . 1 ILE CD1 . . . . . . . . . rr_2dx4 1 . 8 . 2077 . 1 1 1 ILE CG1 C 2.828 -4.787 9.455 . . . 1.0 . . . . . . . . . . . . A . 1 ILE CG1 . . . . . . . . . rr_2dx4 1 . 8 . 2078 . 1 1 1 ILE CG2 C 4.499 -4.363 7.593 . . . 1.0 . . . . . . . . . . . . A . 1 ILE CG2 . . . . . . . . . rr_2dx4 1 . 8 . 2079 . 1 1 1 ILE H1 H 5.607 -7.543 8.799 . . . 1.0 . . . . . . . . . . . . A . 1 ILE H1 . . . . . . . . . rr_2dx4 1 . 8 . 2080 . 1 1 1 ILE HA H 3.236 -7.262 8.918 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HA . . . . . . . . . rr_2dx4 1 . 8 . 2081 . 1 1 1 ILE HB H 4.872 -5.367 9.428 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HB . . . . . . . . . rr_2dx4 1 . 8 . 2082 . 1 1 1 ILE HD11 H 4.308 -4.056 10.839 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HD11 . . . . . . . . . rr_2dx4 1 . 8 . 2083 . 1 1 1 ILE HD12 H 2.747 -3.203 10.913 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HD12 . . . . . . . . . rr_2dx4 1 . 8 . 2084 . 1 1 1 ILE HD13 H 2.904 -4.835 11.607 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HD13 . . . . . . . . . rr_2dx4 1 . 8 . 2085 . 1 1 1 ILE HG12 H 2.322 -4.037 8.847 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HG12 . . . . . . . . . rr_2dx4 1 . 8 . 2086 . 1 1 1 ILE HG13 H 2.120 -5.599 9.615 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HG13 . . . . . . . . . rr_2dx4 1 . 8 . 2087 . 1 1 1 ILE HG21 H 3.819 -4.454 6.747 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HG21 . . . . . . . . . rr_2dx4 1 . 8 . 2088 . 1 1 1 ILE HG22 H 4.485 -3.338 7.962 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HG22 . . . . . . . . . rr_2dx4 1 . 8 . 2089 . 1 1 1 ILE HG23 H 5.510 -4.621 7.277 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HG23 . . . . . . . . . rr_2dx4 1 . 8 . 2090 . 1 1 1 ILE N N 5.060 -7.424 7.971 . . . 1.0 . . . . . . . . . . . . A . 1 ILE N . . . . . . . . . rr_2dx4 1 . 8 . 2091 . 1 1 1 ILE O O 3.453 -7.316 5.863 . . . 1.0 . . . . . . . . . . . . A . 1 ILE O . . . . . . . . . rr_2dx4 1 . 8 . 2092 . 1 1 2 ASN C C 0.392 -4.631 5.612 . . . 1.0 . . . . . . . . . . . . A . 2 ASN C . . . . . . . . . rr_2dx4 1 . 8 . 2093 . 1 1 2 ASN CA C 0.991 -6.035 5.723 . . . 1.0 . . . . . . . . . . . . A . 2 ASN CA . . . . . . . . . rr_2dx4 1 . 8 . 2094 . 1 1 2 ASN CB C -0.163 -7.034 5.832 . . . 1.0 . . . . . . . . . . . . A . 2 ASN CB . . . . . . . . . rr_2dx4 1 . 8 . 2095 . 1 1 2 ASN CG C -1.147 -6.863 4.673 . . . 1.0 . . . . . . . . . . . . A . 2 ASN CG . . . . . . . . . rr_2dx4 1 . 8 . 2096 . 1 1 2 ASN H H 1.497 -5.631 7.703 . . . 1.0 . . . . . . . . . . . . A . 2 ASN H . . . . . . . . . rr_2dx4 1 . 8 . 2097 . 1 1 2 ASN HA H 1.636 -6.281 4.880 . . . 1.0 . . . . . . . . . . . . A . 2 ASN HA . . . . . . . . . rr_2dx4 1 . 8 . 2098 . 1 1 2 ASN HB2 H 0.230 -8.050 5.833 . . . 1.0 . . . . . . . . . . . . A . 2 ASN HB2 . . . . . . . . . rr_2dx4 1 . 8 . 2099 . 1 1 2 ASN HB3 H -0.683 -6.892 6.779 . . . 1.0 . . . . . . . . . . . . A . 2 ASN HB3 . . . . . . . . . rr_2dx4 1 . 8 . 2100 . 1 1 2 ASN HD21 H 0.355 -7.316 3.393 . . . 1.0 . . . . . . . . . . . . A . 2 ASN HD21 . . . . . . . . . rr_2dx4 1 . 8 . 2101 . 1 1 2 ASN HD22 H -1.175 -6.984 2.652 . . . 1.0 . . . . . . . . . . . . A . 2 ASN HD22 . . . . . . . . . rr_2dx4 1 . 8 . 2102 . 1 1 2 ASN N N 1.850 -6.099 6.893 . . . 1.0 . . . . . . . . . . . . A . 2 ASN N . . . . . . . . . rr_2dx4 1 . 8 . 2103 . 1 1 2 ASN ND2 N -0.611 -7.072 3.473 . . . 1.0 . . . . . . . . . . . . A . 2 ASN ND2 . . . . . . . . . rr_2dx4 1 . 8 . 2104 . 1 1 2 ASN O O -0.480 -4.260 6.397 . . . 1.0 . . . . . . . . . . . . A . 2 ASN O . . . . . . . . . rr_2dx4 1 . 8 . 2105 . 1 1 2 ASN OD1 O -2.315 -6.563 4.855 . . . 1.0 . . . . . . . . . . . . A . 2 ASN OD1 . . . . . . . . . rr_2dx4 1 . 8 . 2106 . 1 1 3 TYR C C 0.167 -2.277 2.918 . . . 1.0 . . . . . . . . . . . . A . 3 TYR C . . . . . . . . . rr_2dx4 1 . 8 . 2107 . 1 1 3 TYR CA C 0.407 -2.534 4.407 . . . 1.0 . . . . . . . . . . . . A . 3 TYR CA . . . . . . . . . rr_2dx4 1 . 8 . 2108 . 1 1 3 TYR CB C 1.522 -1.609 4.899 . . . 1.0 . . . . . . . . . . . . A . 3 TYR CB . . . . . . . . . rr_2dx4 1 . 8 . 2109 . 1 1 3 TYR CD1 C 0.468 -1.379 7.178 . . . 1.0 . . . . . . . . . . . . A . 3 TYR CD1 . . . . . . . . . rr_2dx4 1 . 8 . 2110 . 1 1 3 TYR CD2 C 2.849 -1.534 7.041 . . . 1.0 . . . . . . . . . . . . A . 3 TYR CD2 . . . . . . . . . rr_2dx4 1 . 8 . 2111 . 1 1 3 TYR CE1 C 0.556 -1.280 8.611 . . . 1.0 . . . . . . . . . . . . A . 3 TYR CE1 . . . . . . . . . rr_2dx4 1 . 8 . 2112 . 1 1 3 TYR CE2 C 2.938 -1.435 8.475 . . . 1.0 . . . . . . . . . . . . A . 3 TYR CE2 . . . . . . . . . rr_2dx4 1 . 8 . 2113 . 1 1 3 TYR CG C 1.616 -1.504 6.422 . . . 1.0 . . . . . . . . . . . . A . 3 TYR CG . . . . . . . . . rr_2dx4 1 . 8 . 2114 . 1 1 3 TYR CZ C 1.787 -1.313 9.189 . . . 1.0 . . . . . . . . . . . . A . 3 TYR CZ . . . . . . . . . rr_2dx4 1 . 8 . 2115 . 1 1 3 TYR H H 1.592 -4.198 3.997 . . . 1.0 . . . . . . . . . . . . A . 3 TYR H . . . . . . . . . rr_2dx4 1 . 8 . 2116 . 1 1 3 TYR HA H -0.533 -2.415 4.945 . . . 1.0 . . . . . . . . . . . . A . 3 TYR HA . . . . . . . . . rr_2dx4 1 . 8 . 2117 . 1 1 3 TYR HB2 H 2.475 -1.967 4.510 . . . 1.0 . . . . . . . . . . . . A . 3 TYR HB2 . . . . . . . . . rr_2dx4 1 . 8 . 2118 . 1 1 3 TYR HB3 H 1.362 -0.613 4.485 . . . 1.0 . . . . . . . . . . . . A . 3 TYR HB3 . . . . . . . . . rr_2dx4 1 . 8 . 2119 . 1 1 3 TYR HD1 H -0.506 -1.356 6.689 . . . 1.0 . . . . . . . . . . . . A . 3 TYR HD1 . . . . . . . . . rr_2dx4 1 . 8 . 2120 . 1 1 3 TYR HD2 H 3.756 -1.633 6.444 . . . 1.0 . . . . . . . . . . . . A . 3 TYR HD2 . . . . . . . . . rr_2dx4 1 . 8 . 2121 . 1 1 3 TYR HE1 H -0.343 -1.181 9.220 . . . 1.0 . . . . . . . . . . . . A . 3 TYR HE1 . . . . . . . . . rr_2dx4 1 . 8 . 2122 . 1 1 3 TYR HE2 H 3.905 -1.457 8.976 . . . 1.0 . . . . . . . . . . . . A . 3 TYR HE2 . . . . . . . . . rr_2dx4 1 . 8 . 2123 . 1 1 3 TYR HH H 0.954 -1.207 10.943 . . . 1.0 . . . . . . . . . . . . A . 3 TYR HH . . . . . . . . . rr_2dx4 1 . 8 . 2124 . 1 1 3 TYR N N 0.883 -3.889 4.631 . . . 1.0 . . . . . . . . . . . . A . 3 TYR N . . . . . . . . . rr_2dx4 1 . 8 . 2125 . 1 1 3 TYR O O 0.518 -1.216 2.403 . . . 1.0 . . . . . . . . . . . . A . 3 TYR O . . . . . . . . . rr_2dx4 1 . 8 . 2126 . 1 1 3 TYR OH O 1.871 -1.220 10.544 . . . 1.0 . . . . . . . . . . . . A . 3 TYR OH . . . . . . . . . rr_2dx4 1 . 8 . 2127 . 1 1 4 TRP C C -1.320 -1.776 0.590 . . . 1.0 . . . . . . . . . . . . A . 4 TRP C . . . . . . . . . rr_2dx4 1 . 8 . 2128 . 1 1 4 TRP CA C -0.720 -3.159 0.848 . . . 1.0 . . . . . . . . . . . . A . 4 TRP CA . . . . . . . . . rr_2dx4 1 . 8 . 2129 . 1 1 4 TRP CB C -1.629 -4.300 0.387 . . . 1.0 . . . . . . . . . . . . A . 4 TRP CB . . . . . . . . . rr_2dx4 1 . 8 . 2130 . 1 1 4 TRP CD1 C -0.052 -4.818 -1.589 . . . 1.0 . . . . . . . . . . . . A . 4 TRP CD1 . . . . . . . . . rr_2dx4 1 . 8 . 2131 . 1 1 4 TRP CD2 C -1.464 -6.465 -1.142 . . . 1.0 . . . . . . . . . . . . A . 4 TRP CD2 . . . . . . . . . rr_2dx4 1 . 8 . 2132 . 1 1 4 TRP CE2 C -0.686 -6.866 -2.209 . . . 1.0 . . . . . . . . . . . . A . 4 TRP CE2 . . . . . . . . . rr_2dx4 1 . 8 . 2133 . 1 1 4 TRP CE3 C -2.467 -7.297 -0.614 . . . 1.0 . . . . . . . . . . . . A . 4 TRP CE3 . . . . . . . . . rr_2dx4 1 . 8 . 2134 . 1 1 4 TRP CG C -1.046 -5.141 -0.750 . . . 1.0 . . . . . . . . . . . . A . 4 TRP CG . . . . . . . . . rr_2dx4 1 . 8 . 2135 . 1 1 4 TRP CH2 C -1.822 -8.954 -2.328 . . . 1.0 . . . . . . . . . . . . A . 4 TRP CH2 . . . . . . . . . rr_2dx4 1 . 8 . 2136 . 1 1 4 TRP CZ2 C -0.829 -8.109 -2.838 . . . 1.0 . . . . . . . . . . . . A . 4 TRP CZ2 . . . . . . . . . rr_2dx4 1 . 8 . 2137 . 1 1 4 TRP CZ3 C -2.597 -8.535 -1.253 . . . 1.0 . . . . . . . . . . . . A . 4 TRP CZ3 . . . . . . . . . rr_2dx4 1 . 8 . 2138 . 1 1 4 TRP H H -0.711 -4.125 2.693 . . . 1.0 . . . . . . . . . . . . A . 4 TRP H . . . . . . . . . rr_2dx4 1 . 8 . 2139 . 1 1 4 TRP HA H 0.220 -3.264 0.306 . . . 1.0 . . . . . . . . . . . . A . 4 TRP HA . . . . . . . . . rr_2dx4 1 . 8 . 2140 . 1 1 4 TRP HB2 H -1.836 -4.951 1.237 . . . 1.0 . . . . . . . . . . . . A . 4 TRP HB2 . . . . . . . . . rr_2dx4 1 . 8 . 2141 . 1 1 4 TRP HB3 H -2.583 -3.883 0.065 . . . 1.0 . . . . . . . . . . . . A . 4 TRP HB3 . . . . . . . . . rr_2dx4 1 . 8 . 2142 . 1 1 4 TRP HD1 H 0.490 -3.872 -1.563 . . . 1.0 . . . . . . . . . . . . A . 4 TRP HD1 . . . . . . . . . rr_2dx4 1 . 8 . 2143 . 1 1 4 TRP HE1 H 0.956 -5.825 -3.275 . . . 1.0 . . . . . . . . . . . . A . 4 TRP HE1 . . . . . . . . . rr_2dx4 1 . 8 . 2144 . 1 1 4 TRP HE3 H -3.095 -7.003 0.228 . . . 1.0 . . . . . . . . . . . . A . 4 TRP HE3 . . . . . . . . . rr_2dx4 1 . 8 . 2145 . 1 1 4 TRP HH2 H -1.986 -9.936 -2.772 . . . 1.0 . . . . . . . . . . . . A . 4 TRP HH2 . . . . . . . . . rr_2dx4 1 . 8 . 2146 . 1 1 4 TRP HZ2 H -0.201 -8.403 -3.679 . . . 1.0 . . . . . . . . . . . . A . 4 TRP HZ2 . . . . . . . . . rr_2dx4 1 . 8 . 2147 . 1 1 4 TRP HZ3 H -3.361 -9.219 -0.882 . . . 1.0 . . . . . . . . . . . . A . 4 TRP HZ3 . . . . . . . . . rr_2dx4 1 . 8 . 2148 . 1 1 4 TRP N N -0.429 -3.265 2.267 . . . 1.0 . . . . . . . . . . . . A . 4 TRP N . . . . . . . . . rr_2dx4 1 . 8 . 2149 . 1 1 4 TRP NE1 N 0.201 -5.833 -2.489 . . . 1.0 . . . . . . . . . . . . A . 4 TRP NE1 . . . . . . . . . rr_2dx4 1 . 8 . 2150 . 1 1 4 TRP O O -0.620 -0.863 0.155 . . . 1.0 . . . . . . . . . . . . A . 4 TRP O . . . . . . . . . rr_2dx4 1 . 8 . 2151 . 1 1 5 LEU C C -3.378 -0.092 -0.821 . . . 1.0 . . . . . . . . . . . . A . 5 LEU C . . . . . . . . . rr_2dx4 1 . 8 . 2152 . 1 1 5 LEU CA C -3.313 -0.407 0.675 . . . 1.0 . . . . . . . . . . . . A . 5 LEU CA . . . . . . . . . rr_2dx4 1 . 8 . 2153 . 1 1 5 LEU CB C -2.669 0.702 1.509 . . . 1.0 . . . . . . . . . . . . A . 5 LEU CB . . . . . . . . . rr_2dx4 1 . 8 . 2154 . 1 1 5 LEU CD1 C -2.177 2.570 -0.111 . . . 1.0 . . . . . . . . . . . . A . 5 LEU CD1 . . . . . . . . . rr_2dx4 1 . 8 . 2155 . 1 1 5 LEU CD2 C -4.510 2.292 0.845 . . . 1.0 . . . . . . . . . . . . A . 5 LEU CD2 . . . . . . . . . rr_2dx4 1 . 8 . 2156 . 1 1 5 LEU CG C -3.009 2.135 1.097 . . . 1.0 . . . . . . . . . . . . A . 5 LEU CG . . . . . . . . . rr_2dx4 1 . 8 . 2157 . 1 1 5 LEU H H -3.172 -2.412 1.224 . . . 1.0 . . . . . . . . . . . . A . 5 LEU H . . . . . . . . . rr_2dx4 1 . 8 . 2158 . 1 1 5 LEU HA H -4.329 -0.540 1.045 . . . 1.0 . . . . . . . . . . . . A . 5 LEU HA . . . . . . . . . rr_2dx4 1 . 8 . 2159 . 1 1 5 LEU HB2 H -2.964 0.565 2.550 . . . 1.0 . . . . . . . . . . . . A . 5 LEU HB2 . . . . . . . . . rr_2dx4 1 . 8 . 2160 . 1 1 5 LEU HB3 H -1.587 0.580 1.467 . . . 1.0 . . . . . . . . . . . . A . 5 LEU HB3 . . . . . . . . . rr_2dx4 1 . 8 . 2161 . 1 1 5 LEU HD11 H -1.461 3.333 0.196 . . . 1.0 . . . . . . . . . . . . A . 5 LEU HD11 . . . . . . . . . rr_2dx4 1 . 8 . 2162 . 1 1 5 LEU HD12 H -1.641 1.710 -0.512 . . . 1.0 . . . . . . . . . . . . A . 5 LEU HD12 . . . . . . . . . rr_2dx4 1 . 8 . 2163 . 1 1 5 LEU HD13 H -2.835 2.978 -0.878 . . . 1.0 . . . . . . . . . . . . A . 5 LEU HD13 . . . . . . . . . rr_2dx4 1 . 8 . 2164 . 1 1 5 LEU HD21 H -4.936 2.961 1.592 . . . 1.0 . . . . . . . . . . . . A . 5 LEU HD21 . . . . . . . . . rr_2dx4 1 . 8 . 2165 . 1 1 5 LEU HD22 H -4.670 2.709 -0.150 . . . 1.0 . . . . . . . . . . . . A . 5 LEU HD22 . . . . . . . . . rr_2dx4 1 . 8 . 2166 . 1 1 5 LEU HD23 H -4.993 1.317 0.912 . . . 1.0 . . . . . . . . . . . . A . 5 LEU HD23 . . . . . . . . . rr_2dx4 1 . 8 . 2167 . 1 1 5 LEU HG H -2.751 2.799 1.922 . . . 1.0 . . . . . . . . . . . . A . 5 LEU HG . . . . . . . . . rr_2dx4 1 . 8 . 2168 . 1 1 5 LEU N N -2.610 -1.664 0.871 . . . 1.0 . . . . . . . . . . . . A . 5 LEU N . . . . . . . . . rr_2dx4 1 . 8 . 2169 . 1 1 5 LEU O O -3.775 1.005 -1.211 . . . 1.0 . . . . . . . . . . . . A . 5 LEU O . . . . . . . . . rr_2dx4 1 . 8 . 2170 . 1 1 6 ALA C C -4.322 -0.296 -3.495 . . . 1.0 . . . . . . . . . . . . A . 6 ALA C . . . . . . . . . rr_2dx4 1 . 8 . 2171 . 1 1 6 ALA CA C -2.991 -0.915 -3.062 . . . 1.0 . . . . . . . . . . . . A . 6 ALA CA . . . . . . . . . rr_2dx4 1 . 8 . 2172 . 1 1 6 ALA CB C -2.734 -2.269 -3.726 . . . 1.0 . . . . . . . . . . . . A . 6 ALA CB . . . . . . . . . rr_2dx4 1 . 8 . 2173 . 1 1 6 ALA H H -2.661 -1.963 -1.293 . . . 1.0 . . . . . . . . . . . . A . 6 ALA H . . . . . . . . . rr_2dx4 1 . 8 . 2174 . 1 1 6 ALA HA H -2.181 -0.235 -3.326 . . . 1.0 . . . . . . . . . . . . A . 6 ALA HA . . . . . . . . . rr_2dx4 1 . 8 . 2175 . 1 1 6 ALA HB1 H -3.599 -2.549 -4.327 . . . 1.0 . . . . . . . . . . . . A . 6 ALA HB1 . . . . . . . . . rr_2dx4 1 . 8 . 2176 . 1 1 6 ALA HB2 H -1.855 -2.198 -4.367 . . . 1.0 . . . . . . . . . . . . A . 6 ALA HB2 . . . . . . . . . rr_2dx4 1 . 8 . 2177 . 1 1 6 ALA HB3 H -2.565 -3.024 -2.959 . . . 1.0 . . . . . . . . . . . . A . 6 ALA HB3 . . . . . . . . . rr_2dx4 1 . 8 . 2178 . 1 1 6 ALA N N -2.982 -1.074 -1.618 . . . 1.0 . . . . . . . . . . . . A . 6 ALA N . . . . . . . . . rr_2dx4 1 . 8 . 2179 . 1 1 6 ALA O O -5.296 -1.011 -3.728 . . . 1.0 . . . . . . . . . . . . A . 6 ALA O . . . . . . . . . rr_2dx4 1 . 8 . 2180 . 1 1 7 HIS C C -5.119 3.059 -4.671 . . . 1.0 . . . . . . . . . . . . A . 7 HIS C . . . . . . . . . rr_2dx4 1 . 8 . 2181 . 1 1 7 HIS CA C -5.516 1.748 -3.989 . . . 1.0 . . . . . . . . . . . . A . 7 HIS CA . . . . . . . . . rr_2dx4 1 . 8 . 2182 . 1 1 7 HIS CB C -6.449 1.960 -2.795 . . . 1.0 . . . . . . . . . . . . A . 7 HIS CB . . . . . . . . . rr_2dx4 1 . 8 . 2183 . 1 1 7 HIS CD2 C -6.442 4.453 -2.012 . . . 1.0 . . . . . . . . . . . . A . 7 HIS CD2 . . . . . . . . . rr_2dx4 1 . 8 . 2184 . 1 1 7 HIS CE1 C -8.324 5.076 -2.939 . . . 1.0 . . . . . . . . . . . . A . 7 HIS CE1 . . . . . . . . . rr_2dx4 1 . 8 . 2185 . 1 1 7 HIS CG C -6.964 3.373 -2.661 . . . 1.0 . . . . . . . . . . . . A . 7 HIS CG . . . . . . . . . rr_2dx4 1 . 8 . 2186 . 1 1 7 HIS H H -3.525 1.599 -3.397 . . . 1.0 . . . . . . . . . . . . A . 7 HIS H . . . . . . . . . rr_2dx4 1 . 8 . 2187 . 1 1 7 HIS HA H -6.037 1.117 -4.710 . . . 1.0 . . . . . . . . . . . . A . 7 HIS HA . . . . . . . . . rr_2dx4 1 . 8 . 2188 . 1 1 7 HIS HB2 H -7.298 1.282 -2.885 . . . 1.0 . . . . . . . . . . . . A . 7 HIS HB2 . . . . . . . . . rr_2dx4 1 . 8 . 2189 . 1 1 7 HIS HB3 H -5.920 1.688 -1.881 . . . 1.0 . . . . . . . . . . . . A . 7 HIS HB3 . . . . . . . . . rr_2dx4 1 . 8 . 2190 . 1 1 7 HIS HD1 H -8.770 3.233 -3.780 . . . 1.0 . . . . . . . . . . . . A . 7 HIS HD1 . . . . . . . . . rr_2dx4 1 . 8 . 2191 . 1 1 7 HIS HD2 H -5.509 4.469 -1.450 . . . 1.0 . . . . . . . . . . . . A . 7 HIS HD2 . . . . . . . . . rr_2dx4 1 . 8 . 2192 . 1 1 7 HIS HE1 H -9.166 5.696 -3.247 . . . 1.0 . . . . . . . . . . . . A . 7 HIS HE1 . . . . . . . . . rr_2dx4 1 . 8 . 2193 . 1 1 7 HIS HE2 H -7.157 6.386 -1.768 . . . 1.0 . . . . . . . . . . . . A . 7 HIS HE2 . . . . . . . . . rr_2dx4 1 . 8 . 2194 . 1 1 7 HIS N N -4.321 1.025 -3.589 . . . 1.0 . . . . . . . . . . . . A . 7 HIS N . . . . . . . . . rr_2dx4 1 . 8 . 2195 . 1 1 7 HIS ND1 N -8.150 3.797 -3.235 . . . 1.0 . . . . . . . . . . . . A . 7 HIS ND1 . . . . . . . . . rr_2dx4 1 . 8 . 2196 . 1 1 7 HIS NE2 N -7.264 5.482 -2.182 . . . 1.0 . . . . . . . . . . . . A . 7 HIS NE2 . . . . . . . . . rr_2dx4 1 . 8 . 2197 . 1 1 7 HIS O O -3.939 3.399 -4.731 . . . 1.0 . . . . . . . . . . . . A . 7 HIS O . . . . . . . . . rr_2dx4 1 . 8 . 2198 . 1 1 8 ALA C C -5.321 6.033 -4.847 . . . 1.0 . . . . . . . . . . . . A . 8 ALA C . . . . . . . . . rr_2dx4 1 . 8 . 2199 . 1 1 8 ALA CA C -5.899 5.026 -5.843 . . . 1.0 . . . . . . . . . . . . A . 8 ALA CA . . . . . . . . . rr_2dx4 1 . 8 . 2200 . 1 1 8 ALA CB C -7.206 5.512 -6.472 . . . 1.0 . . . . . . . . . . . . A . 8 ALA CB . . . . . . . . . rr_2dx4 1 . 8 . 2201 . 1 1 8 ALA H H -7.086 3.476 -5.114 . . . 1.0 . . . . . . . . . . . . A . 8 ALA H . . . . . . . . . rr_2dx4 1 . 8 . 2202 . 1 1 8 ALA HA H -5.171 4.852 -6.635 . . . 1.0 . . . . . . . . . . . . A . 8 ALA HA . . . . . . . . . rr_2dx4 1 . 8 . 2203 . 1 1 8 ALA HB1 H -7.036 5.757 -7.520 . . . 1.0 . . . . . . . . . . . . A . 8 ALA HB1 . . . . . . . . . rr_2dx4 1 . 8 . 2204 . 1 1 8 ALA HB2 H -7.959 4.727 -6.400 . . . 1.0 . . . . . . . . . . . . A . 8 ALA HB2 . . . . . . . . . rr_2dx4 1 . 8 . 2205 . 1 1 8 ALA HB3 H -7.555 6.399 -5.944 . . . 1.0 . . . . . . . . . . . . A . 8 ALA HB3 . . . . . . . . . rr_2dx4 1 . 8 . 2206 . 1 1 8 ALA N N -6.128 3.759 -5.168 . . . 1.0 . . . . . . . . . . . . A . 8 ALA N . . . . . . . . . rr_2dx4 1 . 8 . 2207 . 1 1 8 ALA O O -4.848 5.652 -3.777 . . . 1.0 . . . . . . . . . . . . A . 8 ALA O . . . . . . . . . rr_2dx4 1 . 8 . 2208 . 1 1 9 LYS C C -3.370 8.541 -4.648 . . . 1.0 . . . . . . . . . . . . A . 9 LYS C . . . . . . . . . rr_2dx4 1 . 8 . 2209 . 1 1 9 LYS CA C -4.867 8.363 -4.387 . . . 1.0 . . . . . . . . . . . . A . 9 LYS CA . . . . . . . . . rr_2dx4 1 . 8 . 2210 . 1 1 9 LYS CB C -5.208 8.093 -2.921 . . . 1.0 . . . . . . . . . . . . A . 9 LYS CB . . . . . . . . . rr_2dx4 1 . 8 . 2211 . 1 1 9 LYS CD C -7.186 9.172 -1.788 . . . 1.0 . . . . . . . . . . . . A . 9 LYS CD . . . . . . . . . rr_2dx4 1 . 8 . 2212 . 1 1 9 LYS CE C -7.647 10.350 -0.926 . . . 1.0 . . . . . . . . . . . . A . 9 LYS CE . . . . . . . . . rr_2dx4 1 . 8 . 2213 . 1 1 9 LYS CG C -5.736 9.357 -2.239 . . . 1.0 . . . . . . . . . . . . A . 9 LYS CG . . . . . . . . . rr_2dx4 1 . 8 . 2214 . 1 1 9 LYS H H -5.765 7.600 -6.105 . . . 1.0 . . . . . . . . . . . . A . 9 LYS H . . . . . . . . . rr_2dx4 1 . 8 . 2215 . 1 1 9 LYS HA H -5.379 9.282 -4.673 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HA . . . . . . . . . rr_2dx4 1 . 8 . 2216 . 1 1 9 LYS HB2 H -5.956 7.302 -2.856 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HB2 . . . . . . . . . rr_2dx4 1 . 8 . 2217 . 1 1 9 LYS HB3 H -4.322 7.737 -2.397 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HB3 . . . . . . . . . rr_2dx4 1 . 8 . 2218 . 1 1 9 LYS HD2 H -7.833 9.081 -2.660 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HD2 . . . . . . . . . rr_2dx4 1 . 8 . 2219 . 1 1 9 LYS HD3 H -7.280 8.245 -1.223 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HD3 . . . . . . . . . rr_2dx4 1 . 8 . 2220 . 1 1 9 LYS HE2 H -7.012 11.216 -1.114 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HE2 . . . . . . . . . rr_2dx4 1 . 8 . 2221 . 1 1 9 LYS HE3 H -8.663 10.634 -1.200 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HE3 . . . . . . . . . rr_2dx4 1 . 8 . 2222 . 1 1 9 LYS HG2 H -5.112 9.598 -1.378 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HG2 . . . . . . . . . rr_2dx4 1 . 8 . 2223 . 1 1 9 LYS HG3 H -5.670 10.200 -2.926 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HG3 . . . . . . . . . rr_2dx4 1 . 8 . 2224 . 1 1 9 LYS HZ1 H -6.697 9.614 0.727 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HZ1 . . . . . . . . . rr_2dx4 1 . 8 . 2225 . 1 1 9 LYS HZ2 H -7.757 10.809 1.063 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HZ2 . . . . . . . . . rr_2dx4 1 . 8 . 2226 . 1 1 9 LYS HZ3 H -8.301 9.311 0.708 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HZ3 . . . . . . . . . rr_2dx4 1 . 8 . 2227 . 1 1 9 LYS N N -5.379 7.299 -5.233 . . . 1.0 . . . . . . . . . . . . A . 9 LYS N . . . . . . . . . rr_2dx4 1 . 8 . 2228 . 1 1 9 LYS NZ N -7.596 9.992 0.509 . . . 1.0 . . . . . . . . . . . . A . 9 LYS NZ . . . . . . . . . rr_2dx4 1 . 8 . 2229 . 1 1 9 LYS O O -2.541 7.975 -3.936 . . . 1.0 . . . . . . . . . . . . A . 9 LYS O . . . . . . . . . rr_2dx4 1 . 8 . 2230 . 1 1 10 ALA C C -0.894 8.279 -5.974 . . . 1.0 . . . . . . . . . . . . A . 10 ALA C . . . . . . . . . rr_2dx4 1 . 8 . 2231 . 1 1 10 ALA CA C -1.686 9.588 -6.032 . . . 1.0 . . . . . . . . . . . . A . 10 ALA CA . . . . . . . . . rr_2dx4 1 . 8 . 2232 . 1 1 10 ALA CB C -1.107 10.660 -5.107 . . . 1.0 . . . . . . . . . . . . A . 10 ALA CB . . . . . . . . . rr_2dx4 1 . 8 . 2233 . 1 1 10 ALA H H -3.749 9.785 -6.243 . . . 1.0 . . . . . . . . . . . . A . 10 ALA H . . . . . . . . . rr_2dx4 1 . 8 . 2234 . 1 1 10 ALA HA H -1.676 9.964 -7.055 . . . 1.0 . . . . . . . . . . . . A . 10 ALA HA . . . . . . . . . rr_2dx4 1 . 8 . 2235 . 1 1 10 ALA HB1 H -1.736 11.550 -5.144 . . . 1.0 . . . . . . . . . . . . A . 10 ALA HB1 . . . . . . . . . rr_2dx4 1 . 8 . 2236 . 1 1 10 ALA HB2 H -1.074 10.280 -4.086 . . . 1.0 . . . . . . . . . . . . A . 10 ALA HB2 . . . . . . . . . rr_2dx4 1 . 8 . 2237 . 1 1 10 ALA HB3 H -0.099 10.915 -5.433 . . . 1.0 . . . . . . . . . . . . A . 10 ALA HB3 . . . . . . . . . rr_2dx4 1 . 8 . 2238 . 1 1 10 ALA N N -3.069 9.329 -5.669 . . . 1.0 . . . . . . . . . . . . A . 10 ALA N . . . . . . . . . rr_2dx4 1 . 8 . 2239 . 1 1 10 ALA O O 0.210 8.241 -5.434 . . . 1.0 . . . . . . . . . . . . A . 10 ALA O . . . . . . . . . rr_2dx4 1 . 8 . 2240 . 1 1 11 GLY C C -0.440 5.504 -5.149 . . . 1.0 . . . . . . . . . . . . A . 11 GLY C . . . . . . . . . rr_2dx4 1 . 8 . 2241 . 1 1 11 GLY CA C -0.855 5.933 -6.558 . . . 1.0 . . . . . . . . . . . . A . 11 GLY CA . . . . . . . . . rr_2dx4 1 . 8 . 2242 . 1 1 11 GLY H H -2.388 7.279 -6.976 . . . 1.0 . . . . . . . . . . . . A . 11 GLY H . . . . . . . . . rr_2dx4 1 . 8 . 2243 . 1 1 11 GLY HA2 H -1.540 5.197 -6.979 . . . 1.0 . . . . . . . . . . . . A . 11 GLY HA2 . . . . . . . . . rr_2dx4 1 . 8 . 2244 . 1 1 11 GLY HA3 H 0.021 5.960 -7.207 . . . 1.0 . . . . . . . . . . . . A . 11 GLY HA3 . . . . . . . . . rr_2dx4 1 . 8 . 2245 . 1 1 11 GLY N N -1.490 7.239 -6.539 . . . 1.0 . . . . . . . . . . . . A . 11 GLY N . . . . . . . . . rr_2dx4 1 . 8 . 2246 . 1 1 11 GLY O O 0.622 4.910 -4.965 . . . 1.0 . . . . . . . . . . . . A . 11 GLY O . . . . . . . . . rr_2dx4 1 . 8 . 2247 . 1 1 12 TYR C C -0.612 4.011 -2.676 . . . 1.0 . . . . . . . . . . . . A . 12 TYR C . . . . . . . . . rr_2dx4 1 . 8 . 2248 . 1 1 12 TYR CA C -1.034 5.476 -2.805 . . . 1.0 . . . . . . . . . . . . A . 12 TYR CA . . . . . . . . . rr_2dx4 1 . 8 . 2249 . 1 1 12 TYR CB C -2.355 5.681 -2.061 . . . 1.0 . . . . . . . . . . . . A . 12 TYR CB . . . . . . . . . rr_2dx4 1 . 8 . 2250 . 1 1 12 TYR CD1 C -1.144 6.403 0.030 . . . 1.0 . . . . . . . . . . . . A . 12 TYR CD1 . . . . . . . . . rr_2dx4 1 . 8 . 2251 . 1 1 12 TYR CD2 C -3.144 5.115 0.266 . . . 1.0 . . . . . . . . . . . . A . 12 TYR CD2 . . . . . . . . . rr_2dx4 1 . 8 . 2252 . 1 1 12 TYR CE1 C -1.007 6.454 1.462 . . . 1.0 . . . . . . . . . . . . A . 12 TYR CE1 . . . . . . . . . rr_2dx4 1 . 8 . 2253 . 1 1 12 TYR CE2 C -3.007 5.165 1.699 . . . 1.0 . . . . . . . . . . . . A . 12 TYR CE2 . . . . . . . . . rr_2dx4 1 . 8 . 2254 . 1 1 12 TYR CG C -2.209 5.735 -0.539 . . . 1.0 . . . . . . . . . . . . A . 12 TYR CG . . . . . . . . . rr_2dx4 1 . 8 . 2255 . 1 1 12 TYR CZ C -1.945 5.832 2.226 . . . 1.0 . . . . . . . . . . . . A . 12 TYR CZ . . . . . . . . . rr_2dx4 1 . 8 . 2256 . 1 1 12 TYR H H -2.159 6.304 -4.350 . . . 1.0 . . . . . . . . . . . . A . 12 TYR H . . . . . . . . . rr_2dx4 1 . 8 . 2257 . 1 1 12 TYR HA H -0.225 6.113 -2.448 . . . 1.0 . . . . . . . . . . . . A . 12 TYR HA . . . . . . . . . rr_2dx4 1 . 8 . 2258 . 1 1 12 TYR HB2 H -2.814 6.609 -2.404 . . . 1.0 . . . . . . . . . . . . A . 12 TYR HB2 . . . . . . . . . rr_2dx4 1 . 8 . 2259 . 1 1 12 TYR HB3 H -3.037 4.872 -2.322 . . . 1.0 . . . . . . . . . . . . A . 12 TYR HB3 . . . . . . . . . rr_2dx4 1 . 8 . 2260 . 1 1 12 TYR HD1 H -0.406 6.893 -0.606 . . . 1.0 . . . . . . . . . . . . A . 12 TYR HD1 . . . . . . . . . rr_2dx4 1 . 8 . 2261 . 1 1 12 TYR HD2 H -3.985 4.587 -0.183 . . . 1.0 . . . . . . . . . . . . A . 12 TYR HD2 . . . . . . . . . rr_2dx4 1 . 8 . 2262 . 1 1 12 TYR HE1 H -0.170 6.978 1.924 . . . 1.0 . . . . . . . . . . . . A . 12 TYR HE1 . . . . . . . . . rr_2dx4 1 . 8 . 2263 . 1 1 12 TYR HE2 H -3.737 4.680 2.346 . . . 1.0 . . . . . . . . . . . . A . 12 TYR HE2 . . . . . . . . . rr_2dx4 1 . 8 . 2264 . 1 1 12 TYR HH H -0.855 5.768 3.835 . . . 1.0 . . . . . . . . . . . . A . 12 TYR HH . . . . . . . . . rr_2dx4 1 . 8 . 2265 . 1 1 12 TYR N N -1.298 5.821 -4.192 . . . 1.0 . . . . . . . . . . . . A . 12 TYR N . . . . . . . . . rr_2dx4 1 . 8 . 2266 . 1 1 12 TYR O O 0.036 3.632 -1.701 . . . 1.0 . . . . . . . . . . . . A . 12 TYR O . . . . . . . . . rr_2dx4 1 . 8 . 2267 . 1 1 12 TYR OH O -1.816 5.880 3.579 . . . 1.0 . . . . . . . . . . . . A . 12 TYR OH . . . . . . . . . rr_2dx4 1 . 8 . 2268 . 1 1 13 ILE C C 0.836 1.643 -3.438 . . . 1.0 . . . . . . . . . . . . A . 13 ILE C . . . . . . . . . rr_2dx4 1 . 8 . 2269 . 1 1 13 ILE CA C -0.665 1.813 -3.682 . . . 1.0 . . . . . . . . . . . . A . 13 ILE CA . . . . . . . . . rr_2dx4 1 . 8 . 2270 . 1 1 13 ILE CB C -1.155 1.157 -4.975 . . . 1.0 . . . . . . . . . . . . A . 13 ILE CB . . . . . . . . . rr_2dx4 1 . 8 . 2271 . 1 1 13 ILE CD1 C 0.814 -0.102 -5.923 . . . 1.0 . . . . . . . . . . . . A . 13 ILE CD1 . . . . . . . . . rr_2dx4 1 . 8 . 2272 . 1 1 13 ILE CG1 C -0.513 -0.218 -5.170 . . . 1.0 . . . . . . . . . . . . A . 13 ILE CG1 . . . . . . . . . rr_2dx4 1 . 8 . 2273 . 1 1 13 ILE CG2 C -0.923 2.074 -6.177 . . . 1.0 . . . . . . . . . . . . A . 13 ILE CG2 . . . . . . . . . rr_2dx4 1 . 8 . 2274 . 1 1 13 ILE H H -1.522 3.544 -4.462 . . . 1.0 . . . . . . . . . . . . A . 13 ILE H . . . . . . . . . rr_2dx4 1 . 8 . 2275 . 1 1 13 ILE HA H -1.204 1.345 -2.859 . . . 1.0 . . . . . . . . . . . . A . 13 ILE HA . . . . . . . . . rr_2dx4 1 . 8 . 2276 . 1 1 13 ILE HB H -2.231 1.001 -4.892 . . . 1.0 . . . . . . . . . . . . A . 13 ILE HB . . . . . . . . . rr_2dx4 1 . 8 . 2277 . 1 1 13 ILE HD11 H 0.623 -0.099 -6.996 . . . 1.0 . . . . . . . . . . . . A . 13 ILE HD11 . . . . . . . . . rr_2dx4 1 . 8 . 2278 . 1 1 13 ILE HD12 H 1.312 0.825 -5.640 . . . 1.0 . . . . . . . . . . . . A . 13 ILE HD12 . . . . . . . . . rr_2dx4 1 . 8 . 2279 . 1 1 13 ILE HD13 H 1.451 -0.949 -5.670 . . . 1.0 . . . . . . . . . . . . A . 13 ILE HD13 . . . . . . . . . rr_2dx4 1 . 8 . 2280 . 1 1 13 ILE HG12 H -0.344 -0.685 -4.199 . . . 1.0 . . . . . . . . . . . . A . 13 ILE HG12 . . . . . . . . . rr_2dx4 1 . 8 . 2281 . 1 1 13 ILE HG13 H -1.193 -0.866 -5.722 . . . 1.0 . . . . . . . . . . . . A . 13 ILE HG13 . . . . . . . . . rr_2dx4 1 . 8 . 2282 . 1 1 13 ILE HG21 H -1.792 2.716 -6.318 . . . 1.0 . . . . . . . . . . . . A . 13 ILE HG21 . . . . . . . . . rr_2dx4 1 . 8 . 2283 . 1 1 13 ILE HG22 H -0.041 2.689 -6.000 . . . 1.0 . . . . . . . . . . . . A . 13 ILE HG22 . . . . . . . . . rr_2dx4 1 . 8 . 2284 . 1 1 13 ILE HG23 H -0.770 1.469 -7.071 . . . 1.0 . . . . . . . . . . . . A . 13 ILE HG23 . . . . . . . . . rr_2dx4 1 . 8 . 2285 . 1 1 13 ILE N N -0.995 3.228 -3.673 . . . 1.0 . . . . . . . . . . . . A . 13 ILE N . . . . . . . . . rr_2dx4 1 . 8 . 2286 . 1 1 13 ILE O O 1.643 2.426 -3.937 . . . 1.0 . . . . . . . . . . . . A . 13 ILE O . . . . . . . . . rr_2dx4 1 . 8 . 2287 . 1 1 14 VAL C C 2.908 -1.075 -2.837 . . . 1.0 . . . . . . . . . . . . A . 14 VAL C . . . . . . . . . rr_2dx4 1 . 8 . 2288 . 1 1 14 VAL CA C 2.555 0.332 -2.352 . . . 1.0 . . . . . . . . . . . . A . 14 VAL CA . . . . . . . . . rr_2dx4 1 . 8 . 2289 . 1 1 14 VAL CB C 2.800 0.527 -0.855 . . . 1.0 . . . . . . . . . . . . A . 14 VAL CB . . . . . . . . . rr_2dx4 1 . 8 . 2290 . 1 1 14 VAL CG1 C 2.510 -0.759 -0.079 . . . 1.0 . . . . . . . . . . . . A . 14 VAL CG1 . . . . . . . . . rr_2dx4 1 . 8 . 2291 . 1 1 14 VAL CG2 C 4.225 1.017 -0.592 . . . 1.0 . . . . . . . . . . . . A . 14 VAL CG2 . . . . . . . . . rr_2dx4 1 . 8 . 2292 . 1 1 14 VAL H H 0.503 -0.017 -2.267 . . . 1.0 . . . . . . . . . . . . A . 14 VAL H . . . . . . . . . rr_2dx4 1 . 8 . 2293 . 1 1 14 VAL HA H 3.168 1.053 -2.892 . . . 1.0 . . . . . . . . . . . . A . 14 VAL HA . . . . . . . . . rr_2dx4 1 . 8 . 2294 . 1 1 14 VAL HB H 2.111 1.294 -0.500 . . . 1.0 . . . . . . . . . . . . A . 14 VAL HB . . . . . . . . . rr_2dx4 1 . 8 . 2295 . 1 1 14 VAL HG11 H 3.450 -1.250 0.173 . . . 1.0 . . . . . . . . . . . . A . 14 VAL HG11 . . . . . . . . . rr_2dx4 1 . 8 . 2296 . 1 1 14 VAL HG12 H 1.969 -0.519 0.836 . . . 1.0 . . . . . . . . . . . . A . 14 VAL HG12 . . . . . . . . . rr_2dx4 1 . 8 . 2297 . 1 1 14 VAL HG13 H 1.906 -1.426 -0.694 . . . 1.0 . . . . . . . . . . . . A . 14 VAL HG13 . . . . . . . . . rr_2dx4 1 . 8 . 2298 . 1 1 14 VAL HG21 H 4.787 0.240 -0.074 . . . 1.0 . . . . . . . . . . . . A . 14 VAL HG21 . . . . . . . . . rr_2dx4 1 . 8 . 2299 . 1 1 14 VAL HG22 H 4.711 1.246 -1.540 . . . 1.0 . . . . . . . . . . . . A . 14 VAL HG22 . . . . . . . . . rr_2dx4 1 . 8 . 2300 . 1 1 14 VAL HG23 H 4.193 1.915 0.026 . . . 1.0 . . . . . . . . . . . . A . 14 VAL HG23 . . . . . . . . . rr_2dx4 1 . 8 . 2301 . 1 1 14 VAL N N 1.165 0.615 -2.669 . . . 1.0 . . . . . . . . . . . . A . 14 VAL N . . . . . . . . . rr_2dx4 1 . 8 . 2302 . 1 1 14 VAL O O 2.258 -1.607 -3.737 . . . 1.0 . . . . . . . . . . . . A . 14 VAL O . . . . . . . . . rr_2dx4 1 . 8 . 2303 . 1 1 15 HIS C C 5.470 -3.430 -1.602 . . . 1.0 . . . . . . . . . . . . A . 15 HIS C . . . . . . . . . rr_2dx4 1 . 8 . 2304 . 1 1 15 HIS CA C 4.383 -2.974 -2.577 . . . 1.0 . . . . . . . . . . . . A . 15 HIS CA . . . . . . . . . rr_2dx4 1 . 8 . 2305 . 1 1 15 HIS CB C 4.838 -3.022 -4.037 . . . 1.0 . . . . . . . . . . . . A . 15 HIS CB . . . . . . . . . rr_2dx4 1 . 8 . 2306 . 1 1 15 HIS CD2 C 2.587 -4.065 -4.862 . . . 1.0 . . . . . . . . . . . . A . 15 HIS CD2 . . . . . . . . . rr_2dx4 1 . 8 . 2307 . 1 1 15 HIS CE1 C 2.639 -3.329 -6.922 . . . 1.0 . . . . . . . . . . . . A . 15 HIS CE1 . . . . . . . . . rr_2dx4 1 . 8 . 2308 . 1 1 15 HIS CG C 3.732 -3.338 -5.015 . . . 1.0 . . . . . . . . . . . . A . 15 HIS CG . . . . . . . . . rr_2dx4 1 . 8 . 2309 . 1 1 15 HIS H H 4.458 -1.200 -1.489 . . . 1.0 . . . . . . . . . . . . A . 15 HIS H . . . . . . . . . rr_2dx4 1 . 8 . 2310 . 1 1 15 HIS HA H 3.519 -3.631 -2.477 . . . 1.0 . . . . . . . . . . . . A . 15 HIS HA . . . . . . . . . rr_2dx4 1 . 8 . 2311 . 1 1 15 HIS HB2 H 5.279 -2.061 -4.302 . . . 1.0 . . . . . . . . . . . . A . 15 HIS HB2 . . . . . . . . . rr_2dx4 1 . 8 . 2312 . 1 1 15 HIS HB3 H 5.623 -3.772 -4.138 . . . 1.0 . . . . . . . . . . . . A . 15 HIS HB3 . . . . . . . . . rr_2dx4 1 . 8 . 2313 . 1 1 15 HIS HD1 H 4.447 -2.326 -6.746 . . . 1.0 . . . . . . . . . . . . A . 15 HIS HD1 . . . . . . . . . rr_2dx4 1 . 8 . 2314 . 1 1 15 HIS HD2 H 2.268 -4.566 -3.948 . . . 1.0 . . . . . . . . . . . . A . 15 HIS HD2 . . . . . . . . . rr_2dx4 1 . 8 . 2315 . 1 1 15 HIS HE1 H 2.355 -3.142 -7.958 . . . 1.0 . . . . . . . . . . . . A . 15 HIS HE1 . . . . . . . . . rr_2dx4 1 . 8 . 2316 . 1 1 15 HIS HE2 H 1.083 -4.558 -6.204 . . . 1.0 . . . . . . . . . . . . A . 15 HIS HE2 . . . . . . . . . rr_2dx4 1 . 8 . 2317 . 1 1 15 HIS N N 3.936 -1.639 -2.220 . . . 1.0 . . . . . . . . . . . . A . 15 HIS N . . . . . . . . . rr_2dx4 1 . 8 . 2318 . 1 1 15 HIS ND1 N 3.736 -2.888 -6.324 . . . 1.0 . . . . . . . . . . . . A . 15 HIS ND1 . . . . . . . . . rr_2dx4 1 . 8 . 2319 . 1 1 15 HIS NE2 N 1.928 -4.057 -6.014 . . . 1.0 . . . . . . . . . . . . A . 15 HIS NE2 . . . . . . . . . rr_2dx4 1 . 8 . 2320 . 1 1 15 HIS O O 6.555 -3.831 -2.020 . . . 1.0 . . . . . . . . . . . . A . 15 HIS O . . . . . . . . . rr_2dx4 1 . 8 . 2321 . 1 1 16 TRP C C 6.417 -5.228 0.504 . . . 1.0 . . . . . . . . . . . . A . 16 TRP C . . . . . . . . . rr_2dx4 1 . 8 . 2322 . 1 1 16 TRP CA C 6.077 -3.751 0.717 . . . 1.0 . . . . . . . . . . . . A . 16 TRP CA . . . . . . . . . rr_2dx4 1 . 8 . 2323 . 1 1 16 TRP CB C 5.508 -3.464 2.108 . . . 1.0 . . . . . . . . . . . . A . 16 TRP CB . . . . . . . . . rr_2dx4 1 . 8 . 2324 . 1 1 16 TRP CD1 C 3.638 -1.721 2.466 . . . 1.0 . . . . . . . . . . . . A . 16 TRP CD1 . . . . . . . . . rr_2dx4 1 . 8 . 2325 . 1 1 16 TRP CD2 C 5.642 -0.813 2.212 . . . 1.0 . . . . . . . . . . . . A . 16 TRP CD2 . . . . . . . . . rr_2dx4 1 . 8 . 2326 . 1 1 16 TRP CE2 C 4.742 0.217 2.393 . . . 1.0 . . . . . . . . . . . . A . 16 TRP CE2 . . . . . . . . . rr_2dx4 1 . 8 . 2327 . 1 1 16 TRP CE3 C 7.013 -0.564 2.021 . . . 1.0 . . . . . . . . . . . . A . 16 TRP CE3 . . . . . . . . . rr_2dx4 1 . 8 . 2328 . 1 1 16 TRP CG C 4.918 -2.060 2.261 . . . 1.0 . . . . . . . . . . . . A . 16 TRP CG . . . . . . . . . rr_2dx4 1 . 8 . 2329 . 1 1 16 TRP CH2 C 6.474 1.840 2.213 . . . 1.0 . . . . . . . . . . . . A . 16 TRP CH2 . . . . . . . . . rr_2dx4 1 . 8 . 2330 . 1 1 16 TRP CZ2 C 5.114 1.567 2.402 . . . 1.0 . . . . . . . . . . . . A . 16 TRP CZ2 . . . . . . . . . rr_2dx4 1 . 8 . 2331 . 1 1 16 TRP CZ3 C 7.368 0.791 2.032 . . . 1.0 . . . . . . . . . . . . A . 16 TRP CZ3 . . . . . . . . . rr_2dx4 1 . 8 . 2332 . 1 1 16 TRP H H 4.257 -3.025 0.010 . . . 1.0 . . . . . . . . . . . . A . 16 TRP H . . . . . . . . . rr_2dx4 1 . 8 . 2333 . 1 1 16 TRP HA H 6.974 -3.142 0.609 . . . 1.0 . . . . . . . . . . . . A . 16 TRP HA . . . . . . . . . rr_2dx4 1 . 8 . 2334 . 1 1 16 TRP HB2 H 4.734 -4.198 2.332 . . . 1.0 . . . . . . . . . . . . A . 16 TRP HB2 . . . . . . . . . rr_2dx4 1 . 8 . 2335 . 1 1 16 TRP HB3 H 6.298 -3.597 2.847 . . . 1.0 . . . . . . . . . . . . A . 16 TRP HB3 . . . . . . . . . rr_2dx4 1 . 8 . 2336 . 1 1 16 TRP HD1 H 2.820 -2.437 2.553 . . . 1.0 . . . . . . . . . . . . A . 16 TRP HD1 . . . . . . . . . rr_2dx4 1 . 8 . 2337 . 1 1 16 TRP HE1 H 2.549 0.183 2.716 . . . 1.0 . . . . . . . . . . . . A . 16 TRP HE1 . . . . . . . . . rr_2dx4 1 . 8 . 2338 . 1 1 16 TRP HE3 H 7.743 -1.359 1.876 . . . 1.0 . . . . . . . . . . . . A . 16 TRP HE3 . . . . . . . . . rr_2dx4 1 . 8 . 2339 . 1 1 16 TRP HH2 H 6.831 2.870 2.209 . . . 1.0 . . . . . . . . . . . . A . 16 TRP HH2 . . . . . . . . . rr_2dx4 1 . 8 . 2340 . 1 1 16 TRP HZ2 H 4.383 2.363 2.547 . . . 1.0 . . . . . . . . . . . . A . 16 TRP HZ2 . . . . . . . . . rr_2dx4 1 . 8 . 2341 . 1 1 16 TRP HZ3 H 8.419 1.040 1.889 . . . 1.0 . . . . . . . . . . . . A . 16 TRP HZ3 . . . . . . . . . rr_2dx4 1 . 8 . 2342 . 1 1 16 TRP N N 5.142 -3.352 -0.321 . . . 1.0 . . . . . . . . . . . . A . 16 TRP N . . . . . . . . . rr_2dx4 1 . 8 . 2343 . 1 1 16 TRP NE1 N 3.484 -0.352 2.552 . . . 1.0 . . . . . . . . . . . . A . 16 TRP NE1 . . . . . . . . . rr_2dx4 1 . 8 . 2344 . 1 1 16 TRP O O 6.217 -5.764 -0.584 . . . 1.0 . . . . . . . . . . . . A . 16 TRP O . . . . . . . . . rr_2dx4 1 . 8 . 2345 . 1 1 17 THR C C 7.235 -7.872 2.899 . . . 1.0 . . . . . . . . . . . . A . 17 THR C . . . . . . . . . rr_2dx4 1 . 8 . 2346 . 1 1 17 THR CA C 7.297 -7.247 1.504 . . . 1.0 . . . . . . . . . . . . A . 17 THR CA . . . . . . . . . rr_2dx4 1 . 8 . 2347 . 1 1 17 THR CB C 8.679 -7.345 0.855 . . . 1.0 . . . . . . . . . . . . A . 17 THR CB . . . . . . . . . rr_2dx4 1 . 8 . 2348 . 1 1 17 THR CG2 C 8.619 -7.905 -0.568 . . . 1.0 . . . . . . . . . . . . A . 17 THR CG2 . . . . . . . . . rr_2dx4 1 . 8 . 2349 . 1 1 17 THR H H 7.086 -5.399 2.443 . . . 1.0 . . . . . . . . . . . . A . 17 THR H . . . . . . . . . rr_2dx4 1 . 8 . 2350 . 1 1 17 THR HA H 6.567 -7.770 0.887 . . . 1.0 . . . . . . . . . . . . A . 17 THR HA . . . . . . . . . rr_2dx4 1 . 8 . 2351 . 1 1 17 THR HB H 9.359 -7.929 1.475 . . . 1.0 . . . . . . . . . . . . A . 17 THR HB . . . . . . . . . rr_2dx4 1 . 8 . 2352 . 1 1 17 THR HG1 H 9.425 -5.618 1.538 . . . 1.0 . . . . . . . . . . . . A . 17 THR HG1 . . . . . . . . . rr_2dx4 1 . 8 . 2353 . 1 1 17 THR HG21 H 8.853 -8.969 -0.550 . . . 1.0 . . . . . . . . . . . . A . 17 THR HG21 . . . . . . . . . rr_2dx4 1 . 8 . 2354 . 1 1 17 THR HG22 H 7.617 -7.760 -0.973 . . . 1.0 . . . . . . . . . . . . A . 17 THR HG22 . . . . . . . . . rr_2dx4 1 . 8 . 2355 . 1 1 17 THR HG23 H 9.343 -7.384 -1.194 . . . 1.0 . . . . . . . . . . . . A . 17 THR HG23 . . . . . . . . . rr_2dx4 1 . 8 . 2356 . 1 1 17 THR N N 6.927 -5.843 1.562 . . . 1.0 . . . . . . . . . . . . A . 17 THR N . . . . . . . . . rr_2dx4 1 . 8 . 2357 . 1 1 17 THR O O 7.860 -8.901 3.150 . . . 1.0 . . . . . . . . . . . . A . 17 THR O . . . . . . . . . rr_2dx4 1 . 8 . 2358 . 1 1 17 THR OG1 O 9.076 -5.988 0.677 . . . 1.0 . . . . . . . . . . . . A . 17 THR OG1 . . . . . . . . . rr_2dx4 1 . 8 . 2359 . 1 1 18 ALA C C 7.674 -7.623 5.850 . . . 1.0 . . . . . . . . . . . . A . 18 ALA C . . . . . . . . . rr_2dx4 1 . 8 . 2360 . 1 1 18 ALA CA C 6.325 -7.703 5.133 . . . 1.0 . . . . . . . . . . . . A . 18 ALA CA . . . . . . . . . rr_2dx4 1 . 8 . 2361 . 1 1 18 ALA CB C 5.757 -9.124 5.115 . . . 1.0 . . . . . . . . . . . . A . 18 ALA CB . . . . . . . . . rr_2dx4 1 . 8 . 2362 . 1 1 18 ALA H H 5.971 -6.387 3.558 . . . 1.0 . . . . . . . . . . . . A . 18 ALA H . . . . . . . . . rr_2dx4 1 . 8 . 2363 . 1 1 18 ALA HA H 5.615 -7.048 5.639 . . . 1.0 . . . . . . . . . . . . A . 18 ALA HA . . . . . . . . . rr_2dx4 1 . 8 . 2364 . 1 1 18 ALA HB1 H 5.972 -9.588 4.152 . . . 1.0 . . . . . . . . . . . . A . 18 ALA HB1 . . . . . . . . . rr_2dx4 1 . 8 . 2365 . 1 1 18 ALA HB2 H 6.217 -9.709 5.911 . . . 1.0 . . . . . . . . . . . . A . 18 ALA HB2 . . . . . . . . . rr_2dx4 1 . 8 . 2366 . 1 1 18 ALA HB3 H 4.679 -9.087 5.268 . . . 1.0 . . . . . . . . . . . . A . 18 ALA HB3 . . . . . . . . . rr_2dx4 1 . 8 . 2367 . 1 1 18 ALA N N 6.476 -7.224 3.770 . . . 1.0 . . . . . . . . . . . . A . 18 ALA N . . . . . . . . . rr_2dx4 1 . 8 . 2368 . 1 1 18 ALA O O 7.734 -7.687 7.077 . . . 1.0 . . . . . . . . . . . . A . 18 ALA O . . . . . . . . . rr_2dx4 1 . 9 . 2369 . 1 1 1 ILE C C 2.708 -3.979 7.958 . . . 1.0 . . . . . . . . . . . . A . 1 ILE C . . . . . . . . . rr_2dx4 1 . 9 . 2370 . 1 1 1 ILE CA C 2.658 -4.932 9.154 . . . 1.0 . . . . . . . . . . . . A . 1 ILE CA . . . . . . . . . rr_2dx4 1 . 9 . 2371 . 1 1 1 ILE CB C 1.292 -5.589 9.360 . . . 1.0 . . . . . . . . . . . . A . 1 ILE CB . . . . . . . . . rr_2dx4 1 . 9 . 2372 . 1 1 1 ILE CD1 C 0.015 -6.913 11.085 . . . 1.0 . . . . . . . . . . . . A . 1 ILE CD1 . . . . . . . . . rr_2dx4 1 . 9 . 2373 . 1 1 1 ILE CG1 C 1.371 -6.700 10.409 . . . 1.0 . . . . . . . . . . . . A . 1 ILE CG1 . . . . . . . . . rr_2dx4 1 . 9 . 2374 . 1 1 1 ILE CG2 C 0.720 -6.093 8.034 . . . 1.0 . . . . . . . . . . . . A . 1 ILE CG2 . . . . . . . . . rr_2dx4 1 . 9 . 2375 . 1 1 1 ILE H1 H 3.994 -4.422 10.669 . . . 1.0 . . . . . . . . . . . . A . 1 ILE H1 . . . . . . . . . rr_2dx4 1 . 9 . 2376 . 1 1 1 ILE HA H 3.379 -5.733 8.987 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HA . . . . . . . . . rr_2dx4 1 . 9 . 2377 . 1 1 1 ILE HB H 0.604 -4.835 9.741 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HB . . . . . . . . . rr_2dx4 1 . 9 . 2378 . 1 1 1 ILE HD11 H -0.773 -6.898 10.332 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HD11 . . . . . . . . . rr_2dx4 1 . 9 . 2379 . 1 1 1 ILE HD12 H 0.011 -7.876 11.596 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HD12 . . . . . . . . . rr_2dx4 1 . 9 . 2380 . 1 1 1 ILE HD13 H -0.159 -6.117 11.810 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HD13 . . . . . . . . . rr_2dx4 1 . 9 . 2381 . 1 1 1 ILE HG12 H 1.696 -7.628 9.938 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HG12 . . . . . . . . . rr_2dx4 1 . 9 . 2382 . 1 1 1 ILE HG13 H 2.119 -6.444 11.159 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HG13 . . . . . . . . . rr_2dx4 1 . 9 . 2383 . 1 1 1 ILE HG21 H 1.422 -6.791 7.577 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HG21 . . . . . . . . . rr_2dx4 1 . 9 . 2384 . 1 1 1 ILE HG22 H -0.229 -6.599 8.216 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HG22 . . . . . . . . . rr_2dx4 1 . 9 . 2385 . 1 1 1 ILE HG23 H 0.558 -5.249 7.364 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HG23 . . . . . . . . . rr_2dx4 1 . 9 . 2386 . 1 1 1 ILE N N 3.067 -4.220 10.352 . . . 1.0 . . . . . . . . . . . . A . 1 ILE N . . . . . . . . . rr_2dx4 1 . 9 . 2387 . 1 1 1 ILE O O 2.773 -2.763 8.131 . . . 1.0 . . . . . . . . . . . . A . 1 ILE O . . . . . . . . . rr_2dx4 1 . 9 . 2388 . 1 1 2 ASN C C 1.334 -3.178 5.289 . . . 1.0 . . . . . . . . . . . . A . 2 ASN C . . . . . . . . . rr_2dx4 1 . 9 . 2389 . 1 1 2 ASN CA C 2.715 -3.786 5.547 . . . 1.0 . . . . . . . . . . . . A . 2 ASN CA . . . . . . . . . rr_2dx4 1 . 9 . 2390 . 1 1 2 ASN CB C 3.077 -4.662 4.346 . . . 1.0 . . . . . . . . . . . . A . 2 ASN CB . . . . . . . . . rr_2dx4 1 . 9 . 2391 . 1 1 2 ASN CG C 1.877 -5.495 3.893 . . . 1.0 . . . . . . . . . . . . A . 2 ASN CG . . . . . . . . . rr_2dx4 1 . 9 . 2392 . 1 1 2 ASN H H 2.621 -5.557 6.639 . . . 1.0 . . . . . . . . . . . . A . 2 ASN H . . . . . . . . . rr_2dx4 1 . 9 . 2393 . 1 1 2 ASN HA H 3.479 -3.028 5.716 . . . 1.0 . . . . . . . . . . . . A . 2 ASN HA . . . . . . . . . rr_2dx4 1 . 9 . 2394 . 1 1 2 ASN HB2 H 3.420 -4.034 3.523 . . . 1.0 . . . . . . . . . . . . A . 2 ASN HB2 . . . . . . . . . rr_2dx4 1 . 9 . 2395 . 1 1 2 ASN HB3 H 3.904 -5.321 4.609 . . . 1.0 . . . . . . . . . . . . A . 2 ASN HB3 . . . . . . . . . rr_2dx4 1 . 9 . 2396 . 1 1 2 ASN HD21 H 1.863 -4.447 2.161 . . . 1.0 . . . . . . . . . . . . A . 2 ASN HD21 . . . . . . . . . rr_2dx4 1 . 9 . 2397 . 1 1 2 ASN HD22 H 0.639 -5.665 2.300 . . . 1.0 . . . . . . . . . . . . A . 2 ASN HD22 . . . . . . . . . rr_2dx4 1 . 9 . 2398 . 1 1 2 ASN N N 2.675 -4.567 6.771 . . . 1.0 . . . . . . . . . . . . A . 2 ASN N . . . . . . . . . rr_2dx4 1 . 9 . 2399 . 1 1 2 ASN ND2 N 1.422 -5.176 2.685 . . . 1.0 . . . . . . . . . . . . A . 2 ASN ND2 . . . . . . . . . rr_2dx4 1 . 9 . 2400 . 1 1 2 ASN O O 0.324 -3.878 5.344 . . . 1.0 . . . . . . . . . . . . A . 2 ASN O . . . . . . . . . rr_2dx4 1 . 9 . 2401 . 1 1 2 ASN OD1 O 1.395 -6.370 4.594 . . . 1.0 . . . . . . . . . . . . A . 2 ASN OD1 . . . . . . . . . rr_2dx4 1 . 9 . 2402 . 1 1 3 TYR C C -0.122 -0.995 3.245 . . . 1.0 . . . . . . . . . . . . A . 3 TYR C . . . . . . . . . rr_2dx4 1 . 9 . 2403 . 1 1 3 TYR CA C 0.096 -1.172 4.748 . . . 1.0 . . . . . . . . . . . . A . 3 TYR CA . . . . . . . . . rr_2dx4 1 . 9 . 2404 . 1 1 3 TYR CB C 0.253 0.206 5.395 . . . 1.0 . . . . . . . . . . . . A . 3 TYR CB . . . . . . . . . rr_2dx4 1 . 9 . 2405 . 1 1 3 TYR CD1 C 0.843 -0.185 7.815 . . . 1.0 . . . . . . . . . . . . A . 3 TYR CD1 . . . . . . . . . rr_2dx4 1 . 9 . 2406 . 1 1 3 TYR CD2 C 2.530 0.688 6.363 . . . 1.0 . . . . . . . . . . . . A . 3 TYR CD2 . . . . . . . . . rr_2dx4 1 . 9 . 2407 . 1 1 3 TYR CE1 C 1.772 -0.155 8.914 . . . 1.0 . . . . . . . . . . . . A . 3 TYR CE1 . . . . . . . . . rr_2dx4 1 . 9 . 2408 . 1 1 3 TYR CE2 C 3.460 0.717 7.463 . . . 1.0 . . . . . . . . . . . . A . 3 TYR CE2 . . . . . . . . . rr_2dx4 1 . 9 . 2409 . 1 1 3 TYR CG C 1.241 0.237 6.562 . . . 1.0 . . . . . . . . . . . . A . 3 TYR CG . . . . . . . . . rr_2dx4 1 . 9 . 2410 . 1 1 3 TYR CZ C 3.035 0.294 8.683 . . . 1.0 . . . . . . . . . . . . A . 3 TYR CZ . . . . . . . . . rr_2dx4 1 . 9 . 2411 . 1 1 3 TYR H H 2.162 -1.320 4.972 . . . 1.0 . . . . . . . . . . . . A . 3 TYR H . . . . . . . . . rr_2dx4 1 . 9 . 2412 . 1 1 3 TYR HA H -0.723 -1.760 5.161 . . . 1.0 . . . . . . . . . . . . A . 3 TYR HA . . . . . . . . . rr_2dx4 1 . 9 . 2413 . 1 1 3 TYR HB2 H 0.580 0.917 4.636 . . . 1.0 . . . . . . . . . . . . A . 3 TYR HB2 . . . . . . . . . rr_2dx4 1 . 9 . 2414 . 1 1 3 TYR HB3 H -0.722 0.543 5.747 . . . 1.0 . . . . . . . . . . . . A . 3 TYR HB3 . . . . . . . . . rr_2dx4 1 . 9 . 2415 . 1 1 3 TYR HD1 H -0.176 -0.540 7.972 . . . 1.0 . . . . . . . . . . . . A . 3 TYR HD1 . . . . . . . . . rr_2dx4 1 . 9 . 2416 . 1 1 3 TYR HD2 H 2.844 1.021 5.374 . . . 1.0 . . . . . . . . . . . . A . 3 TYR HD2 . . . . . . . . . rr_2dx4 1 . 9 . 2417 . 1 1 3 TYR HE1 H 1.471 -0.486 9.908 . . . 1.0 . . . . . . . . . . . . A . 3 TYR HE1 . . . . . . . . . rr_2dx4 1 . 9 . 2418 . 1 1 3 TYR HE2 H 4.481 1.071 7.319 . . . 1.0 . . . . . . . . . . . . A . 3 TYR HE2 . . . . . . . . . rr_2dx4 1 . 9 . 2419 . 1 1 3 TYR HH H 3.719 1.105 10.313 . . . 1.0 . . . . . . . . . . . . A . 3 TYR HH . . . . . . . . . rr_2dx4 1 . 9 . 2420 . 1 1 3 TYR N N 1.336 -1.882 5.014 . . . 1.0 . . . . . . . . . . . . A . 3 TYR N . . . . . . . . . rr_2dx4 1 . 9 . 2421 . 1 1 3 TYR O O -0.274 0.127 2.763 . . . 1.0 . . . . . . . . . . . . A . 3 TYR O . . . . . . . . . rr_2dx4 1 . 9 . 2422 . 1 1 3 TYR OH O 3.914 0.322 9.721 . . . 1.0 . . . . . . . . . . . . A . 3 TYR OH . . . . . . . . . rr_2dx4 1 . 9 . 2423 . 1 1 4 TRP C C -1.450 -1.110 0.793 . . . 1.0 . . . . . . . . . . . . A . 4 TRP C . . . . . . . . . rr_2dx4 1 . 9 . 2424 . 1 1 4 TRP CA C -0.329 -2.103 1.105 . . . 1.0 . . . . . . . . . . . . A . 4 TRP CA . . . . . . . . . rr_2dx4 1 . 9 . 2425 . 1 1 4 TRP CB C -0.612 -3.510 0.574 . . . 1.0 . . . . . . . . . . . . A . 4 TRP CB . . . . . . . . . rr_2dx4 1 . 9 . 2426 . 1 1 4 TRP CD1 C 0.150 -2.772 -1.779 . . . 1.0 . . . . . . . . . . . . A . 4 TRP CD1 . . . . . . . . . rr_2dx4 1 . 9 . 2427 . 1 1 4 TRP CD2 C -0.335 -4.930 -1.654 . . . 1.0 . . . . . . . . . . . . A . 4 TRP CD2 . . . . . . . . . rr_2dx4 1 . 9 . 2428 . 1 1 4 TRP CE2 C 0.055 -4.669 -2.951 . . . 1.0 . . . . . . . . . . . . A . 4 TRP CE2 . . . . . . . . . rr_2dx4 1 . 9 . 2429 . 1 1 4 TRP CE3 C -0.711 -6.222 -1.247 . . . 1.0 . . . . . . . . . . . . A . 4 TRP CE3 . . . . . . . . . rr_2dx4 1 . 9 . 2430 . 1 1 4 TRP CG C -0.270 -3.697 -0.906 . . . 1.0 . . . . . . . . . . . . A . 4 TRP CG . . . . . . . . . rr_2dx4 1 . 9 . 2431 . 1 1 4 TRP CH2 C -0.264 -6.946 -3.566 . . . 1.0 . . . . . . . . . . . . A . 4 TRP CH2 . . . . . . . . . rr_2dx4 1 . 9 . 2432 . 1 1 4 TRP CZ2 C 0.106 -5.651 -3.948 . . . 1.0 . . . . . . . . . . . . A . 4 TRP CZ2 . . . . . . . . . rr_2dx4 1 . 9 . 2433 . 1 1 4 TRP CZ3 C -0.655 -7.192 -2.255 . . . 1.0 . . . . . . . . . . . . A . 4 TRP CZ3 . . . . . . . . . rr_2dx4 1 . 9 . 2434 . 1 1 4 TRP H H -0.008 -3.028 2.943 . . . 1.0 . . . . . . . . . . . . A . 4 TRP H . . . . . . . . . rr_2dx4 1 . 9 . 2435 . 1 1 4 TRP HA H 0.601 -1.771 0.644 . . . 1.0 . . . . . . . . . . . . A . 4 TRP HA . . . . . . . . . rr_2dx4 1 . 9 . 2436 . 1 1 4 TRP HB2 H -0.044 -4.230 1.162 . . . 1.0 . . . . . . . . . . . . A . 4 TRP HB2 . . . . . . . . . rr_2dx4 1 . 9 . 2437 . 1 1 4 TRP HB3 H -1.668 -3.738 0.724 . . . 1.0 . . . . . . . . . . . . A . 4 TRP HB3 . . . . . . . . . rr_2dx4 1 . 9 . 2438 . 1 1 4 TRP HD1 H 0.307 -1.722 -1.532 . . . 1.0 . . . . . . . . . . . . A . 4 TRP HD1 . . . . . . . . . rr_2dx4 1 . 9 . 2439 . 1 1 4 TRP HE1 H 0.701 -2.781 -3.917 . . . 1.0 . . . . . . . . . . . . A . 4 TRP HE1 . . . . . . . . . rr_2dx4 1 . 9 . 2440 . 1 1 4 TRP HE3 H -1.023 -6.453 -0.229 . . . 1.0 . . . . . . . . . . . . A . 4 TRP HE3 . . . . . . . . . rr_2dx4 1 . 9 . 2441 . 1 1 4 TRP HH2 H -0.247 -7.757 -4.294 . . . 1.0 . . . . . . . . . . . . A . 4 TRP HH2 . . . . . . . . . rr_2dx4 1 . 9 . 2442 . 1 1 4 TRP HZ2 H 0.418 -5.420 -4.967 . . . 1.0 . . . . . . . . . . . . A . 4 TRP HZ2 . . . . . . . . . rr_2dx4 1 . 9 . 2443 . 1 1 4 TRP HZ3 H -0.936 -8.212 -1.993 . . . 1.0 . . . . . . . . . . . . A . 4 TRP HZ3 . . . . . . . . . rr_2dx4 1 . 9 . 2444 . 1 1 4 TRP N N -0.132 -2.120 2.544 . . . 1.0 . . . . . . . . . . . . A . 4 TRP N . . . . . . . . . rr_2dx4 1 . 9 . 2445 . 1 1 4 TRP NE1 N 0.360 -3.315 -3.030 . . . 1.0 . . . . . . . . . . . . A . 4 TRP NE1 . . . . . . . . . rr_2dx4 1 . 9 . 2446 . 1 1 4 TRP O O -1.190 0.003 0.338 . . . 1.0 . . . . . . . . . . . . A . 4 TRP O . . . . . . . . . rr_2dx4 1 . 9 . 2447 . 1 1 5 LEU C C -3.933 -0.411 -0.695 . . . 1.0 . . . . . . . . . . . . A . 5 LEU C . . . . . . . . . rr_2dx4 1 . 9 . 2448 . 1 1 5 LEU CA C -3.836 -0.711 0.802 . . . 1.0 . . . . . . . . . . . . A . 5 LEU CA . . . . . . . . . rr_2dx4 1 . 9 . 2449 . 1 1 5 LEU CB C -3.790 0.543 1.679 . . . 1.0 . . . . . . . . . . . . A . 5 LEU CB . . . . . . . . . rr_2dx4 1 . 9 . 2450 . 1 1 5 LEU CD1 C -4.080 2.505 0.122 . . . 1.0 . . . . . . . . . . . . A . 5 LEU CD1 . . . . . . . . . rr_2dx4 1 . 9 . 2451 . 1 1 5 LEU CD2 C -6.099 1.174 0.886 . . . 1.0 . . . . . . . . . . . . A . 5 LEU CD2 . . . . . . . . . rr_2dx4 1 . 9 . 2452 . 1 1 5 LEU CG C -4.708 1.691 1.255 . . . 1.0 . . . . . . . . . . . . A . 5 LEU CG . . . . . . . . . rr_2dx4 1 . 9 . 2453 . 1 1 5 LEU H H -2.877 -2.454 1.420 . . . 1.0 . . . . . . . . . . . . A . 5 LEU H . . . . . . . . . rr_2dx4 1 . 9 . 2454 . 1 1 5 LEU HA H -4.717 -1.279 1.099 . . . 1.0 . . . . . . . . . . . . A . 5 LEU HA . . . . . . . . . rr_2dx4 1 . 9 . 2455 . 1 1 5 LEU HB2 H -4.045 0.258 2.699 . . . 1.0 . . . . . . . . . . . . A . 5 LEU HB2 . . . . . . . . . rr_2dx4 1 . 9 . 2456 . 1 1 5 LEU HB3 H -2.764 0.911 1.697 . . . 1.0 . . . . . . . . . . . . A . 5 LEU HB3 . . . . . . . . . rr_2dx4 1 . 9 . 2457 . 1 1 5 LEU HD11 H -3.164 2.018 -0.212 . . . 1.0 . . . . . . . . . . . . A . 5 LEU HD11 . . . . . . . . . rr_2dx4 1 . 9 . 2458 . 1 1 5 LEU HD12 H -4.781 2.570 -0.711 . . . 1.0 . . . . . . . . . . . . A . 5 LEU HD12 . . . . . . . . . rr_2dx4 1 . 9 . 2459 . 1 1 5 LEU HD13 H -3.848 3.508 0.480 . . . 1.0 . . . . . . . . . . . . A . 5 LEU HD13 . . . . . . . . . rr_2dx4 1 . 9 . 2460 . 1 1 5 LEU HD21 H -6.102 0.084 0.918 . . . 1.0 . . . . . . . . . . . . A . 5 LEU HD21 . . . . . . . . . rr_2dx4 1 . 9 . 2461 . 1 1 5 LEU HD22 H -6.831 1.559 1.596 . . . 1.0 . . . . . . . . . . . . A . 5 LEU HD22 . . . . . . . . . rr_2dx4 1 . 9 . 2462 . 1 1 5 LEU HD23 H -6.357 1.509 -0.119 . . . 1.0 . . . . . . . . . . . . A . 5 LEU HD23 . . . . . . . . . rr_2dx4 1 . 9 . 2463 . 1 1 5 LEU HG H -4.829 2.363 2.105 . . . 1.0 . . . . . . . . . . . . A . 5 LEU HG . . . . . . . . . rr_2dx4 1 . 9 . 2464 . 1 1 5 LEU N N -2.674 -1.548 1.050 . . . 1.0 . . . . . . . . . . . . A . 5 LEU N . . . . . . . . . rr_2dx4 1 . 9 . 2465 . 1 1 5 LEU O O -4.722 0.436 -1.112 . . . 1.0 . . . . . . . . . . . . A . 5 LEU O . . . . . . . . . rr_2dx4 1 . 9 . 2466 . 1 1 6 ALA C C -4.533 -0.708 -3.400 . . . 1.0 . . . . . . . . . . . . A . 6 ALA C . . . . . . . . . rr_2dx4 1 . 9 . 2467 . 1 1 6 ALA CA C -3.104 -0.942 -2.904 . . . 1.0 . . . . . . . . . . . . A . 6 ALA CA . . . . . . . . . rr_2dx4 1 . 9 . 2468 . 1 1 6 ALA CB C -2.450 -2.158 -3.563 . . . 1.0 . . . . . . . . . . . . A . 6 ALA CB . . . . . . . . . rr_2dx4 1 . 9 . 2469 . 1 1 6 ALA H H -2.481 -1.808 -1.115 . . . 1.0 . . . . . . . . . . . . A . 6 ALA H . . . . . . . . . rr_2dx4 1 . 9 . 2470 . 1 1 6 ALA HA H -2.504 -0.059 -3.122 . . . 1.0 . . . . . . . . . . . . A . 6 ALA HA . . . . . . . . . rr_2dx4 1 . 9 . 2471 . 1 1 6 ALA HB1 H -2.599 -3.036 -2.935 . . . 1.0 . . . . . . . . . . . . A . 6 ALA HB1 . . . . . . . . . rr_2dx4 1 . 9 . 2472 . 1 1 6 ALA HB2 H -2.903 -2.329 -4.540 . . . 1.0 . . . . . . . . . . . . A . 6 ALA HB2 . . . . . . . . . rr_2dx4 1 . 9 . 2473 . 1 1 6 ALA HB3 H -1.382 -1.975 -3.685 . . . 1.0 . . . . . . . . . . . . A . 6 ALA HB3 . . . . . . . . . rr_2dx4 1 . 9 . 2474 . 1 1 6 ALA N N -3.120 -1.121 -1.462 . . . 1.0 . . . . . . . . . . . . A . 6 ALA N . . . . . . . . . rr_2dx4 1 . 9 . 2475 . 1 1 6 ALA O O -5.328 -1.643 -3.477 . . . 1.0 . . . . . . . . . . . . A . 6 ALA O . . . . . . . . . rr_2dx4 1 . 9 . 2476 . 1 1 7 HIS C C -6.027 2.164 -5.086 . . . 1.0 . . . . . . . . . . . . A . 7 HIS C . . . . . . . . . rr_2dx4 1 . 9 . 2477 . 1 1 7 HIS CA C -6.134 0.914 -4.209 . . . 1.0 . . . . . . . . . . . . A . 7 HIS CA . . . . . . . . . rr_2dx4 1 . 9 . 2478 . 1 1 7 HIS CB C -7.113 1.088 -3.046 . . . 1.0 . . . . . . . . . . . . A . 7 HIS CB . . . . . . . . . rr_2dx4 1 . 9 . 2479 . 1 1 7 HIS CD2 C -7.126 3.560 -2.198 . . . 1.0 . . . . . . . . . . . . A . 7 HIS CD2 . . . . . . . . . rr_2dx4 1 . 9 . 2480 . 1 1 7 HIS CE1 C -8.988 4.205 -3.149 . . . 1.0 . . . . . . . . . . . . A . 7 HIS CE1 . . . . . . . . . rr_2dx4 1 . 9 . 2481 . 1 1 7 HIS CG C -7.632 2.496 -2.886 . . . 1.0 . . . . . . . . . . . . A . 7 HIS CG . . . . . . . . . rr_2dx4 1 . 9 . 2482 . 1 1 7 HIS H H -4.163 1.300 -3.657 . . . 1.0 . . . . . . . . . . . . A . 7 HIS H . . . . . . . . . rr_2dx4 1 . 9 . 2483 . 1 1 7 HIS HA H -6.486 0.082 -4.819 . . . 1.0 . . . . . . . . . . . . A . 7 HIS HA . . . . . . . . . rr_2dx4 1 . 9 . 2484 . 1 1 7 HIS HB2 H -7.957 0.414 -3.192 . . . 1.0 . . . . . . . . . . . . A . 7 HIS HB2 . . . . . . . . . rr_2dx4 1 . 9 . 2485 . 1 1 7 HIS HB3 H -6.620 0.785 -2.122 . . . 1.0 . . . . . . . . . . . . A . 7 HIS HB3 . . . . . . . . . rr_2dx4 1 . 9 . 2486 . 1 1 7 HIS HD1 H -9.414 2.384 -4.047 . . . 1.0 . . . . . . . . . . . . A . 7 HIS HD1 . . . . . . . . . rr_2dx4 1 . 9 . 2487 . 1 1 7 HIS HD2 H -6.205 3.562 -1.615 . . . 1.0 . . . . . . . . . . . . A . 7 HIS HD2 . . . . . . . . . rr_2dx4 1 . 9 . 2488 . 1 1 7 HIS HE1 H -9.824 4.832 -3.458 . . . 1.0 . . . . . . . . . . . . A . 7 HIS HE1 . . . . . . . . . rr_2dx4 1 . 9 . 2489 . 1 1 7 HIS HE2 H -7.850 5.484 -1.918 . . . 1.0 . . . . . . . . . . . . A . 7 HIS HE2 . . . . . . . . . rr_2dx4 1 . 9 . 2490 . 1 1 7 HIS N N -4.815 0.545 -3.723 . . . 1.0 . . . . . . . . . . . . A . 7 HIS N . . . . . . . . . rr_2dx4 1 . 9 . 2491 . 1 1 7 HIS ND1 N -8.806 2.934 -3.474 . . . 1.0 . . . . . . . . . . . . A . 7 HIS ND1 . . . . . . . . . rr_2dx4 1 . 9 . 2492 . 1 1 7 HIS NE2 N -7.946 4.591 -2.358 . . . 1.0 . . . . . . . . . . . . A . 7 HIS NE2 . . . . . . . . . rr_2dx4 1 . 9 . 2493 . 1 1 7 HIS O O -6.358 2.126 -6.270 . . . 1.0 . . . . . . . . . . . . A . 7 HIS O . . . . . . . . . rr_2dx4 1 . 9 . 2494 . 1 1 8 ALA C C -4.781 5.534 -4.242 . . . 1.0 . . . . . . . . . . . . A . 8 ALA C . . . . . . . . . rr_2dx4 1 . 9 . 2495 . 1 1 8 ALA CA C -5.408 4.500 -5.179 . . . 1.0 . . . . . . . . . . . . A . 8 ALA CA . . . . . . . . . rr_2dx4 1 . 9 . 2496 . 1 1 8 ALA CB C -6.766 4.951 -5.721 . . . 1.0 . . . . . . . . . . . . A . 8 ALA CB . . . . . . . . . rr_2dx4 1 . 9 . 2497 . 1 1 8 ALA H H -5.296 3.263 -3.507 . . . 1.0 . . . . . . . . . . . . A . 8 ALA H . . . . . . . . . rr_2dx4 1 . 9 . 2498 . 1 1 8 ALA HA H -4.735 4.327 -6.019 . . . 1.0 . . . . . . . . . . . . A . 8 ALA HA . . . . . . . . . rr_2dx4 1 . 9 . 2499 . 1 1 8 ALA HB1 H -6.688 5.973 -6.094 . . . 1.0 . . . . . . . . . . . . A . 8 ALA HB1 . . . . . . . . . rr_2dx4 1 . 9 . 2500 . 1 1 8 ALA HB2 H -7.072 4.291 -6.532 . . . 1.0 . . . . . . . . . . . . A . 8 ALA HB2 . . . . . . . . . rr_2dx4 1 . 9 . 2501 . 1 1 8 ALA HB3 H -7.507 4.912 -4.922 . . . 1.0 . . . . . . . . . . . . A . 8 ALA HB3 . . . . . . . . . rr_2dx4 1 . 9 . 2502 . 1 1 8 ALA N N -5.563 3.241 -4.470 . . . 1.0 . . . . . . . . . . . . A . 8 ALA N . . . . . . . . . rr_2dx4 1 . 9 . 2503 . 1 1 8 ALA O O -3.565 5.721 -4.243 . . . 1.0 . . . . . . . . . . . . A . 8 ALA O . . . . . . . . . rr_2dx4 1 . 9 . 2504 . 1 1 9 LYS C C -4.077 8.023 -3.176 . . . 1.0 . . . . . . . . . . . . A . 9 LYS C . . . . . . . . . rr_2dx4 1 . 9 . 2505 . 1 1 9 LYS CA C -5.184 7.190 -2.526 . . . 1.0 . . . . . . . . . . . . A . 9 LYS CA . . . . . . . . . rr_2dx4 1 . 9 . 2506 . 1 1 9 LYS CB C -4.772 6.544 -1.202 . . . 1.0 . . . . . . . . . . . . A . 9 LYS CB . . . . . . . . . rr_2dx4 1 . 9 . 2507 . 1 1 9 LYS CD C -4.342 8.696 0.040 . . . 1.0 . . . . . . . . . . . . A . 9 LYS CD . . . . . . . . . rr_2dx4 1 . 9 . 2508 . 1 1 9 LYS CE C -5.040 9.842 -0.694 . . . 1.0 . . . . . . . . . . . . A . 9 LYS CE . . . . . . . . . rr_2dx4 1 . 9 . 2509 . 1 1 9 LYS CG C -5.181 7.418 -0.015 . . . 1.0 . . . . . . . . . . . . A . 9 LYS CG . . . . . . . . . rr_2dx4 1 . 9 . 2510 . 1 1 9 LYS H H -6.626 6.022 -3.471 . . . 1.0 . . . . . . . . . . . . A . 9 LYS H . . . . . . . . . rr_2dx4 1 . 9 . 2511 . 1 1 9 LYS HA H -6.030 7.845 -2.315 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HA . . . . . . . . . rr_2dx4 1 . 9 . 2512 . 1 1 9 LYS HB2 H -5.235 5.562 -1.112 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HB2 . . . . . . . . . rr_2dx4 1 . 9 . 2513 . 1 1 9 LYS HB3 H -3.693 6.389 -1.190 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HB3 . . . . . . . . . rr_2dx4 1 . 9 . 2514 . 1 1 9 LYS HD2 H -4.168 8.977 1.079 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HD2 . . . . . . . . . rr_2dx4 1 . 9 . 2515 . 1 1 9 LYS HD3 H -3.365 8.514 -0.408 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HD3 . . . . . . . . . rr_2dx4 1 . 9 . 2516 . 1 1 9 LYS HE2 H -4.393 10.719 -0.711 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HE2 . . . . . . . . . rr_2dx4 1 . 9 . 2517 . 1 1 9 LYS HE3 H -5.222 9.560 -1.731 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HE3 . . . . . . . . . rr_2dx4 1 . 9 . 2518 . 1 1 9 LYS HG2 H -6.237 7.675 -0.095 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HG2 . . . . . . . . . rr_2dx4 1 . 9 . 2519 . 1 1 9 LYS HG3 H -5.058 6.858 0.913 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HG3 . . . . . . . . . rr_2dx4 1 . 9 . 2520 . 1 1 9 LYS HZ1 H -6.559 9.455 0.618 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HZ1 . . . . . . . . . rr_2dx4 1 . 9 . 2521 . 1 1 9 LYS HZ2 H -6.228 11.046 0.454 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HZ2 . . . . . . . . . rr_2dx4 1 . 9 . 2522 . 1 1 9 LYS HZ3 H -7.042 10.256 -0.721 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HZ3 . . . . . . . . . rr_2dx4 1 . 9 . 2523 . 1 1 9 LYS N N -5.639 6.180 -3.466 . . . 1.0 . . . . . . . . . . . . A . 9 LYS N . . . . . . . . . rr_2dx4 1 . 9 . 2524 . 1 1 9 LYS NZ N -6.321 10.177 -0.032 . . . 1.0 . . . . . . . . . . . . A . 9 LYS NZ . . . . . . . . . rr_2dx4 1 . 9 . 2525 . 1 1 9 LYS O O -3.044 8.277 -2.558 . . . 1.0 . . . . . . . . . . . . A . 9 LYS O . . . . . . . . . rr_2dx4 1 . 9 . 2526 . 1 1 10 ALA C C -2.377 8.293 -5.860 . . . 1.0 . . . . . . . . . . . . A . 10 ALA C . . . . . . . . . rr_2dx4 1 . 9 . 2527 . 1 1 10 ALA CA C -3.367 9.221 -5.153 . . . 1.0 . . . . . . . . . . . . A . 10 ALA CA . . . . . . . . . rr_2dx4 1 . 9 . 2528 . 1 1 10 ALA CB C -2.673 10.197 -4.200 . . . 1.0 . . . . . . . . . . . . A . 10 ALA CB . . . . . . . . . rr_2dx4 1 . 9 . 2529 . 1 1 10 ALA H H -5.172 8.211 -4.908 . . . 1.0 . . . . . . . . . . . . A . 10 ALA H . . . . . . . . . rr_2dx4 1 . 9 . 2530 . 1 1 10 ALA HA H -3.915 9.793 -5.902 . . . 1.0 . . . . . . . . . . . . A . 10 ALA HA . . . . . . . . . rr_2dx4 1 . 9 . 2531 . 1 1 10 ALA HB1 H -2.344 11.075 -4.755 . . . 1.0 . . . . . . . . . . . . A . 10 ALA HB1 . . . . . . . . . rr_2dx4 1 . 9 . 2532 . 1 1 10 ALA HB2 H -3.371 10.501 -3.420 . . . 1.0 . . . . . . . . . . . . A . 10 ALA HB2 . . . . . . . . . rr_2dx4 1 . 9 . 2533 . 1 1 10 ALA HB3 H -1.810 9.709 -3.746 . . . 1.0 . . . . . . . . . . . . A . 10 ALA HB3 . . . . . . . . . rr_2dx4 1 . 9 . 2534 . 1 1 10 ALA N N -4.330 8.423 -4.413 . . . 1.0 . . . . . . . . . . . . A . 10 ALA N . . . . . . . . . rr_2dx4 1 . 9 . 2535 . 1 1 10 ALA O O -2.083 8.477 -7.040 . . . 1.0 . . . . . . . . . . . . A . 10 ALA O . . . . . . . . . rr_2dx4 1 . 9 . 2536 . 1 1 11 GLY C C -0.352 5.485 -4.539 . . . 1.0 . . . . . . . . . . . . A . 11 GLY C . . . . . . . . . rr_2dx4 1 . 9 . 2537 . 1 1 11 GLY CA C -0.941 6.358 -5.648 . . . 1.0 . . . . . . . . . . . . A . 11 GLY CA . . . . . . . . . rr_2dx4 1 . 9 . 2538 . 1 1 11 GLY H H -2.137 7.173 -4.149 . . . 1.0 . . . . . . . . . . . . A . 11 GLY H . . . . . . . . . rr_2dx4 1 . 9 . 2539 . 1 1 11 GLY HA2 H -1.435 5.728 -6.388 . . . 1.0 . . . . . . . . . . . . A . 11 GLY HA2 . . . . . . . . . rr_2dx4 1 . 9 . 2540 . 1 1 11 GLY HA3 H -0.140 6.887 -6.164 . . . 1.0 . . . . . . . . . . . . A . 11 GLY HA3 . . . . . . . . . rr_2dx4 1 . 9 . 2541 . 1 1 11 GLY N N -1.892 7.316 -5.108 . . . 1.0 . . . . . . . . . . . . A . 11 GLY N . . . . . . . . . rr_2dx4 1 . 9 . 2542 . 1 1 11 GLY O O 0.825 5.131 -4.582 . . . 1.0 . . . . . . . . . . . . A . 11 GLY O . . . . . . . . . rr_2dx4 1 . 9 . 2543 . 1 1 12 TYR C C -0.322 2.958 -2.928 . . . 1.0 . . . . . . . . . . . . A . 12 TYR C . . . . . . . . . rr_2dx4 1 . 9 . 2544 . 1 1 12 TYR CA C -0.775 4.339 -2.451 . . . 1.0 . . . . . . . . . . . . A . 12 TYR CA . . . . . . . . . rr_2dx4 1 . 9 . 2545 . 1 1 12 TYR CB C -2.006 4.179 -1.557 . . . 1.0 . . . . . . . . . . . . A . 12 TYR CB . . . . . . . . . rr_2dx4 1 . 9 . 2546 . 1 1 12 TYR CD1 C -1.348 3.235 0.686 . . . 1.0 . . . . . . . . . . . . A . 12 TYR CD1 . . . . . . . . . rr_2dx4 1 . 9 . 2547 . 1 1 12 TYR CD2 C -1.819 5.574 0.534 . . . 1.0 . . . . . . . . . . . . A . 12 TYR CD2 . . . . . . . . . rr_2dx4 1 . 9 . 2548 . 1 1 12 TYR CE1 C -1.074 3.382 2.092 . . . 1.0 . . . . . . . . . . . . A . 12 TYR CE1 . . . . . . . . . rr_2dx4 1 . 9 . 2549 . 1 1 12 TYR CE2 C -1.545 5.721 1.940 . . . 1.0 . . . . . . . . . . . . A . 12 TYR CE2 . . . . . . . . . rr_2dx4 1 . 9 . 2550 . 1 1 12 TYR CG C -1.715 4.335 -0.063 . . . 1.0 . . . . . . . . . . . . A . 12 TYR CG . . . . . . . . . rr_2dx4 1 . 9 . 2551 . 1 1 12 TYR CZ C -1.186 4.617 2.650 . . . 1.0 . . . . . . . . . . . . A . 12 TYR CZ . . . . . . . . . rr_2dx4 1 . 9 . 2552 . 1 1 12 TYR H H -2.153 5.456 -3.543 . . . 1.0 . . . . . . . . . . . . A . 12 TYR H . . . . . . . . . rr_2dx4 1 . 9 . 2553 . 1 1 12 TYR HA H 0.062 4.838 -1.962 . . . 1.0 . . . . . . . . . . . . A . 12 TYR HA . . . . . . . . . rr_2dx4 1 . 9 . 2554 . 1 1 12 TYR HB2 H -2.754 4.916 -1.850 . . . 1.0 . . . . . . . . . . . . A . 12 TYR HB2 . . . . . . . . . rr_2dx4 1 . 9 . 2555 . 1 1 12 TYR HB3 H -2.443 3.195 -1.731 . . . 1.0 . . . . . . . . . . . . A . 12 TYR HB3 . . . . . . . . . rr_2dx4 1 . 9 . 2556 . 1 1 12 TYR HD1 H -1.266 2.256 0.214 . . . 1.0 . . . . . . . . . . . . A . 12 TYR HD1 . . . . . . . . . rr_2dx4 1 . 9 . 2557 . 1 1 12 TYR HD2 H -2.109 6.442 -0.058 . . . 1.0 . . . . . . . . . . . . A . 12 TYR HD2 . . . . . . . . . rr_2dx4 1 . 9 . 2558 . 1 1 12 TYR HE1 H -0.783 2.522 2.696 . . . 1.0 . . . . . . . . . . . . A . 12 TYR HE1 . . . . . . . . . rr_2dx4 1 . 9 . 2559 . 1 1 12 TYR HE2 H -1.623 6.694 2.425 . . . 1.0 . . . . . . . . . . . . A . 12 TYR HE2 . . . . . . . . . rr_2dx4 1 . 9 . 2560 . 1 1 12 TYR HH H 0.056 4.679 4.144 . . . 1.0 . . . . . . . . . . . . A . 12 TYR HH . . . . . . . . . rr_2dx4 1 . 9 . 2561 . 1 1 12 TYR N N -1.197 5.164 -3.571 . . . 1.0 . . . . . . . . . . . . A . 12 TYR N . . . . . . . . . rr_2dx4 1 . 9 . 2562 . 1 1 12 TYR O O 0.335 2.226 -2.189 . . . 1.0 . . . . . . . . . . . . A . 12 TYR O . . . . . . . . . rr_2dx4 1 . 9 . 2563 . 1 1 12 TYR OH O -0.927 4.756 3.978 . . . 1.0 . . . . . . . . . . . . A . 12 TYR OH . . . . . . . . . rr_2dx4 1 . 9 . 2564 . 1 1 13 ILE C C 1.173 1.138 -4.586 . . . 1.0 . . . . . . . . . . . . A . 13 ILE C . . . . . . . . . rr_2dx4 1 . 9 . 2565 . 1 1 13 ILE CA C -0.332 1.361 -4.745 . . . 1.0 . . . . . . . . . . . . A . 13 ILE CA . . . . . . . . . rr_2dx4 1 . 9 . 2566 . 1 1 13 ILE CB C -0.816 1.279 -6.194 . . . 1.0 . . . . . . . . . . . . A . 13 ILE CB . . . . . . . . . rr_2dx4 1 . 9 . 2567 . 1 1 13 ILE CD1 C 0.988 -0.322 -6.930 . . . 1.0 . . . . . . . . . . . . A . 13 ILE CD1 . . . . . . . . . rr_2dx4 1 . 9 . 2568 . 1 1 13 ILE CG1 C -0.519 -0.097 -6.794 . . . 1.0 . . . . . . . . . . . . A . 13 ILE CG1 . . . . . . . . . rr_2dx4 1 . 9 . 2569 . 1 1 13 ILE CG2 C -0.224 2.411 -7.036 . . . 1.0 . . . . . . . . . . . . A . 13 ILE CG2 . . . . . . . . . rr_2dx4 1 . 9 . 2570 . 1 1 13 ILE H H -1.227 3.243 -4.756 . . . 1.0 . . . . . . . . . . . . A . 13 ILE H . . . . . . . . . rr_2dx4 1 . 9 . 2571 . 1 1 13 ILE HA H -0.858 0.588 -4.186 . . . 1.0 . . . . . . . . . . . . A . 13 ILE HA . . . . . . . . . rr_2dx4 1 . 9 . 2572 . 1 1 13 ILE HB H -1.899 1.405 -6.201 . . . 1.0 . . . . . . . . . . . . A . 13 ILE HB . . . . . . . . . rr_2dx4 1 . 9 . 2573 . 1 1 13 ILE HD11 H 1.375 -0.757 -6.009 . . . 1.0 . . . . . . . . . . . . A . 13 ILE HD11 . . . . . . . . . rr_2dx4 1 . 9 . 2574 . 1 1 13 ILE HD12 H 1.181 -1.000 -7.761 . . . 1.0 . . . . . . . . . . . . A . 13 ILE HD12 . . . . . . . . . rr_2dx4 1 . 9 . 2575 . 1 1 13 ILE HD13 H 1.482 0.632 -7.118 . . . 1.0 . . . . . . . . . . . . A . 13 ILE HD13 . . . . . . . . . rr_2dx4 1 . 9 . 2576 . 1 1 13 ILE HG12 H -0.951 -0.874 -6.163 . . . 1.0 . . . . . . . . . . . . A . 13 ILE HG12 . . . . . . . . . rr_2dx4 1 . 9 . 2577 . 1 1 13 ILE HG13 H -0.992 -0.181 -7.772 . . . 1.0 . . . . . . . . . . . . A . 13 ILE HG13 . . . . . . . . . rr_2dx4 1 . 9 . 2578 . 1 1 13 ILE HG21 H -1.020 3.090 -7.342 . . . 1.0 . . . . . . . . . . . . A . 13 ILE HG21 . . . . . . . . . rr_2dx4 1 . 9 . 2579 . 1 1 13 ILE HG22 H 0.511 2.957 -6.445 . . . 1.0 . . . . . . . . . . . . A . 13 ILE HG22 . . . . . . . . . rr_2dx4 1 . 9 . 2580 . 1 1 13 ILE HG23 H 0.257 1.993 -7.920 . . . 1.0 . . . . . . . . . . . . A . 13 ILE HG23 . . . . . . . . . rr_2dx4 1 . 9 . 2581 . 1 1 13 ILE N N -0.692 2.642 -4.161 . . . 1.0 . . . . . . . . . . . . A . 13 ILE N . . . . . . . . . rr_2dx4 1 . 9 . 2582 . 1 1 13 ILE O O 1.972 1.737 -5.303 . . . 1.0 . . . . . . . . . . . . A . 13 ILE O . . . . . . . . . rr_2dx4 1 . 9 . 2583 . 1 1 14 VAL C C 3.135 -1.540 -3.557 . . . 1.0 . . . . . . . . . . . . A . 14 VAL C . . . . . . . . . rr_2dx4 1 . 9 . 2584 . 1 1 14 VAL CA C 2.909 -0.037 -3.379 . . . 1.0 . . . . . . . . . . . . A . 14 VAL CA . . . . . . . . . rr_2dx4 1 . 9 . 2585 . 1 1 14 VAL CB C 3.304 0.467 -1.990 . . . 1.0 . . . . . . . . . . . . A . 14 VAL CB . . . . . . . . . rr_2dx4 1 . 9 . 2586 . 1 1 14 VAL CG1 C 3.094 -0.619 -0.933 . . . 1.0 . . . . . . . . . . . . A . 14 VAL CG1 . . . . . . . . . rr_2dx4 1 . 9 . 2587 . 1 1 14 VAL CG2 C 4.749 0.969 -1.980 . . . 1.0 . . . . . . . . . . . . A . 14 VAL CG2 . . . . . . . . . rr_2dx4 1 . 9 . 2588 . 1 1 14 VAL H H 0.857 -0.210 -3.063 . . . 1.0 . . . . . . . . . . . . A . 14 VAL H . . . . . . . . . rr_2dx4 1 . 9 . 2589 . 1 1 14 VAL HA H 3.509 0.498 -4.116 . . . 1.0 . . . . . . . . . . . . A . 14 VAL HA . . . . . . . . . rr_2dx4 1 . 9 . 2590 . 1 1 14 VAL HB H 2.656 1.307 -1.741 . . . 1.0 . . . . . . . . . . . . A . 14 VAL HB . . . . . . . . . rr_2dx4 1 . 9 . 2591 . 1 1 14 VAL HG11 H 4.046 -1.104 -0.715 . . . 1.0 . . . . . . . . . . . . A . 14 VAL HG11 . . . . . . . . . rr_2dx4 1 . 9 . 2592 . 1 1 14 VAL HG12 H 2.699 -0.168 -0.022 . . . 1.0 . . . . . . . . . . . . A . 14 VAL HG12 . . . . . . . . . rr_2dx4 1 . 9 . 2593 . 1 1 14 VAL HG13 H 2.387 -1.359 -1.308 . . . 1.0 . . . . . . . . . . . . A . 14 VAL HG13 . . . . . . . . . rr_2dx4 1 . 9 . 2594 . 1 1 14 VAL HG21 H 4.820 1.859 -1.355 . . . 1.0 . . . . . . . . . . . . A . 14 VAL HG21 . . . . . . . . . rr_2dx4 1 . 9 . 2595 . 1 1 14 VAL HG22 H 5.401 0.192 -1.580 . . . 1.0 . . . . . . . . . . . . A . 14 VAL HG22 . . . . . . . . . rr_2dx4 1 . 9 . 2596 . 1 1 14 VAL HG23 H 5.056 1.214 -2.997 . . . 1.0 . . . . . . . . . . . . A . 14 VAL HG23 . . . . . . . . . rr_2dx4 1 . 9 . 2597 . 1 1 14 VAL N N 1.514 0.273 -3.642 . . . 1.0 . . . . . . . . . . . . A . 14 VAL N . . . . . . . . . rr_2dx4 1 . 9 . 2598 . 1 1 14 VAL O O 2.344 -2.217 -4.213 . . . 1.0 . . . . . . . . . . . . A . 14 VAL O . . . . . . . . . rr_2dx4 1 . 9 . 2599 . 1 1 15 HIS C C 5.534 -3.788 -1.925 . . . 1.0 . . . . . . . . . . . . A . 15 HIS C . . . . . . . . . rr_2dx4 1 . 9 . 2600 . 1 1 15 HIS CA C 4.557 -3.428 -3.046 . . . 1.0 . . . . . . . . . . . . A . 15 HIS CA . . . . . . . . . rr_2dx4 1 . 9 . 2601 . 1 1 15 HIS CB C 5.095 -3.775 -4.436 . . . 1.0 . . . . . . . . . . . . A . 15 HIS CB . . . . . . . . . rr_2dx4 1 . 9 . 2602 . 1 1 15 HIS CD2 C 2.796 -4.328 -5.549 . . . 1.0 . . . . . . . . . . . . A . 15 HIS CD2 . . . . . . . . . rr_2dx4 1 . 9 . 2603 . 1 1 15 HIS CE1 C 3.133 -3.336 -7.469 . . . 1.0 . . . . . . . . . . . . A . 15 HIS CE1 . . . . . . . . . rr_2dx4 1 . 9 . 2604 . 1 1 15 HIS CG C 4.043 -3.777 -5.519 . . . 1.0 . . . . . . . . . . . . A . 15 HIS CG . . . . . . . . . rr_2dx4 1 . 9 . 2605 . 1 1 15 HIS H H 4.855 -1.460 -2.430 . . . 1.0 . . . . . . . . . . . . A . 15 HIS H . . . . . . . . . rr_2dx4 1 . 9 . 2606 . 1 1 15 HIS HA H 3.630 -3.982 -2.900 . . . 1.0 . . . . . . . . . . . . A . 15 HIS HA . . . . . . . . . rr_2dx4 1 . 9 . 2607 . 1 1 15 HIS HB2 H 5.874 -3.060 -4.701 . . . 1.0 . . . . . . . . . . . . A . 15 HIS HB2 . . . . . . . . . rr_2dx4 1 . 9 . 2608 . 1 1 15 HIS HB3 H 5.565 -4.758 -4.397 . . . 1.0 . . . . . . . . . . . . A . 15 HIS HB3 . . . . . . . . . rr_2dx4 1 . 9 . 2609 . 1 1 15 HIS HD1 H 5.046 -2.663 -7.031 . . . 1.0 . . . . . . . . . . . . A . 15 HIS HD1 . . . . . . . . . rr_2dx4 1 . 9 . 2610 . 1 1 15 HIS HD2 H 2.329 -4.893 -4.741 . . . 1.0 . . . . . . . . . . . . A . 15 HIS HD2 . . . . . . . . . rr_2dx4 1 . 9 . 2611 . 1 1 15 HIS HE1 H 2.969 -2.967 -8.482 . . . 1.0 . . . . . . . . . . . . A . 15 HIS HE1 . . . . . . . . . rr_2dx4 1 . 9 . 2612 . 1 1 15 HIS HE2 H 1.357 -4.391 -7.042 . . . 1.0 . . . . . . . . . . . . A . 15 HIS HE2 . . . . . . . . . rr_2dx4 1 . 9 . 2613 . 1 1 15 HIS N N 4.217 -2.018 -2.961 . . . 1.0 . . . . . . . . . . . . A . 15 HIS N . . . . . . . . . rr_2dx4 1 . 9 . 2614 . 1 1 15 HIS ND1 N 4.227 -3.159 -6.743 . . . 1.0 . . . . . . . . . . . . A . 15 HIS ND1 . . . . . . . . . rr_2dx4 1 . 9 . 2615 . 1 1 15 HIS NE2 N 2.247 -4.060 -6.727 . . . 1.0 . . . . . . . . . . . . A . 15 HIS NE2 . . . . . . . . . rr_2dx4 1 . 9 . 2616 . 1 1 15 HIS O O 6.636 -4.267 -2.187 . . . 1.0 . . . . . . . . . . . . A . 15 HIS O . . . . . . . . . rr_2dx4 1 . 9 . 2617 . 1 1 16 TRP C C 5.834 -5.341 0.733 . . . 1.0 . . . . . . . . . . . . A . 16 TRP C . . . . . . . . . rr_2dx4 1 . 9 . 2618 . 1 1 16 TRP CA C 5.916 -3.837 0.463 . . . 1.0 . . . . . . . . . . . . A . 16 TRP CA . . . . . . . . . rr_2dx4 1 . 9 . 2619 . 1 1 16 TRP CB C 5.490 -2.989 1.663 . . . 1.0 . . . . . . . . . . . . A . 16 TRP CB . . . . . . . . . rr_2dx4 1 . 9 . 2620 . 1 1 16 TRP CD1 C 4.371 -0.666 1.573 . . . 1.0 . . . . . . . . . . . . A . 16 TRP CD1 . . . . . . . . . rr_2dx4 1 . 9 . 2621 . 1 1 16 TRP CD2 C 6.449 -0.666 0.804 . . . 1.0 . . . . . . . . . . . . A . 16 TRP CD2 . . . . . . . . . rr_2dx4 1 . 9 . 2622 . 1 1 16 TRP CE2 C 5.971 0.624 0.701 . . . 1.0 . . . . . . . . . . . . A . 16 TRP CE2 . . . . . . . . . rr_2dx4 1 . 9 . 2623 . 1 1 16 TRP CE3 C 7.752 -1.000 0.394 . . . 1.0 . . . . . . . . . . . . A . 16 TRP CE3 . . . . . . . . . rr_2dx4 1 . 9 . 2624 . 1 1 16 TRP CG C 5.407 -1.490 1.369 . . . 1.0 . . . . . . . . . . . . A . 16 TRP CG . . . . . . . . . rr_2dx4 1 . 9 . 2625 . 1 1 16 TRP CH2 C 8.031 1.375 -0.225 . . . 1.0 . . . . . . . . . . . . A . 16 TRP CH2 . . . . . . . . . rr_2dx4 1 . 9 . 2626 . 1 1 16 TRP CZ2 C 6.730 1.684 0.190 . . . 1.0 . . . . . . . . . . . . A . 16 TRP CZ2 . . . . . . . . . rr_2dx4 1 . 9 . 2627 . 1 1 16 TRP CZ3 C 8.497 0.071 -0.114 . . . 1.0 . . . . . . . . . . . . A . 16 TRP CZ3 . . . . . . . . . rr_2dx4 1 . 9 . 2628 . 1 1 16 TRP H H 4.197 -3.154 -0.494 . . . 1.0 . . . . . . . . . . . . A . 16 TRP H . . . . . . . . . rr_2dx4 1 . 9 . 2629 . 1 1 16 TRP HA H 6.942 -3.557 0.224 . . . 1.0 . . . . . . . . . . . . A . 16 TRP HA . . . . . . . . . rr_2dx4 1 . 9 . 2630 . 1 1 16 TRP HB2 H 4.517 -3.335 2.012 . . . 1.0 . . . . . . . . . . . . A . 16 TRP HB2 . . . . . . . . . rr_2dx4 1 . 9 . 2631 . 1 1 16 TRP HB3 H 6.197 -3.151 2.478 . . . 1.0 . . . . . . . . . . . . A . 16 TRP HB3 . . . . . . . . . rr_2dx4 1 . 9 . 2632 . 1 1 16 TRP HD1 H 3.415 -0.975 1.994 . . . 1.0 . . . . . . . . . . . . A . 16 TRP HD1 . . . . . . . . . rr_2dx4 1 . 9 . 2633 . 1 1 16 TRP HE1 H 4.002 1.486 1.243 . . . 1.0 . . . . . . . . . . . . A . 16 TRP HE1 . . . . . . . . . rr_2dx4 1 . 9 . 2634 . 1 1 16 TRP HE3 H 8.152 -2.011 0.465 . . . 1.0 . . . . . . . . . . . . A . 16 TRP HE3 . . . . . . . . . rr_2dx4 1 . 9 . 2635 . 1 1 16 TRP HH2 H 8.675 2.154 -0.632 . . . 1.0 . . . . . . . . . . . . A . 16 TRP HH2 . . . . . . . . . rr_2dx4 1 . 9 . 2636 . 1 1 16 TRP HZ2 H 6.329 2.695 0.119 . . . 1.0 . . . . . . . . . . . . A . 16 TRP HZ2 . . . . . . . . . rr_2dx4 1 . 9 . 2637 . 1 1 16 TRP HZ3 H 9.515 -0.134 -0.447 . . . 1.0 . . . . . . . . . . . . A . 16 TRP HZ3 . . . . . . . . . rr_2dx4 1 . 9 . 2638 . 1 1 16 TRP N N 5.094 -3.544 -0.699 . . . 1.0 . . . . . . . . . . . . A . 16 TRP N . . . . . . . . . rr_2dx4 1 . 9 . 2639 . 1 1 16 TRP NE1 N 4.667 0.625 1.183 . . . 1.0 . . . . . . . . . . . . A . 16 TRP NE1 . . . . . . . . . rr_2dx4 1 . 9 . 2640 . 1 1 16 TRP O O 5.470 -6.115 -0.150 . . . 1.0 . . . . . . . . . . . . A . 16 TRP O . . . . . . . . . rr_2dx4 1 . 9 . 2641 . 1 1 17 THR C C 5.951 -7.226 3.869 . . . 1.0 . . . . . . . . . . . . A . 17 THR C . . . . . . . . . rr_2dx4 1 . 9 . 2642 . 1 1 17 THR CA C 6.148 -7.106 2.357 . . . 1.0 . . . . . . . . . . . . A . 17 THR CA . . . . . . . . . rr_2dx4 1 . 9 . 2643 . 1 1 17 THR CB C 7.434 -7.768 1.857 . . . 1.0 . . . . . . . . . . . . A . 17 THR CB . . . . . . . . . rr_2dx4 1 . 9 . 2644 . 1 1 17 THR CG2 C 7.498 -7.844 0.330 . . . 1.0 . . . . . . . . . . . . A . 17 THR CG2 . . . . . . . . . rr_2dx4 1 . 9 . 2645 . 1 1 17 THR H H 6.474 -5.073 2.672 . . . 1.0 . . . . . . . . . . . . A . 17 THR H . . . . . . . . . rr_2dx4 1 . 9 . 2646 . 1 1 17 THR HA H 5.288 -7.579 1.884 . . . 1.0 . . . . . . . . . . . . A . 17 THR HA . . . . . . . . . rr_2dx4 1 . 9 . 2647 . 1 1 17 THR HB H 7.562 -8.755 2.302 . . . 1.0 . . . . . . . . . . . . A . 17 THR HB . . . . . . . . . rr_2dx4 1 . 9 . 2648 . 1 1 17 THR HG1 H 9.327 -7.320 2.328 . . . 1.0 . . . . . . . . . . . . A . 17 THR HG1 . . . . . . . . . rr_2dx4 1 . 9 . 2649 . 1 1 17 THR HG21 H 8.387 -8.399 0.031 . . . 1.0 . . . . . . . . . . . . A . 17 THR HG21 . . . . . . . . . rr_2dx4 1 . 9 . 2650 . 1 1 17 THR HG22 H 6.610 -8.352 -0.046 . . . 1.0 . . . . . . . . . . . . A . 17 THR HG22 . . . . . . . . . rr_2dx4 1 . 9 . 2651 . 1 1 17 THR HG23 H 7.543 -6.836 -0.082 . . . 1.0 . . . . . . . . . . . . A . 17 THR HG23 . . . . . . . . . rr_2dx4 1 . 9 . 2652 . 1 1 17 THR N N 6.178 -5.709 1.959 . . . 1.0 . . . . . . . . . . . . A . 17 THR N . . . . . . . . . rr_2dx4 1 . 9 . 2653 . 1 1 17 THR O O 6.909 -7.122 4.634 . . . 1.0 . . . . . . . . . . . . A . 17 THR O . . . . . . . . . rr_2dx4 1 . 9 . 2654 . 1 1 17 THR OG1 O 8.459 -6.840 2.201 . . . 1.0 . . . . . . . . . . . . A . 17 THR OG1 . . . . . . . . . rr_2dx4 1 . 9 . 2655 . 1 1 18 ALA C C 5.172 -6.559 6.474 . . . 1.0 . . . . . . . . . . . . A . 18 ALA C . . . . . . . . . rr_2dx4 1 . 9 . 2656 . 1 1 18 ALA CA C 4.368 -7.576 5.663 . . . 1.0 . . . . . . . . . . . . A . 18 ALA CA . . . . . . . . . rr_2dx4 1 . 9 . 2657 . 1 1 18 ALA CB C 4.625 -9.016 6.114 . . . 1.0 . . . . . . . . . . . . A . 18 ALA CB . . . . . . . . . rr_2dx4 1 . 9 . 2658 . 1 1 18 ALA H H 3.929 -7.525 3.628 . . . 1.0 . . . . . . . . . . . . A . 18 ALA H . . . . . . . . . rr_2dx4 1 . 9 . 2659 . 1 1 18 ALA HA H 3.305 -7.359 5.774 . . . 1.0 . . . . . . . . . . . . A . 18 ALA HA . . . . . . . . . rr_2dx4 1 . 9 . 2660 . 1 1 18 ALA HB1 H 5.371 -9.019 6.909 . . . 1.0 . . . . . . . . . . . . A . 18 ALA HB1 . . . . . . . . . rr_2dx4 1 . 9 . 2661 . 1 1 18 ALA HB2 H 3.698 -9.452 6.484 . . . 1.0 . . . . . . . . . . . . A . 18 ALA HB2 . . . . . . . . . rr_2dx4 1 . 9 . 2662 . 1 1 18 ALA HB3 H 4.991 -9.601 5.270 . . . 1.0 . . . . . . . . . . . . A . 18 ALA HB3 . . . . . . . . . rr_2dx4 1 . 9 . 2663 . 1 1 18 ALA N N 4.703 -7.442 4.256 . . . 1.0 . . . . . . . . . . . . A . 18 ALA N . . . . . . . . . rr_2dx4 1 . 9 . 2664 . 1 1 18 ALA O O 5.638 -5.557 5.933 . . . 1.0 . . . . . . . . . . . . A . 18 ALA O . . . . . . . . . rr_2dx4 1 . 10 . 2665 . 1 1 1 ILE C C 1.386 -3.690 8.014 . . . 1.0 . . . . . . . . . . . . A . 1 ILE C . . . . . . . . . rr_2dx4 1 . 10 . 2666 . 1 1 1 ILE CA C 2.222 -3.331 9.244 . . . 1.0 . . . . . . . . . . . . A . 1 ILE CA . . . . . . . . . rr_2dx4 1 . 10 . 2667 . 1 1 1 ILE CB C 3.168 -4.447 9.691 . . . 1.0 . . . . . . . . . . . . A . 1 ILE CB . . . . . . . . . rr_2dx4 1 . 10 . 2668 . 1 1 1 ILE CD1 C 2.510 -4.904 12.083 . . . 1.0 . . . . . . . . . . . . A . 1 ILE CD1 . . . . . . . . . rr_2dx4 1 . 10 . 2669 . 1 1 1 ILE CG1 C 3.559 -4.278 11.161 . . . 1.0 . . . . . . . . . . . . A . 1 ILE CG1 . . . . . . . . . rr_2dx4 1 . 10 . 2670 . 1 1 1 ILE CG2 C 4.393 -4.527 8.778 . . . 1.0 . . . . . . . . . . . . A . 1 ILE CG2 . . . . . . . . . rr_2dx4 1 . 10 . 2671 . 1 1 1 ILE H1 H 1.793 -2.773 11.204 . . . 1.0 . . . . . . . . . . . . A . 1 ILE H1 . . . . . . . . . rr_2dx4 1 . 10 . 2672 . 1 1 1 ILE HA H 2.838 -2.465 9.002 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HA . . . . . . . . . rr_2dx4 1 . 10 . 2673 . 1 1 1 ILE HB H 2.640 -5.397 9.606 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HB . . . . . . . . . rr_2dx4 1 . 10 . 2674 . 1 1 1 ILE HD11 H 1.718 -5.351 11.481 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HD11 . . . . . . . . . rr_2dx4 1 . 10 . 2675 . 1 1 1 ILE HD12 H 2.978 -5.673 12.697 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HD12 . . . . . . . . . rr_2dx4 1 . 10 . 2676 . 1 1 1 ILE HD13 H 2.086 -4.133 12.726 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HD13 . . . . . . . . . rr_2dx4 1 . 10 . 2677 . 1 1 1 ILE HG12 H 4.528 -4.744 11.339 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HG12 . . . . . . . . . rr_2dx4 1 . 10 . 2678 . 1 1 1 ILE HG13 H 3.667 -3.219 11.393 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HG13 . . . . . . . . . rr_2dx4 1 . 10 . 2679 . 1 1 1 ILE HG21 H 4.253 -5.328 8.052 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HG21 . . . . . . . . . rr_2dx4 1 . 10 . 2680 . 1 1 1 ILE HG22 H 4.518 -3.580 8.254 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HG22 . . . . . . . . . rr_2dx4 1 . 10 . 2681 . 1 1 1 ILE HG23 H 5.280 -4.732 9.377 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HG23 . . . . . . . . . rr_2dx4 1 . 10 . 2682 . 1 1 1 ILE N N 1.338 -2.947 10.331 . . . 1.0 . . . . . . . . . . . . A . 1 ILE N . . . . . . . . . rr_2dx4 1 . 10 . 2683 . 1 1 1 ILE O O 0.157 -3.644 8.060 . . . 1.0 . . . . . . . . . . . . A . 1 ILE O . . . . . . . . . rr_2dx4 1 . 10 . 2684 . 1 1 2 ASN C C 0.605 -3.215 5.196 . . . 1.0 . . . . . . . . . . . . A . 2 ASN C . . . . . . . . . rr_2dx4 1 . 10 . 2685 . 1 1 2 ASN CA C 1.421 -4.405 5.704 . . . 1.0 . . . . . . . . . . . . A . 2 ASN CA . . . . . . . . . rr_2dx4 1 . 10 . 2686 . 1 1 2 ASN CB C 0.464 -5.579 5.918 . . . 1.0 . . . . . . . . . . . . A . 2 ASN CB . . . . . . . . . rr_2dx4 1 . 10 . 2687 . 1 1 2 ASN CG C -0.364 -5.848 4.659 . . . 1.0 . . . . . . . . . . . . A . 2 ASN CG . . . . . . . . . rr_2dx4 1 . 10 . 2688 . 1 1 2 ASN H H 3.083 -4.073 6.915 . . . 1.0 . . . . . . . . . . . . A . 2 ASN H . . . . . . . . . rr_2dx4 1 . 10 . 2689 . 1 1 2 ASN HA H 2.224 -4.682 5.021 . . . 1.0 . . . . . . . . . . . . A . 2 ASN HA . . . . . . . . . rr_2dx4 1 . 10 . 2690 . 1 1 2 ASN HB2 H 1.030 -6.472 6.182 . . . 1.0 . . . . . . . . . . . . A . 2 ASN HB2 . . . . . . . . . rr_2dx4 1 . 10 . 2691 . 1 1 2 ASN HB3 H -0.201 -5.364 6.755 . . . 1.0 . . . . . . . . . . . . A . 2 ASN HB3 . . . . . . . . . rr_2dx4 1 . 10 . 2692 . 1 1 2 ASN HD21 H 1.318 -5.606 3.559 . . . 1.0 . . . . . . . . . . . . A . 2 ASN HD21 . . . . . . . . . rr_2dx4 1 . 10 . 2693 . 1 1 2 ASN HD22 H -0.114 -5.966 2.653 . . . 1.0 . . . . . . . . . . . . A . 2 ASN HD22 . . . . . . . . . rr_2dx4 1 . 10 . 2694 . 1 1 2 ASN N N 2.084 -4.039 6.944 . . . 1.0 . . . . . . . . . . . . A . 2 ASN N . . . . . . . . . rr_2dx4 1 . 10 . 2695 . 1 1 2 ASN ND2 N 0.338 -5.803 3.530 . . . 1.0 . . . . . . . . . . . . A . 2 ASN ND2 . . . . . . . . . rr_2dx4 1 . 10 . 2696 . 1 1 2 ASN O O -0.625 -3.256 5.198 . . . 1.0 . . . . . . . . . . . . A . 2 ASN O . . . . . . . . . rr_2dx4 1 . 10 . 2697 . 1 1 2 ASN OD1 O -1.560 -6.081 4.709 . . . 1.0 . . . . . . . . . . . . A . 2 ASN OD1 . . . . . . . . . rr_2dx4 1 . 10 . 2698 . 1 1 3 TYR C C 0.518 -1.052 2.744 . . . 1.0 . . . . . . . . . . . . A . 3 TYR C . . . . . . . . . rr_2dx4 1 . 10 . 2699 . 1 1 3 TYR CA C 0.678 -0.985 4.264 . . . 1.0 . . . . . . . . . . . . A . 3 TYR CA . . . . . . . . . rr_2dx4 1 . 10 . 2700 . 1 1 3 TYR CB C 1.611 0.176 4.616 . . . 1.0 . . . . . . . . . . . . A . 3 TYR CB . . . . . . . . . rr_2dx4 1 . 10 . 2701 . 1 1 3 TYR CD1 C 1.611 -0.016 7.130 . . . 1.0 . . . . . . . . . . . . A . 3 TYR CD1 . . . . . . . . . rr_2dx4 1 . 10 . 2702 . 1 1 3 TYR CD2 C 3.707 -0.114 5.986 . . . 1.0 . . . . . . . . . . . . A . 3 TYR CD2 . . . . . . . . . rr_2dx4 1 . 10 . 2703 . 1 1 3 TYR CE1 C 2.291 -0.172 8.390 . . . 1.0 . . . . . . . . . . . . A . 3 TYR CE1 . . . . . . . . . rr_2dx4 1 . 10 . 2704 . 1 1 3 TYR CE2 C 4.387 -0.271 7.246 . . . 1.0 . . . . . . . . . . . . A . 3 TYR CE2 . . . . . . . . . rr_2dx4 1 . 10 . 2705 . 1 1 3 TYR CG C 2.333 0.010 5.954 . . . 1.0 . . . . . . . . . . . . A . 3 TYR CG . . . . . . . . . rr_2dx4 1 . 10 . 2706 . 1 1 3 TYR CZ C 3.645 -0.292 8.385 . . . 1.0 . . . . . . . . . . . . A . 3 TYR CZ . . . . . . . . . rr_2dx4 1 . 10 . 2707 . 1 1 3 TYR H H 2.321 -2.159 4.775 . . . 1.0 . . . . . . . . . . . . A . 3 TYR H . . . . . . . . . rr_2dx4 1 . 10 . 2708 . 1 1 3 TYR HA H -0.308 -0.911 4.723 . . . 1.0 . . . . . . . . . . . . A . 3 TYR HA . . . . . . . . . rr_2dx4 1 . 10 . 2709 . 1 1 3 TYR HB2 H 2.353 0.284 3.825 . . . 1.0 . . . . . . . . . . . . A . 3 TYR HB2 . . . . . . . . . rr_2dx4 1 . 10 . 2710 . 1 1 3 TYR HB3 H 1.033 1.099 4.639 . . . 1.0 . . . . . . . . . . . . A . 3 TYR HB3 . . . . . . . . . rr_2dx4 1 . 10 . 2711 . 1 1 3 TYR HD1 H 0.525 0.082 7.105 . . . 1.0 . . . . . . . . . . . . A . 3 TYR HD1 . . . . . . . . . rr_2dx4 1 . 10 . 2712 . 1 1 3 TYR HD2 H 4.278 -0.094 5.058 . . . 1.0 . . . . . . . . . . . . A . 3 TYR HD2 . . . . . . . . . rr_2dx4 1 . 10 . 2713 . 1 1 3 TYR HE1 H 1.732 -0.194 9.325 . . . 1.0 . . . . . . . . . . . . A . 3 TYR HE1 . . . . . . . . . rr_2dx4 1 . 10 . 2714 . 1 1 3 TYR HE2 H 5.472 -0.369 7.285 . . . 1.0 . . . . . . . . . . . . A . 3 TYR HE2 . . . . . . . . . rr_2dx4 1 . 10 . 2715 . 1 1 3 TYR HH H 5.241 -0.699 9.419 . . . 1.0 . . . . . . . . . . . . A . 3 TYR HH . . . . . . . . . rr_2dx4 1 . 10 . 2716 . 1 1 3 TYR N N 1.321 -2.184 4.774 . . . 1.0 . . . . . . . . . . . . A . 3 TYR N . . . . . . . . . rr_2dx4 1 . 10 . 2717 . 1 1 3 TYR O O 0.488 -0.021 2.073 . . . 1.0 . . . . . . . . . . . . A . 3 TYR O . . . . . . . . . rr_2dx4 1 . 10 . 2718 . 1 1 3 TYR OH O 4.288 -0.440 9.575 . . . 1.0 . . . . . . . . . . . . A . 3 TYR OH . . . . . . . . . rr_2dx4 1 . 10 . 2719 . 1 1 4 TRP C C -0.707 -1.434 0.283 . . . 1.0 . . . . . . . . . . . . A . 4 TRP C . . . . . . . . . rr_2dx4 1 . 10 . 2720 . 1 1 4 TRP CA C 0.262 -2.490 0.817 . . . 1.0 . . . . . . . . . . . . A . 4 TRP CA . . . . . . . . . rr_2dx4 1 . 10 . 2721 . 1 1 4 TRP CB C -0.194 -3.922 0.524 . . . 1.0 . . . . . . . . . . . . A . 4 TRP CB . . . . . . . . . rr_2dx4 1 . 10 . 2722 . 1 1 4 TRP CD1 C -1.354 -3.620 -1.761 . . . 1.0 . . . . . . . . . . . . A . 4 TRP CD1 . . . . . . . . . rr_2dx4 1 . 10 . 2723 . 1 1 4 TRP CD2 C 0.235 -5.164 -1.784 . . . 1.0 . . . . . . . . . . . . A . 4 TRP CD2 . . . . . . . . . rr_2dx4 1 . 10 . 2724 . 1 1 4 TRP CE2 C -0.300 -5.103 -3.055 . . . 1.0 . . . . . . . . . . . . A . 4 TRP CE2 . . . . . . . . . rr_2dx4 1 . 10 . 2725 . 1 1 4 TRP CE3 C 1.275 -6.056 -1.469 . . . 1.0 . . . . . . . . . . . . A . 4 TRP CE3 . . . . . . . . . rr_2dx4 1 . 10 . 2726 . 1 1 4 TRP CG C -0.454 -4.202 -0.957 . . . 1.0 . . . . . . . . . . . . A . 4 TRP CG . . . . . . . . . rr_2dx4 1 . 10 . 2727 . 1 1 4 TRP CH2 C 1.177 -6.805 -3.820 . . . 1.0 . . . . . . . . . . . . A . 4 TRP CH2 . . . . . . . . . rr_2dx4 1 . 10 . 2728 . 1 1 4 TRP CZ2 C 0.142 -5.908 -4.112 . . . 1.0 . . . . . . . . . . . . A . 4 TRP CZ2 . . . . . . . . . rr_2dx4 1 . 10 . 2729 . 1 1 4 TRP CZ3 C 1.704 -6.854 -2.535 . . . 1.0 . . . . . . . . . . . . A . 4 TRP CZ3 . . . . . . . . . rr_2dx4 1 . 10 . 2730 . 1 1 4 TRP H H 0.443 -3.108 2.798 . . . 1.0 . . . . . . . . . . . . A . 4 TRP H . . . . . . . . . rr_2dx4 1 . 10 . 2731 . 1 1 4 TRP HA H 1.240 -2.368 0.352 . . . 1.0 . . . . . . . . . . . . A . 4 TRP HA . . . . . . . . . rr_2dx4 1 . 10 . 2732 . 1 1 4 TRP HB2 H 0.565 -4.615 0.887 . . . 1.0 . . . . . . . . . . . . A . 4 TRP HB2 . . . . . . . . . rr_2dx4 1 . 10 . 2733 . 1 1 4 TRP HB3 H -1.105 -4.124 1.087 . . . 1.0 . . . . . . . . . . . . A . 4 TRP HB3 . . . . . . . . . rr_2dx4 1 . 10 . 2734 . 1 1 4 TRP HD1 H -2.045 -2.838 -1.445 . . . 1.0 . . . . . . . . . . . . A . 4 TRP HD1 . . . . . . . . . rr_2dx4 1 . 10 . 2735 . 1 1 4 TRP HE1 H -1.918 -3.835 -3.885 . . . 1.0 . . . . . . . . . . . . A . 4 TRP HE1 . . . . . . . . . rr_2dx4 1 . 10 . 2736 . 1 1 4 TRP HE3 H 1.713 -6.123 -0.473 . . . 1.0 . . . . . . . . . . . . A . 4 TRP HE3 . . . . . . . . . rr_2dx4 1 . 10 . 2737 . 1 1 4 TRP HH2 H 1.567 -7.461 -4.598 . . . 1.0 . . . . . . . . . . . . A . 4 TRP HH2 . . . . . . . . . rr_2dx4 1 . 10 . 2738 . 1 1 4 TRP HZ2 H -0.297 -5.841 -5.107 . . . 1.0 . . . . . . . . . . . . A . 4 TRP HZ2 . . . . . . . . . rr_2dx4 1 . 10 . 2739 . 1 1 4 TRP HZ3 H 2.509 -7.564 -2.345 . . . 1.0 . . . . . . . . . . . . A . 4 TRP HZ3 . . . . . . . . . rr_2dx4 1 . 10 . 2740 . 1 1 4 TRP N N 0.418 -2.275 2.245 . . . 1.0 . . . . . . . . . . . . A . 4 TRP N . . . . . . . . . rr_2dx4 1 . 10 . 2741 . 1 1 4 TRP NE1 N -1.297 -4.134 -3.041 . . . 1.0 . . . . . . . . . . . . A . 4 TRP NE1 . . . . . . . . . rr_2dx4 1 . 10 . 2742 . 1 1 4 TRP O O -0.284 -0.436 -0.300 . . . 1.0 . . . . . . . . . . . . A . 4 TRP O . . . . . . . . . rr_2dx4 1 . 10 . 2743 . 1 1 5 LEU C C -2.607 -0.166 -1.295 . . . 1.0 . . . . . . . . . . . . A . 5 LEU C . . . . . . . . . rr_2dx4 1 . 10 . 2744 . 1 1 5 LEU CA C -3.022 -0.772 0.048 . . . 1.0 . . . . . . . . . . . . A . 5 LEU CA . . . . . . . . . rr_2dx4 1 . 10 . 2745 . 1 1 5 LEU CB C -3.323 0.270 1.127 . . . 1.0 . . . . . . . . . . . . A . 5 LEU CB . . . . . . . . . rr_2dx4 1 . 10 . 2746 . 1 1 5 LEU CD1 C -3.790 2.367 -0.195 . . . 1.0 . . . . . . . . . . . . A . 5 LEU CD1 . . . . . . . . . rr_2dx4 1 . 10 . 2747 . 1 1 5 LEU CD2 C -5.636 0.674 0.208 . . . 1.0 . . . . . . . . . . . . A . 5 LEU CD2 . . . . . . . . . rr_2dx4 1 . 10 . 2748 . 1 1 5 LEU CG C -4.369 1.326 0.766 . . . 1.0 . . . . . . . . . . . . A . 5 LEU CG . . . . . . . . . rr_2dx4 1 . 10 . 2749 . 1 1 5 LEU H H -2.325 -2.503 0.974 . . . 1.0 . . . . . . . . . . . . A . 5 LEU H . . . . . . . . . rr_2dx4 1 . 10 . 2750 . 1 1 5 LEU HA H -3.932 -1.353 -0.102 . . . 1.0 . . . . . . . . . . . . A . 5 LEU HA . . . . . . . . . rr_2dx4 1 . 10 . 2751 . 1 1 5 LEU HB2 H -3.655 -0.250 2.024 . . . 1.0 . . . . . . . . . . . . A . 5 LEU HB2 . . . . . . . . . rr_2dx4 1 . 10 . 2752 . 1 1 5 LEU HB3 H -2.393 0.781 1.380 . . . 1.0 . . . . . . . . . . . . A . 5 LEU HB3 . . . . . . . . . rr_2dx4 1 . 10 . 2753 . 1 1 5 LEU HD11 H -3.920 2.026 -1.222 . . . 1.0 . . . . . . . . . . . . A . 5 LEU HD11 . . . . . . . . . rr_2dx4 1 . 10 . 2754 . 1 1 5 LEU HD12 H -4.309 3.316 -0.058 . . . 1.0 . . . . . . . . . . . . A . 5 LEU HD12 . . . . . . . . . rr_2dx4 1 . 10 . 2755 . 1 1 5 LEU HD13 H -2.728 2.501 0.012 . . . 1.0 . . . . . . . . . . . . A . 5 LEU HD13 . . . . . . . . . rr_2dx4 1 . 10 . 2756 . 1 1 5 LEU HD21 H -6.513 1.199 0.588 . . . 1.0 . . . . . . . . . . . . A . 5 LEU HD21 . . . . . . . . . rr_2dx4 1 . 10 . 2757 . 1 1 5 LEU HD22 H -5.624 0.729 -0.880 . . . 1.0 . . . . . . . . . . . . A . 5 LEU HD22 . . . . . . . . . rr_2dx4 1 . 10 . 2758 . 1 1 5 LEU HD23 H -5.674 -0.370 0.519 . . . 1.0 . . . . . . . . . . . . A . 5 LEU HD23 . . . . . . . . . rr_2dx4 1 . 10 . 2759 . 1 1 5 LEU HG H -4.653 1.852 1.677 . . . 1.0 . . . . . . . . . . . . A . 5 LEU HG . . . . . . . . . rr_2dx4 1 . 10 . 2760 . 1 1 5 LEU N N -1.989 -1.689 0.500 . . . 1.0 . . . . . . . . . . . . A . 5 LEU N . . . . . . . . . rr_2dx4 1 . 10 . 2761 . 1 1 5 LEU O O -2.027 0.918 -1.338 . . . 1.0 . . . . . . . . . . . . A . 5 LEU O . . . . . . . . . rr_2dx4 1 . 10 . 2762 . 1 1 6 ALA C C -3.879 -0.204 -4.487 . . . 1.0 . . . . . . . . . . . . A . 6 ALA C . . . . . . . . . rr_2dx4 1 . 10 . 2763 . 1 1 6 ALA CA C -2.589 -0.439 -3.698 . . . 1.0 . . . . . . . . . . . . A . 6 ALA CA . . . . . . . . . rr_2dx4 1 . 10 . 2764 . 1 1 6 ALA CB C -1.673 -1.464 -4.370 . . . 1.0 . . . . . . . . . . . . A . 6 ALA CB . . . . . . . . . rr_2dx4 1 . 10 . 2765 . 1 1 6 ALA H H -3.393 -1.772 -2.314 . . . 1.0 . . . . . . . . . . . . A . 6 ALA H . . . . . . . . . rr_2dx4 1 . 10 . 2766 . 1 1 6 ALA HA H -2.052 0.505 -3.605 . . . 1.0 . . . . . . . . . . . . A . 6 ALA HA . . . . . . . . . rr_2dx4 1 . 10 . 2767 . 1 1 6 ALA HB1 H -2.278 -2.225 -4.861 . . . 1.0 . . . . . . . . . . . . A . 6 ALA HB1 . . . . . . . . . rr_2dx4 1 . 10 . 2768 . 1 1 6 ALA HB2 H -1.049 -0.962 -5.110 . . . 1.0 . . . . . . . . . . . . A . 6 ALA HB2 . . . . . . . . . rr_2dx4 1 . 10 . 2769 . 1 1 6 ALA HB3 H -1.039 -1.933 -3.618 . . . 1.0 . . . . . . . . . . . . A . 6 ALA HB3 . . . . . . . . . rr_2dx4 1 . 10 . 2770 . 1 1 6 ALA N N -2.921 -0.892 -2.358 . . . 1.0 . . . . . . . . . . . . A . 6 ALA N . . . . . . . . . rr_2dx4 1 . 10 . 2771 . 1 1 6 ALA O O -4.459 -1.144 -5.028 . . . 1.0 . . . . . . . . . . . . A . 6 ALA O . . . . . . . . . rr_2dx4 1 . 10 . 2772 . 1 1 7 HIS C C -5.335 2.824 -5.838 . . . 1.0 . . . . . . . . . . . . A . 7 HIS C . . . . . . . . . rr_2dx4 1 . 10 . 2773 . 1 1 7 HIS CA C -5.499 1.425 -5.240 . . . 1.0 . . . . . . . . . . . . A . 7 HIS CA . . . . . . . . . rr_2dx4 1 . 10 . 2774 . 1 1 7 HIS CB C -6.724 1.310 -4.330 . . . 1.0 . . . . . . . . . . . . A . 7 HIS CB . . . . . . . . . rr_2dx4 1 . 10 . 2775 . 1 1 7 HIS CD2 C -6.915 3.456 -2.849 . . . 1.0 . . . . . . . . . . . . A . 7 HIS CD2 . . . . . . . . . rr_2dx4 1 . 10 . 2776 . 1 1 7 HIS CE1 C -8.592 4.403 -3.887 . . . 1.0 . . . . . . . . . . . . A . 7 HIS CE1 . . . . . . . . . rr_2dx4 1 . 10 . 2777 . 1 1 7 HIS CG C -7.280 2.639 -3.879 . . . 1.0 . . . . . . . . . . . . A . 7 HIS CG . . . . . . . . . rr_2dx4 1 . 10 . 2778 . 1 1 7 HIS H H -3.811 1.813 -4.083 . . . 1.0 . . . . . . . . . . . . A . 7 HIS H . . . . . . . . . rr_2dx4 1 . 10 . 2779 . 1 1 7 HIS HA H -5.618 0.705 -6.049 . . . 1.0 . . . . . . . . . . . . A . 7 HIS HA . . . . . . . . . rr_2dx4 1 . 10 . 2780 . 1 1 7 HIS HB2 H -7.504 0.760 -4.856 . . . 1.0 . . . . . . . . . . . . A . 7 HIS HB2 . . . . . . . . . rr_2dx4 1 . 10 . 2781 . 1 1 7 HIS HB3 H -6.456 0.723 -3.451 . . . 1.0 . . . . . . . . . . . . A . 7 HIS HB3 . . . . . . . . . rr_2dx4 1 . 10 . 2782 . 1 1 7 HIS HD1 H -8.832 2.913 -5.311 . . . 1.0 . . . . . . . . . . . . A . 7 HIS HD1 . . . . . . . . . rr_2dx4 1 . 10 . 2783 . 1 1 7 HIS HD2 H -6.108 3.265 -2.140 . . . 1.0 . . . . . . . . . . . . A . 7 HIS HD2 . . . . . . . . . rr_2dx4 1 . 10 . 2784 . 1 1 7 HIS HE1 H -9.369 5.120 -4.150 . . . 1.0 . . . . . . . . . . . . A . 7 HIS HE1 . . . . . . . . . rr_2dx4 1 . 10 . 2785 . 1 1 7 HIS HE2 H -7.699 5.255 -2.177 . . . 1.0 . . . . . . . . . . . . A . 7 HIS HE2 . . . . . . . . . rr_2dx4 1 . 10 . 2786 . 1 1 7 HIS N N -4.289 1.055 -4.526 . . . 1.0 . . . . . . . . . . . . A . 7 HIS N . . . . . . . . . rr_2dx4 1 . 10 . 2787 . 1 1 7 HIS ND1 N -8.340 3.263 -4.514 . . . 1.0 . . . . . . . . . . . . A . 7 HIS ND1 . . . . . . . . . rr_2dx4 1 . 10 . 2788 . 1 1 7 HIS NE2 N -7.707 4.521 -2.856 . . . 1.0 . . . . . . . . . . . . A . 7 HIS NE2 . . . . . . . . . rr_2dx4 1 . 10 . 2789 . 1 1 7 HIS O O -5.438 3.000 -7.051 . . . 1.0 . . . . . . . . . . . . A . 7 HIS O . . . . . . . . . rr_2dx4 1 . 10 . 2790 . 1 1 8 ALA C C -4.562 6.025 -4.170 . . . 1.0 . . . . . . . . . . . . A . 8 ALA C . . . . . . . . . rr_2dx4 1 . 10 . 2791 . 1 1 8 ALA CA C -4.901 5.160 -5.386 . . . 1.0 . . . . . . . . . . . . A . 8 ALA CA . . . . . . . . . rr_2dx4 1 . 10 . 2792 . 1 1 8 ALA CB C -6.161 5.639 -6.109 . . . 1.0 . . . . . . . . . . . . A . 8 ALA CB . . . . . . . . . rr_2dx4 1 . 10 . 2793 . 1 1 8 ALA H H -4.999 3.630 -3.975 . . . 1.0 . . . . . . . . . . . . A . 8 ALA H . . . . . . . . . rr_2dx4 1 . 10 . 2794 . 1 1 8 ALA HA H -4.065 5.185 -6.084 . . . 1.0 . . . . . . . . . . . . A . 8 ALA HA . . . . . . . . . rr_2dx4 1 . 10 . 2795 . 1 1 8 ALA HB1 H -6.139 5.298 -7.143 . . . 1.0 . . . . . . . . . . . . A . 8 ALA HB1 . . . . . . . . . rr_2dx4 1 . 10 . 2796 . 1 1 8 ALA HB2 H -7.042 5.234 -5.611 . . . 1.0 . . . . . . . . . . . . A . 8 ALA HB2 . . . . . . . . . rr_2dx4 1 . 10 . 2797 . 1 1 8 ALA HB3 H -6.201 6.729 -6.087 . . . 1.0 . . . . . . . . . . . . A . 8 ALA HB3 . . . . . . . . . rr_2dx4 1 . 10 . 2798 . 1 1 8 ALA N N -5.081 3.782 -4.960 . . . 1.0 . . . . . . . . . . . . A . 8 ALA N . . . . . . . . . rr_2dx4 1 . 10 . 2799 . 1 1 8 ALA O O -3.390 6.246 -3.870 . . . 1.0 . . . . . . . . . . . . A . 8 ALA O . . . . . . . . . rr_2dx4 1 . 10 . 2800 . 1 1 9 LYS C C -4.119 8.097 -2.445 . . . 1.0 . . . . . . . . . . . . A . 9 LYS C . . . . . . . . . rr_2dx4 1 . 10 . 2801 . 1 1 9 LYS CA C -5.435 7.326 -2.328 . . . 1.0 . . . . . . . . . . . . A . 9 LYS CA . . . . . . . . . rr_2dx4 1 . 10 . 2802 . 1 1 9 LYS CB C -5.546 6.487 -1.054 . . . 1.0 . . . . . . . . . . . . A . 9 LYS CB . . . . . . . . . rr_2dx4 1 . 10 . 2803 . 1 1 9 LYS CD C -6.005 7.088 1.352 . . . 1.0 . . . . . . . . . . . . A . 9 LYS CD . . . . . . . . . rr_2dx4 1 . 10 . 2804 . 1 1 9 LYS CE C -5.875 5.682 1.942 . . . 1.0 . . . . . . . . . . . . A . 9 LYS CE . . . . . . . . . rr_2dx4 1 . 10 . 2805 . 1 1 9 LYS CG C -5.059 7.274 0.165 . . . 1.0 . . . . . . . . . . . . A . 9 LYS CG . . . . . . . . . rr_2dx4 1 . 10 . 2806 . 1 1 9 LYS H H -6.558 6.306 -3.755 . . . 1.0 . . . . . . . . . . . . A . 9 LYS H . . . . . . . . . rr_2dx4 1 . 10 . 2807 . 1 1 9 LYS HA H -6.256 8.044 -2.314 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HA . . . . . . . . . rr_2dx4 1 . 10 . 2808 . 1 1 9 LYS HB2 H -6.582 6.182 -0.903 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HB2 . . . . . . . . . rr_2dx4 1 . 10 . 2809 . 1 1 9 LYS HB3 H -4.958 5.576 -1.161 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HB3 . . . . . . . . . rr_2dx4 1 . 10 . 2810 . 1 1 9 LYS HD2 H -5.783 7.829 2.119 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HD2 . . . . . . . . . rr_2dx4 1 . 10 . 2811 . 1 1 9 LYS HD3 H -7.033 7.258 1.033 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HD3 . . . . . . . . . rr_2dx4 1 . 10 . 2812 . 1 1 9 LYS HE2 H -6.689 5.053 1.581 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HE2 . . . . . . . . . rr_2dx4 1 . 10 . 2813 . 1 1 9 LYS HE3 H -4.945 5.224 1.604 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HE3 . . . . . . . . . rr_2dx4 1 . 10 . 2814 . 1 1 9 LYS HG2 H -4.057 6.944 0.438 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HG2 . . . . . . . . . rr_2dx4 1 . 10 . 2815 . 1 1 9 LYS HG3 H -4.988 8.333 -0.086 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HG3 . . . . . . . . . rr_2dx4 1 . 10 . 2816 . 1 1 9 LYS HZ1 H -5.218 6.392 3.742 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HZ1 . . . . . . . . . rr_2dx4 1 . 10 . 2817 . 1 1 9 LYS HZ2 H -6.808 6.019 3.729 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HZ2 . . . . . . . . . rr_2dx4 1 . 10 . 2818 . 1 1 9 LYS HZ3 H -5.691 4.830 3.790 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HZ3 . . . . . . . . . rr_2dx4 1 . 10 . 2819 . 1 1 9 LYS N N -5.608 6.490 -3.504 . . . 1.0 . . . . . . . . . . . . A . 9 LYS N . . . . . . . . . rr_2dx4 1 . 10 . 2820 . 1 1 9 LYS NZ N -5.900 5.735 3.420 . . . 1.0 . . . . . . . . . . . . A . 9 LYS NZ . . . . . . . . . rr_2dx4 1 . 10 . 2821 . 1 1 9 LYS O O -3.287 8.052 -1.540 . . . 1.0 . . . . . . . . . . . . A . 9 LYS O . . . . . . . . . rr_2dx4 1 . 10 . 2822 . 1 1 10 ALA C C -1.702 8.666 -4.439 . . . 1.0 . . . . . . . . . . . . A . 10 ALA C . . . . . . . . . rr_2dx4 1 . 10 . 2823 . 1 1 10 ALA CA C -2.769 9.566 -3.813 . . . 1.0 . . . . . . . . . . . . A . 10 ALA CA . . . . . . . . . rr_2dx4 1 . 10 . 2824 . 1 1 10 ALA CB C -2.298 10.205 -2.505 . . . 1.0 . . . . . . . . . . . . A . 10 ALA CB . . . . . . . . . rr_2dx4 1 . 10 . 2825 . 1 1 10 ALA H H -4.652 8.818 -4.297 . . . 1.0 . . . . . . . . . . . . A . 10 ALA H . . . . . . . . . rr_2dx4 1 . 10 . 2826 . 1 1 10 ALA HA H -3.025 10.357 -4.518 . . . 1.0 . . . . . . . . . . . . A . 10 ALA HA . . . . . . . . . rr_2dx4 1 . 10 . 2827 . 1 1 10 ALA HB1 H -1.718 11.100 -2.727 . . . 1.0 . . . . . . . . . . . . A . 10 ALA HB1 . . . . . . . . . rr_2dx4 1 . 10 . 2828 . 1 1 10 ALA HB2 H -3.164 10.474 -1.900 . . . 1.0 . . . . . . . . . . . . A . 10 ALA HB2 . . . . . . . . . rr_2dx4 1 . 10 . 2829 . 1 1 10 ALA HB3 H -1.678 9.496 -1.957 . . . 1.0 . . . . . . . . . . . . A . 10 ALA HB3 . . . . . . . . . rr_2dx4 1 . 10 . 2830 . 1 1 10 ALA N N -3.971 8.786 -3.566 . . . 1.0 . . . . . . . . . . . . A . 10 ALA N . . . . . . . . . rr_2dx4 1 . 10 . 2831 . 1 1 10 ALA O O -0.526 8.756 -4.090 . . . 1.0 . . . . . . . . . . . . A . 10 ALA O . . . . . . . . . rr_2dx4 1 . 10 . 2832 . 1 1 11 GLY C C -0.475 6.049 -5.025 . . . 1.0 . . . . . . . . . . . . A . 11 GLY C . . . . . . . . . rr_2dx4 1 . 10 . 2833 . 1 1 11 GLY CA C -1.249 6.903 -6.032 . . . 1.0 . . . . . . . . . . . . A . 11 GLY CA . . . . . . . . . rr_2dx4 1 . 10 . 2834 . 1 1 11 GLY H H -3.109 7.752 -5.632 . . . 1.0 . . . . . . . . . . . . A . 11 GLY H . . . . . . . . . rr_2dx4 1 . 10 . 2835 . 1 1 11 GLY HA2 H -1.817 6.257 -6.701 . . . 1.0 . . . . . . . . . . . . A . 11 GLY HA2 . . . . . . . . . rr_2dx4 1 . 10 . 2836 . 1 1 11 GLY HA3 H -0.550 7.466 -6.650 . . . 1.0 . . . . . . . . . . . . A . 11 GLY HA3 . . . . . . . . . rr_2dx4 1 . 10 . 2837 . 1 1 11 GLY N N -2.151 7.818 -5.353 . . . 1.0 . . . . . . . . . . . . A . 11 GLY N . . . . . . . . . rr_2dx4 1 . 10 . 2838 . 1 1 11 GLY O O 0.739 5.889 -5.145 . . . 1.0 . . . . . . . . . . . . A . 11 GLY O . . . . . . . . . rr_2dx4 1 . 10 . 2839 . 1 1 12 TYR C C -0.246 3.311 -3.584 . . . 1.0 . . . . . . . . . . . . A . 12 TYR C . . . . . . . . . rr_2dx4 1 . 10 . 2840 . 1 1 12 TYR CA C -0.606 4.691 -3.029 . . . 1.0 . . . . . . . . . . . . A . 12 TYR CA . . . . . . . . . rr_2dx4 1 . 10 . 2841 . 1 1 12 TYR CB C -1.669 4.528 -1.940 . . . 1.0 . . . . . . . . . . . . A . 12 TYR CB . . . . . . . . . rr_2dx4 1 . 10 . 2842 . 1 1 12 TYR CD1 C -0.501 3.174 -0.163 . . . 1.0 . . . . . . . . . . . . A . 12 TYR CD1 . . . . . . . . . rr_2dx4 1 . 10 . 2843 . 1 1 12 TYR CD2 C -1.177 5.404 0.372 . . . 1.0 . . . . . . . . . . . . A . 12 TYR CD2 . . . . . . . . . rr_2dx4 1 . 10 . 2844 . 1 1 12 TYR CE1 C 0.038 3.020 1.164 . . . 1.0 . . . . . . . . . . . . A . 12 TYR CE1 . . . . . . . . . rr_2dx4 1 . 10 . 2845 . 1 1 12 TYR CE2 C -0.638 5.249 1.698 . . . 1.0 . . . . . . . . . . . . A . 12 TYR CE2 . . . . . . . . . rr_2dx4 1 . 10 . 2846 . 1 1 12 TYR CG C -1.097 4.363 -0.531 . . . 1.0 . . . . . . . . . . . . A . 12 TYR CG . . . . . . . . . rr_2dx4 1 . 10 . 2847 . 1 1 12 TYR CZ C -0.057 4.065 2.029 . . . 1.0 . . . . . . . . . . . . A . 12 TYR CZ . . . . . . . . . rr_2dx4 1 . 10 . 2848 . 1 1 12 TYR H H -2.196 5.659 -3.965 . . . 1.0 . . . . . . . . . . . . A . 12 TYR H . . . . . . . . . rr_2dx4 1 . 10 . 2849 . 1 1 12 TYR HA H 0.302 5.185 -2.685 . . . 1.0 . . . . . . . . . . . . A . 12 TYR HA . . . . . . . . . rr_2dx4 1 . 10 . 2850 . 1 1 12 TYR HB2 H -2.326 5.397 -1.955 . . . 1.0 . . . . . . . . . . . . A . 12 TYR HB2 . . . . . . . . . rr_2dx4 1 . 10 . 2851 . 1 1 12 TYR HB3 H -2.285 3.659 -2.175 . . . 1.0 . . . . . . . . . . . . A . 12 TYR HB3 . . . . . . . . . rr_2dx4 1 . 10 . 2852 . 1 1 12 TYR HD1 H -0.438 2.352 -0.876 . . . 1.0 . . . . . . . . . . . . A . 12 TYR HD1 . . . . . . . . . rr_2dx4 1 . 10 . 2853 . 1 1 12 TYR HD2 H -1.647 6.343 0.081 . . . 1.0 . . . . . . . . . . . . A . 12 TYR HD2 . . . . . . . . . rr_2dx4 1 . 10 . 2854 . 1 1 12 TYR HE1 H 0.511 2.086 1.468 . . . 1.0 . . . . . . . . . . . . A . 12 TYR HE1 . . . . . . . . . rr_2dx4 1 . 10 . 2855 . 1 1 12 TYR HE2 H -0.694 6.063 2.421 . . . 1.0 . . . . . . . . . . . . A . 12 TYR HE2 . . . . . . . . . rr_2dx4 1 . 10 . 2856 . 1 1 12 TYR HH H 1.033 4.700 3.507 . . . 1.0 . . . . . . . . . . . . A . 12 TYR HH . . . . . . . . . rr_2dx4 1 . 10 . 2857 . 1 1 12 TYR N N -1.209 5.524 -4.055 . . . 1.0 . . . . . . . . . . . . A . 12 TYR N . . . . . . . . . rr_2dx4 1 . 10 . 2858 . 1 1 12 TYR O O 0.367 2.500 -2.891 . . . 1.0 . . . . . . . . . . . . A . 12 TYR O . . . . . . . . . rr_2dx4 1 . 10 . 2859 . 1 1 12 TYR OH O 0.452 3.919 3.281 . . . 1.0 . . . . . . . . . . . . A . 12 TYR OH . . . . . . . . . rr_2dx4 1 . 10 . 2860 . 1 1 13 ILE C C 1.046 1.360 -5.126 . . . 1.0 . . . . . . . . . . . . A . 13 ILE C . . . . . . . . . rr_2dx4 1 . 10 . 2861 . 1 1 13 ILE CA C -0.369 1.820 -5.484 . . . 1.0 . . . . . . . . . . . . A . 13 ILE CA . . . . . . . . . rr_2dx4 1 . 10 . 2862 . 1 1 13 ILE CB C -0.616 1.931 -6.990 . . . 1.0 . . . . . . . . . . . . A . 13 ILE CB . . . . . . . . . rr_2dx4 1 . 10 . 2863 . 1 1 13 ILE CD1 C 1.186 0.293 -7.645 . . . 1.0 . . . . . . . . . . . . A . 13 ILE CD1 . . . . . . . . . rr_2dx4 1 . 10 . 2864 . 1 1 13 ILE CG1 C -0.311 0.608 -7.695 . . . 1.0 . . . . . . . . . . . . A . 13 ILE CG1 . . . . . . . . . rr_2dx4 1 . 10 . 2865 . 1 1 13 ILE CG2 C 0.173 3.097 -7.590 . . . 1.0 . . . . . . . . . . . . A . 13 ILE CG2 . . . . . . . . . rr_2dx4 1 . 10 . 2866 . 1 1 13 ILE H H -1.140 3.752 -5.385 . . . 1.0 . . . . . . . . . . . . A . 13 ILE H . . . . . . . . . rr_2dx4 1 . 10 . 2867 . 1 1 13 ILE HA H -1.078 1.090 -5.094 . . . 1.0 . . . . . . . . . . . . A . 13 ILE HA . . . . . . . . . rr_2dx4 1 . 10 . 2868 . 1 1 13 ILE HB H -1.674 2.144 -7.147 . . . 1.0 . . . . . . . . . . . . A . 13 ILE HB . . . . . . . . . rr_2dx4 1 . 10 . 2869 . 1 1 13 ILE HD11 H 1.751 1.223 -7.587 . . . 1.0 . . . . . . . . . . . . A . 13 ILE HD11 . . . . . . . . . rr_2dx4 1 . 10 . 2870 . 1 1 13 ILE HD12 H 1.399 -0.317 -6.767 . . . 1.0 . . . . . . . . . . . . A . 13 ILE HD12 . . . . . . . . . rr_2dx4 1 . 10 . 2871 . 1 1 13 ILE HD13 H 1.472 -0.252 -8.544 . . . 1.0 . . . . . . . . . . . . A . 13 ILE HD13 . . . . . . . . . rr_2dx4 1 . 10 . 2872 . 1 1 13 ILE HG12 H -0.872 -0.198 -7.222 . . . 1.0 . . . . . . . . . . . . A . 13 ILE HG12 . . . . . . . . . rr_2dx4 1 . 10 . 2873 . 1 1 13 ILE HG13 H -0.640 0.661 -8.732 . . . 1.0 . . . . . . . . . . . . A . 13 ILE HG13 . . . . . . . . . rr_2dx4 1 . 10 . 2874 . 1 1 13 ILE HG21 H 0.218 2.985 -8.674 . . . 1.0 . . . . . . . . . . . . A . 13 ILE HG21 . . . . . . . . . rr_2dx4 1 . 10 . 2875 . 1 1 13 ILE HG22 H -0.321 4.036 -7.342 . . . 1.0 . . . . . . . . . . . . A . 13 ILE HG22 . . . . . . . . . rr_2dx4 1 . 10 . 2876 . 1 1 13 ILE HG23 H 1.184 3.099 -7.183 . . . 1.0 . . . . . . . . . . . . A . 13 ILE HG23 . . . . . . . . . rr_2dx4 1 . 10 . 2877 . 1 1 13 ILE N N -0.642 3.087 -4.828 . . . 1.0 . . . . . . . . . . . . A . 13 ILE N . . . . . . . . . rr_2dx4 1 . 10 . 2878 . 1 1 13 ILE O O 2.027 1.960 -5.563 . . . 1.0 . . . . . . . . . . . . A . 13 ILE O . . . . . . . . . rr_2dx4 1 . 10 . 2879 . 1 1 14 VAL C C 2.272 -1.770 -3.804 . . . 1.0 . . . . . . . . . . . . A . 14 VAL C . . . . . . . . . rr_2dx4 1 . 10 . 2880 . 1 1 14 VAL CA C 2.384 -0.248 -3.912 . . . 1.0 . . . . . . . . . . . . A . 14 VAL CA . . . . . . . . . rr_2dx4 1 . 10 . 2881 . 1 1 14 VAL CB C 2.831 0.413 -2.606 . . . 1.0 . . . . . . . . . . . . A . 14 VAL CB . . . . . . . . . rr_2dx4 1 . 10 . 2882 . 1 1 14 VAL CG1 C 2.290 -0.348 -1.394 . . . 1.0 . . . . . . . . . . . . A . 14 VAL CG1 . . . . . . . . . rr_2dx4 1 . 10 . 2883 . 1 1 14 VAL CG2 C 4.355 0.530 -2.544 . . . 1.0 . . . . . . . . . . . . A . 14 VAL CG2 . . . . . . . . . rr_2dx4 1 . 10 . 2884 . 1 1 14 VAL H H 0.304 -0.183 -3.983 . . . 1.0 . . . . . . . . . . . . A . 14 VAL H . . . . . . . . . rr_2dx4 1 . 10 . 2885 . 1 1 14 VAL HA H 3.117 -0.004 -4.681 . . . 1.0 . . . . . . . . . . . . A . 14 VAL HA . . . . . . . . . rr_2dx4 1 . 10 . 2886 . 1 1 14 VAL HB H 2.416 1.420 -2.581 . . . 1.0 . . . . . . . . . . . . A . 14 VAL HB . . . . . . . . . rr_2dx4 1 . 10 . 2887 . 1 1 14 VAL HG11 H 1.432 -0.949 -1.696 . . . 1.0 . . . . . . . . . . . . A . 14 VAL HG11 . . . . . . . . . rr_2dx4 1 . 10 . 2888 . 1 1 14 VAL HG12 H 3.068 -1.000 -0.996 . . . 1.0 . . . . . . . . . . . . A . 14 VAL HG12 . . . . . . . . . rr_2dx4 1 . 10 . 2889 . 1 1 14 VAL HG13 H 1.983 0.362 -0.626 . . . 1.0 . . . . . . . . . . . . A . 14 VAL HG13 . . . . . . . . . rr_2dx4 1 . 10 . 2890 . 1 1 14 VAL HG21 H 4.629 1.519 -2.177 . . . 1.0 . . . . . . . . . . . . A . 14 VAL HG21 . . . . . . . . . rr_2dx4 1 . 10 . 2891 . 1 1 14 VAL HG22 H 4.751 -0.230 -1.870 . . . 1.0 . . . . . . . . . . . . A . 14 VAL HG22 . . . . . . . . . rr_2dx4 1 . 10 . 2892 . 1 1 14 VAL HG23 H 4.772 0.384 -3.541 . . . 1.0 . . . . . . . . . . . . A . 14 VAL HG23 . . . . . . . . . rr_2dx4 1 . 10 . 2893 . 1 1 14 VAL N N 1.106 0.299 -4.334 . . . 1.0 . . . . . . . . . . . . A . 14 VAL N . . . . . . . . . rr_2dx4 1 . 10 . 2894 . 1 1 14 VAL O O 1.388 -2.375 -4.409 . . . 1.0 . . . . . . . . . . . . A . 14 VAL O . . . . . . . . . rr_2dx4 1 . 10 . 2895 . 1 1 15 HIS C C 4.086 -4.133 -1.641 . . . 1.0 . . . . . . . . . . . . A . 15 HIS C . . . . . . . . . rr_2dx4 1 . 10 . 2896 . 1 1 15 HIS CA C 3.194 -3.785 -2.835 . . . 1.0 . . . . . . . . . . . . A . 15 HIS CA . . . . . . . . . rr_2dx4 1 . 10 . 2897 . 1 1 15 HIS CB C 3.615 -4.503 -4.118 . . . 1.0 . . . . . . . . . . . . A . 15 HIS CB . . . . . . . . . rr_2dx4 1 . 10 . 2898 . 1 1 15 HIS CD2 C 4.228 -2.551 -5.745 . . . 1.0 . . . . . . . . . . . . A . 15 HIS CD2 . . . . . . . . . rr_2dx4 1 . 10 . 2899 . 1 1 15 HIS CE1 C 2.763 -2.979 -7.312 . . . 1.0 . . . . . . . . . . . . A . 15 HIS CE1 . . . . . . . . . rr_2dx4 1 . 10 . 2900 . 1 1 15 HIS CG C 3.517 -3.649 -5.360 . . . 1.0 . . . . . . . . . . . . A . 15 HIS CG . . . . . . . . . rr_2dx4 1 . 10 . 2901 . 1 1 15 HIS H H 3.895 -1.845 -2.541 . . . 1.0 . . . . . . . . . . . . A . 15 HIS H . . . . . . . . . rr_2dx4 1 . 10 . 2902 . 1 1 15 HIS HA H 2.169 -4.080 -2.610 . . . 1.0 . . . . . . . . . . . . A . 15 HIS HA . . . . . . . . . rr_2dx4 1 . 10 . 2903 . 1 1 15 HIS HB2 H 4.643 -4.849 -4.008 . . . 1.0 . . . . . . . . . . . . A . 15 HIS HB2 . . . . . . . . . rr_2dx4 1 . 10 . 2904 . 1 1 15 HIS HB3 H 2.993 -5.388 -4.248 . . . 1.0 . . . . . . . . . . . . A . 15 HIS HB3 . . . . . . . . . rr_2dx4 1 . 10 . 2905 . 1 1 15 HIS HD1 H 1.930 -4.636 -6.381 . . . 1.0 . . . . . . . . . . . . A . 15 HIS HD1 . . . . . . . . . rr_2dx4 1 . 10 . 2906 . 1 1 15 HIS HD2 H 5.035 -2.083 -5.179 . . . 1.0 . . . . . . . . . . . . A . 15 HIS HD2 . . . . . . . . . rr_2dx4 1 . 10 . 2907 . 1 1 15 HIS HE1 H 2.190 -2.903 -8.236 . . . 1.0 . . . . . . . . . . . . A . 15 HIS HE1 . . . . . . . . . rr_2dx4 1 . 10 . 2908 . 1 1 15 HIS HE2 H 4.075 -1.331 -7.416 . . . 1.0 . . . . . . . . . . . . A . 15 HIS HE2 . . . . . . . . . rr_2dx4 1 . 10 . 2909 . 1 1 15 HIS N N 3.180 -2.345 -3.029 . . . 1.0 . . . . . . . . . . . . A . 15 HIS N . . . . . . . . . rr_2dx4 1 . 10 . 2910 . 1 1 15 HIS ND1 N 2.601 -3.894 -6.368 . . . 1.0 . . . . . . . . . . . . A . 15 HIS ND1 . . . . . . . . . rr_2dx4 1 . 10 . 2911 . 1 1 15 HIS NE2 N 3.773 -2.148 -6.924 . . . 1.0 . . . . . . . . . . . . A . 15 HIS NE2 . . . . . . . . . rr_2dx4 1 . 10 . 2912 . 1 1 15 HIS O O 5.011 -4.934 -1.765 . . . 1.0 . . . . . . . . . . . . A . 15 HIS O . . . . . . . . . rr_2dx4 1 . 10 . 2913 . 1 1 16 TRP C C 4.196 -5.148 1.213 . . . 1.0 . . . . . . . . . . . . A . 16 TRP C . . . . . . . . . rr_2dx4 1 . 10 . 2914 . 1 1 16 TRP CA C 4.538 -3.747 0.703 . . . 1.0 . . . . . . . . . . . . A . 16 TRP CA . . . . . . . . . rr_2dx4 1 . 10 . 2915 . 1 1 16 TRP CB C 4.270 -2.652 1.738 . . . 1.0 . . . . . . . . . . . . A . 16 TRP CB . . . . . . . . . rr_2dx4 1 . 10 . 2916 . 1 1 16 TRP CD1 C 3.628 -0.205 1.229 . . . 1.0 . . . . . . . . . . . . A . 16 TRP CD1 . . . . . . . . . rr_2dx4 1 . 10 . 2917 . 1 1 16 TRP CD2 C 5.685 -0.721 0.588 . . . 1.0 . . . . . . . . . . . . A . 16 TRP CD2 . . . . . . . . . rr_2dx4 1 . 10 . 2918 . 1 1 16 TRP CE2 C 5.471 0.603 0.261 . . . 1.0 . . . . . . . . . . . . A . 16 TRP CE2 . . . . . . . . . rr_2dx4 1 . 10 . 2919 . 1 1 16 TRP CE3 C 6.908 -1.356 0.310 . . . 1.0 . . . . . . . . . . . . A . 16 TRP CE3 . . . . . . . . . rr_2dx4 1 . 10 . 2920 . 1 1 16 TRP CG C 4.488 -1.232 1.212 . . . 1.0 . . . . . . . . . . . . A . 16 TRP CG . . . . . . . . . rr_2dx4 1 . 10 . 2921 . 1 1 16 TRP CH2 C 7.661 0.793 -0.649 . . . 1.0 . . . . . . . . . . . . A . 16 TRP CH2 . . . . . . . . . rr_2dx4 1 . 10 . 2922 . 1 1 16 TRP CZ2 C 6.435 1.404 -0.362 . . . 1.0 . . . . . . . . . . . . A . 16 TRP CZ2 . . . . . . . . . rr_2dx4 1 . 10 . 2923 . 1 1 16 TRP CZ3 C 7.861 -0.541 -0.314 . . . 1.0 . . . . . . . . . . . . A . 16 TRP CZ3 . . . . . . . . . rr_2dx4 1 . 10 . 2924 . 1 1 16 TRP H H 3.022 -2.863 -0.419 . . . 1.0 . . . . . . . . . . . . A . 16 TRP H . . . . . . . . . rr_2dx4 1 . 10 . 2925 . 1 1 16 TRP HA H 5.597 -3.691 0.449 . . . 1.0 . . . . . . . . . . . . A . 16 TRP HA . . . . . . . . . rr_2dx4 1 . 10 . 2926 . 1 1 16 TRP HB2 H 3.243 -2.744 2.091 . . . 1.0 . . . . . . . . . . . . A . 16 TRP HB2 . . . . . . . . . rr_2dx4 1 . 10 . 2927 . 1 1 16 TRP HB3 H 4.918 -2.814 2.599 . . . 1.0 . . . . . . . . . . . . A . 16 TRP HB3 . . . . . . . . . rr_2dx4 1 . 10 . 2928 . 1 1 16 TRP HD1 H 2.619 -0.256 1.637 . . . 1.0 . . . . . . . . . . . . A . 16 TRP HD1 . . . . . . . . . rr_2dx4 1 . 10 . 2929 . 1 1 16 TRP HE1 H 3.694 1.895 0.552 . . . 1.0 . . . . . . . . . . . . A . 16 TRP HE1 . . . . . . . . . rr_2dx4 1 . 10 . 2930 . 1 1 16 TRP HE3 H 7.102 -2.399 0.558 . . . 1.0 . . . . . . . . . . . . A . 16 TRP HE3 . . . . . . . . . rr_2dx4 1 . 10 . 2931 . 1 1 16 TRP HH2 H 8.455 1.360 -1.134 . . . 1.0 . . . . . . . . . . . . A . 16 TRP HH2 . . . . . . . . . rr_2dx4 1 . 10 . 2932 . 1 1 16 TRP HZ2 H 6.241 2.447 -0.611 . . . 1.0 . . . . . . . . . . . . A . 16 TRP HZ2 . . . . . . . . . rr_2dx4 1 . 10 . 2933 . 1 1 16 TRP HZ3 H 8.828 -0.984 -0.552 . . . 1.0 . . . . . . . . . . . . A . 16 TRP HZ3 . . . . . . . . . rr_2dx4 1 . 10 . 2934 . 1 1 16 TRP N N 3.776 -3.513 -0.512 . . . 1.0 . . . . . . . . . . . . A . 16 TRP N . . . . . . . . . rr_2dx4 1 . 10 . 2935 . 1 1 16 TRP NE1 N 4.180 0.926 0.663 . . . 1.0 . . . . . . . . . . . . A . 16 TRP NE1 . . . . . . . . . rr_2dx4 1 . 10 . 2936 . 1 1 16 TRP O O 3.689 -5.979 0.462 . . . 1.0 . . . . . . . . . . . . A . 16 TRP O . . . . . . . . . rr_2dx4 1 . 10 . 2937 . 1 1 17 THR C C 4.155 -6.510 4.628 . . . 1.0 . . . . . . . . . . . . A . 17 THR C . . . . . . . . . rr_2dx4 1 . 10 . 2938 . 1 1 17 THR CA C 4.217 -6.653 3.106 . . . 1.0 . . . . . . . . . . . . A . 17 THR CA . . . . . . . . . rr_2dx4 1 . 10 . 2939 . 1 1 17 THR CB C 5.286 -7.640 2.633 . . . 1.0 . . . . . . . . . . . . A . 17 THR CB . . . . . . . . . rr_2dx4 1 . 10 . 2940 . 1 1 17 THR CG2 C 5.130 -8.007 1.155 . . . 1.0 . . . . . . . . . . . . A . 17 THR CG2 . . . . . . . . . rr_2dx4 1 . 10 . 2941 . 1 1 17 THR H H 4.900 -4.685 3.092 . . . 1.0 . . . . . . . . . . . . A . 17 THR H . . . . . . . . . rr_2dx4 1 . 10 . 2942 . 1 1 17 THR HA H 3.236 -6.994 2.777 . . . 1.0 . . . . . . . . . . . . A . 17 THR HA . . . . . . . . . rr_2dx4 1 . 10 . 2943 . 1 1 17 THR HB H 5.296 -8.533 3.257 . . . 1.0 . . . . . . . . . . . . A . 17 THR HB . . . . . . . . . rr_2dx4 1 . 10 . 2944 . 1 1 17 THR HG1 H 7.280 -7.494 2.535 . . . 1.0 . . . . . . . . . . . . A . 17 THR HG1 . . . . . . . . . rr_2dx4 1 . 10 . 2945 . 1 1 17 THR HG21 H 4.071 -8.101 0.914 . . . 1.0 . . . . . . . . . . . . A . 17 THR HG21 . . . . . . . . . rr_2dx4 1 . 10 . 2946 . 1 1 17 THR HG22 H 5.576 -7.228 0.538 . . . 1.0 . . . . . . . . . . . . A . 17 THR HG22 . . . . . . . . . rr_2dx4 1 . 10 . 2947 . 1 1 17 THR HG23 H 5.632 -8.956 0.962 . . . 1.0 . . . . . . . . . . . . A . 17 THR HG23 . . . . . . . . . rr_2dx4 1 . 10 . 2948 . 1 1 17 THR N N 4.488 -5.367 2.487 . . . 1.0 . . . . . . . . . . . . A . 17 THR N . . . . . . . . . rr_2dx4 1 . 10 . 2949 . 1 1 17 THR O O 4.288 -5.408 5.158 . . . 1.0 . . . . . . . . . . . . A . 17 THR O . . . . . . . . . rr_2dx4 1 . 10 . 2950 . 1 1 17 THR OG1 O 6.496 -6.889 2.677 . . . 1.0 . . . . . . . . . . . . A . 17 THR OG1 . . . . . . . . . rr_2dx4 1 . 10 . 2951 . 1 1 18 ALA C C 5.281 -7.575 7.327 . . . 1.0 . . . . . . . . . . . . A . 18 ALA C . . . . . . . . . rr_2dx4 1 . 10 . 2952 . 1 1 18 ALA CA C 3.871 -7.655 6.740 . . . 1.0 . . . . . . . . . . . . A . 18 ALA CA . . . . . . . . . rr_2dx4 1 . 10 . 2953 . 1 1 18 ALA CB C 3.119 -8.906 7.197 . . . 1.0 . . . . . . . . . . . . A . 18 ALA CB . . . . . . . . . rr_2dx4 1 . 10 . 2954 . 1 1 18 ALA H H 3.845 -8.533 4.851 . . . 1.0 . . . . . . . . . . . . A . 18 ALA H . . . . . . . . . rr_2dx4 1 . 10 . 2955 . 1 1 18 ALA HA H 3.307 -6.774 7.049 . . . 1.0 . . . . . . . . . . . . A . 18 ALA HA . . . . . . . . . rr_2dx4 1 . 10 . 2956 . 1 1 18 ALA HB1 H 2.056 -8.790 6.984 . . . 1.0 . . . . . . . . . . . . A . 18 ALA HB1 . . . . . . . . . rr_2dx4 1 . 10 . 2957 . 1 1 18 ALA HB2 H 3.503 -9.776 6.663 . . . 1.0 . . . . . . . . . . . . A . 18 ALA HB2 . . . . . . . . . rr_2dx4 1 . 10 . 2958 . 1 1 18 ALA HB3 H 3.262 -9.045 8.268 . . . 1.0 . . . . . . . . . . . . A . 18 ALA HB3 . . . . . . . . . rr_2dx4 1 . 10 . 2959 . 1 1 18 ALA N N 3.952 -7.640 5.289 . . . 1.0 . . . . . . . . . . . . A . 18 ALA N . . . . . . . . . rr_2dx4 1 . 10 . 2960 . 1 1 18 ALA O O 5.599 -8.277 8.286 . . . 1.0 . . . . . . . . . . . . A . 18 ALA O . . . . . . . . . rr_2dx4 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_2dx4 _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 2dx4.mr . . 'MR format' 1 comment 'Not applicable' 'Not applicable' 0 rr_2dx4 1 1 2dx4.mr . . unknown 2 'chemical shift' 'Not applicable' 'Not applicable' 0 rr_2dx4 1 1 2dx4.mr . . XPLOR/CNS 3 peak 'Not applicable' 'Not applicable' 0 rr_2dx4 1 1 2dx4.mr . . DYANA/DIANA 4 distance NOE simple 255 rr_2dx4 1 1 2dx4.mr . . 'MR format' 5 'nomenclature mapping' 'Not applicable' 'Not applicable' 0 rr_2dx4 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_2dx4 _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_2dx4 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 . . . . . . . 3.36 . . . . . A . 1 ILE HA . . A . 1 ILE HB . . . 1 ILE HA . . . . . 1 ILE HB . . rr_2dx4 1 2 1 . . 1 1 1 1 ILE HA H . . . 1 1 1 1 ILE MG H . . . . . . . 5.38 . . . . . A . 1 ILE HA . . A . 1 ILE MG . . . 1 ILE HA . . . . . 1 ILE QG2 . . rr_2dx4 1 3 1 . . 1 1 1 1 ILE HA H . . . 1 1 1 1 ILE HG12 H . . . . . . . 4.91 . . . . . A . 1 ILE HA . . A . 1 ILE HG12 . . . 1 ILE HA . . . . . 1 ILE HG12 . . rr_2dx4 1 4 1 . . 1 1 1 1 ILE HA H . . . 1 1 1 1 ILE HG13 H . . . . . . . 4.76 . . . . . A . 1 ILE HA . . A . 1 ILE HG13 . . . 1 ILE HA . . . . . 1 ILE HG13 . . rr_2dx4 1 5 1 . . 1 1 1 1 ILE HA H . . . 1 1 1 1 ILE MD H . . . . . . . 5.75 . . . . . A . 1 ILE HA . . A . 1 ILE MD . . . 1 ILE HA . . . . . 1 ILE QD1 . . rr_2dx4 1 6 1 . . 1 1 1 1 ILE HA H . . . 1 1 2 2 ASN H H . . . . . . . 2.83 . . . . . A . 1 ILE HA . . A . 2 ASN H . . . 1 ILE HA . . . . . 2 ASN HN . . rr_2dx4 1 7 1 . . 1 1 1 1 ILE HB H . . . 1 1 1 1 ILE MG H . . . . . . . 4.54 . . . . . A . 1 ILE HB . . A . 1 ILE MG . . . 1 ILE HB . . . . . 1 ILE QG2 . . rr_2dx4 1 8 1 . . 1 1 1 1 ILE HB H . . . 1 1 1 1 ILE HG12 H . . . . . . . 4.26 . . . . . A . 1 ILE HB . . A . 1 ILE HG12 . . . 1 ILE HB . . . . . 1 ILE HG12 . . rr_2dx4 1 9 1 . . 1 1 1 1 ILE HB H . . . 1 1 1 1 ILE HG13 H . . . . . . . 2.83 . . . . . A . 1 ILE HB . . A . 1 ILE HG13 . . . 1 ILE HB . . . . . 1 ILE HG13 . . rr_2dx4 1 10 1 . . 1 1 1 1 ILE HB H . . . 1 1 1 1 ILE MD H . . . . . . . 5.29 . . . . . A . 1 ILE HB . . A . 1 ILE MD . . . 1 ILE HB . . . . . 1 ILE QD1 . . rr_2dx4 1 11 1 . . 1 1 1 1 ILE HB H . . . 1 1 2 2 ASN H H . . . . . . . 3.86 . . . . . A . 1 ILE HB . . A . 2 ASN H . . . 1 ILE HB . . . . . 2 ASN HN . . rr_2dx4 1 12 1 . . 1 1 1 1 ILE HB H . . . 1 1 3 3 TYR QE H . . . . . . . 6.05 . . . . . A . 1 ILE HB . . A . 3 TYR QE . . . 1 ILE HB . . . . . 3 TYR QE . . rr_2dx4 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_2dx4 1 14 1 OR . 1 1 1 1 ILE MG H . . . 1 1 3 3 TYR HB2 H . . . . . . . 7.40 . . . . . A . 1 ILE MG . . A . 3 TYR HB2 . . . 1 ILE QG2 . . . . . 3 TYR QB . . rr_2dx4 1 14 2 OR . 1 1 1 1 ILE MG H . . . 1 1 3 3 TYR HB3 H . . . . . . . 7.40 . . . . . A . 1 ILE MG . . A . 3 TYR HB3 . . . 1 ILE QG2 . . . . . 3 TYR QB . . rr_2dx4 1 15 1 . . 1 1 1 1 ILE MG H . . . 1 1 3 3 TYR QD H . . . . . . . 8.67 . . . . . A . 1 ILE MG . . A . 3 TYR QD . . . 1 ILE QG2 . . . . . 3 TYR QD . . rr_2dx4 1 16 1 . . 1 1 1 1 ILE MG H . . . 1 1 3 3 TYR QE H . . . . . . . 8.66 . . . . . A . 1 ILE MG . . A . 3 TYR QE . . . 1 ILE QG2 . . . . . 3 TYR QE . . rr_2dx4 1 17 1 . . 1 1 1 1 ILE MG H . . . 1 1 18 18 ALA HA H . . . . . . . 3.52 . . . . . A . 1 ILE MG . . A . 18 ALA HA . . . 1 ILE QG2 . . . . . 18 ALA HA . . rr_2dx4 1 18 1 . . 1 1 1 1 ILE HG12 H . . . 1 1 1 1 ILE MD H . . . . . . . 4.39 . . . . . A . 1 ILE HG12 . . A . 1 ILE MD . . . 1 ILE HG12 . . . . . 1 ILE QD1 . . rr_2dx4 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_2dx4 1 20 1 . . 1 1 1 1 ILE HG13 H . . . 1 1 1 1 ILE MD H . . . . . . . 3.77 . . . . . A . 1 ILE HG13 . . A . 1 ILE MD . . . 1 ILE HG13 . . . . . 1 ILE QD1 . . rr_2dx4 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_2dx4 1 22 1 . . 1 1 1 1 ILE MD H . . . 1 1 2 2 ASN H H . . . . . . . 6.00 . . . . . A . 1 ILE MD . . A . 2 ASN H . . . 1 ILE QD1 . . . . . 2 ASN HN . . rr_2dx4 1 23 1 . . 1 1 1 1 ILE MD H . . . 1 1 3 3 TYR QD H . . . . . . . 8.67 . . . . . A . 1 ILE MD . . A . 3 TYR QD . . . 1 ILE QD1 . . . . . 3 TYR QD . . rr_2dx4 1 24 1 . . 1 1 1 1 ILE MD H . . . 1 1 3 3 TYR QE H . . . . . . . 8.60 . . . . . A . 1 ILE MD . . A . 3 TYR QE . . . 1 ILE QD1 . . . . . 3 TYR QE . . rr_2dx4 1 25 1 . . 1 1 2 2 ASN H H . . . 1 1 2 2 ASN HA H . . . . . . . 3.52 . . . . . A . 2 ASN H . . A . 2 ASN HA . . . 2 ASN HN . . . . . 2 ASN HA . . rr_2dx4 1 26 1 . . 1 1 2 2 ASN H H . . . 1 1 2 2 ASN HB2 H . . . . . . . 3.45 . . . . . A . 2 ASN H . . A . 2 ASN HB2 . . . 2 ASN HN . . . . . 2 ASN HB2 . . rr_2dx4 1 27 1 . . 1 1 2 2 ASN HA H . . . 1 1 2 2 ASN HB2 H . . . . . . . 3.18 . . . . . A . 2 ASN HA . . A . 2 ASN HB2 . . . 2 ASN HA . . . . . 2 ASN HB2 . . rr_2dx4 1 28 1 . . 1 1 2 2 ASN HA H . . . 1 1 2 2 ASN HB3 H . . . . . . . 3.08 . . . . . A . 2 ASN HA . . A . 2 ASN HB3 . . . 2 ASN HA . . . . . 2 ASN HB3 . . rr_2dx4 1 29 1 . . 1 1 2 2 ASN HA H . . . 1 1 2 2 ASN HD21 H . . . . . . . 5.28 . . . . . A . 2 ASN HA . . A . 2 ASN HD21 . . . 2 ASN HA . . . . . 2 ASN HD21 . . rr_2dx4 1 30 1 . . 1 1 2 2 ASN HA H . . . 1 1 2 2 ASN HD22 H . . . . . . . 5.22 . . . . . A . 2 ASN HA . . A . 2 ASN HD22 . . . 2 ASN HA . . . . . 2 ASN HD22 . . rr_2dx4 1 31 1 . . 1 1 2 2 ASN HA H . . . 1 1 3 3 TYR H H . . . . . . . 2.77 . . . . . A . 2 ASN HA . . A . 3 TYR H . . . 2 ASN HA . . . . . 3 TYR HN . . rr_2dx4 1 32 1 . . 1 1 2 2 ASN HB2 H . . . 1 1 2 2 ASN HB3 H . . . . . . . 2.40 . . . . . A . 2 ASN HB2 . . A . 2 ASN HB3 . . . 2 ASN HB2 . . . . . 2 ASN HB3 . . rr_2dx4 1 33 1 . . 1 1 2 2 ASN HB2 H . . . 1 1 2 2 ASN HD21 H . . . . . . . 5.13 . . . . . A . 2 ASN HB2 . . A . 2 ASN HD21 . . . 2 ASN HB2 . . . . . 2 ASN HD21 . . rr_2dx4 1 34 1 . . 1 1 2 2 ASN HB2 H . . . 1 1 2 2 ASN HD22 H . . . . . . . 4.57 . . . . . A . 2 ASN HB2 . . A . 2 ASN HD22 . . . 2 ASN HB2 . . . . . 2 ASN HD22 . . rr_2dx4 1 35 1 . . 1 1 2 2 ASN HB3 H . . . 1 1 2 2 ASN HD21 H . . . . . . . 4.94 . . . . . A . 2 ASN HB3 . . A . 2 ASN HD21 . . . 2 ASN HB3 . . . . . 2 ASN HD21 . . rr_2dx4 1 36 1 . . 1 1 2 2 ASN HB3 H . . . 1 1 2 2 ASN HD22 H . . . . . . . 4.17 . . . . . A . 2 ASN HB3 . . A . 2 ASN HD22 . . . 2 ASN HB3 . . . . . 2 ASN HD22 . . rr_2dx4 1 37 1 . . 1 1 2 2 ASN HD21 H . . . 1 1 2 2 ASN HD22 H . . . . . . . 2.46 . . . . . A . 2 ASN HD21 . . A . 2 ASN HD22 . . . 2 ASN HD21 . . . . . 2 ASN HD22 . . rr_2dx4 1 38 1 . . 1 1 2 2 ASN HD21 H . . . 1 1 4 4 TRP HB2 H . . . . . . . 4.41 . . . . . A . 2 ASN HD21 . . A . 4 TRP HB2 . . . 2 ASN HD21 . . . . . 4 TRP HB2 . . rr_2dx4 1 39 1 . . 1 1 2 2 ASN HD22 H . . . 1 1 3 3 TYR H H . . . . . . . 5.50 . . . . . A . 2 ASN HD22 . . A . 3 TYR H . . . 2 ASN HD22 . . . . . 3 TYR HN . . rr_2dx4 1 40 1 . . 1 1 2 2 ASN HD22 H . . . 1 1 4 4 TRP HD1 H . . . . . . . 5.50 . . . . . A . 2 ASN HD22 . . A . 4 TRP HD1 . . . 2 ASN HD22 . . . . . 4 TRP HD1 . . rr_2dx4 1 41 1 . . 1 1 3 3 TYR H H . . . 1 1 3 3 TYR HA H . . . . . . . 3.36 . . . . . A . 3 TYR H . . A . 3 TYR HA . . . 3 TYR HN . . . . . 3 TYR HA . . rr_2dx4 1 42 1 OR . 1 1 3 3 TYR H H . . . 1 1 3 3 TYR HB2 H . . . . . . . 4.11 . . . . . A . 3 TYR H . . A . 3 TYR HB2 . . . 3 TYR HN . . . . . 3 TYR QB . . rr_2dx4 1 42 2 OR . 1 1 3 3 TYR HB3 H . . . 1 1 3 3 TYR H H . . . . . . . 4.11 . . . . . A . 3 TYR HB3 . . A . 3 TYR H . . . 3 TYR QB . . . . . 3 TYR HN . . rr_2dx4 1 43 1 . . 1 1 3 3 TYR QD H . . . 1 1 3 3 TYR H H . . . . . . . 7.64 . . . . . A . 3 TYR QD . . A . 3 TYR H . . . 3 TYR QD . . . . . 3 TYR HN . . rr_2dx4 1 44 1 . . 1 1 3 3 TYR QE H . . . 1 1 3 3 TYR H H . . . . . . . 7.63 . . . . . A . 3 TYR QE . . A . 3 TYR H . . . 3 TYR QE . . . . . 3 TYR HN . . rr_2dx4 1 45 1 OR . 1 1 3 3 TYR HA H . . . 1 1 3 3 TYR HB2 H . . . . . . . 4.05 . . . . . A . 3 TYR HA . . A . 3 TYR HB2 . . . 3 TYR HA . . . . . 3 TYR QB . . rr_2dx4 1 45 2 OR . 1 1 3 3 TYR HB3 H . . . 1 1 3 3 TYR HA H . . . . . . . 4.05 . . . . . A . 3 TYR HB3 . . A . 3 TYR HA . . . 3 TYR QB . . . . . 3 TYR HA . . rr_2dx4 1 46 1 . . 1 1 3 3 TYR QD H . . . 1 1 3 3 TYR HA H . . . . . . . 6.83 . . . . . A . 3 TYR QD . . A . 3 TYR HA . . . 3 TYR QD . . . . . 3 TYR HA . . rr_2dx4 1 47 1 . . 1 1 3 3 TYR QE H . . . 1 1 3 3 TYR HA H . . . . . . . 7.63 . . . . . A . 3 TYR QE . . A . 3 TYR HA . . . 3 TYR QE . . . . . 3 TYR HA . . rr_2dx4 1 48 1 . . 1 1 3 3 TYR HA H . . . 1 1 4 4 TRP H H . . . . . . . 3.24 . . . . . A . 3 TYR HA . . A . 4 TRP H . . . 3 TYR HA . . . . . 4 TRP HN . . rr_2dx4 1 49 1 OR . 1 1 3 3 TYR QD H . . . 1 1 3 3 TYR HB2 H . . . . . . . 7.06 . . . . . A . 3 TYR QD . . A . 3 TYR HB2 . . . 3 TYR QD . . . . . 3 TYR QB . . rr_2dx4 1 49 2 OR . 1 1 3 3 TYR HB3 H . . . 1 1 3 3 TYR QD H . . . . . . . 7.06 . . . . . A . 3 TYR HB3 . . A . 3 TYR QD . . . 3 TYR QB . . . . . 3 TYR QD . . rr_2dx4 1 50 1 OR . 1 1 3 3 TYR QE H . . . 1 1 3 3 TYR HB2 H . . . . . . . 8.38 . . . . . A . 3 TYR QE . . A . 3 TYR HB2 . . . 3 TYR QE . . . . . 3 TYR QB . . rr_2dx4 1 50 2 OR . 1 1 3 3 TYR QE H . . . 1 1 3 3 TYR HB3 H . . . . . . . 8.38 . . . . . A . 3 TYR QE . . A . 3 TYR HB3 . . . 3 TYR QE . . . . . 3 TYR QB . . rr_2dx4 1 51 1 OR . 1 1 4 4 TRP H H . . . 1 1 3 3 TYR HB2 H . . . . . . . 4.55 . . . . . A . 4 TRP H . . A . 3 TYR HB2 . . . 4 TRP HN . . . . . 3 TYR QB . . rr_2dx4 1 51 2 OR . 1 1 3 3 TYR HB3 H . . . 1 1 4 4 TRP H H . . . . . . . 4.55 . . . . . A . 3 TYR HB3 . . A . 4 TRP H . . . 3 TYR QB . . . . . 4 TRP HN . . rr_2dx4 1 52 1 OR . 1 1 5 5 LEU MD1 H . . . 1 1 3 3 TYR HB2 H . . . . . . . 7.40 . . . . . A . 5 LEU MD1 . . A . 3 TYR HB2 . . . 5 LEU QD1 . . . . . 3 TYR QB . . rr_2dx4 1 52 2 OR . 1 1 3 3 TYR HB3 H . . . 1 1 5 5 LEU MD1 H . . . . . . . 7.40 . . . . . A . 3 TYR HB3 . . A . 5 LEU MD1 . . . 3 TYR QB . . . . . 5 LEU QD1 . . rr_2dx4 1 53 1 OR . 1 1 14 14 VAL MG1 H . . . 1 1 3 3 TYR HB2 H . . . . . . . 7.40 . . . . . A . 14 VAL MG1 . . A . 3 TYR HB2 . . . 14 VAL QG1 . . . . . 3 TYR QB . . rr_2dx4 1 53 2 OR . 1 1 3 3 TYR HB3 H . . . 1 1 14 14 VAL MG1 H . . . . . . . 7.40 . . . . . A . 3 TYR HB3 . . A . 14 VAL MG1 . . . 3 TYR QB . . . . . 14 VAL QG1 . . rr_2dx4 1 54 1 . . 1 1 3 3 TYR QE H . . . 1 1 3 3 TYR QD H . . . . . . . 7.29 . . . . . A . 3 TYR QE . . A . 3 TYR QD . . . 3 TYR QE . . . . . 3 TYR QD . . rr_2dx4 1 55 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_2dx4 1 56 1 . . 1 1 3 3 TYR QE H . . . 1 1 4 4 TRP H H . . . . . . . 7.63 . . . . . A . 3 TYR QE . . A . 4 TRP H . . . 3 TYR QE . . . . . 4 TRP HN . . rr_2dx4 1 57 1 . . 1 1 3 3 TYR QE H . . . 1 1 16 16 TRP HD1 H . . . . . . . 6.73 . . . . . A . 3 TYR QE . . A . 16 TRP HD1 . . . 3 TYR QE . . . . . 16 TRP HD1 . . rr_2dx4 1 58 1 . . 1 1 4 4 TRP HB2 H . . . 1 1 4 4 TRP H H . . . . . . . 3.14 . . . . . A . 4 TRP HB2 . . A . 4 TRP H . . . 4 TRP HB2 . . . . . 4 TRP HN . . rr_2dx4 1 59 1 . . 1 1 4 4 TRP H H . . . 1 1 4 4 TRP HB3 H . . . . . . . 3.30 . . . . . A . 4 TRP H . . A . 4 TRP HB3 . . . 4 TRP HN . . . . . 4 TRP HB3 . . rr_2dx4 1 60 1 . . 1 1 4 4 TRP H H . . . 1 1 4 4 TRP HE3 H . . . . . . . 5.22 . . . . . A . 4 TRP H . . A . 4 TRP HE3 . . . 4 TRP HN . . . . . 4 TRP HE3 . . rr_2dx4 1 61 1 . . 1 1 4 4 TRP H H . . . 1 1 16 16 TRP HD1 H . . . . . . . 5.50 . . . . . A . 4 TRP H . . A . 16 TRP HD1 . . . 4 TRP HN . . . . . 16 TRP HD1 . . rr_2dx4 1 62 1 . . 1 1 4 4 TRP HB3 H . . . 1 1 4 4 TRP HA H . . . . . . . 2.96 . . . . . A . 4 TRP HB3 . . A . 4 TRP HA . . . 4 TRP HB3 . . . . . 4 TRP HA . . rr_2dx4 1 63 1 . . 1 1 4 4 TRP HD1 H . . . 1 1 4 4 TRP HA H . . . . . . . 4.38 . . . . . A . 4 TRP HD1 . . A . 4 TRP HA . . . 4 TRP HD1 . . . . . 4 TRP HA . . rr_2dx4 1 64 1 . . 1 1 4 4 TRP HA H . . . 1 1 14 14 VAL MG2 H . . . . . . . 6.22 . . . . . A . 4 TRP HA . . A . 14 VAL MG2 . . . 4 TRP HA . . . . . 14 VAL QG2 . . rr_2dx4 1 65 1 . . 1 1 16 16 TRP HD1 H . . . 1 1 4 4 TRP HA H . . . . . . . 5.22 . . . . . A . 16 TRP HD1 . . A . 4 TRP HA . . . 16 TRP HD1 . . . . . 4 TRP HA . . rr_2dx4 1 66 1 . . 1 1 4 4 TRP HB2 H . . . 1 1 4 4 TRP HD1 H . . . . . . . 3.73 . . . . . A . 4 TRP HB2 . . A . 4 TRP HD1 . . . 4 TRP HB2 . . . . . 4 TRP HD1 . . rr_2dx4 1 67 1 . . 1 1 4 4 TRP HB2 H . . . 1 1 4 4 TRP HE3 H . . . . . . . 2.77 . . . . . A . 4 TRP HB2 . . A . 4 TRP HE3 . . . 4 TRP HB2 . . . . . 4 TRP HE3 . . rr_2dx4 1 68 1 . . 1 1 4 4 TRP HB2 H . . . 1 1 5 5 LEU H H . . . . . . . 3.58 . . . . . A . 4 TRP HB2 . . A . 5 LEU H . . . 4 TRP HB2 . . . . . 5 LEU HN . . rr_2dx4 1 69 1 . . 1 1 4 4 TRP HD1 H . . . 1 1 4 4 TRP HB3 H . . . . . . . 3.86 . . . . . A . 4 TRP HD1 . . A . 4 TRP HB3 . . . 4 TRP HD1 . . . . . 4 TRP HB3 . . rr_2dx4 1 70 1 . . 1 1 4 4 TRP HB3 H . . . 1 1 5 5 LEU H H . . . . . . . 3.61 . . . . . A . 4 TRP HB3 . . A . 5 LEU H . . . 4 TRP HB3 . . . . . 5 LEU HN . . rr_2dx4 1 71 1 . . 1 1 4 4 TRP HD1 H . . . 1 1 4 4 TRP HE3 H . . . . . . . 5.10 . . . . . A . 4 TRP HD1 . . A . 4 TRP HE3 . . . 4 TRP HD1 . . . . . 4 TRP HE3 . . rr_2dx4 1 72 1 . . 1 1 4 4 TRP HD1 H . . . 1 1 4 4 TRP HE1 H . . . . . . . 3.52 . . . . . A . 4 TRP HD1 . . A . 4 TRP HE1 . . . 4 TRP HD1 . . . . . 4 TRP HE1 . . rr_2dx4 1 73 1 . . 1 1 4 4 TRP HD1 H . . . 1 1 5 5 LEU H H . . . . . . . 5.35 . . . . . A . 4 TRP HD1 . . A . 5 LEU H . . . 4 TRP HD1 . . . . . 5 LEU HN . . rr_2dx4 1 74 1 . . 1 1 4 4 TRP HD1 H . . . 1 1 6 6 ALA MB H . . . . . . . 6.53 . . . . . A . 4 TRP HD1 . . A . 6 ALA MB . . . 4 TRP HD1 . . . . . 6 ALA QB . . rr_2dx4 1 75 1 . . 1 1 4 4 TRP HD1 H . . . 1 1 15 15 HIS HA H . . . . . . . 4.38 . . . . . A . 4 TRP HD1 . . A . 15 HIS HA . . . 4 TRP HD1 . . . . . 15 HIS+ HA . . rr_2dx4 1 76 1 . . 1 1 4 4 TRP HE3 H . . . 1 1 5 5 LEU H H . . . . . . . 5.50 . . . . . A . 4 TRP HE3 . . A . 5 LEU H . . . 4 TRP HE3 . . . . . 5 LEU HN . . rr_2dx4 1 77 1 . . 1 1 4 4 TRP HE3 H . . . 1 1 6 6 ALA MB H . . . . . . . 6.53 . . . . . A . 4 TRP HE3 . . A . 6 ALA MB . . . 4 TRP HE3 . . . . . 6 ALA QB . . rr_2dx4 1 78 1 . . 1 1 4 4 TRP HE1 H . . . 1 1 4 4 TRP HZ2 H . . . . . . . 4.51 . . . . . A . 4 TRP HE1 . . A . 4 TRP HZ2 . . . 4 TRP HE1 . . . . . 4 TRP HZ2 . . rr_2dx4 1 79 1 . . 1 1 5 5 LEU H H . . . 1 1 5 5 LEU HA H . . . . . . . 3.45 . . . . . A . 5 LEU H . . A . 5 LEU HA . . . 5 LEU HN . . . . . 5 LEU HA . . rr_2dx4 1 80 1 OR . 1 1 5 5 LEU H H . . . 1 1 5 5 LEU HB2 H . . . . . . . 4.21 . . . . . A . 5 LEU H . . A . 5 LEU HB2 . . . 5 LEU HN . . . . . 5 LEU QB . . rr_2dx4 1 80 2 OR . 1 1 5 5 LEU H H . . . 1 1 5 5 LEU HB3 H . . . . . . . 4.21 . . . . . A . 5 LEU H . . A . 5 LEU HB3 . . . 5 LEU HN . . . . . 5 LEU QB . . rr_2dx4 1 81 1 . . 1 1 5 5 LEU MD1 H . . . 1 1 5 5 LEU H H . . . . . . . 5.38 . . . . . A . 5 LEU MD1 . . A . 5 LEU H . . . 5 LEU QD1 . . . . . 5 LEU HN . . rr_2dx4 1 82 1 . . 1 1 5 5 LEU H H . . . 1 1 5 5 LEU MD2 H . . . . . . . 6.53 . . . . . A . 5 LEU H . . A . 5 LEU MD2 . . . 5 LEU HN . . . . . 5 LEU QD2 . . rr_2dx4 1 83 1 OR . 1 1 5 5 LEU HA H . . . 1 1 5 5 LEU HB2 H . . . . . . . 4.24 . . . . . A . 5 LEU HA . . A . 5 LEU HB2 . . . 5 LEU HA . . . . . 5 LEU QB . . rr_2dx4 1 83 2 OR . 1 1 5 5 LEU HA H . . . 1 1 5 5 LEU HB3 H . . . . . . . 4.24 . . . . . A . 5 LEU HA . . A . 5 LEU HB3 . . . 5 LEU HA . . . . . 5 LEU QB . . rr_2dx4 1 84 1 . . 1 1 5 5 LEU MD1 H . . . 1 1 5 5 LEU HA H . . . . . . . 4.57 . . . . . A . 5 LEU MD1 . . A . 5 LEU HA . . . 5 LEU QD1 . . . . . 5 LEU HA . . rr_2dx4 1 85 1 . . 1 1 5 5 LEU HA H . . . 1 1 5 5 LEU MD2 H . . . . . . . 5.16 . . . . . A . 5 LEU HA . . A . 5 LEU MD2 . . . 5 LEU HA . . . . . 5 LEU QD2 . . rr_2dx4 1 86 1 . . 1 1 5 5 LEU HA H . . . 1 1 6 6 ALA H H . . . . . . . 3.18 . . . . . A . 5 LEU HA . . A . 6 ALA H . . . 5 LEU HA . . . . . 6 ALA HN . . rr_2dx4 1 87 1 . . 1 1 5 5 LEU HA H . . . 1 1 12 12 TYR QD H . . . . . . . 7.39 . . . . . A . 5 LEU HA . . A . 12 TYR QD . . . 5 LEU HA . . . . . 12 TYR QD . . rr_2dx4 1 88 1 . . 1 1 5 5 LEU HA H . . . 1 1 12 12 TYR QE H . . . . . . . 6.92 . . . . . A . 5 LEU HA . . A . 12 TYR QE . . . 5 LEU HA . . . . . 12 TYR QE . . rr_2dx4 1 89 1 OR . 1 1 5 5 LEU MD1 H . . . 1 1 5 5 LEU HB2 H . . . . . . . 5.33 . . . . . A . 5 LEU MD1 . . A . 5 LEU HB2 . . . 5 LEU QD1 . . . . . 5 LEU QB . . rr_2dx4 1 89 2 OR . 1 1 5 5 LEU MD1 H . . . 1 1 5 5 LEU HB3 H . . . . . . . 5.33 . . . . . A . 5 LEU MD1 . . A . 5 LEU HB3 . . . 5 LEU QD1 . . . . . 5 LEU QB . . rr_2dx4 1 90 1 OR . 1 1 5 5 LEU MD2 H . . . 1 1 5 5 LEU HB2 H . . . . . . . 5.14 . . . . . A . 5 LEU MD2 . . A . 5 LEU HB2 . . . 5 LEU QD2 . . . . . 5 LEU QB . . rr_2dx4 1 90 2 OR . 1 1 5 5 LEU HB3 H . . . 1 1 5 5 LEU MD2 H . . . . . . . 5.14 . . . . . A . 5 LEU HB3 . . A . 5 LEU MD2 . . . 5 LEU QB . . . . . 5 LEU QD2 . . rr_2dx4 1 91 1 OR . 1 1 6 6 ALA H H . . . 1 1 5 5 LEU HB2 H . . . . . . . 4.49 . . . . . A . 6 ALA H . . A . 5 LEU HB2 . . . 6 ALA HN . . . . . 5 LEU QB . . rr_2dx4 1 91 2 OR . 1 1 5 5 LEU HB3 H . . . 1 1 6 6 ALA H H . . . . . . . 4.49 . . . . . A . 5 LEU HB3 . . A . 6 ALA H . . . 5 LEU QB . . . . . 6 ALA HN . . rr_2dx4 1 92 1 OR . 1 1 7 7 HIS HD2 H . . . 1 1 5 5 LEU HB2 H . . . . . . . 6.28 . . . . . A . 7 HIS HD2 . . A . 5 LEU HB2 . . . 7 HIS+ HD2 . . . . . 5 LEU QB . . rr_2dx4 1 92 2 OR . 1 1 5 5 LEU HB3 H . . . 1 1 7 7 HIS HD2 H . . . . . . . 6.28 . . . . . A . 5 LEU HB3 . . A . 7 HIS HD2 . . . 5 LEU QB . . . . . 7 HIS+ HD2 . . rr_2dx4 1 93 1 OR . 1 1 12 12 TYR QD H . . . 1 1 5 5 LEU HB2 H . . . . . . . 8.52 . . . . . A . 12 TYR QD . . A . 5 LEU HB2 . . . 12 TYR QD . . . . . 5 LEU QB . . rr_2dx4 1 93 2 OR . 1 1 5 5 LEU HB3 H . . . 1 1 12 12 TYR QD H . . . . . . . 8.52 . . . . . A . 5 LEU HB3 . . A . 12 TYR QD . . . 5 LEU QB . . . . . 12 TYR QD . . rr_2dx4 1 94 1 . . 1 1 5 5 LEU MD1 H . . . 1 1 6 6 ALA H H . . . . . . . 4.76 . . . . . A . 5 LEU MD1 . . A . 6 ALA H . . . 5 LEU QD1 . . . . . 6 ALA HN . . rr_2dx4 1 95 1 . . 1 1 5 5 LEU MD1 H . . . 1 1 7 7 HIS HB2 H . . . . . . . 6.09 . . . . . A . 5 LEU MD1 . . A . 7 HIS HB2 . . . 5 LEU QD1 . . . . . 7 HIS+ HB2 . . rr_2dx4 1 96 1 . . 1 1 5 5 LEU MD1 H . . . 1 1 7 7 HIS HD2 H . . . . . . . 5.47 . . . . . A . 5 LEU MD1 . . A . 7 HIS HD2 . . . 5 LEU QD1 . . . . . 7 HIS+ HD2 . . rr_2dx4 1 97 1 . . 1 1 5 5 LEU MD2 H . . . 1 1 7 7 HIS HB2 H . . . . . . . 6.37 . . . . . A . 5 LEU MD2 . . A . 7 HIS HB2 . . . 5 LEU QD2 . . . . . 7 HIS+ HB2 . . rr_2dx4 1 98 1 . . 1 1 5 5 LEU MD2 H . . . 1 1 7 7 HIS HD2 H . . . . . . . 3.43 . . . . . A . 5 LEU MD2 . . A . 7 HIS HD2 . . . 5 LEU QD2 . . . . . 7 HIS+ HD2 . . rr_2dx4 1 99 1 . . 1 1 6 6 ALA H H . . . 1 1 6 6 ALA HA H . . . . . . . 3.39 . . . . . A . 6 ALA H . . A . 6 ALA HA . . . 6 ALA HN . . . . . 6 ALA HA . . rr_2dx4 1 100 1 . . 1 1 6 6 ALA MB H . . . 1 1 6 6 ALA H H . . . . . . . 4.26 . . . . . A . 6 ALA MB . . A . 6 ALA H . . . 6 ALA QB . . . . . 6 ALA HN . . rr_2dx4 1 101 1 . . 1 1 6 6 ALA MB H . . . 1 1 6 6 ALA HA H . . . . . . . 4.05 . . . . . A . 6 ALA MB . . A . 6 ALA HA . . . 6 ALA QB . . . . . 6 ALA HA . . rr_2dx4 1 102 1 . . 1 1 6 6 ALA HA H . . . 1 1 7 7 HIS H H . . . . . . . 2.74 . . . . . A . 6 ALA HA . . A . 7 HIS H . . . 6 ALA HA . . . . . 7 HIS+ HN . . rr_2dx4 1 103 1 . . 1 1 6 6 ALA HA H . . . 1 1 13 13 ILE H H . . . . . . . 4.29 . . . . . A . 6 ALA HA . . A . 13 ILE H . . . 6 ALA HA . . . . . 13 ILE HN . . rr_2dx4 1 104 1 . . 1 1 6 6 ALA MB H . . . 1 1 7 7 HIS H H . . . . . . . 4.51 . . . . . A . 6 ALA MB . . A . 7 HIS H . . . 6 ALA QB . . . . . 7 HIS+ HN . . rr_2dx4 1 105 1 . . 1 1 6 6 ALA MB H . . . 1 1 13 13 ILE HB H . . . . . . . 4.57 . . . . . A . 6 ALA MB . . A . 13 ILE HB . . . 6 ALA QB . . . . . 13 ILE HB . . rr_2dx4 1 106 1 . . 1 1 6 6 ALA MB H . . . 1 1 13 13 ILE MG H . . . . . . . 7.56 . . . . . A . 6 ALA MB . . A . 13 ILE MG . . . 6 ALA QB . . . . . 13 ILE QG2 . . rr_2dx4 1 107 1 . . 1 1 6 6 ALA MB H . . . 1 1 13 13 ILE MD H . . . . . . . 7.56 . . . . . A . 6 ALA MB . . A . 13 ILE MD . . . 6 ALA QB . . . . . 13 ILE QD1 . . rr_2dx4 1 108 1 . . 1 1 6 6 ALA MB H . . . 1 1 15 15 HIS HD2 H . . . . . . . 6.53 . . . . . A . 6 ALA MB . . A . 15 HIS HD2 . . . 6 ALA QB . . . . . 15 HIS+ HD2 . . rr_2dx4 1 109 1 . . 1 1 7 7 HIS H H . . . 1 1 7 7 HIS HB3 H . . . . . . . 2.93 . . . . . A . 7 HIS H . . A . 7 HIS HB3 . . . 7 HIS+ HN . . . . . 7 HIS+ HB3 . . rr_2dx4 1 110 1 . . 1 1 7 7 HIS HD2 H . . . 1 1 7 7 HIS H H . . . . . . . 3.83 . . . . . A . 7 HIS HD2 . . A . 7 HIS H . . . 7 HIS+ HD2 . . . . . 7 HIS+ HN . . rr_2dx4 1 111 1 . . 1 1 12 12 TYR QE H . . . 1 1 7 7 HIS H H . . . . . . . 7.63 . . . . . A . 12 TYR QE . . A . 7 HIS H . . . 12 TYR QE . . . . . 7 HIS+ HN . . rr_2dx4 1 112 1 . . 1 1 7 7 HIS HB2 H . . . 1 1 7 7 HIS HB3 H . . . . . . . 2.43 . . . . . A . 7 HIS HB2 . . A . 7 HIS HB3 . . . 7 HIS+ HB2 . . . . . 7 HIS+ HB3 . . rr_2dx4 1 113 1 . . 1 1 7 7 HIS HD2 H . . . 1 1 7 7 HIS HB2 H . . . . . . . 4.14 . . . . . A . 7 HIS HD2 . . A . 7 HIS HB2 . . . 7 HIS+ HD2 . . . . . 7 HIS+ HB2 . . rr_2dx4 1 114 1 . . 1 1 7 7 HIS HD2 H . . . 1 1 7 7 HIS HB3 H . . . . . . . 4.57 . . . . . A . 7 HIS HD2 . . A . 7 HIS HB3 . . . 7 HIS+ HD2 . . . . . 7 HIS+ HB3 . . rr_2dx4 1 115 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_2dx4 1 116 1 . . 1 1 7 7 HIS HD2 H . . . 1 1 12 12 TYR H H . . . . . . . 4.72 . . . . . A . 7 HIS HD2 . . A . 12 TYR H . . . 7 HIS+ HD2 . . . . . 12 TYR HN . . rr_2dx4 1 117 1 . . 1 1 12 12 TYR QE H . . . 1 1 7 7 HIS HD2 H . . . . . . . 7.63 . . . . . A . 12 TYR QE . . A . 7 HIS HD2 . . . 12 TYR QE . . . . . 7 HIS+ HD2 . . rr_2dx4 1 118 1 . . 1 1 7 7 HIS HE1 H . . . 1 1 8 8 ALA MB H . . . . . . . 3.55 . . . . . A . 7 HIS HE1 . . A . 8 ALA MB . . . 7 HIS+ HE1 . . . . . 8 ALA QB . . rr_2dx4 1 119 1 . . 1 1 8 8 ALA H H . . . 1 1 8 8 ALA HA H . . . . . . . 3.02 . . . . . A . 8 ALA H . . A . 8 ALA HA . . . 8 ALA HN . . . . . 8 ALA HA . . rr_2dx4 1 120 1 . . 1 1 8 8 ALA MB H . . . 1 1 8 8 ALA H H . . . . . . . 3.95 . . . . . A . 8 ALA MB . . A . 8 ALA H . . . 8 ALA QB . . . . . 8 ALA HN . . rr_2dx4 1 121 1 . . 1 1 13 13 ILE HB H . . . 1 1 8 8 ALA H H . . . . . . . 5.41 . . . . . A . 13 ILE HB . . A . 8 ALA H . . . 13 ILE HB . . . . . 8 ALA HN . . rr_2dx4 1 122 1 . . 1 1 13 13 ILE MG H . . . 1 1 8 8 ALA H H . . . . . . . 6.53 . . . . . A . 13 ILE MG . . A . 8 ALA H . . . 13 ILE QG2 . . . . . 8 ALA HN . . rr_2dx4 1 123 1 . . 1 1 13 13 ILE MG H . . . 1 1 8 8 ALA HA H . . . . . . . 4.98 . . . . . A . 13 ILE MG . . A . 8 ALA HA . . . 13 ILE QG2 . . . . . 8 ALA HA . . rr_2dx4 1 124 1 . . 1 1 8 8 ALA MB H . . . 1 1 9 9 LYS H H . . . . . . . 3.99 . . . . . A . 8 ALA MB . . A . 9 LYS H . . . 8 ALA QB . . . . . 9 LYS+ HN . . rr_2dx4 1 125 1 . . 1 1 9 9 LYS H H . . . 1 1 9 9 LYS HB2 H . . . . . . . 3.14 . . . . . A . 9 LYS H . . A . 9 LYS HB2 . . . 9 LYS+ HN . . . . . 9 LYS+ HB2 . . rr_2dx4 1 126 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_2dx4 1 126 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_2dx4 1 127 1 OR . 1 1 9 9 LYS H H . . . 1 1 12 12 TYR HB2 H . . . . . . . 4.83 . . . . . A . 9 LYS H . . A . 12 TYR HB2 . . . 9 LYS+ HN . . . . . 12 TYR QB . . rr_2dx4 1 127 2 OR . 1 1 9 9 LYS H H . . . 1 1 12 12 TYR HB3 H . . . . . . . 4.83 . . . . . A . 9 LYS H . . A . 12 TYR HB3 . . . 9 LYS+ HN . . . . . 12 TYR QB . . rr_2dx4 1 128 1 . . 1 1 9 9 LYS HB2 H . . . 1 1 9 9 LYS HA H . . . . . . . 2.83 . . . . . A . 9 LYS HB2 . . A . 9 LYS HA . . . 9 LYS+ HB2 . . . . . 9 LYS+ HA . . rr_2dx4 1 129 1 . . 1 1 9 9 LYS HA H . . . 1 1 9 9 LYS HB3 H . . . . . . . 2.93 . . . . . A . 9 LYS HA . . A . 9 LYS HB3 . . . 9 LYS+ HA . . . . . 9 LYS+ HB3 . . rr_2dx4 1 130 1 OR . 1 1 9 9 LYS HA H . . . 1 1 9 9 LYS HG2 H . . . . . . . 4.24 . . . . . A . 9 LYS HA . . A . 9 LYS HG2 . . . 9 LYS+ HA . . . . . 9 LYS+ QG . . rr_2dx4 1 130 2 OR . 1 1 9 9 LYS HA H . . . 1 1 9 9 LYS HG3 H . . . . . . . 4.24 . . . . . A . 9 LYS HA . . A . 9 LYS HG3 . . . 9 LYS+ HA . . . . . 9 LYS+ QG . . rr_2dx4 1 131 1 OR . 1 1 9 9 LYS HA H . . . 1 1 9 9 LYS HD2 H . . . . . . . 5.04 . . . . . A . 9 LYS HA . . A . 9 LYS HD2 . . . 9 LYS+ HA . . . . . 9 LYS+ QD . . rr_2dx4 1 131 2 OR . 1 1 9 9 LYS HD3 H . . . 1 1 9 9 LYS HA H . . . . . . . 5.04 . . . . . A . 9 LYS HD3 . . A . 9 LYS HA . . . 9 LYS+ QD . . . . . 9 LYS+ HA . . rr_2dx4 1 132 1 OR . 1 1 9 9 LYS HA H . . . 1 1 9 9 LYS HE2 H . . . . . . . 5.11 . . . . . A . 9 LYS HA . . A . 9 LYS HE2 . . . 9 LYS+ HA . . . . . 9 LYS+ QE . . rr_2dx4 1 132 2 OR . 1 1 9 9 LYS HA H . . . 1 1 9 9 LYS HE3 H . . . . . . . 5.11 . . . . . A . 9 LYS HA . . A . 9 LYS HE3 . . . 9 LYS+ HA . . . . . 9 LYS+ QE . . rr_2dx4 1 133 1 . . 1 1 9 9 LYS HA H . . . 1 1 10 10 ALA H H . . . . . . . 2.62 . . . . . A . 9 LYS HA . . A . 10 ALA H . . . 9 LYS+ HA . . . . . 10 ALA HN . . rr_2dx4 1 134 1 OR . 1 1 9 9 LYS HB2 H . . . 1 1 9 9 LYS HE2 H . . . . . . . 5.35 . . . . . A . 9 LYS HB2 . . A . 9 LYS HE2 . . . 9 LYS+ HB2 . . . . . 9 LYS+ QE . . rr_2dx4 1 134 2 OR . 1 1 9 9 LYS HB2 H . . . 1 1 9 9 LYS HE3 H . . . . . . . 5.35 . . . . . A . 9 LYS HB2 . . A . 9 LYS HE3 . . . 9 LYS+ HB2 . . . . . 9 LYS+ QE . . rr_2dx4 1 135 1 OR . 1 1 9 9 LYS HB3 H . . . 1 1 9 9 LYS HE2 H . . . . . . . 5.79 . . . . . A . 9 LYS HB3 . . A . 9 LYS HE2 . . . 9 LYS+ HB3 . . . . . 9 LYS+ QE . . rr_2dx4 1 135 2 OR . 1 1 9 9 LYS HB3 H . . . 1 1 9 9 LYS HE3 H . . . . . . . 5.79 . . . . . A . 9 LYS HB3 . . A . 9 LYS HE3 . . . 9 LYS+ HB3 . . . . . 9 LYS+ QE . . rr_2dx4 1 136 1 OR . 1 1 9 9 LYS HD3 H . . . 1 1 9 9 LYS HG2 H . . . . . . . 5.55 . . . . . A . 9 LYS HD3 . . A . 9 LYS HG2 . . . 9 LYS+ QD . . . . . 9 LYS+ QG . . rr_2dx4 1 136 2 OR . 1 1 9 9 LYS HD2 H . . . 1 1 9 9 LYS HG2 H . . . . . . . 5.55 . . . . . A . 9 LYS HD2 . . A . 9 LYS HG2 . . . 9 LYS+ QD . . . . . 9 LYS+ QG . . rr_2dx4 1 136 3 OR . 1 1 9 9 LYS HG3 H . . . 1 1 9 9 LYS HD2 H . . . . . . . 5.55 . . . . . A . 9 LYS HG3 . . A . 9 LYS HD2 . . . 9 LYS+ QG . . . . . 9 LYS+ QD . . rr_2dx4 1 136 4 OR . 1 1 9 9 LYS HD3 H . . . 1 1 9 9 LYS HG3 H . . . . . . . 5.55 . . . . . A . 9 LYS HD3 . . A . 9 LYS HG3 . . . 9 LYS+ QD . . . . . 9 LYS+ QG . . rr_2dx4 1 137 1 OR . 1 1 9 9 LYS HE3 H . . . 1 1 9 9 LYS HG2 H . . . . . . . 5.98 . . . . . A . 9 LYS HE3 . . A . 9 LYS HG2 . . . 9 LYS+ QE . . . . . 9 LYS+ QG . . rr_2dx4 1 137 2 OR . 1 1 9 9 LYS HE2 H . . . 1 1 9 9 LYS HG2 H . . . . . . . 5.98 . . . . . A . 9 LYS HE2 . . A . 9 LYS HG2 . . . 9 LYS+ QE . . . . . 9 LYS+ QG . . rr_2dx4 1 137 3 OR . 1 1 9 9 LYS HG3 H . . . 1 1 9 9 LYS HE2 H . . . . . . . 5.98 . . . . . A . 9 LYS HG3 . . A . 9 LYS HE2 . . . 9 LYS+ QG . . . . . 9 LYS+ QE . . rr_2dx4 1 137 4 OR . 1 1 9 9 LYS HG3 H . . . 1 1 9 9 LYS HE3 H . . . . . . . 5.98 . . . . . A . 9 LYS HG3 . . A . 9 LYS HE3 . . . 9 LYS+ QG . . . . . 9 LYS+ QE . . rr_2dx4 1 138 1 OR . 1 1 10 10 ALA H H . . . 1 1 9 9 LYS HG2 H . . . . . . . 6.00 . . . . . A . 10 ALA H . . A . 9 LYS HG2 . . . 10 ALA HN . . . . . 9 LYS+ QG . . rr_2dx4 1 138 2 OR . 1 1 9 9 LYS HG3 H . . . 1 1 10 10 ALA H H . . . . . . . 6.00 . . . . . A . 9 LYS HG3 . . A . 10 ALA H . . . 9 LYS+ QG . . . . . 10 ALA HN . . rr_2dx4 1 139 1 OR . 1 1 12 12 TYR HA H . . . 1 1 9 9 LYS HG2 H . . . . . . . 6.38 . . . . . A . 12 TYR HA . . A . 9 LYS HG2 . . . 12 TYR HA . . . . . 9 LYS+ QG . . rr_2dx4 1 139 2 OR . 1 1 9 9 LYS HG3 H . . . 1 1 12 12 TYR HA H . . . . . . . 6.38 . . . . . A . 9 LYS HG3 . . A . 12 TYR HA . . . 9 LYS+ QG . . . . . 12 TYR HA . . rr_2dx4 1 140 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_2dx4 1 140 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_2dx4 1 141 1 OR . 1 1 9 9 LYS HD2 H . . . 1 1 9 9 LYS HE2 H . . . . . . . 6.11 . . . . . A . 9 LYS HD2 . . A . 9 LYS HE2 . . . 9 LYS+ QD . . . . . 9 LYS+ QE . . rr_2dx4 1 141 2 OR . 1 1 9 9 LYS HE3 H . . . 1 1 9 9 LYS HD2 H . . . . . . . 6.11 . . . . . A . 9 LYS HE3 . . A . 9 LYS HD2 . . . 9 LYS+ QE . . . . . 9 LYS+ QD . . rr_2dx4 1 141 3 OR . 1 1 9 9 LYS HD3 H . . . 1 1 9 9 LYS HE3 H . . . . . . . 6.11 . . . . . A . 9 LYS HD3 . . A . 9 LYS HE3 . . . 9 LYS+ QD . . . . . 9 LYS+ QE . . rr_2dx4 1 141 4 OR . 1 1 9 9 LYS HD3 H . . . 1 1 9 9 LYS HE2 H . . . . . . . 6.11 . . . . . A . 9 LYS HD3 . . A . 9 LYS HE2 . . . 9 LYS+ QD . . . . . 9 LYS+ QE . . rr_2dx4 1 142 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_2dx4 1 142 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_2dx4 1 143 1 OR . 1 1 12 12 TYR QD H . . . 1 1 9 9 LYS HD2 H . . . . . . . 7.12 . . . . . A . 12 TYR QD . . A . 9 LYS HD2 . . . 12 TYR QD . . . . . 9 LYS+ QD . . rr_2dx4 1 143 2 OR . 1 1 12 12 TYR QD H . . . 1 1 9 9 LYS HD3 H . . . . . . . 7.12 . . . . . A . 12 TYR QD . . A . 9 LYS HD3 . . . 12 TYR QD . . . . . 9 LYS+ QD . . rr_2dx4 1 144 1 . . 1 1 10 10 ALA H H . . . 1 1 10 10 ALA MB H . . . . . . . 3.95 . . . . . A . 10 ALA H . . A . 10 ALA MB . . . 10 ALA HN . . . . . 10 ALA QB . . rr_2dx4 1 145 1 OR . 1 1 10 10 ALA H H . . . 1 1 12 12 TYR HB2 H . . . . . . . 5.57 . . . . . A . 10 ALA H . . A . 12 TYR HB2 . . . 10 ALA HN . . . . . 12 TYR QB . . rr_2dx4 1 145 2 OR . 1 1 12 12 TYR HB3 H . . . 1 1 10 10 ALA H H . . . . . . . 5.57 . . . . . A . 12 TYR HB3 . . A . 10 ALA H . . . 12 TYR QB . . . . . 10 ALA HN . . rr_2dx4 1 146 1 . . 1 1 12 12 TYR QD H . . . 1 1 10 10 ALA H H . . . . . . . 7.64 . . . . . A . 12 TYR QD . . A . 10 ALA H . . . 12 TYR QD . . . . . 10 ALA HN . . rr_2dx4 1 147 1 . . 1 1 10 10 ALA MB H . . . 1 1 10 10 ALA HA H . . . . . . . 3.43 . . . . . A . 10 ALA MB . . A . 10 ALA HA . . . 10 ALA QB . . . . . 10 ALA HA . . rr_2dx4 1 148 1 . . 1 1 12 12 TYR H H . . . 1 1 10 10 ALA MB H . . . . . . . 4.95 . . . . . A . 12 TYR H . . A . 10 ALA MB . . . 12 TYR HN . . . . . 10 ALA QB . . rr_2dx4 1 149 1 OR . 1 1 10 10 ALA MB H . . . 1 1 12 12 TYR HB2 H . . . . . . . 6.69 . . . . . A . 10 ALA MB . . A . 12 TYR HB2 . . . 10 ALA QB . . . . . 12 TYR QB . . rr_2dx4 1 149 2 OR . 1 1 12 12 TYR HB3 H . . . 1 1 10 10 ALA MB H . . . . . . . 6.69 . . . . . A . 12 TYR HB3 . . A . 10 ALA MB . . . 12 TYR QB . . . . . 10 ALA QB . . rr_2dx4 1 150 1 . . 1 1 12 12 TYR QD H . . . 1 1 10 10 ALA MB H . . . . . . . 8.11 . . . . . A . 12 TYR QD . . A . 10 ALA MB . . . 12 TYR QD . . . . . 10 ALA QB . . rr_2dx4 1 151 1 . . 1 1 12 12 TYR QE H . . . 1 1 10 10 ALA MB H . . . . . . . 8.66 . . . . . A . 12 TYR QE . . A . 10 ALA MB . . . 12 TYR QE . . . . . 10 ALA QB . . rr_2dx4 1 152 1 . . 1 1 11 11 GLY H H . . . 1 1 11 11 GLY HA2 H . . . . . . . 2.90 . . . . . A . 11 GLY H . . A . 11 GLY HA2 . . . 11 GLY HN . . . . . 11 GLY HA1 . . rr_2dx4 1 153 1 . . 1 1 11 11 GLY H H . . . 1 1 11 11 GLY HA3 H . . . . . . . 2.96 . . . . . A . 11 GLY H . . A . 11 GLY HA3 . . . 11 GLY HN . . . . . 11 GLY HA2 . . rr_2dx4 1 154 1 . . 1 1 12 12 TYR H H . . . 1 1 11 11 GLY H H . . . . . . . 2.96 . . . . . A . 12 TYR H . . A . 11 GLY H . . . 12 TYR HN . . . . . 11 GLY HN . . rr_2dx4 1 155 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_2dx4 1 156 1 . . 1 1 11 11 GLY HA2 H . . . 1 1 11 11 GLY HA3 H . . . . . . . 2.40 . . . . . A . 11 GLY HA2 . . A . 11 GLY HA3 . . . 11 GLY HA1 . . . . . 11 GLY HA2 . . rr_2dx4 1 157 1 OR . 1 1 11 11 GLY HA2 H . . . 1 1 12 12 TYR HB2 H . . . . . . . 5.23 . . . . . A . 11 GLY HA2 . . A . 12 TYR HB2 . . . 11 GLY HA1 . . . . . 12 TYR QB . . rr_2dx4 1 157 2 OR . 1 1 12 12 TYR HB3 H . . . 1 1 11 11 GLY HA2 H . . . . . . . 5.23 . . . . . A . 12 TYR HB3 . . A . 11 GLY HA2 . . . 12 TYR QB . . . . . 11 GLY HA1 . . rr_2dx4 1 158 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_2dx4 1 159 1 . . 1 1 13 13 ILE H H . . . 1 1 11 11 GLY HA2 H . . . . . . . 4.17 . . . . . A . 13 ILE H . . A . 11 GLY HA2 . . . 13 ILE HN . . . . . 11 GLY HA1 . . rr_2dx4 1 160 1 . . 1 1 12 12 TYR QD H . . . 1 1 11 11 GLY HA3 H . . . . . . . 7.64 . . . . . A . 12 TYR QD . . A . 11 GLY HA3 . . . 12 TYR QD . . . . . 11 GLY HA2 . . rr_2dx4 1 161 1 . . 1 1 13 13 ILE H H . . . 1 1 11 11 GLY HA3 H . . . . . . . 3.95 . . . . . A . 13 ILE H . . A . 11 GLY HA3 . . . 13 ILE HN . . . . . 11 GLY HA2 . . rr_2dx4 1 162 1 . . 1 1 12 12 TYR H H . . . 1 1 12 12 TYR HA H . . . . . . . 3.24 . . . . . A . 12 TYR H . . A . 12 TYR HA . . . 12 TYR HN . . . . . 12 TYR HA . . rr_2dx4 1 163 1 OR . 1 1 12 12 TYR H H . . . 1 1 12 12 TYR HB2 H . . . . . . . 3.99 . . . . . A . 12 TYR H . . A . 12 TYR HB2 . . . 12 TYR HN . . . . . 12 TYR QB . . rr_2dx4 1 163 2 OR . 1 1 12 12 TYR H H . . . 1 1 12 12 TYR HB3 H . . . . . . . 3.99 . . . . . A . 12 TYR H . . A . 12 TYR HB3 . . . 12 TYR HN . . . . . 12 TYR QB . . rr_2dx4 1 164 1 . . 1 1 12 12 TYR QD H . . . 1 1 12 12 TYR H H . . . . . . . 7.55 . . . . . A . 12 TYR QD . . A . 12 TYR H . . . 12 TYR QD . . . . . 12 TYR HN . . rr_2dx4 1 165 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_2dx4 1 166 1 OR . 1 1 12 12 TYR HA H . . . 1 1 12 12 TYR HB2 H . . . . . . . 3.68 . . . . . A . 12 TYR HA . . A . 12 TYR HB2 . . . 12 TYR HA . . . . . 12 TYR QB . . rr_2dx4 1 166 2 OR . 1 1 12 12 TYR HB3 H . . . 1 1 12 12 TYR HA H . . . . . . . 3.68 . . . . . A . 12 TYR HB3 . . A . 12 TYR HA . . . 12 TYR QB . . . . . 12 TYR HA . . rr_2dx4 1 167 1 . . 1 1 12 12 TYR QD H . . . 1 1 12 12 TYR HA H . . . . . . . 6.40 . . . . . A . 12 TYR QD . . A . 12 TYR HA . . . 12 TYR QD . . . . . 12 TYR HA . . rr_2dx4 1 168 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_2dx4 1 169 1 OR . 1 1 12 12 TYR QD H . . . 1 1 12 12 TYR HB2 H . . . . . . . 6.93 . . . . . A . 12 TYR QD . . A . 12 TYR HB2 . . . 12 TYR QD . . . . . 12 TYR QB . . rr_2dx4 1 169 2 OR . 1 1 12 12 TYR QD H . . . 1 1 12 12 TYR HB3 H . . . . . . . 6.93 . . . . . A . 12 TYR QD . . A . 12 TYR HB3 . . . 12 TYR QD . . . . . 12 TYR QB . . rr_2dx4 1 170 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_2dx4 1 170 2 OR . 1 1 12 12 TYR QE H . . . 1 1 12 12 TYR HB3 H . . . . . . . 8.51 . . . . . A . 12 TYR QE . . A . 12 TYR HB3 . . . 12 TYR QE . . . . . 12 TYR QB . . rr_2dx4 1 171 1 OR . 1 1 13 13 ILE H H . . . 1 1 12 12 TYR HB2 H . . . . . . . 4.30 . . . . . A . 13 ILE H . . A . 12 TYR HB2 . . . 13 ILE HN . . . . . 12 TYR QB . . rr_2dx4 1 171 2 OR . 1 1 13 13 ILE H H . . . 1 1 12 12 TYR HB3 H . . . . . . . 4.30 . . . . . A . 13 ILE H . . A . 12 TYR HB3 . . . 13 ILE HN . . . . . 12 TYR QB . . rr_2dx4 1 172 1 . . 1 1 12 12 TYR QD H . . . 1 1 12 12 TYR QE H . . . . . . . 7.38 . . . . . A . 12 TYR QD . . A . 12 TYR QE . . . 12 TYR QD . . . . . 12 TYR QE . . rr_2dx4 1 173 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_2dx4 1 174 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_2dx4 1 175 1 . . 1 1 12 12 TYR QD H . . . 1 1 14 14 VAL HB H . . . . . . . 7.64 . . . . . A . 12 TYR QD . . A . 14 VAL HB . . . 12 TYR QD . . . . . 14 VAL HB . . rr_2dx4 1 176 1 . . 1 1 14 14 VAL MG1 H . . . 1 1 12 12 TYR QD H . . . . . . . 8.67 . . . . . A . 14 VAL MG1 . . A . 12 TYR QD . . . 14 VAL QG1 . . . . . 12 TYR QD . . rr_2dx4 1 177 1 . . 1 1 14 14 VAL MG2 H . . . 1 1 12 12 TYR QD H . . . . . . . 8.36 . . . . . A . 14 VAL MG2 . . A . 12 TYR QD . . . 14 VAL QG2 . . . . . 12 TYR QD . . rr_2dx4 1 178 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_2dx4 1 179 1 . . 1 1 12 12 TYR QE H . . . 1 1 14 14 VAL HB H . . . . . . . 7.63 . . . . . A . 12 TYR QE . . A . 14 VAL HB . . . 12 TYR QE . . . . . 14 VAL HB . . rr_2dx4 1 180 1 . . 1 1 14 14 VAL MG1 H . . . 1 1 12 12 TYR QE H . . . . . . . 8.66 . . . . . A . 14 VAL MG1 . . A . 12 TYR QE . . . 14 VAL QG1 . . . . . 12 TYR QE . . rr_2dx4 1 181 1 . . 1 1 14 14 VAL MG2 H . . . 1 1 12 12 TYR QE H . . . . . . . 8.44 . . . . . A . 14 VAL MG2 . . A . 12 TYR QE . . . 14 VAL QG2 . . . . . 12 TYR QE . . rr_2dx4 1 182 1 . . 1 1 13 13 ILE H H . . . 1 1 13 13 ILE HA H . . . . . . . 3.27 . . . . . A . 13 ILE H . . A . 13 ILE HA . . . 13 ILE HN . . . . . 13 ILE HA . . rr_2dx4 1 183 1 . . 1 1 13 13 ILE H H . . . 1 1 13 13 ILE MG H . . . . . . . 5.16 . . . . . A . 13 ILE H . . A . 13 ILE MG . . . 13 ILE HN . . . . . 13 ILE QG2 . . rr_2dx4 1 184 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_2dx4 1 185 1 . . 1 1 13 13 ILE HB H . . . 1 1 13 13 ILE HA H . . . . . . . 3.14 . . . . . A . 13 ILE HB . . A . 13 ILE HA . . . 13 ILE HB . . . . . 13 ILE HA . . rr_2dx4 1 186 1 . . 1 1 13 13 ILE MG H . . . 1 1 13 13 ILE HA H . . . . . . . 4.36 . . . . . A . 13 ILE MG . . A . 13 ILE HA . . . 13 ILE QG2 . . . . . 13 ILE HA . . rr_2dx4 1 187 1 . . 1 1 13 13 ILE HA H . . . 1 1 13 13 ILE HG13 H . . . . . . . 3.92 . . . . . A . 13 ILE HA . . A . 13 ILE HG13 . . . 13 ILE HA . . . . . 13 ILE HG13 . . rr_2dx4 1 188 1 . . 1 1 13 13 ILE MD H . . . 1 1 13 13 ILE HA H . . . . . . . 5.10 . . . . . A . 13 ILE MD . . A . 13 ILE HA . . . 13 ILE QD1 . . . . . 13 ILE HA . . rr_2dx4 1 189 1 . . 1 1 14 14 VAL H H . . . 1 1 13 13 ILE HA H . . . . . . . 2.71 . . . . . A . 14 VAL H . . A . 13 ILE HA . . . 14 VAL HN . . . . . 13 ILE HA . . rr_2dx4 1 190 1 . . 1 1 13 13 ILE HB H . . . 1 1 13 13 ILE MG H . . . . . . . 4.05 . . . . . A . 13 ILE HB . . A . 13 ILE MG . . . 13 ILE HB . . . . . 13 ILE QG2 . . rr_2dx4 1 191 1 . . 1 1 13 13 ILE HB H . . . 1 1 13 13 ILE HG12 H . . . . . . . 3.83 . . . . . A . 13 ILE HB . . A . 13 ILE HG12 . . . 13 ILE HB . . . . . 13 ILE HG12 . . rr_2dx4 1 192 1 . . 1 1 13 13 ILE HB H . . . 1 1 13 13 ILE MD H . . . . . . . 4.48 . . . . . A . 13 ILE HB . . A . 13 ILE MD . . . 13 ILE HB . . . . . 13 ILE QD1 . . rr_2dx4 1 193 1 . . 1 1 13 13 ILE MG H . . . 1 1 13 13 ILE HG12 H . . . . . . . 4.36 . . . . . A . 13 ILE MG . . A . 13 ILE HG12 . . . 13 ILE QG2 . . . . . 13 ILE HG12 . . rr_2dx4 1 194 1 . . 1 1 13 13 ILE MG H . . . 1 1 13 13 ILE HG13 H . . . . . . . 4.30 . . . . . A . 13 ILE MG . . A . 13 ILE HG13 . . . 13 ILE QG2 . . . . . 13 ILE HG13 . . rr_2dx4 1 195 1 . . 1 1 13 13 ILE MG H . . . 1 1 15 15 HIS HE1 H . . . . . . . 6.53 . . . . . A . 13 ILE MG . . A . 15 HIS HE1 . . . 13 ILE QG2 . . . . . 15 HIS+ HE1 . . rr_2dx4 1 196 1 . . 1 1 13 13 ILE HG13 H . . . 1 1 13 13 ILE HG12 H . . . . . . . 2.40 . . . . . A . 13 ILE HG13 . . A . 13 ILE HG12 . . . 13 ILE HG13 . . . . . 13 ILE HG12 . . rr_2dx4 1 197 1 . . 1 1 13 13 ILE MD H . . . 1 1 13 13 ILE HG12 H . . . . . . . 3.92 . . . . . A . 13 ILE MD . . A . 13 ILE HG12 . . . 13 ILE QD1 . . . . . 13 ILE HG12 . . rr_2dx4 1 198 1 . . 1 1 14 14 VAL H H . . . 1 1 13 13 ILE HG12 H . . . . . . . 5.19 . . . . . A . 14 VAL H . . A . 13 ILE HG12 . . . 14 VAL HN . . . . . 13 ILE HG12 . . rr_2dx4 1 199 1 . . 1 1 13 13 ILE MD H . . . 1 1 13 13 ILE HG13 H . . . . . . . 3.80 . . . . . A . 13 ILE MD . . A . 13 ILE HG13 . . . 13 ILE QD1 . . . . . 13 ILE HG13 . . rr_2dx4 1 200 1 . . 1 1 13 13 ILE MD H . . . 1 1 14 14 VAL H H . . . . . . . 3.86 . . . . . A . 13 ILE MD . . A . 14 VAL H . . . 13 ILE QD1 . . . . . 14 VAL HN . . rr_2dx4 1 201 1 . . 1 1 15 15 HIS HA H . . . 1 1 13 13 ILE MD H . . . . . . . 6.53 . . . . . A . 15 HIS HA . . A . 13 ILE MD . . . 15 HIS+ HA . . . . . 13 ILE QD1 . . rr_2dx4 1 202 1 . . 1 1 13 13 ILE MD H . . . 1 1 15 15 HIS HE1 H . . . . . . . 3.86 . . . . . A . 13 ILE MD . . A . 15 HIS HE1 . . . 13 ILE QD1 . . . . . 15 HIS+ HE1 . . rr_2dx4 1 203 1 . . 1 1 14 14 VAL H H . . . 1 1 14 14 VAL HA H . . . . . . . 3.24 . . . . . A . 14 VAL H . . A . 14 VAL HA . . . 14 VAL HN . . . . . 14 VAL HA . . rr_2dx4 1 204 1 . . 1 1 14 14 VAL MG1 H . . . 1 1 14 14 VAL H H . . . . . . . 4.67 . . . . . A . 14 VAL MG1 . . A . 14 VAL H . . . 14 VAL QG1 . . . . . 14 VAL HN . . rr_2dx4 1 205 1 . . 1 1 14 14 VAL MG2 H . . . 1 1 14 14 VAL H H . . . . . . . 4.88 . . . . . A . 14 VAL MG2 . . A . 14 VAL H . . . 14 VAL QG2 . . . . . 14 VAL HN . . rr_2dx4 1 206 1 . . 1 1 14 14 VAL HB H . . . 1 1 14 14 VAL HA H . . . . . . . 3.11 . . . . . A . 14 VAL HB . . A . 14 VAL HA . . . 14 VAL HB . . . . . 14 VAL HA . . rr_2dx4 1 207 1 . . 1 1 14 14 VAL MG1 H . . . 1 1 14 14 VAL HA H . . . . . . . 4.36 . . . . . A . 14 VAL MG1 . . A . 14 VAL HA . . . 14 VAL QG1 . . . . . 14 VAL HA . . rr_2dx4 1 208 1 . . 1 1 14 14 VAL MG2 H . . . 1 1 14 14 VAL HA H . . . . . . . 4.61 . . . . . A . 14 VAL MG2 . . A . 14 VAL HA . . . 14 VAL QG2 . . . . . 14 VAL HA . . rr_2dx4 1 209 1 . . 1 1 14 14 VAL MG1 H . . . 1 1 14 14 VAL HB H . . . . . . . 4.23 . . . . . A . 14 VAL MG1 . . A . 14 VAL HB . . . 14 VAL QG1 . . . . . 14 VAL HB . . rr_2dx4 1 210 1 . . 1 1 14 14 VAL MG2 H . . . 1 1 14 14 VAL HB H . . . . . . . 4.20 . . . . . A . 14 VAL MG2 . . A . 14 VAL HB . . . 14 VAL QG2 . . . . . 14 VAL HB . . rr_2dx4 1 211 1 . . 1 1 14 14 VAL HB H . . . 1 1 15 15 HIS H H . . . . . . . 3.52 . . . . . A . 14 VAL HB . . A . 15 HIS H . . . 14 VAL HB . . . . . 15 HIS+ HN . . rr_2dx4 1 212 1 . . 1 1 16 16 TRP HD1 H . . . 1 1 14 14 VAL HB H . . . . . . . 4.85 . . . . . A . 16 TRP HD1 . . A . 14 VAL HB . . . 16 TRP HD1 . . . . . 14 VAL HB . . rr_2dx4 1 213 1 . . 1 1 14 14 VAL MG1 H . . . 1 1 14 14 VAL MG2 H . . . . . . . 5.39 . . . . . A . 14 VAL MG1 . . A . 14 VAL MG2 . . . 14 VAL QG1 . . . . . 14 VAL QG2 . . rr_2dx4 1 214 1 . . 1 1 14 14 VAL MG1 H . . . 1 1 15 15 HIS H H . . . . . . . 5.01 . . . . . A . 14 VAL MG1 . . A . 15 HIS H . . . 14 VAL QG1 . . . . . 15 HIS+ HN . . rr_2dx4 1 215 1 . . 1 1 14 14 VAL MG1 H . . . 1 1 16 16 TRP HD1 H . . . . . . . 5.63 . . . . . A . 14 VAL MG1 . . A . 16 TRP HD1 . . . 14 VAL QG1 . . . . . 16 TRP HD1 . . rr_2dx4 1 216 1 . . 1 1 14 14 VAL MG1 H . . . 1 1 16 16 TRP HE3 H . . . . . . . 5.75 . . . . . A . 14 VAL MG1 . . A . 16 TRP HE3 . . . 14 VAL QG1 . . . . . 16 TRP HE3 . . rr_2dx4 1 217 1 . . 1 1 14 14 VAL MG1 H . . . 1 1 16 16 TRP HZ2 H . . . . . . . 6.31 . . . . . A . 14 VAL MG1 . . A . 16 TRP HZ2 . . . 14 VAL QG1 . . . . . 16 TRP HZ2 . . rr_2dx4 1 218 1 . . 1 1 14 14 VAL MG2 H . . . 1 1 15 15 HIS H H . . . . . . . 5.69 . . . . . A . 14 VAL MG2 . . A . 15 HIS H . . . 14 VAL QG2 . . . . . 15 HIS+ HN . . rr_2dx4 1 219 1 . . 1 1 16 16 TRP HD1 H . . . 1 1 14 14 VAL MG2 H . . . . . . . 5.13 . . . . . A . 16 TRP HD1 . . A . 14 VAL MG2 . . . 16 TRP HD1 . . . . . 14 VAL QG2 . . rr_2dx4 1 220 1 . . 1 1 14 14 VAL MG2 H . . . 1 1 16 16 TRP HE3 H . . . . . . . 5.01 . . . . . A . 14 VAL MG2 . . A . 16 TRP HE3 . . . 14 VAL QG2 . . . . . 16 TRP HE3 . . rr_2dx4 1 221 1 . . 1 1 14 14 VAL MG2 H . . . 1 1 16 16 TRP HZ2 H . . . . . . . 5.60 . . . . . A . 14 VAL MG2 . . A . 16 TRP HZ2 . . . 14 VAL QG2 . . . . . 16 TRP HZ2 . . rr_2dx4 1 222 1 . . 1 1 15 15 HIS HA H . . . 1 1 15 15 HIS H H . . . . . . . 3.14 . . . . . A . 15 HIS HA . . A . 15 HIS H . . . 15 HIS+ HA . . . . . 15 HIS+ HN . . rr_2dx4 1 223 1 . . 1 1 15 15 HIS HD2 H . . . 1 1 15 15 HIS H H . . . . . . . 4.82 . . . . . A . 15 HIS HD2 . . A . 15 HIS H . . . 15 HIS+ HD2 . . . . . 15 HIS+ HN . . rr_2dx4 1 224 1 . . 1 1 15 15 HIS HA H . . . 1 1 15 15 HIS HB2 H . . . . . . . 2.93 . . . . . A . 15 HIS HA . . A . 15 HIS HB2 . . . 15 HIS+ HA . . . . . 15 HIS+ HB2 . . rr_2dx4 1 225 1 . . 1 1 15 15 HIS HA H . . . 1 1 15 15 HIS HB3 H . . . . . . . 2.99 . . . . . A . 15 HIS HA . . A . 15 HIS HB3 . . . 15 HIS+ HA . . . . . 15 HIS+ HB3 . . rr_2dx4 1 226 1 . . 1 1 15 15 HIS HA H . . . 1 1 16 16 TRP H H . . . . . . . 2.62 . . . . . A . 15 HIS HA . . A . 16 TRP H . . . 15 HIS+ HA . . . . . 16 TRP HN . . rr_2dx4 1 227 1 . . 1 1 15 15 HIS HB2 H . . . 1 1 15 15 HIS HB3 H . . . . . . . 2.59 . . . . . A . 15 HIS HB2 . . A . 15 HIS HB3 . . . 15 HIS+ HB2 . . . . . 15 HIS+ HB3 . . rr_2dx4 1 228 1 . . 1 1 15 15 HIS HD2 H . . . 1 1 15 15 HIS HB2 H . . . . . . . 4.48 . . . . . A . 15 HIS HD2 . . A . 15 HIS HB2 . . . 15 HIS+ HD2 . . . . . 15 HIS+ HB2 . . rr_2dx4 1 229 1 . . 1 1 15 15 HIS HD2 H . . . 1 1 15 15 HIS HB3 H . . . . . . . 4.23 . . . . . A . 15 HIS HD2 . . A . 15 HIS HB3 . . . 15 HIS+ HD2 . . . . . 15 HIS+ HB3 . . rr_2dx4 1 230 1 . . 1 1 15 15 HIS HB3 H . . . 1 1 17 17 THR MG H . . . . . . . 6.09 . . . . . A . 15 HIS HB3 . . A . 17 THR MG . . . 15 HIS+ HB3 . . . . . 17 THR QG2 . . rr_2dx4 1 231 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_2dx4 1 232 1 . . 1 1 16 16 TRP H H . . . 1 1 16 16 TRP HB2 H . . . . . . . 2.83 . . . . . A . 16 TRP H . . A . 16 TRP HB2 . . . 16 TRP HN . . . . . 16 TRP HB2 . . rr_2dx4 1 233 1 . . 1 1 16 16 TRP H H . . . 1 1 16 16 TRP HB3 H . . . . . . . 3.58 . . . . . A . 16 TRP H . . A . 16 TRP HB3 . . . 16 TRP HN . . . . . 16 TRP HB3 . . rr_2dx4 1 234 1 . . 1 1 16 16 TRP HD1 H . . . 1 1 16 16 TRP H H . . . . . . . 4.54 . . . . . A . 16 TRP HD1 . . A . 16 TRP H . . . 16 TRP HD1 . . . . . 16 TRP HN . . rr_2dx4 1 235 1 . . 1 1 16 16 TRP HE3 H . . . 1 1 16 16 TRP H H . . . . . . . 5.50 . . . . . A . 16 TRP HE3 . . A . 16 TRP H . . . 16 TRP HE3 . . . . . 16 TRP HN . . rr_2dx4 1 236 1 . . 1 1 16 16 TRP HB2 H . . . 1 1 16 16 TRP HA H . . . . . . . 3.02 . . . . . A . 16 TRP HB2 . . A . 16 TRP HA . . . 16 TRP HB2 . . . . . 16 TRP HA . . rr_2dx4 1 237 1 . . 1 1 16 16 TRP HB3 H . . . 1 1 16 16 TRP HA H . . . . . . . 3.02 . . . . . A . 16 TRP HB3 . . A . 16 TRP HA . . . 16 TRP HB3 . . . . . 16 TRP HA . . rr_2dx4 1 238 1 . . 1 1 16 16 TRP HE3 H . . . 1 1 16 16 TRP HA H . . . . . . . 3.86 . . . . . A . 16 TRP HE3 . . A . 16 TRP HA . . . 16 TRP HE3 . . . . . 16 TRP HA . . rr_2dx4 1 239 1 . . 1 1 16 16 TRP HA H . . . 1 1 17 17 THR H H . . . . . . . 2.87 . . . . . A . 16 TRP HA . . A . 17 THR H . . . 16 TRP HA . . . . . 17 THR HN . . rr_2dx4 1 240 1 . . 1 1 16 16 TRP HD1 H . . . 1 1 16 16 TRP HB2 H . . . . . . . 3.61 . . . . . A . 16 TRP HD1 . . A . 16 TRP HB2 . . . 16 TRP HD1 . . . . . 16 TRP HB2 . . rr_2dx4 1 241 1 . . 1 1 16 16 TRP HD1 H . . . 1 1 16 16 TRP HB3 H . . . . . . . 3.98 . . . . . A . 16 TRP HD1 . . A . 16 TRP HB3 . . . 16 TRP HD1 . . . . . 16 TRP HB3 . . rr_2dx4 1 242 1 . . 1 1 16 16 TRP HB3 H . . . 1 1 17 17 THR H H . . . . . . . 2.62 . . . . . A . 16 TRP HB3 . . A . 17 THR H . . . 16 TRP HB3 . . . . . 17 THR HN . . rr_2dx4 1 243 1 . . 1 1 16 16 TRP HD1 H . . . 1 1 16 16 TRP HE1 H . . . . . . . 3.45 . . . . . A . 16 TRP HD1 . . A . 16 TRP HE1 . . . 16 TRP HD1 . . . . . 16 TRP HE1 . . rr_2dx4 1 244 1 . . 1 1 16 16 TRP HD1 H . . . 1 1 17 17 THR H H . . . . . . . 5.13 . . . . . A . 16 TRP HD1 . . A . 17 THR H . . . 16 TRP HD1 . . . . . 17 THR HN . . rr_2dx4 1 245 1 . . 1 1 16 16 TRP HE3 H . . . 1 1 17 17 THR H H . . . . . . . 5.50 . . . . . A . 16 TRP HE3 . . A . 17 THR H . . . 16 TRP HE3 . . . . . 17 THR HN . . rr_2dx4 1 246 1 . . 1 1 16 16 TRP HZ2 H . . . 1 1 16 16 TRP HE1 H . . . . . . . 4.45 . . . . . A . 16 TRP HZ2 . . A . 16 TRP HE1 . . . 16 TRP HZ2 . . . . . 16 TRP HE1 . . rr_2dx4 1 247 1 . . 1 1 17 17 THR MG H . . . 1 1 17 17 THR H H . . . . . . . 5.50 . . . . . A . 17 THR MG . . A . 17 THR H . . . 17 THR QG2 . . . . . 17 THR HN . . rr_2dx4 1 248 1 . . 1 1 17 17 THR MG H . . . 1 1 17 17 THR HA H . . . . . . . 4.67 . . . . . A . 17 THR MG . . A . 17 THR HA . . . 17 THR QG2 . . . . . 17 THR HA . . rr_2dx4 1 249 1 . . 1 1 17 17 THR HA H . . . 1 1 18 18 ALA H H . . . . . . . 2.99 . . . . . A . 17 THR HA . . A . 18 ALA H . . . 17 THR HA . . . . . 18 ALA HN . . rr_2dx4 1 250 1 . . 1 1 17 17 THR MG H . . . 1 1 17 17 THR HB H . . . . . . . 4.45 . . . . . A . 17 THR MG . . A . 17 THR HB . . . 17 THR QG2 . . . . . 17 THR HB . . rr_2dx4 1 251 1 . . 1 1 18 18 ALA H H . . . 1 1 17 17 THR HB H . . . . . . . 4.04 . . . . . A . 18 ALA H . . A . 17 THR HB . . . 18 ALA HN . . . . . 17 THR HB . . rr_2dx4 1 252 1 . . 1 1 17 17 THR MG H . . . 1 1 18 18 ALA H H . . . . . . . 5.78 . . . . . A . 17 THR MG . . A . 18 ALA H . . . 17 THR QG2 . . . . . 18 ALA HN . . rr_2dx4 1 253 1 . . 1 1 18 18 ALA HA H . . . 1 1 18 18 ALA H H . . . . . . . 3.42 . . . . . A . 18 ALA HA . . A . 18 ALA H . . . 18 ALA HA . . . . . 18 ALA HN . . rr_2dx4 1 254 1 . . 1 1 18 18 ALA H H . . . 1 1 18 18 ALA MB H . . . . . . . 4.54 . . . . . A . 18 ALA H . . A . 18 ALA MB . . . 18 ALA HN . . . . . 18 ALA QB . . rr_2dx4 1 255 1 . . 1 1 18 18 ALA HA H . . . 1 1 18 18 ALA MB H . . . . . . . 4.23 . . . . . A . 18 ALA HA . . A . 18 ALA MB . . . 18 ALA HA . . . . . 18 ALA QB . . rr_2dx4 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_2dx4 1 2 'peak 370' 3 40 3 52 rr_2dx4 1 3 'peak 368' 4 40 4 52 rr_2dx4 1 4 'peak 367' 5 40 5 52 rr_2dx4 1 5 'peak 369' 6 40 6 52 rr_2dx4 1 6 'peak 1' 7 40 7 52 rr_2dx4 1 7 '1 ILE HA 2 ASN HA 4.32 # peak 358' 8 1 8 53 rr_2dx4 1 8 '1 ILE HA 2 ASN HB2 3.95 # peak 346' 9 1 9 53 rr_2dx4 1 9 '1 ILE HA 2 ASN HB3 3.98 # peak 345' 10 1 10 53 rr_2dx4 1 10 'peak 472' 11 40 11 52 rr_2dx4 1 11 'peak 479' 12 40 12 52 rr_2dx4 1 12 'peak 476' 13 40 13 52 rr_2dx4 1 13 'peak 471' 14 40 14 52 rr_2dx4 1 14 'peak 222' 15 40 15 52 rr_2dx4 1 15 'peak 324' 16 40 16 52 rr_2dx4 1 16 'peak 226' 17 40 17 52 rr_2dx4 1 17 '1 ILE QG2 2 ASN HA 6.53 # peak 416' 18 1 18 53 rr_2dx4 1 18 '1 ILE QG2 2 ASN HB2 6.53 # peak 441' 19 1 19 53 rr_2dx4 1 19 '1 ILE QG2 2 ASN HB3 6.53 # peak 440' 20 1 20 53 rr_2dx4 1 20 '1 ILE QG2 2 ASN HD21 5.47 # peak 315' 21 1 21 53 rr_2dx4 1 21 '1 ILE QG2 3 TYR HA 6.53 # peak 380' 22 1 22 53 rr_2dx4 1 22 'peak 438' 23 40 23 52 rr_2dx4 1 23 'peak 320' 24 40 24 52 rr_2dx4 1 24 'peak 321' 25 40 25 52 rr_2dx4 1 25 'peak 378' 26 40 26 52 rr_2dx4 1 26 'peak 484' 27 40 27 52 rr_2dx4 1 27 'peak 224' 28 40 28 52 rr_2dx4 1 28 'peak 489' 29 40 29 52 rr_2dx4 1 29 'peak 223' 30 40 30 52 rr_2dx4 1 30 'peak 225' 31 40 31 52 rr_2dx4 1 31 'peak 317' 32 40 32 52 rr_2dx4 1 32 'peak 319' 33 40 33 52 rr_2dx4 1 33 'peak 2' 34 40 34 52 rr_2dx4 1 34 'peak 90' 35 40 35 52 rr_2dx4 1 35 '2 ASN HN 2 ASN HB3 3.39 # peak 85' 36 1 36 53 rr_2dx4 1 36 '2 ASN HN 2 ASN HD22 5.50 # peak 171' 37 1 37 53 rr_2dx4 1 37 '2 ASN HN 3 TYR HN 4.11 # peak 137' 38 1 38 53 rr_2dx4 1 38 'peak 332' 39 40 39 52 rr_2dx4 1 39 'peak 331' 40 40 40 52 rr_2dx4 1 40 'peak 64' 41 40 41 52 rr_2dx4 1 41 'peak 48' 42 40 42 52 rr_2dx4 1 42 'peak 31' 43 40 43 52 rr_2dx4 1 43 '2 ASN HA 3 TYR QB 4.80 # peak 330' 44 1 44 53 rr_2dx4 1 44 '2 ASN HA 3 TYR QD 7.64 # peak 55' 45 1 45 53 rr_2dx4 1 45 '2 ASN HA 3 TYR QE 7.63 # peak 52' 46 1 46 53 rr_2dx4 1 46 '2 ASN HA 4 TRP HN 3.70 # peak 35' 47 1 47 53 rr_2dx4 1 47 '2 ASN HA 5 LEU HN 3.70 # peak 45' 48 1 48 53 rr_2dx4 1 48 '2 ASN HA 5 LEU QD1 6.53 # peak 414' 49 1 49 53 rr_2dx4 1 49 '2 ASN HA 5 LEU QD2 6.53 # peak 412' 50 1 50 53 rr_2dx4 1 50 '2 ASN HA 6 ALA QB 6.53 # peak 410' 51 1 51 53 rr_2dx4 1 51 'peak 357' 52 40 52 52 rr_2dx4 1 52 'peak 94' 53 40 53 52 rr_2dx4 1 53 'peak 93' 54 40 54 52 rr_2dx4 1 54 '2 ASN HB2 3 TYR HN 4.07 # peak 91' 55 1 55 53 rr_2dx4 1 55 '2 ASN HB2 4 TRP HN 4.63 # peak 92' 56 1 56 53 rr_2dx4 1 56 '2 ASN HB2 5 LEU QB 6.38 # peak 432' 57 1 57 53 rr_2dx4 1 57 '2 ASN HB2 5 LEU HG 3.27 # peak 433' 58 1 58 53 rr_2dx4 1 58 '2 ASN HB2 5 LEU QD1 6.53 # peak 435' 59 1 59 53 rr_2dx4 1 59 '2 ASN HB2 5 LEU QD2 5.69 # peak 434' 60 1 60 53 rr_2dx4 1 60 'peak 89' 61 40 61 52 rr_2dx4 1 61 'peak 88' 62 40 62 52 rr_2dx4 1 62 '2 ASN HB3 3 TYR HN 3.83 # peak 86' 63 1 63 53 rr_2dx4 1 63 '2 ASN HB3 4 TRP HN 4.45 # peak 87' 64 1 64 53 rr_2dx4 1 64 '2 ASN HB3 5 LEU QB 6.38 # peak 429' 65 1 65 53 rr_2dx4 1 65 '2 ASN HB3 5 LEU QD1 6.53 # peak 431' 66 1 66 53 rr_2dx4 1 66 '2 ASN HB3 5 LEU QD2 6.53 # peak 430' 67 1 67 53 rr_2dx4 1 67 'peak 208' 68 40 68 52 rr_2dx4 1 68 'peak 122' 69 40 69 52 rr_2dx4 1 69 '2 ASN HD21 5 LEU HN 5.47 # peak 196' 70 1 70 53 rr_2dx4 1 70 'peak 172' 71 40 71 52 rr_2dx4 1 71 'peak 187' 72 40 72 52 rr_2dx4 1 72 '2 ASN HD22 5 LEU QB 6.38 # peak 282' 73 1 73 53 rr_2dx4 1 73 '2 ASN HD22 5 LEU QD2 5.50 # peak 283' 74 1 74 53 rr_2dx4 1 74 'peak 3' 75 40 75 52 rr_2dx4 1 75 'peak 110' 76 40 76 52 rr_2dx4 1 76 'peak 162' 77 40 77 52 rr_2dx4 1 77 'peak 166' 78 40 78 52 rr_2dx4 1 78 '3 TYR HN 4 TRP HN 3.45 # peak 140' 79 1 79 53 rr_2dx4 1 79 '3 TYR HN 6 ALA QB 6.53 # peak 244' 80 1 80 53 rr_2dx4 1 80 'peak 339' 81 40 81 52 rr_2dx4 1 81 'peak 58' 82 40 82 52 rr_2dx4 1 82 'peak 54' 83 40 83 52 rr_2dx4 1 83 'peak 15' 84 40 84 52 rr_2dx4 1 84 '3 TYR HA 4 TRP HD1 5.50 # peak 70' 85 1 85 53 rr_2dx4 1 85 '3 TYR HA 5 LEU HN 4.41 # peak 41' 86 1 86 53 rr_2dx4 1 86 '3 TYR HA 6 ALA HN 4.66 # peak 44' 87 1 87 53 rr_2dx4 1 87 '3 TYR HA 6 ALA QB 5.19 # peak 379' 88 1 88 53 rr_2dx4 1 88 '3 TYR HA 7 HIS+ HD2 5.50 # peak 71' 89 1 89 53 rr_2dx4 1 89 'peak 135' 90 40 90 52 rr_2dx4 1 90 'peak 136' 91 40 91 52 rr_2dx4 1 91 'peak 111' 92 40 92 52 rr_2dx4 1 92 '3 TYR QB 4 TRP HA 5.57 # peak 337' 93 1 93 53 rr_2dx4 1 93 '3 TYR QB 4 TRP HB2 6.38 # peak 348' 94 1 94 53 rr_2dx4 1 94 '3 TYR QB 4 TRP HB3 6.38 # peak 347' 95 1 95 53 rr_2dx4 1 95 '3 TYR QB 4 TRP HD1 6.38 # peak 133' 96 1 96 53 rr_2dx4 1 96 '3 TYR QB 4 TRP HE3 6.38 # peak 117' 97 1 97 53 rr_2dx4 1 97 'peak 437' 98 40 98 52 rr_2dx4 1 98 '3 TYR QB 6 ALA QB 7.40 # peak 436' 99 1 99 53 rr_2dx4 1 99 '3 TYR QB 7 HIS+ HD2 6.38 # peak 134' 100 1 100 53 rr_2dx4 1 100 'peak 439' 101 40 101 52 rr_2dx4 1 101 'peak 202' 102 40 102 52 rr_2dx4 1 102 'peak 164' 103 40 103 52 rr_2dx4 1 103 '3 TYR QD 4 TRP HA 7.64 # peak 56' 104 1 104 53 rr_2dx4 1 104 '3 TYR QD 4 TRP HD1 7.64 # peak 216' 105 1 105 53 rr_2dx4 1 105 '3 TYR QD 4 TRP HE3 7.64 # peak 209' 106 1 106 53 rr_2dx4 1 106 '3 TYR QD 4 TRP HZ2 7.64 # peak 211' 107 1 107 53 rr_2dx4 1 107 '3 TYR QD 6 ALA QB 8.67 # peak 327' 108 1 108 53 rr_2dx4 1 108 '3 TYR QD 7 HIS+ HN 4.94 # peak 197' 109 1 109 53 rr_2dx4 1 109 '3 TYR QD 7 HIS+ HB2 5.53 # peak 130' 110 1 110 53 rr_2dx4 1 110 '3 TYR QD 7 HIS+ HD2 7.64 # peak 219' 111 1 111 53 rr_2dx4 1 111 '3 TYR QD 7 HIS+ HE1 7.64 # peak 163' 112 1 112 53 rr_2dx4 1 112 'peak 168' 113 40 113 52 rr_2dx4 1 113 '3 TYR QE 4 TRP HA 7.63 # peak 53' 114 1 114 53 rr_2dx4 1 114 '3 TYR QE 4 TRP HE3 7.63 # peak 210' 115 1 115 53 rr_2dx4 1 115 '3 TYR QE 4 TRP HZ2 7.63 # peak 212' 116 1 116 53 rr_2dx4 1 116 '3 TYR QE 6 ALA QB 8.66 # peak 328' 117 1 117 53 rr_2dx4 1 117 '3 TYR QE 7 HIS+ HN 7.63 # peak 201' 118 1 118 53 rr_2dx4 1 118 '3 TYR QE 7 HIS+ HB2 7.63 # peak 132' 119 1 119 53 rr_2dx4 1 119 '3 TYR QE 7 HIS+ HD2 7.63 # peak 215' 120 1 120 53 rr_2dx4 1 120 '3 TYR QE 7 HIS+ HE1 7.63 # peak 167' 121 1 121 53 rr_2dx4 1 121 'peak 214' 122 40 122 52 rr_2dx4 1 122 'peak 98' 123 40 123 52 rr_2dx4 1 123 'peak 95' 124 40 124 52 rr_2dx4 1 124 '4 TRP HN 4 TRP HD1 4.60 # peak 148' 125 1 125 53 rr_2dx4 1 125 'peak 174' 126 40 126 52 rr_2dx4 1 126 '4 TRP HN 5 LEU HN 3.49 # peak 144' 127 1 127 53 rr_2dx4 1 127 '4 TRP HN 5 LEU QB 5.23 # peak 261' 128 1 128 53 rr_2dx4 1 128 '4 TRP HN 5 LEU QD1 4.88 # peak 230' 129 1 129 53 rr_2dx4 1 129 '4 TRP HN 6 ALA QB 5.50 # peak 269' 130 1 130 53 rr_2dx4 1 130 '4 TRP HN 7 HIS+ HD2 4.57 # peak 156' 131 1 131 53 rr_2dx4 1 131 '4 TRP HN 15 HIS+ HN 3.83 # peak 139' 132 1 132 53 rr_2dx4 1 132 'peak 190' 133 40 133 52 rr_2dx4 1 133 'peak 335' 134 40 134 52 rr_2dx4 1 134 'peak 66' 135 40 135 52 rr_2dx4 1 135 '4 TRP HA 4 TRP HE3 3.58 # peak 50' 136 1 136 53 rr_2dx4 1 136 '4 TRP HA 4 TRP HZ2 5.50 # peak 84' 137 1 137 53 rr_2dx4 1 137 '4 TRP HA 5 LEU HN 3.14 # peak 37' 138 1 138 53 rr_2dx4 1 138 '4 TRP HA 5 LEU QB 6.38 # peak 419' 139 1 139 53 rr_2dx4 1 139 '4 TRP HA 5 LEU HG 3.18 # peak 420' 140 1 140 53 rr_2dx4 1 140 '4 TRP HA 5 LEU QD1 6.34 # peak 424' 141 1 141 53 rr_2dx4 1 141 '4 TRP HA 5 LEU QD2 6.53 # peak 422' 142 1 142 53 rr_2dx4 1 142 '4 TRP HA 6 ALA HN 3.30 # peak 5' 143 1 143 53 rr_2dx4 1 143 'peak 423' 144 40 144 52 rr_2dx4 1 144 'peak 67' 145 40 145 52 rr_2dx4 1 145 'peak 121' 146 40 146 52 rr_2dx4 1 146 'peak 114' 147 40 147 52 rr_2dx4 1 147 'peak 113' 148 40 148 52 rr_2dx4 1 148 '4 TRP HB2 5 LEU QB 4.27 # peak 443' 149 1 149 53 rr_2dx4 1 149 '4 TRP HB2 5 LEU QD1 6.53 # peak 449' 150 1 150 53 rr_2dx4 1 150 '4 TRP HB2 5 LEU QD2 6.53 # peak 448' 151 1 151 53 rr_2dx4 1 151 '4 TRP HB2 6 ALA HA 2.65 # peak 350' 152 1 152 53 rr_2dx4 1 152 'peak 118' 153 40 153 52 rr_2dx4 1 153 'peak 112' 154 40 154 52 rr_2dx4 1 154 '4 TRP HB3 5 LEU QD1 6.53 # peak 442' 155 1 155 53 rr_2dx4 1 155 '4 TRP HB3 7 HIS+ HD2 3.36 # peak 119' 156 1 156 53 rr_2dx4 1 156 'peak 204' 157 40 157 52 rr_2dx4 1 157 'peak 181' 158 40 158 52 rr_2dx4 1 158 '4 TRP HD1 4 TRP HZ2 4.35 # peak 206' 159 1 159 53 rr_2dx4 1 159 'peak 178' 160 40 160 52 rr_2dx4 1 160 '4 TRP HD1 5 LEU HG 5.19 # peak 299' 161 1 161 53 rr_2dx4 1 161 '4 TRP HD1 5 LEU QD1 5.81 # peak 307' 162 1 162 53 rr_2dx4 1 162 '4 TRP HD1 6 ALA HN 3.33 # peak 188' 163 1 163 53 rr_2dx4 1 163 'peak 303' 164 40 164 52 rr_2dx4 1 164 '4 TRP HD1 8 ALA QB 4.64 # peak 302' 165 1 165 53 rr_2dx4 1 165 'peak 62' 166 40 166 52 rr_2dx4 1 166 'peak 177' 167 40 167 52 rr_2dx4 1 167 '4 TRP HE3 5 LEU QB 6.22 # peak 284' 168 1 168 53 rr_2dx4 1 168 '4 TRP HE3 6 ALA HN 5.50 # peak 175' 169 1 169 53 rr_2dx4 1 169 'peak 286' 170 40 170 52 rr_2dx4 1 170 '4 TRP HE3 7 HIS+ HN 3.52 # peak 183' 171 1 171 53 rr_2dx4 1 171 '4 TRP HE3 7 HIS+ HB2 4.82 # peak 115' 172 1 172 53 rr_2dx4 1 172 '4 TRP HE3 8 ALA QB 5.50 # peak 285' 173 1 173 53 rr_2dx4 1 173 'peak 179' 174 40 174 52 rr_2dx4 1 174 '4 TRP HZ2 7 HIS+ HN 5.50 # peak 184' 175 1 175 53 rr_2dx4 1 175 '4 TRP HZ2 7 HIS+ HB2 4.48 # peak 116' 176 1 176 53 rr_2dx4 1 176 '4 TRP HZ2 13 ILE HN 5.50 # peak 185' 177 1 177 53 rr_2dx4 1 177 'peak 24' 178 40 178 52 rr_2dx4 1 178 'peak 277' 179 40 179 52 rr_2dx4 1 179 'peak 281' 180 40 180 52 rr_2dx4 1 180 'peak 280' 181 40 181 52 rr_2dx4 1 181 '5 LEU HN 6 ALA HN 3.55 # peak 145' 182 1 182 53 rr_2dx4 1 182 '5 LEU HN 6 ALA QB 6.50 # peak 279' 183 1 183 53 rr_2dx4 1 183 '5 LEU HN 7 HIS+ HD2 5.50 # peak 195' 184 1 184 53 rr_2dx4 1 184 '5 LEU HN 8 ALA QB 3.46 # peak 278' 185 1 185 53 rr_2dx4 1 185 'peak 387' 186 40 186 52 rr_2dx4 1 186 'peak 391' 187 40 187 52 rr_2dx4 1 187 'peak 390' 188 40 188 52 rr_2dx4 1 188 'peak 23' 189 40 189 52 rr_2dx4 1 189 '5 LEU HA 6 ALA QB 5.63 # peak 389' 190 1 190 53 rr_2dx4 1 190 '5 LEU HA 7 HIS+ HD2 5.41 # peak 72' 191 1 191 53 rr_2dx4 1 191 'peak 73' 192 40 192 52 rr_2dx4 1 192 'peak 59' 193 40 193 52 rr_2dx4 1 193 '5 LEU HA 13 ILE QD1 6.53 # peak 394' 194 1 194 53 rr_2dx4 1 194 'peak 488' 195 40 195 52 rr_2dx4 1 195 'peak 487' 196 40 196 52 rr_2dx4 1 196 'peak 262' 197 40 197 52 rr_2dx4 1 197 '5 LEU QB 6 ALA HA 4.89 # peak 395' 198 1 198 53 rr_2dx4 1 198 'peak 297' 199 40 199 52 rr_2dx4 1 199 'peak 298' 200 40 200 52 rr_2dx4 1 200 'peak 231' 201 40 201 52 rr_2dx4 1 201 '5 LEU QD1 6 ALA HA 3.43 # peak 398' 202 1 202 53 rr_2dx4 1 202 '5 LEU QD1 6 ALA QB 7.56 # peak 465' 203 1 203 53 rr_2dx4 1 203 'peak 458' 204 40 204 52 rr_2dx4 1 204 'peak 310' 205 40 205 52 rr_2dx4 1 205 '5 LEU QD2 6 ALA HA 6.53 # peak 397' 206 1 206 53 rr_2dx4 1 206 '5 LEU QD2 6 ALA QB 7.56 # peak 468' 207 1 207 53 rr_2dx4 1 207 'peak 456' 208 40 208 52 rr_2dx4 1 208 'peak 495' 209 40 209 52 rr_2dx4 1 209 '5 LEU QD2 8 ALA QB 7.56 # peak 492' 210 1 210 53 rr_2dx4 1 210 '5 LEU QD2 14 VAL HA 3.55 # peak 373' 211 1 211 53 rr_2dx4 1 211 'peak 27' 212 40 212 52 rr_2dx4 1 212 'peak 270' 213 40 213 52 rr_2dx4 1 213 '6 ALA HN 7 HIS+ HN 3.27 # peak 147' 214 1 214 53 rr_2dx4 1 214 '6 ALA HN 8 ALA QB 4.92 # peak 266' 215 1 215 53 rr_2dx4 1 215 'peak 396' 216 40 216 52 rr_2dx4 1 216 'peak 17' 217 40 217 52 rr_2dx4 1 217 '6 ALA HA 7 HIS+ HA 4.57 # peak 361' 218 1 218 53 rr_2dx4 1 218 '6 ALA HA 7 HIS+ HB2 3.86 # peak 352' 219 1 219 53 rr_2dx4 1 219 '6 ALA HA 7 HIS+ HD2 4.20 # peak 74' 220 1 220 53 rr_2dx4 1 220 'peak 43' 221 40 221 52 rr_2dx4 1 221 'peak 268' 222 40 222 52 rr_2dx4 1 222 '6 ALA QB 7 HIS+ HA 5.54 # peak 428' 223 1 223 53 rr_2dx4 1 223 '6 ALA QB 7 HIS+ HB2 5.78 # peak 455' 224 1 224 53 rr_2dx4 1 224 '6 ALA QB 7 HIS+ HB3 5.29 # peak 447' 225 1 225 53 rr_2dx4 1 225 '6 ALA QB 7 HIS+ HD2 5.75 # peak 305' 226 1 226 53 rr_2dx4 1 226 '6 ALA QB 7 HIS+ HE1 6.53 # peak 245' 227 1 227 53 rr_2dx4 1 227 '6 ALA QB 9 LYS+ HN 5.85 # peak 255' 228 1 228 53 rr_2dx4 1 228 '6 ALA QB 9 LYS+ HB3 5.81 # peak 493' 229 1 229 53 rr_2dx4 1 229 '6 ALA QB 9 LYS+ QD 7.40 # peak 494' 230 1 230 53 rr_2dx4 1 230 'peak 481' 231 40 231 52 rr_2dx4 1 231 'peak 467' 232 40 232 52 rr_2dx4 1 232 'peak 466' 233 40 233 52 rr_2dx4 1 233 'peak 304' 234 40 234 52 rr_2dx4 1 234 '7 HIS+ HN 7 HIS+ HB2 2.80 # peak 106' 235 1 235 53 rr_2dx4 1 235 'peak 100' 236 40 236 52 rr_2dx4 1 236 'peak 155' 237 40 237 52 rr_2dx4 1 237 'peak 199' 238 40 238 52 rr_2dx4 1 238 '7 HIS+ HA 7 HIS+ HB3 2.59 # peak 338' 239 1 239 53 rr_2dx4 1 239 '7 HIS+ HA 7 HIS+ HD2 4.11 # peak 68' 240 1 240 53 rr_2dx4 1 240 '7 HIS+ HA 7 HIS+ HE1 5.50 # peak 46' 241 1 241 53 rr_2dx4 1 241 '7 HIS+ HA 8 ALA HN 2.65 # peak 7' 242 1 242 53 rr_2dx4 1 242 '7 HIS+ HA 8 ALA QB 4.61 # peak 427' 243 1 243 53 rr_2dx4 1 243 '7 HIS+ HA 9 LYS+ HN 3.64 # peak 33' 244 1 244 53 rr_2dx4 1 244 '7 HIS+ HA 10 ALA HN 3.73 # peak 34' 245 1 245 53 rr_2dx4 1 245 'peak 354' 246 40 246 52 rr_2dx4 1 246 'peak 128' 247 40 247 52 rr_2dx4 1 247 'peak 124' 248 40 248 52 rr_2dx4 1 248 '7 HIS+ HB3 8 ALA QB 5.04 # peak 446' 249 1 249 53 rr_2dx4 1 249 'peak 153' 250 40 250 52 rr_2dx4 1 250 '7 HIS+ HD2 10 ALA QB 5.04 # peak 300' 251 1 251 53 rr_2dx4 1 251 '7 HIS+ HD2 11 GLY HN 3.76 # peak 154' 252 1 252 53 rr_2dx4 1 252 'peak 170' 253 40 253 52 rr_2dx4 1 253 'peak 220' 254 40 254 52 rr_2dx4 1 254 '7 HIS+ HD2 14 VAL QG1 4.17 # peak 312' 255 1 255 53 rr_2dx4 1 255 'peak 243' 256 40 256 52 rr_2dx4 1 256 'peak 16' 257 40 257 52 rr_2dx4 1 257 'peak 264' 258 40 258 52 rr_2dx4 1 258 '8 ALA HN 9 LYS+ HN 3.36 # peak 142' 259 1 259 53 rr_2dx4 1 259 'peak 258' 260 40 260 52 rr_2dx4 1 260 'peak 239' 261 40 261 52 rr_2dx4 1 261 '8 ALA HA 11 GLY HA2 3.92 # peak 363' 262 1 262 53 rr_2dx4 1 262 'peak 383' 263 40 263 52 rr_2dx4 1 263 '8 ALA HA 13 ILE QD1 6.53 # peak 382' 264 1 264 53 rr_2dx4 1 264 'peak 253' 265 40 265 52 rr_2dx4 1 265 'peak 248' 266 40 266 52 rr_2dx4 1 266 '9 LYS+ HN 9 LYS+ HB3 3.27 # peak 246' 267 1 267 53 rr_2dx4 1 267 'peak 250' 268 40 268 52 rr_2dx4 1 268 'peak 105' 269 40 269 52 rr_2dx4 1 269 '9 LYS+ HN 12 TYR QE 7.63 # peak 169' 270 1 270 53 rr_2dx4 1 270 'peak 385' 271 40 271 52 rr_2dx4 1 271 'peak 384' 272 40 272 52 rr_2dx4 1 272 'peak 388' 273 40 273 52 rr_2dx4 1 273 'peak 386' 274 40 274 52 rr_2dx4 1 274 'peak 341' 275 40 275 52 rr_2dx4 1 275 'peak 21' 276 40 276 52 rr_2dx4 1 276 'peak 462' 277 40 277 52 rr_2dx4 1 277 '9 LYS+ HB2 10 ALA HN 3.64 # peak 249' 278 1 278 53 rr_2dx4 1 278 'peak 461' 279 40 279 52 rr_2dx4 1 279 '9 LYS+ HB3 10 ALA HN 3.55 # peak 247' 280 1 280 53 rr_2dx4 1 280 'peak 478' 281 40 281 52 rr_2dx4 1 281 'peak 464' 282 40 282 52 rr_2dx4 1 282 'peak 252' 283 40 283 52 rr_2dx4 1 283 'peak 421' 284 40 284 52 rr_2dx4 1 284 'peak 325' 285 40 285 52 rr_2dx4 1 285 'peak 463' 286 40 286 52 rr_2dx4 1 286 'peak 251' 287 40 287 52 rr_2dx4 1 287 'peak 296' 288 40 288 52 rr_2dx4 1 288 'peak 254' 289 40 289 52 rr_2dx4 1 289 'peak 109' 290 40 290 52 rr_2dx4 1 290 'peak 158' 291 40 291 52 rr_2dx4 1 291 'peak 381' 292 40 292 52 rr_2dx4 1 292 '10 ALA HA 11 GLY HN 2.46 # peak 20' 293 1 293 53 rr_2dx4 1 293 '10 ALA HA 11 GLY HA1 3.24 # peak 364' 294 1 294 53 rr_2dx4 1 294 '10 ALA HA 12 TYR HN 3.24 # peak 22' 295 1 295 53 rr_2dx4 1 295 '10 ALA QB 11 GLY HA1 5.72 # peak 376' 296 1 296 53 rr_2dx4 1 296 '10 ALA QB 11 GLY HA2 5.16 # peak 371' 297 1 297 53 rr_2dx4 1 297 'peak 265' 298 40 298 52 rr_2dx4 1 298 'peak 454' 299 40 299 52 rr_2dx4 1 299 'peak 301' 300 40 300 52 rr_2dx4 1 300 'peak 326' 301 40 301 52 rr_2dx4 1 301 '10 ALA QB 13 ILE HA 3.43 # peak 402' 302 1 302 53 rr_2dx4 1 302 'peak 13' 303 40 303 52 rr_2dx4 1 303 'peak 9' 304 40 304 52 rr_2dx4 1 304 'peak 143' 305 40 305 52 rr_2dx4 1 305 'peak 157' 306 40 306 52 rr_2dx4 1 306 'peak 356' 307 40 307 52 rr_2dx4 1 307 '11 GLY HA1 12 TYR HN 3.11 # peak 14' 308 1 308 53 rr_2dx4 1 308 'peak 344' 309 40 309 52 rr_2dx4 1 309 'peak 81' 310 40 310 52 rr_2dx4 1 310 'peak 38' 311 40 311 52 rr_2dx4 1 311 '11 GLY HA2 12 TYR HN 3.11 # peak 10' 312 1 312 53 rr_2dx4 1 312 '11 GLY HA2 12 TYR QB 5.14 # peak 342' 313 1 313 53 rr_2dx4 1 313 'peak 78' 314 40 314 52 rr_2dx4 1 314 'peak 40' 315 40 315 52 rr_2dx4 1 315 'peak 6' 316 40 316 52 rr_2dx4 1 316 'peak 108' 317 40 317 52 rr_2dx4 1 317 'peak 161' 318 40 318 52 rr_2dx4 1 318 'peak 165' 319 40 319 52 rr_2dx4 1 319 '12 TYR HN 13 ILE HN 3.21 # peak 146' 320 1 320 53 rr_2dx4 1 320 '12 TYR HN 13 ILE HB 4.14 # peak 260' 321 1 321 53 rr_2dx4 1 321 '12 TYR HN 13 ILE QG2 6.00 # peak 276' 322 1 322 53 rr_2dx4 1 322 '12 TYR HN 13 ILE QD1 6.53 # peak 236' 323 1 323 53 rr_2dx4 1 323 '12 TYR HN 14 VAL QG2 6.50 # peak 232' 324 1 324 53 rr_2dx4 1 324 'peak 336' 325 40 325 52 rr_2dx4 1 325 'peak 69' 326 40 326 52 rr_2dx4 1 326 'peak 57' 327 40 327 52 rr_2dx4 1 327 '12 TYR HA 13 ILE HN 2.56 # peak 4' 328 1 328 53 rr_2dx4 1 328 '12 TYR HA 13 ILE HA 4.26 # peak 362' 329 1 329 53 rr_2dx4 1 329 '12 TYR HA 13 ILE HB 3.70 # peak 418' 330 1 330 53 rr_2dx4 1 330 '12 TYR HA 13 ILE QG2 5.85 # peak 426' 331 1 331 53 rr_2dx4 1 331 '12 TYR HA 13 ILE QD1 6.06 # peak 425' 332 1 332 53 rr_2dx4 1 332 'peak 129' 333 40 333 52 rr_2dx4 1 333 'peak 131' 334 40 334 52 rr_2dx4 1 334 'peak 107' 335 40 335 52 rr_2dx4 1 335 '12 TYR QB 13 ILE HA 5.51 # peak 353' 336 1 336 53 rr_2dx4 1 336 '12 TYR QB 13 ILE QG2 7.09 # peak 460' 337 1 337 53 rr_2dx4 1 337 '12 TYR QB 13 ILE QD1 7.40 # peak 459' 338 1 338 53 rr_2dx4 1 338 '12 TYR QB 14 VAL QG2 7.40 # peak 457' 339 1 339 53 rr_2dx4 1 339 '12 TYR QB 16 TRP HD1 6.38 # peak 127' 340 1 340 53 rr_2dx4 1 340 'peak 203' 341 40 341 52 rr_2dx4 1 341 'peak 160' 342 40 342 52 rr_2dx4 1 342 '12 TYR QD 13 ILE HA 7.21 # peak 76' 343 1 343 53 rr_2dx4 1 343 '12 TYR QD 13 ILE HB 7.64 # peak 295' 344 1 344 53 rr_2dx4 1 344 'peak 159' 345 40 345 52 rr_2dx4 1 345 'peak 293' 346 40 346 52 rr_2dx4 1 346 'peak 316' 347 40 347 52 rr_2dx4 1 347 'peak 314' 348 40 348 52 rr_2dx4 1 348 'peak 200' 349 40 349 52 rr_2dx4 1 349 '12 TYR QE 13 ILE HA 7.63 # peak 60' 350 1 350 53 rr_2dx4 1 350 '12 TYR QE 14 VAL HA 7.42 # peak 61' 351 1 351 53 rr_2dx4 1 351 'peak 323' 352 40 352 52 rr_2dx4 1 352 'peak 322' 353 40 353 52 rr_2dx4 1 353 'peak 318' 354 40 354 52 rr_2dx4 1 354 '12 TYR QE 15 HIS+ HN 7.63 # peak 198' 355 1 355 53 rr_2dx4 1 355 '12 TYR QE 16 TRP HZ2 7.63 # peak 213' 356 1 356 53 rr_2dx4 1 356 'peak 19' 357 40 357 52 rr_2dx4 1 357 '13 ILE HN 13 ILE HB 3.05 # peak 259' 358 1 358 53 rr_2dx4 1 358 'peak 275' 359 40 359 52 rr_2dx4 1 359 '13 ILE HN 13 ILE HG12 4.17 # peak 274' 360 1 360 53 rr_2dx4 1 360 '13 ILE HN 13 ILE HG13 3.55 # peak 263' 361 1 361 53 rr_2dx4 1 361 'peak 235' 362 40 362 52 rr_2dx4 1 362 '13 ILE HN 14 VAL HN 2.90 # peak 221' 363 1 363 53 rr_2dx4 1 363 'peak 400' 364 40 364 52 rr_2dx4 1 364 'peak 408' 365 40 365 52 rr_2dx4 1 365 '13 ILE HA 13 ILE HG12 3.49 # peak 405' 366 1 366 53 rr_2dx4 1 366 'peak 401' 367 40 367 52 rr_2dx4 1 367 'peak 407' 368 40 368 52 rr_2dx4 1 368 'peak 18' 369 40 369 52 rr_2dx4 1 369 '13 ILE HA 14 VAL HA 3.73 # peak 365' 370 1 370 53 rr_2dx4 1 370 '13 ILE HA 14 VAL HB 3.83 # peak 399' 371 1 371 53 rr_2dx4 1 371 '13 ILE HA 14 VAL QG2 6.03 # peak 406' 372 1 372 53 rr_2dx4 1 372 '13 ILE HA 15 HIS+ HN 3.83 # peak 39' 373 1 373 53 rr_2dx4 1 373 '13 ILE HA 16 TRP HN 2.46 # peak 42' 374 1 374 53 rr_2dx4 1 374 'peak 475' 375 40 375 52 rr_2dx4 1 375 'peak 480' 376 40 376 52 rr_2dx4 1 376 '13 ILE HB 13 ILE HG13 2.77 # peak 477' 377 1 377 53 rr_2dx4 1 377 'peak 474' 378 40 378 52 rr_2dx4 1 378 '13 ILE HB 14 VAL HN 3.49 # peak 257' 379 1 379 53 rr_2dx4 1 379 '13 ILE HB 14 VAL QG2 6.50 # peak 473' 380 1 380 53 rr_2dx4 1 380 '13 ILE HB 16 TRP HD1 5.03 # peak 294' 381 1 381 53 rr_2dx4 1 381 'peak 486' 382 40 382 52 rr_2dx4 1 382 'peak 491' 383 40 383 52 rr_2dx4 1 383 '13 ILE QG2 15 HIS+ HB3 5.88 # peak 451' 384 1 384 53 rr_2dx4 1 384 'peak 237' 385 40 385 52 rr_2dx4 1 385 '13 ILE QG2 16 TRP HB2 5.69 # peak 450' 386 1 386 53 rr_2dx4 1 386 '13 ILE QG2 16 TRP HB3 6.53 # peak 445' 387 1 387 53 rr_2dx4 1 387 'peak 482' 388 40 388 52 rr_2dx4 1 388 'peak 485' 389 40 389 52 rr_2dx4 1 389 'peak 273' 390 40 390 52 rr_2dx4 1 390 'peak 490' 391 40 391 52 rr_2dx4 1 391 'peak 234' 392 40 392 52 rr_2dx4 1 392 'peak 415' 393 40 393 52 rr_2dx4 1 393 'peak 233' 394 40 394 52 rr_2dx4 1 394 'peak 12' 395 40 395 52 rr_2dx4 1 395 '14 VAL HN 14 VAL HB 3.14 # peak 256' 396 1 396 53 rr_2dx4 1 396 'peak 238' 397 40 397 52 rr_2dx4 1 397 'peak 229' 398 40 398 52 rr_2dx4 1 398 '14 VAL HN 15 HIS+ HN 3.58 # peak 138' 399 1 399 53 rr_2dx4 1 399 '14 VAL HN 15 HIS+ HD2 5.50 # peak 193' 400 1 400 53 rr_2dx4 1 400 '14 VAL HN 16 TRP HD1 5.50 # peak 189' 401 1 401 53 rr_2dx4 1 401 'peak 372' 402 40 402 52 rr_2dx4 1 402 'peak 375' 403 40 403 52 rr_2dx4 1 403 'peak 374' 404 40 404 52 rr_2dx4 1 404 '14 VAL HA 15 HIS+ HN 2.68 # peak 11' 405 1 405 53 rr_2dx4 1 405 '14 VAL HA 15 HIS+ HB2 3.70 # peak 343' 406 1 406 53 rr_2dx4 1 406 '14 VAL HA 15 HIS+ HB3 3.45 # peak 351' 407 1 407 53 rr_2dx4 1 407 '14 VAL HA 15 HIS+ HD2 5.50 # peak 80' 408 1 408 53 rr_2dx4 1 408 '14 VAL HA 16 TRP HA 3.86 # peak 359' 409 1 409 53 rr_2dx4 1 409 '14 VAL HA 16 TRP HD1 5.50 # peak 79' 410 1 410 53 rr_2dx4 1 410 'peak 470' 411 40 411 52 rr_2dx4 1 411 'peak 469' 412 40 412 52 rr_2dx4 1 412 'peak 242' 413 40 413 52 rr_2dx4 1 413 'peak 292' 414 40 414 52 rr_2dx4 1 414 'peak 483' 415 40 415 52 rr_2dx4 1 415 'peak 240' 416 40 416 52 rr_2dx4 1 416 '14 VAL QG1 15 HIS+ HD2 5.94 # peak 311' 417 1 417 53 rr_2dx4 1 417 '14 VAL QG1 16 TRP HN 5.41 # peak 241' 418 1 418 53 rr_2dx4 1 418 '14 VAL QG1 16 TRP HA 5.10 # peak 417' 419 1 419 53 rr_2dx4 1 419 'peak 313' 420 40 420 52 rr_2dx4 1 420 'peak 290' 421 40 421 52 rr_2dx4 1 421 'peak 291' 422 40 422 52 rr_2dx4 1 422 'peak 227' 423 40 423 52 rr_2dx4 1 423 '14 VAL QG2 15 HIS+ HD2 6.00 # peak 309' 424 1 424 53 rr_2dx4 1 424 '14 VAL QG2 16 TRP HN 4.54 # peak 228' 425 1 425 53 rr_2dx4 1 425 '14 VAL QG2 16 TRP HA 5.94 # peak 413' 426 1 426 53 rr_2dx4 1 426 'peak 308' 427 40 427 52 rr_2dx4 1 427 'peak 288' 428 40 428 52 rr_2dx4 1 428 'peak 289' 429 40 429 52 rr_2dx4 1 429 'peak 30' 430 40 430 52 rr_2dx4 1 430 '15 HIS+ HN 15 HIS+ HB2 3.21 # peak 103' 431 1 431 53 rr_2dx4 1 431 '15 HIS+ HN 15 HIS+ HB3 3.30 # peak 102' 432 1 432 53 rr_2dx4 1 432 'peak 151' 433 40 433 52 rr_2dx4 1 433 '15 HIS+ HN 16 TRP HN 3.45 # peak 141' 434 1 434 53 rr_2dx4 1 434 '15 HIS+ HN 16 TRP HD1 2.40 # peak 191' 435 1 435 53 rr_2dx4 1 435 'peak 329' 436 40 436 52 rr_2dx4 1 436 'peak 340' 437 40 437 52 rr_2dx4 1 437 'peak 32' 438 40 438 52 rr_2dx4 1 438 'peak 355' 439 40 439 52 rr_2dx4 1 439 'peak 126' 440 40 440 52 rr_2dx4 1 440 '15 HIS+ HB2 16 TRP HN 3.52 # peak 104' 441 1 441 53 rr_2dx4 1 441 '15 HIS+ HB2 17 THR QG2 3.55 # peak 453' 442 1 442 53 rr_2dx4 1 442 'peak 125' 443 40 443 52 rr_2dx4 1 443 'peak 452' 444 40 444 52 rr_2dx4 1 444 'peak 152' 445 40 445 52 rr_2dx4 1 445 '15 HIS+ HD2 16 TRP HN 2.93 # peak 192' 446 1 446 53 rr_2dx4 1 446 '15 HIS+ HD2 16 TRP HA 5.13 # peak 63' 447 1 447 53 rr_2dx4 1 447 '15 HIS+ HD2 17 THR HN 5.50 # peak 194' 448 1 448 53 rr_2dx4 1 448 'peak 99' 449 40 449 52 rr_2dx4 1 449 'peak 96' 450 40 450 52 rr_2dx4 1 450 'peak 149' 451 40 451 52 rr_2dx4 1 451 'peak 173' 452 40 452 52 rr_2dx4 1 452 'peak 334' 453 40 453 52 rr_2dx4 1 453 'peak 333' 454 40 454 52 rr_2dx4 1 454 '16 TRP HA 16 TRP HD1 3.86 # peak 65' 455 1 455 53 rr_2dx4 1 455 'peak 49' 456 40 456 52 rr_2dx4 1 456 '16 TRP HA 16 TRP HZ2 5.50 # peak 83' 457 1 457 53 rr_2dx4 1 457 'peak 36' 458 40 458 52 rr_2dx4 1 458 '16 TRP HA 17 THR HB 4.51 # peak 360' 459 1 459 53 rr_2dx4 1 459 '16 TRP HA 17 THR QG2 6.19 # peak 411' 460 1 460 53 rr_2dx4 1 460 'peak 123' 461 40 461 52 rr_2dx4 1 461 '16 TRP HB2 17 THR HN 3.49 # peak 101' 462 1 462 53 rr_2dx4 1 462 'peak 120' 463 40 463 52 rr_2dx4 1 463 'peak 97' 464 40 464 52 rr_2dx4 1 464 '16 TRP HB3 17 THR HA 2.83 # peak 349' 465 1 465 53 rr_2dx4 1 465 '16 TRP HB3 17 THR QG2 6.53 # peak 444' 466 1 466 53 rr_2dx4 1 466 '16 TRP HD1 16 TRP HE3 3.45 # peak 205' 467 1 467 53 rr_2dx4 1 467 'peak 182' 468 40 468 52 rr_2dx4 1 468 '16 TRP HD1 16 TRP HZ2 2.43 # peak 207' 469 1 469 53 rr_2dx4 1 469 'peak 150' 470 40 470 52 rr_2dx4 1 470 '16 TRP HD1 17 THR HA 4.82 # peak 82' 471 1 471 53 rr_2dx4 1 471 '16 TRP HD1 17 THR HB 4.57 # peak 75' 472 1 472 53 rr_2dx4 1 472 '16 TRP HD1 17 THR QG2 6.40 # peak 306' 473 1 473 53 rr_2dx4 1 473 '16 TRP HD1 18 ALA HA 5.50 # peak 77' 474 1 474 53 rr_2dx4 1 474 'peak 176' 475 40 475 52 rr_2dx4 1 475 '16 TRP HE3 17 THR HA 4.48 # peak 47' 476 1 476 53 rr_2dx4 1 476 '16 TRP HE3 17 THR HB 4.48 # peak 51' 477 1 477 53 rr_2dx4 1 477 '16 TRP HE3 17 THR QG2 6.53 # peak 287' 478 1 478 53 rr_2dx4 1 478 'peak 180' 479 40 479 52 rr_2dx4 1 479 '16 TRP HZ2 17 THR HN 5.41 # peak 186' 480 1 480 53 rr_2dx4 1 480 '16 TRP HZ2 18 ALA HA 5.50 # peak 496' 481 1 481 53 rr_2dx4 1 481 '17 THR HN 17 THR HA 2.65 # peak 25' 482 1 482 53 rr_2dx4 1 482 '17 THR HN 17 THR HB 2.40 # peak 28' 483 1 483 53 rr_2dx4 1 483 'peak 271' 484 40 484 52 rr_2dx4 1 484 'peak 393' 485 40 485 52 rr_2dx4 1 485 'peak 26' 486 40 486 52 rr_2dx4 1 486 '17 THR HA 18 ALA QB 4.45 # peak 392' 487 1 487 53 rr_2dx4 1 487 'peak 404' 488 40 488 52 rr_2dx4 1 488 'peak 29' 489 40 489 52 rr_2dx4 1 489 '17 THR HB 18 ALA QB 6.53 # peak 403' 490 1 490 53 rr_2dx4 1 490 'peak 272' 491 40 491 52 rr_2dx4 1 491 '17 THR QG2 18 ALA HA 5.26 # peak 409' 492 1 492 53 rr_2dx4 1 492 'peak 8' 493 40 493 52 rr_2dx4 1 493 'peak 267' 494 40 494 52 rr_2dx4 1 494 'peak 377' 495 40 495 52 rr_2dx4 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_2dx4 _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 2DX4 *TITLE NMR STRUCTURE OF DP5_CONFORMATION2: MONOMERIC BETA-HAIRPIN *COMPND MOL_ID: 1; *COMPND 2 MOLECULE: DP5_CONFORMATION2; *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 BETA-HAIRPIN *EXPDTA NMR, 10 STRUCTURES *AUTHOR A.TAMURA, M.ARAKI *REVDAT 1 02-JAN-07 2DX4 0' save_