# EXCLUDED_RESIDUES HETATM # PDBID_LIST 3nf7 # POINT_FILE ../DUDE/pocket_res_ptf_dude_crys/3nf7_POC.ptf # PROPERTIES ATOM_TYPE_IS_C, ATOM_TYPE_IS_CT, ATOM_TYPE_IS_CA, # PROPERTIES ATOM_TYPE_IS_N, ATOM_TYPE_IS_N2, ATOM_TYPE_IS_N3, # PROPERTIES ATOM_TYPE_IS_NA, ATOM_TYPE_IS_O, ATOM_TYPE_IS_O2, # PROPERTIES ATOM_TYPE_IS_OH, ATOM_TYPE_IS_S, ATOM_TYPE_IS_SH, # PROPERTIES ATOM_TYPE_IS_OTHER, PARTIAL_CHARGE, ELEMENT_IS_ANY, # PROPERTIES ELEMENT_IS_C, ELEMENT_IS_N, ELEMENT_IS_O, ELEMENT_IS_S, # PROPERTIES ELEMENT_IS_OTHER, HYDROXYL, AMIDE, AMINE, CARBONYL, # PROPERTIES RING_SYSTEM, PEPTIDE, VDW_VOLUME, CHARGE, NEG_CHARGE, # PROPERTIES POS_CHARGE, CHARGE_WITH_HIS, HYDROPHOBICITY, MOBILITY, # PROPERTIES SOLVENT_ACCESSIBILITY, RESIDUE_NAME_IS_ALA, # PROPERTIES RESIDUE_NAME_IS_ARG, RESIDUE_NAME_IS_ASN, RESIDUE_NAME_IS_ASP, # PROPERTIES RESIDUE_NAME_IS_CYS, RESIDUE_NAME_IS_GLN, RESIDUE_NAME_IS_GLU, # PROPERTIES RESIDUE_NAME_IS_GLY, RESIDUE_NAME_IS_HIS, RESIDUE_NAME_IS_ILE, # PROPERTIES RESIDUE_NAME_IS_LEU, RESIDUE_NAME_IS_LYS, RESIDUE_NAME_IS_MET, # PROPERTIES RESIDUE_NAME_IS_PHE, RESIDUE_NAME_IS_PRO, RESIDUE_NAME_IS_SER, # PROPERTIES RESIDUE_NAME_IS_THR, RESIDUE_NAME_IS_TRP, RESIDUE_NAME_IS_TYR, # PROPERTIES RESIDUE_NAME_IS_VAL, RESIDUE_NAME_IS_HOH, # PROPERTIES RESIDUE_NAME_IS_OTHER, RESIDUE_CLASS1_IS_HYDROPHOBIC, # PROPERTIES RESIDUE_CLASS1_IS_CHARGED, RESIDUE_CLASS1_IS_POLAR, # PROPERTIES RESIDUE_CLASS1_IS_UNKNOWN, RESIDUE_CLASS2_IS_NONPOLAR, # PROPERTIES RESIDUE_CLASS2_IS_POLAR, RESIDUE_CLASS2_IS_BASIC, # PROPERTIES RESIDUE_CLASS2_IS_ACIDIC, RESIDUE_CLASS2_IS_UNKNOWN, # PROPERTIES SECONDARY_STRUCTURE1_IS_3HELIX, SECONDARY_STRUCTURE1_IS_4HELIX, # PROPERTIES SECONDARY_STRUCTURE1_IS_5HELIX, SECONDARY_STRUCTURE1_IS_BRIDGE, # PROPERTIES SECONDARY_STRUCTURE1_IS_STRAND, SECONDARY_STRUCTURE1_IS_TURN, # PROPERTIES SECONDARY_STRUCTURE1_IS_BEND, SECONDARY_STRUCTURE1_IS_COIL, # PROPERTIES SECONDARY_STRUCTURE1_IS_HET, SECONDARY_STRUCTURE1_IS_UNKNOWN, # PROPERTIES SECONDARY_STRUCTURE2_IS_HELIX, SECONDARY_STRUCTURE2_IS_BETA, # PROPERTIES SECONDARY_STRUCTURE2_IS_COIL, SECONDARY_STRUCTURE2_IS_HET, # PROPERTIES SECONDARY_STRUCTURE2_IS_UNKNOWN # SHELLS 6 # SHELL_WIDTH 1.25 # VERBOSITY 0 Env_3nf7_0 0 1 0 0 0 0 0 0 0 0 0 0 0 0.1303 1 1 0 0 0 0 0 0 0 0 0 0 33.51 0 0 0 0 1 1 5 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 0 0 1 0 0 0 0 0 0 0 0 1 0 0 0 0 0 3 0 0 0 0 0 0 0 0 0 0 0 -0.423 3 3 0 0 0 0 0 0 0 0 0 1 100.53 0 0 0 0 2 4 15 0 0 0 0 0 0 0 0 0 3 0 0 0 0 0 0 0 0 0 0 0 0 3 0 0 0 3 0 0 0 0 0 3 0 0 0 0 0 0 0 0 3 0 0 0 0 1 1 0 2 0 0 0 2 0 0 0 0 0 -1.4357 6 2 2 2 0 0 0 2 0 2 0 5 118.282 0 0 0 0 -3 3 34 0 0 0 0 0 0 0 0 0 5 1 0 0 0 0 0 0 0 0 0 0 0 6 0 0 0 6 0 0 0 0 0 6 0 0 0 0 0 0 0 0 6 0 0 0 0 3 6 0 0 0 0 0 4 1 0 0 0 0 -2.1192 14 9 0 5 0 0 0 0 0 4.5 0 10 361.703 0.333 0.333 0 0.333 -3 11 767 3 0 0 0 0 1 3 0 0 2 2 3 0 0 0 0 0 0 0 0 0 0 7 6 1 0 7 1 3 3 0 0 14 0 0 0 0 0 0 0 0 14 0 0 0 0 5 15 0 8 0 0 0 2 0 0 0 0 0 -2.4206 30 20 8 2 0 0 0 8 0 2 0 14 790.714 0.333 0.333 0 0.333 3 33 1746 2 0 0 0 0 5 3 1 0 6 3 7 1 0 0 0 0 0 0 1 0 1 13 10 5 2 13 6 7 3 1 0 30 0 0 0 0 0 0 0 0 30 0 0 0 0 4 15 1 4 0 0 1 4 1 0 0 0 0 -3.2256 30 20 5 5 0 0 0 4 0 4.5 0 18 800.998 0.333 0.333 0 0.333 -1 19 1352 1 0 0 0 0 2 3 2 0 7 1 3 1 0 0 0 0 0 0 6 0 4 16 6 2 6 16 4 3 3 4 0 30 0 0 0 0 0 0 0 0 30 0 0 0 0 # 21.903 -28.073 -11.371 # ILE 105 Env_3nf7_1 1 0 0 1 0 0 0 1 0 0 0 0 0 -0.7992 3 1 1 1 0 0 0 1 0 1 0 0 56.502 0 0 0 0 -2 8 63 0 0 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 3 0 0 3 0 0 0 0 3 0 0 0 0 0 0 0 0 3 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 -0.204 1 1 0 0 0 0 0 0 0 0 0 0 33.51 0 0 0 0 1 1 21 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 1 0 0 0 0 1 0 0 0 0 0 0 0 0 1 0 0 0 0 1 2 0 1 0 0 0 2 0 1 0 0 0 -1.1508 7 3 1 3 0 0 0 1 0 1 0 3 149.149 0 0 0 0 -3.5 1 123 0 0 2 0 0 0 0 0 0 1 0 0 0 0 0 0 1 0 0 0 0 3 1 0 3 3 1 3 0 0 3 0 3 0 0 4 0 0 0 0 0 3 4 0 0 0 3 5 0 1 0 0 0 2 0 1 0 0 0 -1.07 12 8 1 3 0 0 1 1 0 2 0 7 322.362 0 0 0 0 -0.5 10 531 0 0 2 0 0 0 1 0 0 2 0 1 2 0 0 0 3 0 0 0 0 1 4 2 5 1 4 5 1 1 1 0 8 0 0 4 0 0 0 0 0 8 4 0 0 0 4 11 0 4 0 0 0 2 0 0 1 0 0 -1.4121 22 15 4 2 1 0 0 4 0 2 0 15 608.707 0 0 0 0 -1 16 884 0 0 0 0 4 0 3 0 0 2 1 1 6 0 0 0 2 0 0 1 0 2 10 4 6 2 10 6 1 3 2 0 13 0 0 9 0 0 0 0 0 13 9 0 0 0 3 15 0 7 0 1 0 5 0 0 0 0 0 -4.5338 31 18 8 5 0 0 0 7 1 5 0 18 793.119 1 0 1 1 0 26 1994 0 0 0 0 1 0 3 0 0 4 4 7 0 0 0 4 1 0 0 4 0 3 12 10 6 3 12 6 7 3 3 0 23 0 0 8 0 0 0 0 0 23 8 0 0 0 # 12.5467 -35.6183 -11.36 # ASN 99 Env_3nf7_2 0 1 0 0 0 0 0 0 0 0 0 0 0 0.2985 1 1 0 0 0 0 0 0 0 0 0 0 33.51 0 0 0 0 1 1 17 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 1 0 0 0 1 3 0 1 0 0 0 0 0 0 0 0 0 -0.5442 5 4 1 0 0 0 0 1 0 0 0 3 148.177 0 0 0 0 1 4 85 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 5 0 0 5 0 0 0 5 0 0 0 0 0 0 0 0 5 0 0 0 0 0 0 5 0 0 0 1 0 0 1 0 0 0 1 0 0 0 0 0 -0.3863 3 1 1 1 0 0 0 1 0 1 0 3 59.141 0 0 0 0 -2 0 17 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 1 2 0 0 1 2 0 0 0 1 0 0 0 0 3 0 0 0 0 0 0 3 0 0 0 2 5 0 2 0 0 0 4 0 0 1 0 0 -2.5837 14 7 2 4 1 0 0 2 0 4 0 10 335.341 0 0 0 0 -2 10 272 2 0 0 0 0 4 0 0 0 1 0 0 2 0 0 0 0 0 1 1 0 3 6 0 5 3 6 5 0 0 3 0 2 0 0 10 1 0 1 0 0 2 11 1 0 0 4 13 2 5 0 0 0 2 0 0 0 0 0 -1.9259 26 19 5 2 0 0 0 5 0 2 2 16 716.385 0 0 0 0 2.5 20 442 2 0 0 0 0 2 0 4 0 3 1 0 1 0 0 0 0 4 2 6 0 1 13 0 8 5 17 8 0 0 1 0 1 0 0 16 3 0 6 0 0 1 19 6 0 0 6 14 5 4 0 0 1 6 0 2 0 0 0 -3.2349 38 25 5 8 0 0 1 4 0 6 4 17 947.337 0 0 0 0 0.5 40 655 1 0 0 0 0 2 2 0 0 6 3 0 1 0 0 2 0 7 2 5 0 7 16 2 13 7 23 6 0 2 7 0 4 0 0 26 6 0 2 0 0 4 32 2 0 0 # 8.737 -29.73 -5.219 # VAL 21 Env_3nf7_3 0 1 0 0 0 0 0 0 0 0 0 0 0 -0.0252 1 1 0 0 0 0 0 0 0 0 0 1 33.51 0 0 0 0 0 0 22 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 1 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 1 0 0 2 0 0 2 0 0 0 1 0 0 0 0 0 -0.2047 5 2 2 1 0 0 0 2 0 1 0 5 106.788 0 0 0 0 -3 0 72 0 0 0 0 0 0 0 3 0 0 0 0 0 0 0 1 0 0 1 0 0 0 0 0 2 3 0 5 0 0 0 0 0 0 0 0 1 0 4 0 0 0 1 4 0 0 0 0 0 0 0 0 0 2 0 0 0 0 0 -1.1358 2 0 0 2 0 0 0 0 0 2 0 2 22.988 0 0 0 0 -2 0 5 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 1 0 0 1 1 0 1 0 0 1 0 0 0 0 1 1 0 0 0 0 0 2 0 0 0 2 6 0 1 0 0 1 2 0 1 0 0 0 -1.6225 13 8 2 3 0 0 1 1 0 2 0 7 336.499 0 0 0 0 -2 7 169 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 4 0 0 4 2 0 2 3 0 8 2 3 8 0 0 2 0 2 0 0 2 5 0 4 0 0 2 7 4 0 0 3 9 3 4 2 0 1 2 0 0 0 0 0 -2.7054 24 15 7 2 0 0 0 4.5 1.5 2 0 14 628.4 0.666 0 0.666 0.666 -4.5 20 812 6 3 0 0 0 0 0 0 0 2 0 0 0 0 0 0 0 0 0 7 0 6 15 3 0 6 15 0 3 0 6 0 7 0 0 10 7 0 0 0 0 7 17 0 0 0 1 8 6 3 1 0 1 2 0 0 1 0 0 -3.0132 23 15 5 2 1 0 0 3.5 0.5 2 3 6 606.227 0.333 0 0.333 0.333 4.5 30 525 3 3 1 0 0 0 0 1 0 4 0 0 1 0 0 0 0 0 3 3 0 4 11 3 4 5 11 5 3 0 4 0 11 0 0 7 2 0 3 0 0 11 9 3 0 0 # 9.468 -24.487 -6.409 # GLY 26 Env_3nf7_4 0 0 0 0 0 1 0 0 0 0 0 0 0 -0.3853 1 0 1 0 0 0 0 0 1 0 0 0 33.51 1 0 1 1 1 5 115 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 1 0 0 0 0 0 0 0 0 0 1 0 0 0 0 1 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 -0.062 2 2 0 0 0 0 0 0 0 0 0 0 67.02 0 0 0 0 0 7 230 0 0 0 0 0 0 0 0 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 2 0 0 0 0 2 0 0 0 0 0 0 0 0 0 2 0 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 2 0 0 0 0 0 0 1 0 0 0 0 -0.8094 3 2 0 1 0 0 0 0 0 0.5 0 0 81.157 0.333 0.333 0 0.333 1 7 299 0 0 0 0 0 0 1 0 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 3 0 0 0 0 2 1 0 0 1 0 0 0 0 0 2 0 0 1 0 2 0 0 1 4 0 0 0 0 0 1 1 0 0 0 0 -0.6324 7 5 0 2 0 0 0 0 0 1.5 0 1 180.25 0.666 0.666 0 0.666 0 18 872 0 1 0 0 0 0 3 0 0 0 0 3 0 0 0 0 0 0 0 0 0 0 0 7 0 0 0 0 4 3 0 0 3 0 1 0 0 0 3 0 0 3 1 3 0 0 2 8 0 3 0 2 1 2 0 0 0 0 0 -3.1727 18 10 6 2 0 0 0 3 2 2 0 10 481.656 2 0 2 2 1 19 1955 0 3 0 0 0 0 1 0 0 4 0 9 0 0 0 0 0 0 0 0 0 1 4 13 0 1 4 0 12 1 1 0 7 0 3 0 0 0 8 0 0 7 3 8 0 0 # 17.658 -21.098 -14.573 # LYS 130 Env_3nf7_5 0 0 0 0 0 0 0 0 0 1 0 0 0 -0.6546 1 0 0 1 0 0 1 0 0 0 0 0 17.157 0 0 0 0 -1 2 82 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 1 0 0 1 0 0 0 0 1 0 0 0 0 0 0 0 0 1 0 0 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0.1868 2 2 0 0 0 0 0 0 0 0 0 1 67.02 0 0 0 0 0 1 164 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 2 0 0 0 0 0 0 0 0 2 0 0 2 0 0 0 0 2 0 0 0 0 0 0 0 0 2 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 0 0 -0.9835 2 0 1 1 0 0 0 1 0 1 0 2 25.631 0 0 0 0 -2 0 113 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 1 1 0 2 0 0 0 0 2 0 0 0 0 0 0 0 0 2 0 0 0 0 4 2 0 2 0 0 0 3 0 0 0 0 0 -0.2522 11 6 2 3 0 0 0 2 0 3 0 10 263.816 0 0 0 0 -4 1 983 0 0 0 0 0 0 3 1 0 0 0 0 1 0 0 2 0 0 0 4 0 0 5 3 2 1 5 3 0 3 0 0 11 0 0 0 0 0 0 0 0 11 0 0 0 0 1 6 0 2 0 0 0 1 0 0 0 0 0 -0.9418 10 7 2 1 0 0 0 2 0 1 0 7 274.338 0 0 0 0 0 4 815 0 0 0 0 0 0 2 1 0 3 0 1 1 0 0 0 0 0 0 2 0 0 6 3 0 1 6 1 1 2 0 0 10 0 0 0 0 0 0 0 0 10 0 0 0 0 3 9 0 4 0 0 0 2 1 0 0 0 0 -2.2085 19 12 4 3 0 0 0 4 0 2.5 0 10 482.862 0.666 0.666 0 0.666 -2 22 1968 0 0 1 0 0 3 5 1 0 1 0 5 2 0 0 0 0 0 0 1 0 0 4 10 4 1 4 5 5 5 0 0 19 0 0 0 0 0 0 0 0 19 0 0 0 0 # 9.722 -29.706 -17.876 # SER 97 Env_3nf7_6 0 1 0 0 0 0 0 0 0 0 0 0 0 0.1303 1 1 0 0 0 0 0 0 0 0 0 0 33.51 0 0 0 0 1 1 49 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 0 0 1 0 0 0 0 0 0 0 0 1 0 0 0 0 0 3 0 1 0 0 0 0 0 0 0 0 0 -0.8386 4 3 1 0 0 0 0 1 0 0 0 2 114.667 0 0 0 0 1 4 196 0 0 0 0 0 0 0 0 0 4 0 0 0 0 0 0 0 0 0 0 0 0 4 0 0 0 4 0 0 0 0 0 4 0 0 0 0 0 0 0 0 4 0 0 0 0 1 1 0 1 0 0 0 3 0 0 0 0 0 -1.6887 6 2 1 3 0 0 0 1 0 3 0 5 115.639 0 0 0 0 -3 3 433 0 0 0 0 0 1 1 0 0 3 0 0 0 0 0 1 0 0 0 0 0 0 3 1 2 0 3 2 0 1 0 0 6 0 0 0 0 0 0 0 0 6 0 0 0 0 3 3 0 1 0 0 0 2 0 0 0 0 0 0.2019 9 6 1 2 0 0 0 1 0 1 0 8 238.185 0 0 0 0 -3 0 783 0 0 0 0 0 2 1 0 0 0 0 0 0 0 0 1 0 0 0 4 0 1 4 1 3 1 4 3 0 1 1 0 8 0 0 1 0 0 0 0 0 8 1 0 0 0 4 11 0 5 0 0 0 2 0 1 0 0 0 -2.0071 23 15 5 3 0 0 0 5 0 2 0 9 605.178 0 0 0 0 1 22 1250 0 0 3 0 0 3 3 4 0 0 0 0 3 0 0 2 0 0 0 2 0 3 5 3 8 7 5 12 0 3 3 0 19 0 0 4 0 0 0 0 0 19 4 0 0 0 5 12 0 4 0 0 0 4 1 1 1 0 0 -3.4541 28 17 4 6 1 0 1 4 0 4.5 0 13 714.439 0.666 0.666 0 0.666 -3 35 1474 0 0 3 0 0 6 3 0 0 0 2 0 4 0 0 6 0 0 0 2 0 2 8 3 15 2 8 15 0 3 2 0 19 0 0 9 0 0 0 0 0 19 9 0 0 0 # 7.138 -34.173 -11.788 # ILE 95 Env_3nf7_7 1 0 0 1 0 0 0 1 0 0 0 0 0 -0.8541 3 1 1 1 0 0 0 1 0 1 0 0 56.502 0 0 0 0 -2 11 96 0 0 0 0 0 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 3 0 0 3 0 0 0 0 0 0 0 3 0 0 0 0 0 0 3 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 -0.0644 1 1 0 0 0 0 0 0 0 0 0 0 33.51 0 0 0 0 1 2 32 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 1 0 0 0 0 0 0 0 1 0 0 0 0 0 0 1 0 0 0 0 3 0 0 0 0 0 1 0 0 0 0 0 -0.6206 4 3 0 1 0 0 0 0 0 1 0 2 112.024 0 0 0 0 0.5 1 146 0 0 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 2 0 0 2 2 0 2 0 0 2 0 0 0 0 4 0 0 0 0 0 0 4 0 0 0 3 4 1 2 0 0 0 4 0 0 0 0 0 -1.4619 14 8 2 4 0 0 0 2 0 4 0 12 342.33 0 0 0 0 -4.5 3 330 0 0 0 0 0 3 0 2 0 1 4 0 0 0 0 0 1 0 0 0 0 3 5 0 4 5 5 6 0 0 3 0 1 0 0 10 0 0 3 0 0 1 10 3 0 0 4 6 1 5 0 0 1 2 0 0 0 0 0 -1.6603 19 11 6 2 0 0 0 5 0 2 0 13 476.42 0 0 0 0 -4 5 528 0 0 0 2 0 0 0 2 0 1 1 0 0 0 0 0 3 2 0 1 0 7 3 2 5 9 5 5 0 2 7 0 1 0 0 7 1 3 7 0 0 1 11 7 0 0 3 15 1 3 0 0 1 6 0 2 0 0 0 -4.2071 31 19 4 8 0 0 2 3 0 6 0 16 796.516 0 0 0 0 -3 19 1109 0 0 0 0 0 0 1 0 0 7 1 0 0 0 1 3 2 1 0 9 0 6 18 1 6 6 19 5 0 1 6 0 5 0 0 16 1 2 7 0 0 5 19 7 0 0 # 3.587 -34.643 -6.11167 # GLN 6 Env_3nf7_8 0 1 0 0 0 0 0 0 0 0 0 0 0 -0.1825 1 1 0 0 0 0 0 0 0 0 0 0 33.51 0 0 0 0 1 1 48 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 1 0 0 0 1 1 0 1 0 0 0 0 0 0 0 0 0 0.2153 3 2 1 0 0 0 0 1 0 0 0 3 81.157 0 0 0 0 -1 0 144 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 3 0 0 0 3 0 0 0 0 0 0 0 0 0 3 0 0 0 0 0 3 0 0 0 1 0 0 1 0 0 0 1 0 0 0 0 0 -0.3863 3 1 1 1 0 0 0 1 0 1 0 3 59.141 0 0 0 0 -2 0 136 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0 2 0 1 0 2 1 0 0 0 0 0 0 0 0 3 0 0 0 0 0 3 0 0 0 1 5 1 0 0 0 2 2 0 1 0 0 0 -2.1393 12 7 2 3 0 0 1 0 0 2 0 5 302.989 0 0 0 0 -2.5 8 639 0 0 0 0 0 0 0 0 0 2 0 0 0 0 0 5 0 0 0 2 0 3 4 0 5 3 4 5 0 0 3 0 2 0 0 3 3 0 4 0 0 2 6 4 0 0 3 7 2 3 0 0 0 2 0 1 0 0 0 -0.8992 18 12 3 3 0 0 1 3 0 2 0 10 484.676 0 0 0 0 -1 9 597 0 0 0 0 0 0 0 1 0 3 0 0 0 0 3 4 0 0 0 3 0 4 9 0 4 5 9 5 0 0 4 0 2 0 0 5 9 0 2 0 0 2 14 2 0 0 2 14 0 3 0 0 0 3 0 0 0 0 0 -2.1848 22 16 3 3 0 0 0 3 0 3 0 13 613.053 0 0 0 0 1.5 13 851 0 3 0 0 0 0 0 2 0 8 0 0 0 0 4 2 0 0 0 1 0 2 13 3 2 4 13 4 3 0 2 0 5 0 0 8 7 0 2 0 0 5 15 2 0 0 # 3.009 -22.219 -3.472 # ALA 24 Env_3nf7_9 0 1 0 0 0 0 0 0 0 0 0 0 0 0.2985 1 1 0 0 0 0 0 0 0 0 0 0 33.51 0 0 0 0 1 1 95 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 1 0 0 0 1 0 0 0 0 0 1 0 0 0 0 0 0 0 0 1 0 0 0 0 0 3 0 0 0 0 0 0 0 0 0 0 0 -0.7258 3 3 0 0 0 0 0 0 0 0 0 1 100.53 0 0 0 0 2 4 285 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 3 0 0 3 0 0 0 3 0 0 0 0 0 3 0 0 0 0 0 0 0 0 3 0 0 0 0 2 0 0 2 0 0 0 2 0 0 0 0 0 -0.7726 6 2 2 2 0 0 0 2 0 2 0 6 118.282 0 0 0 0 -4 0 516 0 0 0 0 0 1 0 1 0 1 0 0 0 0 0 0 0 0 0 3 0 0 4 0 1 1 4 2 0 0 0 0 6 0 0 0 0 0 0 0 0 6 0 0 0 0 2 3 0 0 0 0 0 2 0 0 0 0 0 -0.0512 7 5 0 2 0 0 0 0 0 2 0 7 190.538 0 0 0 0 -2 0 412 0 0 0 0 0 1 0 2 0 1 0 0 0 0 0 3 0 0 0 0 0 0 1 0 4 2 1 6 0 0 0 0 7 0 0 0 0 0 0 0 0 7 0 0 0 0 2 8 0 6 0 0 0 1 0 2 0 0 0 -2.8404 19 10 6 3 0 0 2 6 0 1 0 11 465.73 0 0 0 0 -5 12 1623 0 0 0 0 0 7 1 1 0 3 0 0 1 0 0 6 0 0 0 0 0 0 4 1 13 1 4 14 0 1 0 0 19 0 0 0 0 0 0 0 0 19 0 0 0 0 3 7 0 1 0 0 0 2 0 0 0 0 0 -0.0344 13 10 1 2 0 0 0 1 0 2 0 8 359.294 0 0 0 0 1 10 1138 0 0 0 0 0 2 3 0 0 3 0 0 2 0 1 2 0 0 0 0 0 0 6 3 4 0 6 4 0 3 0 0 12 0 0 0 1 0 0 0 0 12 1 0 0 0 # 5.543 -29.264 -13.683 # VAL 94 Env_3nf7_10 0 1 0 0 0 0 0 0 0 0 0 0 0 0.2985 1 1 0 0 0 0 0 0 0 0 0 0 33.51 0 0 0 0 1 1 83 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 1 0 0 0 0 3 0 1 0 0 0 0 0 0 0 0 0 -1.1414 4 3 1 0 0 0 0 1 0 0 0 2 114.667 0 0 0 0 1 4 332 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 4 0 0 4 0 0 0 4 0 0 0 0 0 0 0 0 0 4 0 0 0 0 0 4 0 0 0 2 0 0 1 0 0 0 1 0 0 0 0 0 0.2109 4 2 1 1 0 0 0 1 0 1 0 4 92.651 0 0 0 0 -2 0 214 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 2 0 1 3 0 0 1 3 0 0 0 1 0 0 0 0 1 3 0 0 0 0 0 4 0 0 0 1 4 0 0 0 0 0 3 0 0 0 0 0 -1.3209 8 5 0 3 0 0 0 0 0 3 0 6 202.032 0 0 0 0 -1 3 241 1 0 0 0 0 0 0 0 0 4 0 0 0 0 0 0 0 0 0 1 0 2 6 0 0 2 6 0 0 0 2 0 0 0 0 7 1 0 0 0 0 0 8 0 0 0 3 10 2 5 0 0 1 2 0 0 0 0 0 -2.4124 23 15 6 2 0 0 0 5 0 2 0 13 610.46 0 0 0 0 -0.5 10 528 2 0 0 0 0 3 0 0 0 4 0 0 0 0 0 2 0 4 0 3 0 5 9 0 9 5 13 5 0 0 5 0 0 0 0 19 3 0 1 0 0 0 22 1 0 0 5 8 6 2 0 0 2 3 0 2 0 0 0 -1.9072 28 19 4 5 0 0 2 2 0 3 3 12 716.252 0 0 0 0 -2.5 25 843 1 0 0 0 0 5 0 3 0 0 0 0 0 0 0 7 0 4 0 3 0 5 4 0 16 8 8 15 0 0 5 0 0 0 0 17 5 0 6 0 0 0 22 6 0 0 # 3.213 -27.403 -4.817 # VAL 23 Env_3nf7_11 0 0 0 0 0 0 0 0 0 1 0 0 0 -0.6546 1 0 0 1 0 0 1 0 0 0 0 0 17.157 0 0 0 0 -1 2 5 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 1 0 0 1 0 0 0 0 0 0 0 0 1 0 0 0 0 0 1 0 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0.1868 2 2 0 0 0 0 0 0 0 0 0 1 67.02 0 0 0 0 0 1 10 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 2 0 0 0 0 0 0 0 0 2 0 0 2 0 0 0 0 0 0 0 0 2 0 0 0 0 0 2 0 0 0 1 3 1 3 0 0 1 2 0 0 0 0 0 -2.0341 11 5 4 2 0 0 0 3 0 2 0 6 247.086 0 0 0 0 -3 2 39 0 0 0 0 0 0 0 1 0 1 0 0 0 0 0 3 0 0 2 0 0 4 1 0 5 5 1 6 0 0 4 0 1 0 0 4 3 0 3 0 0 1 7 3 0 0 6 8 3 1 0 0 1 3 0 0 0 0 0 0.6889 22 17 2 3 0 0 0 1 0 3 1 14 619.495 0 0 0 0 1 10 288 4 2 0 0 0 0 0 2 0 5 0 0 0 0 0 0 0 0 4 0 0 5 9 2 4 7 9 6 2 0 5 0 9 0 0 5 2 0 6 0 0 9 7 6 0 0 2 8 2 6 1 0 0 4 0 0 0 0 0 -5.1106 23 12 7 4 0 0 0 6 1 4 2 16 539.519 0 0 0 0 -5 17 919 5 5 0 0 0 0 0 2 0 4 0 0 0 0 0 0 0 0 2 4 0 1 13 5 2 3 13 4 5 0 1 0 11 0 0 2 7 0 3 0 0 11 9 3 0 0 5 11 9 3 1 0 0 6 0 0 0 0 0 -3.596 35 25 4 6 0 0 0 3.5 0.5 6 9 15 885.838 0.666 0 0.666 0.666 4 72 768 1 3 1 0 0 0 3 3 0 6 0 0 0 0 0 2 0 6 3 7 0 0 14 6 12 3 20 9 3 3 0 0 16 0 2 12 1 1 3 0 0 16 16 3 0 0 # 8.578 -22.689 -2.663 # SER 25 Env_3nf7_12 1 0 0 0 0 0 0 0 2 0 0 0 0 -0.832 3 1 0 2 0 0 0 0 0 1 0 0 48.853 0.999 0.999 0 0.999 -2 11 207 0 0 0 0 0 0 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 3 0 0 0 0 0 3 0 0 3 0 0 0 0 0 0 0 0 3 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0.0136 1 1 0 0 0 0 0 0 0 0 0 0 33.51 0 0 0 0 1 2 69 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 1 0 0 1 0 0 0 0 0 0 0 0 1 0 0 0 0 0 2 0 0 0 0 0 1 0 0 0 0 0 -0.4862 3 2 0 1 0 0 0 0 0 1 0 2 78.514 0 0 0 0 0 1 207 0 0 0 0 0 0 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 3 0 0 0 0 0 3 0 0 3 0 0 0 0 0 0 0 0 3 0 0 0 0 1 5 0 2 0 0 0 0 0 0 0 0 0 -0.5428 8 6 2 0 0 0 0 2 0 0 0 3 229.334 0 0 0 0 3 11 526 0 0 0 0 0 0 2 0 0 2 1 3 0 0 0 0 0 0 0 0 0 0 3 5 0 0 3 0 3 2 0 0 8 0 0 0 0 0 0 0 0 8 0 0 0 0 2 5 0 2 0 2 0 2 0 0 0 0 0 -1.4586 13 7 4 2 0 0 0 2 2 2 0 9 352.852 2 0 2 2 -2 15 1166 0 0 0 0 0 0 0 0 0 3 1 8 0 0 0 1 0 0 0 0 0 0 4 8 1 0 4 1 8 0 0 0 12 0 0 0 0 0 1 0 0 12 0 1 0 0 5 9 0 3 0 0 1 5 0 0 0 0 0 -2.6215 23 14 4 5 0 0 0 3 0 5 0 12 580.519 0 0 0 0 -6 28 1921 0 0 1 0 0 3 0 0 0 1 3 10 3 0 0 1 0 0 0 0 0 1 7 10 5 1 7 5 10 0 1 0 21 0 0 0 0 0 2 0 0 21 0 2 0 0 # 17.9517 -26.4557 -15.2433 # GLU 101 Env_3nf7_13 0 0 0 0 0 1 0 0 0 0 0 0 0 -0.3853 1 0 1 0 0 0 0 0 1 0 0 0 33.51 1 0 1 1 1 5 172 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 1 0 0 0 0 0 0 0 0 0 1 0 0 0 0 1 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 -0.062 2 2 0 0 0 0 0 0 0 0 0 0 67.02 0 0 0 0 0 7 344 0 0 0 0 0 0 0 0 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 2 0 0 0 0 2 0 0 0 0 0 0 0 0 0 2 0 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0.0093 2 2 0 0 0 0 0 0 0 0 0 0 67.02 0 0 0 0 2 3 344 0 0 0 0 0 0 0 0 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 2 0 0 0 0 2 0 0 0 0 0 0 0 0 0 2 0 0 0 0 2 0 0 1 1 0 0 1 0 0 1 0 0 0 0 0 -0.9578 4 2 1 1 0 0 0 0.5 0.5 1 0 3 102.943 0.333 0 0.333 0.333 -2 6 587 0 1 0 0 0 0 0 0 0 0 0 3 0 0 0 0 0 0 0 0 0 0 0 4 0 0 0 0 4 0 0 0 1 0 0 0 0 0 3 0 0 1 0 3 0 0 1 3 2 1 2 1 1 3 0 0 0 0 0 -2.7534 14 6 5 3 0 0 0 1.5 2.5 3 0 5 329.403 1.666 0 1.666 1.666 -4.5 29 1351 0 5 0 0 0 0 0 0 0 0 0 6 0 0 0 1 0 0 0 0 0 2 0 11 1 2 0 1 11 0 2 0 5 0 2 0 1 0 6 0 0 5 3 6 0 0 # 11.427 -21.267 -13.087 # LYS 132 Env_3nf7_14 0 0 1 0 0 0 0 0 0 0 0 0 0 0.8076 1 1 0 0 0 0 0 0 0 0 0 0 20.579 0.333 0 0.333 0.333 0 5 71 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 3 0 0 0 0 0 0 0 0 -2.2547 3 0 3 0 0 0 0 1 2 0 0 0 69.437 0.666 0 0.666 0.666 -3 16 213 0 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 3 0 0 0 0 3 0 0 0 3 0 0 0 0 0 0 0 0 3 0 0 0 0 1 2 0 1 0 0 0 2 0 0 0 0 0 -0.8667 6 3 1 2 0 0 0 1 0 2 0 4 137.655 0 0 0 0 -2 5 162 1 2 0 0 0 0 0 0 0 0 0 0 0 0 0 3 0 0 0 0 0 0 1 2 3 0 1 3 2 0 0 0 3 0 2 0 1 0 0 0 0 3 3 0 0 0 3 5 0 1 0 0 0 1 0 0 0 0 0 0.6245 10 8 1 1 0 0 0 1 0 1 0 7 293.711 0 0 0 0 1 3 519 3 1 0 0 0 0 0 0 0 0 0 1 0 0 0 3 0 0 2 0 0 0 3 2 5 0 3 5 2 0 0 0 4 0 2 0 1 0 3 0 0 4 3 3 0 0 1 11 0 5 0 0 0 3 0 0 0 0 0 -3.1453 20 12 5 3 0 0 0 5 0 3 0 14 507.287 0 0 0 0 -6 12 1924 1 2 0 0 0 0 0 3 0 0 0 8 0 0 0 3 0 0 3 0 0 0 1 10 6 3 1 9 10 0 0 0 4 0 1 0 2 0 13 0 0 4 3 13 0 0 8 5 2 4 0 1 0 5 1 2 0 0 0 -2.3959 28 15 5 8 0 0 2 4 1 5.5 2 21 678.709 1.333 0.333 1 1.333 -8 19 1500 2 4 1 0 0 0 5 5 0 1 0 2 0 0 0 3 0 0 4 0 0 1 3 11 8 6 3 13 6 5 1 0 12 0 3 0 4 0 9 0 0 12 7 9 0 0 # 10.452 -18.591 -7.477 # ARG 139 Env_3nf7_15 0 1 0 0 0 0 0 0 0 0 0 0 0 -0.1102 1 1 0 0 0 0 0 0 0 0 0 0 33.51 0 0 0 0 1 1 9 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 0 0 1 0 0 0 0 0 0 0 0 1 0 0 0 0 1 2 0 1 0 0 0 0 0 0 0 0 0 0.4829 4 3 1 0 0 0 0 1 0 0 0 3 114.667 0 0 0 0 0 2 36 0 0 0 0 0 0 0 0 0 0 4 0 0 0 0 0 0 0 0 0 0 0 4 0 0 0 4 0 0 0 0 0 4 0 0 0 0 0 0 0 0 4 0 0 0 0 1 2 0 1 0 0 0 3 0 0 0 0 0 -2.3391 7 3 1 3 0 0 0 1 0 3 0 5 149.149 0 0 0 0 -2 6 222 0 0 1 0 0 0 1 0 0 0 3 1 1 0 0 0 0 0 0 0 0 0 4 2 1 0 4 1 1 1 0 0 7 0 0 0 0 0 0 0 0 7 0 0 0 0 2 4 0 0 0 0 0 1 0 0 0 0 0 0.3606 7 6 0 1 0 0 0 0 0 1 0 6 212.554 0 0 0 0 0 3 290 0 0 2 0 0 0 2 0 0 1 0 1 1 0 0 0 0 0 0 0 0 0 2 3 2 0 2 2 1 2 0 0 7 0 0 0 0 0 0 0 0 7 0 0 0 0 3 18 0 6 0 0 0 2 0 0 0 0 0 -2.6159 29 21 6 2 0 0 0 6 0 2 0 11 798.589 0 0 0 0 8 34 1408 1 0 4 0 0 0 3 0 0 9 0 8 2 0 0 0 1 0 0 1 0 0 13 11 5 0 13 5 8 3 0 0 25 0 0 4 0 0 0 0 0 25 4 0 0 0 5 22 1 3 0 0 1 4 1 2 1 0 0 -4.9812 40 28 4 7 1 0 1 3 0 4.5 0 14 1107.47 0.666 0.666 0 0.666 5 47 1407 4 0 1 0 0 0 2 0 0 9 0 7 4 0 0 2 2 0 0 5 0 4 22 9 5 4 22 5 7 2 4 0 30 0 0 10 0 0 0 0 0 30 10 0 0 0 # 17.576 -31.832 -10.376 # LEU 102 Env_3nf7_16 0 0 0 0 0 0 0 0 0 0 1 0 0 -0.2736 1 0 0 0 1 0 0 0 0 0 0 0 26.521 0 0 0 0 1 3 30 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 0 0 1 0 0 0 0 0 0 0 0 1 0 0 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 -0.0518 2 2 0 0 0 0 0 0 0 0 0 0 67.02 0 0 0 0 2 6 60 0 0 0 0 0 0 0 0 0 0 0 0 2 0 0 0 0 0 0 0 0 0 2 0 0 0 2 0 0 0 0 0 2 0 0 0 0 0 0 0 0 2 0 0 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 -0.285 2 2 0 0 0 0 0 0 0 0 0 0 67.02 0 0 0 0 2 3 47 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 1 0 0 2 0 0 0 2 0 0 0 0 0 1 0 0 1 0 0 0 0 0 1 1 0 0 0 1 5 0 0 0 0 0 1 0 1 0 0 0 -1.2922 8 6 0 2 0 0 0 0 0 1 0 3 224.048 0 0 0 0 2 7 131 0 0 0 0 0 0 0 0 0 1 0 0 3 0 0 0 0 0 0 3 0 1 7 0 0 1 7 0 0 0 1 0 3 0 0 5 0 0 0 0 0 3 5 0 0 0 4 11 1 3 0 0 1 4 0 0 0 0 0 -1.3288 24 16 4 4 0 0 0 3 0 4 0 11 625.753 0 0 0 0 0.5 19 532 1 0 4 0 0 0 0 1 0 6 2 0 1 0 0 0 0 0 0 5 0 4 15 0 4 5 15 5 0 0 4 0 13 0 0 10 0 0 1 0 0 13 10 1 0 0 7 15 2 9 0 0 1 7 0 0 0 0 0 -6.2207 41 24 10 7 0 0 0 9 0 6 0 26 1036.36 0 0 0 0 -6 21 1145 3 0 3 0 0 3 1 2 0 7 3 0 0 0 0 2 0 0 3 7 0 7 20 1 11 9 20 13 0 1 7 0 19 0 0 17 0 0 5 0 0 19 17 5 0 0 # 11.259 -30.498 -8.591 # MET 98 Env_3nf7_17 0 1 0 0 0 0 0 0 0 0 0 0 0 0.1303 1 1 0 0 0 0 0 0 0 0 0 0 33.51 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 1 0 0 0 1 3 0 1 0 0 0 0 0 0 0 0 0 -0.2414 5 4 1 0 0 0 0 1 0 0 0 3 148.177 0 0 0 0 1 4 0 0 0 0 0 0 0 0 0 0 5 0 0 0 0 0 0 0 0 0 0 0 0 5 0 0 0 5 0 0 0 0 0 0 0 0 5 0 0 0 0 0 0 5 0 0 0 1 1 0 1 0 0 0 3 0 0 0 0 0 -1.6887 6 2 1 3 0 0 0 1 0 3 0 5 115.639 0 0 0 0 -3 3 9 1 0 0 0 0 0 1 0 0 2 0 0 0 0 0 0 0 0 2 0 0 0 3 1 2 0 3 2 0 1 0 0 0 0 0 4 0 0 2 0 0 0 4 2 0 0 2 5 1 0 0 0 1 3 0 0 0 0 0 -1.7967 12 8 1 3 0 0 0 0 0 3 0 7 316.699 0 0 0 0 -1.5 7 170 1 0 1 0 0 0 3 1 0 0 0 0 0 0 0 0 0 0 1 3 0 2 4 3 2 3 4 3 0 3 2 0 3 0 0 7 0 0 2 0 0 3 7 2 0 0 4 19 5 6 0 0 1 1 0 0 1 0 0 -3.4542 37 28 7 1 1 0 0 6 0 1 3 13 1045.71 0 0 0 0 11.5 43 379 5 0 2 0 0 0 2 1 0 0 2 0 2 0 0 0 0 0 5 13 0 5 22 2 7 6 22 8 0 2 5 0 15 0 0 16 0 0 6 0 0 15 16 6 0 0 4 10 5 3 0 0 0 3 0 1 0 0 0 -2.5085 26 19 3 4 0 0 1 3 0 3 6 12 669.933 0.333 0.333 0 0.333 3.5 43 199 3 0 3 0 0 0 1 1 0 0 1 0 1 0 0 0 0 3 4 5 0 4 10 1 10 5 13 8 0 1 4 0 11 0 0 10 0 0 5 0 0 11 10 5 0 0 # 13.86 -28.77 -4.182 # ILE 28