# EXCLUDED_RESIDUES HETATM # PDBID_LIST 1j4h # POINT_FILE ../DUDE/pocket_res_ptf_dude_crys/1j4h_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_1j4h_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 6 0 0 0 0 0 0 0 0 0 0 -0.6869 6 6 0 0 0 0 0 0 0 0 6 0 153.184 0 0 0 0 6 21 444 0 0 0 0 0 0 0 0 0 0 0 0 0 6 0 0 0 0 0 0 0 0 6 0 0 0 6 0 0 0 0 0 0 0 0 6 0 0 0 0 0 0 6 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 -0.0342 1 1 0 0 0 0 0 0 0 0 0 0 33.51 0 0 0 0 1 1 74 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 0 1 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 1 0 0 0 2 3 2 2 0 0 0 2 0 0 0 0 0 -1.2255 11 7 2 2 0 0 0 2 0 2 2 8 271.854 0 0 0 0 -1 8 674 0 0 0 0 0 0 0 0 0 0 0 4 0 6 0 0 0 0 1 0 0 0 6 4 1 0 6 1 4 0 0 0 0 0 0 11 0 0 0 0 0 0 11 0 0 0 1 4 6 1 0 0 0 0 0 1 0 0 0 -2.1992 13 11 1 1 0 0 1 1 0 0 7 2 339.097 0 0 0 0 7 40 317 0 0 0 0 0 0 0 0 0 0 0 1 0 4 0 0 0 3 3 2 0 0 6 1 6 0 9 3 1 0 0 0 3 0 0 9 0 1 0 0 0 3 10 0 0 0 3 8 9 1 1 0 0 5 1 0 0 0 0 -3.6815 28 20 2 6 0 0 0 1.5 0.5 5.5 9 11 699.646 0.666 0.333 0.333 0.666 5 51 710 0 1 0 0 1 0 2 0 0 0 0 1 0 5 2 1 0 3 4 8 0 0 15 4 9 0 18 6 2 2 0 0 3 0 0 17 2 2 4 0 0 3 21 4 0 0 # -40.2425 37.6855 36.4557 # PHE 46 Env_1j4h_1 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 6 0 0 0 0 0 0 0 0 0 0 -0.6869 6 6 0 0 0 0 0 0 0 0 6 0 153.184 0 0 0 0 6 21 78 0 0 0 0 0 0 0 0 0 0 0 0 0 6 0 0 0 0 0 0 0 0 6 0 0 0 6 0 0 0 0 0 0 0 0 6 0 0 0 0 0 0 6 0 0 0 0 1 0 0 0 0 1 0 0 0 0 0 0 -0.376 2 1 1 0 0 0 0 0 1 0 1 0 54.089 0 0 0 0 0 5 23 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 0 1 0 1 0 2 0 0 0 0 0 1 0 0 1 0 0 0 0 0 1 1 0 0 0 1 4 4 2 0 0 0 2 0 0 0 0 0 -1.9666 13 9 2 2 0 0 0 2 0 2 4 7 318.954 0 0 0 0 0 21 181 0 0 0 0 0 0 0 2 0 1 1 0 0 3 0 0 1 3 0 2 0 0 7 0 4 2 10 3 0 0 0 0 3 0 0 10 0 0 0 0 0 3 10 0 0 0 4 10 8 3 0 0 0 4 0 0 0 0 0 -3.2904 29 22 3 4 0 0 0 3 0 4 8 13 751.869 0 0 0 0 9 45 477 0 0 0 1 0 0 0 1 0 2 8 0 2 4 0 0 1 3 4 3 0 0 19 1 8 1 22 6 0 1 0 0 3 0 0 25 0 0 1 0 0 3 25 1 0 0 5 18 8 5 0 0 0 3 0 1 0 0 0 -3.2596 40 31 5 4 0 0 1 5 0 3 9 18 1086.35 0 0 0 0 11 62 874 0 0 0 4 0 0 0 1 0 5 6 0 4 3 0 0 2 5 7 3 0 0 21 4 14 1 26 10 0 4 0 0 5 0 1 32 1 0 1 0 0 5 34 1 0 0 # -40.2783 39.6602 26.7817 # PHE 99 Env_1j4h_2 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 0 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 1 0 0 0 0 0 0 1 0 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 54 0 0 0 0 0 0 0 3 0 0 0 0 1 0 0 0 1 0 0 0 0 0 1 0 1 3 1 4 0 0 0 0 0 0 0 5 0 0 0 0 0 0 5 0 0 0 0 0 2 0 0 0 0 2 0 0 0 0 0 -1.4316 4 2 0 2 0 0 0 0 0 2 2 2 76.03 0 0 0 0 0 7 70 0 0 0 0 0 0 0 0 0 0 0 0 0 2 0 0 1 0 0 1 0 0 3 0 1 0 3 1 0 0 0 0 0 0 0 4 0 0 0 0 0 0 4 0 0 0 3 8 10 2 0 0 0 2 0 0 0 0 0 -1.3906 25 21 2 2 0 0 0 2 0 2 10 10 673.198 0 0 0 0 10 41 830 0 0 0 3 0 0 0 0 0 0 0 0 5 11 0 0 4 0 1 1 0 0 17 3 5 0 17 5 0 3 0 0 0 0 0 25 0 0 0 0 0 0 25 0 0 0 4 9 3 6 0 0 0 2 0 1 1 0 0 -2.9871 26 16 6 3 1 0 1 6 0 2 3 16 660.739 0 0 0 0 0 24 1180 0 0 0 3 0 0 0 0 0 0 1 4 2 7 0 1 1 0 5 2 0 0 12 7 7 0 12 7 4 3 0 0 0 0 0 24 0 0 2 0 0 0 24 2 0 0 5 16 4 1 0 0 1 4 1 1 0 0 0 -2.4965 33 25 2 6 0 0 1 1 1 4.5 6 13 889.976 0.666 0.666 0 0.666 3 58 1267 0 0 0 6 0 0 0 0 0 0 7 6 0 2 0 2 0 3 5 2 0 0 11 12 10 0 14 7 6 6 0 0 3 0 0 28 0 0 2 0 0 3 28 2 0 0 # -41.346 36.001 25.35 # GLY 28 Env_1j4h_3 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 11 291 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 0 0 0 0 0 0 3 0 0 0 0 3 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 97 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 0 0 0 0 0 0 1 0 0 0 0 1 0 0 0 1 0 1 0 0 0 0 0 0 0 0 0 -0.3596 2 1 1 0 0 0 0 1 0 0 0 1 47.647 0 0 0 0 0 1 160 0 0 0 0 0 0 1 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 1 1 0 0 1 0 0 1 0 0 0 0 0 1 0 0 1 0 0 0 1 1 0 0 2 9 0 1 0 0 0 2 0 0 0 0 0 -0.5715 14 11 1 2 0 0 0 1 0 2 0 8 405.735 0 0 0 0 1 12 1107 0 0 0 0 0 0 4 0 0 0 0 4 3 3 0 0 0 0 0 0 0 0 6 8 0 0 6 0 4 4 0 0 0 0 0 6 0 4 4 0 0 0 10 4 0 0 4 3 2 2 0 1 0 3 0 0 0 0 0 -0.9717 15 9 3 3 0 0 0 2 1 3 2 10 377.936 1 0 1 1 0 14 1059 0 0 0 0 0 1 0 0 0 0 0 6 2 4 0 0 0 0 0 2 0 0 8 6 1 0 8 1 6 0 0 0 0 0 0 8 0 6 1 0 0 0 14 1 0 0 1 8 5 3 0 0 0 1 1 1 1 0 0 -4.3618 21 14 3 3 1 0 1 3 0 1.5 5 9 545.915 0.333 0.333 0 0.333 4 38 1200 0 0 0 0 0 3 1 0 0 0 3 2 2 5 0 0 2 0 0 3 0 0 13 3 5 0 13 5 2 1 0 0 1 0 0 10 3 4 3 0 0 1 17 3 0 0 # -36.6087 42.3303 41.225 # GLU 54 Env_1j4h_4 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 8 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 1 0 0 0 0 0 0 0 1 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 32 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 0 0 4 0 0 0 0 0 0 0 4 0 0 0 2 1 0 1 0 0 0 1 0 0 0 0 0 0.3059 5 3 1 1 0 0 0 1 0 1 0 4 126.161 0 0 0 0 -1 3 168 0 0 0 0 0 0 0 0 0 4 0 0 0 0 1 0 0 0 0 0 0 0 5 0 0 0 5 0 0 0 0 0 0 0 3 0 1 0 1 0 0 0 4 1 0 0 2 9 3 1 0 0 0 3 0 0 0 0 0 -2.6593 18 14 1 3 0 0 0 1 0 3 3 10 490.85 0 0 0 0 3 19 1172 0 0 0 0 0 0 0 2 5 3 2 0 0 0 3 0 0 0 3 0 0 0 8 0 8 2 8 5 5 0 0 0 0 0 5 1 6 0 6 0 0 0 12 6 0 0 2 10 7 3 0 0 0 1 0 0 0 0 0 -1.864 23 19 3 1 0 0 0 3 0 1 8 5 622.799 0 0 0 0 11 48 1294 1 0 0 0 0 0 0 2 2 3 4 0 0 3 4 0 0 0 4 0 0 0 15 0 6 2 15 6 2 0 0 0 0 0 2 5 8 0 8 0 0 0 15 8 0 0 6 12 4 4 0 0 2 6 0 1 0 0 0 -3.3215 35 22 6 7 0 0 1 5 1 6 6 21 880.707 0 0 0 1 -5 34 2410 5 0 0 0 0 0 0 4 3 1 2 0 0 4 9 0 2 0 5 0 0 0 21 0 10 4 21 11 3 0 0 0 0 0 3 5 22 0 5 0 0 0 30 5 0 0 # -31.784 37.093 23.993 # ILE 91 Env_1j4h_5 0 0 1 0 0 0 2 0 0 0 0 0 0 -0.6593 3 1 2 0 0 0 0 1 1 0 3 0 61.237 0 0 0 1 -2 11 270 0 0 0 0 0 0 0 0 3 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 3 0 0 0 0 0 0 0 3 0 0 0 0 0 2 0 0 0 0 0 0 0 0 0 0 -0.0338 2 2 0 0 0 0 0 0 0 0 2 0 47.1 0 0 0 0 0 5 180 0 0 0 0 0 0 0 0 2 0 0 0 0 0 0 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 2 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 -0.0074 1 1 0 0 0 0 0 0 0 0 0 0 33.51 0 0 0 0 1 1 90 0 0 0 0 0 0 0 0 1 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 1 0 0 0 0 0 0 0 1 0 0 0 2 2 1 1 0 0 0 2 0 1 0 0 0 -1.6479 9 5 1 3 0 0 1 1 0 2 2 5 201.912 0 0 0 0 -2 17 808 0 0 0 0 0 0 0 0 3 1 0 0 0 0 2 0 0 0 3 0 0 0 3 0 6 0 3 3 3 0 0 0 0 0 3 0 6 0 0 0 0 0 9 0 0 0 2 2 4 1 0 0 0 1 0 0 0 0 0 -0.42 10 8 1 1 0 0 0 1 0 1 4 5 259.813 0 0 0 0 2 13 750 0 0 0 0 0 0 0 2 1 0 0 0 0 0 3 0 0 0 4 0 0 0 3 0 5 2 3 6 1 0 0 0 0 0 1 0 7 0 2 0 0 0 8 2 0 0 2 13 0 3 0 0 0 1 0 0 0 0 0 -0.7507 19 15 3 1 0 0 0 3 0 1 0 10 556.555 0 0 0 0 5 16 1089 0 0 0 0 0 0 0 4 0 12 0 0 0 0 2 0 0 0 1 0 0 0 14 0 1 4 14 5 0 0 0 0 0 0 6 0 12 0 1 0 0 0 18 1 0 0 # -29.568 36.394 30.3355 # HIS 87 Env_1j4h_6 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 6 0 0 0 0 0 0 0 0 0 0 -0.6869 6 6 0 0 0 0 0 0 0 0 6 0 153.184 0 0 0 0 6 21 306 0 0 0 0 0 0 0 0 0 0 0 0 0 6 0 0 0 0 0 0 0 0 6 0 0 0 6 0 0 0 0 0 0 0 0 6 0 0 0 0 0 0 6 0 0 0 1 1 0 0 0 0 0 1 0 0 0 0 0 -0.0049 3 2 0 1 0 0 0 0 0 1 0 2 78.514 0 0 0 0 0 1 51 0 0 0 0 0 0 0 2 0 0 0 0 0 1 0 0 0 0 0 0 0 0 1 0 0 2 1 2 0 0 0 0 0 0 0 3 0 0 0 0 0 0 3 0 0 0 2 9 0 4 0 0 0 1 0 0 0 0 0 -1.848 16 11 4 1 0 0 0 4 0 1 0 10 436.652 0 0 0 0 1 14 666 0 0 0 2 0 0 0 1 0 4 2 0 3 4 0 0 0 0 0 0 0 0 13 2 0 1 13 1 0 2 0 0 0 0 2 10 2 0 2 0 0 0 14 2 0 0 4 12 4 1 0 0 0 5 0 0 0 0 0 -2.4903 26 20 1 5 0 0 0 1 0 5 4 12 700.92 0.333 0.333 0 0.333 7 35 1274 0 0 0 4 0 0 0 1 0 5 6 4 2 4 0 0 0 0 0 0 0 0 17 8 0 1 17 1 4 4 0 0 0 0 1 16 4 0 5 0 0 0 21 5 0 0 4 9 5 4 0 0 0 3 2 0 0 0 0 -3.3854 27 18 4 5 0 0 0 4 0 4 5 14 681.597 0.666 0.666 0 0.666 2 32 1074 0 0 0 2 0 0 0 0 0 4 5 4 1 2 0 1 2 0 3 3 0 0 15 6 6 0 15 6 4 2 0 0 0 0 3 19 2 0 3 0 0 0 24 3 0 0 # -37.3478 34.8433 24.688 # PHE 36 Env_1j4h_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 11 429 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 0 0 0 3 0 0 0 0 3 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 2 143 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 0 0 0 1 0 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 -0.0035 1 1 0 0 0 0 0 0 0 0 0 0 33.51 0 0 0 0 1 1 143 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 0 0 0 1 0 0 0 0 1 0 0 2 1 0 1 0 0 0 2 0 0 0 0 0 -0.2447 6 3 1 2 0 0 0 1 0 2 0 6 137.655 0 0 0 0 -3 0 578 0 0 0 0 0 2 0 2 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 2 2 2 0 4 2 0 0 0 0 0 0 0 2 2 2 0 0 0 4 2 0 0 2 2 0 1 2 0 0 1 2 0 0 0 0 -3.1409 10 4 3 3 0 0 0 2 1 2 0 5 223.872 1.665 0.999 0.666 1.665 -6 23 982 0 2 0 0 0 2 3 1 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 7 2 1 0 3 4 3 0 0 3 0 0 0 3 2 2 0 0 3 5 2 0 0 0 3 1 2 0 0 0 0 0 0 0 0 0 -0.1014 6 4 2 0 0 0 0 2 0 0 0 2 149.383 0.333 0 0.333 0.333 1 10 572 0 1 0 0 0 0 2 1 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 5 0 1 0 1 3 2 0 0 1 0 0 0 2 2 1 0 0 1 4 1 0 0 # -32.2527 51.0287 38.372 # GLN 53 Env_1j4h_8 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 6 0 0 0 0 0 0 0 0 0 0 -0.5471 6 6 0 0 0 0 0 0 0 0 6 0 147.242 0 0 0 0 5 27 60 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 6 0 0 0 0 0 0 6 0 6 0 0 0 0 0 6 0 0 0 0 0 0 0 0 6 0 0 0 0 0 0 2 0 0 0 1 0 0 0 0 0 0 -0.647 3 2 1 0 0 0 0 0 1 0 3 0 67.679 0 0 0 0 0 9 30 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 3 0 0 0 0 0 0 3 0 3 0 0 0 0 0 3 0 0 0 0 0 0 0 0 3 0 0 0 0 0 6 5 0 0 0 0 0 0 0 0 0 0 -1.9545 11 11 0 0 0 0 0 0 0 0 5 0 327.723 0 0 0 0 11 26 238 0 0 0 0 0 0 0 0 0 0 0 0 0 3 0 0 0 1 3 4 0 0 7 0 4 0 8 3 0 0 0 0 2 0 0 9 0 0 0 0 0 2 9 0 0 0 2 10 14 1 0 0 0 1 0 0 0 0 0 -1.9624 28 26 1 1 0 0 0 1 0 1 15 4 768.288 0 0 0 0 21 68 461 0 0 0 0 0 0 0 0 0 0 1 0 0 12 0 0 0 4 4 7 0 0 20 0 8 0 24 4 0 0 0 0 5 0 0 20 0 3 0 0 0 5 23 0 0 0 7 14 4 5 0 0 0 4 0 1 0 0 0 -2.1669 35 25 5 5 0 0 1 5 0 4 4 22 943.612 0 0 0 0 2 35 652 0 0 0 2 0 0 1 2 2 5 2 0 0 7 0 0 0 0 4 10 0 0 24 3 6 2 24 6 2 3 0 0 6 0 0 23 0 2 4 0 0 6 25 4 0 0 # -41.8622 41.0927 31.8947 # TRP 59 Env_1j4h_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 24 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 0 1 0 0 0 0 1 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 72 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 0 0 0 0 0 3 0 0 0 0 3 0 0 0 2 0 0 2 0 0 0 2 0 0 0 0 0 -0.8473 6 2 2 2 0 0 0 2 0 2 0 6 118.282 0 0 0 0 -4 0 293 0 0 0 0 0 0 2 0 0 1 0 0 0 0 0 0 0 0 0 3 0 0 4 2 0 0 4 0 0 2 0 0 0 0 0 0 0 3 3 0 0 0 3 3 0 0 1 4 6 1 0 0 0 1 0 0 0 0 0 -1.0381 13 11 1 1 0 0 0 1 0 1 6 5 334.481 0 0 0 0 6 21 344 0 0 0 0 0 0 3 0 0 3 0 0 0 3 0 0 0 4 0 0 0 0 6 3 4 0 10 0 0 3 0 0 5 0 0 3 0 0 5 0 0 5 3 5 0 0 3 9 8 3 0 0 1 2 1 0 0 0 0 -2.609 27 20 4 3 0 0 0 3 1 2.5 9 9 695.53 0.666 0.666 0 0.666 6 54 1043 0 1 0 0 0 2 7 0 0 3 0 0 0 6 0 0 0 8 0 0 0 0 9 8 10 0 17 2 1 7 0 0 14 0 0 6 0 0 7 0 0 14 6 7 0 0 6 5 4 4 0 0 0 2 2 0 0 0 0 -1.913 23 15 4 4 0 0 0 4 0 3 4 14 569.573 0.999 0.999 0 0.999 -2 34 1309 0 3 0 0 0 2 4 2 0 1 0 0 3 5 0 0 0 2 0 1 0 0 10 7 4 2 12 4 3 4 0 0 10 0 0 8 0 0 5 0 0 10 8 5 0 0 # -37.49 43.337 34.444 # VAL 55 Env_1j4h_10 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 79 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 0 1 0 0 0 0 0 1 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 4 316 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 0 0 0 0 4 0 0 0 0 0 4 0 0 0 2 1 0 1 0 0 0 2 0 0 0 0 0 -0.4229 6 3 1 2 0 0 0 1 0 2 0 5 137.655 0 0 0 0 -2 3 421 0 0 0 0 0 0 0 2 0 4 0 0 0 0 0 0 0 0 0 0 0 0 4 0 0 2 4 2 0 0 0 0 0 0 1 0 5 0 0 0 0 0 6 0 0 0 0 3 0 1 0 0 0 1 0 0 0 0 0 -1.1114 5 3 1 1 0 0 0 1 0 1 0 4 126.161 0 0 0 0 -1 2 282 0 0 0 0 0 0 0 2 1 2 0 0 0 0 0 0 0 0 0 0 0 0 2 0 1 2 2 2 1 0 0 0 0 0 3 0 2 0 0 0 0 0 5 0 0 0 3 5 5 0 0 0 1 3 0 0 0 0 0 -0.5592 17 13 1 3 0 0 0 0.5 0.5 3 6 7 443.862 0 0 0 0.5 3 24 1043 0 0 0 0 0 0 0 0 6 4 0 0 0 5 2 0 0 0 0 0 0 0 11 0 6 0 11 0 6 0 0 0 0 0 10 5 2 0 0 0 0 0 17 0 0 0 1 6 4 3 0 0 1 0 0 0 0 0 0 -2.2645 15 11 4 0 0 0 0 3.5 0.5 0 5 6 397.202 0 0 0 0.5 2 28 949 0 0 0 0 0 0 0 0 3 1 2 0 0 5 4 0 0 0 0 0 0 0 12 0 3 0 12 0 3 0 0 0 0 0 4 5 2 0 4 0 0 0 11 4 0 0 # -31.89 32.371 25.882 # ILE 90 Env_1j4h_11 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 6 0 0 0 0 0 0 0 0 0 0 -0.6869 6 6 0 0 0 0 0 0 0 0 6 0 153.184 0 0 0 0 6 21 12 0 0 0 0 0 0 0 0 0 0 0 0 0 6 0 0 0 0 0 0 0 0 6 0 0 0 6 0 0 0 0 0 0 0 0 6 0 0 0 0 0 0 6 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 -0.0342 1 1 0 0 0 0 0 0 0 0 0 0 33.51 0 0 0 0 1 1 2 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 0 1 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 1 0 0 0 1 5 2 2 0 0 0 2 0 0 0 1 0 -2.5828 13 8 2 2 1 0 0.5 2 0 2 2 6 331.885 0 0 0 0 0 17 163 0 0 0 0 3 0 0 0 0 0 0 0 1 4 0 0 0 2 0 3 0 0 8 0 5 0 10 3 0 0 0 0 2 0 0 8 0 3 0 0 0 2 11 0 0 0 4 17 6 4 0 0 0 3 1 0 0 0 0 -3.7816 35 27 4 4 0 0 0 4 0 3.5 6 17 956.119 0.333 0.333 0 0.333 9 47 1137 0 0 0 0 3 0 5 0 0 0 5 3 3 3 0 0 0 6 0 7 0 0 18 8 9 0 24 3 3 5 0 0 12 0 0 14 5 2 2 0 0 12 21 2 0 0 10 13 6 6 0 0 0 7 1 0 0 0 0 -2.4852 43 29 6 8 0 0 0 6 0 7.5 6 26 1071.53 0.999 0.999 0 0.999 -2 44 1697 0 0 0 0 0 1 11 1 0 1 3 2 1 5 0 0 4 4 0 10 0 0 20 13 9 1 24 6 2 11 0 0 12 0 0 18 3 3 7 0 0 12 24 7 0 0 # -41.5462 43.6605 36.8385 # PHE 48 Env_1j4h_12 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 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 1 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 1 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 0 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 0 0 0 4 0 0 0 0 0 0 4 0 0 0 1 2 1 1 0 0 0 1 0 0 0 0 0 -1.3806 6 4 1 1 0 0 0 1 0 1 1 3 152.682 0 0 0 0 1 10 101 0 0 0 0 0 0 0 0 0 0 3 0 0 1 0 0 1 0 0 1 0 0 5 0 1 0 5 1 0 0 0 0 0 0 0 5 0 0 1 0 0 0 5 1 0 0 0 6 2 0 0 0 0 4 0 0 0 0 0 -2.7915 12 8 0 4 0 0 0 0 0 4 2 6 300.078 0 0 0 0 2 15 247 2 0 0 0 0 0 0 0 0 4 0 0 1 2 0 0 2 0 0 1 0 0 10 0 2 0 10 2 0 0 0 0 0 0 0 8 1 0 3 0 0 0 9 3 0 0 4 12 5 5 0 0 0 2 0 0 0 0 0 -2.4099 28 21 5 2 0 0 0 5 0 2 5 14 756.496 0 0 0 0 6 36 718 3 0 0 0 0 0 0 0 0 6 4 0 2 6 0 0 3 0 0 4 0 0 25 0 3 0 25 3 0 0 0 0 0 0 1 17 1 0 9 0 0 0 19 9 0 0 7 18 5 7 0 0 1 4 0 1 0 0 0 -3.553 43 30 8 5 0 0 1 7 1 4 6 25 1153.03 0 0 0 0 2 40 1386 4 0 0 0 0 0 1 2 0 4 5 0 2 4 3 4 6 2 5 1 0 0 23 1 17 2 25 17 0 1 0 5 2 0 3 15 6 0 12 0 0 7 24 12 0 0 # -37.628 41.233 23.248 # LEU 97 Env_1j4h_13 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 5 131 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 16 393 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 1 0 0 0 0 0 0 1 1 0 0 0 -1.0055 4 2 0 2 0 0 1 0 0 0.5 1 0 85.383 0.333 0.333 0 0.333 -2 18 274 0 1 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 2 0 0 0 0 2 2 0 0 2 1 1 0 2 2 0 0 0 0 0 0 0 0 4 0 0 0 0 1 1 4 0 0 0 0 0 1 0 0 0 0 -0.8233 7 6 0 1 0 0 0 0 0 0.5 4 0 174.31 0.666 0.666 0 0.666 4 23 417 0 1 0 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 4 0 0 0 0 3 4 0 0 4 1 2 0 4 3 0 0 0 0 0 0 0 0 7 0 0 0 0 0 2 1 0 0 0 0 0 0 0 0 0 0 0.012 3 3 0 0 0 0 0 0 0 0 1 0 87.599 0 0 0 0 3 5 236 0 1 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 2 1 0 0 1 1 1 0 1 2 0 0 0 0 0 0 0 0 3 0 0 0 0 2 5 0 3 0 0 0 2 1 0 0 0 0 -2.1306 13 7 3 3 0 0 0 3 0 2.5 0 10 314.106 0.333 0.333 0 0.333 -4 5 1097 0 4 0 3 0 0 1 2 0 0 0 0 0 0 0 0 0 0 3 0 0 0 0 8 3 2 0 5 4 4 0 6 6 0 0 0 0 0 1 0 0 12 0 1 0 0 # -34.673 54.591 28.635 # ARG 57 Env_1j4h_14 1 0 0 0 0 0 0 0 2 0 0 0 0 -0.8035 3 1 0 2 0 0 0 0 0 1 0 0 48.853 0.999 0.999 0 0.999 -2 8 147 0 0 0 3 0 0 0 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 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 -0.0303 1 1 0 0 0 0 0 0 0 0 0 0 33.51 0 0 0 0 1 1 49 0 0 0 1 0 0 0 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 0 0 0 1 0 0 0 0 0 0 1 0 0 0 1 1 1 1 2 0 0 0 0 1 0 0 0 -1.3165 7 3 3 1 0 0 1 2 1 0 0 3 167.751 0.999 0 0.999 0.999 -4 23 500 0 3 0 2 0 0 0 0 0 0 0 0 0 0 0 1 0 0 1 0 0 0 0 5 2 0 0 2 3 2 0 0 0 0 0 4 3 0 0 0 0 0 7 0 0 0 3 1 1 1 0 0 0 3 0 0 0 0 0 -0.9759 9 5 1 3 0 0 0 1 0 3 2 7 196.249 0 0 0 0 -3 9 264 0 0 0 2 0 0 0 0 0 0 0 0 0 2 0 3 0 0 2 0 0 0 2 2 5 0 2 5 0 2 0 0 0 0 0 9 0 0 0 0 0 0 9 0 0 0 0 4 4 1 1 0 0 0 0 0 0 0 0 -1.496 10 8 2 0 0 0 0 1 1 0 4 2 274.84 0 0 0 0 3 25 487 0 2 0 0 0 0 0 0 0 1 0 0 0 2 0 3 0 0 2 0 0 0 3 2 5 0 3 5 2 0 0 0 0 0 0 5 5 0 0 0 0 0 10 0 0 0 3 8 5 2 0 0 0 2 0 1 0 0 0 -1.1614 21 16 2 3 0 0 1 2 0 2 5 10 557.75 0 0 0 0 4 26 721 0 1 0 0 0 0 0 3 0 1 0 1 0 6 0 3 2 0 4 0 0 0 7 2 9 3 7 12 2 0 0 0 0 0 0 17 4 0 0 0 0 0 21 0 0 0 # -38.9033 31.868 30.3687 # ASP 37 Env_1j4h_15 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 5 124 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 0 0 0 0 1 0 0 0 0 0 1 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 16 372 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 0 0 0 0 3 0 0 0 0 0 3 0 0 0 1 2 0 0 0 0 0 1 1 0 0 0 0 -0.6846 5 3 0 2 0 0 0 0 0 1.5 0 2 126.161 0.333 0.333 0 0.333 -1 8 305 0 2 0 1 0 0 0 0 0 0 0 0 0 0 0 2 0 0 0 0 0 0 0 3 2 0 0 2 2 1 0 0 0 0 0 3 2 0 0 0 0 0 5 0 0 0 2 4 0 2 0 0 0 0 1 1 0 0 0 -0.6327 10 6 2 2 0 0 1 2 0 0.5 0 5 247.697 0.666 0.666 0 0.666 -3 13 260 0 1 0 2 0 0 0 0 0 0 0 0 0 0 0 6 0 0 1 0 0 0 0 3 7 0 0 7 1 2 0 0 0 0 0 5 5 0 0 0 0 0 10 0 0 0 2 4 2 2 0 0 0 2 0 1 0 0 0 -2.1607 13 8 2 3 0 0 1 2 0 2 3 7 309.59 0 0 0 0 -2 17 699 0 3 0 3 0 0 0 0 0 0 0 1 0 0 0 3 0 0 3 0 0 0 0 7 6 0 0 6 4 3 0 0 0 0 0 7 5 0 1 0 0 0 12 1 0 0 4 5 5 4 0 0 0 4 0 1 0 0 0 -2.8283 23 14 4 5 0 0 1 4 0 4 5 14 541.992 0 0 0 0 -1 18 1968 0 4 1 7 0 0 0 0 0 0 0 3 0 3 0 1 0 0 4 0 0 0 3 14 6 0 3 6 7 7 0 0 0 0 0 10 10 0 3 0 0 0 20 3 0 0 # -40.764 30.191 33.156 # ARG 42 Env_1j4h_16 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 27 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 0 0 0 1 0 0 0 0 1 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 4 135 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 0 0 0 5 0 0 0 0 5 0 0 1 1 0 1 0 0 0 2 0 0 0 0 0 -0.9524 5 2 1 2 0 0 0 1 0 2 0 4 104.145 0 0 0 0 -2 3 247 0 1 0 0 0 0 0 0 0 2 0 0 0 0 0 0 0 0 1 1 0 0 3 1 1 0 3 1 1 0 0 1 1 0 0 0 0 1 2 0 0 2 1 2 0 0 3 4 0 3 0 0 0 2 0 0 0 0 0 -0.9541 12 7 3 2 0 0 0 3 0 2 0 11 299.969 0 0 0 0 -4 1 458 5 2 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 1 1 2 0 0 7 2 2 1 8 2 2 0 0 1 4 0 0 0 5 2 0 0 0 5 7 0 0 0 2 10 7 2 0 0 0 1 0 1 0 0 0 -3.0921 23 19 2 2 0 0 1 2 0 1 8 7 619.877 0 0 0 0 9 45 1060 0 2 0 0 0 0 0 2 0 2 1 0 0 0 0 0 0 4 9 3 0 0 6 2 13 2 10 11 2 0 0 1 8 0 0 3 8 3 0 0 0 9 14 0 0 0 2 11 4 2 0 0 1 4 0 0 0 0 0 -2.2239 24 17 3 4 0 0 0 2 1 4 5 10 624.659 0 0 0 0 5 34 889 0 1 0 1 0 0 6 1 0 2 1 0 0 2 1 0 0 4 4 1 0 0 7 8 8 1 11 5 1 7 0 4 10 0 0 5 2 1 2 0 0 14 8 2 0 0 # -34.97 44.417 29.839 # ILE 56