# EXCLUDED_RESIDUES HETATM # PDBID_LIST 3eml # POINT_FILE ../DUDE/pocket_res_ptf_dude_crys/3eml_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_3eml_0 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 65 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 0 0 0 1 0 0 0 0 1 0 0 0 2 0 1 0 0 0 0 0 0 0 0 0 -0.1143 3 2 1 0 0 0 0 1 0 0 0 2 81.157 0 0 0 0 0 2 195 0 0 0 0 0 0 0 0 0 0 3 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 0 0 3 0 0 0 0 3 0 0 3 2 0 1 0 0 0 1 1 0 0 0 0 -0.6152 8 5 1 2 0 0 0 1 0 1.5 0 4 194.387 0.666 0.666 0 0.666 -1 11 520 0 0 0 2 1 0 0 0 0 0 4 0 0 1 0 0 0 0 0 0 0 0 5 2 1 0 5 1 0 2 0 0 3 0 0 0 0 0 5 0 0 3 0 5 0 0 2 4 0 2 0 0 0 2 1 0 0 0 0 -1.7272 11 6 2 3 0 0 0 2 0 2.5 0 9 266.459 0.333 0.333 0 0.333 -4 4 658 2 0 0 4 2 0 1 0 0 0 0 0 0 2 0 0 0 0 0 0 0 0 4 5 2 0 4 2 0 5 0 0 7 0 0 2 0 0 2 0 0 7 2 2 0 0 2 8 0 2 0 0 0 2 0 0 0 0 0 -1.4047 14 10 2 2 0 0 0 2 0 2 0 9 386.362 0 0 0 0 0 6 541 2 0 0 1 2 0 3 1 0 1 0 0 0 2 0 0 0 0 0 2 0 0 7 4 2 1 7 3 0 4 0 0 9 0 0 2 0 0 3 0 0 9 2 3 0 0 3 6 1 3 0 0 0 4 0 0 2 0 0 -2.1624 19 10 3 4 2 0 1 3 0 4 1 11 463.598 0 0 0 0 -3 16 696 1 0 0 1 2 0 2 3 0 3 0 0 0 3 0 0 1 0 0 3 0 0 10 3 3 3 10 6 0 3 0 0 11 0 0 1 1 0 6 0 0 11 2 6 0 0 # -6.805 -11.687 63.105 # LEU 167 Env_3eml_1 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 21 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 42 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 1 0 0 0 0 0 0 0 0 0 0 -0.0065 3 3 0 0 0 0 0 0 0 0 0 1 100.53 0 0 0 0 1.5 1 126 0 0 0 0 0 0 0 0 0 0 0 0 2 0 0 0 0 0 0 0 0 1 2 0 0 1 2 0 0 0 1 0 2 0 0 0 0 0 1 0 0 2 0 1 0 0 1 4 0 1 0 0 2 3 1 0 0 0 0 -3.1091 12 5 3 4 0 0 0 1 0 3.5 0 5 258.58 0.333 0.333 0 0.333 -3 11 477 2 0 0 0 0 0 1 0 0 3 0 0 3 0 1 0 0 0 0 0 0 2 9 1 0 2 9 0 0 1 2 0 7 0 0 0 0 0 5 0 0 7 0 5 0 0 4 8 2 3 0 0 0 3 0 1 0 0 0 -1.7108 21 14 3 4 0 0 1 3 0 3 0 11 550.259 0.333 0.333 0 0.333 -1 19 1185 3 0 1 0 0 0 1 0 0 1 9 0 0 0 2 0 1 0 1 0 0 2 15 1 3 2 15 3 0 1 2 0 14 0 0 0 0 0 7 0 0 14 0 7 0 0 5 18 2 7 0 0 0 3 1 0 0 0 0 -3.3815 36 25 7 4 0 0 0 7 0 3.5 2 21 958.419 0.333 0.333 0 0.333 -0.5 32 2222 3 0 3 0 0 0 2 0 0 6 10 0 0 0 2 0 1 2 3 0 0 4 21 2 9 4 23 7 0 2 4 0 30 0 0 0 0 0 6 0 0 30 0 6 0 0 # -13.379 -4.076 57.266 # MET 270 Env_3eml_2 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 28 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 56 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 0.0105 2 2 0 0 0 0 0 0 0 0 0 1 67.02 0 0 0 0 1 1 56 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 3 4 0 2 0 0 0 4 0 0 0 0 0 -1.8856 13 7 2 4 0 0 0 2 0 4 0 7 306.181 0 0 0 0 -3 12 159 0 0 6 0 0 0 0 0 0 0 0 0 5 0 1 0 0 0 0 1 0 0 7 0 6 0 7 6 0 0 0 0 11 0 0 0 0 1 1 0 0 11 1 1 0 0 5 11 4 5 0 0 0 1 2 1 1 0 0 -2.6838 30 20 5 4 1 0 1 5 0 2 4 14 777.502 0.999 0.999 0 0.999 2 41 1070 0 0 3 0 0 0 6 0 0 0 0 0 5 7 2 0 4 0 0 3 0 0 17 6 7 0 17 7 0 6 0 0 27 0 0 0 0 1 2 0 0 27 1 2 0 0 6 10 5 5 0 0 1 5 0 0 0 0 0 -1.9797 32 21 6 5 0 0 0 5 0 5 5 21 805.115 0 0 0 0 -1 28 1110 0 0 2 0 2 0 3 0 0 2 0 0 2 8 2 0 3 0 2 5 0 1 19 3 9 1 19 9 0 3 1 0 26 0 0 0 0 3 3 0 0 26 3 3 0 0 # -4.686 -1.938 57.736 # MET 174 Env_3eml_3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 27 156 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 1 2 0 0 0 1 0 0 0 0 0 0 -0.4353 4 3 1 0 0 0 0 0 1 0 3 0 101.189 0 0 0 0 0 10 80 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 3 0 0 0 0 0 0 4 0 3 1 0 0 0 0 4 0 0 0 0 0 0 0 0 4 0 0 0 0 1 5 0 0 0 0 0 1 0 2 0 0 0 -1.237 9 6 0 3 0 0 2 0 0 1 0 4 246.868 0 0 0 0 -1 8 96 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 4 3 2 0 0 0 0 0 0 9 0 2 7 0 0 0 0 9 0 0 0 0 0 0 0 0 9 0 0 0 0 2 4 4 3 0 0 1 2 0 0 0 0 0 -3.0162 16 10 4 2 0 0 0 3 0 2 3 8 393.669 0 0 0 0 0.5 19 242 0 0 0 0 2 0 0 0 1 0 2 0 0 3 0 1 1 3 0 1 0 2 6 0 8 2 9 4 1 0 2 0 16 0 0 0 0 0 0 0 0 16 0 0 0 0 5 9 7 2 0 0 2 7 0 0 0 0 0 -2.9264 32 21 4 7 0 0 0 2.5 0.5 7 6 14 787.398 0 0 0 0.5 -1 33 552 1 0 3 0 2 0 0 0 6 1 5 0 0 4 0 0 3 0 0 4 0 3 15 0 14 3 15 8 6 0 3 0 32 0 0 0 0 0 0 0 0 32 0 0 0 0 # -8.47217 -6.7655 45.3038 # TRP 246 Env_3eml_4 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 22 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 0 0 1 0 0 0 0 1 0 0 0 1 0 1 0 0 0 0 0 0 0 0 0 -0.3819 2 1 1 0 0 0 0 1 0 0 0 2 47.647 0 0 0 0 -1 0 44 2 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 2 0 0 0 0 0 0 0 0 0 0 0 2 0 0 0 0 2 0 0 2 1 0 1 0 0 0 1 0 0 0 0 0 0.5278 5 3 1 1 0 0 0 1 0 1 0 4 126.161 0 0 0 0 -2 1 250 2 0 0 0 0 0 0 0 0 0 0 0 0 0 2 0 0 0 0 0 0 1 4 0 0 1 4 0 0 0 1 0 0 0 0 0 0 0 5 0 0 0 0 5 0 0 1 8 2 0 0 0 1 2 0 0 1 0 0 -1.7158 15 11 1 2 1 0 0 0 0 2 0 5 432.256 0 0 0 0 5 16 903 0 0 0 0 0 0 0 0 0 2 3 0 1 0 4 0 0 0 0 0 0 5 10 0 0 5 10 0 0 0 5 0 6 0 0 0 0 0 9 0 0 6 0 9 0 0 1 11 1 3 0 0 1 2 0 1 0 0 0 -3.2056 20 13 4 3 0 0 1 3 0 2 0 9 532.323 0 0 0 0 1 16 1048 0 0 0 0 0 0 0 0 0 4 4 0 5 0 1 1 1 0 0 0 0 4 14 0 2 4 14 2 0 0 4 0 14 0 0 0 0 0 6 0 0 14 0 6 0 0 4 3 0 2 0 0 0 2 1 0 0 0 0 -0.1176 12 7 2 3 0 0 0 2 0 2.5 0 9 299.969 0.333 0.333 0 0.333 -4 6 934 0 0 0 0 0 0 1 0 0 1 5 0 1 1 0 1 2 0 0 0 0 0 8 1 3 0 8 3 0 1 0 0 11 0 0 0 0 0 1 0 0 11 0 1 0 0 # -15.61 -0.984 58.735 # ALA 265 Env_3eml_5 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 18 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 0 0 0 0 3 0 0 0 0 0 3 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 6 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 0 0 0 0 1 0 0 0 0 0 1 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0.6114 2 2 0 0 0 0 0 0 0 0 0 2 67.02 0 0 0 0 0 0 12 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 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 0 5 2 2 0 0 0 2 0 0 1 0 0 -3.5103 12 7 2 2 1 0 0 2 0 2 1 5 305.364 0 0 0 0 2.5 19 95 0 0 2 0 0 0 0 0 0 0 2 0 3 2 0 0 0 0 1 1 0 1 8 0 3 1 8 3 0 0 1 0 9 0 0 0 3 0 0 0 0 9 3 0 0 0 5 10 2 1 0 0 2 4 0 1 0 1 0 -2.1091 26 17 3 5 1 0 1.5 1 0 4 3 10 674.826 0 0 0 0 0 35 329 0 0 0 0 2 1 0 0 0 1 4 0 5 4 0 0 0 0 6 1 0 2 15 0 9 2 15 9 0 0 2 0 23 0 0 0 3 0 0 0 0 23 3 0 0 0 5 14 8 10 0 0 0 5 0 1 0 0 0 -6.4238 43 27 10 6 0 0 1 10 0 5 6 24 1068.66 0 0 0 0 -3 37 721 0 0 1 0 4 6 0 3 0 3 2 0 0 9 0 0 3 0 3 7 0 2 21 0 17 5 21 20 0 0 2 0 35 0 0 0 8 0 0 0 0 35 8 0 0 0 # -1.367 -3.68933 48.44 # ASN 181 Env_3eml_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 21 384 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 6 0 0 0 0 0 0 0 0 6 0 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 64 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 1 0 0 0 0 0 0 0 0 1 0 0 0 0 1 4 0 1 0 0 0 2 0 0 0 0 0 -1.3972 8 5 1 2 0 0 0 1 0 2 0 5 204.675 0 0 0 0 0 5 263 1 0 0 0 0 0 1 0 0 0 0 0 0 3 0 0 0 0 0 3 0 0 7 1 0 0 7 0 0 1 0 0 5 0 0 0 0 3 0 0 0 5 3 0 0 0 3 8 0 2 0 0 0 1 0 0 1 0 0 -0.1817 15 11 2 1 1 0 0 2 0 1 0 9 434.899 0 0 0 0 3 15 324 3 0 0 0 0 0 2 0 0 1 1 0 3 1 0 0 0 0 0 4 0 0 13 2 0 0 13 0 0 2 0 0 10 0 0 0 0 4 1 0 0 10 4 1 0 0 4 10 0 6 0 0 0 2 1 0 1 1 0 -4.2111 25 14 6 3 2 0 0.5 6 0 2.5 0 9 628.559 0.666 0.666 0 0.666 0 38 617 1 0 3 1 3 0 4 0 0 2 4 0 2 0 1 0 0 0 0 4 0 0 14 5 6 0 14 6 0 5 0 0 23 0 0 0 0 0 2 0 0 23 0 2 0 0 # -5.089 -8.5405 55.458 # PHE 168 Env_3eml_7 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 11 198 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 66 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 1 0 0 0 0 1 0 0 0 0 0 0 -0.1158 2 1 1 0 0 0 0 0 0 0 0 0 47.647 0 0 0 0 0 1 150 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 1 0 1 0 0 0 1 1 0 1 0 0 0 0 0 1 0 0 1 0 1 0 0 0 4 2 1 0 0 0 0 0 1 0 0 0 -1.2157 8 6 1 1 0 0 1 1 0 0 0 2 232.354 0 0 0 0 1 9 420 0 0 0 0 0 0 2 0 0 0 0 0 1 0 0 0 3 0 0 0 0 2 1 2 3 2 1 3 0 2 2 0 6 0 0 0 0 0 2 0 0 6 0 2 0 0 2 2 2 0 0 0 1 2 0 0 2 0 0 -0.863 11 6 1 2 2 0 0 0 0 2 1 3 284.238 0 0 0 0 2.5 16 535 0 0 1 0 0 0 2 0 0 0 0 0 4 2 0 0 0 0 0 0 0 2 6 2 1 2 6 1 0 2 2 0 9 0 0 0 0 0 2 0 0 9 0 2 0 0 2 9 2 6 0 0 0 4 1 0 0 0 0 -5.6653 24 13 6 5 0 0 0 6 0 4.5 2 13 558.006 0.333 0.333 0 0.333 -3.5 23 980 0 0 6 2 0 0 0 0 0 2 0 0 2 7 0 0 3 0 0 1 0 1 12 2 9 1 12 9 0 2 1 0 22 0 0 0 0 1 1 0 0 22 1 1 0 0 # -8.52733 -4.18033 60.2907 # GLU 169 Env_3eml_8 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 24 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 96 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 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 3 218 0 0 0 0 0 0 0 0 0 3 0 0 0 1 0 1 1 0 0 0 0 0 4 0 2 0 4 2 0 0 0 0 5 0 0 0 1 0 0 0 0 5 1 0 0 0 2 4 0 0 0 0 0 3 0 0 1 0 0 -0.9676 10 6 0 3 1 0 0.5 0 0 3 0 8 262.063 0 0 0 0 -3 4 293 3 0 0 0 2 0 0 0 0 1 0 0 0 1 0 1 2 0 0 0 0 0 5 0 5 0 5 5 0 0 0 0 7 0 0 0 1 0 2 0 0 7 1 2 0 0 4 11 3 7 0 0 0 2 0 1 0 0 0 -2.7567 28 18 7 3 0 0 1 7 0 2 3 16 721.317 0 0 0 0 -2 23 1067 5 0 0 0 2 0 0 1 0 7 0 0 0 6 0 3 4 0 0 0 0 0 18 0 9 1 18 10 0 0 0 0 18 0 0 0 4 0 6 0 0 18 4 6 0 0 6 13 5 5 0 0 0 4 0 3 1 0 0 -3.4977 37 24 5 7 1 0 3.5 5 0 4 5 21 946.122 0 0 0 0 -2 38 1800 2 0 0 0 5 0 0 2 0 5 4 0 0 9 2 1 6 0 1 0 0 0 22 0 13 2 22 15 0 0 0 0 20 0 0 0 6 0 11 0 0 20 6 11 0 0 # -7.388 -16.097 56.624 # ILE 66 Env_3eml_9 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 27 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 9 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 0 1 0 1 0 0 0 1 0 0 0 0 0 -0.9693 3 1 1 1 0 0 0 1 0 1 0 3 59.141 0 0 0 0 -2 0 48 0 0 2 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 1 0 2 0 1 2 0 0 0 0 3 0 0 0 0 0 0 0 0 3 0 0 0 0 4 6 0 0 0 0 0 2 0 0 1 0 0 0.7896 13 10 0 2 1 0 0 0 0 2 0 7 384.609 0 0 0 0 4 17 232 0 0 2 0 0 0 0 0 0 1 3 0 4 0 0 0 0 0 0 0 0 3 8 0 2 3 8 2 0 0 3 0 13 0 0 0 0 0 0 0 0 13 0 0 0 0 2 12 1 4 0 0 1 2 1 0 1 0 0 -4.6337 24 15 5 3 1 0 0 4 0 2.5 1 11 629.992 0.333 0.333 0 0.333 2.5 28 638 0 0 0 0 1 0 1 0 0 7 3 0 7 1 0 0 0 0 0 1 0 3 19 1 1 3 19 1 0 1 3 0 24 0 0 0 0 0 0 0 0 24 0 0 0 0 3 14 5 6 0 0 0 3 1 1 1 1 0 -4.3772 35 22 6 5 2 0 1.5 6 0 3.5 2 15 913.951 0.666 0.666 0 0.666 0.5 37 1276 0 0 0 0 4 0 3 0 0 4 1 0 5 6 2 0 4 0 0 3 0 3 21 3 8 3 21 8 0 3 3 0 35 0 0 0 0 0 0 0 0 35 0 0 0 0 # -7.37367 -2.14 54.195 # ASN 253 Env_3eml_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 30 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 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 4 120 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 4 0 0 0 0 0 0 0 0 4 0 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 89 0 0 0 0 0 0 0 0 0 0 1 0 0 1 0 0 0 0 0 2 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 0 4 0 1 0 0 0 3 0 0 0 0 0 -2.3223 8 4 1 3 0 0 0 1 0 3 0 7 182.659 0 0 0 0 -3 1 80 3 0 0 0 1 0 0 0 0 0 1 0 0 3 0 0 0 0 0 0 0 0 7 0 1 0 7 1 0 0 0 0 8 0 0 0 0 0 0 0 0 8 0 0 0 0 4 8 4 5 0 0 1 2 0 1 0 0 0 -2.5794 25 16 6 3 0 0 1 5.5 0.5 2 5 12 633.671 0 0 0 0.5 1 33 240 4 0 0 0 3 0 0 0 2 1 8 0 0 3 0 0 2 1 0 1 0 0 17 0 8 0 18 5 2 0 0 0 25 0 0 0 0 0 0 0 0 25 0 0 0 0 4 17 8 3 0 0 0 4 0 0 0 0 0 -3.3782 36 29 3 4 0 0 0 3 0 4 8 17 998.323 0 0 0 0 9 48 721 4 0 0 0 1 0 0 0 1 3 7 0 0 7 0 0 3 2 0 8 0 0 29 0 7 0 31 4 1 0 0 0 34 0 0 0 2 0 0 0 0 34 2 0 0 0 # -5.093 -12.343 47.768 # VAL 84 Env_3eml_11 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 30 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 0 2 0 1 0 0 0 0 0 0 0 0 0 -0.1143 3 2 1 0 0 0 0 1 0 0 0 2 81.157 0 0 0 0 0 2 90 0 0 0 0 0 0 0 0 0 0 3 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 2 2 0 1 0 0 0 2 0 0 0 0 0 -1.1886 7 4 1 2 0 0 0 1 0 2 0 5 171.165 0 0 0 0 -1 6 199 0 0 0 0 0 0 0 0 0 0 4 0 0 0 1 0 0 1 0 0 0 1 5 0 1 1 6 0 0 0 1 0 7 0 0 0 0 0 0 0 0 7 0 0 0 0 2 3 0 0 0 0 0 2 0 0 0 0 0 -0.2154 7 5 0 2 0 0 0 0 0 2 0 6 190.538 0 0 0 0 -1 1 132 3 0 0 0 0 0 0 0 0 0 0 0 0 0 2 0 0 1 0 0 0 1 5 0 1 1 6 0 0 0 1 0 7 0 0 0 0 0 0 0 0 7 0 0 0 0 3 14 6 6 0 0 2 3 0 1 0 0 0 -4.2134 35 23 8 4 0 0 1 6 0 3 3 13 905.917 0 0 0 0 0 36 936 1 0 3 0 1 0 0 0 0 8 4 0 0 0 4 2 0 5 0 0 0 7 17 0 11 7 22 6 0 0 7 0 35 0 0 0 0 0 0 0 0 35 0 0 0 0 4 13 4 4 0 0 0 3 0 0 0 0 0 -2.4998 28 21 4 3 0 0 0 4 0 3 4 15 754.9 0 0 0 0 5 34 869 1 0 3 0 1 0 0 0 0 10 3 0 2 0 0 2 0 5 0 0 0 1 16 0 11 1 21 6 0 0 1 0 28 0 0 0 0 0 0 0 0 28 0 0 0 0 # -10.934 -3.548 49.99 # LEU 249 Env_3eml_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 1 125 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 3 0 1 0 0 0 0 0 0 0 0 0 0.0709 5 4 1 0 0 0 0 1 0 0 0 3 148.177 0 0 0 0 1 5 625 0 0 0 0 0 0 0 0 0 0 5 0 0 0 0 0 0 0 0 0 0 0 5 0 0 0 5 0 0 0 0 0 5 0 0 0 0 0 0 0 0 5 0 0 0 0 1 1 0 1 0 0 0 1 0 0 0 0 0 -0.8059 4 2 1 1 0 0 0 1 0 1 0 3 92.651 0 0 0 0 -1 3 484 0 0 0 0 0 0 0 0 0 0 2 0 0 0 1 0 0 1 0 0 0 0 3 0 1 0 4 0 0 0 0 0 3 0 0 0 0 0 1 0 0 3 0 1 0 0 0 2 2 0 0 0 0 1 0 0 0 0 0 -1.0532 5 4 0 1 0 0 0 0 0 1 2 3 131.556 0 0 0 0 1 7 455 0 0 0 0 0 0 0 0 0 0 0 0 0 0 2 0 0 1 2 0 0 0 2 0 3 0 3 2 0 0 0 0 3 0 0 0 0 0 2 0 0 3 0 2 0 0 2 5 3 4 0 0 0 1 0 0 0 0 0 -1.4724 15 10 4 1 0 0 0 4 0 1 4 7 357.36 0 0 0 0 1 16 1275 1 0 0 0 0 0 0 0 0 0 1 0 3 0 2 0 0 4 4 0 0 0 7 0 8 0 11 4 0 0 0 0 12 0 0 0 0 0 3 0 0 12 0 3 0 0 3 6 3 0 0 0 2 1 0 1 1 0 0 -0.5246 17 12 2 2 1 0 1 0 1 1 4 6 465.099 0 0 0 0 3 29 1298 1 0 0 0 0 0 0 0 0 0 3 0 3 0 2 0 0 3 4 0 0 1 9 0 7 1 12 4 0 0 1 0 13 0 0 0 0 0 4 0 0 13 0 4 0 0 # -18.089 -8.438 60.811 # LEU 267 Env_3eml_13 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 8 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 16 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 1 0 0 0 0 0 0 0 0 0 0 -0.18 3 3 0 0 0 0 0 0 0 0 1 1 93.541 0 0 0 0 2 4 16 0 0 0 0 0 0 0 0 0 0 0 0 2 0 0 0 0 0 1 0 0 0 2 0 1 0 2 1 0 0 0 0 3 0 0 0 0 0 0 0 0 3 0 0 0 0 3 4 4 2 0 0 0 2 0 0 0 0 0 -2.4296 15 11 2 2 0 0 0 2 0 2 4 5 383.335 0 0 0 0 4 29 195 0 0 3 0 0 0 0 0 0 0 2 0 3 2 1 0 0 0 3 1 0 0 9 0 6 0 9 6 0 0 0 0 10 0 0 0 3 1 1 0 0 10 4 1 0 0 4 8 4 2 0 0 0 4 0 1 1 0 0 -2.7419 24 16 2 5 1 0 1 2 0 4 5 10 610.562 0 0 0 0 2 42 258 0 0 4 0 0 0 0 0 0 0 1 0 3 2 1 0 0 0 7 6 0 0 13 0 11 0 13 11 0 0 0 0 16 0 0 0 2 5 1 0 0 16 7 1 0 0 3 14 3 7 0 0 1 3 0 0 0 1 0 -4.3522 32 20 8 3 1 0 0.5 7 0 3 2 16 824.379 0 0 0 0 -2.5 26 554 1 0 6 0 3 0 0 0 0 0 2 0 5 4 5 0 0 0 1 3 0 2 20 0 10 2 20 10 0 0 2 2 24 0 0 0 2 1 3 0 0 26 3 3 0 0 # -2.208 -4.878 53.03 # MET 177 Env_3eml_14 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 40 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 4 160 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 2 1 0 1 0 0 0 1 0 0 0 0 0 0.145 5 3 1 1 0 0 0 1 0 1 0 4 126.161 0 0 0 0 -1 3 153 1 0 0 0 0 0 0 0 0 3 0 0 0 0 0 0 0 0 0 1 0 0 5 0 0 0 5 0 0 0 0 0 5 0 0 0 0 0 0 0 0 5 0 0 0 0 2 3 2 2 0 0 0 3 0 1 0 0 0 -2.0772 13 7 2 4 0 0 1 2 0 3 2 10 300.505 0 0 0 0 -5 9 493 3 0 0 0 0 0 0 0 1 0 0 0 2 0 0 1 0 0 5 1 0 0 6 0 7 0 6 6 1 0 0 0 13 0 0 0 0 0 0 0 0 13 0 0 0 0 4 10 5 3 0 0 2 1 2 1 0 0 0 -3.5662 28 19 5 4 0 0 1 4 1 2 8 8 698.051 0.999 0.999 0 1.999 1 58 1010 1 0 0 0 0 0 3 0 4 0 8 0 1 0 0 2 0 0 6 3 0 0 13 3 12 0 13 8 4 3 0 0 28 0 0 0 0 0 0 0 0 28 0 0 0 0 4 12 4 2 0 0 0 2 0 0 0 0 0 -1.6268 24 20 2 2 0 0 0 2 0 2 5 10 680.575 0 0 0 0 9 31 880 1 0 0 0 0 0 1 0 3 0 7 0 3 0 0 2 0 0 5 2 0 0 13 1 10 0 13 7 3 1 0 0 24 0 0 0 0 0 0 0 0 24 0 0 0 0 # -13.48 -9.55 51.535 # ILE 274 Env_3eml_15 0 0 0 0 0 0 0 0 0 1 0 0 0 -0.6761 1 0 0 1 0 0 1 0 0 0 0 0 17.157 0 0 0 0 -1 2 12 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 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 3 0 0 0 0 0 0 0 0 0 0 0 0.0828 3 3 0 0 0 0 0 0 0 0 0 1 100.53 0 0 0 0 1 3 36 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 3 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 0 2 1 0 0 0 1 0 0 0 0 0 -1.3569 4 2 1 1 0 0 0 1 0 1 2 2 78.673 0 0 0 0 0 11 94 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 2 0 1 0 0 1 0 3 0 3 1 0 0 0 0 4 0 0 0 0 0 0 0 0 4 0 0 0 0 4 5 3 3 0 0 0 3 0 0 0 0 0 -1.4801 18 12 3 3 0 0 0 3 0 3 3 13 452.104 0 0 0 0 -2 16 261 0 0 0 0 0 1 0 0 0 0 9 0 0 0 0 0 2 3 0 3 0 0 12 0 6 0 15 3 0 0 0 0 18 0 0 0 0 0 0 0 0 18 0 0 0 0 1 8 5 2 0 0 1 1 0 1 0 0 0 -2.1838 19 14 3 2 0 0 1 2 1 1 6 6 499.815 0 0 0 0 5 34 246 0 0 0 0 0 1 0 0 0 0 4 0 0 2 0 1 0 4 0 7 0 0 13 0 6 0 17 2 0 0 0 0 19 0 0 0 0 0 0 0 0 19 0 0 0 0 3 12 3 3 0 0 1 5 0 1 0 0 0 -5.0436 28 18 4 6 0 0 1 3 0 5 2 8 717.738 0 0 0 0 1.5 41 175 0 0 3 0 1 3 0 0 0 1 3 0 0 4 0 7 0 1 0 3 0 2 11 0 15 2 12 14 0 0 2 0 24 0 0 0 4 0 0 0 0 24 4 0 0 0 # -4.774 -8.497 44.57 # THR 88 Env_3eml_16 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 10 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 0 2 0 1 0 0 0 0 0 0 0 0 0 -0.1143 3 2 1 0 0 0 0 1 0 0 0 2 81.157 0 0 0 0 0 2 30 0 0 0 0 0 0 0 0 0 0 3 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 2 2 0 1 0 0 0 2 0 0 0 0 0 -1.181 7 4 1 2 0 0 0 1 0 2 0 5 171.165 0 0 0 0 -1 6 70 0 0 0 0 1 0 0 0 0 0 4 0 0 0 0 0 0 0 0 2 0 0 6 0 1 0 6 1 0 0 0 0 7 0 0 0 0 0 0 0 0 7 0 0 0 0 3 6 0 2 0 0 0 2 0 1 0 0 0 -1.8577 14 9 2 3 0 0 1 2 0 2 0 10 380.301 0 0 0 0 -4 12 145 0 0 1 0 3 0 0 3 0 0 0 0 0 1 0 0 0 0 1 5 0 0 6 0 5 3 6 8 0 0 0 0 13 0 0 0 1 0 0 0 0 13 1 0 0 0 4 5 1 7 0 0 0 5 0 1 0 1 0 -4.1252 24 10 7 6 1 0 1.5 7 0 5 2 14 502.356 0 0 0 0 -10 23 226 1 0 2 0 2 1 0 1 0 2 2 0 0 3 0 0 3 0 2 5 0 0 13 0 10 1 13 11 0 0 0 0 21 0 0 0 3 0 0 0 0 21 3 0 0 0 3 20 4 1 0 0 0 2 0 0 1 0 0 -2.544 31 27 1 2 1 0 0 1 0 2 4 10 940.46 0 0 0 0 16 50 444 1 0 1 0 0 4 0 0 0 3 6 0 2 3 2 1 4 0 2 2 0 0 19 0 12 0 19 12 0 0 0 2 24 0 0 0 5 0 0 0 0 26 5 0 0 0 # -0.879 -8.81 48.287 # LEU 85