# EXCLUDED_RESIDUES HETATM # PDBID_LIST 3bwm # POINT_FILE ../DUDE/pocket_res_ptf_dude_crys/3bwm_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_3bwm_0 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 0 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 0 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 0 2 0 0 0 1 0 0 0 0 1 -0.8245 6 3 2 1 0 0 0 2 0 1 0 6 140.298 0 0 0 0 -3 0 78 0 0 0 2 2 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 2 2 2 0 3 0 2 1 0 0 2 0 3 0 0 1 0 0 2 3 1 0 0 4 8 0 3 0 1 0 3 0 0 0 0 7 -1.5921 26 15 6 5 0 0 0 4 1 4 0 16 664.315 1 0 1 1 -6 17 569 0 0 0 2 3 0 0 3 0 4 1 3 0 0 0 0 0 0 0 3 0 7 8 5 3 10 8 6 3 2 7 0 3 8 0 7 0 1 7 0 0 11 8 7 0 0 2 10 0 4 0 0 0 2 1 0 0 1 6 -2.8635 26 15 4 6 1 0 0.5 4 0 3.5 0 14 657.326 0.333 0.333 0 0.333 -4.5 19 881 0 0 0 0 1 0 1 1 0 4 5 1 0 3 2 0 0 0 0 2 0 6 16 2 1 7 16 2 1 1 6 0 1 10 0 4 1 5 5 0 0 11 10 5 0 0 5 19 1 4 0 0 0 6 1 0 0 0 3 -4.0821 39 26 5 7 0 1 0 5 0 6.5 0 20 1032.69 2.666 0.666 2 2.666 0 31 1252 1 0 0 0 0 0 3 1 0 0 7 1 0 1 4 5 0 0 1 11 0 4 24 4 6 5 24 7 1 3 4 0 1 9 0 17 3 5 4 0 0 10 25 4 0 0 # -0.318333 -15.3977 -11.881 # ASP 204 Env_3bwm_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 0 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 0 0 3 0 0 0 0 3 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 0 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 0 0 1 0 0 0 0 1 0 0 0 1 0 1 0 0 0 0 0 0 0 0 0 -0.4014 2 1 1 0 0 0 0 1 0 0 0 2 47.647 0 0 0 0 -1 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 2 0 0 2 0 0 0 0 0 0 0 0 0 0 2 0 0 0 0 2 0 0 4 3 5 2 0 0 0 2 0 1 0 1 1 -2.0905 19 12 2 4 1 0 1.5 2 0 2 6 8 457.379 0 0 0 0 1 33 211 3 0 2 0 1 0 0 0 0 1 0 0 2 0 0 0 0 0 8 1 0 1 7 0 11 1 7 11 0 0 1 0 5 0 0 0 5 0 9 0 0 5 5 9 0 0 3 13 5 4 0 0 0 2 1 0 0 1 3 -4.1581 32 23 4 4 1 0 0.5 4 0 3.5 7 13 835.669 0.333 0.333 0 0.333 3.5 47 193 2 0 0 1 5 0 0 1 0 8 0 0 2 0 0 0 0 0 10 0 0 3 12 1 15 4 12 16 0 1 3 0 17 0 0 0 8 0 7 0 0 17 8 7 0 0 8 15 5 3 0 0 0 3 1 2 0 0 3 -0.6257 40 30 3 7 0 0 2 3 0 3.5 5 20 1075.39 0.999 0.999 0 0.999 3.5 51 392 1 0 0 3 3 0 4 4 0 2 0 0 3 0 0 1 0 1 11 4 0 3 10 7 16 7 11 19 0 7 3 0 12 0 0 0 14 3 11 0 0 12 17 11 0 0 # -13.594 -13.0333 -15.379 # ASN 40 Env_3bwm_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 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 27 750 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 0 0 0 0 0 0 6 0 0 0 0 6 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 9 375 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 0 0 0 0 0 0 3 0 0 0 0 3 0 0 0 3 0 1 0 0 0 0 0 0 0 0 10 -0.5014 14 9 3 2 0 0 0 1 0 0 0 2 366.989 0 0 0 0 0 5 583 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 3 0 0 0 10 1 0 3 10 4 0 0 0 10 0 0 0 0 0 0 0 14 0 0 0 0 14 0 0 2 1 0 0 0 0 0 1 0 0 1 0 4 0.2948 9 5 0 2 2 0 0 0 0 1 0 4 243.58 0 0 0 0 0 3 231 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 1 0 0 0 7 1 0 1 7 2 0 0 0 7 0 0 0 0 0 0 3 6 0 0 0 3 6 0 0 0 4 1 2 0 1 0 1 2 0 0 0 5 -3.4902 16 8 4 4 0 0 0 2 1 3 0 5 395.263 1.666 0.666 1 1.666 -3 20 535 0 0 0 1 0 0 1 0 0 1 0 3 1 0 0 0 0 1 0 0 0 8 2 5 1 8 3 0 3 2 8 4 0 0 0 1 0 4 7 0 0 4 5 7 0 0 # -4.81683 -6.046 -21.7795 # TRP 142 Env_3bwm_3 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 24 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 72 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 2 2 0 1 0 0 0 2 0 0 0 0 0 -1.2817 7 4 1 2 0 0 0 1 0 2 0 5 171.165 0 0 0 0 -1 6 256 0 0 0 0 0 0 1 0 0 0 4 0 0 1 0 0 0 0 0 1 0 0 6 1 0 0 6 0 0 1 0 0 0 0 0 1 1 1 4 0 0 0 3 4 0 0 2 9 0 1 0 0 0 2 2 0 0 0 0 -2.4337 16 11 1 4 0 0 0 1 0 3 0 8 434.009 0.666 0.666 0 0.666 1 16 876 0 2 0 2 0 0 4 0 0 0 0 0 0 2 0 0 0 0 0 6 0 0 8 8 0 0 8 0 2 6 0 0 0 0 0 4 4 8 0 0 0 0 16 0 0 0 5 8 1 6 0 1 1 3 2 0 0 1 1 -4.2139 29 14 9 5 1 0 0.5 6 2 4 2 15 678.614 2.332 1.332 1 2.332 -10 37 1553 0 4 0 4 3 0 6 0 0 0 0 2 0 2 0 0 0 2 1 4 0 1 6 16 6 1 8 4 6 10 1 0 2 3 0 10 5 6 3 0 0 5 21 3 0 0 4 9 5 3 1 0 0 4 0 0 0 0 0 -1.4584 26 18 4 4 0 0 0 3 1 4 5 14 665.317 0 0 0 0 -1 33 1516 0 2 0 2 3 0 2 1 0 0 0 2 0 2 2 2 0 3 4 1 0 0 5 8 12 1 8 10 4 4 0 0 2 5 0 8 4 4 3 0 0 7 16 3 0 0 # -3.116 -19.243 -14.282 # LEU 197 Env_3bwm_4 0 1 0 1 0 0 0 0 0 0 0 0 0 -0.2359 2 1 1 0 0 0 0 1 0 0 0 1 47.647 0 0 0 0 0 2 198 0 0 0 0 0 0 0 0 0 0 0 0 0 0 2 0 0 0 0 0 0 0 2 0 0 0 2 0 0 0 0 0 0 2 0 0 0 0 0 0 0 2 0 0 0 0 0 3 0 0 0 0 0 0 0 0 0 0 0 -0.0143 3 3 0 0 0 0 0 0 0 0 0 1 100.53 0 0 0 0 1 2 297 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 0 3 0 0 0 0 0 0 3 0 0 0 0 0 0 0 3 0 0 0 0 2 1 0 1 0 0 0 2 0 0 0 0 0 -0.3503 6 3 1 2 0 0 0 1 0 2 0 6 137.655 0 0 0 0 -3 0 322 0 0 0 0 3 0 0 1 0 0 0 0 0 0 2 0 0 0 0 0 0 0 2 0 3 1 2 4 0 0 0 0 0 6 0 0 0 0 0 0 0 6 0 0 0 0 0 4 0 1 0 0 0 1 0 0 0 1 3 -1.4391 10 6 1 2 1 0 0.5 1 0 2 0 4 264.706 0 0 0 0 -3 9 231 0 0 0 0 3 0 0 2 0 0 0 2 0 0 0 0 0 0 0 0 0 3 0 2 3 5 0 5 2 0 3 2 0 5 0 0 0 0 3 0 0 7 0 3 0 0 2 3 0 0 0 1 0 1 1 0 0 0 4 -1.0293 12 7 2 3 0 0 0 0 1 1.5 0 5 319.342 1.333 0.333 1 1.333 0 15 320 0 0 0 1 0 0 0 1 0 2 1 3 0 0 0 0 0 0 0 0 0 4 3 4 0 5 3 1 3 1 4 3 0 3 0 1 0 0 5 0 0 6 1 5 0 0 2 6 0 4 0 0 0 1 1 0 0 0 4 -1.9797 18 9 5 3 0 1 0 5 0 2.5 0 13 417.048 2.666 0.666 2 2.666 -8 10 304 2 0 0 2 0 0 0 0 0 2 2 2 0 0 0 0 0 0 0 4 0 4 10 4 0 4 10 0 2 2 4 2 0 6 0 2 0 2 6 0 0 8 4 6 0 0 # 0.8954 -13.153 -17.605 # PRO 173 Env_3bwm_5 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 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 1 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 1 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 0 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 0 0 4 0 0 0 0 4 0 0 2 0 0 1 0 0 0 1 0 0 0 0 1 0.2109 5 2 1 2 0 0 0 1 0 2 0 5 104.145 0 0 0 0 -3 0 18 0 0 1 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 2 0 1 2 0 1 2 2 2 0 0 1 0 1 0 0 0 0 0 4 0 0 1 0 4 0 0 0 4 4 0 0 0 0 2 0 0 0 0 5 -1.6463 15 10 0 5 0 0 0 0 0 2 4 5 364.614 0 0 0 0 0.5 18 20 0 0 2 0 0 0 0 2 0 0 0 1 0 2 0 1 0 0 2 0 0 5 2 1 5 7 2 7 1 0 5 0 6 0 0 2 0 2 5 0 0 6 4 5 0 0 4 11 3 3 0 1 0 2 2 1 0 0 10 -3.833 37 23 5 8 0 1 1 4 1 3 4 13 934.14 3.999 0.999 3 3.999 -2 49 152 0 0 2 0 0 0 4 3 0 0 1 7 1 2 0 3 0 0 2 2 0 10 6 11 7 13 6 10 7 4 10 0 17 0 0 3 4 2 11 0 0 17 9 11 0 0 5 12 4 2 1 0 0 4 0 2 0 0 5 -2.5465 35 24 4 7 0 0 2 2 1 4 4 14 912.185 0 0 0 0 1 49 295 0 4 2 2 0 0 2 2 0 0 2 1 1 2 0 2 0 0 8 2 0 5 7 9 12 7 7 14 5 4 5 0 20 0 0 4 3 1 7 0 0 20 8 7 0 0 # -8.678 -11.938 -10.035 # VAL 41 Env_3bwm_6 0 0 0 0 0 0 0 0 0 0 0 1 0 -0.3118 1 0 0 0 1 0 0.5 0 0 0 0 0 26.521 0 0 0 0 -1 2 37 0 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 1 0 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 0 0 0 0 -0.123 1 1 0 0 0 0 0 0 0 0 0 0 33.51 0 0 0 0 0 1 37 0 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 1 0 0 0 0 0 1 0 0 0 0 0 0 0 1 0 0 0 0 1 1 0 1 0 0 0 1 0 0 0 0 0 -0.2042 4 2 1 1 0 0 0 1 0 1 0 4 92.651 0 0 0 0 -2 0 210 0 0 0 0 3 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 1 0 3 0 1 3 0 0 0 0 0 4 0 0 0 0 0 0 0 4 0 0 0 0 2 6 0 1 0 0 0 1 0 0 0 0 0 -0.5941 10 8 1 1 0 0 0 1 0 1 0 5 293.711 0 0 0 0 2 11 611 0 0 0 0 1 0 0 0 0 1 3 0 0 0 3 0 0 0 0 2 0 0 9 0 1 0 9 1 0 0 0 0 0 5 0 1 0 1 3 0 0 5 2 3 0 0 2 7 0 1 0 0 0 2 2 0 0 0 0 -1.8759 14 9 1 4 0 0 0 1 0 3 0 5 354.058 0.999 0.999 0 0.999 1 16 615 0 0 0 5 0 0 0 1 0 1 1 0 0 0 3 0 0 0 0 3 0 0 8 5 0 1 8 1 0 5 0 0 0 5 0 6 0 2 1 0 0 5 8 1 0 0 1 7 0 4 0 0 0 1 0 0 0 0 6 -2.2353 19 12 5 2 0 0 0 4 0 2 0 14 495.793 0 0 0 0 -4 3 715 0 0 0 1 0 0 0 1 0 4 2 0 0 0 0 0 0 0 0 5 0 6 11 1 0 7 11 1 0 1 6 0 0 5 0 3 0 3 8 0 0 5 6 8 0 0 # 0.997 -17.427 -16.855 # CYS 172 Env_3bwm_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 27 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 3 0 0 0 0 0 3 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 9 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 1 0 0 0 0 0 1 0 0 0 0 1 0 1 0 0 0 1 0 0 0 0 0 -1.0282 3 1 1 1 0 0 0 1 0 1 0 2 59.141 0 0 0 0 -1 1 18 0 0 1 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 2 1 0 0 1 0 2 0 0 0 0 0 0 2 0 1 0 0 0 2 1 0 0 5 7 3 2 0 1 0 4 0 0 0 0 4 -0.9226 26 15 4 6 0 1 0 2 1 4 3 14 641.205 3 0 3 3 -6 30 503 1 0 2 0 0 0 3 0 0 0 3 2 4 0 0 0 0 3 0 4 0 4 12 5 5 4 15 2 2 3 4 0 2 0 0 0 3 1 20 0 0 2 4 20 0 0 1 9 4 3 0 0 1 2 1 0 0 0 4 -4.2835 25 16 4 5 0 0 0 3 1 2.5 5 9 625.365 0.333 0.333 0 0.333 2 33 568 1 0 2 1 0 0 0 2 0 0 4 1 1 1 0 0 0 3 3 2 0 4 9 2 8 6 12 7 1 1 4 0 3 0 0 2 3 2 15 0 0 3 7 15 0 0 5 9 6 3 0 0 0 1 0 1 1 0 9 -1.3919 35 25 4 5 1 0 1 4 0 2 7 10 901.633 0.333 0.333 0 0.333 5 49 844 2 0 2 2 1 0 0 1 0 0 1 2 2 1 1 0 0 3 7 1 0 9 8 4 13 10 11 11 2 2 9 0 3 2 0 3 7 1 19 0 0 5 11 19 0 0 # -6.52133 -15.0463 -14.517 # GLU 198 Env_3bwm_8 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 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 0 1 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 -0.062 2 2 0 0 0 0 0 0 0 0 0 0 67.02 0 0 0 0 0 7 2 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 2 0 0 0 0 0 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 2 0 0 0 4 -1.6201 6 1 1 4 0 0 0 0 0 1 0 0 98.909 0.666 0.666 0 0.666 -4.5 7 13 0 0 0 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 4 0 2 0 4 0 0 0 2 4 0 0 0 0 1 1 3 1 0 0 0 5 1 0 0 3 7 0 1 0 0 0 2 1 0 0 0 6 -1.1603 20 13 2 4 0 1 0 2 0 2.5 0 8 507.24 2.999 0.999 2 2.999 -2 18 192 0 0 0 2 0 0 3 0 0 0 3 2 0 1 0 0 0 0 0 3 0 6 7 7 0 6 7 0 2 5 6 0 2 0 0 3 3 1 11 0 0 2 7 11 0 0 5 11 0 3 0 0 0 4 1 0 0 0 5 -1.4165 29 19 3 7 0 0 0 3 0 4.5 0 17 762.202 0.333 0.333 0 0.333 -1.5 18 240 0 0 2 3 1 0 3 3 0 0 7 1 0 1 0 0 0 0 0 3 0 5 11 7 3 8 11 6 1 6 5 0 1 1 0 10 3 2 12 0 0 2 15 12 0 0 5 12 1 9 0 0 0 5 0 1 0 0 6 -5.0521 39 20 10 9 0 0 1 10 0 7 1 28 913.69 0 0 0 0 -13.5 17 747 0 0 0 2 4 0 2 5 0 0 4 3 2 4 2 3 0 0 0 2 0 6 14 7 7 11 14 12 3 4 6 0 7 7 0 13 2 2 8 0 0 14 17 8 0 0 # -4.197 -14.75 -11.514 # LYS 45 Env_3bwm_9 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 27 492 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 0 0 0 0 0 0 6 0 0 0 0 6 0 0 1 0 2 0 0 0 1 0 0 0 0 0 0 -0.0498 4 3 1 0 0 0 0 0 1 0 3 1 101.189 0 0 0 0 0 9 246 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 3 0 0 0 0 1 0 3 0 4 0 0 0 0 0 0 0 0 0 0 0 4 0 0 0 0 4 0 0 1 6 0 2 0 0 0 2 1 0 0 0 0 -2.163 12 7 2 3 0 0 0 2 0 2.5 0 8 299.969 0.333 0.333 0 0.333 -2 8 460 3 0 0 0 0 0 2 0 0 0 0 0 3 0 0 0 0 4 0 0 0 0 6 2 4 0 10 0 0 2 0 0 0 0 0 0 2 0 10 0 0 0 2 10 0 0 2 5 2 2 0 1 0 1 0 0 0 0 0 -1.004 13 9 3 1 0 0 0 2 1 1 2 4 347.959 1.333 0.333 1 1.333 5 24 357 1 0 1 0 0 0 3 0 0 0 2 1 2 0 0 0 0 1 2 0 0 0 5 4 4 0 6 3 1 3 0 0 1 0 0 0 5 0 7 0 0 1 5 7 0 0 3 8 2 2 3 0 0 3 1 0 1 0 0 -3.93 23 13 5 4 1 0 0 3 2 3.5 1 10 582.619 1.332 0.333 0.999 1.332 -4 44 1110 0 6 3 0 0 0 6 0 0 0 2 1 2 0 0 0 0 0 3 0 0 0 4 13 6 0 4 6 7 6 0 0 1 0 0 0 7 6 9 0 0 1 13 9 0 0 # -7.5665 -16.6875 -19.5148 # TRP 37 Env_3bwm_10 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 41 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 1 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 -0.0142 1 1 0 0 0 0 0 0 0 0 0 0 33.51 0 0 0 0 -1 4 41 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 1 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 1 0 0 0 0 0 1 0 1 0 0 4 -1.1736 7 3 0 4 0 0 1 0 0 1 0 2 152.169 0 0 0 0 -2.5 9 50 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 1 0 0 5 0 1 1 5 0 1 1 0 5 1 1 0 0 0 0 1 4 0 0 2 1 4 0 0 2 2 2 2 0 0 0 0 0 0 0 0 9 -0.3512 17 11 3 2 0 1 0 2 0 2 3 7 427.679 2 0 2 2 -2 15 110 0 0 0 0 0 0 0 0 0 0 0 2 0 0 0 0 0 0 3 0 0 12 0 2 3 12 0 3 2 0 12 2 3 0 0 0 0 4 8 0 0 5 4 8 0 0 2 6 3 1 0 0 1 2 0 0 0 0 15 -1.7659 30 18 5 6 1 0 0 4 0 3 3 15 748.383 0 0 0 0 -4 14 957 0 0 0 0 0 0 0 0 0 0 2 2 0 0 2 0 0 5 2 0 0 17 4 2 7 17 9 2 2 0 17 2 2 2 0 2 0 8 14 0 0 6 10 14 0 0 4 8 6 4 0 0 0 5 1 0 1 0 5 -3.2419 34 21 4 8 1 0 0 4 0 5.5 4 15 835.592 0.333 0.333 0 0.333 1.5 26 1355 2 0 0 1 2 0 1 3 0 0 3 2 4 0 3 0 0 4 1 1 0 7 13 4 7 10 17 6 2 2 7 3 1 9 0 4 1 3 13 0 0 13 8 13 0 0 # -2.6 -8.511 -15.392 # LYS 143 Env_3bwm_11 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 38 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 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 -0.0518 2 2 0 0 0 0 0 0 0 0 0 0 67.02 0 0 0 0 2 6 76 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 0 0 0 0 0 0 2 0 0 0 0 2 0 0 0 1 0 0 0 0 0 0 0 0 0 0 1 0.0342 2 2 0 0 0 0 0 0 0 0 0 0 67.02 0 0 0 0 1.5 1 55 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 1 1 0 0 1 1 0 0 0 1 0 0 0 0 0 0 0 2 0 0 0 0 2 0 0 2 1 4 1 0 0 0 1 0 0 0 0 2 -0.8224 11 8 1 1 1 0 0 1 0 1 5 4 279.345 0 0 0 0 2.5 23 457 0 0 0 0 0 0 0 0 0 0 0 0 4 0 0 0 0 2 3 0 0 2 4 0 5 2 6 3 0 0 2 0 0 0 0 0 3 0 8 0 0 0 3 8 0 0 1 1 7 1 0 0 0 0 0 1 0 0 7 -1.6263 18 14 1 3 0 0 1 1 0 0 7 2 468.557 0 0 0 0 6.5 36 551 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 4 5 0 0 7 1 0 10 7 5 6 0 0 7 0 0 0 0 0 5 0 13 0 0 0 5 13 0 0 1 5 4 0 0 2 0 2 2 0 0 0 7 -3.3333 23 11 2 9 0 1 0 0 2 4 4 7 525.101 4.666 0.666 4 4.666 -5.5 39 660 3 0 1 0 0 0 2 0 0 0 0 3 0 0 0 0 0 4 1 0 0 9 3 5 6 9 7 2 3 2 9 2 2 0 0 0 2 2 15 0 0 4 4 15 0 0 # -7.541 -10.158 -20.015 # MET 39