# EXCLUDED_RESIDUES HETATM # PDBID_LIST 3bwm # POINT_FILE ../DUDE/pocket_res_ptf_tian/3bwm_DNC_A_302.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 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 2 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 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 6 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 0 3 0 0 0 0 3 0 0 1 0 0 2 0 0 0 1 0 0 0 0 0 -0.8019 4 1 2 1 0 0 0 2 0 1 0 4 73.278 0 0 0 0 -3 0 7 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 3 0 0 3 0 0 1 3 1 0 0 0 0 1 0 0 0 0 0 3 0 0 1 0 3 0 0 2 4 4 0 0 0 0 2 2 0 0 0 0 -1.8526 14 10 0 4 0 0 0 0 0 3 4 5 345.475 0.999 0.999 0 0.999 1 26 57 0 0 3 3 0 0 0 2 0 0 0 1 0 2 0 1 0 0 2 0 0 0 2 4 6 2 2 8 1 3 0 0 6 0 0 2 0 2 4 0 0 6 4 4 0 0 5 12 3 3 0 1 0 2 4 1 0 0 0 -4.7531 31 20 4 7 0 0 1 3 1 4 4 10 777.112 2.998 1.998 1 2.998 1 58 207 0 0 2 5 0 0 3 3 0 0 1 7 1 2 0 3 0 0 2 2 0 0 6 15 7 3 6 10 7 8 0 0 17 0 0 3 3 2 6 0 0 17 8 6 0 0 5 14 4 4 1 0 0 4 0 2 0 0 0 -4.2904 34 23 5 6 0 0 2 4 1 4 4 14 901.902 0 0 0 0 1 56 341 0 4 4 3 0 0 3 2 0 0 2 1 1 2 0 2 0 0 8 2 0 0 7 11 14 2 7 16 5 6 0 0 20 0 0 4 4 1 5 0 0 20 9 5 0 0 # -8.67 -11.93 -10.03 # VAL Env_3bwm_1 1 0 0 0 0 0 0 1 0 0 0 0 0 0.0293 2 1 0 1 0 0 0 0 0 1 0 2 45.004 0 0 0 0 -1 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 2 0 0 2 0 0 0 0 0 0 0 0 0 0 2 0 0 0 0 2 0 0 0 1 0 1 0 0 0 0 0 0 0 0 0 -0.503 2 1 1 0 0 0 0 1 0 0 0 2 47.647 0 0 0 0 -1 0 2 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 2 0 0 0 0 0 0 0 0 2 0 0 0 0 0 0 2 0 0 0 1 4 0 3 0 0 0 2 0 0 0 0 0 -1.4041 10 5 3 2 0 0 0 3 0 2 0 7 232.949 0 0 0 0 -3 4 16 1 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 4 0 1 3 0 0 5 0 5 0 5 5 0 0 0 0 0 0 0 6 0 0 4 0 0 0 6 4 0 0 3 12 0 1 0 0 0 2 0 1 0 0 0 -1.6184 19 15 1 3 0 0 1 1 0 2 0 9 556.932 0 0 0 0 5 18 342 1 0 0 1 0 0 0 2 0 6 4 0 0 0 0 0 1 0 2 2 0 0 13 1 3 2 13 5 0 1 0 0 0 0 0 15 2 1 1 0 0 0 18 1 0 0 3 6 3 4 0 0 0 4 0 0 0 0 0 -3.4264 20 12 4 4 0 0 0 4 0 4 3 14 477.735 0 0 0 0 -2 18 323 2 1 0 1 0 0 0 2 0 2 4 0 2 2 0 0 0 0 3 1 0 0 13 2 3 2 13 5 1 1 0 0 0 0 0 15 2 1 2 0 0 0 18 2 0 0 5 15 6 5 2 0 1 5 0 0 0 0 0 -3.7687 39 26 8 5 0 0 0 6 2 5 6 20 1004.74 0.666 0 0.666 1.166 0 53 1831 1 7 0 2 0 0 1 0 2 0 7 7 4 2 0 0 0 0 2 4 0 0 18 17 4 0 18 2 16 3 0 0 2 0 0 17 4 2 14 0 0 2 23 14 0 0 # 0 0 0 # TYR Env_3bwm_2 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 21 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 7 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 14 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 0 -2.0905 18 12 2 3 1 0 1.5 2 0 2 6 7 443.242 0 0 0 0 2 33 302 3 0 2 0 1 0 0 0 0 1 0 0 2 0 0 0 0 0 8 1 0 0 7 0 11 0 7 11 0 0 0 0 5 0 0 0 5 0 8 0 0 5 5 8 0 0 3 13 4 4 0 0 0 2 1 0 0 1 0 -3.9676 28 20 4 3 1 0 0.5 4 0 2.5 6 11 730.634 0.333 0.333 0 0.333 3 44 222 2 0 0 1 5 0 0 1 0 8 0 0 2 0 0 0 0 0 9 0 0 0 12 1 14 1 12 15 0 1 0 0 17 0 0 0 7 0 4 0 0 17 7 4 0 0 8 15 6 3 0 0 0 3 1 2 0 0 0 -0.8162 38 29 3 6 0 0 2 3 0 3.5 6 19 1023.4 0.999 0.999 0 0.999 5 54 550 1 0 0 3 3 0 4 4 0 2 0 0 3 0 0 1 0 1 12 4 0 0 10 7 17 4 11 20 0 7 0 0 12 0 0 0 15 3 8 0 0 12 18 8 0 0 # -13.59 -13.03 -15.3733 # ASN Env_3bwm_3 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 3 9 0 5 0 0 0 2 0 0 0 0 0 -2.6019 19 12 5 2 0 0 0 5 0 2 0 14 493.154 0 0 0 0 -4 9 721 0 0 6 1 0 0 0 1 0 4 2 0 0 0 0 0 0 0 0 5 0 0 11 1 6 1 11 7 0 1 0 0 0 5 0 3 0 3 8 0 0 5 6 8 0 0 # 0.99 -17.42 -16.85 # CYS Env_3bwm_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 46 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 46 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 2 1 0 0 0 0 0 2 1 1 0 0 0 -1.3187 7 3 0 4 0 0 1 0 0 2.5 0 2 141.881 0.333 0.333 0 0.333 -3 17 122 0 0 2 2 0 0 0 0 1 0 0 1 0 0 0 0 0 0 1 0 0 0 0 3 4 0 0 3 2 2 0 1 1 0 0 0 0 1 4 0 0 2 1 4 0 0 3 5 2 3 0 0 0 2 0 0 0 0 0 -1.8309 15 10 3 2 0 0 0 3 0 2 3 7 370.951 0.333 0.333 0 0.333 0 22 256 0 0 2 5 0 0 0 0 3 0 0 2 0 0 0 0 0 0 3 0 0 0 0 7 8 0 0 5 5 5 0 2 3 0 0 0 0 4 6 0 0 5 4 6 0 0 5 9 3 4 0 0 1 3 2 0 0 0 0 -3.4298 27 17 5 5 0 0 0 4.5 0.5 4 4 15 669.213 0.999 0.999 0 1.499 -3 27 1228 0 0 4 8 0 0 0 0 2 0 2 2 0 0 2 0 0 5 2 0 0 0 4 10 13 0 9 6 4 8 0 2 2 2 0 2 0 8 11 0 0 6 10 11 0 0 4 8 6 4 0 0 0 5 2 0 1 0 0 -4.0433 30 18 4 7 1 0 0 4 0 6 6 15 706.291 0.666 0.666 0 0.666 0 35 1612 2 0 0 2 2 0 1 3 2 0 3 2 4 0 3 0 0 4 1 1 0 0 13 5 9 3 17 6 4 3 0 3 1 9 0 4 1 3 9 0 0 13 8 9 0 0 # -2.6 -8.51 -15.39 # LYS Env_3bwm_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 63 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 0 0 0 3 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 42 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 0 0 0 2 0 0 0 0 2 0 0 0 0 2 0 0 0 0 0 0 1 0 0 0 0 -0.919 3 2 0 1 0 0 0 0 0 0.5 0 0 81.157 0.333 0.333 0 0.333 1 5 22 0 0 0 1 0 0 0 0 1 0 1 0 0 0 0 0 0 0 0 0 0 0 1 1 1 0 1 0 1 1 0 0 1 0 0 1 0 1 0 0 0 1 2 0 0 0 5 9 2 4 0 0 0 4 0 1 0 0 0 -2.1636 25 16 4 5 0 0 1 4 0 4 2 15 628.932 0.333 0.333 0 0.333 -2 21 809 0 5 0 3 0 0 0 0 4 0 6 0 0 0 0 2 0 2 3 0 0 0 6 8 11 0 8 5 9 3 0 5 6 0 0 6 0 4 4 0 0 11 10 4 0 0 4 11 1 4 1 0 0 2 1 0 0 0 0 -2.43 24 16 5 3 0 0 0 4 1 2.5 2 14 624.55 0.333 0.333 0 0.333 -2 27 650 0 3 0 4 0 0 0 2 0 0 7 1 0 0 0 0 0 2 5 0 0 0 7 8 7 2 9 7 4 4 0 4 7 0 0 7 0 0 6 0 0 11 7 6 0 0 7 8 4 6 0 1 0 6 0 1 0 0 0 -3.5325 33 19 7 7 0 0 1 6 1 6 3 21 801.303 1.333 0 1.333 1.333 -4 40 1118 0 1 0 6 0 2 2 1 0 2 3 5 0 2 0 3 0 2 4 0 0 0 7 14 11 1 9 10 6 8 0 9 13 0 0 7 0 0 4 0 0 22 7 4 0 0 # -2.435 -1.48 -14.725 # HIS Env_3bwm_6 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 15 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 5 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 2 1 0 1 0 1 0 0 1 0 0 0 0 -0.2523 6 3 2 1 0 0 0 1 1 0.5 0 3 149.383 1.666 0.666 1 1.666 -1 10 56 0 0 2 3 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 4 2 0 0 2 1 3 0 1 0 0 0 0 0 3 2 0 0 1 3 2 0 0 3 5 0 1 0 1 0 3 4 1 0 0 0 -4.1798 18 8 2 8 0 0 1 1 1 5 0 7 410.983 2.665 1.665 1 2.665 -7 35 407 0 0 2 7 2 0 1 0 0 0 0 3 0 0 2 0 0 0 1 0 0 0 2 11 5 0 2 5 3 8 0 2 2 4 0 2 1 4 3 0 0 8 7 3 0 0 3 11 0 4 0 0 0 1 3 0 0 0 0 -3.2966 22 14 4 4 0 0 0 4 0 2.5 1 8 540.8 1.665 1.665 0 1.665 -2 37 568 0 0 0 7 2 0 2 2 0 0 1 3 0 0 3 0 0 0 1 1 0 0 5 12 3 2 5 5 3 9 0 1 3 7 0 3 2 1 5 0 0 11 6 5 0 0 8 16 2 6 0 0 0 7 0 0 0 1 0 -2.8206 40 26 6 7 1 0 0.5 6 0 7 2 27 1049.08 0 0 0 0 -3 25 892 2 0 1 4 2 0 2 5 2 2 5 1 4 0 1 0 0 0 2 7 0 0 21 7 7 5 21 10 3 6 0 1 2 11 0 7 2 2 15 0 0 14 11 15 0 0 # -2.55 -11.9067 -13.93 # ASN Env_3bwm_7 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 1 5 0 1 0 0 0 2 0 0 0 1 0 -1.4981 10 6 1 2 1 0 0.5 1 0 2 0 4 251.775 0 0 0 0 -3 12 244 0 0 3 0 3 0 0 2 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 2 6 2 0 8 2 0 0 2 0 5 0 0 0 0 3 0 0 7 0 3 0 0 3 4 0 1 0 1 0 2 1 0 0 0 0 -1.93 12 7 2 3 0 0 0 1 1 2.5 0 5 329.634 1.333 0.333 1 1.333 0 21 339 0 0 4 1 0 0 0 1 0 2 1 3 0 0 0 0 0 0 0 0 0 0 3 4 4 1 3 5 3 1 0 3 0 3 0 1 0 0 5 0 0 6 1 5 0 0 3 6 0 5 0 0 0 2 1 0 0 0 0 -2.4407 17 9 5 3 0 0 0 5 0 2.5 0 13 396.469 0.666 0.666 0 0.666 -6 10 315 2 0 1 4 0 0 0 0 0 2 2 2 0 0 0 0 0 0 0 4 0 0 10 6 1 0 10 1 2 4 0 2 0 6 0 2 0 2 5 0 0 8 4 5 0 0 # 0.892 -13.148 -17.6 # PRO Env_3bwm_8 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 8 0 1 0 0 0 2 2 0 0 0 0 -2.4727 15 10 1 4 0 0 0 1 0 3 0 8 400.499 0.666 0.666 0 0.666 0 14 759 0 1 0 2 0 0 4 0 0 0 0 0 0 2 0 0 0 0 0 6 0 0 8 7 0 0 8 0 1 6 0 0 0 0 0 4 4 7 0 0 0 0 15 0 0 0 6 9 1 7 0 1 1 3 2 0 0 1 0 -4.4967 31 16 9 5 1 0 0.5 7 2 4 2 16 755.926 2.332 1.332 1 2.332 -9 42 1708 0 5 1 4 4 0 6 0 0 0 0 2 0 2 0 0 0 2 1 4 0 0 6 17 8 0 8 6 7 10 0 0 2 4 0 10 5 7 3 0 0 6 22 3 0 0 3 9 5 3 1 0 0 4 0 0 0 0 0 -2.0556 25 17 4 4 0 0 0 3 1 4 5 13 631.807 0 0 0 0 -1 33 1479 0 2 0 2 2 0 2 1 0 0 0 2 0 2 2 2 0 3 4 1 0 0 5 8 11 1 8 9 4 4 0 0 2 4 0 8 4 4 3 0 0 6 16 3 0 0 # -3.11 -19.24 -14.28 # LEU Env_3bwm_9 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 0 0 3 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 0 0 1 0 0 0 0 1 0 0 0 2 2 0 2 0 1 0 1 0 0 0 0 0 -1.3447 8 4 3 1 0 0 0 2 1 1 0 3 204.679 1 0 1 1 -1 15 23 0 0 4 2 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 1 0 0 1 3 4 0 1 4 1 2 0 0 1 0 0 0 0 2 5 0 0 1 2 5 0 0 1 8 1 1 0 0 0 1 4 0 0 0 0 -3.7285 16 10 1 5 0 0 0 1 0 3 1 4 397.359 1.665 1.665 0 1.665 -1 34 91 0 0 2 6 0 0 1 0 0 0 2 2 0 1 0 0 0 0 0 2 0 0 5 9 2 0 5 2 2 7 0 0 2 0 0 4 1 2 7 0 0 2 7 7 0 0 6 8 2 2 0 1 0 5 2 1 0 0 0 -3.4572 27 16 3 8 0 0 1 2 1 6 2 13 661.005 2.332 1.332 1 2.332 -1 41 166 2 0 1 4 1 0 2 2 0 0 4 3 0 2 0 0 0 0 1 5 0 0 13 9 3 2 13 5 3 6 0 1 3 2 0 12 2 0 7 0 0 6 14 7 0 0 6 15 4 6 0 0 0 6 0 0 0 0 0 -4.8333 37 25 6 6 0 0 0 6 0 6 5 22 944.707 0 0 0 0 -1 37 545 3 0 3 4 1 0 3 3 0 0 4 5 1 4 1 0 0 0 2 3 0 0 16 12 6 3 16 9 5 7 0 2 7 4 0 12 3 0 9 0 0 13 15 9 0 0 # -4.12 -11.85 -10.9567 # ASP Env_3bwm_10 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 65 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 6 130 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 0 0.0342 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 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 2 1 4 1 0 0 0 1 0 0 0 0 0 -0.8224 9 7 1 1 0 0 0 1 0 1 5 4 219.314 0 0 0 0 2 23 661 0 0 0 0 0 0 0 0 0 0 0 0 4 0 0 0 0 2 3 0 0 0 4 0 5 0 6 3 0 0 0 0 0 0 0 0 3 0 6 0 0 0 3 6 0 0 1 1 7 1 0 0 0 0 0 1 0 0 0 -1.6263 11 9 1 1 0 0 1 1 0 0 7 2 278.019 0 0 0 0 6 36 618 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 4 5 0 0 0 1 0 10 0 5 6 0 0 0 0 0 0 0 0 5 0 6 0 0 0 5 6 0 0 1 5 4 0 0 2 0 3 4 0 0 0 0 -5.518 19 10 2 7 0 0 0 0 2 5 4 7 453.31 3.332 1.332 2 3.332 -2 45 832 3 0 1 3 0 0 2 0 2 0 0 3 0 0 0 0 0 4 1 0 0 0 3 8 8 0 7 2 5 5 0 2 2 0 0 0 2 2 11 0 0 4 4 11 0 0 # -7.54 -10.15 -20.01 # MET Env_3bwm_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 -0.5471 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 8 541 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 1 0 0 0 0 -1.8227 14 9 3 2 0 0 0 2 1 1.5 2 4 362.096 1.666 0.666 1 1.666 4 28 427 1 0 1 0 0 0 4 0 0 0 2 1 2 0 0 0 0 1 2 0 0 0 5 5 4 0 6 3 1 4 0 0 1 0 0 0 6 0 7 0 0 1 6 7 0 0 3 8 2 2 3 0 0 3 0 0 1 0 0 -3.1113 22 13 5 3 1 0 0 3 2 3 1 10 568.482 0.999 0 0.999 0.999 -3 40 1176 0 6 3 0 0 0 5 0 0 0 2 1 2 0 0 0 0 0 3 0 0 0 4 12 6 0 4 6 7 5 0 0 1 0 0 0 6 6 9 0 0 1 12 9 0 0 # -7.56 -16.6833 -19.51 # TRP Env_3bwm_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 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 25 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 3 0 1 0 4 1 0 0 0 0 -2.643 24 15 4 5 0 0 0 3 1 4.5 3 14 622.067 1.333 0.333 1 1.333 -3 36 634 1 0 3 1 0 0 3 0 0 0 3 2 4 0 0 0 0 3 0 4 0 0 12 6 6 0 15 3 2 4 0 0 2 0 0 0 3 1 18 0 0 2 4 18 0 0 3 9 4 3 0 0 1 3 2 0 0 0 0 -4.1658 25 16 4 5 0 0 0 3 1 4 5 9 602.146 0.999 0.999 0 0.999 1 43 615 1 0 4 3 0 0 0 2 0 0 4 1 1 1 0 0 0 3 3 2 0 0 9 4 10 2 12 9 1 3 0 0 3 0 0 2 3 2 15 0 0 3 7 15 0 0 6 12 6 3 0 0 0 2 2 1 1 0 0 -2.5052 33 24 3 5 1 0 1 3 0 3 7 9 836.049 1.332 1.332 0 1.332 6 59 949 2 0 5 6 1 0 0 1 0 0 1 2 2 1 1 0 0 3 7 1 0 0 8 8 16 1 11 14 2 6 0 0 3 2 0 3 7 1 17 0 0 5 11 17 0 0 # -6.52 -15.04 -14.5133 # GLU Env_3bwm_13 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 2 0 2 0 0 0 1 0 0 0 0 0 -0.8103 6 3 2 1 0 0 0 2 0 1 0 6 140.298 0 0 0 0 -3 0 79 0 0 1 2 2 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 2 3 1 0 4 0 2 0 0 0 2 0 3 0 0 1 0 0 2 3 1 0 0 6 9 0 5 0 1 0 4 1 0 0 0 0 -3.1899 26 15 6 5 0 0 0 5 1 4.5 0 16 664.319 1.333 0.333 1 1.333 -6 26 575 0 0 6 3 3 0 0 3 0 4 1 3 0 0 0 0 0 0 0 3 0 0 8 6 9 3 8 12 3 3 0 0 3 8 0 7 0 1 7 0 0 11 8 7 0 0 4 11 0 4 0 0 0 4 2 0 0 1 0 -3.466 26 15 4 6 1 0 0.5 4 0 5 0 14 647.038 0.999 0.999 0 0.999 -5 27 882 0 0 1 5 1 0 1 1 0 4 5 1 0 3 2 0 0 0 0 2 0 0 16 7 2 1 16 3 1 6 0 0 1 10 0 4 1 5 5 0 0 11 10 5 0 0 5 20 1 5 0 0 0 6 1 0 0 0 0 -4.4483 38 26 5 7 0 0 0 5 0 6.5 1 20 1005.13 0.666 0.666 0 0.666 2 36 1252 1 0 0 2 0 0 3 1 1 0 7 1 0 1 4 5 0 0 1 11 0 0 24 6 7 1 24 7 2 5 0 0 1 9 0 17 3 5 3 0 0 10 25 3 0 0 # -0.32 -15.3933 -11.8767 # ASP Env_3bwm_14 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 27 996 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 9 498 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 0 -0.5014 4 3 1 0 0 0 0 1 0 0 0 2 114.667 0 0 0 0 1 5 563 0 0 0 0 0 0 0 0 0 0 0 0 1 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 2 1 0 0 0 0 0 1 0 0 1 0 0 0.2948 5 3 0 1 1 0 0 0 0 1 0 4 138.545 0 0 0 0 0 3 294 0 0 0 0 0 0 0 0 3 0 0 0 1 0 0 0 0 1 0 0 0 0 1 0 4 0 2 0 3 0 0 0 0 0 0 0 0 3 2 0 0 0 3 2 0 0 1 4 1 2 0 1 0 2 2 0 0 0 0 -3.5356 13 6 3 4 0 0 0 2 1 3 1 5 301.175 1.666 0.666 1 1.666 -3 23 727 0 0 0 3 0 0 1 0 3 1 0 3 1 0 0 0 0 1 0 0 0 0 2 7 4 0 3 0 6 4 0 4 0 0 0 1 0 4 4 0 0 4 5 4 0 0 # -4.81333 -6.04333 -21.775 # TRP Env_3bwm_15 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 66 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 0 0 0 3 0 0 0 0 3 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 -0.0303 1 1 0 0 0 0 0 0 0 0 0 0 33.51 0 0 0 0 1 1 22 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 0 0 0 1 0 0 0 0 1 0 0 1 2 0 0 0 0 0 1 1 0 0 0 0 -0.839 5 3 0 2 0 0 0 0 0 1.5 0 3 126.161 0.333 0.333 0 0.333 -1 4 66 0 0 0 5 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 5 0 0 0 0 0 5 0 0 0 0 0 0 0 2 3 0 0 0 2 3 0 0 2 0 2 2 0 1 0 3 0 1 0 0 0 -2.4849 11 4 3 4 0 0 1 2 1 3 2 5 220.554 1.333 0.333 1 1.333 -3 25 160 0 0 1 2 0 0 0 0 1 0 2 1 1 2 0 0 0 0 1 0 0 0 5 3 3 0 5 2 2 2 0 1 1 0 0 4 0 2 3 0 0 2 6 3 0 0 6 8 4 4 0 0 0 4 1 1 0 0 0 -3.4521 28 18 4 6 0 0 1 4 0 4.5 5 15 687.53 0.333 0.333 0 0.333 -4 35 231 0 0 5 5 0 0 0 1 3 0 2 1 1 4 0 1 0 0 1 4 0 0 11 6 10 1 11 8 4 5 0 1 2 0 0 6 0 8 11 0 0 3 14 11 0 0 7 17 2 4 0 1 1 2 3 0 1 0 0 -3.0134 38 26 6 5 1 0 0 4.5 1.5 3.5 3 16 1027.54 2.665 1.665 1 3.165 3 59 482 3 0 4 0 0 0 6 3 2 0 4 3 4 3 0 1 0 0 3 2 0 0 16 9 10 3 16 11 5 6 0 1 5 0 0 12 4 2 14 0 0 6 18 14 0 0 # -6.03333 -8.60333 -12.9567 # ASP Env_3bwm_16 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 1 0 0 1 0 0 0 0 4 0 0 0 0 -3.3426 6 1 1 4 0 0 0 1 0 2 0 0 101.556 1.665 1.665 0 1.665 -5 18 14 0 0 1 4 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 5 1 0 0 1 0 5 0 0 0 0 0 1 1 3 1 0 0 0 5 1 0 0 4 8 0 2 0 0 0 3 1 0 0 0 0 -1.3848 18 12 2 4 0 0 0 2 0 3.5 0 7 440.22 0.999 0.999 0 0.999 0 24 200 0 0 4 3 0 0 3 0 0 0 3 2 0 1 0 0 0 0 0 2 0 0 6 8 4 0 6 4 2 6 0 0 2 0 0 3 3 1 9 0 0 2 7 9 0 0 6 14 0 3 0 0 0 4 2 0 0 0 0 -1.9347 29 20 3 6 0 0 0 3 0 5 0 18 786.861 0.666 0.666 0 0.666 0 22 285 0 0 3 6 1 0 3 3 0 0 7 1 0 1 0 0 0 0 0 4 0 0 12 10 4 3 12 7 1 9 0 0 1 1 0 10 3 2 12 0 0 2 15 12 0 0 7 12 1 10 0 0 0 7 1 1 0 0 0 -6.1231 39 20 10 9 0 0 1 10 0 7.5 1 28 903.402 0.666 0.666 0 0.666 -14 22 849 0 0 2 6 4 0 2 5 0 0 4 3 2 4 2 3 0 0 0 2 0 0 14 11 9 5 14 14 3 8 0 0 7 7 0 13 2 2 8 0 0 14 17 8 0 0 # -4.19 -14.75 -11.51 # LYS