# EXCLUDED_RESIDUES HETATM # PDBID_LIST 1qw6 # POINT_FILE ../DUDE/pocket_res_ptf_dude_crys/1qw6_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_1qw6_0 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 5 115 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 1 0 0 3 0 0 0 0 0 0 0 0 -2.2062 4 1 3 0 0 0 0 1 2 0 0 0 102.947 0.666 0 0.666 0.666 -3 19 460 0 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 4 0 0 0 0 4 0 0 0 4 0 0 0 0 0 0 0 0 4 0 0 0 0 0 2 0 0 0 0 0 0 1 0 0 0 0 -0.763 3 2 0 1 0 0 0 0 0 0.5 0 0 81.157 0.333 0.333 0 0.333 1 6 272 0 2 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 3 0 0 0 0 2 1 0 0 2 0 0 0 0 0 1 0 0 2 0 1 0 0 1 1 0 0 0 0 0 0 1 0 0 0 0 -0.2658 3 2 0 1 0 0 0 0 0 0.5 0 1 68.226 0.666 0.666 0 0.666 -1 5 199 0 1 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 3 0 0 0 0 1 2 0 0 1 0 0 0 0 0 2 0 0 1 0 2 0 0 1 3 0 1 0 0 0 1 0 0 0 0 1 -0.2217 7 4 1 2 0 0 0 1 0 1 0 3 171.165 0 0 0 0 0 4 515 0 3 0 1 0 0 0 0 0 0 0 0 0 0 2 0 0 0 0 0 0 1 2 4 0 1 2 0 3 1 1 0 3 0 0 0 0 2 2 0 0 3 2 2 0 0 1 9 0 3 1 0 0 3 1 0 0 0 2 -3.8964 20 11 4 5 0 0 0 3.5 0.5 3.5 0 11 495.563 0.666 0.333 0.333 0.666 -5.5 18 620 0 3 0 5 0 0 2 0 0 0 0 0 0 0 3 0 1 0 0 4 0 2 7 10 1 2 7 1 3 7 2 0 6 0 0 0 7 3 4 0 0 6 10 4 0 0 # 6.725 -0.584 49.483 # ARG 596 Env_1qw6_1 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 6 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 1 0 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 12 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 2 0 0 0 0 0 0 2 0 0 0 1 1 1 1 0 0 1 1 0 0 0 0 0 -1.0124 6 3 2 1 0 0 0 1 0 1 0 3 140.298 0 0 0 0 -1.5 1 18 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 3 0 0 0 0 0 2 1 0 3 2 1 3 0 0 2 0 3 0 0 3 0 0 0 0 0 3 3 0 0 0 2 9 2 2 0 0 1 5 0 0 0 0 0 -3.5026 21 13 3 5 0 0 0 2 0 5 0 13 535.511 0 0 0 0 -2 10 317 7 1 0 0 0 0 0 3 0 0 3 0 0 3 1 0 0 0 0 0 0 3 14 1 0 6 14 3 1 0 3 0 4 0 0 9 0 0 8 0 0 4 9 8 0 0 6 8 0 6 0 0 0 4 0 0 0 0 0 -1.8005 24 14 6 4 0 0 0 6 0 4 0 20 599.938 0 0 0 0 -6.5 5 276 5 1 0 0 0 0 0 1 0 2 2 0 0 2 2 4 1 0 0 1 0 3 14 1 5 4 14 6 1 0 3 0 8 0 0 6 0 1 9 0 0 8 7 9 0 0 6 20 4 6 0 0 0 3 0 2 0 0 1 -2.5734 42 31 6 5 0 0 2 6 0 3 4 21 1158.53 0 0 0 0 5.5 38 801 2 3 0 0 0 0 0 0 0 2 9 0 0 3 7 2 3 1 2 6 0 2 29 3 8 2 30 7 3 0 2 0 10 0 0 9 0 2 21 0 0 10 11 21 0 0 # -2.387 0.541 67.95 # SER 585 Env_1qw6_2 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 31 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 1 0 0 3 0 0 0 0 0 0 0 0 -2.2062 4 1 3 0 0 0 0 1 2 0 0 0 102.947 0.666 0 0.666 0.666 -3 19 124 0 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 4 0 0 0 0 4 0 0 0 0 0 0 0 4 0 0 0 0 0 4 0 0 0 0 1 0 0 0 0 0 0 3 0 0 0 0 -2.3652 4 1 0 3 0 0 0 0 0 1.5 0 0 75.921 0.999 0.999 0 0.999 -2 11 47 0 1 0 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 4 0 0 0 0 1 3 0 0 1 0 0 0 1 0 2 0 0 1 1 2 0 0 3 5 0 1 1 0 0 2 0 0 0 0 0 -0.854 12 8 2 2 0 0 0 1.5 0.5 2 0 6 303.772 0.999 0.666 0.333 0.999 -1 13 349 1 4 0 7 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 11 0 0 1 0 4 7 0 1 7 0 0 0 2 0 2 0 0 8 2 2 0 0 2 4 5 4 2 0 0 1 2 0 0 0 0 -3.7073 20 11 6 3 0 0 0 4.5 1.5 2 4 8 469.047 1.332 0.666 0.666 1.332 -2 42 762 2 7 0 4 0 0 0 0 0 0 0 0 0 0 0 1 0 2 4 0 0 0 2 11 7 0 4 5 7 4 0 2 4 0 0 2 6 0 6 0 0 6 8 6 0 0 7 11 3 5 1 0 0 6 1 1 0 0 0 -4.8214 35 21 6 8 0 0 1 5.5 0.5 6.5 4 18 848.022 0.999 0.666 0.333 0.999 -9 53 1198 2 4 4 8 0 1 1 0 0 0 0 0 0 0 6 1 0 2 6 0 0 0 8 13 14 0 10 12 4 9 0 12 4 0 1 3 6 0 9 0 0 16 10 9 0 0 # 10.379 -3.372 55.564 # ARG 603 Env_1qw6_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 -0.6869 6 6 0 0 0 0 0 0 0 0 6 0 153.184 0 0 0 0 6 21 300 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 50 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 5 3 3 0 0 0 3 0 0 0 0 5 -2.5887 21 15 3 3 0 0 0 3 0 3 3 10 558.576 0 0 0 0 2.5 17 584 0 0 0 0 1 0 0 0 0 0 0 0 0 7 0 1 0 0 0 7 0 5 14 0 2 5 14 2 0 0 5 0 0 0 0 15 0 0 6 0 0 0 15 6 0 0 3 8 3 1 0 0 0 2 0 0 1 1 8 -0.672 27 20 3 2 2 0 0.5 1 0 2 3 8 761.732 0 0 0 0 7 24 204 2 0 0 0 2 0 0 0 0 3 0 0 3 4 3 2 0 0 0 0 0 8 15 0 4 8 15 4 0 0 8 0 0 0 0 10 0 0 17 0 0 0 10 17 0 0 4 12 2 4 0 0 0 4 0 0 0 0 5 -2.0492 31 22 4 4 0 1 0 4 0 4 2 18 840.403 0 0 0 0 -1 15 398 3 0 1 0 2 0 0 1 0 2 0 0 5 1 3 5 0 3 0 0 0 5 14 0 11 6 17 9 0 0 5 0 3 0 0 9 0 1 18 0 0 3 10 18 0 0 # -0.4265 6.66983 63.5297 # PHE 584 Env_1qw6_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 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 1 0 0 0 0 0 0 0 0 1 0 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 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 3 0 0 0 0 0 0 0 0 3 0 0 0 0 0 0 3 0 0 0 1 2 0 1 0 0 0 2 0 0 0 0 0 -1.4909 6 3 1 2 0 0 0 1 0 2 0 4 137.655 0 0 0 0 -1 4 79 1 0 0 0 0 0 0 0 0 0 2 0 0 0 2 0 0 0 0 1 0 0 6 0 0 0 6 0 0 0 0 0 0 0 0 2 0 2 2 0 0 0 4 2 0 0 2 9 0 4 0 0 0 2 0 1 0 0 0 -2.1942 18 11 4 3 0 0 1 4 0 2 0 12 465.303 0 0 0 0 -3 13 214 0 0 0 0 0 0 0 0 0 1 8 0 0 2 2 4 0 0 0 1 0 0 14 0 4 0 14 4 0 0 0 0 0 0 0 7 0 5 6 0 0 0 12 6 0 0 5 18 2 3 0 0 1 2 0 0 0 0 0 -0.1536 31 25 4 2 0 0 0 3 0 2 0 13 917.286 0 0 0 0 7 26 494 0 0 0 0 0 5 0 1 0 4 4 0 0 2 5 3 0 0 0 4 0 3 19 0 8 4 19 9 0 0 3 0 4 0 5 6 0 5 11 0 0 4 16 11 0 0 3 11 6 2 0 0 1 8 0 1 0 0 0 -6.2845 32 20 3 9 0 0 1 2 0 8 5 16 767.902 0 0 0 0 0.5 32 503 2 0 0 0 0 3 0 2 0 3 2 0 0 4 3 5 0 0 2 4 0 2 18 0 10 4 18 12 0 0 2 0 5 0 3 10 0 6 8 0 0 5 19 8 0 0 # 2.147 0.37 66.698 # ALA 566 Env_1qw6_5 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 42 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 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 -0.0303 1 1 0 0 0 0 0 0 0 0 0 0 33.51 0 0 0 0 1 1 14 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 1 0 0 0 0 0 0 0 0 1 0 0 0 0 0 1 1 1 0 0 0 1 0 0 0 0 0 -1.3202 4 2 1 1 0 0 0 1 0 1 1 3 85.662 0 0 0 0 -1 5 112 0 0 0 2 0 0 1 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 3 1 0 1 0 0 3 0 0 3 0 0 1 0 0 0 0 0 3 1 0 0 0 4 5 3 2 2 0 1 2 0 0 0 0 0 -0.7449 19 12 5 2 0 0 0 3 2 2 3 10 489.968 0.999 0 0.999 0.999 -3 35 519 0 5 0 2 0 0 2 0 0 6 0 0 0 0 0 0 0 3 1 0 0 0 6 9 4 0 9 1 5 4 0 0 13 0 0 3 3 0 0 0 0 13 6 0 0 0 1 4 7 3 2 0 0 2 1 2 0 0 0 -6.954 22 12 5 5 0 0 2 3.5 1.5 2.5 8 6 487.24 0.666 0.333 0.333 0.666 -1 59 709 0 6 0 1 0 0 2 1 0 1 0 0 0 0 0 0 1 5 5 0 0 0 1 9 11 1 6 7 6 3 0 0 9 0 0 10 1 0 2 0 0 9 11 2 0 0 8 10 11 3 1 0 0 3 2 0 0 0 0 -1.554 38 29 4 5 0 0 0 3 1 4 11 10 961.399 1.665 1.332 0.333 1.665 7 86 735 0 6 0 2 1 3 3 3 0 1 0 0 0 0 0 0 1 1 14 3 0 0 4 11 20 3 5 22 6 5 0 0 16 0 3 7 8 0 4 0 0 16 18 4 0 0 # 6.33433 -4.982 56.0163 # ASP 597 Env_1qw6_6 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 11 252 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 84 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 0 0 0 0 0 0 1 0.056 2 2 0 0 0 0 0 0 0 0 0 0 67.02 0 0 0 0 1.5 1 84 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 3 2 0 0 0 1 0 0 0 0 6 -1.8764 16 13 2 1 0 0 0 2 0 1 3 6 448.489 0 0 0 0 4 10 248 0 0 0 0 0 0 2 0 0 0 0 0 4 0 0 0 0 0 4 0 0 6 4 2 4 6 4 4 0 2 6 0 2 0 0 8 0 0 6 0 0 2 8 6 0 0 6 5 1 2 0 0 0 3 0 1 0 0 8 -0.1046 26 17 3 6 0 0 1 2 0 3 2 10 666.788 0 0 0 0 -0.5 24 415 0 0 0 0 0 0 2 0 0 1 0 0 3 0 2 0 1 2 7 0 0 8 6 2 10 8 8 8 0 2 8 0 4 0 0 10 0 0 12 0 0 4 10 12 0 0 2 10 1 2 0 0 0 2 2 1 1 0 5 -3.5782 26 16 3 5 1 1 1 2 0 3 1 10 674.17 0.999 0.999 0 0.999 -1.5 26 199 0 0 0 3 0 0 0 4 0 3 0 0 1 0 2 0 5 1 1 1 0 5 7 3 7 9 8 10 0 3 5 0 15 0 0 2 1 0 8 0 0 15 3 8 0 0 # 0.002 -1.88 56.1913 # GLU 592 Env_1qw6_7 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 35 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 0 0 1 0 0 0 0 1 0 0 0 1 0 0 3 0 0 0 0 0 0 0 0 -2.2062 4 1 3 0 0 0 0 1 2 0 0 0 102.947 0.666 0 0.666 0.666 -3 19 140 0 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 4 0 0 0 0 4 0 0 0 0 0 0 0 0 0 4 0 0 0 0 4 0 0 0 1 0 0 0 0 0 1 0 1 0 0 0 -1.2087 3 1 0 2 0 0 1 0 0 1 0 0 62.161 0 0 0 0 -1 7 69 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 1 2 0 0 2 1 0 0 1 0 0 0 0 0 1 1 0 0 1 1 1 0 0 2 4 0 2 1 0 0 0 1 0 0 0 0 -2.1514 10 6 3 1 0 0 0 2.5 0.5 0.5 0 0 262.622 0.666 0.333 0.333 0.666 -1 26 264 1 2 2 1 0 3 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 1 3 6 0 1 6 2 1 0 3 0 0 3 0 1 1 2 0 0 3 5 2 0 0 3 6 1 2 2 0 0 2 1 1 0 0 0 -2.406 18 10 4 4 0 0 1 2.5 1.5 2.5 0 9 436.802 1.332 0.666 0.666 1.332 -6 32 466 3 4 3 2 0 3 0 0 0 0 0 0 0 0 0 2 0 0 1 0 0 0 3 6 9 0 3 9 4 2 0 6 0 0 3 1 3 2 3 0 0 6 9 3 0 0 7 4 3 5 0 0 0 5 1 1 0 0 0 -3.4861 26 14 5 7 0 0 1 5 0 5.5 4 15 592.052 0.666 0.666 0 0.666 -7 41 412 1 3 2 4 0 3 0 0 0 2 1 0 0 0 0 2 0 2 6 0 0 0 4 7 15 0 6 13 3 4 0 2 2 0 6 5 1 5 5 0 0 4 17 5 0 0 # 10.23 -0.475 59.831 # ARG 481 Env_1qw6_8 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 43 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 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 4 172 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 4 0 0 0 0 0 0 4 0 0 0 2 0 2 1 0 0 0 1 0 0 0 0 0 -0.0665 6 4 1 1 0 0 0 1 0 1 2 4 145.693 0 0 0 0 0 9 187 1 0 0 0 0 0 0 0 0 0 0 0 0 2 0 1 0 0 0 2 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 2 4 0 0 0 0 4 0 0 0 0 0 -2.6975 10 6 0 4 0 0 0 0 0 4 4 5 213.138 0 0 0 0 0 15 328 2 0 1 0 0 0 0 0 0 0 0 0 0 5 0 2 0 0 0 0 0 0 7 0 3 0 7 3 0 0 0 0 0 0 0 7 0 2 1 0 0 0 9 1 0 0 6 9 0 6 0 0 0 0 0 1 1 0 0 -0.2001 23 15 6 1 1 0 1 6 0 0 0 11 615.58 0 0 0 0 0 23 680 2 0 2 0 0 6 0 0 0 0 0 0 4 4 1 4 0 0 0 0 0 0 11 0 12 0 11 12 0 0 0 0 0 0 6 6 0 3 8 0 0 0 15 8 0 0 3 10 0 4 0 0 0 4 0 0 0 0 14 -2.9239 35 24 6 5 0 0 0 4 0 4 0 15 956.824 0 0 0 0 -1.5 14 423 0 0 4 0 1 2 0 0 0 0 1 0 2 0 7 4 0 0 0 0 0 14 10 0 11 14 10 11 0 0 14 0 0 0 2 2 0 6 25 0 0 0 10 25 0 0 # 2.905 4.634 62.44 # VAL 567 Env_1qw6_9 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 11 105 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 3 0 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 35 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 1 0 0 0 0 0 0 0 1 0 0 0 0 1 0 0 0 0 0 0 0 1 0 0 0 -0.5614 2 1 0 1 0 0 1 0 0 0 0 0 50.667 0 0 0 0 0 7 36 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 2 0 0 2 0 0 0 0 0 0 1 1 0 0 0 0 0 0 2 0 0 0 1 3 2 2 1 0 0 1 0 1 0 0 0 -1.5059 11 6 3 2 0 0 1 2 1 1 2 4 245.713 0.333 0 0.333 0.333 -3 29 216 1 4 0 0 0 2 0 0 0 1 0 0 0 0 0 0 0 0 3 0 0 0 2 4 5 0 2 5 4 0 0 0 0 0 2 4 0 1 4 0 0 0 7 4 0 0 6 9 3 4 2 0 0 4 0 1 0 0 0 -3.7641 29 18 6 5 0 0 1 5 1 4 4 17 737.821 0.666 0 0.666 0.666 -4 36 593 3 5 0 0 0 2 0 0 0 2 2 0 0 0 3 4 0 0 4 4 0 0 14 5 10 0 14 10 5 0 0 0 0 0 2 11 0 7 9 0 0 0 20 9 0 0 5 8 6 4 1 0 1 1 3 0 0 0 0 -4.0887 29 19 6 4 0 0 0 4.5 1.5 2.5 7 11 735.694 1.665 1.332 0.333 1.665 -1 53 423 1 2 1 3 0 0 1 0 0 2 3 0 0 0 4 3 0 3 4 2 0 0 12 6 11 0 15 8 2 4 0 1 4 0 0 10 1 6 7 0 0 5 17 7 0 0 # 5.87133 -0.585333 61.3483 # GLN 478 Env_1qw6_10 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 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 6 0 6 0 0 0 0 0 0 0 0 6 0 0 0 0 0 0 6 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 0 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 3 0 0 0 0 0 0 3 0 0 0 2 4 6 0 0 0 0 1 1 1 0 0 0 -2.5266 15 12 0 3 0 0 1 0 0 1.5 7 2 377.112 0.666 0.666 0 0.666 6 42 123 0 0 0 3 0 0 0 0 0 1 0 1 0 0 0 0 0 2 8 0 0 0 1 4 10 0 3 8 1 3 0 0 5 0 2 7 1 0 0 0 0 5 10 0 0 0 7 6 10 3 1 0 0 2 2 4 0 0 0 -5.2892 35 23 4 8 0 0 4 3.5 0.5 3 14 10 818.02 0.999 0.666 0.333 0.999 2 93 263 0 1 0 5 0 0 0 0 0 5 0 1 0 2 0 0 0 2 19 0 0 0 7 7 21 0 9 19 2 5 0 0 15 0 4 9 4 2 1 0 0 15 19 1 0 0 5 10 12 5 3 0 0 4 1 0 0 0 0 -5.3865 40 27 8 5 0 0 0 5.5 2.5 4.5 11 18 986.53 1.332 0.666 0.666 1.332 3 67 674 0 7 0 4 0 0 2 1 0 3 0 2 0 2 0 0 0 1 18 0 0 0 5 15 19 1 6 19 9 6 0 0 9 0 4 10 7 3 7 0 0 9 24 7 0 0 # 7.59317 -8.03967 59.1252 # TRP 561 Env_1qw6_11 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 20 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 0 136 0 0 0 0 0 0 0 3 0 0 0 0 0 0 0 1 0 1 0 0 0 0 0 0 2 3 1 4 0 0 0 0 0 0 0 1 0 0 4 0 0 0 1 4 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 -0.5679 1 0 0 1 0 0 0 0 0 1 0 1 11.494 0 0 0 0 -1 0 6 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 1 0 0 0 0 0 0 1 0 0 0 1 7 3 2 0 0 0 2 0 2 0 0 7 -2.5816 24 18 2 4 0 0 2 2 0 2 3 8 655.905 0 0 0 0 2.5 18 588 0 0 0 0 0 0 0 0 0 0 0 0 0 0 2 8 0 7 0 0 0 7 2 0 15 7 9 8 0 0 7 0 0 0 0 4 0 0 20 0 0 0 4 20 0 0 4 6 4 4 0 0 0 2 0 0 0 0 5 -0.9783 25 17 6 2 0 0 0 4 0 2 4 10 643.582 0 0 0 0 0.5 29 736 1 3 0 0 0 0 0 0 0 0 4 0 0 2 4 1 0 4 1 0 0 5 11 3 6 5 15 2 3 0 5 0 0 0 0 4 0 0 21 0 0 0 4 21 0 0 3 17 7 1 0 0 1 5 0 0 0 0 6 -4.2531 40 32 2 5 0 1 0 1 1 5 8 18 1130.22 0 0 0 0 9.5 49 645 10 1 0 0 0 0 0 1 0 0 9 0 0 4 1 1 0 6 1 0 0 6 24 1 8 7 30 3 1 0 6 0 7 0 0 12 0 1 20 0 0 7 13 20 0 0 # -4.668 -0.261 63.635 # GLY 586 Env_1qw6_12 0 2 0 1 0 0 0 0 0 0 0 0 0 -0.2429 3 2 1 0 0 0 0 1 0 0 0 1 81.157 0 0 0 0 1 3 51 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 0 0 0 0 0 3 0 0 0 0 3 0 0 1 2 0 0 0 0 0 0 0 0 0 0 0 0.5823 3 3 0 0 0 0 0 0 0 0 0 2 100.53 0 0 0 0 0 1 51 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 0 0 0 0 0 3 0 0 0 0 3 0 0 1 1 0 1 0 0 0 2 0 0 0 0 0 -1.0129 5 2 1 2 0 0 0 1 0 2 0 5 104.145 0 0 0 0 -3 0 23 1 0 0 0 0 0 0 0 0 0 3 0 0 0 1 0 0 0 0 0 0 0 5 0 0 0 5 0 0 0 0 0 0 0 0 1 0 0 4 0 0 0 1 4 0 0 4 4 5 3 0 0 0 2 0 1 0 0 0 -1.4271 19 13 3 3 0 0 1 3 0 2 6 10 464.368 0 0 0 0 1 30 282 1 0 0 0 0 0 0 4 0 0 3 0 0 0 0 0 0 3 8 0 0 0 4 0 11 4 7 12 0 0 0 0 0 0 0 9 0 2 8 0 0 0 11 8 0 0 3 11 2 2 0 0 0 3 0 0 0 0 0 -2.7866 21 16 2 3 0 0 0 2 0 3 3 10 572.007 0 0 0 0 3 29 298 2 0 0 0 0 1 0 3 0 0 3 0 0 0 0 3 0 2 6 1 0 0 6 0 12 3 8 13 0 0 0 0 0 0 1 12 0 1 7 0 0 0 14 7 0 0 5 7 4 4 0 0 1 5 2 2 0 0 0 -5.4515 30 16 5 9 0 0 2 4 1 6 5 11 677.935 0.999 0.999 0 0.999 -4 53 662 1 0 0 0 0 4 3 1 0 3 1 0 1 2 0 3 0 3 7 1 0 0 9 3 17 1 12 15 0 3 0 0 3 0 4 17 0 4 2 0 0 3 25 2 0 0 # 0.2978 -2.8276 62.7068 # PRO 565 Env_1qw6_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 17 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 1 0 0 0 0 0 0 1 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 34 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 2 0 0 0 0 0 0 2 0 0 0 0 3 0 0 0 0 0 0 0 0 0 0 0 -0.2064 3 3 0 0 0 0 0 0 0 0 0 1 100.53 0 0 0 0 2 2 36 1 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 1 2 0 0 1 2 0 0 0 1 0 2 0 0 1 0 0 0 0 0 2 1 0 0 0 3 4 0 1 0 0 0 2 0 1 0 0 1 -0.8272 12 8 1 3 0 0 1 1 0 2 0 8 322.362 0 0 0 0 -2 4 182 1 0 0 2 0 0 0 0 0 0 0 0 2 0 0 0 1 0 0 1 0 5 4 2 1 5 4 1 0 2 5 0 6 0 0 2 1 0 3 0 0 6 3 3 0 0 2 16 1 7 0 0 1 4 1 0 0 0 3 -5.7663 35 22 8 5 0 0 0 7 0 4.5 0 17 910.429 0.333 0.333 0 0.333 -1 23 655 3 0 0 2 0 0 2 1 0 1 0 0 2 0 4 0 7 0 0 7 0 6 17 4 7 7 17 8 0 4 6 0 17 0 0 7 2 0 9 0 0 17 9 9 0 0 10 9 2 7 0 0 0 2 1 1 0 0 4 1.0653 36 25 7 4 0 0 1 7 0 2.5 0 23 978.06 0.666 0.666 0 0.666 -6 13 1134 0 0 0 1 0 0 5 3 0 1 0 0 0 0 4 2 3 0 2 7 0 8 12 6 7 11 12 10 0 6 8 0 17 0 0 4 5 3 7 0 0 17 12 7 0 0 # -4.717 -3.115 51.823 # MET 589 Env_1qw6_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 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 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 -0.2414 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 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 -0.5129 4 2 1 1 0 0 0 1 0 1 0 3 92.651 0 0 0 0 -1 3 84 0 0 0 0 0 0 1 1 0 2 0 0 0 0 0 0 0 0 0 0 0 0 2 1 0 1 2 1 0 1 0 0 4 0 0 0 0 0 0 0 0 4 0 0 0 0 2 5 4 0 0 0 1 2 1 0 0 0 0 -1.5937 15 11 1 3 0 0 0 0 1 2.5 5 5 367.601 0.666 0.666 0 0.666 1 26 212 0 0 0 3 0 0 2 3 0 0 0 0 0 0 0 0 0 5 0 2 0 0 2 5 5 3 7 3 0 5 0 0 10 0 0 5 0 0 0 0 0 10 5 0 0 0 5 9 14 5 0 0 0 2 1 2 0 0 0 -5.1444 38 28 5 5 0 0 2 5 0 2.5 16 13 944.812 0.333 0.333 0 0.333 10 83 305 0 0 0 3 0 0 2 2 0 1 0 0 2 2 0 0 4 3 17 2 0 0 7 5 24 2 10 23 0 5 0 0 23 0 0 14 1 0 0 0 0 23 15 0 0 0 8 13 4 5 0 0 0 6 0 0 0 0 0 -1.448 36 25 5 6 0 0 0 5 0 6 4 22 923.581 0.333 0.333 0 0.333 -1 39 744 0 4 2 2 0 0 2 2 0 5 0 0 1 2 0 0 1 5 4 6 0 0 14 8 12 2 19 9 4 4 0 0 22 0 0 10 2 0 2 0 0 22 12 2 0 0 # 3.14 -8.692 56.016 # ILE 593 Env_1qw6_15 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 27 420 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 1 -0.647 4 3 1 0 0 0 0 0 1 0 3 0 101.189 0 0 0 0 0.5 9 210 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 3 0 0 0 1 0 0 3 1 3 0 0 0 1 0 0 0 0 0 0 0 4 0 0 0 0 4 0 0 1 4 0 2 0 0 0 1 0 1 0 0 1 -2.224 10 6 2 2 0 0 1 2 0 1 0 3 255.346 0 0 0 0 -0.5 14 435 0 0 0 0 0 3 0 0 0 0 1 0 0 0 0 1 1 3 0 0 0 1 1 0 8 1 4 5 0 0 1 3 0 0 0 0 0 0 7 0 0 3 0 7 0 0 4 7 0 2 0 0 0 3 0 1 0 0 3 -0.5358 20 14 2 4 0 0 1 2 0 3 0 11 549.053 0 0 0 0 -2.5 10 677 0 3 0 0 0 2 0 3 0 0 3 0 0 0 0 2 2 2 0 0 0 3 3 3 8 6 5 9 3 0 3 2 0 0 0 0 0 0 18 0 0 2 0 18 0 0 3 9 2 6 0 0 0 6 0 0 0 0 3 -5.2143 29 17 6 6 0 0 0 6 0 6 2 18 719.77 0 0 0 0 -3.5 23 894 0 2 2 0 0 1 0 2 0 4 3 0 0 0 0 2 3 2 2 3 0 3 10 2 12 5 12 12 2 0 3 1 2 0 0 10 1 2 13 0 0 3 13 13 0 0 # -9.1115 -2.87683 62.1363 # TRP 587