# EXCLUDED_RESIDUES HETATM # PDBID_LIST 2i0e # POINT_FILE ../DUDE/pocket_res_ptf_dude_crys/2i0e_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_2i0e_0 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 21 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 -0.137 5 2 2 1 0 0 0 2 0 1 0 5 106.788 0 0 0 0 -3 0 282 0 0 0 0 0 0 0 3 0 0 1 1 0 0 0 0 0 0 0 0 0 0 1 1 0 3 1 3 1 0 0 0 0 0 0 5 0 0 0 0 0 0 5 0 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 76 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 2 5 2 2 0 0 0 3 0 0 0 0 0 -2.2329 14 9 2 3 0 0 0 2 0 3 2 9 350.368 0 0 0 0 0 13 1158 0 0 0 0 0 0 0 0 0 0 3 4 0 2 0 0 0 0 0 5 0 0 10 4 0 0 10 0 4 0 0 0 0 0 0 12 2 0 0 0 0 0 14 0 0 0 2 9 2 1 0 0 0 1 0 0 0 0 0 0.3053 15 13 1 1 0 0 0 1 0 1 2 7 447.283 0 0 0 0 6 17 671 0 0 0 0 0 0 0 2 0 0 1 4 0 2 0 0 0 0 0 6 0 0 9 4 0 2 9 2 4 0 0 0 0 0 0 13 2 0 0 0 0 0 15 0 0 0 1 10 2 3 0 0 0 2 0 0 0 0 0 -3.5225 18 13 3 2 0 0 0 3 0 2 2 8 481.109 0 0 0 0 5 26 832 0 0 0 0 0 0 0 2 0 0 2 5 4 2 0 0 0 0 0 3 0 0 11 5 0 2 11 2 5 0 0 0 0 0 0 16 2 0 0 0 0 0 18 0 0 0 # 43.578 60.654 32.556 # GLY 11 Env_2i0e_1 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 76 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 0 3 0 1 0 0 0 0 0 0 0 0 0 -0.5263 4 3 1 0 0 0 0 1 0 0 0 2 114.667 0 0 0 0 1 5 304 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 2 1 0 1 0 0 0 2 0 0 0 0 0 -0.769 6 3 1 2 0 0 0 1 0 2 0 5 137.655 0 0 0 0 -2 3 335 0 0 0 0 0 0 0 1 0 0 3 0 0 0 0 0 0 0 0 2 0 0 5 0 0 1 5 1 0 0 0 0 0 0 0 6 0 0 0 0 0 0 6 0 0 0 2 6 0 2 0 0 0 2 0 0 0 0 0 -1.017 12 8 2 2 0 0 0 2 0 2 0 10 319.342 0 0 0 0 -2 3 337 0 0 0 0 0 0 0 1 0 0 1 0 4 0 0 0 0 0 0 6 0 0 11 0 0 1 11 1 0 0 0 0 0 0 0 12 0 0 0 0 0 0 12 0 0 0 2 8 0 2 0 0 0 2 0 0 1 0 0 -1.7824 15 10 2 2 1 0 0 2 0 2 0 7 412.883 0 0 0 0 4 16 609 1 0 0 0 0 0 0 2 0 0 2 0 5 0 0 0 0 0 0 5 0 0 13 0 0 2 13 2 0 0 0 0 0 0 0 15 0 0 0 0 0 0 15 0 0 0 3 9 3 3 0 0 0 4 0 0 1 0 0 -3.1221 23 15 3 4 1 0 0 3 0 4 3 12 596.591 0 0 0 0 4 28 728 2 0 0 0 0 0 0 0 0 0 5 3 6 1 0 0 0 0 3 3 0 0 17 3 3 0 17 3 3 0 0 0 0 0 0 20 1 0 2 0 0 0 21 2 0 0 # 41.104 61.007 36.384 # LEU 10 Env_2i0e_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 23 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 1 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 0 125 0 0 0 0 0 0 0 3 0 0 0 0 1 1 0 0 0 0 0 0 0 0 2 0 0 3 2 3 0 0 0 0 0 0 0 0 4 0 1 0 0 0 4 1 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 -1.3866 2 0 0 2 0 0 0 0 0 1.5 0 1 25.631 0.333 0.333 0 0.333 -2 4 19 0 0 0 0 0 0 1 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 1 1 0 0 1 0 0 1 0 0 1 0 0 0 0 0 1 0 0 1 0 1 0 0 3 6 0 2 0 0 0 1 2 0 0 0 0 -1.0506 14 9 2 3 0 0 0 2 0 2 0 7 356.701 0.999 0.999 0 0.999 -1 15 340 0 0 0 3 1 0 4 0 0 0 0 0 3 3 0 0 0 0 0 0 0 0 6 7 1 0 6 1 0 7 0 0 4 0 0 0 3 0 7 0 0 4 3 7 0 0 2 7 1 1 0 1 0 2 1 0 0 1 0 -1.9179 16 10 2 3 1 0 0.5 1 1 2.5 1 7 420.531 1.666 0.666 1 1.666 -1 19 415 0 0 0 4 6 0 2 0 0 0 0 1 2 1 0 0 0 0 0 0 0 0 3 7 6 0 3 6 1 6 0 0 5 0 0 1 2 0 8 0 0 5 3 8 0 0 4 10 3 3 0 0 0 6 1 0 1 1 0 -4.3031 29 17 3 7 2 0 0.5 3 0 6.5 3 16 714.326 0.666 0.666 0 0.666 -3 33 720 0 0 0 4 4 0 2 0 0 0 0 2 2 4 0 1 3 0 2 5 0 0 11 8 10 0 11 10 2 6 0 0 13 0 0 1 5 0 10 0 0 13 6 10 0 0 # 33.53 52.53 24.571 # GLY 148 Env_2i0e_3 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 96 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 32 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 1 0 0 0 0 0 1 0 0 0 0 0 -0.0073 3 2 0 1 0 0 0 0 0 1 0 3 78.514 0 0 0 0 -1 0 96 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 1 3 0 4 0 0 0 2 1 0 0 0 0 -3.6935 11 4 4 3 0 0 0 4 0 2.5 0 7 238.005 0.333 0.333 0 0.333 -6 10 295 2 0 2 2 0 0 0 2 0 0 0 0 0 3 0 0 0 0 0 0 0 0 5 2 2 2 5 4 0 2 0 2 0 0 0 0 4 0 5 0 0 2 4 5 0 0 7 2 3 2 0 1 0 1 2 2 0 0 0 -0.1998 20 12 3 5 0 0 2 2 1 2 3 8 472.284 2.332 1.332 1 2.332 -2 37 906 0 0 1 2 0 0 3 1 0 0 0 1 1 7 0 3 0 0 1 0 0 0 8 6 5 1 8 6 1 5 0 1 3 0 0 1 10 0 5 0 0 4 11 5 0 0 1 13 6 2 0 1 0 4 1 0 0 0 0 -5.0144 28 20 3 5 0 0 0 2 1 4.5 7 10 731.29 1.333 0.333 1 1.333 4 53 925 3 0 2 2 0 0 1 2 0 0 0 4 2 8 0 2 0 0 2 0 0 0 13 7 6 2 13 8 4 3 0 2 1 0 0 3 9 0 13 0 0 3 12 13 0 0 # 37.0367 52.845 28.053 # ASP 146 Env_2i0e_4 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 8 222 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 74 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 1 1 0 1 0 0 0 1 0 0 0 0 0 -0.3721 4 2 1 1 0 0 0 1 0 1 0 4 92.651 0 0 0 0 -2 0 296 0 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 4 0 0 0 0 0 0 0 0 0 0 4 0 0 0 0 4 0 0 1 3 1 2 0 0 0 0 0 1 0 0 0 -0.961 8 5 2 1 0 0 1 2 0 0 1 5 205.992 0 0 0 0 -2 7 290 0 0 0 0 0 0 0 2 0 0 0 0 0 0 0 4 0 0 1 1 0 0 1 0 5 2 1 7 0 0 0 0 0 0 0 0 4 2 2 0 0 0 6 2 0 0 5 2 2 1 0 0 0 4 0 1 0 0 0 -1.0822 15 9 1 5 0 0 1 1 0 4 3 11 351.951 0 0 0 0 -4 18 686 0 0 0 3 1 0 0 1 0 0 0 0 0 0 0 1 0 0 6 3 0 0 3 3 8 1 3 9 0 3 0 0 0 0 0 0 1 1 13 0 0 0 2 13 0 0 4 11 2 5 0 0 0 5 0 0 0 1 0 -3.7202 28 17 5 5 1 0 0.5 5 0 5 2 17 704.426 0 0 0 0 -1 19 1823 4 0 0 2 4 0 1 2 0 0 3 2 0 0 3 1 0 0 4 2 0 0 12 5 9 2 12 11 2 3 0 0 0 0 0 3 2 1 22 0 0 0 6 22 0 0 # 37.3093 56.039 47.374 # ASN 86 Env_2i0e_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 28 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 4 112 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 0 1 0 0 0 1 0 0 0 0 0 0.3477 4 2 1 1 0 0 0 1 0 1 0 4 92.651 0 0 0 0 -2 0 70 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 2 0 0 3 1 0 0 3 0 1 0 0 0 0 0 0 4 0 0 0 0 0 0 4 0 0 0 1 5 1 1 0 0 0 3 0 0 0 0 0 -2.7395 11 7 1 3 0 0 0 1 0 3 1 8 276.2 0 0 0 0 -1 8 299 0 0 0 0 0 0 0 2 0 0 2 3 1 1 0 0 0 0 0 2 0 0 6 3 0 2 6 2 3 0 0 0 0 0 0 10 1 0 0 0 0 0 11 0 0 0 6 12 2 7 0 0 0 5 0 0 0 0 0 -1.9638 32 20 7 5 0 0 0 7 0 5 2 22 812.651 0 0 0 0 -2 20 944 4 0 0 0 0 0 0 4 0 1 6 8 4 3 0 0 0 0 0 2 0 0 20 8 0 4 20 4 8 0 0 0 0 0 0 29 3 0 0 0 0 0 32 0 0 0 2 14 3 2 0 0 0 4 0 0 1 0 0 -3.2567 26 19 2 4 1 0 0 2 0 4 3 13 710.552 0 0 0 0 7 30 1022 1 0 0 0 0 0 0 2 0 2 2 4 3 6 0 0 0 0 0 6 0 0 20 4 0 2 20 2 4 0 0 0 0 0 0 21 5 0 0 0 0 0 26 0 0 0 # 38.428 60.884 33.143 # VAL 18 Env_2i0e_6 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 14 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 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 -0.062 2 2 0 0 0 0 0 0 0 0 0 0 67.02 0 0 0 0 0 7 28 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 0 0 0 2 0 0 0 0 0 0 2 0 0 0 2 1 0 0 0 0 0 1 2 0 0 0 0 -0.7841 6 3 0 3 0 0 0 0 0 2 0 2 127.367 0.999 0.999 0 0.999 -2 13 193 0 0 0 0 0 0 3 0 0 0 0 1 0 2 0 0 0 0 0 0 0 0 2 4 0 0 2 0 1 3 0 0 3 0 0 1 2 0 0 0 0 3 3 0 0 0 0 6 1 1 0 0 0 0 0 0 0 0 0 -1.4422 8 7 1 0 0 0 0 1 0 0 1 2 241.718 0 0 0 0 5 14 213 0 0 0 0 0 0 1 1 0 0 2 1 0 3 0 0 0 0 0 0 0 0 5 2 0 1 5 1 1 1 0 0 1 0 0 5 2 0 0 0 0 1 7 0 0 0 3 5 6 2 0 0 0 1 1 0 0 0 0 -0.5928 18 14 2 2 0 0 0 2 0 1.5 6 8 456.296 0.666 0.666 0 0.666 4 27 644 0 0 0 2 0 0 1 4 0 0 1 1 0 7 0 2 0 0 0 0 0 0 8 4 2 4 8 6 1 3 0 0 1 0 0 8 7 0 2 0 0 1 15 2 0 0 6 13 3 5 0 0 0 7 1 1 0 0 0 -4.9451 36 22 5 9 0 0 1 5 0 7.5 3 24 898.69 0.333 0.333 0 0.333 -5 26 727 0 0 0 4 1 0 1 3 0 4 4 6 0 6 0 1 5 0 0 1 0 0 15 11 7 3 15 10 6 5 0 0 8 0 0 18 4 0 6 0 0 8 22 6 0 0 # 34.661 58.006 26.634 # LYS 33 Env_2i0e_7 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 22 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 44 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 2 0 1 0 0 0 0 0 0 0 0 0 -0.4051 3 2 1 0 0 0 0 1 0 0 0 2 81.157 0 0 0 0 0 1 66 0 0 0 0 0 0 0 0 0 0 0 0 3 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 4 8 0 2 0 0 0 3 0 0 0 0 0 -0.8721 17 12 2 3 0 0 0 2 0 3 0 10 464.876 0 0 0 0 2 15 94 0 0 0 0 0 2 0 0 0 0 8 0 1 3 0 0 0 0 0 3 0 0 15 0 2 0 15 2 0 0 0 0 3 0 0 12 0 0 2 0 0 3 12 2 0 0 3 9 2 4 0 0 0 4 0 1 0 0 0 -3.5298 23 14 4 5 0 0 1 4 0 4 2 14 568.901 0 0 0 0 -2 18 238 2 0 0 0 0 2 2 0 0 0 3 3 1 3 0 0 5 0 0 1 0 1 10 5 7 1 10 7 3 2 1 0 1 0 0 15 0 0 7 0 0 1 15 7 0 0 6 17 6 4 0 1 0 4 1 0 0 1 0 -3.1005 40 29 5 5 1 0 0.5 4 1 4.5 6 20 1093.62 1.666 0.666 1 1.666 4.5 53 396 3 0 0 0 1 1 7 0 0 0 4 5 0 7 0 3 1 0 0 5 0 3 19 12 6 3 19 6 5 7 3 0 6 0 0 29 0 0 5 0 0 6 29 5 0 0 # 30.312 57.734 33.264 # MET 82 Env_2i0e_8 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 8 255 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 3 0 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 85 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 1 0 0 0 0 0 0 0 0 0 1 0 0 0 0 1 1 0 0 0 0 0 1 0 0 0 0 0 -0.0073 3 2 0 1 0 0 0 0 0 1 0 3 78.514 0 0 0 0 -1 0 255 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 3 0 0 0 0 0 0 0 0 0 3 0 0 0 0 0 1 0 2 0 0 0 0 0 0 1 0 0 -1.259 4 1 2 0 1 0 0 2 0 0 0 2 88.305 0 0 0 0 0 7 231 0 0 1 1 0 0 0 0 0 0 0 0 2 0 0 0 0 0 0 0 0 0 2 1 1 0 2 1 0 1 0 2 2 0 0 0 0 0 0 0 0 4 0 0 0 0 2 5 0 0 0 1 0 2 2 0 0 0 0 -1.7801 12 7 1 4 0 0 0 0 1 3 0 3 306.411 1.999 0.999 1 1.999 -1 27 420 0 0 2 3 0 0 0 0 0 0 2 4 1 0 0 0 0 0 0 0 0 0 3 7 2 0 3 2 4 3 0 4 1 0 3 0 0 0 4 0 0 5 3 4 0 0 3 6 0 4 0 0 0 2 0 0 0 0 0 -1.6503 15 9 4 2 0 0 0 4 0 2 0 8 378.487 0 0 0 0 -1 10 389 0 0 4 1 0 0 0 0 0 0 3 3 2 0 0 0 0 0 0 2 0 0 7 4 4 0 7 4 3 1 0 7 2 0 1 2 0 0 3 0 0 9 3 3 0 0 # 44.894 50.3977 32.9567 # ASP 132 Env_2i0e_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 -0.6869 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 0 0 0 6 0 0 0 0 6 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 -0.0366 2 2 0 0 0 0 0 0 0 0 0 1 67.02 0 0 0 0 1 1 4 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 0 2 0 0 0 0 0 0 0 0 0 0 0 2 0 0 0 0 2 0 0 2 3 2 2 0 0 0 3 0 0 0 0 0 -2.9153 12 7 2 3 0 0 0 2 0 3 2 7 283.348 0 0 0 0 0 14 162 2 0 0 3 0 0 0 0 0 1 1 0 0 1 0 0 1 0 2 1 0 0 6 3 3 0 6 3 0 3 0 0 2 0 0 1 0 0 9 0 0 2 1 9 0 0 4 18 1 4 0 0 0 3 0 1 0 1 0 -2.5494 32 23 4 4 1 0 1.5 4 0 3 2 15 879.576 0 0 0 0 4 40 200 2 0 0 1 1 0 0 1 0 4 12 0 0 2 0 0 3 0 3 3 0 0 23 1 7 1 23 8 0 1 0 0 10 0 5 4 1 0 12 0 0 10 10 12 0 0 4 17 2 2 0 1 0 3 1 1 0 0 0 -3.8419 31 23 3 5 0 0 1 2 1 3.5 2 11 871.381 1.666 0.666 1 1.666 7 50 362 1 0 0 3 1 0 2 0 0 4 7 3 1 0 0 0 3 0 4 2 0 0 15 8 8 0 15 8 3 5 0 0 8 0 3 4 0 0 16 0 0 8 7 16 0 0 # 30.5913 49.699 30.8817 # PHE 147 Env_2i0e_10 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 36 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 3 0 0 0 0 0 0 3 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0.0136 1 1 0 0 0 0 0 0 0 0 0 0 33.51 0 0 0 0 1 2 12 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 1 0 0 0 0 0 0 1 0 0 0 0 3 0 2 0 1 0 0 0 0 0 0 0 -1.7032 6 3 3 0 0 0 0 2 1 0 0 1 172.606 1 0 1 1 0 15 122 0 0 0 0 0 3 1 0 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 3 3 0 0 3 2 1 0 0 0 0 0 3 0 0 3 0 0 0 3 3 0 0 3 6 0 1 0 0 0 2 0 1 0 0 0 -0.933 13 9 1 3 0 0 1 1 0 2 0 8 342.941 0 0 0 0 -1 12 209 0 0 0 0 0 4 3 0 0 0 1 1 0 0 0 0 3 0 0 1 0 0 2 4 7 0 2 7 1 3 0 0 0 0 1 4 0 0 8 0 0 0 5 8 0 0 4 7 2 3 0 0 0 6 0 0 0 0 0 -2.3191 22 13 3 6 0 0 0 3 0 6 2 13 533.027 0 0 0 0 -2 22 790 0 0 0 0 0 2 1 0 0 0 2 2 1 2 2 0 3 0 3 4 0 0 11 3 8 0 11 8 2 1 0 0 0 0 1 4 1 0 16 0 0 0 6 16 0 0 3 12 4 4 0 0 0 1 1 0 0 0 0 -1.9703 25 19 4 2 0 0 0 4 0 1.5 4 13 672.04 0.666 0.666 0 0.666 3 27 1138 0 0 0 3 0 0 0 0 0 0 6 1 4 4 5 0 1 0 1 0 0 0 19 4 2 0 19 2 1 3 0 0 0 0 2 7 2 0 14 0 0 0 11 14 0 0 # 29.6453 54.0307 40.8733 # GLU 83 Env_2i0e_11 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 90 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 30 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 1 0 0 0 1 0 0 0 0 0 -0.987 3 1 1 1 0 0 0 1 0 1 0 2 59.141 0 0 0 0 -1 1 290 0 0 0 0 0 1 0 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 2 0 1 0 2 1 0 0 0 0 0 0 0 0 0 0 3 0 0 0 0 3 0 0 3 5 6 1 0 0 0 1 2 0 0 0 0 -1.5237 18 14 1 3 0 0 0 1 0 2 6 7 462.238 0.999 0.999 0 0.999 4 34 853 0 0 0 0 0 2 4 0 0 0 3 0 0 9 0 0 0 0 0 0 0 0 12 4 2 0 12 2 0 4 0 0 0 0 0 3 1 0 14 0 0 0 4 14 0 0 3 5 0 4 0 1 0 4 0 0 0 0 0 -3.2533 17 8 5 4 0 0 0 4 1 4 0 11 414.406 1 0 1 1 -3 16 787 0 0 1 0 0 2 3 0 0 0 5 3 0 2 0 0 1 0 0 0 0 0 7 6 4 0 7 4 3 3 0 0 0 0 1 5 1 0 10 0 0 0 7 10 0 0 5 14 0 3 0 1 0 5 0 0 0 0 0 -1.6936 28 19 4 5 0 0 0 3 1 5 0 17 757.15 1 0 1 1 -2 27 1620 0 0 2 0 0 0 3 0 0 0 4 7 0 0 8 0 2 0 0 0 0 2 12 10 4 2 12 4 7 3 2 0 0 0 1 8 4 0 15 0 0 0 13 15 0 0 # 25.2047 54.2373 40.9937 # GLN 67 Env_2i0e_12 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 0 0 0 0 6 0 0 0 0 0 6 0 0 0 0 1 0 1 0 0 0 0 0 0 0 0 0 -0.4498 2 1 1 0 0 0 0 1 0 0 0 1 47.647 0 0 0 0 0 1 128 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 0 2 0 0 0 0 0 0 0 0 0 2 0 0 0 0 0 2 0 0 0 5 4 0 4 0 0 0 4 0 0 0 0 0 -1.3516 17 9 4 4 0 0 0 4 0 4 0 16 404.114 0 0 0 0 -7 2 1269 0 0 0 0 0 0 0 7 0 0 0 4 0 3 0 2 0 0 0 1 0 0 4 4 2 7 4 9 4 0 0 0 0 0 0 12 5 0 0 0 0 0 17 0 0 0 1 6 0 2 0 0 0 2 1 1 0 0 0 -2.5631 13 7 2 4 0 0 1 2 0 2.5 0 9 317.126 0.333 0.333 0 0.333 -5 7 708 0 0 0 1 0 0 0 4 0 0 0 2 0 0 0 4 0 0 0 2 0 0 2 3 4 4 2 8 2 1 0 0 0 0 0 8 4 0 1 0 0 0 12 1 0 0 3 7 0 1 0 1 0 3 1 0 0 0 0 -1.7068 16 10 2 4 0 0 0 1 1 3.5 0 6 418.435 1.666 0.666 1 1.666 2 23 692 0 0 1 3 0 0 0 1 0 0 2 7 0 0 0 0 0 0 0 2 0 0 4 10 1 1 4 2 7 3 0 1 0 0 0 12 0 0 3 0 0 1 12 3 0 0 # 41.1072 57.2337 29.1435 # PHE 15 Env_2i0e_13 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 40 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 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 -0.0142 1 1 0 0 0 0 0 0 0 0 0 0 33.51 0 0 0 0 -1 4 40 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 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 -0.2915 2 2 0 0 0 0 0 0 0 0 0 0 67.02 0 0 0 0 2 5 76 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 1 0 0 0 0 0 0 1 1 0 0 1 1 0 0 0 0 0 0 0 0 0 2 0 0 0 0 2 0 0 2 3 0 1 0 0 0 1 2 1 0 0 0 -1.9042 10 5 1 4 0 0 1 1 0 2 0 0 223.042 0.999 0.999 0 0.999 -3 22 245 0 0 3 3 0 0 0 0 0 0 0 2 0 0 0 0 2 0 0 0 0 0 0 5 5 0 0 5 2 3 0 3 0 0 0 0 0 0 7 0 0 3 0 7 0 0 2 5 0 2 0 0 0 1 2 0 0 0 0 -1.9454 12 7 2 3 0 0 0 2 0 2 0 6 289.681 0.999 0.999 0 0.999 -2 11 591 0 0 2 8 0 0 0 0 0 0 0 0 0 0 0 0 2 0 0 0 0 0 0 8 4 0 0 4 0 8 0 7 0 0 0 0 0 0 5 0 0 7 0 5 0 0 6 5 4 4 0 0 0 5 1 1 0 0 0 -3.1283 26 15 4 7 0 0 1 4 0 5.5 4 18 607.075 0.666 0.666 0 0.666 -6 22 1009 0 0 1 7 0 0 0 3 0 0 4 4 0 2 0 1 2 0 2 0 0 0 6 11 6 3 6 9 4 7 0 7 0 0 0 0 3 3 13 0 0 7 6 13 0 0 # 42.749 49.074 27.649 # LYS 130 Env_2i0e_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 8 144 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 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 -0.0303 1 1 0 0 0 0 0 0 0 0 0 0 33.51 0 0 0 0 1 1 48 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 1 0 0 0 0 0 0 0 1 0 0 0 1 1 0 1 0 0 0 0 0 0 0 0 0 0.0583 3 2 1 0 0 0 0 1 0 0 0 3 81.157 0 0 0 0 -1 0 144 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 3 0 0 0 0 0 0 0 3 0 0 0 1 3 0 3 0 0 0 3 1 0 0 0 0 -3.2497 11 4 3 4 0 0 0 3 0 3.5 0 7 225.07 0.333 0.333 0 0.333 -4 10 715 0 0 0 3 0 0 0 1 0 0 1 0 3 0 0 0 0 0 2 1 0 0 5 3 2 1 5 3 0 3 0 2 6 0 1 1 0 0 1 0 0 8 2 1 0 0 6 10 2 1 0 0 0 2 1 0 1 0 0 0.6138 23 18 1 3 1 0 0 1 0 2.5 2 14 648.112 0.666 0.666 0 0.666 3 18 1334 0 0 0 6 0 0 0 2 0 0 5 0 6 0 0 0 0 0 3 1 0 0 12 6 3 2 12 5 0 6 0 8 10 0 0 3 0 0 2 0 0 18 3 2 0 0 3 6 3 6 0 0 0 3 0 0 1 0 0 -3.1723 22 12 6 3 1 0 0 6 0 3 2 15 533.967 0 0 0 0 -2.5 14 869 0 0 3 0 0 0 0 1 0 0 5 0 5 0 0 0 0 0 4 2 0 2 12 0 7 3 12 8 0 0 2 5 9 0 0 7 0 0 1 0 0 14 7 1 0 0 # 44.4003 50.4773 38.296 # ASP 89 Env_2i0e_15 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 51 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 17 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 2 0 0 0 1 0 0 0 0 0 0 0 -0.3435 3 2 1 0 0 0 0 0 1 0 0 0 100.53 1 0 1 1 1 10 45 0 0 0 0 0 0 1 0 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 3 0 0 0 0 2 1 0 0 1 0 0 2 0 0 0 0 0 1 2 0 0 0 2 4 1 2 0 0 0 1 1 0 0 0 0 -1.6192 11 7 2 2 0 0 0 2 0 1.5 1 7 281.486 0.333 0.333 0 0.333 -1 14 136 0 0 0 1 0 0 2 2 0 0 1 1 0 4 0 0 0 0 0 0 0 0 5 4 0 2 5 2 1 3 0 0 3 0 0 2 2 0 4 0 0 3 4 4 0 0 3 9 5 2 0 0 0 5 0 0 0 0 0 -2.8565 24 17 2 5 0 0 0 2 0 5 5 13 601.596 0.333 0.333 0 0.333 3 29 421 0 0 0 3 1 0 2 2 0 0 3 2 0 9 0 0 2 0 0 0 0 0 12 7 3 2 12 5 2 5 0 0 8 0 0 7 4 0 5 0 0 8 11 5 0 0 4 11 2 5 0 0 0 3 1 1 1 0 0 -3.7771 28 17 5 5 1 0 1 5 0 3.5 2 13 712.732 0.333 0.333 0 0.333 2 27 752 0 0 0 4 1 0 0 1 0 0 3 3 2 6 0 1 5 0 0 2 0 0 13 7 7 1 13 8 3 4 0 0 11 0 0 6 5 0 6 0 0 11 11 6 0 0 # 32.441 55.8867 26.494 # GLU 52 Env_2i0e_16 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 42 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 3 0 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 14 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 1 0 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 -0.4459 4 3 1 0 0 0 0 1 0 0 0 2 114.667 0 0 0 0 -1 5 100 0 0 2 1 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 2 2 0 0 2 1 1 0 2 0 0 0 0 0 0 2 0 0 2 0 2 0 0 5 3 0 0 0 1 0 5 3 1 0 0 0 -2.8905 18 8 1 9 0 0 1 0 1 6.5 0 9 392.766 2.665 1.665 1 2.665 -6 29 558 2 0 2 10 0 0 0 0 0 0 0 3 0 0 0 0 0 0 1 0 0 0 2 13 3 0 2 3 3 10 0 4 0 0 0 0 0 0 14 0 0 4 0 14 0 0 5 8 2 6 0 0 0 1 2 0 0 0 0 -2.7409 24 15 6 3 0 0 0 6 0 2 3 14 587.4 0.999 0.999 0 0.999 -3 25 844 3 0 0 11 0 0 0 0 0 0 1 5 0 0 0 0 0 0 3 1 0 0 5 16 3 0 5 3 5 11 0 5 0 0 0 1 0 0 18 0 0 5 1 18 0 0 3 9 3 3 0 0 0 2 1 0 0 0 0 -3.247 21 15 3 3 0 0 0 3 0 2.5 3 12 561.219 0.333 0.333 0 0.333 2 22 273 0 0 0 2 0 0 0 0 0 3 8 0 0 2 0 0 1 0 2 3 0 0 16 2 3 0 16 3 0 2 0 5 0 0 0 6 1 0 9 0 0 5 7 9 0 0 # 39.058 49.402 30.486 # ASN 133 Env_2i0e_17 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 7 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 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 0.0828 3 3 0 0 0 0 0 0 0 0 0 1 100.53 0 0 0 0 1 3 21 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 0 0 0 0 0 0 3 0 0 0 0 3 0 0 1 0 0 2 0 0 0 0 0 0 0 0 0 -0.234 3 1 2 0 0 0 0 2 0 0 0 3 61.784 0 0 0 0 -2 0 44 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 2 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 3 7 0 0 0 0 0 4 1 0 0 0 0 -1.5813 15 10 0 5 0 0 0 0 0 4.5 0 8 382.282 0.666 0.666 0 0.666 0 17 256 2 0 0 0 0 3 4 0 0 1 1 0 2 0 0 0 1 0 0 1 0 0 7 4 4 0 7 4 0 4 0 0 0 0 1 7 0 0 7 0 0 0 8 7 0 0 5 13 1 5 0 0 0 1 1 0 1 0 0 -1.2491 27 19 5 2 1 0 0 5 0 1.5 1 14 752.538 0.333 0.333 0 0.333 3 33 378 2 0 0 1 0 1 5 0 0 2 4 5 5 1 0 0 0 0 0 1 0 0 15 11 1 0 15 1 5 6 0 0 1 0 2 18 0 0 6 0 0 1 20 6 0 0 2 10 2 4 0 2 0 5 0 0 1 0 0 -5.5918 26 14 6 5 1 0 0 4 2 5 2 16 662.721 2 0 2 2 1 28 553 2 0 0 0 0 1 0 0 0 2 3 4 3 4 0 0 0 0 4 3 0 0 17 4 5 0 17 5 4 0 0 0 0 0 2 10 2 0 12 0 0 0 14 12 0 0 # 32.077 53.705 36.714 # THR 66 Env_2i0e_18 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 12 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 36 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 0 0 1 0 0 0 1 0 0 0 0 0 -0.3863 3 1 1 1 0 0 0 1 0 1 0 3 59.141 0 0 0 0 -2 0 17 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 2 0 1 0 2 1 0 0 0 0 0 0 0 3 0 0 0 0 0 0 3 0 0 0 2 9 1 1 0 0 0 4 0 0 0 0 0 -2.5822 17 12 1 4 0 0 0 1 0 4 1 11 455.244 0 0 0 0 1 12 517 0 0 0 0 0 0 2 0 0 0 1 0 6 0 0 0 0 0 6 2 0 0 9 2 6 0 9 6 0 2 0 0 0 0 0 13 0 0 4 0 0 0 13 4 0 0 4 12 2 7 0 0 0 1 0 0 0 0 0 -1.7052 26 18 7 1 0 0 0 7 0 1 2 16 693.713 0 0 0 0 2 19 581 0 0 0 0 0 0 2 0 0 0 5 1 4 0 0 0 0 0 5 9 0 0 18 3 5 0 18 5 1 2 0 0 0 0 0 22 0 0 4 0 0 0 22 4 0 0 6 16 3 1 0 0 0 6 0 2 1 0 0 -3.1966 35 25 1 8 1 0 2 1 0 6 4 16 941.846 0 0 0 0 6 41 604 0 0 0 0 0 0 2 0 0 0 6 2 3 2 0 4 1 0 5 10 0 0 21 4 10 0 21 10 2 2 0 0 0 0 0 26 0 0 9 0 0 0 26 9 0 0 # 35.084 59.974 37.214 # ALA 31 Env_2i0e_19 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 23 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 -0.3054 5 2 2 1 0 0 0 2 0 1 0 5 106.788 0 0 0 0 -3 0 123 0 0 0 1 0 0 0 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 4 0 4 0 1 0 0 0 0 1 0 0 1 3 0 0 0 2 3 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 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 1 0 0 0 0 1 0 0 0 2 3 3 1 0 0 1 3 0 0 0 0 0 -1.9416 13 8 2 3 0 0 0 1 0 3 2 8 316.858 0 0 0 0 -1.5 8 636 0 0 2 4 0 0 0 2 0 0 1 0 0 0 0 0 0 0 2 0 0 2 1 4 4 4 1 6 0 4 2 0 4 0 4 1 0 2 2 0 0 4 7 2 0 0 4 8 4 2 0 0 1 1 2 1 1 0 0 -1.6993 24 16 3 4 1 0 1 2 0 2 3 8 616.235 0.999 0.999 0 0.999 2 34 1134 0 0 1 3 0 0 0 0 0 0 6 0 5 0 0 0 0 0 5 1 0 3 12 3 6 3 12 6 0 3 3 0 9 0 3 10 0 0 2 0 0 9 13 2 0 0 3 11 1 6 0 0 0 3 0 0 0 0 0 -4.7344 24 15 6 3 0 0 0 6 0 3 1 15 625.257 0 0 0 0 -1.5 19 1008 0 0 3 4 0 0 0 0 0 0 3 0 2 0 2 0 0 0 4 3 0 3 10 4 7 3 10 7 0 4 3 0 8 0 0 5 0 0 11 0 0 8 5 11 0 0 # 42.422 51.735 43.366 # GLY 88 Env_2i0e_20 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 19 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 1 3 0 1 0 0 0 0 0 0 0 0 0 -0.5442 5 4 1 0 0 0 0 1 0 0 0 3 148.177 0 0 0 0 1 4 95 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 5 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 0 0 1 0 0 0 1 0 0 0 0 0 -0.3863 3 1 1 1 0 0 0 1 0 1 0 3 59.141 0 0 0 0 -2 0 160 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 1 0 2 0 1 2 0 0 0 0 0 0 0 0 0 0 3 0 0 0 0 3 0 0 0 6 0 0 0 0 0 2 0 0 1 0 0 -1.4065 9 6 0 2 1 0 0 0 0 2 0 4 250.569 0 0 0 0 3 11 345 0 0 1 0 0 0 0 0 0 0 1 2 3 0 0 0 0 0 2 0 0 0 4 2 3 0 4 3 2 0 0 0 0 0 0 6 0 0 3 0 0 0 6 3 0 0 4 8 3 3 0 0 0 1 2 1 0 0 0 -2.3902 22 15 3 4 0 0 1 3 0 2 3 8 562.146 0.999 0.999 0 0.999 1 36 690 0 0 2 3 0 0 6 1 0 0 1 2 1 0 0 0 1 0 5 0 0 0 2 11 8 1 2 9 2 9 0 0 0 0 0 10 0 1 11 0 0 0 11 11 0 0 8 10 2 7 0 1 0 7 1 0 0 0 0 -4.5006 36 20 8 8 0 0 0 7 1 7.5 3 23 854.785 1.666 0.666 1 1.666 -9 34 1009 2 0 4 4 0 0 3 5 0 0 2 5 4 0 0 1 2 0 3 0 0 1 8 12 10 6 8 15 5 7 1 0 0 0 0 15 1 2 18 0 0 0 18 18 0 0 # 35.512 54.009 41.226 # VAL 85 Env_2i0e_21 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 5 143 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 0 0 0 1 0 0 0 0 0 0 1 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 4 143 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 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 -0.0292 2 2 0 0 0 0 0 0 0 0 0 0 67.02 0 0 0 0 2 5 286 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 0 0 0 2 0 0 0 0 0 0 2 0 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 -0.3946 2 1 1 0 0 0 0 0 1 0 0 0 67.02 1 0 1 1 2 6 176 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 0 0 0 2 0 0 0 0 0 0 2 0 0 0 1 6 0 1 0 1 0 1 0 0 0 0 1 -0.9416 11 7 2 2 0 0 0 1 1 1 0 4 305.205 1 0 1 1 -1 19 549 0 0 0 0 0 0 0 2 0 0 0 8 0 0 0 0 0 0 0 0 0 1 0 8 0 3 0 2 8 0 1 0 0 0 0 10 0 0 1 0 0 0 10 1 0 0 2 5 0 2 0 0 0 2 0 0 0 0 3 -0.9781 14 7 2 4 0 1 0 2 0 2 0 9 337.55 0 0 0 0 -4 5 857 0 0 0 0 0 0 0 5 0 0 0 6 0 0 0 0 0 0 0 0 0 3 0 6 0 8 0 5 6 0 3 0 0 0 0 11 0 0 3 0 0 0 11 3 0 0 # 44.023 65.566 24.767 # LYS 12 Env_2i0e_22 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 21 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 42 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 0 0 1 0 0 0 2 0 0 0 0 0 -0.4577 5 2 1 2 0 0 0 1 0 2 0 5 104.145 0 0 0 0 -3 0 91 2 0 1 1 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 3 1 1 0 3 1 0 1 0 1 0 0 0 1 0 0 3 0 0 1 1 3 0 0 1 6 0 0 0 0 0 1 0 1 0 0 0 -0.6306 9 7 0 2 0 0 1 0 0 1 0 4 263.221 0 0 0 0 1 10 144 0 0 1 2 0 0 0 0 0 2 0 0 1 0 0 0 3 0 0 0 0 0 3 2 4 0 3 4 0 2 0 1 0 0 0 3 0 0 5 0 0 1 3 5 0 0 4 7 1 4 0 0 0 4 0 1 1 0 0 -3.2354 22 12 4 5 1 0 1 4 0 4 1 11 525.763 0.333 0.333 0 0.333 -3 29 376 0 0 5 4 0 0 0 0 0 3 0 2 2 1 0 0 2 0 1 2 0 0 8 6 8 0 8 8 2 4 0 6 0 0 0 9 0 0 7 0 0 6 9 7 0 0 5 10 6 3 0 0 0 2 2 0 0 0 0 -2.4619 28 21 3 4 0 0 0 3 0 3 7 11 736.576 0.666 0.666 0 0.666 7 46 396 0 0 1 3 0 0 0 0 0 1 1 2 4 6 0 0 2 0 2 6 0 0 18 5 5 0 18 5 2 3 0 2 0 0 1 11 0 0 14 0 0 2 12 14 0 0 # 35.77 51.901 34.249 # ALA 145 Env_2i0e_23 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 39 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 78 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 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 39 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 1 6 0 1 0 0 0 1 0 0 0 0 0 -0.8676 9 7 1 1 0 0 0 1 0 1 0 5 260.201 0 0 0 0 2 6 240 0 0 0 1 0 0 0 0 0 0 0 0 2 0 0 0 0 0 0 6 0 0 8 1 0 0 8 0 0 1 0 0 0 0 1 2 0 0 6 0 0 0 3 6 0 0 6 5 0 5 0 0 0 6 1 0 0 0 0 -2.7531 23 11 5 7 0 0 0 5 0 6.5 0 19 509.465 0.666 0.666 0 0.666 -10 7 520 1 0 2 4 0 0 0 4 0 0 3 3 2 0 0 0 0 0 0 4 0 0 10 7 2 4 10 6 3 4 0 1 0 0 4 11 0 0 7 0 0 1 15 7 0 0 7 12 2 7 0 0 0 2 1 1 0 0 0 -1.5908 32 21 7 4 0 0 1 7 0 2.5 2 24 842.973 0.333 0.333 0 0.333 -6 19 820 2 0 4 6 0 0 1 3 0 3 2 4 0 0 0 0 2 0 3 2 0 0 9 11 9 3 9 12 4 7 0 4 1 0 2 11 0 3 11 0 0 5 16 11 0 0 # 38.334 52.76 38.925 # MET 135