# EXCLUDED_RESIDUES HETATM # PDBID_LIST 3ln1 # POINT_FILE ../DUDE/pocket_res_ptf_dude_crys/3ln1_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_3ln1_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 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 1 3 0 0 0 0 0 0 0 0 0 0 0 -0.1286 4 4 0 0 0 0 0 0 0 0 0 2 134.04 0 0 0 0 2 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 0 0 0 2 0 0 0 2 0 0 0 0 0 -2.0817 4 0 2 2 0 0 0 2 0 2 0 4 51.262 0 0 0 0 -4 0 99 0 0 0 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 2 0 0 2 2 0 0 2 0 0 2 0 0 4 0 0 0 0 0 0 0 0 4 0 0 0 0 3 4 1 0 2 0 0 2 1 0 0 0 0 -0.8637 13 8 2 3 0 0 0 1 1 2.5 0 7 328.201 1.665 0.666 0.999 1.665 -4 26 168 0 3 0 0 0 0 6 1 0 0 0 0 3 0 0 0 0 0 0 0 0 0 3 9 0 1 3 1 3 6 0 0 9 0 1 0 0 3 0 0 0 9 4 0 0 0 3 9 2 6 2 0 0 1 1 0 0 0 0 -3.8013 24 14 8 2 0 0 0 6.5 1.5 1.5 2 11 604.681 0.666 0.333 0.333 0.666 -1 31 298 2 3 0 0 0 0 6 2 0 0 1 0 3 3 0 0 4 0 0 0 0 0 9 9 4 2 9 6 3 6 0 0 18 0 1 0 0 5 0 0 0 18 6 0 0 0 4 12 5 2 2 0 1 2 1 1 1 0 0 -2.4832 31 21 5 4 1 0 1 2.5 1.5 2.5 3 12 832.092 0.999 0.333 0.666 0.999 -0.5 47 499 1 5 0 0 0 0 2 4 0 0 3 0 1 6 2 0 1 0 2 0 0 4 13 7 3 8 13 7 5 2 4 0 18 0 2 0 0 9 2 0 0 18 11 2 0 0 # 28.733 -18.941 -13.706 # VAL 492 Env_3ln1_1 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 30 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 1 0 0 0 0 0 1 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 90 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 3 0 0 0 0 0 3 0 0 0 1 0 1 2 0 0 1 3 0 0 0 0 0 -2.1131 8 2 3 3 0 0 0 2 0 3 0 6 143.913 0 0 0 0 -5.5 0 445 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 3 0 1 0 0 4 0 0 4 4 0 4 0 0 4 0 2 0 0 0 3 3 0 0 0 2 6 0 0 0 3 2 3 3 0 0 3 1 0 0 0 0 0 -1.0774 15 8 6 1 0 0 0 3 0 1 0 9 364.396 0 0 0 0 -5.5 0 830 0 0 0 0 0 0 0 0 0 1 3 0 0 0 0 0 0 0 3 0 0 8 4 0 3 8 4 3 0 0 8 0 12 0 0 0 0 3 0 0 0 12 3 0 0 0 3 7 8 0 0 0 1 3 0 0 0 0 0 -1.334 22 18 1 3 0 0 0 0 0 3 5 9 610.912 0 0 0 0 5.5 17 1418 0 0 0 0 0 0 0 2 0 3 2 0 0 0 0 0 0 0 6 1 0 8 6 0 6 10 6 8 0 0 8 0 14 0 0 0 2 5 1 0 0 14 7 1 0 0 4 9 5 4 0 0 1 5 0 0 0 0 0 -2.822 28 18 5 5 0 0 0 4 0 5 4 14 691.495 0 0 0 0 0 25 1655 0 1 1 0 0 0 0 1 0 1 1 0 0 1 4 2 1 0 8 1 0 6 8 1 12 7 8 13 1 0 6 0 10 0 0 0 5 6 7 0 0 10 11 7 0 0 # 23.801 -16.945 -23.889 # THR 62 Env_3ln1_2 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 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 4 150 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 5 0 0 0 0 0 0 0 0 5 0 0 0 0 1 0 0 1 0 0 0 2 0 0 0 0 0 -0.9542 4 1 1 2 0 0 0 1 0 2 0 4 70.635 0 0 0 0 -3 0 68 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 1 2 0 0 2 0 2 0 2 2 0 0 0 0 4 0 0 0 0 0 0 0 0 4 0 0 0 0 2 4 1 1 0 0 0 2 0 0 0 0 0 -1.0236 10 7 1 2 0 0 0 1 0 2 1 8 264.706 0 0 0 0 -1 6 52 0 0 0 0 0 1 0 0 0 4 1 0 0 0 0 0 0 0 3 1 0 0 6 0 4 0 6 4 0 0 0 0 9 0 0 0 0 0 1 0 0 9 0 1 0 0 2 17 2 5 0 0 0 2 0 2 0 0 0 -4.6891 30 21 5 4 0 0 2 5 0 2 2 11 811.777 0 0 0 0 7 36 500 0 0 0 2 0 3 1 0 0 3 9 0 0 0 0 4 0 0 4 3 0 1 15 3 11 1 15 11 0 3 1 0 26 0 0 0 2 0 2 0 0 26 2 2 0 0 6 13 2 2 0 0 0 3 0 0 0 0 0 -0.1372 26 21 2 3 0 0 0 2 0 3 3 12 726.626 0 0 0 0 4.5 37 510 0 0 0 2 0 3 3 0 0 3 5 0 0 0 0 2 0 0 3 2 0 3 10 5 8 3 10 8 0 5 3 0 23 0 0 0 2 0 1 0 0 23 2 1 0 0 # 34.089 -26.449 -19.12 # VAL 318 Env_3ln1_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 48 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 2 0 0 0 0 0 0 0 0 0 0 0 -0.0684 2 2 0 0 0 0 0 0 0 0 0 0 67.02 0 0 0 0 2 2 20 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 2 0 0 0 0 0 0 0 0 2 0 0 0 0 2 3 6 2 0 0 0 3 0 0 0 0 0 -2.1858 16 11 2 3 0 0 0 2 0 3 6 10 383.49 0 0 0 0 1 21 218 0 0 1 0 0 0 0 1 0 0 0 0 0 10 0 2 0 0 2 0 0 0 10 0 5 1 10 6 0 0 0 0 12 0 0 0 2 0 2 0 0 12 2 2 0 0 4 9 8 2 0 0 0 2 0 1 0 0 0 -2.2352 26 21 2 3 0 0 1 2 0 2 9 9 697.344 0 0 0 0 9 50 276 1 0 1 0 0 0 1 2 0 2 4 0 0 9 0 3 0 0 3 0 0 0 16 1 7 2 16 9 0 1 0 0 15 0 1 0 6 0 4 0 0 15 7 4 0 0 7 10 9 9 0 0 0 5 0 1 0 0 0 -5.2945 41 26 9 6 0 0 1 9 0 5 9 24 1008.63 0 0 0 0 0 47 463 7 0 4 0 0 0 1 3 0 4 5 0 0 7 2 1 2 0 5 0 0 0 25 1 12 3 25 15 0 1 0 0 22 0 4 0 8 0 7 0 0 22 12 7 0 0 # 36.6467 -25.7292 -8.01367 # PHE 350 Env_3ln1_4 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 10 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 1 0 0 0 0 0 0 0 0 1 0 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 56 1 0 0 0 0 0 0 3 0 0 1 0 0 0 0 0 0 0 0 0 0 0 2 0 0 3 2 3 0 0 0 0 5 0 0 0 0 0 0 0 0 5 0 0 0 0 0 0 0 0 0 0 0 2 0 0 0 0 0 -1.1358 2 0 0 2 0 0 0 0 0 2 0 2 22.988 0 0 0 0 -2 0 5 0 0 0 0 0 0 0 0 0 0 1 0 1 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 4 9 3 3 0 0 0 1 0 0 0 0 0 -0.5969 20 16 3 1 0 0 0 3 0 1 3 11 569.098 0 0 0 0 4 21 250 3 0 0 0 0 0 1 0 0 0 6 0 1 4 2 0 0 0 0 3 0 0 19 1 0 0 19 0 0 1 0 0 20 0 0 0 0 0 0 0 0 20 0 0 0 0 2 12 4 3 0 0 0 3 0 0 1 0 0 -2.0097 25 18 3 3 1 0 0 3 0 3 4 13 666.754 0 0 0 0 5 26 283 1 0 0 0 0 0 3 0 0 0 2 0 3 7 4 3 1 0 0 1 0 0 18 3 4 0 18 4 0 3 0 0 25 0 0 0 0 0 0 0 0 25 0 0 0 0 5 10 13 3 0 0 0 5 0 1 0 0 0 -5.113 37 28 3 6 0 0 1 3 0 5 14 14 945.588 0 0 0 0 12 72 447 0 0 0 0 0 0 2 0 0 0 6 0 2 14 1 2 1 2 4 3 0 0 26 2 9 0 28 7 0 2 0 0 28 0 0 0 7 0 2 0 0 28 7 2 0 0 # 33.278 -21.691 -10.153 # GLY 495 Env_3ln1_5 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 35 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 0 160 0 0 0 0 0 0 0 3 0 0 0 0 0 0 0 1 0 0 1 0 0 0 0 0 2 3 0 5 0 0 0 0 1 0 0 0 3 0 1 0 0 1 3 1 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 19 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 1 0 0 0 0 0 0 0 0 1 0 0 0 0 3 5 1 2 0 0 0 4 0 1 0 0 0 -2.7547 16 9 2 5 0 0 1 2 0 4 1 10 396.3 0 0 0 0 -4 13 460 0 0 0 0 0 2 0 0 0 0 2 0 0 0 0 4 1 0 5 0 0 2 2 0 12 2 2 12 0 0 2 0 9 0 0 0 2 0 5 0 0 9 2 5 0 0 2 4 2 4 0 0 1 2 0 0 0 0 0 -2.3951 15 8 5 2 0 0 0 4 0 2 2 7 339.194 0 0 0 0 -4 20 506 0 0 0 0 0 5 0 0 0 0 2 0 0 0 0 0 1 0 2 1 0 4 3 0 8 4 3 8 0 0 4 0 8 0 0 0 4 1 2 0 0 8 5 2 0 0 5 10 9 2 0 0 3 2 0 1 0 0 0 -1.7151 32 24 5 3 0 0 1 2 0 2 3 10 875.23 0 0 0 0 3.5 23 1128 1 0 0 0 0 6 0 0 0 0 3 0 0 0 0 0 5 0 3 1 0 13 5 0 14 13 5 14 0 0 13 0 15 0 0 0 6 7 4 0 0 15 13 4 0 0 # 26.089 -23.409 -23.094 # GLY 323 Env_3ln1_6 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 22 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 4 0 1 0 0 0 0 0 0 0 0 0 -0.9383 5 4 1 0 0 0 0 1 0 0 0 2 148.177 0 0 0 0 2 8 110 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 2 0 0 1 0 0 0 3 0 0 0 0 0 -0.9249 6 2 1 3 0 0 0 1 0 3 0 6 115.639 0 0 0 0 -4 0 118 0 0 0 0 0 0 0 0 0 0 2 0 0 0 0 1 0 0 1 1 0 1 3 0 2 1 3 2 0 0 1 0 6 0 0 0 0 0 0 0 0 6 0 0 0 0 2 3 1 2 0 0 1 1 0 0 0 0 0 -1.0886 10 6 3 1 0 0 0 2 0 1 1 8 247.976 0 0 0 0 -3 4 209 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 1 0 0 1 3 0 4 4 0 2 4 4 2 0 0 4 0 10 0 0 0 0 0 0 0 0 10 0 0 0 0 3 8 12 3 0 0 0 2 0 1 0 0 0 -3.1681 29 23 3 3 0 0 1 3 0 2 10 7 774.815 0 0 0 0 9.5 60 604 0 0 0 0 0 7 0 1 0 1 0 0 0 6 0 3 0 1 4 3 0 3 10 0 15 4 11 15 0 0 3 0 20 0 0 0 4 4 1 0 0 20 8 1 0 0 2 7 11 1 0 0 1 3 0 2 0 0 0 -4.5919 27 20 2 5 0 0 2 1 0 3 11 6 672.565 0 0 0 0 9.5 58 383 0 0 0 2 0 2 0 1 0 3 0 0 0 5 0 2 0 3 6 1 0 2 9 2 13 3 12 11 0 2 2 0 13 0 1 0 4 6 3 0 0 13 11 3 0 0 # 29.03 -26.696 -17.795 # LEU 321 Env_3ln1_7 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 1 0 0 0 0 0 0 0 0 1 0 0 0 0 1 2 0 1 0 0 0 0 0 0 0 0 0 0.4829 4 3 1 0 0 0 0 1 0 0 0 3 114.667 0 0 0 0 0 2 96 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 4 0 0 0 0 0 0 0 0 4 0 0 0 0 1 2 0 1 0 0 0 2 0 0 0 0 0 -1.7105 6 3 1 2 0 0 0 1 0 2 0 4 137.655 0 0 0 0 -1 6 125 1 0 0 0 0 0 0 0 0 0 3 1 0 0 0 1 0 0 0 0 0 0 4 1 1 0 4 1 1 0 0 0 6 0 0 0 0 0 0 0 0 6 0 0 0 0 2 3 0 0 0 0 0 2 0 0 0 0 0 -0.2472 7 5 0 2 0 0 0 0 0 2 0 7 190.538 0 0 0 0 -2 0 80 1 0 0 0 0 0 0 0 0 0 0 1 0 0 3 2 0 0 0 0 0 0 4 1 2 0 4 2 1 0 0 0 7 0 0 0 0 0 0 0 0 7 0 0 0 0 3 15 0 6 0 0 0 3 0 1 0 0 0 -2.9663 28 18 6 4 0 0 1 6 0 3 0 15 739.641 0 0 0 0 1 22 345 2 2 0 0 0 0 0 1 0 0 10 2 3 3 1 3 0 0 0 1 0 0 20 4 3 1 20 4 4 0 0 0 28 0 0 0 0 0 0 0 0 28 0 0 0 0 6 18 2 5 1 0 0 2 0 1 1 0 0 -2.9557 36 26 6 3 1 0 1 5 1 2 2 18 1015.21 0 0 0 0 5 48 562 1 4 0 0 0 0 0 5 0 2 5 3 4 3 3 3 1 0 0 2 0 0 20 7 4 5 20 9 7 0 0 0 33 0 0 0 1 0 2 0 0 33 1 2 0 0 # 40.084 -21.784 -15.753 # LEU 500 Env_3ln1_8 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 3 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 6 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 3 0 0 0 0 1 1 0 0 0 0 0 -1.3112 5 3 1 1 0 0 0 0 1 1 1 2 132.603 0 0 0 0 0 8 33 0 0 0 0 0 0 0 0 0 0 2 0 2 0 0 0 0 1 0 0 0 0 4 0 1 0 5 0 0 0 0 0 4 0 0 0 0 0 1 0 0 4 0 1 0 0 2 7 6 1 0 0 0 1 0 0 0 0 0 -0.7491 17 15 1 1 0 0 0 1 0 1 6 5 474.463 0 0 0 0 8 33 136 0 0 0 0 0 0 0 0 0 0 8 0 3 3 0 0 0 3 0 0 0 0 14 0 3 0 17 0 0 0 0 0 11 0 0 0 0 3 3 0 0 11 3 3 0 0 2 7 6 3 0 0 0 2 0 0 0 0 0 -2.9772 20 15 3 2 0 0 0 3 0 2 6 10 514.231 0 0 0 0 5 32 226 0 0 0 0 0 0 0 1 0 0 6 0 0 4 0 0 2 3 2 2 0 0 12 0 7 1 15 5 0 0 0 0 10 0 0 0 2 5 3 0 0 10 7 3 0 0 8 17 6 7 0 0 0 7 1 0 0 0 0 -4.1369 46 31 7 8 0 0 0 7 0 7.5 6 28 1184.49 0.333 0.333 0 0.333 1 40 667 2 0 0 0 0 0 2 5 0 0 6 0 0 3 0 0 5 5 7 7 0 4 18 2 17 9 23 17 0 2 4 0 21 0 3 0 6 7 9 0 0 21 16 9 0 0 # 27.838 -23.815 -8.155 # MET 491 Env_3ln1_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 11 126 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 3 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 42 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 1 0 0 0 0 0 1 0 0 0 0 1 0 0 0 0 0 1 0 0 0 0 0 -0.5714 2 1 0 1 0 0 0 0 0 1 0 1 45.004 0 0 0 0 0 1 64 0 0 0 0 0 1 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 1 0 1 0 1 1 0 0 0 0 1 0 0 0 1 0 0 0 0 1 1 0 0 0 2 7 0 3 0 0 0 2 1 0 0 0 0 -2.457 15 9 3 3 0 0 0 3 0 2.5 0 11 381.126 0.333 0.333 0 0.333 -3 7 340 3 0 0 2 0 2 0 1 0 4 2 0 0 0 0 0 0 0 0 0 0 1 9 2 2 2 9 3 0 2 1 0 3 0 0 0 4 4 4 0 0 3 8 4 0 0 7 7 3 4 0 0 2 3 1 1 0 0 0 -1.5291 28 17 6 5 0 0 1 4 0 3.5 0 15 707.337 0.666 0.666 0 0.666 -4.5 18 654 2 0 0 3 0 2 0 1 0 3 4 0 0 1 1 5 0 0 0 0 0 6 11 3 7 7 11 8 0 3 6 0 14 0 1 0 5 4 4 0 0 14 10 4 0 0 2 14 6 4 0 0 1 6 0 1 0 0 0 -4.7979 34 22 5 7 0 0 1 4 0 6 5 17 853.139 0 0 0 0 -1 28 1129 0 0 0 4 0 1 0 3 0 1 0 0 0 8 7 5 0 0 1 0 0 4 16 4 7 7 16 10 0 4 4 0 7 0 3 0 11 9 4 0 0 7 23 4 0 0 # 23.5993 -25.252 -19.1213 # GLN 161 Env_3ln1_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 1 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 2 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 4 0 1 0 0 0 0 0 0 0 0 0 -1.0686 5 4 1 0 0 0 0 1 0 0 0 2 148.177 0 0 0 0 2 6 79 0 0 0 0 0 0 0 0 0 0 1 1 2 0 0 0 0 0 0 1 0 0 4 1 0 0 4 0 1 0 0 0 3 0 0 0 0 0 2 0 0 3 0 2 0 0 3 8 3 1 0 0 0 2 0 0 0 0 0 -0.5381 17 14 1 2 0 0 0 1 0 2 3 8 485.298 0 0 0 0 6 22 282 0 0 0 0 0 0 0 0 0 0 5 4 3 3 0 0 0 0 0 2 0 0 13 4 0 0 13 0 4 0 0 0 6 0 0 0 0 3 8 0 0 6 3 8 0 0 3 9 2 5 0 0 0 4 0 0 0 0 0 -4.1769 23 14 5 4 0 0 0 5 0 4 2 14 565.881 0 0 0 0 0 22 671 0 1 0 0 0 0 0 0 0 3 8 5 0 3 0 0 0 0 0 3 0 0 17 6 0 0 17 0 6 0 0 1 13 0 0 0 0 2 7 0 0 14 2 7 0 0 6 19 2 4 2 0 0 5 0 0 0 0 0 -2.4806 38 27 6 5 0 0 0 4.5 1.5 5 1 20 1043.88 0.666 0 0.666 0.666 2 48 1353 0 5 0 1 0 0 1 0 0 8 4 7 0 6 0 3 0 0 2 1 0 0 19 14 5 0 19 5 12 2 0 1 26 0 0 0 0 4 7 0 0 27 4 7 0 0 # 38.914 -21.413 -24.425 # MET 82 Env_3ln1_11 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 8 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 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 24 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 0 0 0 3 0 0 0 0 3 0 0 1 1 0 1 0 0 0 3 0 0 0 0 0 -1.6455 6 2 1 3 0 0 0 1 0 3 0 4 115.639 0 0 0 0 -3 5 198 1 2 0 1 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 2 3 1 0 2 1 2 1 0 0 0 0 0 0 2 3 1 0 0 0 5 1 0 0 5 5 0 4 0 0 0 3 0 0 0 0 0 -0.3567 17 10 4 3 0 0 0 4 0 3 0 14 413.199 0 0 0 0 -5 7 860 0 4 0 3 0 2 0 0 0 2 0 0 0 3 3 0 0 0 0 0 0 0 8 7 2 0 8 2 4 3 0 0 0 0 0 0 8 9 0 0 0 0 17 0 0 0 1 12 1 2 1 0 2 3 0 0 0 0 0 -4.2365 22 14 5 3 0 0 0 2.5 0.5 3 0 8 594.891 0.333 0 0.333 0.333 -0.5 23 807 0 2 0 1 0 1 0 1 0 3 1 0 0 2 8 0 0 0 0 0 0 3 14 3 1 4 14 2 2 1 3 0 4 0 5 0 6 6 1 0 0 4 17 1 0 0 5 11 7 3 3 0 0 2 1 0 0 0 0 -1.0351 32 23 6 3 0 0 0 3.5 2.5 2.5 3 12 850.151 1.665 0.666 0.999 1.665 2 50 996 0 5 0 2 0 3 0 5 0 1 1 0 0 3 6 2 1 0 0 1 0 2 12 7 6 7 12 11 5 2 2 0 6 0 5 0 11 7 3 0 0 6 23 3 0 0 # 21.786 -21.527 -17.416 # ALA 485 Env_3ln1_12 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 38 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 19 152 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 1 0 0 0 0 0 0 0 0 0 0 0 0.039 1 1 0 0 0 0 0 0 0 0 0 0 33.51 0 0 0 0 1 2 38 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 1 2 0 0 0 0 0 0 2 0 0 0 0 -1.0151 5 3 0 2 0 0 0 0 0 1 0 0 115.873 0.999 0.999 0 0.999 0 13 134 1 1 0 0 0 0 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 4 0 0 1 0 1 3 0 0 5 0 0 0 0 0 0 0 0 5 0 0 0 0 3 9 0 4 0 0 0 3 0 2 0 0 0 -3.5477 21 12 4 5 0 0 2 4 0 3 0 13 527.464 0 0 0 0 -4 19 508 3 2 0 0 0 0 6 0 0 0 1 0 0 0 3 1 0 0 1 4 0 0 11 8 2 0 11 2 2 6 0 0 20 0 0 0 0 0 1 0 0 20 0 1 0 0 5 16 1 1 0 0 0 2 0 1 0 0 0 -0.0436 26 22 1 3 0 0 1 1 0 2 2 12 771.582 0 0 0 0 7 34 727 1 1 0 0 0 0 0 1 0 0 4 0 0 0 5 4 0 0 3 7 0 0 17 1 7 1 17 8 1 0 0 0 23 0 0 0 1 0 2 0 0 23 1 2 0 0 # 34.258 -16.347 -16.289 # ARG 89 Env_3ln1_13 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 19 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 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 0.1868 2 2 0 0 0 0 0 0 0 0 0 1 67.02 0 0 0 0 0 1 38 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 2 0 0 0 0 0 0 0 0 2 0 0 0 0 2 1 2 3 0 0 0 2 0 0 0 0 0 -1.3949 10 5 3 2 0 0 0 3 0 2 2 7 213.029 0 0 0 0 -2 6 323 0 0 0 0 0 2 0 1 0 0 0 0 0 0 0 2 0 0 4 1 0 0 1 0 8 1 1 9 0 0 0 0 5 0 0 0 1 0 4 0 0 5 1 4 0 0 7 4 3 4 0 0 0 3 0 0 0 0 0 -0.9875 21 14 4 3 0 0 0 4 0 3 4 14 523.633 0 0 0 0 -3 26 649 0 0 0 0 0 4 0 2 0 0 4 0 0 0 0 1 0 0 7 1 0 2 5 0 12 4 5 14 0 0 2 0 11 0 0 0 2 0 8 0 0 11 2 8 0 0 0 10 0 1 0 0 0 4 0 1 0 0 0 -3.7408 16 10 1 5 0 0 1 1 0 4 0 7 412.37 0 0 0 0 1 22 446 0 0 0 0 0 3 0 1 0 0 4 0 0 1 0 0 0 0 1 3 0 3 8 0 4 4 8 5 0 0 3 0 10 0 0 0 1 2 3 0 0 10 3 3 0 0 3 11 1 4 0 0 1 4 0 0 0 0 0 -3.3357 24 15 5 4 0 0 0 4 0 4 0 13 629.603 0 0 0 0 -1 15 477 0 0 0 1 0 1 0 0 0 1 7 0 0 4 0 0 1 0 2 2 0 5 14 1 4 5 14 4 0 1 5 0 12 0 0 0 3 6 3 0 0 12 9 3 0 0 # 30.073 -23.42 -22.343 # SER 322 Env_3ln1_14 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 0 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 1 0 0 0 0 0 0 0 1 0 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 31 0 0 0 0 0 0 1 3 0 0 0 0 0 1 0 0 0 0 0 0 0 0 1 1 0 3 1 3 0 1 0 0 1 0 3 0 0 1 0 0 0 1 4 0 0 0 0 0 0 0 0 0 0 2 1 0 0 0 0 -1.9759 3 0 0 3 0 0 0 0 0 2.5 0 2 37.125 0.333 0.333 0 0.333 -3 4 142 0 0 0 0 0 0 1 0 0 0 0 1 0 1 0 0 0 0 0 0 0 0 1 2 0 0 1 0 1 1 0 0 0 0 0 0 0 2 1 0 0 0 2 1 0 0 4 9 0 4 0 0 0 0 1 0 0 0 0 0.3812 18 13 4 1 0 0 0 4 0 0.5 0 10 493.384 0.666 0.666 0 0.666 0 16 313 1 2 0 0 0 0 7 0 0 0 0 1 0 3 3 0 1 0 0 0 0 0 7 10 1 0 7 1 3 7 0 0 4 0 3 0 0 10 1 0 0 4 13 1 0 0 3 15 3 3 1 0 0 5 0 0 0 0 0 -2.4876 30 21 4 5 0 0 0 3 1 5 2 17 791.319 0.333 0 0.333 0.333 0 27 536 1 5 0 0 0 0 5 0 0 2 1 2 3 2 4 0 3 0 0 2 0 0 15 12 3 0 15 3 7 5 0 0 11 0 4 0 0 13 2 0 0 11 17 2 0 0 7 11 1 4 2 0 0 6 1 2 0 0 0 -5.0988 34 19 6 9 0 0 2 5 1 6.5 1 19 839.591 1.332 0.666 0.666 1.332 -7 47 567 7 4 1 0 0 0 3 1 0 2 4 2 3 1 0 0 2 0 1 3 0 0 20 9 4 1 20 5 6 3 0 0 16 0 0 0 0 11 7 0 0 16 11 7 0 0 # 22.878 -19.014 -11.391 # GLY 488 Env_3ln1_15 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 18 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 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 0.1868 2 2 0 0 0 0 0 0 0 0 0 1 67.02 0 0 0 0 0 1 36 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 2 0 0 0 0 0 0 0 0 2 0 0 0 0 1 1 0 2 0 0 0 1 0 0 0 0 0 -1.2139 5 2 2 1 0 0 0 2 0 1 0 4 106.788 0 0 0 0 -2 3 81 0 0 0 0 0 0 0 0 0 0 2 0 0 0 0 3 0 0 0 0 0 0 2 0 3 0 2 3 0 0 0 0 5 0 0 0 0 0 0 0 0 5 0 0 0 0 1 4 1 0 0 0 0 2 0 0 0 0 0 -0.3105 8 6 0 2 0 0 0 0 0 2 1 4 217.059 0 0 0 0 2 11 135 1 0 0 0 0 0 0 1 0 0 3 0 0 2 0 0 0 0 0 1 0 0 7 0 0 1 7 1 0 0 0 0 8 0 0 0 0 0 0 0 0 8 0 0 0 0 4 10 4 4 0 0 0 1 0 1 0 0 0 -3.1162 24 18 4 2 0 0 1 4 0 1 5 10 647.492 0 0 0 0 6 43 382 3 0 0 0 0 0 0 1 0 0 7 1 0 6 0 0 0 0 3 3 0 0 19 1 3 1 19 4 1 0 0 0 21 0 0 0 3 0 0 0 0 21 3 0 0 0 5 13 10 3 0 0 0 3 0 0 0 0 0 -2.2535 34 28 3 3 0 0 0 3 0 3 11 17 926.41 0 0 0 0 9 49 316 1 0 0 0 0 0 0 4 0 2 3 2 0 7 5 0 0 0 5 5 0 0 23 2 5 4 23 9 2 0 0 0 31 0 0 0 3 0 0 0 0 31 3 0 0 0 # 36.799 -25.647 -14.09 # SER 499 Env_3ln1_16 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 72 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 24 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 1 0 0 0 0 0 0 0 0 -0.7669 3 2 1 0 0 0 0 0.5 0.5 0 0 1 91.449 0.333 0 0.333 0.333 0 7 86 0 1 0 0 0 0 2 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 3 0 0 0 0 0 0 0 0 3 0 0 0 0 2 6 1 1 2 0 0 2 0 0 0 0 0 -1.5643 14 9 3 2 0 0 0 1.5 1.5 2 0 6 370.792 0.666 0 0.666 0.666 0 24 365 0 3 0 0 0 0 3 0 0 0 1 0 0 0 3 0 0 0 0 4 0 0 8 6 0 0 8 0 3 3 0 0 12 0 0 0 0 1 1 0 0 12 1 1 0 0 2 7 1 2 2 0 0 3 0 0 0 0 0 -2.4339 17 10 4 3 0 0 0 3 1 3 0 8 433.783 0.999 0 0.999 0.999 -3 29 324 1 4 0 0 0 0 3 0 0 0 3 0 0 1 4 0 0 0 0 1 0 0 10 7 0 0 10 0 4 3 0 0 12 0 0 0 1 2 2 0 0 12 3 2 0 0 6 15 0 6 1 0 0 3 1 1 0 0 0 -3.0318 33 21 7 5 0 0 1 6 1 3.5 0 18 861.956 0.666 0.666 0 0.666 -2.5 34 579 2 2 1 0 0 0 4 1 0 0 5 0 2 2 3 1 5 0 1 3 0 1 17 6 8 2 17 9 2 4 1 0 25 0 0 0 4 1 3 0 0 25 5 3 0 0 # 31.3993 -14.738 -13.9793 # GLU 493 Env_3ln1_17 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 0 0 0 0 0 0 1 0 0 0 0 1 0 0 0 4 0 1 0 0 0 0 0 0 0 0 0 -0.9383 5 4 1 0 0 0 0 1 0 0 0 2 148.177 0 0 0 0 2 8 50 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 0 0 0 0 0 0 5 0 0 0 0 5 0 0 2 0 0 1 0 0 0 2 0 0 0 0 0 -0.1932 5 2 1 2 0 0 0 1 0 2 0 4 104.145 0 0 0 0 -3 4 226 0 0 0 0 0 1 0 0 0 0 2 2 0 0 0 0 0 0 0 0 0 0 2 2 1 0 2 1 2 0 0 0 1 0 0 0 0 0 4 0 0 1 0 4 0 0 2 6 0 0 0 0 0 3 0 0 1 0 0 -1.5238 12 8 0 3 1 0 0 0 0 3 0 7 316.152 0 0 0 0 1 13 410 0 0 0 0 0 2 1 0 0 3 0 3 2 1 0 0 0 0 0 0 0 0 6 4 2 0 6 2 3 1 0 0 8 0 0 0 0 1 3 0 0 8 1 3 0 0 4 12 4 5 1 0 0 2 0 0 0 0 0 -2.5423 28 20 6 2 0 0 0 5.5 0.5 2 4 12 764.696 0.333 0 0.333 0.333 6 39 990 0 1 0 0 0 4 5 0 0 2 0 6 1 6 0 0 0 0 0 3 0 0 12 12 4 0 12 4 7 5 0 0 16 0 0 0 0 5 7 0 0 16 5 7 0 0 2 15 6 4 1 0 0 3 2 1 0 0 0 -5.4682 34 23 5 6 0 0 1 4 1 4 5 12 861.021 1.332 0.999 0.333 1.332 4 56 766 0 2 0 1 0 2 3 0 0 3 0 1 2 5 0 2 0 0 4 8 0 1 18 7 8 1 18 8 3 4 1 0 23 0 0 0 1 4 6 0 0 23 5 6 0 0 # 35.844 -24.32 -24.57 # LEU 328 Env_3ln1_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 24 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 1 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 -0.3819 2 1 1 0 0 0 0 1 0 0 0 2 47.647 0 0 0 0 -1 0 48 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 2 0 0 0 0 0 0 0 0 2 0 0 0 0 2 1 0 1 0 0 0 2 0 0 0 0 0 -0.1769 6 3 1 2 0 0 0 1 0 2 0 5 137.655 0 0 0 0 -3 1 94 2 0 0 0 0 0 0 1 0 0 0 0 0 0 2 0 0 0 0 1 0 0 5 0 0 1 5 1 0 0 0 0 6 0 0 0 0 0 0 0 0 6 0 0 0 0 1 7 1 1 3 0 0 2 0 0 0 0 0 -3.0919 15 9 4 2 0 0 0 2 2 2 0 6 395.221 0.999 0 0.999 0.999 -2 33 372 0 6 0 0 0 0 1 3 0 0 1 0 0 0 2 0 0 0 0 2 0 0 5 7 0 3 5 3 6 1 0 0 15 0 0 0 0 0 0 0 0 15 0 0 0 0 4 8 0 5 0 0 0 2 2 0 0 0 0 -1.7254 21 12 5 4 0 0 0 5 0 3 0 12 511.136 0.999 0.999 0 0.999 -4 18 377 0 1 0 0 0 0 6 0 0 0 6 0 1 1 2 2 0 0 0 2 0 0 12 7 2 0 12 2 1 6 0 0 21 0 0 0 0 0 0 0 0 21 0 0 0 0 3 10 0 1 0 0 0 2 0 2 0 0 0 -2.3546 18 13 1 4 0 0 2 1 0 2 0 11 507.069 0 0 0 0 0 18 367 0 1 0 0 0 0 2 0 0 0 3 0 1 2 1 3 0 0 1 4 0 0 11 3 4 0 11 4 1 2 0 0 17 0 0 0 0 0 1 0 0 17 0 1 0 0 # 34.367 -19.716 -14.422 # ALA 496 Env_3ln1_19 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 2 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 10 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 2 0 0 0 0 0 -1.4269 5 2 1 2 0 0 0 1 0 2 0 4 104.145 0 0 0 0 -2 3 39 0 0 0 0 0 0 1 1 0 0 2 0 0 0 0 0 1 0 0 0 0 0 2 1 1 1 2 2 0 1 0 0 5 0 0 0 0 0 0 0 0 5 0 0 0 0 2 3 7 0 0 0 0 2 0 0 0 0 0 -1.2101 14 12 0 2 0 0 0 0 0 2 7 6 370.243 0 0 0 0 6 28 110 0 0 0 0 0 0 2 1 0 0 1 0 2 7 0 0 1 0 0 0 0 0 10 2 1 1 10 2 0 2 0 0 8 0 0 0 6 0 0 0 0 8 6 0 0 0 2 14 2 4 0 0 0 1 0 0 0 0 0 -2.3308 23 18 4 1 0 0 0 4 0 1 2 10 657.244 0 0 0 0 6 28 259 1 0 0 0 0 0 2 1 0 0 5 0 2 3 2 0 3 0 0 4 0 0 17 2 3 1 17 4 0 2 0 0 22 0 0 0 1 0 0 0 0 22 1 0 0 0 3 19 7 5 0 0 0 4 0 1 1 0 0 -4.4979 40 29 5 5 1 0 1 5 0 4 7 18 1071.32 0 0 0 0 11 49 252 1 0 0 0 0 0 7 1 0 0 6 0 3 10 2 0 2 0 7 1 0 0 23 7 9 1 23 10 0 7 0 0 37 0 0 0 2 0 1 0 0 37 2 1 0 0 # 32.299 -18.678 -7.12 # LEU 494 Env_3ln1_20 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 11 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 1 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 44 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 4 0 0 0 0 4 0 0 0 0 1 0 0 0 0 0 1 0 0 0 0 0 -0.5541 2 1 0 1 0 0 0 0 0 1 0 0 45.004 0 0 0 0 0 5 87 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 1 1 0 0 0 1 0 0 0 0 1 0 0 0 1 1 0 0 0 2 9 3 2 0 0 1 2 1 0 0 0 0 -2.2428 20 14 3 3 0 0 0 2 0 2.5 0 7 535.745 0.333 0.333 0 0.333 2 15 590 0 1 3 0 0 0 6 0 0 0 0 0 0 0 2 0 0 0 0 3 0 5 5 7 3 5 5 3 1 6 5 0 19 0 0 0 0 1 0 0 0 19 1 0 0 0 5 8 0 3 0 0 1 3 1 0 0 0 0 -1.801 21 13 4 4 0 0 0 3 0 3.5 0 13 525.227 0.999 0.999 0 0.999 -5 17 583 0 2 4 0 0 0 5 3 0 0 0 0 0 1 2 0 0 0 0 1 0 3 4 7 4 6 4 7 2 5 3 0 15 0 3 0 0 3 0 0 0 15 6 0 0 0 6 8 1 8 1 0 0 2 2 1 0 0 0 -3.9216 29 15 9 5 0 0 1 8.5 0.5 3 1 18 701.605 0.999 0.666 0.333 0.999 -9 31 936 1 2 0 0 0 0 5 1 0 0 0 0 0 2 6 0 3 0 3 4 0 2 13 7 6 3 13 7 2 5 2 0 19 0 2 0 2 3 3 0 0 19 7 3 0 0 # 25.983 -15.827 -15.696 # ARG 482 Env_3ln1_21 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 21 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 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 63 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 3 0 0 0 0 0 0 0 0 3 0 0 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 73 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 3 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 3 4 1 0 0 0 0 3 0 0 1 0 0 -0.5065 12 8 0 3 1 0 0 0 0 3 1 9 322.094 0 0 0 0 0 10 577 0 0 0 0 0 0 0 0 0 2 1 0 5 0 0 0 0 0 4 0 0 0 8 0 4 0 8 4 0 0 0 0 12 0 0 0 0 0 0 0 0 12 0 0 0 0 2 11 4 4 1 0 0 2 0 1 0 0 0 -5.061 25 17 5 3 0 0 1 4.5 0.5 2 4 10 656.894 0.333 0 0.333 0.333 5 39 985 0 1 0 0 0 0 0 0 0 2 7 4 3 2 0 1 1 0 4 0 0 0 14 5 6 0 14 6 5 0 0 0 22 0 0 0 0 2 1 0 0 22 2 1 0 0 3 16 7 3 1 0 0 1 0 3 0 0 0 -3.7084 34 26 4 4 0 0 3 3 1 1 8 7 910.546 0.333 0 0.333 0.333 10 84 1391 0 6 0 0 0 0 0 0 0 2 10 0 0 2 0 3 3 0 8 0 0 0 14 6 14 0 14 14 6 0 0 0 25 0 0 0 0 2 7 0 0 25 2 7 0 0 # 37.604 -17.63 -21.945 # VAL 85 Env_3ln1_22 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 0 0 0 0 0 1 0 0 0 0 1 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 0 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 0 0 0 0 0 4 0 0 0 0 4 0 0 0 2 1 0 1 0 0 0 2 1 0 0 0 0 -1.265 7 3 1 3 0 0 0 1 0 2.5 0 4 151.792 0.333 0.333 0 0.333 -3 10 68 1 0 0 1 0 1 0 0 0 3 0 0 0 1 0 0 0 0 0 0 0 0 5 1 1 0 5 1 0 1 0 0 0 0 0 0 1 4 2 0 0 0 5 2 0 0 2 5 4 1 0 0 0 1 1 0 0 0 0 -1.2735 14 11 1 2 0 0 0 1 0 1.5 4 3 358.91 0.666 0.666 0 0.666 4 30 270 2 0 0 3 0 4 0 0 0 0 0 0 0 5 0 0 0 0 0 0 0 0 7 3 4 0 7 4 0 3 0 0 0 0 0 0 4 5 5 0 0 0 9 5 0 0 3 15 2 5 1 0 0 4 0 1 0 0 0 -4.1392 31 20 6 5 0 0 1 5 1 4 2 16 810.619 0 0 0 0 0 30 814 3 5 0 3 0 2 0 1 0 0 3 0 0 5 3 2 0 0 0 4 0 0 18 8 4 1 18 5 5 3 0 0 3 0 3 0 6 10 9 0 0 3 19 9 0 0 6 13 4 5 1 0 2 5 0 0 0 0 0 -3.5805 36 23 8 5 0 0 0 5.5 0.5 5 2 20 924.679 0.666 0 0.666 0.666 -2.5 37 890 3 5 0 3 0 2 0 3 0 0 6 0 0 2 4 2 0 0 0 2 0 4 17 8 4 7 17 7 5 3 4 2 10 0 5 0 6 5 8 0 0 12 16 8 0 0 # 22.707 -26.288 -15.199 # ILE 486 Env_3ln1_23 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 27 126 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 5 0 0 0 1 0 0 0 0 0 0 -1.1786 6 5 1 0 0 0 0 0 1 0 6 0 147.242 0 0 0 0 3 21 123 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 3 2 0 0 0 1 0 5 0 4 2 0 0 0 0 0 0 0 0 2 1 3 0 0 0 3 3 0 0 1 2 4 0 0 0 0 1 0 2 0 0 0 -1.9429 10 7 0 3 0 0 2 0 0 1 5 2 233.549 0 0 0 0 2 32 185 0 0 0 0 0 0 0 0 0 0 0 0 0 2 0 0 0 1 7 0 0 0 2 0 8 0 3 7 0 0 0 0 1 0 0 0 6 2 1 0 0 1 8 1 0 0 3 13 7 2 0 0 0 1 0 0 1 0 2 -2.9539 29 25 2 1 1 0 0 2 0 1 8 6 836.243 0 0 0 0 18 60 280 1 0 0 0 0 0 0 0 0 0 8 0 3 5 0 0 0 2 6 2 0 2 19 0 8 2 21 6 0 0 2 2 14 0 0 0 4 5 4 0 0 16 9 4 0 0 3 13 4 1 0 0 0 3 0 0 0 0 1 -1.7261 25 21 1 3 0 0 0 1 0 3 4 9 724.373 0 0 0 0 11.5 33 292 3 0 0 0 0 0 0 0 0 3 4 0 1 3 0 0 1 2 2 1 0 5 15 0 5 5 17 3 0 0 5 2 11 0 0 0 0 5 7 0 0 13 5 7 0 0 # 28.8783 -28.5612 -10.876 # TRP 356 Env_3ln1_24 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 3 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 9 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 3 0 1 0 0 0 2 0 0 0 0 0 -1.607 8 5 1 2 0 0 0 1 0 2 0 5 204.675 0 0 0 0 0 9 44 0 0 0 0 0 0 1 0 0 0 5 0 0 0 0 0 1 0 1 0 0 0 5 1 2 0 5 2 0 1 0 0 7 0 0 0 1 0 0 0 0 7 1 0 0 0 2 5 0 0 0 0 0 2 0 0 1 0 0 -0.3771 10 7 0 2 1 0 0 0 0 2 0 7 284.079 0 0 0 0 1 8 68 0 0 0 0 0 0 1 0 0 0 2 0 1 3 0 0 2 0 1 0 0 0 6 1 3 0 6 3 0 1 0 0 9 0 0 0 1 0 0 0 0 9 1 0 0 0 4 19 3 5 0 0 1 2 0 0 0 0 0 -2.1184 34 26 6 2 0 0 0 5 1 2 4 15 958.603 0 0 0 0 9 40 315 0 0 4 0 0 0 2 2 0 0 8 0 6 3 0 0 3 1 4 0 0 1 17 2 12 3 18 13 0 2 1 0 28 0 0 0 4 0 2 0 0 28 4 2 0 0 4 7 13 4 0 0 0 6 0 1 0 0 0 -5.5357 35 24 4 7 0 0 1 4 0 6 12 18 845.215 0 0 0 0 2 46 398 0 0 0 0 0 0 2 1 0 0 7 0 1 4 0 2 3 3 8 1 0 3 13 2 16 4 16 14 0 2 3 0 26 0 0 0 3 0 6 0 0 26 3 6 0 0 # 30.632 -23.573 -5.249 # LEU 353 Env_3ln1_25 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 96 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 6 0 0 0 0 6 0 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 -0.3545 2 2 0 0 0 0 0 0 0 0 0 0 67.02 0 0 0 0 2 3 16 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 2 0 0 0 2 0 0 0 0 0 0 0 0 0 0 2 0 0 0 0 2 0 0 0 1 7 3 1 0 0 1 1 0 0 1 0 0 -1.2358 15 11 2 1 1 0 0 1 1 1 4 4 414.432 0 0 0 0 6 35 128 0 0 0 0 0 0 0 0 0 5 0 0 4 2 0 0 0 4 0 0 0 0 11 0 4 0 15 0 0 0 0 0 4 0 0 0 0 7 4 0 0 4 7 4 0 0 2 10 5 4 0 0 0 2 0 0 0 0 0 -3.5442 23 17 4 2 0 0 0 4 0 2 5 10 602.377 0 0 0 0 6 33 296 1 0 0 0 0 0 0 2 0 2 4 0 2 2 0 0 0 5 0 5 0 0 16 0 5 2 21 2 0 0 0 0 8 0 2 0 0 8 5 0 0 8 10 5 0 0 5 11 2 2 0 0 0 5 0 0 0 0 0 -2.0184 25 18 2 5 0 0 0 2 0 5 2 15 662.015 0 0 0 0 1 26 280 5 0 0 0 0 2 0 2 0 0 6 0 2 2 0 0 0 1 0 5 0 0 20 0 3 2 21 4 0 0 0 1 11 0 2 0 2 5 4 0 0 12 9 4 0 0 # 26.201 -25.0282 -12.5258 # PHE 487