# EXCLUDED_RESIDUES HETATM # PDBID_LIST 3krj # POINT_FILE ../DUDE/pocket_res_ptf_dude_crys/3krj_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_3krj_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 10 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 1 0 0 0 3 0 1 0 0 0 0 0 0 0 0 0 -1.1414 4 3 1 0 0 0 0 1 0 0 0 2 114.667 0 0 0 0 1 4 40 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 4 0 0 4 0 0 0 4 0 0 0 0 0 0 0 0 0 0 0 4 0 0 0 0 4 0 0 2 0 0 1 0 0 0 1 0 0 0 0 0 0.2109 4 2 1 1 0 0 0 1 0 1 0 4 92.651 0 0 0 0 -2 0 34 0 0 1 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 2 0 0 3 0 1 0 3 1 0 0 0 0 0 0 1 0 0 0 3 0 0 0 1 3 0 0 1 4 2 1 0 0 0 2 1 0 0 0 0 -2.1303 11 7 1 3 0 0 0 1 0 2.5 2 7 271.854 0.333 0.333 0 0.333 -1 14 146 0 0 1 0 0 0 1 2 0 4 0 1 0 2 0 0 0 0 0 0 0 0 6 2 1 2 6 3 1 1 0 0 0 0 2 4 0 0 5 0 0 0 6 5 0 0 5 15 2 4 0 0 0 3 0 1 0 1 0 -2.4066 31 22 4 4 1 0 1.5 4 0 3 2 14 845.019 0.333 0.333 0 0.333 4 37 641 0 0 3 1 1 0 7 1 0 5 2 5 1 2 0 0 3 0 0 0 0 0 10 13 7 1 10 8 5 8 0 0 1 0 3 19 0 0 8 0 0 1 22 8 0 0 4 12 4 5 0 1 0 6 1 0 1 0 0 -6.3578 34 20 6 7 1 0 0 5 1 6.5 4 16 847.48 1.333 0.333 1 1.333 -1 54 537 0 0 6 3 1 0 1 1 0 4 6 3 1 2 0 0 3 2 1 0 0 0 13 7 13 1 15 12 3 4 0 1 1 0 2 15 2 0 13 0 0 2 19 13 0 0 # 14.757 25.269 6.868 # VAL 647 Env_3krj_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 80 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 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 2 240 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 3 0 0 0 0 0 0 3 0 0 0 2 3 0 1 0 0 0 2 0 0 0 0 0 -1.5002 8 5 1 2 0 0 0 1 0 2 0 5 204.675 0 0 0 0 0 8 445 0 0 0 0 0 0 0 1 0 0 4 0 0 0 0 0 1 0 0 2 0 0 6 0 1 1 6 2 0 0 0 0 0 0 0 8 0 0 0 0 0 0 8 0 0 0 1 5 0 2 0 0 0 2 0 0 0 0 0 -1.664 10 6 2 2 0 0 0 2 0 2 0 8 252.322 0 0 0 0 -2 3 427 0 0 0 0 0 0 1 1 0 0 0 1 0 0 0 0 2 0 0 5 0 0 5 2 2 1 5 3 1 1 0 0 0 0 0 10 0 0 0 0 0 0 10 0 0 0 3 8 0 2 0 0 0 2 0 0 0 0 0 0.0248 15 11 2 2 0 0 0 2 0 2 0 9 419.872 0 0 0 0 1 7 565 2 0 0 0 0 0 2 2 0 0 0 1 0 0 0 0 3 0 0 5 0 0 7 3 3 2 7 5 1 2 0 1 0 0 0 14 0 0 0 0 0 1 14 0 0 0 4 7 2 2 0 0 0 3 1 1 0 0 0 -2.6017 20 13 2 5 0 0 1 2 0 3.5 2 11 502.771 0.666 0.666 0 0.666 -1 23 925 5 0 0 0 0 0 5 0 0 0 0 3 0 0 0 0 1 0 2 4 0 0 9 8 3 0 9 3 3 5 0 3 0 0 0 15 0 0 2 0 0 3 15 2 0 0 # 3.006 28.146 8.847 # LEU 588 Env_3krj_2 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 10 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 1 0 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 30 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 3 0 0 0 0 0 0 3 0 0 0 1 0 0 2 0 0 0 2 0 0 0 0 0 -1.4705 5 1 2 2 0 0 0 2 0 2 0 5 84.772 0 0 0 0 -4 0 86 1 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 3 0 0 0 0 0 1 1 3 0 1 3 0 1 0 0 0 0 0 5 0 0 0 0 0 0 5 0 0 0 3 7 0 1 0 0 0 4 0 0 0 0 0 -1.4875 15 10 1 4 0 0 0 1 0 4 0 11 395.213 0 0 0 0 -1 8 224 4 0 1 0 0 0 3 0 0 3 0 2 0 0 0 0 0 0 0 2 0 0 9 5 1 0 9 1 2 3 0 0 0 0 0 13 0 0 2 0 0 0 13 2 0 0 5 11 0 4 0 0 0 1 0 0 0 0 0 0.1462 21 16 4 1 0 0 0 4 0 1 0 13 604.202 0 0 0 0 3 14 299 0 0 1 0 0 0 1 0 0 3 1 2 1 0 0 0 0 0 2 10 0 0 15 3 3 0 15 3 2 1 0 0 1 0 0 14 0 0 6 0 0 1 14 6 0 0 3 24 2 3 0 1 0 2 1 0 1 0 0 -3.9408 37 29 4 3 1 0 0 3 1 2.5 2 13 1084.45 1.666 0.666 1 1.666 14 56 747 0 0 2 0 0 0 3 0 0 1 10 3 1 2 0 0 0 0 2 13 0 0 27 6 4 0 27 4 3 3 0 0 1 0 0 28 0 0 8 0 0 1 28 8 0 0 # 10.328 22.193 8.378 # THR 663 Env_3krj_3 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 8 249 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 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 -0.204 1 1 0 0 0 0 0 0 0 0 0 0 33.51 0 0 0 0 1 1 83 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 1 0 0 0 0 0 0 0 0 1 0 0 0 0 0 1 0 1 0 0 0 0 1 0 0 0 0 -1.2028 3 1 1 1 0 0 0 1 0 0.5 0 2 61.784 0.333 0.333 0 0.333 -2 3 181 0 0 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 2 0 0 2 0 1 0 0 2 0 1 0 0 0 0 0 0 2 1 0 0 0 3 0 0 1 0 0 0 1 1 0 0 0 0 0.2088 6 3 1 2 0 0 0 1 0 1.5 0 4 127.367 0.666 0.666 0 0.666 -3 5 250 0 0 2 2 0 0 0 0 0 0 1 0 0 1 0 0 0 0 0 0 0 0 2 2 2 0 2 2 0 2 0 0 4 0 2 0 0 0 0 0 0 4 2 0 0 0 1 7 0 2 3 0 0 2 0 0 0 0 0 -4.2976 15 8 5 2 0 0 0 3.5 1.5 2 0 7 392.629 0.999 0 0.999 0.999 -3 28 545 0 4 0 5 0 0 0 0 0 0 6 0 0 0 0 0 0 0 0 0 0 0 6 9 0 0 6 0 4 5 0 0 8 0 5 0 0 2 0 0 0 8 7 0 0 0 3 10 2 3 1 0 0 1 0 0 0 0 0 0.4669 20 15 4 1 0 0 0 3 1 1 0 11 551.272 0.666 0 0.666 0.666 0 26 1319 0 9 0 0 0 0 0 2 0 0 6 0 0 3 0 0 0 0 0 0 0 0 9 9 0 2 9 2 9 0 0 0 15 0 0 0 2 1 2 0 0 15 3 2 0 0 # 6.284 38.6793 5.251 # ASN 673 Env_3krj_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 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 1 0 0 0 0 0 0 1 2 0 0 0 0 -1.4139 4 1 0 3 0 0 0 0 0 2 0 1 60.347 0.999 0.999 0 0.999 -3 11 82 0 0 0 1 0 0 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 4 0 0 0 0 0 4 0 0 3 0 0 0 0 0 1 0 0 3 0 1 0 0 1 4 0 0 0 0 0 0 0 1 0 0 0 0.2308 6 5 0 1 0 0 1 0 0 0 0 1 184.707 0 0 0 0 3 12 73 0 0 0 1 0 0 0 0 0 0 2 2 0 0 0 0 0 0 1 0 0 0 2 3 1 0 2 1 2 1 0 2 0 0 0 2 0 0 2 0 0 2 2 2 0 0 3 13 1 4 0 0 0 0 1 0 1 0 0 -2.9616 23 17 4 1 1 0 0 4 0 0.5 2 9 634.025 0.666 0.666 0 0.666 6 34 358 0 0 0 5 0 0 2 1 0 0 5 1 1 4 0 0 1 0 1 2 0 0 12 8 2 1 12 3 1 7 0 5 4 0 0 4 0 0 10 0 0 9 4 10 0 0 5 10 4 3 0 0 0 5 1 1 0 0 0 -2.7963 29 19 3 7 0 0 1 3 0 5.5 4 15 733.967 0.333 0.333 0 0.333 1 34 499 1 0 0 1 0 0 2 4 0 0 2 4 3 4 0 0 2 0 2 4 0 0 14 7 4 4 14 8 4 3 0 5 5 0 0 11 0 0 8 0 0 10 11 8 0 0 # 8.809 21.851 1.823 # LYS 616 Env_3krj_5 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 27 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 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 81 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 3 0 0 0 0 0 0 3 0 0 0 2 3 0 1 0 0 0 1 0 0 0 0 0 -0.7361 7 5 1 1 0 0 0 1 0 1 0 4 193.181 0 0 0 0 0 7 117 0 0 0 0 1 0 0 0 0 0 5 0 0 0 0 0 0 0 0 1 0 0 6 0 1 0 6 1 0 0 0 0 0 0 0 6 0 0 1 0 0 0 6 1 0 0 3 5 2 0 0 0 0 4 0 0 0 1 0 -1.3834 15 10 0 4 1 0 0.5 0 0 4 2 10 393.619 0 0 0 0 -1 14 206 0 0 0 1 1 0 0 2 0 0 3 3 0 2 0 0 0 0 0 3 0 0 8 4 1 2 8 3 3 1 0 0 0 0 1 8 0 0 6 0 0 0 9 6 0 0 4 11 3 8 0 0 0 3 0 0 0 0 0 -2.9374 29 18 8 3 0 0 0 8 0 3 3 18 729.791 0 0 0 0 0 23 371 1 0 2 3 4 0 0 2 0 1 3 4 0 3 0 0 1 0 0 5 0 0 13 7 7 2 13 9 4 3 0 2 1 0 3 13 0 0 10 0 0 3 16 10 0 0 5 17 1 5 0 0 0 8 0 1 0 0 0 -6.0108 37 23 5 9 0 0 1 5 0 8 1 25 924.662 0.333 0.333 0 0.333 -7 25 938 5 1 1 2 1 0 1 2 0 3 4 1 0 1 0 0 4 0 6 5 0 0 18 5 12 2 18 14 2 3 0 3 2 0 2 17 5 0 8 0 0 5 24 8 0 0 # 13.256 30.986 8.048 # LEU 785 Env_3krj_6 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 73 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 0 0 0 3 0 0 0 0 0 0 0 0 -2.2547 3 0 3 0 0 0 0 1 2 0 0 0 69.437 0.666 0 0.666 0.666 -3 16 219 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 0 3 0 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 0.0485 1 1 0 0 0 0 0 0 0 0 0 0 33.51 0 0 0 0 0 3 73 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 1 4 0 0 0 0 0 1 1 0 0 0 0 -0.5839 7 5 0 2 0 0 0 0 0 1.5 0 1 180.25 0.666 0.666 0 0.666 2 10 215 0 4 0 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 7 0 0 0 0 4 3 0 2 0 0 3 0 0 2 0 0 0 2 5 0 0 0 2 6 1 2 0 0 0 2 1 0 0 0 0 -2.655 14 9 2 3 0 0 0 2 0 2.5 1 7 370.292 0.333 0.333 0 0.333 -1 16 442 3 6 1 1 0 0 0 0 0 0 0 0 0 3 0 0 0 0 0 0 0 0 6 7 1 0 6 1 6 1 0 7 1 0 1 0 0 2 3 0 0 8 3 3 0 0 6 7 2 7 1 0 0 4 1 0 0 0 0 -3.8142 28 15 8 5 0 0 0 7 1 4.5 2 17 636.519 0.333 0.333 0 0.333 -8 30 798 4 3 6 5 0 0 0 1 0 0 4 0 0 5 0 0 0 0 0 0 0 0 13 8 6 1 13 7 3 5 0 11 4 0 3 2 0 1 7 0 0 15 6 7 0 0 # 6.377 33.204 2.228 # ARG 801 Env_3krj_7 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 45 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 15 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 2 1 0 3 1 0 0 1 0 0 0 0 0 -2.0079 8 3 4 1 0 0 0 3.5 0.5 1 0 5 176.225 0.333 0 0.333 0.333 -5 11 382 0 1 3 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 5 3 0 0 3 1 4 0 0 3 0 4 0 0 1 0 0 0 3 5 0 0 0 3 6 1 2 1 0 0 4 0 0 0 0 0 -2.0801 17 10 3 4 0 0 0 2.5 0.5 4 0 12 420.848 0.666 0 0.666 0.666 -5 16 531 1 4 3 0 0 0 0 1 0 0 7 0 0 0 0 0 0 0 0 1 0 0 9 4 3 1 9 4 4 0 0 3 10 0 0 1 0 2 1 0 0 13 3 1 0 0 4 6 0 2 1 0 0 3 0 0 0 0 0 -1.078 16 10 3 3 0 0 0 2 1 3 0 10 418.435 0 0 0 0 -1 14 377 1 4 1 0 0 0 0 2 0 0 6 0 0 1 0 0 0 0 0 1 0 0 9 4 1 2 9 3 4 0 0 4 7 0 0 2 0 1 2 0 0 11 3 2 0 0 1 13 2 4 0 0 0 2 0 0 0 0 0 -2.5357 22 16 4 2 0 0 0 4 0 2 2 12 601.718 0 0 0 0 3 22 572 2 2 4 0 0 0 0 1 0 0 6 0 0 4 0 0 0 0 1 2 0 0 14 2 5 1 14 6 2 0 0 6 5 0 0 6 1 1 3 0 0 11 8 3 0 0 # 8.80633 36.0147 4.76333 # ASP 670 Env_3krj_8 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 47 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 0 0 0 1 0 0 0 0 0 1 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 47 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 0 0 0 1 0 0 0 0 0 1 0 0 0 1 1 2 4 0 0 0 0 0 0 0 0 0 -1.9719 8 4 4 0 0 0 0 4 0 0 2 5 186.902 0 0 0 0 -2 10 706 0 0 2 0 3 0 0 0 0 0 0 0 0 0 0 0 0 0 3 0 0 0 0 0 8 0 0 8 0 0 0 2 0 0 0 0 6 0 0 0 0 2 6 0 0 0 4 5 3 0 0 0 0 4 0 2 0 0 0 -1.9715 18 12 0 6 0 0 2 0 0 4 4 8 429.639 0 0 0 0 -1 29 1375 0 0 4 0 2 0 0 0 0 0 1 0 0 0 0 0 4 0 7 0 0 0 1 0 17 0 1 17 0 0 0 4 0 0 0 5 8 0 1 0 0 4 13 1 0 0 3 2 2 3 0 0 0 2 0 0 0 0 0 -0.629 12 7 3 2 0 0 0 3 0 2 2 9 285.991 0 0 0 0 -3 8 607 0 0 1 0 2 0 0 2 0 0 1 0 0 0 0 0 2 0 4 0 0 0 1 0 9 2 1 11 0 0 0 2 0 0 0 3 1 0 6 0 0 2 4 6 0 0 3 6 2 2 0 0 2 2 0 1 0 0 0 -2.2802 18 11 4 3 0 0 1 3 1 2 5 9 438.894 0 0 0 1 -4 28 1057 0 0 1 0 2 0 0 2 5 0 2 0 0 0 0 0 1 0 5 0 0 0 2 0 14 2 2 11 5 0 0 8 0 0 0 3 1 0 6 0 0 8 4 6 0 0 # 12.349 32.752 17.097 # CYS 667 Env_3krj_9 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 32 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 0 224 0 0 0 1 0 0 0 3 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 1 1 3 0 4 0 1 0 0 0 0 1 0 1 0 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 0 113 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 0 0 0 2 5 0 2 0 0 0 4 0 0 0 0 0 -1.6387 13 7 2 4 0 0 0 2 0 4 0 10 308.82 0 0 0 0 -3 4 529 0 0 0 4 3 0 0 0 0 0 3 0 0 0 0 0 0 0 3 0 0 0 3 4 6 0 3 6 0 4 0 0 0 0 4 3 5 0 1 0 0 0 12 1 0 0 4 9 1 2 0 0 0 0 1 0 0 0 0 -0.2713 17 14 2 1 0 0 0 2 0 0.5 1 9 485.689 0.666 0.666 0 0.666 2 16 399 0 0 0 2 5 0 0 0 0 0 9 0 0 0 0 0 0 0 1 0 0 0 9 2 6 0 9 6 0 2 0 0 1 0 2 8 3 0 3 0 0 1 13 3 0 0 3 8 5 5 0 0 0 2 1 1 0 1 0 -4.9974 26 16 5 4 1 0 1.5 5 0 2.5 6 10 631.191 0.333 0.333 0 0.333 -1 44 1045 0 0 3 1 3 0 0 0 0 0 5 0 0 5 0 0 2 0 5 2 0 0 12 1 13 0 12 13 0 1 0 0 9 0 1 8 3 0 5 0 0 9 12 5 0 0 # 9.322 34.23 10.247 # GLY 669 Env_3krj_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 99 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 33 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 1 1 1 0 0 0 0 0 0 1 0 0 0 -0.4133 4 3 0 1 0 0 1 0 0 0 2 0 97.767 0 0 0 0 1 16 261 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 3 0 0 0 0 1 3 0 0 3 0 1 0 0 0 0 0 1 0 0 3 0 0 0 1 3 0 0 1 4 2 1 0 1 0 0 0 0 0 0 0 -0.6926 9 7 2 0 0 0 0 1 1 0 2 3 268.239 1 0 1 1 3 21 546 1 0 0 0 0 0 2 0 0 0 0 4 0 0 0 0 0 0 2 0 0 0 1 6 2 0 1 2 4 2 0 0 0 0 0 7 0 0 2 0 0 0 7 2 0 0 1 8 2 2 0 0 0 4 0 0 0 0 0 -3.4764 17 11 2 4 0 0 0 2 0 4 2 9 422.94 0 0 0 0 2 16 1208 3 0 0 0 0 0 2 0 0 0 3 5 0 0 0 0 0 0 3 1 0 0 7 7 3 0 7 3 5 2 0 0 0 0 0 14 0 0 3 0 0 0 14 3 0 0 5 8 0 5 0 0 0 2 0 1 0 0 0 -1.2597 21 13 5 3 0 0 1 5 0 2 0 16 546.46 0 0 0 0 -4 9 1285 2 0 0 0 0 0 0 3 0 0 1 7 0 0 0 0 2 0 1 5 0 0 8 7 3 3 8 6 7 0 0 0 0 0 0 20 0 0 1 0 0 0 20 1 0 0 # 3.835 27.6543 16.232 # GLU 598 Env_3krj_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 13 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 -0.2047 5 2 2 1 0 0 0 2 0 1 0 5 106.788 0 0 0 0 -3 0 166 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 0 0 0 5 0 0 0 0 0 0 5 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 0 100 1 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 2 0 0 0 2 0 0 0 0 1 0 0 0 1 0 0 0 0 0 1 1 0 0 0 3 8 0 2 0 0 0 3 0 0 0 0 0 -1.7658 16 11 2 3 0 0 0 2 0 3 0 11 431.366 0 0 0 0 0 7 773 7 0 0 0 0 0 0 0 0 0 3 0 0 0 0 0 3 0 0 3 0 0 13 0 3 0 13 3 0 0 0 3 0 0 0 13 0 0 0 0 0 3 13 0 0 0 3 8 0 3 0 0 0 1 0 0 0 0 0 0.5592 15 11 3 1 0 0 0 3 0 1 0 11 422.515 0 0 0 0 -1 5 684 1 2 0 0 0 0 0 1 0 0 3 3 0 0 0 0 2 0 0 3 0 0 7 5 2 1 7 3 5 0 0 3 0 0 0 9 0 2 1 0 0 3 11 1 0 0 2 10 0 4 1 0 0 4 0 1 0 0 0 -5.4154 22 12 5 5 0 0 1 4.5 0.5 4 0 12 546.23 0.333 0 0.333 0.333 -3 27 1187 0 6 0 1 0 0 0 3 0 0 2 4 0 1 0 0 2 0 0 3 0 0 6 11 2 3 6 5 10 1 0 0 0 0 0 13 0 6 3 0 0 0 19 3 0 0 # 0.778 28.728 4.986 # GLY 589 Env_3krj_12 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 20 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 1 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 -0.3819 2 1 1 0 0 0 0 1 0 0 0 2 47.647 0 0 0 0 -1 0 40 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 2 0 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 -0.6085 6 3 1 2 0 0 0 1 0 2 0 5 137.655 0 0 0 0 -2 2 164 2 1 0 0 0 0 0 0 0 0 1 0 0 1 0 0 0 0 0 1 0 0 5 1 0 0 5 0 1 0 0 3 0 0 0 1 0 1 1 0 0 3 2 1 0 0 2 6 0 4 0 0 0 2 0 0 0 0 0 -1.6412 14 8 4 2 0 0 0 4 0 2 0 11 347.616 0 0 0 0 -3 4 351 1 2 0 0 0 0 0 4 0 0 3 0 0 2 0 0 0 0 0 2 0 0 8 2 0 4 8 4 2 0 0 3 0 0 0 7 0 2 2 0 0 3 9 2 0 0 6 11 2 1 1 0 0 5 0 0 0 0 0 0.0055 26 19 2 5 0 0 0 1 1 5 1 18 703.014 0.333 0 0.333 0.333 -2 19 1239 3 6 0 0 0 0 0 4 0 0 5 2 0 2 0 0 0 0 0 4 0 0 14 8 0 4 14 4 8 0 0 5 0 0 0 13 0 6 2 0 0 5 19 2 0 0 2 9 2 6 2 0 0 3 0 0 0 0 0 -5.8364 24 13 8 3 0 0 0 7 1 3 2 12 589.814 0.666 0 0.666 0.666 -1 35 920 1 2 0 3 0 0 0 4 0 0 6 4 0 3 0 0 0 0 0 1 0 0 11 9 0 4 11 4 6 3 0 3 0 0 0 11 0 2 8 0 0 3 13 8 0 0 # 4.222 27.68 3.426 # ALA 800 Env_3krj_13 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 11 141 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 47 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 2 0 2 0 1 0 0 0 0 0 0 0 -1.8679 5 2 3 0 0 0 0 2 1 0 0 1 139.096 1 0 1 1 1 10 90 0 0 3 0 0 0 1 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 2 3 0 0 3 1 1 0 0 0 0 0 2 0 0 3 0 0 0 2 3 0 0 3 6 0 1 0 0 0 2 0 0 0 0 0 -0.2523 12 9 1 2 0 0 0 1 0 2 0 8 325.784 0 0 0 0 -2 12 236 0 0 4 0 0 0 2 0 0 1 1 2 0 0 0 0 0 0 0 2 0 0 4 4 4 0 4 4 2 2 0 0 0 0 1 5 0 0 6 0 0 0 6 6 0 0 3 5 0 3 0 0 0 5 0 0 0 1 0 -2.7814 17 8 3 5 1 0 0.5 3 0 5 0 10 394.482 0 0 0 0 -4 15 527 0 0 1 0 1 0 3 0 1 1 3 1 0 0 0 0 1 0 1 4 0 0 8 4 5 0 8 4 2 3 0 0 0 0 1 7 1 0 8 0 0 0 9 8 0 0 4 16 0 4 0 0 0 4 0 1 0 0 0 -2.5195 29 20 4 5 0 0 1 4 0 4 0 17 789.881 0 0 0 0 -1 20 1261 0 0 0 0 0 3 3 0 2 4 6 1 0 0 0 0 6 0 3 1 0 0 11 4 14 0 11 12 3 3 0 0 0 0 4 13 3 0 9 0 0 0 20 9 0 0 # 17.0277 23.6863 12.1317 # GLU 664 Env_3krj_14 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 4 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 1 0 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 16 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 4 0 0 0 0 0 0 0 0 0 4 0 0 0 0 1 2 0 1 0 0 0 1 0 0 0 0 0 -1.2103 5 3 1 1 0 0 0 1 0 1 0 3 126.161 0 0 0 0 0 6 49 1 0 0 0 0 0 0 1 0 0 3 0 0 0 0 0 0 0 0 0 0 0 4 0 0 1 4 1 0 0 0 5 0 0 0 0 0 0 0 0 0 5 0 0 0 0 1 3 0 2 0 1 0 3 0 1 0 0 0 -2.8403 11 4 3 4 0 0 1 2 1 3 0 8 247.463 1 0 1 1 -6 15 314 1 0 0 0 0 0 0 3 0 0 0 4 0 2 0 0 0 0 1 0 0 0 3 4 1 3 3 4 4 0 0 4 0 0 0 4 0 0 3 0 0 4 4 3 0 0 4 11 2 4 0 0 0 3 0 0 0 0 0 -2.3224 24 17 4 3 0 0 0 4 0 3 3 15 633.791 0 0 0 0 1 22 508 2 1 0 1 0 0 0 4 0 0 0 6 2 1 0 0 0 0 3 4 0 0 9 8 3 4 9 7 7 1 0 2 0 0 0 16 0 1 5 0 0 2 17 5 0 0 8 14 5 6 0 0 0 4 2 0 0 0 0 -3.1951 39 27 6 6 0 0 0 6 0 5 5 23 1004.08 0.999 0.999 0 0.999 1 38 1147 4 5 0 2 0 0 2 4 0 0 4 3 2 9 0 0 0 0 3 1 0 0 20 12 3 4 20 7 8 4 0 1 3 0 0 14 0 12 9 0 0 4 26 9 0 0 # 4.725 23.331 0.749 # LEU 799 Env_3krj_15 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 9 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 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 -0.123 1 1 0 0 0 0 0 0 0 0 0 0 33.51 0 0 0 0 0 1 9 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 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 0.2028 3 2 1 0 0 0 0 1 0 0 0 3 81.157 0 0 0 0 -1 0 94 0 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 1 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 12 0 2 0 0 0 4 0 1 0 0 0 -2.4513 22 15 2 5 0 0 1 2 0 4 0 11 594.057 0 0 0 0 2 20 621 0 0 0 0 2 0 3 0 0 0 5 3 0 0 0 0 5 0 3 1 0 0 6 6 10 0 6 10 3 3 0 0 0 0 0 16 0 0 6 0 0 0 16 6 0 0 3 11 0 4 0 1 0 3 1 0 0 0 0 -3.3637 23 14 5 4 0 0 0 4 1 3.5 0 14 594.886 1.666 0.666 1 1.666 -3 25 616 0 0 0 0 1 0 4 0 0 0 7 5 0 0 0 0 1 0 1 4 0 0 11 9 3 0 11 3 5 4 0 0 0 0 0 18 1 0 4 0 0 0 19 4 0 0 9 4 6 6 0 0 0 4 1 0 0 0 0 -1.2399 30 19 6 5 0 0 0 6 0 4.5 6 21 733.749 0.333 0.333 0 0.333 -4 27 1042 1 0 2 0 3 0 2 4 0 2 1 1 0 3 0 0 3 0 4 4 0 0 11 3 12 4 11 16 1 2 0 1 0 0 2 10 4 0 13 0 0 1 16 13 0 0 # 13.737 28.539 10.906 # CYS 666 Env_3krj_16 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 12 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 1 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 3 0 0 0 0 0 0 0 0 -2.2547 3 0 3 0 0 0 0 1 2 0 0 0 69.437 0.666 0 0.666 0.666 -3 16 36 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 0 3 0 0 3 0 0 0 0 0 0 0 0 0 3 0 0 0 0 0 3 0 0 0 0 0 0 0 1 0 0 0 -0.6529 4 3 0 1 0 0 1 0 0 0 0 0 117.687 0 0 0 0 1 12 33 1 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 2 1 0 1 1 2 0 0 2 0 0 0 0 0 2 0 0 0 2 2 0 0 0 2 3 8 0 0 0 0 0 1 0 0 0 0 -0.9062 14 13 0 1 0 0 0 0 0 0.5 9 0 356.109 0.666 0.666 0 0.666 9 48 98 0 1 1 2 0 0 0 0 0 0 0 0 0 0 1 0 0 6 3 0 0 0 1 3 10 0 7 4 1 2 0 7 0 0 0 0 1 3 3 0 0 7 4 3 0 0 7 7 5 6 0 0 1 3 3 0 0 0 0 -4.3717 32 19 7 6 0 0 0 6 1 4.5 6 16 766.877 0.999 0.999 0 0.999 -6 41 313 4 3 8 5 0 0 1 0 0 0 0 0 0 0 2 0 0 4 3 2 0 0 8 9 15 0 12 11 3 6 0 11 1 0 0 0 5 6 9 0 0 12 11 9 0 0 5 11 0 5 0 0 0 5 2 0 0 0 0 -3.7391 28 16 5 7 0 0 0 5 0 6 0 17 666.727 1.332 1.332 0 1.332 -8 25 309 3 1 5 4 0 0 2 0 0 0 2 0 0 0 4 0 0 2 3 2 0 0 11 7 10 0 13 8 1 6 0 8 3 0 0 1 2 4 10 0 0 11 7 10 0 0 # 10.621 34.336 -4.967 # ARG 782 Env_3krj_17 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 17 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 68 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 0 106 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 3 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 7 0 2 0 0 0 3 0 0 0 0 0 -2.699 13 8 2 3 0 0 0 2 0 3 0 10 330.836 0 0 0 0 -2 4 330 2 0 0 0 0 0 0 2 0 0 1 5 0 0 0 0 0 0 0 3 0 0 6 5 0 2 6 2 5 0 0 2 0 0 0 11 0 0 0 0 0 2 11 0 0 0 7 16 0 6 0 0 0 2 0 0 0 0 0 -0.3222 31 23 6 2 0 0 0 6 0 2 0 19 878.54 0 0 0 0 2 24 831 5 0 0 0 0 0 1 2 0 0 9 7 1 0 0 0 0 0 0 6 0 0 21 8 0 2 21 2 7 1 0 6 0 0 0 25 0 0 0 0 0 6 25 0 0 0 3 17 0 4 0 1 0 9 0 1 0 0 0 -7.25 35 20 5 10 0 0 1 4 1 9 0 22 880.861 1 0 1 1 -2 32 1110 5 1 0 0 0 0 1 2 0 0 6 4 4 4 0 0 4 0 0 4 0 0 23 6 4 2 23 6 5 1 0 5 0 0 0 25 0 1 4 0 0 5 26 4 0 0 # 3.99 24.56 6.137 # VAL 596 Env_3krj_18 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 21 180 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 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 60 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 3 8 0 2 0 0 0 5 0 0 0 0 0 -2.8665 18 11 2 5 0 0 0 2 0 5 0 13 454.354 0 0 0 0 -3 13 233 0 1 4 4 0 0 0 4 0 0 3 0 0 1 0 0 0 0 0 1 0 0 5 5 4 4 5 8 1 4 0 5 0 0 0 3 0 0 10 0 0 5 3 10 0 0 5 7 0 4 0 0 0 3 0 0 0 0 0 -0.6534 19 12 4 3 0 0 0 4 0 3 0 13 480.219 0 0 0 0 -2 8 231 0 1 3 1 0 0 0 1 0 1 3 1 0 2 0 0 0 0 0 6 0 0 12 3 3 1 12 4 2 1 0 5 0 0 0 9 0 0 5 0 0 5 9 5 0 0 3 9 1 3 2 1 1 1 1 0 0 1 0 -2.9053 23 13 7 2 1 0 0.5 4 3 1.5 1 10 613.72 2.332 0.666 1.666 2.832 -4 39 429 1 4 1 4 1 0 0 1 1 4 1 2 0 0 0 0 0 0 0 3 0 0 9 10 3 1 9 3 7 4 0 4 0 0 2 8 0 3 6 0 0 4 13 6 0 0 # 11.311 28.4473 3.90933 # PHE 797 Env_3krj_19 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 0 0 0 0 0 0 0.6136 3 3 0 0 0 0 0 0 0 0 0 2 100.53 0 0 0 0 1 2 62 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 0 0 0 0 0 0 3 0 0 0 0 3 0 0 0 3 1 4 0 0 1 2 1 0 0 0 0 -4.1295 12 4 5 3 0 0 0 4 1 2.5 2 7 241.303 0.333 0.333 0 0.333 -7 14 198 0 3 0 3 0 0 0 3 0 0 0 0 0 1 0 0 0 2 0 0 0 0 1 6 2 3 3 3 3 3 0 2 0 0 0 0 0 0 10 0 0 2 0 10 0 0 7 4 4 2 1 1 2 3 0 0 0 0 0 -0.3822 24 15 6 3 0 0 0 3 3 3 6 10 592.859 1.333 0.333 1 2.333 -3 41 311 0 3 4 2 0 1 0 2 4 0 0 1 0 2 0 0 0 4 0 1 0 0 3 6 13 2 7 7 8 2 0 5 0 0 0 1 0 0 18 0 0 5 1 18 0 0 5 11 10 4 2 0 0 5 3 2 0 0 0 -6.9532 42 26 6 10 0 0 2 5 1 6.5 9 19 1010.21 2.331 1.332 0.999 2.331 -4 80 800 0 5 1 5 0 2 4 3 4 0 1 0 0 6 0 0 0 4 3 4 0 0 11 14 14 3 15 9 9 9 0 3 4 0 0 0 0 2 33 0 0 7 2 33 0 0 # 11.565 25.2653 -2.49733 # ASP 796 Env_3krj_20 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 9 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 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 18 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 2 0 0 0 0 0 0 2 0 0 0 2 0 0 1 0 0 0 1 0 0 0 0 0 0.2109 4 2 1 1 0 0 0 1 0 1 0 4 92.651 0 0 0 0 -2 0 18 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 2 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 6 1 1 0 0 0 4 0 1 0 0 0 -3.3566 15 9 1 5 0 0 1 1 0 4 1 10 371.871 0 0 0 0 -2 11 527 0 0 0 0 0 0 2 0 0 0 1 0 0 0 0 0 3 0 4 5 0 0 6 2 7 0 6 7 0 2 0 0 0 0 0 11 0 0 4 0 0 0 11 4 0 0 4 17 2 7 0 0 0 1 0 0 0 0 0 -1.2142 31 23 7 1 0 0 0 7 0 1 2 17 861.263 0 0 0 0 5 24 732 0 0 0 0 1 0 5 0 0 0 2 2 0 0 0 0 4 0 3 14 0 0 16 7 8 0 16 8 2 5 0 0 0 0 0 27 0 0 4 0 0 0 27 4 0 0 5 16 1 2 0 0 0 7 0 0 0 0 0 -4.3539 31 22 2 7 0 0 0 2 0 7 2 16 826.032 0 0 0 0 5 32 716 4 0 0 0 0 0 4 0 0 6 2 5 0 0 0 0 0 0 3 7 0 0 19 9 3 0 19 3 5 4 0 0 0 0 0 27 0 0 4 0 0 0 27 4 0 0 # 7.505 24.069 10.221 # ALA 614 Env_3krj_21 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 17 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 1 0 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 85 0 0 0 0 0 0 0 3 0 0 1 0 0 1 0 0 0 0 0 0 0 0 2 0 0 3 2 3 0 0 0 4 0 0 0 0 0 0 1 0 0 4 0 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 30 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 0 0 0 1 0 0 0 0 1 0 0 2 7 0 3 0 0 0 0 1 0 0 0 0 -1.0729 13 9 3 1 0 0 0 3 0 0.5 0 7 358.138 0.333 0.333 0 0.333 1 11 402 1 3 0 2 0 0 0 0 0 1 3 0 0 3 0 0 0 0 0 0 0 0 8 5 0 0 8 0 3 2 0 5 0 0 0 0 0 3 5 0 0 5 3 5 0 0 3 9 2 0 1 0 0 4 2 1 0 0 0 -3.5722 22 14 1 7 0 0 1 0 1 5 2 8 548.275 0.999 0.999 0 0.999 -1 39 566 3 5 1 6 0 0 0 0 0 1 3 0 0 1 0 0 0 0 2 0 0 0 8 11 3 0 8 3 5 6 0 8 0 0 0 0 0 5 9 0 0 8 5 9 0 0 4 7 7 4 2 1 0 2 0 1 0 0 0 -4.2408 28 18 7 3 0 0 1 4.5 2.5 2 8 6 682.094 1.999 0.333 1.666 1.999 1 78 615 1 5 2 3 0 2 0 0 0 3 1 2 0 3 0 0 0 0 6 0 0 0 8 10 10 0 8 10 7 3 0 7 0 0 0 2 0 5 14 0 0 7 7 14 0 0 # 6.89 26.773 -1.864 # GLY 798