# EXCLUDED_RESIDUES HETATM # PDBID_LIST 3ccw # POINT_FILE ../DUDE/pocket_res_ptf_dude_crys/3ccw_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_3ccw_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 29 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 -0.2654 5 2 2 1 0 0 0 2 0 1 0 5 106.788 0 0 0 0 -3 0 240 0 0 0 0 1 0 1 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 3 0 4 0 1 0 0 0 0 0 0 4 1 0 0 0 0 5 0 0 0 0 0 0 0 0 0 0 2 0 0 0 0 0 -1.1498 2 0 0 2 0 0 0 0 0 2 0 2 22.988 0 0 0 0 -2 0 120 1 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 1 0 0 1 0 0 0 0 0 0 1 1 0 0 0 0 2 0 0 0 4 7 0 4 0 0 0 2 1 0 0 1 0 -1.5782 19 11 4 3 1 0 0.5 4 0 2.5 0 14 488.804 0.333 0.333 0 0.333 -6 10 801 2 0 0 0 9 0 5 0 0 0 1 0 0 0 0 0 2 0 0 0 0 0 3 5 11 0 3 11 0 5 0 0 1 0 1 0 10 5 2 0 0 1 16 2 0 0 4 4 0 1 0 0 0 1 2 0 0 1 0 -0.3913 13 8 1 3 1 0 0.5 1 0 2 0 6 322.644 1.332 1.332 0 1.332 -4 18 427 1 0 0 0 5 0 4 1 0 0 2 0 0 0 0 0 0 0 0 0 0 0 3 4 5 1 3 6 0 4 0 0 2 0 2 0 5 4 0 0 0 2 11 0 0 0 2 8 0 4 0 0 0 3 1 1 0 0 0 -3.6484 19 10 4 5 0 0 1 4 0 3.5 0 11 457.424 0.333 0.333 0 0.333 -5 15 527 1 0 0 0 2 0 3 3 0 0 2 0 0 0 0 0 6 0 0 2 0 0 5 3 8 3 5 11 0 3 0 0 3 0 2 0 5 3 6 0 0 3 10 6 0 0 # -11.172 0.804 49.081 # GLY 120 Env_3ccw_1 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 5 126 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 1 0 0 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 -0.062 2 2 0 0 0 0 0 0 0 0 0 0 67.02 0 0 0 0 0 7 252 0 0 0 0 0 0 0 0 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 2 0 0 0 0 2 0 0 0 2 0 0 0 0 0 0 0 0 2 0 0 0 0 0 1 0 0 0 0 0 1 0 0 0 0 0 -0.5493 2 1 0 1 0 0 0 0 0 1 0 1 45.004 0 0 0 0 0 2 148 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 1 0 0 0 1 0 0 0 0 1 1 0 0 0 1 4 0 0 0 0 0 0 0 0 0 0 0 0.6707 5 5 0 0 0 0 0 0 0 0 0 2 167.55 0 0 0 0 2 4 214 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 4 0 0 0 0 0 0 1 4 0 0 4 1 0 0 0 1 0 0 0 4 0 0 0 0 1 4 0 0 0 1 1 0 2 0 0 0 2 0 1 0 0 0 -2.1704 7 2 2 3 0 0 1 2 0 2 0 6 135.439 0 0 0 0 -5 2 517 0 0 0 0 0 0 0 0 0 0 0 3 0 0 0 2 2 0 0 0 0 0 0 3 4 0 0 4 3 0 0 0 3 0 0 0 3 0 1 0 0 3 3 1 0 0 1 7 0 2 0 0 0 2 0 0 0 0 0 -1.1932 12 8 2 2 0 0 0 2 0 2 0 7 319.342 0 0 0 0 -2 11 849 0 0 1 0 0 0 0 2 0 0 0 5 1 0 0 3 0 0 0 0 0 0 1 5 4 2 1 6 5 0 0 0 9 0 0 0 1 0 2 0 0 9 1 2 0 0 # -5.022 15.797 56.728 # LYS 643 Env_3ccw_2 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 3 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 1 0 0 0 0 0 2 0 0 0 0 0 1 0 0 0 0 0 -0.6551 3 2 0 1 0 0 0 0 0 1 0 0 78.514 0 0 0 0 -1 10 6 0 0 1 0 0 0 0 0 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 2 1 0 0 1 2 0 0 0 2 0 0 0 0 1 0 0 0 2 1 0 0 0 2 2 0 1 0 0 0 1 0 1 0 0 0 -0.0977 7 4 1 2 0 0 1 1 0 1 0 3 163.897 0 0 0 0 -2 7 27 0 0 2 0 0 0 0 0 0 0 0 1 0 0 0 4 0 0 0 0 0 0 0 1 6 0 0 6 1 0 0 0 1 0 0 0 0 2 4 0 0 1 2 4 0 0 1 8 0 2 0 1 0 2 0 0 0 0 0 -3.0937 14 9 3 2 0 0 0 2 1 2 0 7 396.654 1 0 1 1 1 17 46 3 0 4 0 0 0 0 3 0 0 1 2 0 0 0 1 0 0 0 0 0 0 4 2 5 3 4 8 2 0 0 0 3 0 0 0 0 7 4 0 0 3 7 4 0 0 5 6 0 4 1 0 0 4 0 0 1 1 0 -3.0724 22 11 5 4 2 0 0.5 4.5 0.5 4 0 13 535.674 0.333 0 0.333 0.333 -6 26 140 3 1 6 0 1 0 0 1 0 0 3 4 1 0 0 1 0 0 1 0 0 0 7 5 9 1 7 10 5 0 0 0 9 0 0 2 0 8 3 0 0 9 10 3 0 0 3 16 1 6 1 0 0 5 0 1 0 0 0 -5.9157 33 20 7 6 0 0 1 6 1 5 0 17 847.589 0.333 0 0.333 0.333 -2 38 321 3 2 4 3 2 0 0 2 1 0 3 2 2 0 0 1 1 0 1 6 0 0 14 7 10 2 14 11 5 3 0 0 12 0 0 6 0 8 7 0 0 12 14 7 0 0 # -15.728 13.972 38.333 # LYS 295 Env_3ccw_3 0 0 1 0 0 0 2 0 0 0 0 0 0 -0.6593 3 1 2 0 0 0 0 1 1 0 3 0 61.237 0 0 0 1 -2 11 492 0 0 0 0 0 0 0 0 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 3 0 0 0 3 0 0 0 0 0 0 0 0 0 3 0 0 0 0 3 0 0 0 0 2 0 0 0 0 0 0 0 0 0 0 -0.0338 2 2 0 0 0 0 0 0 0 0 2 0 47.1 0 0 0 0 0 5 328 0 0 0 0 0 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 2 0 0 0 2 0 0 0 0 0 0 0 0 0 2 0 0 0 0 2 0 0 1 1 0 0 0 0 0 0 2 0 0 0 0 -0.8394 4 2 0 2 0 0 0 0 0 1 0 0 82.363 0.999 0.999 0 0.999 -1 12 371 0 0 0 0 0 0 3 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 3 1 0 0 0 1 3 0 0 3 0 0 0 0 0 1 0 0 3 0 1 0 0 0 1 0 1 0 0 0 0 0 0 0 0 0 -0.4737 2 1 1 0 0 0 0 1 0 0 0 2 47.647 0 0 0 0 -1 0 328 0 0 0 0 0 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 2 0 0 0 2 0 0 0 0 0 0 0 0 0 2 0 0 0 0 2 0 0 2 2 0 0 0 0 0 2 0 0 0 0 0 0.1282 6 4 0 2 0 0 0 0 0 2 0 4 157.028 0 0 0 0 0 3 582 0 0 0 0 0 0 2 2 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 2 2 2 0 2 2 2 0 0 2 0 0 0 2 0 2 0 0 2 2 2 0 0 0 5 0 0 0 0 0 1 0 0 0 0 0 -1.1729 6 5 0 1 0 0 0 0 0 1 0 3 179.044 0 0 0 0 2 5 289 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 3 0 0 3 1 1 1 3 2 1 0 0 0 2 0 0 0 1 3 0 0 0 2 4 0 0 0 # -14.2745 14.428 52.857 # HIS 421 Env_3ccw_4 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 15 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 30 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 1 1 0 0 1 0 0 0 0 0 -1.2004 5 2 2 1 0 0 0 1.5 0.5 1 0 3 117.08 0.333 0 0.333 0.333 -3 9 105 0 2 0 0 0 0 0 0 0 0 0 0 2 0 0 1 0 0 0 0 0 0 2 2 1 0 2 1 2 0 0 0 3 0 0 2 0 0 0 0 0 3 2 0 0 0 3 5 1 2 1 0 0 3 0 0 1 0 0 -0.6957 16 9 3 3 1 0 0 2 1 3 0 10 398.515 0.333 0 0.333 0.333 -2 19 891 0 4 4 0 0 0 0 0 0 2 0 1 3 0 0 2 0 0 0 0 0 0 5 5 6 0 5 6 5 0 0 0 12 0 0 4 0 0 0 0 0 12 4 0 0 0 2 12 0 3 1 0 0 3 1 1 0 0 0 -5.2412 23 14 4 5 0 0 1 3.5 0.5 3.5 0 10 588.825 0.666 0.333 0.333 0.666 -2 29 935 0 2 3 0 0 0 1 1 0 4 0 1 7 0 0 0 2 0 0 2 0 0 13 4 5 1 13 6 3 1 0 0 18 0 0 2 0 2 1 0 0 18 4 1 0 0 6 10 0 6 1 0 0 2 0 0 0 0 0 -0.8259 25 16 7 2 0 0 0 6.5 0.5 2 0 14 665.76 0.666 0.333 0.333 0.666 -2 24 813 0 3 1 0 0 0 3 2 0 1 0 2 2 0 0 2 5 0 0 4 0 0 7 8 8 2 7 10 5 3 0 0 12 0 0 5 0 4 4 0 0 12 9 4 0 0 # -8.601 13.533 46.234 # SER 642 Env_3ccw_5 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 11 192 0 0 0 0 0 0 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 3 0 0 0 0 0 3 0 0 0 0 0 0 0 3 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 64 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 1 0 0 0 0 0 0 0 1 0 0 0 0 1 0 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 -0.3293 2 1 1 0 0 0 0 0 1 0 0 0 67.02 1 0 1 1 2 6 70 0 0 0 0 0 0 1 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 2 0 0 0 0 1 1 0 0 0 0 0 0 0 2 0 0 0 0 2 0 0 0 3 1 0 1 0 0 0 2 1 0 0 0 0 -0.793 8 4 1 3 0 0 0 1 0 2.5 0 3 169.732 0.666 0.666 0 0.666 -4 13 248 0 0 3 2 0 0 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 4 3 1 0 4 0 4 0 0 3 0 0 0 1 2 2 0 0 3 3 2 0 0 1 10 0 3 0 0 0 1 1 1 0 0 0 -3.7641 17 11 3 3 0 0 1 3 0 1.5 0 7 453.809 0.333 0.333 0 0.333 0 23 355 0 0 1 2 0 0 2 3 0 0 6 2 0 0 0 0 1 0 0 0 0 0 6 6 2 3 6 5 2 4 0 0 7 0 0 0 3 4 3 0 0 7 7 3 0 0 3 10 2 1 0 0 1 2 1 0 0 0 0 -0.7419 20 15 2 3 0 0 0 1.5 0.5 2.5 3 8 548.129 0.333 0.333 0 0.833 0 29 724 1 0 2 2 4 0 0 0 4 0 1 1 2 0 0 0 3 0 0 0 0 0 4 3 13 0 4 9 5 2 0 1 4 0 0 0 4 5 6 0 0 5 9 6 0 0 # -10.7883 3.73833 43.6823 # GLU 119 Env_3ccw_6 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 45 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 90 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 0 0 1 0 0 0 1 1 0 0 0 0 -0.6078 5 2 1 2 0 0 0 1 0 1.5 0 4 106.788 0.333 0.333 0 0.333 -3 4 148 2 0 0 0 0 0 1 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0 3 1 1 0 3 1 0 1 0 0 4 0 0 0 0 1 0 0 0 4 1 0 0 0 2 5 0 1 0 0 0 2 0 0 0 0 0 -0.1703 10 7 1 2 0 0 0 1 0 2 0 7 258.764 0.333 0.333 0 0.333 -1 6 381 0 0 0 0 3 0 3 0 0 0 0 0 0 0 0 1 0 0 0 3 0 0 3 3 4 0 3 4 0 3 0 0 4 0 0 0 3 3 0 0 0 4 6 0 0 0 4 7 0 5 0 0 0 2 1 0 0 1 0 -2.1745 20 11 5 3 1 0 0.5 5 0 2.5 0 11 490.01 0.333 0.333 0 0.333 -6 17 617 0 0 4 0 3 0 4 0 0 0 4 0 0 0 0 2 1 0 0 2 0 0 6 4 10 0 6 10 0 4 0 0 11 0 0 0 3 6 0 0 0 11 9 0 0 0 5 9 0 4 0 0 0 4 0 1 0 0 0 -3.008 23 14 4 5 0 0 1 4 0 4 0 13 596.474 0 0 0 0 -5 19 679 0 3 9 0 2 0 1 1 0 0 1 0 0 0 0 2 3 0 0 1 0 0 2 4 16 1 2 17 3 1 0 0 15 0 2 0 1 5 0 0 0 15 8 0 0 0 # -19.154 -0.599 50.016 # ALA 124 Env_3ccw_7 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 6 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 1 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 12 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 0 0 2 0 0 0 0 2 0 0 0 2 0 0 0 0 0 0 1 3 0 0 0 0 -1.5024 6 2 0 4 0 0 0 0 0 2.5 0 0 95.063 1.332 1.332 0 1.332 -4 17 168 0 0 2 3 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 4 2 0 0 2 0 4 0 0 2 0 0 0 0 1 3 0 0 2 1 3 0 0 2 5 0 2 0 0 0 0 2 0 0 0 0 -2.2471 11 7 2 2 0 0 0 2 0 1 0 0 285.84 0.999 0.999 0 0.999 1 27 199 1 0 1 2 0 3 2 0 0 0 0 2 0 0 0 0 0 0 0 0 0 0 1 6 4 0 1 4 2 4 0 4 1 0 0 0 0 4 2 0 0 5 4 2 0 0 3 10 0 3 0 0 0 2 1 0 0 0 0 -1.4537 19 13 3 3 0 0 0 3 0 2.5 0 10 502.235 0.666 0.666 0 0.666 0 22 323 4 0 3 4 0 4 2 0 0 0 0 0 2 0 0 0 0 0 0 0 0 0 6 6 7 0 6 7 0 6 0 8 4 0 0 0 0 2 5 0 0 12 2 5 0 0 5 11 1 3 0 0 1 5 0 0 2 0 0 -3.3541 28 17 4 5 2 0 0 3.5 0.5 5 2 17 723.799 0 0 0 0.5 0 23 415 5 0 2 6 0 1 1 0 5 0 2 2 4 0 0 0 0 0 0 0 0 0 11 9 8 0 11 3 7 7 0 3 10 0 0 0 0 8 7 0 0 13 8 7 0 0 # -9.535 4.828 40.456 # LYS 672 Env_3ccw_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 25 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 50 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 2 0 0 2 0 0 0 0 0 0 0 0 -1.7147 4 2 2 0 0 0 0 1 1 0 0 1 115.878 0.666 0 0.666 0.666 -1 13 70 0 2 0 0 0 0 0 0 0 0 0 0 2 0 0 0 0 0 0 0 0 0 2 2 0 0 2 0 2 0 0 0 2 0 0 1 0 0 1 0 0 2 1 1 0 0 2 2 2 2 3 0 0 2 2 1 2 0 0 -4.5682 18 6 5 5 2 0 1 3 2 3 0 4 391.731 2.331 0.999 1.332 2.331 -6 49 248 0 5 0 4 0 1 0 0 0 0 0 0 6 0 0 1 1 0 0 0 0 0 6 9 3 0 6 3 5 4 0 1 4 0 0 6 0 0 7 0 0 5 6 7 0 0 3 7 0 1 1 0 0 1 0 0 0 1 0 -0.343 14 10 2 1 1 0 0.5 1 1 1 0 6 394.9 0 0 0 0 -1 22 270 0 4 1 1 2 1 0 2 0 0 0 0 2 0 0 0 1 0 0 0 0 0 2 5 5 2 2 7 4 1 0 1 1 0 0 5 0 2 5 0 0 2 7 5 0 0 8 19 0 7 0 1 0 5 1 2 0 0 0 -3.7947 43 27 8 8 0 0 2 7 1 5.5 0 23 1130.23 1.333 0.333 1 1.333 -5 48 1065 0 4 5 3 0 2 1 2 0 6 0 4 7 0 0 4 5 0 0 0 0 0 13 12 16 2 13 18 8 4 0 2 15 0 0 9 0 4 13 0 0 17 13 13 0 0 # -7.064 11.057 42.265 # MET 638 Env_3ccw_9 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 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 -1.1414 4 3 1 0 0 0 0 1 0 0 0 2 114.667 0 0 0 0 1 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 0 0 0 0 0 4 0 0 0 0 4 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 66 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 2 0 0 2 0 1 0 2 1 0 0 0 0 0 0 0 0 0 2 1 0 0 0 2 1 0 0 1 5 0 0 0 0 0 1 0 0 0 0 0 -0.3673 7 6 0 1 0 0 0 0 0 1 0 4 212.554 0 0 0 0 2 6 97 3 0 0 0 0 0 1 0 0 0 1 0 0 0 1 1 0 0 0 0 0 0 5 1 1 0 5 1 0 1 0 0 2 0 0 3 0 0 2 0 0 2 3 2 0 0 2 13 0 1 1 0 0 2 1 0 0 0 0 -1.4147 20 15 2 3 0 0 0 1 1 2.5 0 5 561.56 0.666 0.666 0 0.666 2 32 345 2 3 0 0 0 0 2 0 0 1 2 0 0 0 3 5 2 0 0 0 0 0 8 5 7 0 8 7 3 2 0 0 8 0 0 6 0 0 6 0 0 8 6 6 0 0 8 12 3 5 1 0 1 6 1 3 0 0 0 -3.97 40 23 7 10 0 0 3 6 1 6.5 3 25 988.144 0.999 0.333 0.666 1.499 -11 39 1662 0 3 0 0 0 0 4 5 5 3 8 0 0 0 2 4 4 0 0 2 0 0 15 7 13 5 15 13 8 4 0 0 17 0 0 10 2 0 11 0 0 17 12 11 0 0 # -13.799 17.333 45.96 # VAL 664 Env_3ccw_10 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 8 435 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 1 145 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 0 0 0 0 0 -0.4014 2 1 1 0 0 0 0 1 0 0 0 2 47.647 0 0 0 0 -1 0 290 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 2 0 0 2 0 0 0 0 2 0 0 0 0 0 0 0 0 2 0 0 0 0 2 0 0 0 0 0 0 1 0 0 0 0 0 0.6265 3 2 0 1 0 0 0 0 0 1 0 3 78.514 0 0 0 0 -1 0 315 0 0 2 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 1 0 2 0 1 2 0 0 0 0 3 0 0 0 0 0 0 0 0 3 0 0 0 0 0 3 0 2 0 0 0 1 0 1 0 0 0 -1.8315 7 3 2 2 0 0 1 2 0 1 0 4 157.455 0 0 0 0 -3 4 161 0 0 0 0 0 0 0 0 0 0 0 0 5 0 0 2 0 0 0 0 0 0 5 0 2 0 5 2 0 0 0 0 7 0 0 0 0 0 0 0 0 7 0 0 0 0 2 7 0 3 0 0 0 1 1 0 1 0 0 -1.7898 15 9 3 2 1 0 0 3 0 1.5 0 9 396.153 0.333 0.333 0 0.333 0 18 443 0 0 0 0 0 0 1 3 0 1 0 1 7 0 0 2 0 0 0 0 0 0 8 2 2 3 8 5 1 1 0 0 10 0 0 0 0 1 4 0 0 10 1 4 0 0 # -7.54633 8.20833 48.925 # ASN 639 Env_3ccw_11 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 0 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 3 0 0 0 0 3 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 0 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 1 0 0 0 0 1 0 0 0 0 4 0 1 0 2 0 2 0 0 0 0 0 -2.3428 9 4 3 2 0 0 0 1 2 2 0 3 238.185 2 0 2 2 -2 23 23 0 0 4 0 0 0 0 0 0 0 0 5 0 0 0 0 0 0 0 0 0 0 0 5 4 0 0 4 5 0 0 0 4 0 0 0 0 5 0 0 0 4 5 0 0 0 5 5 0 1 0 0 0 3 0 1 0 0 0 0.3862 15 10 1 4 0 0 1 1 0 3 0 10 387.945 0 0 0 0 -2 11 25 1 0 6 0 0 0 0 2 0 0 0 5 0 0 0 1 0 0 0 0 0 0 1 5 7 2 1 9 5 0 0 0 8 0 0 0 0 5 2 0 0 8 5 2 0 0 6 11 0 6 0 0 0 5 0 1 0 0 0 -3.6321 29 17 6 6 0 0 1 6 0 5 0 21 739.411 0 0 0 0 -7 13 74 4 0 6 1 0 0 0 6 0 0 0 3 0 0 0 6 1 0 2 0 0 0 4 4 15 6 4 21 3 1 0 0 10 0 0 3 0 8 8 0 0 10 11 8 0 0 6 12 0 9 0 0 0 6 0 1 1 1 0 -5.7798 36 18 9 7 2 0 1.5 9 0 6 0 25 866.937 0 0 0 0 -13 22 138 1 0 6 3 2 0 0 4 1 0 2 3 1 0 0 4 4 0 5 0 0 0 4 6 22 4 4 25 4 3 0 0 9 0 0 4 2 9 12 0 0 9 15 12 0 0 # -15.3877 13.9547 35.2007 # ASN 667 Env_3ccw_12 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 30 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 60 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 1 0 0 0 -1.2448 6 2 2 2 0 0 1 2 0 1 0 4 123.945 0 0 0 0 -4 3 90 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 5 1 0 0 0 0 0 0 0 6 0 0 6 0 0 0 0 6 0 0 0 0 0 0 0 0 6 0 0 0 0 2 4 0 1 0 0 0 3 0 0 0 0 0 -1.1506 10 6 1 3 0 0 0 1 0 3 0 9 249.679 0 0 0 0 -3 1 286 1 0 0 0 1 0 0 0 0 0 4 0 0 0 0 3 1 0 0 0 0 0 5 0 5 0 5 5 0 0 0 0 9 0 0 0 1 0 0 0 0 9 1 0 0 0 5 8 2 5 2 0 1 3 0 1 0 0 0 -2.2542 27 15 8 4 0 0 1 6 2 3 2 16 670.641 0.666 0 0.666 1.166 -8 35 783 3 5 1 0 1 0 0 4 2 0 7 0 0 0 0 1 3 0 0 0 0 0 10 5 8 4 10 10 7 0 0 0 24 0 0 0 1 2 0 0 0 24 3 0 0 0 6 16 2 6 1 0 1 5 0 0 0 0 0 -4.4145 37 24 8 5 0 0 0 7 1 5 3 23 965.178 0.333 0 0.333 0.833 -5 33 955 6 5 2 0 2 0 3 2 3 1 6 0 1 0 0 0 2 0 0 4 0 0 18 8 9 2 18 8 8 3 0 0 32 0 0 0 2 3 0 0 0 32 5 0 0 0 # -19.742 4.318 45.506 # SER 125 Env_3ccw_13 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 2 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 6 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 4 4 0 2 0 0 0 1 0 0 0 0 0 0.3031 11 8 2 1 0 0 0 2 0 1 0 8 307.848 0 0 0 0 0 4 11 2 0 2 0 2 0 0 0 0 1 0 0 0 0 0 0 2 0 2 0 0 0 3 0 8 0 3 8 0 0 0 0 1 0 0 0 1 4 5 0 0 1 5 5 0 0 1 4 0 3 0 0 0 4 0 0 0 0 0 -3.4887 12 5 3 4 0 0 0 3 0 4 0 8 253.298 0 0 0 0 -7 9 20 1 0 4 1 3 0 0 0 0 0 0 0 0 0 0 0 1 0 2 0 0 0 1 1 10 0 1 10 0 1 0 0 3 0 0 0 1 4 4 0 0 3 5 4 0 0 3 10 2 5 1 0 0 5 0 0 0 1 0 -4.4752 27 15 6 5 1 0 0.5 5 1 5 2 15 645.054 0 0 0 0 -5 26 77 7 1 5 1 1 0 0 1 0 5 0 2 0 0 1 0 0 0 3 0 0 0 13 4 9 1 13 10 3 1 0 0 8 0 0 1 3 6 9 0 0 8 10 9 0 0 11 16 5 9 2 1 0 7 0 4 0 0 0 -4.9213 55 32 12 11 0 0 4 9.5 2.5 7 4 31 1377.69 1.999 0 1.999 1.999 -13 72 184 2 7 3 3 0 0 0 9 0 2 0 8 2 0 3 11 1 0 4 0 0 0 9 18 19 9 9 28 15 3 0 0 15 0 0 5 2 10 23 0 0 15 17 23 0 0 # -9.516 15.622 33.353 # THR 670 Env_3ccw_14 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 89 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 89 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 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 0 207 0 0 0 0 2 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 2 1 0 3 0 0 0 0 0 0 0 0 3 0 0 0 0 0 3 0 0 0 1 1 0 0 0 0 0 2 0 0 0 0 0 -0.5638 4 2 0 2 0 0 0 0 0 2 0 4 90.008 0 0 0 0 -2 0 236 0 0 0 0 2 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 2 2 0 4 0 0 0 0 0 0 0 0 4 0 0 0 0 0 4 0 0 0 1 2 0 2 0 0 0 0 2 0 0 0 0 -1.8321 7 3 2 2 0 0 0 2 0 1 0 2 144.147 0.999 0.999 0 0.999 -2 14 194 1 0 0 0 0 0 4 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 2 4 0 1 2 1 0 4 0 0 2 0 0 0 1 4 0 0 0 2 5 0 0 0 5 8 0 4 0 0 0 3 0 0 0 0 0 -0.208 20 13 4 3 0 0 0 4 0 3 0 17 526.66 0 0 0 0 -5 4 919 7 0 0 0 0 0 4 3 0 0 2 0 0 0 0 3 0 0 0 1 0 0 10 4 3 3 10 6 0 4 0 0 9 0 0 0 7 4 0 0 0 9 11 0 0 0 # -14.528 3.073 51.22 # CYS 121 Env_3ccw_15 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 20 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 1 0 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 80 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 4 0 0 0 0 0 0 4 0 0 0 0 1 0 0 0 0 0 0 0 0 0 1 0 -0.3653 2 1 0 0 1 0 0.5 0 0 0 0 0 60.031 0 0 0 0 0 6 25 0 0 0 0 1 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 1 0 1 0 1 1 0 0 0 0 1 0 0 0 0 1 0 0 0 1 1 0 0 0 0 7 0 0 1 0 0 2 0 2 1 0 0 -3.773 13 7 1 4 1 0 2 0.5 0.5 2 0 4 342.822 0.333 0 0.333 0.333 -1 19 163 0 4 0 1 1 0 0 0 0 0 0 0 1 0 0 4 1 0 0 1 0 0 2 5 6 0 2 6 4 1 0 0 2 0 0 4 0 2 5 0 0 2 6 5 0 0 5 7 1 4 0 0 0 1 2 0 0 0 0 0.2292 20 13 4 3 0 0 0 4 0 2 0 12 506.084 1.332 0.999 0.333 1.332 -4 19 292 0 3 0 5 1 0 0 1 0 0 0 0 3 0 0 4 1 0 0 2 0 0 5 8 6 1 5 7 3 5 0 0 5 0 0 3 0 3 9 0 0 5 6 9 0 0 6 13 0 5 2 1 0 5 0 2 1 0 0 -5.5149 35 19 8 7 1 0 2 5.5 2.5 5 0 22 904.198 1.333 0 1.333 1.333 -6 34 237 0 3 1 2 2 0 0 4 0 4 1 1 4 0 3 2 5 0 0 3 0 0 15 6 10 4 15 14 4 2 0 0 10 0 0 5 0 6 14 0 0 10 11 14 0 0 # -9.979 13.574 42.111 # ARG 571 Env_3ccw_16 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 78 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 26 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 1 0 0 0 0 0 0 0 0.1751 4 3 1 0 0 0 0 0 1 0 0 2 134.04 1 0 1 1 0 9 64 0 0 0 2 0 0 0 0 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 4 0 0 0 0 2 2 0 0 0 0 0 0 0 2 2 0 0 0 2 2 0 0 2 5 0 4 0 0 0 3 1 0 0 0 0 -3.1294 15 7 4 4 0 0 0 4 0 3.5 0 6 313.875 0.666 0.666 0 0.666 -4 24 221 4 0 1 2 0 5 2 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 4 5 6 0 4 6 1 4 0 9 1 0 0 0 0 3 2 0 0 10 3 2 0 0 4 7 0 2 0 0 0 2 1 0 0 0 0 -1.2046 16 11 2 3 0 0 0 2 0 2.5 0 8 441.662 0.333 0.333 0 0.333 -1 22 381 4 0 2 0 0 4 4 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 5 5 6 0 5 6 1 4 0 6 2 0 0 0 0 5 3 0 0 8 5 3 0 0 4 9 1 4 0 0 0 2 2 2 1 0 0 -4.83 25 14 4 6 1 0 2 4 0 3 1 11 617.865 0.999 0.999 0 0.999 -1 29 444 2 0 4 3 0 3 2 0 0 0 1 1 2 0 0 0 6 0 1 0 0 0 5 6 14 0 5 14 1 5 0 3 7 0 0 0 0 3 12 0 0 10 3 12 0 0 # -7.39267 2.71533 40.6243 # ASP 748 Env_3ccw_17 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 6 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 1 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 12 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 0 0 2 0 0 0 0 2 0 0 0 2 0 0 0 0 0 0 4 0 0 0 0 0 -1.0007 6 2 0 4 0 0 0 0 0 4 0 4 100.065 0 0 0 0 -4 5 25 2 0 3 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 2 1 3 0 2 3 0 1 0 0 0 0 0 0 0 5 1 0 0 0 5 1 0 0 2 7 0 5 0 1 0 0 0 0 0 0 0 -2.2707 15 9 6 0 0 0 0 5 1 0 0 8 416.077 1 0 1 1 -1 18 76 2 0 4 2 0 0 0 0 1 0 0 5 0 0 0 0 1 0 0 0 0 0 2 7 6 0 2 5 6 2 0 0 2 0 0 0 0 10 3 0 0 2 10 3 0 0 5 13 0 3 0 0 0 5 1 2 0 0 0 -3.1782 29 18 3 8 0 0 2 3 0 5.5 0 15 725.65 0.666 0.666 0 0.666 -5 27 147 1 0 8 4 0 0 0 1 2 0 0 8 0 0 0 2 3 0 0 0 0 0 1 12 15 1 1 14 10 4 0 0 4 0 0 1 0 16 8 0 0 4 17 8 0 0 7 9 2 5 1 0 0 6 3 1 0 1 0 -7.4047 35 18 6 10 1 0 1.5 5.5 0.5 7.5 2 17 841.08 1.332 0.999 0.333 1.332 -12 48 196 1 1 5 1 3 0 2 4 4 0 2 5 0 0 0 3 2 0 2 0 0 0 3 9 19 4 3 19 10 3 0 0 9 0 0 4 0 13 9 0 0 9 17 9 0 0 # -13.863 11.168 35.908 # LYS 673 Env_3ccw_18 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 0 0 0 1 0 0 0 0 1 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0.1868 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 0 0 0 2 0 0 0 0 2 0 0 1 0 0 3 1 1 0 1 0 0 0 1 0 -2.7772 8 1 5 1 1 0 0.5 3.5 1.5 1 0 5 171.875 1.333 0 1.333 1.333 -5 13 41 0 1 1 0 1 0 0 1 0 0 0 1 0 0 0 3 0 0 0 0 0 0 0 2 5 1 0 6 2 0 0 0 1 0 0 1 0 2 4 0 0 1 3 4 0 0 2 3 1 0 2 0 0 3 0 0 0 0 0 -1.1442 11 6 2 3 0 0 0 0.5 1.5 3 0 6 267.619 0.666 0 0.666 0.666 -6 22 123 0 3 2 0 0 0 0 3 0 0 0 1 0 0 0 0 0 0 0 2 0 0 2 4 2 3 2 5 4 0 0 0 1 0 0 3 0 4 3 0 0 1 7 3 0 0 3 14 0 5 0 1 0 2 0 0 0 0 0 -2.5194 25 17 6 2 0 0 0 5 1 2 0 13 683.922 1 0 1 1 2 28 169 0 2 4 2 3 0 0 4 0 0 3 3 0 0 2 0 0 0 1 1 0 0 6 7 8 4 6 12 5 2 0 0 5 0 0 2 0 9 9 0 0 5 11 9 0 0 9 24 0 4 1 0 0 3 1 1 1 0 0 -2.4573 44 33 5 5 1 0 1 4.5 0.5 3.5 0 21 1276.46 0.999 0.666 0.333 0.999 4 48 416 8 4 1 5 1 0 0 0 0 0 2 3 2 0 4 0 6 0 3 5 0 0 21 12 11 0 21 11 7 5 0 0 6 0 0 8 0 11 19 0 0 6 19 19 0 0 # -13.075 14.675 39.697 # SER 665 Env_3ccw_19 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 0 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 0 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 2 1 1 2 0 0 2 0 1 0 0 0 -1.6216 11 5 3 3 0 0 1 1.5 1.5 2 0 6 253.909 0.666 0 0.666 0.666 -5 18 416 0 4 0 0 0 0 0 0 0 0 0 0 0 0 0 7 0 0 0 0 0 0 0 4 7 0 0 7 4 0 0 0 11 0 0 0 0 0 0 0 0 11 0 0 0 0 2 7 0 3 1 0 0 0 0 0 0 0 0 -1.2317 13 9 4 0 0 0 0 3.5 0.5 0 0 8 368.43 0.333 0 0.333 0.333 -2 15 497 0 5 0 0 0 0 0 2 0 0 4 0 0 0 0 1 1 0 0 0 0 0 4 5 2 2 4 4 5 0 0 0 12 0 0 0 1 0 0 0 0 12 1 0 0 0 6 6 0 4 0 0 0 6 0 0 0 0 0 -2.0313 22 12 4 6 0 0 0 4 0 6 0 19 527.632 0 0 0 0 -7 3 507 7 2 2 0 0 0 0 3 0 0 4 0 0 0 0 1 3 0 0 0 0 0 11 2 6 3 11 9 2 0 0 0 22 0 0 0 0 0 0 0 0 22 0 0 0 0 4 15 1 6 0 0 1 8 0 1 0 0 0 -5.7708 36 20 7 9 0 0 1 6.5 0.5 8 2 25 877.721 0 0 0 0.5 -9 25 469 6 0 2 0 2 0 4 3 2 0 11 0 2 0 0 0 2 0 0 2 0 0 21 4 8 3 21 9 2 4 0 0 26 0 0 0 8 2 0 0 0 26 10 0 0 0 # -22.56 4.943 45.833 # SER 412 Env_3ccw_20 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 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 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 0 0 0 0 1 0 0 0 0 1 0 0 1 2 0 1 0 0 0 0 0 0 0 0 0 -0.4195 4 3 1 0 0 0 0 1 0 0 0 2 124.959 0 0 0 0 0 8 56 0 0 0 2 0 1 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 1 2 1 0 1 1 0 2 0 1 1 0 0 0 0 0 2 0 0 2 0 2 0 0 1 7 1 2 3 1 0 1 0 0 1 0 0 -3.5454 17 9 6 1 1 0 0 3.5 2.5 1 0 4 448.814 2.332 0 2.332 2.332 0 48 144 0 4 0 2 0 2 0 0 0 0 0 7 2 0 0 0 0 0 0 0 0 0 2 13 2 0 2 2 11 2 0 2 2 0 0 1 0 7 5 0 0 4 8 5 0 0 3 3 1 0 2 0 0 2 2 0 0 0 0 -1.3368 13 7 2 4 0 0 0 0.5 1.5 3 0 3 304.978 1.665 0.999 0.666 1.665 -4 32 103 0 3 0 1 1 2 2 0 0 0 0 1 1 0 0 0 2 0 0 0 0 0 1 7 5 0 1 5 4 3 0 2 1 0 0 2 0 2 6 0 0 3 4 6 0 0 3 14 0 4 1 1 0 5 4 1 2 1 0 -8.9054 36 17 6 10 3 0 1.5 4 2 7 0 12 875.475 2.665 1.665 1 2.665 -6 70 400 3 2 3 2 2 2 5 0 1 0 0 5 6 0 0 1 4 0 0 0 0 0 9 14 13 0 9 12 8 7 0 4 4 0 0 5 0 11 12 0 0 8 16 12 0 0 # -8.54867 9.251 39.1233 # ASP 671 Env_3ccw_21 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 11 207 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 69 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 2 0 0 0 1 0 0 0 0 0 0 -0.2807 4 3 1 0 0 0 0 0.5 0.5 0 3 0 107.131 0 0 0 0.5 0 12 561 0 0 0 0 0 0 1 0 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 3 0 0 0 3 1 0 0 1 0 0 0 0 0 3 0 0 1 0 3 0 0 0 1 1 1 0 0 1 1 0 0 0 0 0 -1.4009 5 2 2 1 0 0 0 1.5 0.5 1 2 3 93.857 0 0 0 0.5 -3 5 481 0 0 0 0 0 0 2 0 2 0 0 0 0 0 0 1 0 0 0 0 0 0 0 2 3 0 0 1 2 2 0 0 3 0 0 0 0 0 2 0 0 3 0 2 0 0 4 8 0 3 0 0 0 2 0 0 0 0 0 -0.2762 17 12 3 2 0 0 0 3 0 2 0 12 467.519 0 0 0 0 -1 7 1376 0 0 0 0 0 0 2 0 3 0 0 5 0 0 0 3 1 0 0 3 0 0 3 7 7 0 3 4 8 2 0 0 11 0 0 0 0 3 3 0 0 11 3 3 0 0 2 8 0 3 0 0 0 2 0 1 0 0 0 -2.1032 16 10 3 3 0 0 1 3 0 2 0 11 417.656 0 0 0 0 -3 8 757 0 0 0 0 0 0 0 4 1 0 0 3 0 0 0 2 5 0 0 1 0 0 1 3 8 4 1 11 4 0 0 0 11 0 0 0 3 1 1 0 0 11 4 1 0 0 # -12.489 16.8233 51.4507 # GLU 646 Env_3ccw_22 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 39 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 13 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 1 0 0 1 0 0 0 0 -1.6054 4 1 2 1 0 0 0 1 1 0.5 0 2 95.294 1.333 0.333 1 1.333 -1 9 96 0 0 2 0 0 0 1 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 2 2 0 0 2 1 1 0 0 2 0 0 0 0 2 0 0 0 2 2 0 0 0 3 6 2 1 0 0 1 2 1 0 0 0 0 -1.6392 16 11 2 3 0 0 0 1.5 0.5 2.5 3 5 401.158 0.666 0.666 0 1.166 -1 31 234 2 0 2 0 0 0 2 0 5 1 2 2 0 0 0 0 0 0 0 0 0 0 5 4 7 0 5 2 7 2 0 1 6 0 0 0 0 9 0 0 0 7 9 0 0 0 2 11 1 1 0 0 1 1 2 0 0 0 0 -1.6072 19 14 2 3 0 0 0 1.5 0.5 2 2 6 523.704 0.999 0.999 0 1.499 3 28 276 5 0 0 3 0 0 2 0 4 1 2 2 0 0 0 0 0 0 0 0 0 0 8 7 4 0 8 0 6 5 0 1 7 0 0 0 0 8 3 0 0 8 8 3 0 0 5 11 0 5 0 0 0 4 1 2 0 0 0 -3.6686 28 16 5 7 0 0 2 5 0 4.5 0 18 688.341 0.666 0.666 0 0.666 -7 19 241 9 0 0 3 0 2 1 0 1 4 2 2 0 0 0 0 3 0 0 1 0 0 16 6 6 0 16 5 3 4 0 5 13 0 0 0 0 6 4 0 0 18 6 4 0 0 # -12.578 3.44033 39.9443 # ASN 315 Env_3ccw_23 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 19 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 57 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 2 0 1 0 0 0 2 0 0 0 0 0 -1.181 7 4 1 2 0 0 0 1 0 2 0 5 171.165 0 0 0 0 -1 6 184 2 0 0 0 0 0 0 0 0 0 5 0 0 0 0 0 0 0 0 0 0 0 7 0 0 0 7 0 0 0 0 0 7 0 0 0 0 0 0 0 0 7 0 0 0 0 2 6 0 0 0 0 0 2 0 0 0 0 0 -0.3657 10 8 0 2 0 0 0 0 0 2 0 8 291.068 0 0 0 0 0 3 145 5 0 0 0 0 0 0 0 0 0 1 0 3 0 0 0 0 0 0 1 0 0 10 0 0 0 10 0 0 0 0 0 8 0 0 2 0 0 0 0 0 8 2 0 0 0 5 14 0 8 0 0 0 3 0 0 1 0 0 -3.1776 31 19 8 3 1 0 0 8 0 3 0 18 810.789 0 0 0 0 0 29 489 11 0 0 0 0 0 0 1 0 0 5 2 5 0 0 3 0 0 0 4 0 0 25 2 3 1 25 4 2 0 0 0 20 0 0 4 2 2 3 0 0 20 8 3 0 0 3 14 0 3 0 1 0 4 0 1 0 0 0 -3.3837 26 17 4 5 0 0 1 3 1 4 0 16 708.724 1 0 1 1 0 18 1014 6 0 0 0 0 0 0 3 3 0 3 3 0 0 0 4 0 0 0 4 0 0 13 3 7 3 13 7 6 0 0 0 10 0 0 1 4 4 7 0 0 10 9 7 0 0 # -19.036 14.29 43.752 # LEU 417 Env_3ccw_24 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 0 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 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 0.0828 3 3 0 0 0 0 0 0 0 0 0 1 100.53 0 0 0 0 1 3 0 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 3 0 0 0 0 0 0 0 0 3 0 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 8 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 2 0 0 0 0 0 1 0 2 0 1 2 0 0 0 0 3 0 0 0 0 0 0 0 0 3 0 0 0 0 3 10 0 3 0 0 0 3 0 0 1 0 0 -1.6314 20 13 3 3 1 0 0 3 0 3 0 13 539.044 0 0 0 0 0 18 190 0 0 1 0 0 0 0 2 0 2 4 0 2 0 0 4 1 0 0 4 0 0 12 0 6 2 12 8 0 0 0 0 18 0 0 2 0 0 0 0 0 18 2 0 0 0 3 10 1 3 0 0 2 5 0 1 0 0 0 -4.3545 25 14 5 6 0 0 1 4 1 5 3 13 613.905 0 0 0 1 -3 25 376 7 0 1 0 1 0 0 2 3 2 3 0 1 0 0 2 2 0 0 1 0 0 14 0 9 2 14 8 3 0 0 0 19 0 0 2 1 3 0 0 0 19 6 0 0 0 5 14 2 7 0 0 0 2 0 1 0 1 0 -2.898 32 21 7 3 1 0 1.5 7 0 2 2 20 849.415 0 0 0 0 -5 20 343 4 1 5 0 3 0 1 2 2 3 0 0 1 0 0 2 3 0 0 5 0 0 13 2 15 2 13 15 3 1 0 0 27 0 0 2 1 2 0 0 0 27 5 0 0 0 # -19.466 0.11 42.422 # THR 126 Env_3ccw_25 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 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 6 0 0 1 0 0 0 0 3 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 2 3 0 5 0 0 0 0 0 0 0 0 0 1 4 0 0 0 1 4 0 0 0 1 0 0 0 0 0 2 0 0 0 0 0 -1.455 3 1 0 2 0 0 0 0 0 2 0 2 56.498 0 0 0 0 -1 2 6 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 1 0 0 0 1 0 0 1 0 1 1 1 2 0 0 0 0 0 0 0 1 0 0 2 0 0 0 1 2 0 0 3 12 2 3 0 1 0 1 0 1 0 0 0 -1.7744 23 17 4 2 0 0 1 3 1 1 2 12 660.264 1 0 1 1 4 24 41 2 0 3 0 0 0 0 1 0 0 0 5 0 0 2 4 0 0 3 3 0 0 7 5 10 1 7 11 5 0 0 0 5 0 0 7 0 3 8 0 0 5 10 8 0 0 7 8 1 5 0 0 0 7 0 0 0 1 0 -2.9097 29 16 5 7 1 0 0.5 5 0 7 2 19 685.323 0 0 0 0 -10 25 117 3 0 6 0 1 0 0 2 0 0 0 4 0 0 3 0 0 0 4 6 0 0 12 4 11 2 12 13 4 0 0 0 7 0 0 8 0 8 6 0 0 7 16 6 0 0 3 13 4 6 0 0 0 3 0 1 0 0 0 -5.5117 30 20 6 4 0 0 1 6 0 3 4 15 772.763 0 0 0 0 2 38 112 0 0 5 0 1 0 0 4 0 0 5 0 0 0 2 1 0 0 8 4 0 0 11 0 15 4 11 19 0 0 0 0 13 0 0 9 0 2 6 0 0 13 11 6 0 0 # -15.227 18.317 38.306 # GLY 666 Env_3ccw_26 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 0 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 1 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 0 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 1 0 0 0 0 1 0 0 0 0 1 1 2 2 0 0 0 0 1 0 0 0 -2.0491 7 2 4 1 0 0 1 2.5 1.5 0 0 3 144.528 0.666 0 0.666 0.666 -5 17 66 0 3 0 0 2 0 0 1 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 3 3 1 0 4 3 0 0 0 0 0 0 3 0 2 2 0 0 0 5 2 0 0 6 11 0 5 2 0 0 2 0 0 0 0 0 -1.3234 26 17 7 2 0 0 0 6 1 2 0 19 712.201 0.666 0 0.666 0.666 -6 20 188 0 8 3 2 1 0 0 3 0 0 0 0 0 0 0 2 4 0 3 0 0 0 0 10 13 3 0 16 8 2 0 0 0 0 0 8 0 4 14 0 0 0 12 14 0 0 5 7 1 3 1 1 0 8 0 2 1 0 0 -4.2861 29 13 5 10 1 0 2 3 2 8 0 16 659.055 1.666 0.333 1.333 1.666 -9 32 164 0 3 3 2 1 0 0 3 0 0 0 1 1 0 2 3 6 0 2 2 0 0 5 6 15 3 5 18 4 2 0 0 2 0 0 3 0 6 18 0 0 2 9 18 0 0 3 10 2 1 2 1 0 4 2 0 0 0 0 -4.1417 25 15 4 6 0 0 0 1.5 2.5 5 2 8 636.704 1.999 0.666 1.333 1.999 -4 52 113 0 4 2 4 0 0 0 1 0 1 0 3 1 0 4 0 3 0 2 0 0 0 6 11 7 1 6 8 7 4 0 0 3 0 0 6 0 3 13 0 0 3 9 13 0 0 # -9.896 15.359 38.941 # CYS 669 Env_3ccw_27 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 33 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 66 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 0 0 1 0 0 0 2 0 0 0 0 0 -0.357 5 2 1 2 0 0 0 1 0 2 0 5 104.145 0 0 0 0 -3 0 134 3 0 0 0 0 0 0 0 0 0 2 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 3 4 0 1 1 0 0 3 0 0 0 0 0 -1.6722 12 7 2 3 0 0 0 1.5 0.5 3 0 10 307.618 0.333 0 0.333 0.333 -4 9 568 3 1 0 0 0 0 0 0 2 0 4 0 0 0 0 2 0 0 0 0 0 0 7 1 4 0 7 2 3 0 0 0 10 0 0 0 0 0 2 0 0 10 0 2 0 0 2 10 1 5 1 0 0 1 0 1 0 0 0 -2.559 21 13 6 2 0 0 1 5.5 0.5 1 0 11 546.464 0.666 0 0.666 0.666 -1 24 834 4 2 0 0 0 0 0 0 2 0 7 0 4 0 0 2 0 0 0 0 0 0 15 2 4 0 15 2 4 0 0 0 17 0 0 0 2 0 2 0 0 17 2 2 0 0 3 10 0 2 1 0 0 4 0 1 0 0 0 -3.0094 21 13 3 5 0 0 1 2 1 4 0 12 547.616 0 0 0 0 -3 17 805 6 1 0 0 0 0 0 3 1 0 5 0 1 0 0 4 0 0 0 0 0 0 12 1 5 3 12 7 2 0 0 0 13 0 0 0 7 0 1 0 0 13 7 1 0 0 # -19.916 10.353 47.217 # ALA 416 Env_3ccw_28 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 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 0 0 1 0 0 0 0 0 0 0 0 0 1 0 0 0 0 1 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 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 0 3 0 0 0 0 0 0 0 0 0 3 0 0 0 0 3 0 0 0 2 0 0 0 0 0 1 0 0 1 0 0 -0.754 4 2 0 1 1 0 0 0 0 1 0 1 105.035 0 0 0 0 1 8 0 0 2 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 0 0 1 2 1 0 1 1 2 0 0 0 0 0 0 2 0 0 2 0 0 0 2 2 0 0 5 7 0 3 0 0 0 2 2 1 1 0 0 -1.8632 21 12 3 5 1 0 1 3 0 3 0 10 513.609 1.332 1.332 0 1.332 -3 26 106 0 1 0 5 3 0 2 0 0 0 0 0 3 0 0 0 7 0 0 0 0 0 3 8 10 0 3 10 1 7 0 0 1 0 0 6 0 3 11 0 0 1 9 11 0 0 5 12 1 5 2 0 0 1 2 0 1 1 0 -3.8066 30 18 7 3 2 0 0.5 6 1 2 0 11 797.324 1.665 0.666 0.999 1.665 -4 57 217 0 7 3 2 2 2 3 1 0 0 0 1 6 0 0 0 3 0 0 0 0 0 6 13 10 1 6 11 8 5 0 2 5 0 0 11 0 3 9 0 0 7 14 9 0 0 2 14 1 5 3 0 0 6 0 1 0 0 0 -6.2997 32 17 8 7 0 0 1 5.5 2.5 6 0 16 779.132 0.666 0 0.666 0.666 -7 44 335 0 9 1 1 1 2 1 3 0 0 0 2 8 0 0 0 3 0 1 0 0 0 8 13 8 3 8 11 11 2 0 2 4 0 0 11 0 3 12 0 0 6 14 12 0 0 # -5.423 12.175 38.341 # ARG 683 Env_3ccw_29 0 0 1 0 0 0 2 0 0 0 0 0 0 -0.6593 3 1 2 0 0 0 0 1 1 0 3 0 61.237 0 0 0 1 -2 11 30 0 0 0 0 0 0 0 0 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 3 0 0 0 3 0 0 0 0 0 0 0 0 3 0 0 0 0 3 0 0 0 0 0 2 0 0 0 0 0 0 0 0 0 0 -0.0338 2 2 0 0 0 0 0 0 0 0 2 0 47.1 0 0 0 0 0 5 20 0 0 0 0 0 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 2 0 0 0 2 0 0 0 0 0 0 0 0 2 0 0 0 0 2 0 0 0 0 1 0 0 0 0 0 1 0 0 0 0 0 -0.5753 2 1 0 1 0 0 0 0 0 1 0 1 45.004 0 0 0 0 0 1 20 0 0 0 0 0 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 2 0 0 0 2 0 0 0 0 0 0 0 0 2 0 0 0 0 2 0 0 0 3 8 0 2 0 0 0 1 1 0 0 0 0 -1.7482 15 11 2 2 0 0 0 2 0 1.5 0 6 419.876 0.333 0.333 0 0.333 2 22 221 0 0 3 0 0 0 1 3 3 1 4 0 0 0 0 0 0 0 0 0 0 0 5 1 6 3 5 6 3 1 0 0 12 0 0 0 0 3 0 0 0 12 3 0 0 0 3 10 0 6 0 0 0 2 0 2 0 0 0 -3.1708 23 13 6 4 0 0 2 6 0 2 0 14 564.823 0.333 0.333 0 0.333 -5 19 250 6 0 4 0 0 0 3 1 0 3 4 0 0 0 0 1 1 0 0 0 0 0 13 3 6 1 13 7 0 3 0 0 19 0 0 0 0 4 0 0 0 19 4 0 0 0 9 16 0 6 0 0 0 8 2 0 0 0 0 -4.0134 41 25 6 10 0 0 0 6 0 9 0 29 1042.8 0.666 0.666 0 0.666 -9 23 277 9 0 1 0 0 0 6 0 0 2 8 0 1 0 0 6 5 0 0 3 0 0 23 6 12 0 23 12 0 6 0 0 39 0 0 0 0 2 0 0 0 39 2 0 0 0 # -17.174 4.932 40.1945 # HIS 312 Env_3ccw_30 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 48 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 2 144 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 2 0 1 0 0 1 2 0 0 0 0 0 -1.4605 8 4 2 2 0 0 0 1.5 0.5 2 1 5 191.744 0 0 0 0.5 -2 10 202 0 0 0 0 0 0 0 1 1 0 4 0 1 0 0 1 0 0 0 0 0 0 5 0 2 1 5 2 1 0 0 0 7 0 0 0 0 1 0 0 0 7 1 0 0 0 1 2 3 0 0 0 1 2 0 1 0 0 0 -1.6694 10 6 1 3 0 0 1 0.5 0.5 2 4 5 228.433 0 0 0 0.5 -4 14 70 0 0 0 0 0 0 1 1 4 0 0 0 1 0 0 3 0 0 0 0 0 0 1 1 7 1 1 4 4 1 0 0 6 0 0 0 0 4 0 0 0 6 4 0 0 0 3 11 0 7 0 0 0 1 1 1 1 0 0 -3.5513 25 14 7 3 1 0 1 7 0 1.5 0 13 637.408 0.333 0.333 0 0.333 -2 22 178 4 0 0 0 0 0 4 1 2 0 6 0 4 0 0 4 0 0 0 0 0 0 14 4 6 1 14 5 2 4 0 0 22 0 0 0 0 3 0 0 0 22 3 0 0 0 6 15 0 3 1 0 0 5 1 0 0 0 0 -3.6923 31 21 4 6 0 0 0 3.5 0.5 5.5 0 19 839.518 0.999 0.666 0.333 0.999 -4 34 360 10 1 1 0 0 0 4 1 3 1 5 1 1 0 0 3 0 0 0 0 0 0 17 6 7 1 17 5 5 4 0 0 24 0 0 0 0 7 0 0 0 24 7 0 0 0 # -18.967 7.993 42.395 # LEU 413 Env_3ccw_31 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 4 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 1 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 8 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 2 0 0 0 0 2 0 0 0 2 0 0 1 0 0 0 1 2 0 0 0 0 -1.4265 6 2 1 3 0 0 0 1 0 2 0 4 120.925 0.666 0.666 0 0.666 -4 8 20 2 0 1 0 0 0 2 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 2 2 2 0 2 1 1 2 0 0 2 0 0 0 0 4 0 0 0 2 4 0 0 0 2 8 2 1 0 1 0 2 0 0 1 0 0 -1.4249 17 12 2 2 1 0 0 1 1 2 2 3 463.786 1.333 0.333 1 1.333 3 39 149 0 0 5 0 0 0 1 0 4 0 2 3 2 0 0 0 0 0 0 0 0 0 4 4 9 0 4 5 7 1 0 0 11 0 0 0 0 6 0 0 0 11 6 0 0 0 5 15 0 5 0 1 2 5 0 1 0 0 0 -5.6845 34 20 8 6 0 0 1 6 2 5 2 13 868.168 1 0 1 2 -2 53 318 1 0 8 0 0 0 6 1 3 0 6 4 4 0 0 0 1 0 0 0 0 0 11 10 12 1 11 10 7 6 0 0 20 0 0 1 0 13 0 0 0 20 14 0 0 0 3 10 1 4 0 0 0 4 0 1 0 0 0 -2.9765 23 14 4 5 0 0 1 4 0 4 1 11 592.124 0 0 0 0 -2 26 143 2 0 4 0 0 0 0 1 2 0 4 2 2 0 0 2 2 0 2 0 0 0 8 2 12 1 8 11 4 0 0 0 12 0 0 5 0 4 2 0 0 12 9 2 0 0 # -18.441 9.894 37.742 # ALA 311 Env_3ccw_32 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 74 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 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 16 222 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 3 0 0 0 0 0 0 0 0 3 0 0 0 0 0 2 0 0 0 0 0 0 0 1 0 0 0 -0.5671 3 2 0 1 0 0 1 0 0 0 0 0 84.177 0 0 0 0 0 7 148 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 2 1 0 0 1 2 0 0 0 3 0 0 0 0 0 0 0 0 3 0 0 0 0 2 6 0 0 0 0 0 3 0 0 0 0 0 -0.9694 11 8 0 3 0 0 0 0 0 3 0 7 302.562 0 0 0 0 0 6 102 1 1 0 0 0 0 0 0 0 0 4 0 0 0 0 4 0 0 0 1 0 0 6 1 4 0 6 4 1 0 0 0 6 0 0 0 5 0 0 0 0 6 5 0 0 0 3 10 0 5 0 0 0 2 0 1 0 0 0 -2.343 21 13 5 3 0 0 1 5 0 2 0 14 546.46 0 0 0 0 -2 11 838 5 2 0 0 0 0 0 0 0 0 5 3 0 0 0 4 0 0 0 2 0 0 12 5 4 0 12 4 5 0 0 0 13 0 0 0 5 3 0 0 0 13 8 0 0 0 6 9 0 5 0 1 0 4 0 0 0 0 0 -1.3367 25 15 6 4 0 0 0 5 1 4 0 19 652.821 1 0 1 1 -6 17 1224 5 2 0 0 0 0 0 2 0 0 5 5 1 0 0 3 0 0 0 2 0 0 13 7 3 2 13 5 7 0 0 0 17 0 0 0 3 5 0 0 0 17 8 0 0 0 # -23.882 6.806 48.52 # ARG 128 Env_3ccw_33 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 8 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 24 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 2 0 1 0 0 0 2 0 0 0 0 0 -1.195 7 4 1 2 0 0 0 1 0 2 0 5 171.165 0 0 0 0 -1 6 185 0 0 0 0 1 0 1 0 0 0 4 0 0 0 0 0 0 0 0 1 0 0 5 1 1 0 5 1 0 1 0 0 5 0 0 0 1 1 0 0 0 5 2 0 0 0 2 7 0 1 0 0 0 2 0 1 0 0 0 -1.0798 13 9 1 3 0 0 1 1 0 2 0 6 342.941 0.333 0.333 0 0.333 0 13 597 0 0 0 0 3 0 4 1 0 0 0 0 0 0 0 0 3 0 0 2 0 0 2 4 6 1 2 7 0 4 0 0 2 0 0 0 4 4 3 0 0 2 8 3 0 0 4 7 1 6 0 0 0 3 3 1 0 0 0 -4.9385 25 12 6 7 0 0 1 6 0 4.5 1 11 558.433 1.332 1.332 0 1.332 -10 37 669 1 0 5 0 2 0 6 3 1 0 0 0 1 0 0 2 2 0 0 2 0 0 4 6 12 3 4 14 1 6 0 0 12 0 0 1 5 7 0 0 0 12 13 0 0 0 6 17 0 4 0 0 2 3 1 1 1 1 0 -3.5325 36 23 6 5 2 0 1.5 5 1 3.5 2 21 980.812 0.333 0.333 0 1.333 -3 33 464 4 0 2 0 3 0 2 0 2 4 0 0 3 0 0 3 11 0 0 2 0 0 13 2 21 0 13 19 2 2 0 0 18 0 2 3 1 4 8 0 0 18 10 8 0 0 # -14.51 0.147 44.269 # LEU 122