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Add missing PDB file required for testing
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HEADER HYDROLASE 16-AUG-14 4W52 | ||
REMARK 4 4W52 COMPLIES WITH FORMAT V. 3.30, | ||
REMARK 888 | ||
REMARK 888 WRITTEN BY MAESTRO (A PRODUCT OF SCHRODINGER, LLC) | ||
TITLE T4 LYSOZYME L99A WITH BENZENE BOUND | ||
EXPDTA X-RAY DIFFRACTION | ||
REMARK 2 RESOLUTION. 1.50 ANGSTROMS | ||
REMARK 3 R VALUE : 0.165000 | ||
REMARK 3 FREE R VALUE : 0.182000 | ||
REMARK 200 TEMPERATURE (KELVIN) : 100.00 | ||
REMARK 200 PH : 7.50 | ||
REMARK 350 BIOMOLECULE: 1 | ||
REMARK 350 APPLY THE FOLLOWING TO CHAINS: A | ||
REMARK 350 BIOMT1 1 1.000000 0.000000 0.000000 0.000000 | ||
REMARK 350 BIOMT2 1 0.000000 1.000000 0.000000 0.000000 | ||
REMARK 350 BIOMT3 1 0.000000 0.000000 1.000000 0.000000 | ||
CRYST1 60.350 60.350 96.610 90.00 90.00 120.00 P 32 2 1 6 | ||
HET BNZ L 1 12 | ||
HETNAM BNZ BENZENE | ||
FORMUL 1 BNZ C6 H6 | ||
MODEL 1 | ||
HETATM 1 C1 BNZ L 1 -32.969 6.196 2.877 0.70 15.06 C | ||
HETATM 2 C2 BNZ L 1 -32.945 7.046 3.973 0.70 12.84 C | ||
HETATM 3 C3 BNZ L 1 -33.719 6.798 5.113 0.70 12.24 C | ||
HETATM 4 C4 BNZ L 1 -34.540 5.680 5.143 0.70 13.09 C | ||
HETATM 5 C5 BNZ L 1 -34.545 4.825 4.044 0.70 12.54 C | ||
HETATM 6 C6 BNZ L 1 -33.787 5.069 2.915 0.70 14.23 C | ||
HETATM 7 H1 BNZ L 1 -32.360 6.413 2.012 1.00 0.00 H | ||
HETATM 8 H2 BNZ L 1 -32.318 7.925 3.961 1.00 0.00 H | ||
HETATM 9 H3 BNZ L 1 -33.672 7.473 5.955 1.00 0.00 H | ||
HETATM 10 H4 BNZ L 1 -35.158 5.487 6.007 1.00 0.00 H | ||
HETATM 11 H5 BNZ L 1 -35.156 3.935 4.055 1.00 0.00 H | ||
HETATM 12 H6 BNZ L 1 -33.823 4.399 2.069 1.00 0.00 H | ||
ENDMDL | ||
END |