REFMAC

TLS
RANGE  'I   2.' 'I 526.' ALL
ORIGIN    50.8514 -33.1421  61.5931
T     0.8842   0.9210   0.9474  -0.0006  -0.0051  -0.0100
L     0.1267   0.3399   0.7986  -0.0465  -0.1518  -0.2971
S    -0.0159   0.0086  -0.5202   0.0355  -0.0602   0.5255  -0.0289   0.0441