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ligs    1j1b    1j1c    1o9u    1pyx    1q3d    1q3w    1q4l    1q41  
+  1q5k    1r0e    1uv5    2o5k    2ow3    3du8    3f7z    3f88    3gb
+2    3i4b    3l1s    2jld    1gng    1h8f    1i09
AMP_PNP    2.81    3.28    2.15    2.50    2.62    4.56    3.10    3.0
+4    4.21    3.24    3.59    2.40    3.64    4.64    3.43    3.86    
+2.06    2.13    2.64    2.88    4.13    3.26    2.74
ADP    1.21    1.61    2.83    0.87    1.65    3.80    2.91    1.93   
+ 3.70    2.81    2.15    2.32    1.49    1.44    1.31    2.71    1.62
+    1.23    2.06    2.09    3.71    2.85    2.04
ADZ    3.56    3.59    3.52    0.89    3.40    1.82    4.08    3.42   
+ 0.88    3.93    4.15    3.88    4.90    1.93    4.05    1.08    3.33
+    1.00    1.02    3.87    3.55    3.42    1.80

ligs    1j1b    1j1c    1o9u    1pyx    1q3d    1q3w    1q4l    1q41  
+  1q5k    1r0e    1uv5    2o5k    2ow3    3du8    3f7z    3f88    3gb
+2    3i4b    3l1s    2jld    1gng    1h8f    1i09
AMP_PNP    3.739    2.796    3.314    1.962    2.024    4.109    3.251
+    2.917    2.738    2.561    4.219    2.313    3.377    3.352    2.
+996    4.885    1.825    2.282    4.033    3.288    4.488    2.426   
+ 2.409
...
ADP    2.317    3.333    3.125    2.514    2.847    3.94    3.542    1
+.908    3.977    2.062    2.297    2.599    2.013    2.759    3.282  
+  3.181    1.59    2.21    3.14    2.239    3.945    3.29    1.861

ADZ    3.733    3.848    4.219    0.858    5.187    4.344    4.586    
+3.391    0.919    4.354    4.247    4.192    5.043    1.843    1.971 
+   1.081    3.386    1.003    0.98    4.307    3.536    4.049    2.40
+4

#!/usr/bin/perl
use warnings;
...
print $out "$lig\t$a3    $b3    $c3    $d3    $e3    $f3    $g3    $h3
+    $i3    $l3    $m3    $n3    $o3    $p3    $q3    $r3    $s3    $t
+3    $u3    $v3    $w3    $x3    $y3\n";
}}}}}}}
close $out;