E-S-ARG-394 E-S-HIS-524 H-M-LEU-346 H-M-THR-347 H-S-THR-347 H-M-ALA-350 H-S-ASP-351 H-S-GLU-353 H-M-LEU-387 H-S-ARG-394 H-M-GLY-420 H-S-HIS-524 V-S-MET-343 V-M-LEU-346 V-S-LEU-346 V-M-THR-347 V-S-THR-347 V-M-ALA-350 V-S-ASP-351 V-S-TRP-383 V-S-LEU-384 V-S-LEU-387 V-S-MET-388 V-S-LEU-391 V-S-PHE-404 V-S-MET-421 V-M-LEU-525 V-S-LEU-525 6.15 2.54 26.09 8.39 26.27 5.75 13.53 20.73 16.03 30.18 4.39 15.94 11.86 67.38 73.08 46.20 20.66 13.48 1.84 28.85 9.27 43.94 2.34 31.63 36.86 8.92 3.33 70.44 ./tmp/est_new/ligs/EST_01.pdb 0.000 0.000 0.000 0.000 0.000 0.000 -3.311 -2.337 0.000 -3.500 -2.500 -3.500 -5.421 -8.344 -7.232 -7.927 -5.498 -6.449 2.862 -14.055 -2.661 -3.994 -1.131 -3.646 -4.727 -4.609 -0.349 -9.892 ./tmp/est_new/ligs/EST_02.pdb 0.000 0.000 0.000 0.000 -1.153 0.000 0.000 0.000 -2.500 -3.500 0.000 0.000 -4.173 -5.780 -7.139 -5.064 -5.832 -1.445 -2.360 -3.007 -5.094 -5.488 -3.930 -5.880 -3.548 -5.162 -0.662 -10.239 ./tmp/est_new/ligs/EST_03.pdb 0.000 0.000 0.000 0.000 0.000 0.000 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./tmp/est_new/ligs/MFCD00000814.pdb 0.000 0.000 0.000 -0.827 -2.500 0.000 0.000 0.000 0.000 0.000 0.000 0.000 -2.144 -3.550 -1.485 -6.510 -4.987 -4.185 -5.334 -23.124 0.000 -1.360 0.000 0.000 0.000 0.000 -1.233 -9.331 ./tmp/est_new/ligs/MFCD00000837.pdb 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 -3.119 -8.268 -9.923 -5.528 -3.079 -1.888 -0.273 -1.698 -1.695 -5.190 -0.766 -4.334 -4.118 -2.163 0.000 -4.442 ./tmp/est_new/ligs/MFCD00000841.pdb 0.000 0.000 0.000 0.000 0.000 -2.697 0.000 0.000 0.000 0.000 0.000 0.000 -0.872 -5.355 -5.224 -4.650 -3.719 -2.966 -0.790 -2.779 -0.666 -4.357 0.000 -2.382 -1.541 0.000 -4.441 -8.425 ./tmp/est_new/ligs/MFCD00000850.pdb 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 -1.226 -7.826 -7.644 -4.723 -2.767 -3.136 -0.355 -2.682 -3.800 -4.681 -3.634 -4.377 -4.660 -0.339 0.000 -3.521 ./tmp/est_new/ligs/MFCD00000851.pdb 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 -3.882 -7.616 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./tmp/est_new/ligs/MFCD00003632.pdb 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 -1.267 -8.917 -7.475 -8.803 -4.444 -3.244 -1.878 -8.422 -1.838 -2.244 0.000 -0.620 -1.620 -0.346 -4.872 -10.578 ./tmp/est_new/ligs/MFCD00003633.pdb 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 -2.003 -7.083 -4.299 -7.927 -5.800 -5.562 -3.592 -5.449 -0.888 -3.951 0.000 -0.830 -1.316 0.000 -3.739 -8.361 ./tmp/est_new/ligs/MFCD00003634.pdb 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 -3.008 0.000 0.000 -0.286 -4.218 0.000 -0.253 -2.222 0.000 0.000 0.000 0.000 0.000 0.000 -5.500 -3.278 ./tmp/est_new/ligs/MFCD00003646.pdb 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 -1.450 -3.500 -3.685 -5.989 -5.744 -0.704 -0.041 -1.885 0.000 -0.441 -0.368 -4.203 0.568 -7.315 -7.306 -5.679 -0.902 -6.203 ./tmp/est_new/ligs/MFCD00003647.pdb 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 -3.683 -4.637 -7.837 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./tmp/est_new/ligs/MFCD00003661.pdb 0.000 0.000 0.000 0.000 0.000 0.000 0.000 -5.000 -2.500 -5.788 0.000 -3.360 -3.497 -3.492 -7.384 -0.320 -0.033 -1.817 0.000 -0.704 -4.821 -7.254 -2.657 -5.693 -4.740 -5.096 -0.616 -3.223 ./tmp/est_new/ligs/MFCD00003662.pdb 0.000 0.000 -0.997 0.000 0.000 0.000 0.000 0.000 -2.500 -7.000 0.000 -3.500 -2.815 -5.462 -8.467 -0.156 0.000 -2.969 0.000 -1.183 -5.326 -5.072 -1.993 -1.049 -7.073 -4.853 -0.560 -5.326 ./tmp/est_new/ligs/MFCD00003663.pdb 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 -3.500 0.000 0.000 -0.345 -8.577 -8.913 -7.751 -5.600 -4.322 -0.652 -4.502 -1.486 -6.029 -0.529 -3.941 -5.538 -0.553 -3.339 -8.548 ./tmp/est_new/ligs/MFCD00003670.pdb 0.000 0.000 -1.431 0.000 0.000 0.000 0.000 0.000 0.000 -4.681 0.000 -3.500 -2.988 -4.307 -8.578 -0.071 0.000 -2.547 0.000 -1.730 -5.738 -2.151 -2.395 -5.890 -6.189 -5.307 -0.831 -5.574 ./tmp/est_new/ligs/MFCD00003671.pdb 0.000 0.000 -0.406 0.000 0.000 -2.012 0.000 0.000 0.000 -1.869 0.000 0.000 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./tmp/est_new/ligs/MFCD00003680.pdb 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 -3.500 0.000 0.000 -2.766 -7.900 -7.602 -6.700 -5.827 -3.408 -0.612 -4.908 -2.875 -4.204 -2.237 -7.489 -5.028 -1.947 -1.669 -10.145 ./tmp/est_new/ligs/MFCD00003681.pdb 0.000 0.000 0.000 0.000 -2.500 0.000 0.000 0.000 0.000 -3.500 0.000 0.000 -2.907 -8.328 -8.535 -7.641 -7.156 -3.809 -0.980 -4.303 -2.579 -4.059 -2.623 -7.636 -5.358 -0.729 -0.219 -6.460 ./tmp/est_new/ligs/MFCD00003682.pdb 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 -3.500 0.000 0.000 -2.471 -8.223 -8.469 -7.463 -5.543 -3.424 -0.923 -5.199 -3.117 -4.559 -2.209 -7.238 -4.530 -1.142 -1.208 -9.729 ./tmp/est_new/ligs/MFCD00003689.pdb 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 -2.500 0.000 0.000 -3.500 -4.960 -5.506 -11.375 -1.483 -0.567 -2.528 0.000 -0.071 -1.676 -6.370 -1.150 -6.148 -4.881 -4.550 -0.727 -4.855 ./tmp/est_new/ligs/MFCD00003700.pdb 0.000 0.000 0.000 -3.500 -4.226 0.000 0.000 -3.500 0.000 -3.369 0.000 0.000 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./tmp/est_new/ligs/MFCD00010265.pdb 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 -2.914 -3.450 -4.355 -4.147 -3.916 -0.547 -0.950 -6.771 -1.347 -2.756 -3.756 -5.199 -2.793 -3.313 -3.603 -11.668 ./tmp/est_new/ligs/MFCD00010266.pdb -2.561 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 -6.236 0.000 0.000 -1.118 -5.365 -5.926 -4.916 -3.903 -1.326 -1.392 -5.891 -0.592 -1.887 0.000 -4.582 -4.495 0.000 -4.345 -7.038 ./tmp/est_new/ligs/MFCD00010269.pdb 0.000 0.000 -1.401 -5.985 -3.791 0.000 -1.097 0.000 0.000 0.000 0.000 0.000 -2.161 -6.261 -4.837 -3.146 -4.665 -4.147 -1.625 -7.180 -0.933 -4.081 -0.198 -1.752 -1.614 0.000 -4.044 -11.155 ./tmp/est_new/ligs/MFCD00010275.pdb 0.000 0.000 0.000 0.000 -3.219 0.000 0.000 0.000 0.000 0.000 0.000 0.000 -3.133 -5.666 -6.120 -6.841 -3.994 -7.374 -4.979 -21.006 -4.230 -4.816 -0.607 -0.554 -1.277 -0.684 -0.924 -14.260 ./tmp/est_new/ligs/MFCD00010277.pdb 0.000 0.000 -3.486 0.000 0.000 0.000 -3.500 0.000 0.000 -2.627 0.000 0.000 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./tmp/est_new/ligs/MFCD00011665.pdb 0.465 0.321 0.000 0.000 0.000 0.000 0.000 -12.973 -10.500 0.000 -9.069 0.000 -3.373 -3.749 -6.399 -0.369 -0.034 -2.074 0.000 0.000 -2.782 -7.032 -3.523 -5.440 -2.863 -4.027 -1.528 -5.728 ./tmp/est_new/ligs/MFCD00011679.pdb 0.000 0.000 0.000 0.000 -2.848 0.000 -2.798 0.000 0.000 0.000 0.000 0.000 0.010 -6.447 -5.128 -9.355 -7.570 -6.049 -6.599 -13.365 -4.059 -6.431 -2.998 -3.081 -2.627 -1.694 -0.153 -8.819 ./tmp/est_new/ligs/MFCD00011694.pdb 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 -0.834 -4.823 -3.824 -3.923 -4.614 -2.661 -0.608 -7.680 -1.240 -2.834 -0.086 -0.203 -0.873 0.000 -5.386 -11.369 ./tmp/est_new/ligs/MFCD00011711.pdb 0.000 0.000 -2.500 0.000 0.000 -3.500 0.000 -1.028 0.000 0.000 0.000 0.000 -0.422 -5.970 -7.325 -3.915 -4.260 -4.205 -2.563 -4.380 -3.776 -6.164 -5.406 -4.978 -4.993 -2.574 0.000 -2.921 ./tmp/est_new/ligs/MFCD00011714.pdb 0.000 0.000 0.000 0.000 -3.500 0.000 0.000 0.000 0.000 0.000 0.000 0.000 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./tmp/est_new/ligs/MFCD00011772.pdb 0.384 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 -0.663 -5.219 -4.467 -3.466 -3.719 -2.785 -0.317 -2.588 -1.357 -3.992 -0.009 -2.570 -2.929 0.000 -3.312 -7.839 ./tmp/est_new/ligs/MFCD00011773.pdb 0.772 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 -1.324 -5.311 -6.369 -4.532 -4.478 -1.664 -0.327 -1.080 -0.522 -2.914 -0.072 -4.750 -4.656 -0.048 -2.475 -6.462 ./tmp/est_new/ligs/MFCD00011774.pdb 0.310 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 -1.642 -5.136 -6.041 -3.970 -3.665 -2.708 -0.304 -3.900 -0.559 -4.002 -0.041 -2.565 -2.607 0.000 -4.438 -8.118 ./tmp/est_new/ligs/MFCD00011775.pdb 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 -2.528 -5.485 -7.012 -4.878 -2.260 -1.429 -1.048 -4.393 -2.240 -2.321 -2.291 -2.997 -3.404 -2.960 -5.123 -10.921 ./tmp/est_new/ligs/MFCD00011776.pdb 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 -0.916 -7.649 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./tmp/est_new/ligs/MFCD00011795.pdb 0.311 0.000 0.000 -3.500 -5.501 0.000 0.000 0.000 0.000 0.000 0.000 0.000 -3.552 -10.182 -9.579 -6.394 0.331 -3.476 -0.608 -1.016 -0.880 -2.972 0.000 -1.337 -3.230 -0.268 -0.031 -4.362 ./tmp/est_new/ligs/MFCD00011796.pdb 0.277 0.000 0.000 -3.436 -4.479 0.000 0.000 0.000 0.000 0.000 0.000 0.000 -3.154 -10.452 -8.580 -5.387 -3.270 -3.978 -0.820 -1.427 -0.901 -2.972 0.000 -0.973 -3.157 -0.346 -0.053 -4.875 ./tmp/est_new/ligs/MFCD00011797.pdb 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 -1.699 -6.778 -6.841 -5.149 -4.650 -2.611 -0.267 -3.220 -0.978 -3.591 -0.349 -2.895 -3.213 -0.073 -4.673 -11.182 ./tmp/est_new/ligs/MFCD00011820.pdb 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 -4.603 -4.659 -3.433 -6.627 -3.937 -1.325 -1.321 -5.374 -3.751 -1.234 -0.771 0.000 -0.064 -1.876 -1.635 -15.475 ./tmp/est_new/ligs/MFCD00011831.pdb 0.387 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 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./tmp/est_new/ligs/MFCD00011850.pdb 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 -2.652 -6.933 -11.003 -3.244 -1.942 -2.128 -0.022 -0.368 -3.340 -4.050 -2.086 -6.120 -5.706 -1.298 -0.320 -5.144 ./tmp/est_new/ligs/MFCD00011852.pdb 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 -2.307 -6.538 -8.091 -3.536 -1.862 -2.675 -0.404 -1.686 -2.678 -4.448 -1.074 -3.565 -3.244 -1.977 -0.042 -4.554 ./tmp/est_new/ligs/MFCD00011853.pdb 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 -2.921 -5.324 -6.920 -3.080 -2.083 -0.747 -0.117 -0.492 -2.496 -3.019 -3.125 -5.112 -5.075 -2.460 -0.399 -4.643 ./tmp/est_new/ligs/MFCD00011856.pdb 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 -3.200 -6.624 -7.330 -4.927 -3.276 -2.419 -1.233 -1.944 -3.707 -4.984 -2.098 -3.981 -3.319 -1.162 -0.471 -7.791 ./tmp/est_new/ligs/MFCD00011857.pdb 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 -2.924 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./tmp/est_new/ligs/MFCD00011863.pdb 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 -2.319 -6.552 -4.085 -7.609 -5.901 -7.021 0.294 -12.403 -3.049 -2.316 -1.923 -3.920 -4.349 -2.669 -0.213 -6.209 ./tmp/est_new/ligs/MFCD00011885.pdb 0.000 0.000 0.000 0.000 0.000 0.000 0.000 -6.672 -6.379 0.000 0.000 0.000 -2.699 -1.376 -2.573 -0.030 0.000 -1.163 0.000 -0.240 -4.494 -7.059 -3.472 -5.463 -1.853 -2.918 -0.815 -4.525 ./tmp/est_new/ligs/MFCD00011886.pdb 0.000 0.000 0.000 0.000 0.000 0.000 0.000 -9.143 -6.752 0.000 -3.425 0.000 -2.548 -2.783 -7.239 -0.154 0.000 -1.348 0.000 -0.005 -3.760 -6.128 -3.210 -4.663 -4.349 -4.613 -0.083 -3.753 ./tmp/est_new/ligs/MFCD00011887.pdb 0.000 0.000 0.000 0.000 0.000 0.000 0.000 -9.883 -6.932 -2.788 0.000 0.000 -1.963 -2.475 -8.244 0.000 0.000 -0.421 0.000 -0.042 -2.227 -5.809 -2.992 -6.507 -6.548 -5.505 -0.131 -2.520 ./tmp/est_new/ligs/MFCD00011890.pdb 0.000 0.000 0.000 0.000 0.000 0.000 0.000 -10.410 -6.676 -3.500 0.000 0.000 -2.657 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./tmp/est_new/ligs/MFCD00011923.pdb 0.000 0.000 -3.500 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 -2.810 -7.276 -13.082 -3.547 -1.522 -2.807 0.000 0.000 -0.396 -1.665 -0.114 -3.600 -6.244 -1.166 0.000 -2.367 ./tmp/est_new/ligs/MFCD00011925.pdb 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 -0.207 -0.471 0.000 -2.637 -3.491 -3.441 -4.302 -21.220 0.000 -0.502 0.000 0.000 0.000 0.000 -5.347 -10.706 ./tmp/est_new/ligs/MFCD00011926.pdb 0.000 0.000 -1.398 0.000 -3.377 -3.500 0.000 -3.597 0.000 -3.499 0.000 0.000 -3.709 -4.699 -12.820 -7.513 -3.637 -2.850 -0.805 -0.823 -0.934 -2.833 -1.045 -4.075 -7.159 -2.163 -0.156 -2.201 ./tmp/est_new/ligs/MFCD00011927.pdb 0.000 0.000 -1.755 0.000 -3.488 -3.500 0.000 -5.000 0.000 -3.500 0.000 0.000 -4.119 -4.799 -10.204 -8.059 -1.170 -3.995 -1.379 -1.269 -1.915 -3.877 -2.024 -4.678 -6.076 -1.260 -0.205 -0.664 ./tmp/est_new/ligs/MFCD00011928.pdb 0.000 0.000 0.000 0.000 -3.500 0.000 -3.023 0.000 0.000 0.000 0.000 0.000 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./tmp/est_new/ligs/MFCD00012074.pdb 0.000 0.000 0.000 -0.870 0.000 0.000 -2.500 0.000 0.000 0.000 0.000 0.000 -0.276 -0.511 0.000 -3.837 -2.900 -3.204 -2.037 -7.277 -0.005 -0.456 0.000 0.000 0.000 0.000 -0.965 -4.018 ./tmp/est_new/ligs/MFCD00012076.pdb 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 -1.659 -2.276 -5.076 -6.288 -4.614 -3.490 -0.530 -5.664 -2.598 -5.553 -0.515 -3.428 -3.026 0.000 -0.690 -9.423 ./tmp/est_new/ligs/MFCD00012110.pdb 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 -5.825 -6.814 -7.418 -5.213 -3.561 -2.646 -0.847 -1.341 -1.338 -1.792 0.000 0.000 -0.206 -3.362 -0.735 -7.896 ./tmp/est_new/ligs/MFCD00012115.pdb 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 -0.587 -5.107 -5.193 -3.658 -2.906 -1.938 -0.397 -3.277 -0.844 -1.462 0.000 -1.453 -2.364 0.000 -6.385 -7.602 ./tmp/est_new/ligs/MFCD00012116.pdb 0.000 -2.605 0.000 0.000 0.000 0.000 -5.876 0.000 0.000 0.000 0.000 -3.500 -0.232 -3.379 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0.000 3.957 -8.787 -5.937 -7.258 -3.580 -3.934 -0.418 -3.087 -2.635 -7.471 0.089 -3.643 -1.976 0.000 0.000 -4.785 ./tmp/est_new/ligs/MFCD00012967.pdb 0.000 0.000 0.000 0.000 0.000 0.000 0.000 -6.997 -3.500 0.000 0.000 0.000 0.000 -1.329 -1.839 -0.605 0.000 -2.163 0.000 -0.042 -1.561 -7.560 -2.022 -4.030 -1.459 -0.174 0.000 0.000 ./tmp/est_new/ligs/MFCD00012969.pdb 0.000 0.000 0.000 0.000 -3.500 0.000 0.000 -3.500 -3.500 0.000 0.000 0.000 -2.564 -7.117 -4.615 -5.786 -3.480 -3.537 -0.032 -3.065 -2.199 -7.369 -1.274 -2.936 -1.308 0.000 0.000 -4.683 ./tmp/est_new/ligs/MFCD00013049.pdb -3.459 0.000 -2.890 0.000 0.000 -1.574 0.000 -2.500 0.000 -8.348 0.000 0.000 -4.261 -6.232 -14.101 -1.969 -0.381 -2.254 0.000 -0.056 -0.521 -3.940 -0.429 -5.227 -5.255 -4.666 -0.131 -3.520 ./tmp/est_new/ligs/MFCD00013050.pdb -0.604 0.000 0.000 0.000 0.000 0.000 0.000 -3.500 -3.500 -5.197 -1.923 -3.500 -5.342 -4.042 -6.107 -0.969 -0.415 -0.998 0.000 -0.099 -2.244 -6.601 -4.766 -5.439 -2.707 -4.780 -1.457 0.603 ./tmp/est_new/ligs/MFCD00013052.pdb 0.000 -0.282 0.000 -3.455 -2.432 0.000 0.000 0.000 0.000 -1.695 -2.390 0.000 1.196 -6.620 -6.644 -4.830 -3.419 -4.040 -0.424 0.163 -4.095 -5.596 -0.541 -3.803 -5.154 -3.757 -0.043 -9.014 ./tmp/est_new/ligs/MFCD00013054.pdb 2.112 0.000 0.000 0.000 0.000 0.000 0.000 -10.500 -7.000 0.000 0.000 0.000 0.000 -3.951 -7.443 -0.581 0.000 -1.616 0.000 -0.161 -0.354 -4.827 -0.536 -6.259 -6.644 -1.094 0.000 0.000 ./tmp/est_new/ligs/MFCD00013089.pdb 0.000 0.000 -3.500 0.000 0.000 0.000 0.000 -7.756 -6.000 -6.954 0.000 0.000 0.000 -2.505 -6.356 -0.533 0.000 -1.655 0.000 0.000 -0.251 -5.705 -0.740 -6.806 -6.286 -0.899 0.000 0.000 ./tmp/est_new/ligs/MFCD00013091.pdb -2.009 0.000 0.000 0.000 -3.500 0.000 0.000 0.000 0.000 -2.114 0.000 0.000 -2.189 -5.097 -3.835 -6.936 -1.661 -2.507 -0.666 -2.172 -2.251 -7.851 -3.551 -1.377 -2.587 0.000 -1.827 -4.710 ./tmp/est_new/ligs/MFCD00013093.pdb 0.000 0.000 -6.405 0.000 0.000 0.000 0.000 0.000 -3.500 -3.500 0.000 0.000 0.000 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./tmp/est_new/ligs/MFCD00013140.pdb 0.000 0.000 -3.500 0.000 0.000 0.000 0.000 0.000 -2.500 -3.500 0.000 0.000 -0.109 -3.877 -4.590 -1.286 -0.057 -2.702 0.000 0.000 -0.590 -4.817 -0.123 -3.454 -2.533 0.000 0.000 -0.031 ./tmp/est_new/ligs/MFCD00013144.pdb 0.000 0.000 -2.500 0.000 0.000 -3.500 0.000 -5.999 0.000 0.000 0.000 0.000 -0.301 -5.849 -5.999 -1.245 -0.034 -3.244 0.000 -1.507 -1.918 -5.448 -0.067 -3.290 -2.094 0.000 0.000 -1.065 ./tmp/est_new/ligs/MFCD00013147.pdb 0.000 0.000 -1.137 0.000 0.000 0.000 0.000 0.000 0.000 0.000 -3.377 -0.957 -4.677 -5.553 -11.656 -1.769 -0.176 -1.800 0.000 0.000 -1.203 -1.685 -0.766 -3.716 -5.650 -4.155 -0.917 -4.981 ./tmp/est_new/ligs/MFCD00013149.pdb 0.000 0.000 -3.500 0.000 0.000 0.000 0.000 -5.979 -3.500 0.000 0.000 0.000 -2.383 -3.600 -7.978 -0.819 -0.048 -2.634 0.000 0.000 -1.534 -7.270 -2.353 -4.842 -3.643 -6.083 -0.284 -1.377 ./tmp/est_new/ligs/MFCD00013150.pdb 0.000 0.000 -0.357 0.000 -3.500 0.000 0.000 -6.130 -3.288 0.000 0.000 0.000 -2.867 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./tmp/est_new/ligs/MFCD00013537.pdb 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 -3.771 -4.930 -10.252 -1.004 -0.529 -1.163 0.000 -0.263 -2.382 -1.834 -0.683 -3.641 -5.964 -3.964 -0.595 -5.508 ./tmp/est_new/ligs/MFCD00013542.pdb 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 -2.384 -4.698 -4.934 -4.221 -4.550 -0.914 -0.360 -2.319 -2.533 -3.372 -3.528 -4.824 -3.769 -0.271 -3.740 -9.389 ./tmp/est_new/ligs/MFCD00013543.pdb 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 -0.915 -5.035 -4.890 -5.625 -3.468 -5.120 -2.390 -17.426 -0.602 -1.951 0.000 -1.329 -2.269 0.000 -3.846 -8.305 ./tmp/est_new/ligs/MFCD00013554.pdb 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 -3.283 -3.792 -0.361 0.000 -1.720 0.000 0.000 -1.384 -4.823 -3.206 -6.001 -5.184 -1.203 0.000 0.000 ./tmp/est_new/ligs/MFCD00013561.pdb 0.000 0.000 0.000 -3.460 -2.276 0.000 0.000 0.000 0.000 0.000 0.000 0.000 -1.994 -6.623 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./tmp/est_new/ligs/MFCD00013630.pdb 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 1.595 -6.386 -7.396 -4.625 -2.907 -1.399 -0.043 -3.054 -2.905 1.472 -4.862 -5.259 -4.158 -4.633 -0.649 -9.542 ./tmp/est_new/ligs/MFCD00013631.pdb 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 -1.866 -1.907 -4.589 -0.257 0.000 -0.967 0.000 -0.336 -2.774 -3.840 -3.377 -5.853 -4.965 -4.427 -0.616 -5.118 ./tmp/est_new/ligs/MFCD00013637.pdb 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 -4.077 -5.974 -9.247 -4.092 -2.789 -1.249 -0.190 -2.813 -2.905 -5.055 -2.364 -6.283 -5.219 -5.818 -0.759 -7.527 ./tmp/est_new/ligs/MFCD00013687.pdb 0.000 0.000 0.000 -3.420 -2.500 0.000 0.000 0.000 0.000 0.000 0.000 0.000 -4.618 -6.264 -5.851 -4.928 -4.076 -2.936 -1.451 -4.142 -1.447 -3.631 -0.966 -1.559 -0.996 -2.293 -0.742 -9.544 ./tmp/est_new/ligs/MFCD00013712.pdb 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 -2.448 -3.075 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./tmp/est_new/ligs/MFCD00014920.pdb 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 -4.342 -5.786 -7.373 -3.816 -2.304 -1.264 -0.283 -2.810 -4.714 -4.764 -3.702 -5.656 -3.227 -4.370 -0.588 -8.683 ./tmp/est_new/ligs/MFCD00014960.pdb 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 -2.364 -3.961 -4.235 -4.348 -3.724 -0.727 -0.522 -5.391 -1.599 -0.212 -1.034 -0.048 -0.668 -2.654 -4.873 -12.297 ./tmp/est_new/ligs/MFCD00015057.pdb 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 -1.322 -6.925 -7.962 -4.696 -2.127 -3.891 -4.085 -5.173 -3.109 -4.063 -3.314 -4.181 -3.594 -3.645 -0.340 -7.003 ./tmp/est_new/ligs/MFCD00015058.pdb 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 -0.381 -1.621 -0.150 -0.968 -2.922 -1.257 -2.714 -12.031 -0.099 -0.032 0.000 0.000 0.000 0.000 -4.844 -6.665 ./tmp/est_new/ligs/MFCD00015059.pdb 0.000 0.000 0.000 0.000 -2.352 0.000 0.000 0.000 0.000 0.000 0.000 0.000 -0.782 -4.957 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./tmp/est_new/ligs/MFCD00015070.pdb 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 -2.263 -4.791 -7.044 -3.518 -2.029 -2.281 -0.524 -8.445 -2.377 -2.088 -1.712 -0.489 -4.062 -5.558 -4.663 -10.326 ./tmp/est_new/ligs/MFCD00015072.pdb 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 -3.250 -3.144 -3.277 -4.130 -3.759 -0.462 -2.182 -6.794 -0.182 -0.016 -0.066 0.000 0.000 -1.829 -3.906 -12.595 ./tmp/est_new/ligs/MFCD00015205.pdb 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 -4.139 -5.687 -9.769 -2.285 -1.506 -1.508 -0.107 -1.076 -4.713 -1.218 -3.705 -2.136 -4.592 -6.242 -0.303 -7.296 ./tmp/est_new/ligs/MFCD00015235.pdb 0.000 0.000 0.000 0.000 0.000 0.000 -3.500 0.000 0.000 0.000 0.000 0.000 -1.261 -3.486 -0.941 -5.705 -7.300 -4.566 -6.660 -11.887 -1.237 -1.369 0.000 0.000 0.000 0.000 -3.040 -10.334 ./tmp/est_new/ligs/MFCD00015266.pdb 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 -1.761 -5.144 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0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 -0.135 -0.007 0.000 ./tmp/est_new/ligs/MFCD00016817.pdb 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 1.037 0.000 0.000 0.000 0.000 0.000 ./tmp/est_new/ligs/MFCD00016823.pdb 0.000 -1.658 0.000 0.000 -2.500 0.000 0.000 0.000 0.000 0.000 0.000 -0.574 -6.482 -6.320 -9.289 -5.198 -5.761 -1.016 -0.679 -1.992 -1.001 -3.210 -0.935 -5.203 -5.220 -2.792 -0.964 -11.757 ./tmp/est_new/ligs/MFCD00016865.pdb 0.000 0.000 -2.450 0.000 0.000 -3.422 0.000 -2.262 0.000 0.000 0.000 0.000 -0.146 -3.173 -5.789 -0.854 -0.140 -2.186 0.000 0.000 -1.322 -5.725 -2.100 -4.112 -3.621 -1.388 0.000 0.000 ./tmp/est_new/ligs/MFCD00016874.pdb 0.000 0.000 0.000 0.000 -5.810 0.000 0.000 0.000 0.000 0.000 0.000 0.000 3.830 -8.088 -6.233 -7.406 -6.991 -3.772 -1.276 -2.328 -2.432 -6.237 -1.066 -3.724 -2.281 0.000 -2.446 -9.522 ./tmp/est_new/ligs/MFCD00016879.pdb 0.000 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./tmp/est_new/ligs/MFCD00016949.pdb 0.000 0.000 0.000 0.000 -2.500 0.000 -3.805 0.000 0.000 0.000 0.000 0.000 -2.939 -5.927 -5.059 -9.034 -6.364 -4.511 -5.067 -8.347 -3.318 -1.619 -2.555 -0.912 -1.949 -3.316 0.000 -7.810 ./tmp/est_new/ligs/MFCD00016960.pdb 0.000 0.000 -2.942 0.000 -1.876 0.000 -0.617 0.000 0.000 0.000 0.000 0.000 -5.735 -3.839 -10.465 -8.809 -5.767 -7.637 -6.226 -14.944 -1.110 -3.099 -0.421 -0.791 -2.013 -3.394 -0.983 -10.072 ./tmp/est_new/ligs/MFCD00016962.pdb 0.000 0.000 -2.297 0.000 0.000 -3.500 0.000 -2.500 -2.500 0.000 -2.492 -3.500 -3.090 -3.814 -8.314 -0.388 0.000 -1.642 0.000 0.000 -3.396 -5.223 -1.989 -4.827 -3.889 -5.253 -0.469 -3.958 ./tmp/est_new/ligs/MFCD00017051.pdb 0.000 0.000 0.000 0.000 0.000 0.000 0.000 -12.303 -7.000 -7.000 0.000 0.000 0.000 -4.761 3.783 -0.792 0.000 -2.869 0.000 -0.232 -0.531 -5.668 0.000 -2.055 -6.045 0.000 0.000 -0.038 ./tmp/est_new/ligs/MFCD00017058.pdb 0.000 0.000 0.000 0.000 0.000 0.000 0.000 -11.845 -6.142 -2.728 0.000 0.000 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./tmp/est_new/ligs/MFCD00017295.pdb 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 -0.033 0.000 0.000 -0.286 -2.053 0.000 -0.897 -5.731 0.000 0.000 0.000 0.000 0.000 0.000 -5.795 -4.301 ./tmp/est_new/ligs/MFCD00017296.pdb 0.000 0.000 0.000 0.000 0.000 0.000 -2.476 0.000 0.000 0.000 0.000 0.000 -4.840 -6.924 -7.591 -9.248 -5.284 -5.572 -5.101 -11.824 -2.634 -2.228 -3.295 -1.168 -2.288 -4.590 -0.281 -4.469 ./tmp/est_new/ligs/MFCD00017308.pdb 0.000 0.000 -2.500 0.000 0.000 -3.500 0.000 -2.500 -2.500 0.000 -0.956 -3.500 -2.851 -3.596 -6.605 -0.413 0.000 -1.290 0.000 0.000 -4.473 -5.671 -3.300 -2.791 -3.043 -1.028 -0.887 -4.673 ./tmp/est_new/ligs/MFCD00017310.pdb 0.000 0.000 -2.457 0.000 0.000 -3.500 0.000 -2.500 -2.500 0.000 0.000 -3.491 -2.307 -3.541 -5.827 -0.409 0.000 -1.588 0.000 -0.039 -6.204 -6.300 -1.431 -3.501 -2.256 0.762 -0.979 -5.651 ./tmp/est_new/ligs/MFCD00017311.pdb 0.000 0.000 0.000 0.000 -2.343 0.000 0.000 -4.025 -1.996 -3.106 0.000 0.000 -2.714 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./tmp/est_new/ligs/MFCD00020032.pdb 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 -3.500 -3.378 -5.791 -7.925 -0.809 -0.012 -1.986 0.000 -1.141 -4.321 -4.562 -1.210 -3.869 -4.468 -1.601 -1.160 -6.522 ./tmp/est_new/ligs/MFCD00020049.pdb 0.000 0.000 -1.050 0.000 0.000 0.000 0.000 0.000 0.000 -6.727 0.000 0.000 -0.153 -3.969 -9.140 -0.975 -0.169 -1.328 0.000 0.000 -0.345 -3.249 -0.071 -6.168 -6.848 -1.085 0.000 -0.011 ./tmp/est_new/ligs/MFCD00020081.pdb 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 -2.717 -2.428 -5.802 -0.071 0.000 -1.355 0.000 0.000 -3.252 -4.297 -4.195 -6.078 -5.181 -4.963 -0.789 -4.120 ./tmp/est_new/ligs/MFCD00020082.pdb 0.000 0.000 -3.771 -3.500 -1.337 0.000 0.000 0.000 0.000 0.000 0.000 0.000 -2.501 -6.248 -6.227 -6.073 0.273 -3.370 -0.285 -3.161 -1.601 -5.062 -0.326 -3.181 -3.585 0.000 -0.032 -6.046 ./tmp/est_new/ligs/MFCD00020085.pdb 0.000 0.000 -5.931 0.000 0.000 -1.003 0.000 0.000 0.000 0.000 0.000 0.000 -2.353 -7.660 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./tmp/est_new/ligs/MFCD00020109.pdb 0.000 0.000 -3.740 -3.111 -0.858 0.000 0.000 -2.500 0.000 -2.846 0.000 0.000 -1.963 -7.391 -8.464 -6.332 -2.237 -3.708 -0.459 -3.388 -0.884 -3.055 0.000 -3.091 -3.900 -0.115 0.000 -5.599 ./tmp/est_new/ligs/MFCD00020113.pdb 0.000 0.000 -2.255 0.000 0.000 0.000 0.000 -4.616 -1.976 -4.463 0.000 -3.226 -2.733 -2.150 -5.269 -0.142 -0.001 -1.366 0.000 -0.166 -4.398 -8.212 -3.216 -5.723 -2.382 -1.079 -0.797 -7.074 ./tmp/est_new/ligs/MFCD00020115.pdb 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 -3.500 0.000 0.000 -1.123 -5.274 -4.933 -7.015 -4.873 -2.854 -3.561 -5.383 -2.376 -5.151 -0.981 -5.906 -5.199 0.000 0.000 -4.924 ./tmp/est_new/ligs/MFCD00020130.pdb 0.000 0.000 -6.000 0.000 0.000 -3.500 0.000 -0.594 0.000 0.000 0.000 0.000 -1.349 -6.387 -7.457 -2.771 -0.997 -2.833 0.000 0.000 -1.437 -5.327 -1.454 -1.630 -2.492 0.000 0.000 -0.987 ./tmp/est_new/ligs/MFCD00020131.pdb 0.000 0.000 -3.475 0.000 0.000 0.000 0.000 -0.417 -2.390 -3.500 0.000 0.000 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