************************************************************************
********** REPORT OF PROTEIN ANALYSIS  by the WHAT IF program **********
************************************************************************

Date : 2025-03-21
This report was created by WHAT IF version WHATCHECK15.0

This document is a WHAT_CHECK 14.0 report for a PDB-file. Each reported
fact has an assigned severity, one of:

error  : Items marked as errors are considered severe problems requiring
         immediate attention.
warning: Either less severe problems or uncommon structural features. These
         still need special attention.
note   : Statistical values, plots, or other verbose results of tests and
         analyses that have been performed.

If alternate conformations are present, only the first is evaluated. Hydrogen
atoms are only included if explicitly requested, and even then they are not
used in all checks. The software functions less well for non-canonical amino
acids and exotic ligands than for the 20 canonical residues and canonical
nucleic acids.

Some remarks regarding the output:

Residues/atoms in tables are normally given in a few parts:

A number. This is the internal sequence number of the residue used by WHAT IF.
    The first residues in the file get number 1, 2, etc.
The residue type. Normally this is a three letter amino acid type.
The sequence number, between brackets. This is the residue number as it was
    given in the input file. It can be followed by the insertion code.
The chain identifier. A single character. If no chain identifier was given in
    the input file, this will be a minus sign or a blank.
A model number. If no model number exists, like in most X-ray files, this will
    be a blank or occasionally a minus sign.
In case an atom is part of the output, the atom will be listed using the PDB
    nomenclature for type and identifier.

To indicate the normality of a score, the score may be expressed as a Z-value
   or Z-score. This is just the number of standard deviations that the score
   deviates from the expected value. A property of Z-values is that the
   root-mean-square of a group of Z-values (the RMS Z-value) is expected to be
   1.0. Z-values above 4.0 and below -4.0 are very uncommon. If a Z-score is
   used in WHAT IF, the accompanying text will explain how the expected value
   and standard deviation were obtained.
The names of nucleic acids are DGUA, DTHY, OCYT, OADE, etc. The first character
   is a D or O for DNA or RNA respectively. This circumvents ambiguities in the
   many old PDB files in which DNA and RNA were both called A, C, G, and T.



=========================================
==== Compound code /zata/tempdir/4zpt/wctemf/4zpt_final.pdb         ====
=========================================
 
# 1 # Note: Introduction
WHAT CHECK needs to read a PDB file before it can check it. It does a
series of checks upon reading the file. The results of these checks are
reported in this section (section 2.1). The rest of the report will be more
systematic in that section 2.2 reports on administrative problems. Section
2.3 gives descriptive output that is not directly validating things but
more telling you how WHAT CHECK interpreted the input file. Section 2.4
looks at B-factors, occupancies, and the presence/absence of (spurious)
atoms. Section 2.5 deals with nomenclature problems. Section 2.6 deals with
geometric problems like bond lengths and bond angles. Section 2.7 deals with
torsion angle issues. Section 2.8 looks at atomic clashes. Section 2.9 deals
with packing, accessibility, etc, issues. Section 2.10 deals with hydrogen
bonds, ion packing, and other things that can be summarized under the common
name charge-charge interactions. Section 2.11 gives a summary of whole report
and tells you (if applicable) which symmetry matrices were used. Section 2.12
tells the crystallographer which are the things most in need of manual
correction. And the last section, section 2.13, lists all residues sorted
by their need for visual inspection in light of the electron density.
WARNING. Date error on HEADER card:
HEADER                                                        4ZPT
ATOM  *****  O   HOH A 302     -19.679  25.865 -69.558  1.00 42.24       302 O
ATOM  *****  O   HOH A 303       0.955  18.905 -60.478  1.00 35.16       303 O
ATOM  *****  O   HOH A 304     -12.158  33.812 -79.957  1.00 46.99       304 O
ATOM  *****  O   HOH A 305      -6.066  34.080 -91.678  1.00 51.57       305 O
ATOM  *****  O   HOH A 306     -29.770  28.643-100.465  1.00 42.75       306 O
ATOM  *****  O   HOH A 307       1.707  37.317 -55.262  1.00 33.27       307 O
ATOM  *****  O   HOH A 308     -31.628  31.342 -91.192  1.00 34.94       308 O
ATOM  *****  O   HOH A 309     -31.715  39.066 -81.338  1.00 27.97       309 O
ATOM  *****  O   HOH A 311       7.363  31.000 -54.801  1.00 31.43       311 O
ATOM  *****  O   HOH A 312      -2.957  20.431 -67.441  1.00 45.89       312 O
ATOM  *****  O   HOH A 313     -35.091  32.110 -80.018  1.00 41.12       313 O
ATOM  *****  O   HOH A 314     -24.017  37.119 -91.922  1.00 26.02       314 O
ATOM  *****  O   HOH A 315      -2.475  25.667 -67.825  1.00 33.49       315 O
ATOM  *****  O   HOH A 316     -17.858  32.386 -74.258  1.00 40.82       316 O
ATOM  *****  O   HOH A 318     -18.465  39.625 -70.683  1.00 43.72       318 O
ATOM  *****  O   HOH A 320      -1.375  29.466 -49.501  1.00 30.31       320 O
ATOM  *****  O   HOH A 323     -28.816  33.255 -95.859  1.00 30.52       323 O
ATOM  *****  O   HOH A 324      -0.275  20.244 -68.365  1.00 36.12       324 O
ATOM  *****  O   HOH A 326     -29.448  36.528 -88.571  1.00 35.06       326 O
ATOM  *****  O   HOH A 328       0.347  39.793 -56.695  1.00 42.30       328 O
ATOM  *****  O   HOH A 329     -22.630  36.765 -98.636  1.00 36.13       329 O
ATOM  *****  O   HOH A 330      -7.334  29.468 -85.591  1.00 45.20       330 O
ATOM  *****  O   HOH A 331       0.799  34.270 -68.506  1.00 36.11       331 O
ATOM  *****  O   HOH A 332      11.131  20.129 -60.512  1.00 45.04       332 O
ATOM  *****  O   HOH A 334      -0.883  37.393 -65.289  1.00 40.90       334 O
ATOM  *****  O   HOH A 335     -25.094  24.407 -75.277  1.00 18.43       335 O
ATOM  *****  O   HOH A 336       7.274  13.687 -51.912  1.00 49.67       336 O
ATOM  *****  O   HOH A 337     -21.641  41.427 -67.989  1.00 32.70       337 O
ATOM  *****  O   HOH A 338     -19.122  18.323 -95.327  1.00 10.63       338 O
ATOM  *****  O   HOH A 339     -30.176  26.085 -80.989  1.00 31.85       339 O
ATOM  *****  O   HOH A 340       5.094  34.710 -71.344  1.00 34.46       340 O
ATOM  *****  O   HOH A 341      -8.906  24.199 -67.609  1.00 42.37       341 O
ATOM  *****  O   HOH A 342      -6.012  24.881-101.144  1.00 48.95       342 O
ATOM  *****  O   HOH A 343       2.398  27.308 -67.277  1.00 35.23       343 O
ATOM  *****  O   HOH A 344      -2.366  24.136 -95.325  1.00 52.43       344 O
ATOM  *****  O   HOH A 345     -15.831  23.904-101.810  1.00 38.02       345 O
ATOM  *****  O   HOH A 346       4.313  16.235 -54.156  1.00 28.16       346 O
ATOM  *****  O   HOH A 348     -26.490  40.985 -74.597  1.00 30.24       348 O
ATOM  *****  O   HOH A 349     -14.441  41.427 -88.828  1.00 41.82       349 O
ATOM  *****  O   HOH A 350     -19.057  26.048-103.389  1.00 29.99       350 O
ATOM  *****  O   HOH A 351      -6.677  27.605-103.245  1.00 34.14       351 O
ATOM  *****  O   HOH A 352     -26.460  35.535 -96.555  1.00 38.87       352 O
ATOM  *****  O   HOH A 353       8.484  22.876 -67.197  1.00 40.26       353 O
ATOM  *****  O   HOH A 354     -32.564  20.568 -89.982  1.00 29.80       354 O
ATOM  *****  O   HOH A 355     -12.830  32.328 -77.458  1.00 39.27       355 O
ATOM  *****  O   HOH A 356     -17.220  32.382-105.919  1.00 33.93       356 O
ATOM  *****  O   HOH A 357     -16.308  39.613 -85.261  1.00 32.52       357 O
ATOM  *****  O   HOH A 358       5.459  34.834 -63.430  1.00 16.11       358 O
ATOM  *****  O   HOH A 359       1.579  19.851 -51.328  1.00 35.67       359 O
ATOM  *****  O   HOH A 360     -18.454  24.589 -53.444  1.00 40.13       360 O
ATOM  *****  O   HOH A 361     -11.514  22.568 -59.796  1.00 36.97       361 O
ATOM  *****  O   HOH A 362       9.669  36.797 -56.809  1.00 40.36       362 O
ATOM  *****  O   HOH A 363     -24.171  43.087 -86.398  1.00 53.85       363 O
ATOM  *****  O   HOH A 364     -31.402  26.797-107.554  1.00 37.29       364 O
ATOM  *****  O   HOH A 365       2.128  36.291 -67.301  1.00 32.68       365 O
ATOM  *****  O   HOH A 366     -14.412  34.222 -54.690  1.00 48.14       366 O
ATOM  *****  O   HOH A 367     -25.084  41.941 -83.596  1.00 43.91       367 O
ATOM  *****  O   HOH A 368     -19.566  41.863 -95.847  1.00 54.54       368 O
ATOM  *****  O   HOH A 369     -25.875  39.129 -91.562  1.00 31.84       369 O
ATOM  *****  O   HOH A 370       7.422  37.027 -59.006  1.00 41.23       370 O
ATOM  *****  O   HOH A 371      -1.674  30.180 -44.344  1.00 43.03       371 O
ATOM  *****  O   HOH A 372     -17.478  32.153 -55.799  1.00 43.59       372 O
ATOM  *****  O   HOH A 375       3.597  38.948 -54.472  1.00 39.52       375 O
ATOM  *****  O   HOH B 302     -21.007  15.463 -99.984  1.00 31.54       302 O
ATOM  *****  O   HOH B 303      -2.426  11.202 -84.725  1.00 31.88       303 O
ATOM  *****  O   HOH B 304      -2.345  12.972 -65.167  1.00 43.55       304 O
ATOM  *****  O   HOH B 305     -10.645  14.367 -40.682  1.00 32.14       305 O
ATOM  *****  O   HOH B 306      -2.841   7.026 -46.786  1.00 34.99       306 O
ATOM  *****  O   HOH B 307      -8.112   4.050 -96.297  1.00 25.76       307 O
ATOM  *****  O   HOH B 308     -27.221   5.374 -86.737  1.00 34.47       308 O
ATOM  *****  O   HOH B 309     -12.717   3.266 -57.612  1.00 37.54       309 O
ATOM  *****  O   HOH B 310     -21.081  14.972 -81.854  1.00 30.34       310 O
ATOM  *****  O   HOH B 311      -7.897  21.545 -89.504  1.00 30.31       311 O
ATOM  *****  O   HOH B 313     -19.175  16.407 -56.403  1.00 41.49       313 O
ATOM  *****  O   HOH B 314      -2.666  -1.233 -66.076  1.00 36.07       314 O
ATOM  *****  O   HOH B 315     -17.571  12.305 -98.193  1.00 38.25       315 O
ATOM  *****  O   HOH B 316      -6.255  -2.250 -93.730  1.00 29.90       316 O
ATOM  *****  O   HOH B 317     -24.773  18.529 -87.348  1.00 26.94       317 O
ATOM  *****  O   HOH B 318     -21.033  20.500 -55.696  1.00 28.75       318 O
ATOM  *****  O   HOH B 319     -21.297   7.993-103.962  1.00 28.45       319 O
ATOM  *****  O   HOH B 320     -14.922   4.882 -93.297  1.00 19.67       320 O
ATOM  *****  O   HOH B 321     -12.001  21.198 -57.744  1.00 18.36       321 O
ATOM  *****  O   HOH B 322     -29.232  14.421 -92.142  1.00 30.14       322 O
ATOM  *****  O   HOH B 323      -3.322  37.025 -46.064  1.00 43.42       323 O
ATOM  *****  O   HOH B 324      -3.909  -3.496 -57.711  1.00 58.65       324 O
ATOM  *****  O   HOH B 326      -5.150   1.826 -91.163  1.00 37.79       326 O
ATOM  *****  O   HOH B 327     -23.061   8.660 -82.243  1.00 28.48       327 O
ATOM  *****  O   HOH B 328     -26.112  11.982 -85.365  1.00 33.73       328 O
ATOM  *****  O   HOH B 329     -15.167  10.155 -56.495  1.00 39.91       329 O
ATOM  *****  O   HOH B 330      -6.492  16.570 -84.819  1.00 45.63       330 O
ATOM  *****  O   HOH B 332     -22.402  16.173 -46.619  1.00 17.89       332 O
ATOM  *****  O   HOH B 333     -22.805   2.971-100.011  1.00 37.32       333 O
ATOM  *****  O   HOH B 334     -29.540  17.196 -99.073  1.00 35.20       334 O
ATOM  *****  O   HOH B 335      -7.912  17.800 -69.342  1.00 45.39       335 O
ATOM  *****  O   HOH B 336     -18.014  14.272 -78.075  1.00 40.05       336 O
ATOM  *****  O   HOH B 337     -13.161  16.386 -77.566  1.00 41.87       337 O
ATOM  *****  O   HOH B 338     -20.327   7.810 -79.219  1.00 40.53       338 O
ATOM  *****  O   HOH B 339      -0.377  -2.854 -63.745  1.00 41.82       339 O
ATOM  *****  O   HOH B 340     -26.981   7.943 -82.792  1.00 35.90       340 O
ATOM  *****  O   HOH B 341      -6.179  27.346 -41.779  1.00 36.21       341 O
ATOM  *****  O   HOH B 342      -6.185  15.873 -99.701  1.00 23.79       342 O
ATOM  *****  O   HOH B 343     -25.577  -1.058 -95.050  1.00 38.09       343 O
ATOM  *****  O   HOH B 344     -14.500  14.147 -76.597  1.00 33.82       344 O
ATOM  *****  O   HOH B 345     -20.295  16.024 -42.211  1.00 38.16       345 O
ATOM  *****  O   HOH B 346       1.067  15.795 -49.724  1.00 44.39       346 O
ATOM  *****  O   HOH B 347      -0.713  17.398 -48.678  1.00 28.90       347 O
ATOM  *****  O   HOH B 348       3.644   7.134 -71.816  1.00 37.69       348 O
ATOM  *****  O   HOH B 349      -1.622  31.037 -47.300  1.00 33.37       349 O
ATOM  *****  O   HOH B 350       5.190  -1.584 -83.607  1.00 41.65       350 O
ATOM  *****  O   HOH B 351     -24.957  16.474 -85.693  1.00 26.86       351 O
ATOM  *****  O   HOH B 352       2.734   6.519 -90.415  1.00 55.80       352 O
ATOM  *****  O   HOH B 353     -20.043  25.694 -51.608  1.00 37.58       353 O
ATOM  *****  O   HOH B 354       6.795  -0.180 -85.180  1.00 44.08       354 O
ATOM  *****  O   HOH B 355       3.415   5.250 -70.048  1.00 42.77       355 O
ATOM  *****  O   HOH R 702     -27.619  -0.614-115.103  1.00 48.51       702 O
ATOM  *****  O   HOH R 703     -26.106  26.360-108.795  1.00 34.53       703 O
ATOM  *****  O   HOH R 704     -27.953  14.515-112.299  1.00 29.70       704 O
ATOM  *****  O   HOH R 705      -1.468  12.651-110.733  1.00 39.07       705 O
ATOM  *****  O   HOH R 707     -19.832   9.070-112.402  1.00 29.28       707 O
ATOM  *****  O   HOH R 709     -29.540  14.209-105.682  1.00 30.66       709 O
ATOM  *****  O   HOH R 710     -35.454  12.452-117.224  1.00 39.25       710 O
ATOM  *****  O   HOH R 711     -15.764  25.186-115.598  1.00 48.62       711 O
ATOM  *****  O   HOH R 712     -17.131  13.189-102.265  1.00 24.53       712 O
ATOM  *****  O   HOH R 713     -35.461   7.745-104.336  1.00 26.50       713 O
ATOM  *****  O   HOH R 714     -31.301  25.843-115.227  1.00 41.94       714 O
ATOM  *****  O   HOH R 716     -27.477  -9.095-105.604  1.00 40.75       716 O
ATOM  *****  O   HOH R 717      -9.678  11.284-103.988  1.00 32.32       717 O
ATOM  *****  O   HOH R 718     -27.153  13.374-104.511  1.00 31.53       718 O
ATOM  *****  O   HOH R 719     -36.888  21.163-105.457  1.00 37.92       719 O
ATOM  *****  O   HOH R 720     -18.945   0.660-110.949  1.00 35.77       720 O
ATOM  *****  O   HOH R 721     -24.843   2.896-105.927  1.00 40.21       721 O
ATOM  *****  O   HOH R 722     -35.451 -16.763-109.114  1.00 60.73       722 O
ATOM  *****  O   HOH R 723     -33.274  10.741 -99.089  1.00 38.96       723 O
ATOM  *****  O   HOH R 724     -29.471  10.501-103.006  1.00 43.39       724 O
ATOM  *****  O   HOH R 725      -5.881  18.280-100.668  1.00 14.36       725 O
ATOM  *****  O   HOH R 726       2.278  16.563-105.783  1.00 42.82       726 O
ATOM  *****  O   HOH R 727     -17.060   2.316-110.235  1.00 32.09       727 O
ATOM  *****  O   HOH R 728     -33.598   6.706-102.748  1.00 38.67       728 O
ATOM  *****  O   HOH R 729     -12.616  20.970-102.910  1.00 23.76       729 O
ATOM  *****  O   HOH H 302     -36.139  15.098 -18.187  1.00 40.45       302 O
ATOM  *****  O   HOH H 303     -28.917  37.740 -17.243  1.00 34.60       303 O
ATOM  *****  O   HOH H 304     -24.920  19.490 -10.586  1.00 40.69       304 O
ATOM  *****  O   HOH H 305     -26.097  13.688  -6.229  1.00 28.06       305 O
ATOM  *****  O   HOH H 306     -25.799  25.804 -39.021  1.00 42.36       306 O
ATOM  *****  O   HOH H 307     -32.721  38.769 -38.220  1.00 43.03       307 O
ATOM  *****  O   HOH H 308     -53.191  21.095 -53.671  1.00 33.16       308 O
ATOM  *****  O   HOH H 309     -45.419   7.956 -53.691  1.00 38.75       309 O
ATOM  *****  O   HOH H 310     -45.803   5.207 -51.750  1.00 51.47       310 O
ATOM  *****  O   HOH H 311     -47.168   3.746 -60.452  1.00 64.84       311 O
ATOM  *****  O   HOH H 313     -30.847  31.838 -34.980  1.00 36.48       313 O
ATOM  *****  O   HOH H 314     -19.702  34.378 -10.801  1.00 41.91       314 O
ATOM  *****  O   HOH H 315     -54.519  22.942 -48.628  1.00 38.27       315 O
ATOM  *****  O   HOH H 316     -15.632  38.150 -28.129  1.00 42.80       316 O
ATOM  *****  O   HOH H 317     -36.832  19.376 -24.181  1.00 36.64       317 O
ATOM  *****  O   HOH H 318     -24.971  22.898 -13.702  1.00 36.81       318 O
ATOM  *****  O   HOH H 319     -14.384  26.403 -18.265  1.00 42.10       319 O
ATOM  *****  O   HOH H 320     -38.787  11.476 -41.224  1.00 36.35       320 O
ATOM  *****  O   HOH H 321     -14.497  27.203 -21.210  1.00 45.70       321 O
ATOM  *****  O   HOH H 322     -50.929  28.351 -41.739  1.00 54.06       322 O
ATOM  *****  O   HOH H 323     -38.915  27.593 -27.013  1.00 39.88       323 O
ATOM  *****  O   HOH H 324     -52.744  29.874 -43.661  1.00 48.29       324 O
ATOM  *****  O   HOH H 325     -56.782  22.608 -57.749  1.00 43.22       325 O
ATOM  *****  O   HOH H 327     -33.460  22.440 -40.487  1.00 38.73       327 O
ATOM  *****  O   HOH H 328     -32.673  33.984 -50.989  1.00 40.74       328 O
ATOM  *****  O   HOH H 329     -35.128  29.718 -32.183  1.00 45.95       329 O
ATOM  *****  O   HOH H 330     -57.319  25.315 -51.194  1.00 35.32       330 O
ATOM  *****  O   HOH H 331     -41.951  32.372 -51.670  1.00 44.61       331 O
ATOM  *****  O   HOH H 332     -40.593  19.826 -19.324  1.00 39.42       332 O
ATOM  *****  O   HOH H 333     -45.356  10.576 -56.476  1.00 54.22       333 O
ATOM  *****  O   HOH H 334     -36.640  37.199 -24.474  1.00 43.14       334 O
ATOM  *****  O   HOH H 335     -38.395  33.655 -29.363  1.00 40.68       335 O
ATOM  *****  O   HOH H 336     -15.160  35.045 -22.474  1.00 56.57       336 O
ATOM  *****  O   HOH H 337     -47.348  18.915 -41.111  1.00 31.50       337 O
ATOM  *****  O   HOH H 338     -37.421  30.384 -30.113  1.00 39.45       338 O
ATOM  *****  O   HOH H 339     -48.761  33.124 -48.603  1.00 48.25       339 O
ATOM  *****  O   HOH H 340     -18.875  24.557 -20.619  1.00 33.69       340 O
ATOM  *****  O   HOH H 341     -26.559  42.810 -34.378  1.00 45.14       341 O
ATOM  *****  O   HOH H 342     -52.831  25.392 -45.297  1.00 29.96       342 O
ATOM  *****  O   HOH H 343     -41.634  22.099  -6.895  1.00 28.03       343 O
ATOM  *****  O   HOH H 344     -34.375  36.921  -8.114  1.00 32.92       344 O
ATOM  *****  O   HOH H 345     -42.659  34.239 -39.255  1.00 53.09       345 O
ATOM  *****  O   HOH H 346     -29.981  29.545 -52.279  1.00 39.97       346 O
ATOM  *****  O   HOH H 347     -40.526  21.876 -21.336  1.00 40.78       347 O
ATOM  *****  O   HOH H 348     -34.039  33.176 -35.834  1.00 45.77       348 O
ATOM  *****  O   HOH H 351     -42.966  32.543 -36.880  1.00 46.63       351 O
ATOM  *****  O   HOH H 352     -39.830  20.451 -23.997  1.00 49.01       352 O
ATOM  *****  O   HOH H 353     -31.814  31.405 -52.988  1.00 40.10       353 O
ATOM  *****  O   HOH H 354     -43.816  37.257 -38.956  1.00 53.81       354 O
ATOM  *****  O   HOH H 355     -49.220  29.887 -38.165  1.00 74.76       355 O
ATOM  *****  O   HOH H 356     -40.367  35.252 -28.269  1.00 54.44       356 O
ATOM  *****  O   HOH H 357     -51.947  29.846 -38.275  1.00 42.97       357 O
ATOM  *****  O   HOH S 702     -32.429   9.010  -4.824  1.00 35.83       702 O
ATOM  *****  O   HOH S 703     -31.431  18.326 -10.237  1.00 35.77       703 O
ATOM  *****  O   HOH S 704      -7.908  31.136   4.851  1.00 29.28       704 O
ATOM  *****  O   HOH S 705       9.489  -3.510   5.713  1.00 53.49       705 O
ATOM  *****  O   HOH S 706     -20.286   7.781   8.009  1.00 41.70       706 O
ATOM  *****  O   HOH S 707     -13.112  -6.280  11.183  1.00 42.43       707 O
ATOM  *****  O   HOH S 708     -11.763  27.581   8.132  1.00 41.39       708 O
ATOM  *****  O   HOH S 709     -11.056   8.176  15.346  1.00 48.61       709 O
ATOM  *****  O   HOH S 710      -5.957  28.637   4.900  1.00 43.41       710 O
ATOM  *****  O   HOH S 711     -25.408   4.012  13.224  1.00 42.79       711 O
ATOM  *****  O   HOH S 712     -35.221  17.344  -8.636  1.00 37.18       712 O
ATOM  *****  O   HOH S 713     -25.146   3.959   2.582  1.00 43.01       713 O
ATOM  *****  O   HOH S 714     -12.236  -3.073  18.188  1.00 43.59       714 O
ATOM  *****  O   HOH S 715     -30.754  19.597  11.313  1.00 43.00       715 O
ATOM  *****  O   HOH S 716     -37.445  18.073  13.023  1.00 62.24       716 O
ATOM  *****  O   HOH S 717      -3.235  -4.529  15.371  1.00 36.38       717 O
ATOM  *****  O   HOH S 718      -0.290  -5.651  14.978  1.00 43.55       718 O
ATOM  *****  O   HOH S 719     -38.270  13.878  -8.555  1.00 28.88       719 O
ATOM  *****  O   HOH L 303     -40.285   9.424 -52.991  1.00 31.92       303 O
ATOM  *****  O   HOH L 304     -42.187   7.284 -12.545  1.00 40.90       304 O
ATOM  *****  O   HOH L 305     -13.023  12.552 -25.006  1.00 45.18       305 O
ATOM  *****  O   HOH L 306     -23.673  17.344  -8.727  1.00 30.97       306 O
ATOM  *****  O   HOH L 307     -36.306  11.103 -69.278  1.00 38.03       307 O
ATOM  *****  O   HOH L 308     -14.847  19.789 -15.798  1.00 42.41       308 O
ATOM  *****  O   HOH L 310     -31.821  -1.742 -17.882  1.00 27.53       310 O
ATOM  *****  O   HOH L 311     -31.636   8.812 -43.618  1.00 30.59       311 O
ATOM  *****  O   HOH L 312     -19.968  21.537 -21.038  1.00 26.61       312 O
ATOM  *****  O   HOH L 313     -31.461  17.733 -51.147  1.00 24.88       313 O
ATOM  *****  O   HOH L 314     -33.940  -7.177 -23.404  1.00 28.09       314 O
ATOM  *****  O   HOH L 316     -27.519  -1.576 -15.211  1.00 39.45       316 O
ATOM  *****  O   HOH L 317     -35.675  -5.770 -34.831  1.00 26.70       317 O
ATOM  *****  O   HOH L 318     -30.542  11.729 -68.010  1.00 20.59       318 O
ATOM  *****  O   HOH L 319     -37.809   7.213 -43.143  1.00 37.13       319 O
ATOM  *****  O   HOH L 320     -24.716  15.363 -70.922  1.00 47.78       320 O
ATOM  *****  O   HOH L 321     -22.701  20.550 -53.450  1.00 30.45       321 O
ATOM  *****  O   HOH L 323     -25.290  13.130 -10.418  1.00 27.74       323 O
ATOM  *****  O   HOH L 324     -16.405  15.734 -22.895  1.00 25.00       324 O
ATOM  *****  O   HOH L 325     -29.669  -8.562 -26.240  1.00 43.19       325 O
ATOM  *****  O   HOH L 326     -35.127  -8.330 -44.517  1.00 33.99       326 O
ATOM  *****  O   HOH L 327     -19.271  19.337 -22.553  1.00 23.93       327 O
ATOM  *****  O   HOH L 329     -24.347   4.912 -15.098  1.00 22.09       329 O
ATOM  *****  O   HOH L 330     -36.430   1.621 -61.555  1.00 41.73       330 O
ATOM  *****  O   HOH L 331     -34.708  13.098 -38.925  1.00 30.90       331 O
ATOM  *****  O   HOH L 332     -41.167  10.649 -59.847  1.00 27.15       332 O
ATOM  *****  O   HOH L 334     -17.528  11.489 -26.213  1.00 32.38       334 O
ATOM  *****  O   HOH L 335     -30.450  -1.068 -56.528  1.00 44.54       335 O
ATOM  *****  O   HOH L 336     -17.440   6.412  -7.795  1.00 38.04       336 O
ATOM  *****  O   HOH L 337     -39.390   4.161 -56.265  1.00 38.90       337 O
ATOM  *****  O   HOH L 338     -26.030  18.892 -13.646  1.00 38.00       338 O
ATOM  *****  O   HOH L 339     -46.823  30.118 -62.773  1.00 44.06       339 O
ATOM  *****  O   HOH L 340     -20.880  11.021  -4.199  1.00 42.13       340 O
ATOM  *****  O   HOH L 341     -42.506  12.746 -59.183  1.00 34.36       341 O
ATOM  *****  O   HOH L 342     -36.692  17.411 -19.945  1.00 38.91       342 O
ATOM  *****  O   HOH L 343     -30.359  31.660 -65.585  1.00 28.32       343 O
ATOM  *****  O   HOH L 344     -38.683  -4.022 -50.136  1.00 45.52       344 O
ATOM  *****  O   HOH L 345     -39.294  21.346 -67.552  1.00 41.84       345 O
ATOM  *****  O   HOH L 346     -38.840  10.373 -36.162  1.00 36.02       346 O
ATOM  *****  O   HOH L 347     -40.720  14.068  -9.667  1.00 45.59       347 O
ATOM  *****  O   HOH L 348     -24.116   4.315 -45.311  1.00 54.22       348 O
ATOM  *****  O   HOH L 349     -25.292   8.974 -52.433  1.00 49.90       349 O
ATOM  *****  O   HOH L 350     -41.058  13.605 -68.945  1.00 28.13       350 O
ATOM  *****  O   HOH L 351     -36.076  11.845 -10.241  1.00 42.97       351 O
ATOM  *****  O   HOH L 352     -28.581  15.846 -43.699  1.00 48.88       352 O
ATOM  *****  O   HOH L 353     -27.041  17.487 -44.971  1.00 37.56       353 O
ATOM  *****  O   HOH L 354     -25.675   9.010 -49.832  1.00 44.99       354 O
ATOM  *****  O   HOH L 355     -40.832  18.925 -67.636  1.00 40.64       355 O
ATOM  *****  O   HOH L 356     -25.131   5.789 -47.215  1.00 42.66       356 O
ATOM  *****  O   HOH L 358     -38.094   7.280 -22.527  1.00 29.51       358 O
ATOM  *****  O   HOH L 359     -32.512  33.137 -65.754  1.00 36.38       359 O
ATOM  *****  O   HOH L 360     -42.487   8.438 -59.568  1.00 41.93       360 O
ERROR reading coordinate file. WHAT IF is trying to recover.
Please check your SOUP carefully after this option finished.
The line in the input file that created this problem is:
ERROR reading coordinate file. WHAT IF is trying to recover.
Please check your SOUP carefully after this option finished.
The line in the input file that created this problem is:
ERROR reading coordinate file. WHAT IF is trying to recover.
Please check your SOUP carefully after this option finished.
The line in the input file that created this problem is:
ERROR reading coordinate file. WHAT IF is trying to recover.
Please check your SOUP carefully after this option finished.
The line in the input file that created this problem is:
ERROR reading coordinate file. WHAT IF is trying to recover.
Please check your SOUP carefully after this option finished.
The line in the input file that created this problem is:
ERROR reading coordinate file. WHAT IF is trying to recover.
Please check your SOUP carefully after this option finished.
The line in the input file that created this problem is:
ERROR reading coordinate file. WHAT IF is trying to recover.
Please check your SOUP carefully after this option finished.
The line in the input file that created this problem is:
ERROR reading coordinate file. WHAT IF is trying to recover.
Please check your SOUP carefully after this option finished.
The line in the input file that created this problem is:
ERROR reading coordinate file. WHAT IF is trying to recover.
Please check your SOUP carefully after this option finished.
The line in the input file that created this problem is:
ERROR reading coordinate file. WHAT IF is trying to recover.
Please check your SOUP carefully after this option finished.
The line in the input file that created this problem is:
ERROR reading coordinate file. WHAT IF is trying to recover.
Please check your SOUP carefully after this option finished.
The line in the input file that created this problem is:
ERROR reading coordinate file. WHAT IF is trying to recover.
Please check your SOUP carefully after this option finished.
The line in the input file that created this problem is:
ERROR reading coordinate file. WHAT IF is trying to recover.
Please check your SOUP carefully after this option finished.
The line in the input file that created this problem is:
ERROR reading coordinate file. WHAT IF is trying to recover.
Please check your SOUP carefully after this option finished.
The line in the input file that created this problem is:
ERROR reading coordinate file. WHAT IF is trying to recover.
Please check your SOUP carefully after this option finished.
The line in the input file that created this problem is:
ERROR reading coordinate file. WHAT IF is trying to recover.
Please check your SOUP carefully after this option finished.
The line in the input file that created this problem is:
ERROR reading coordinate file. WHAT IF is trying to recover.
Please check your SOUP carefully after this option finished.
The line in the input file that created this problem is:
ERROR reading coordinate file. WHAT IF is trying to recover.
Please check your SOUP carefully after this option finished.
The line in the input file that created this problem is:
ERROR reading coordinate file. WHAT IF is trying to recover.
Please check your SOUP carefully after this option finished.
The line in the input file that created this problem is:
ERROR reading coordinate file. WHAT IF is trying to recover.
Please check your SOUP carefully after this option finished.
The line in the input file that created this problem is:
ERROR reading coordinate file. WHAT IF is trying to recover.
Please check your SOUP carefully after this option finished.
The line in the input file that created this problem is:
ERROR reading coordinate file. WHAT IF is trying to recover.
Please check your SOUP carefully after this option finished.
The line in the input file that created this problem is:
ERROR reading coordinate file. WHAT IF is trying to recover.
Please check your SOUP carefully after this option finished.
The line in the input file that created this problem is:
ERROR reading coordinate file. WHAT IF is trying to recover.
Please check your SOUP carefully after this option finished.
The line in the input file that created this problem is:
ERROR reading coordinate file. WHAT IF is trying to recover.
Please check your SOUP carefully after this option finished.
The line in the input file that created this problem is:
ERROR reading coordinate file. WHAT IF is trying to recover.
Please check your SOUP carefully after this option finished.
The line in the input file that created this problem is:
ERROR reading coordinate file. WHAT IF is trying to recover.
Please check your SOUP carefully after this option finished.
The line in the input file that created this problem is:
ERROR reading coordinate file. WHAT IF is trying to recover.
Please check your SOUP carefully after this option finished.
The line in the input file that created this problem is:
ERROR reading coordinate file. WHAT IF is trying to recover.
Please check your SOUP carefully after this option finished.
The line in the input file that created this problem is:
ERROR reading coordinate file. WHAT IF is trying to recover.
Please check your SOUP carefully after this option finished.
The line in the input file that created this problem is:
ERROR reading coordinate file. WHAT IF is trying to recover.
Please check your SOUP carefully after this option finished.
The line in the input file that created this problem is:
ERROR reading coordinate file. WHAT IF is trying to recover.
Please check your SOUP carefully after this option finished.
The line in the input file that created this problem is:
ERROR reading coordinate file. WHAT IF is trying to recover.
Please check your SOUP carefully after this option finished.
The line in the input file that created this problem is:
ERROR reading coordinate file. WHAT IF is trying to recover.
Please check your SOUP carefully after this option finished.
The line in the input file that created this problem is:
ERROR reading coordinate file. WHAT IF is trying to recover.
Please check your SOUP carefully after this option finished.
The line in the input file that created this problem is:
ERROR reading coordinate file. WHAT IF is trying to recover.
Please check your SOUP carefully after this option finished.
The line in the input file that created this problem is:
ERROR reading coordinate file. WHAT IF is trying to recover.
Please check your SOUP carefully after this option finished.
The line in the input file that created this problem is:
ERROR reading coordinate file. WHAT IF is trying to recover.
Please check your SOUP carefully after this option finished.
The line in the input file that created this problem is:
ERROR reading coordinate file. WHAT IF is trying to recover.
Please check your SOUP carefully after this option finished.
The line in the input file that created this problem is:
ERROR reading coordinate file. WHAT IF is trying to recover.
Please check your SOUP carefully after this option finished.
The line in the input file that created this problem is:
ERROR reading coordinate file. WHAT IF is trying to recover.
Please check your SOUP carefully after this option finished.
The line in the input file that created this problem is:
ERROR reading coordinate file. WHAT IF is trying to recover.
Please check your SOUP carefully after this option finished.
The line in the input file that created this problem is:
ERROR reading coordinate file. WHAT IF is trying to recover.
Please check your SOUP carefully after this option finished.
The line in the input file that created this problem is:
ERROR reading coordinate file. WHAT IF is trying to recover.
Please check your SOUP carefully after this option finished.
The line in the input file that created this problem is:
ERROR reading coordinate file. WHAT IF is trying to recover.
Please check your SOUP carefully after this option finished.
The line in the input file that created this problem is:
ERROR reading coordinate file. WHAT IF is trying to recover.
Please check your SOUP carefully after this option finished.
The line in the input file that created this problem is:
ERROR reading coordinate file. WHAT IF is trying to recover.
Please check your SOUP carefully after this option finished.
The line in the input file that created this problem is:
ERROR reading coordinate file. WHAT IF is trying to recover.
Please check your SOUP carefully after this option finished.
The line in the input file that created this problem is:
ERROR reading coordinate file. WHAT IF is trying to recover.
Please check your SOUP carefully after this option finished.
The line in the input file that created this problem is:
ERROR reading coordinate file. WHAT IF is trying to recover.
Please check your SOUP carefully after this option finished.
The line in the input file that created this problem is:
ERROR reading coordinate file. WHAT IF is trying to recover.
Please check your SOUP carefully after this option finished.
The line in the input file that created this problem is:
ERROR reading coordinate file. WHAT IF is trying to recover.
Please check your SOUP carefully after this option finished.
The line in the input file that created this problem is:
ERROR reading coordinate file. WHAT IF is trying to recover.
Please check your SOUP carefully after this option finished.
The line in the input file that created this problem is:
ERROR reading coordinate file. WHAT IF is trying to recover.
Please check your SOUP carefully after this option finished.
The line in the input file that created this problem is:
ERROR reading coordinate file. WHAT IF is trying to recover.
Please check your SOUP carefully after this option finished.
The line in the input file that created this problem is:
ERROR reading coordinate file. WHAT IF is trying to recover.
Please check your SOUP carefully after this option finished.
The line in the input file that created this problem is:
ERROR reading coordinate file. WHAT IF is trying to recover.
Please check your SOUP carefully after this option finished.
The line in the input file that created this problem is:
ERROR reading coordinate file. WHAT IF is trying to recover.
Please check your SOUP carefully after this option finished.
The line in the input file that created this problem is:
ERROR reading coordinate file. WHAT IF is trying to recover.
Please check your SOUP carefully after this option finished.
The line in the input file that created this problem is:
ERROR reading coordinate file. WHAT IF is trying to recover.
Please check your SOUP carefully after this option finished.
The line in the input file that created this problem is:
ERROR reading coordinate file. WHAT IF is trying to recover.
Please check your SOUP carefully after this option finished.
The line in the input file that created this problem is:
ERROR reading coordinate file. WHAT IF is trying to recover.
Please check your SOUP carefully after this option finished.
The line in the input file that created this problem is:
ERROR reading coordinate file. WHAT IF is trying to recover.
Please check your SOUP carefully after this option finished.
The line in the input file that created this problem is:
ERROR reading coordinate file. WHAT IF is trying to recover.
Please check your SOUP carefully after this option finished.
The line in the input file that created this problem is:
ERROR reading coordinate file. WHAT IF is trying to recover.
Please check your SOUP carefully after this option finished.
The line in the input file that created this problem is:
ERROR reading coordinate file. WHAT IF is trying to recover.
Please check your SOUP carefully after this option finished.
The line in the input file that created this problem is:
ERROR reading coordinate file. WHAT IF is trying to recover.
Please check your SOUP carefully after this option finished.
The line in the input file that created this problem is:
ERROR reading coordinate file. WHAT IF is trying to recover.
Please check your SOUP carefully after this option finished.
The line in the input file that created this problem is:
ERROR reading coordinate file. WHAT IF is trying to recover.
Please check your SOUP carefully after this option finished.
The line in the input file that created this problem is:
ERROR reading coordinate file. WHAT IF is trying to recover.
Please check your SOUP carefully after this option finished.
The line in the input file that created this problem is:
ERROR reading coordinate file. WHAT IF is trying to recover.
Please check your SOUP carefully after this option finished.
The line in the input file that created this problem is:
ERROR reading coordinate file. WHAT IF is trying to recover.
Please check your SOUP carefully after this option finished.
The line in the input file that created this problem is:
ERROR reading coordinate file. WHAT IF is trying to recover.
Please check your SOUP carefully after this option finished.
The line in the input file that created this problem is:
ERROR reading coordinate file. WHAT IF is trying to recover.
Please check your SOUP carefully after this option finished.
The line in the input file that created this problem is:
ERROR reading coordinate file. WHAT IF is trying to recover.
Please check your SOUP carefully after this option finished.
The line in the input file that created this problem is:
ERROR reading coordinate file. WHAT IF is trying to recover.
Please check your SOUP carefully after this option finished.
The line in the input file that created this problem is:
ERROR reading coordinate file. WHAT IF is trying to recover.
Please check your SOUP carefully after this option finished.
The line in the input file that created this problem is:
ERROR reading coordinate file. WHAT IF is trying to recover.
Please check your SOUP carefully after this option finished.
The line in the input file that created this problem is:
ERROR reading coordinate file. WHAT IF is trying to recover.
Please check your SOUP carefully after this option finished.
The line in the input file that created this problem is:
ERROR reading coordinate file. WHAT IF is trying to recover.
Please check your SOUP carefully after this option finished.
The line in the input file that created this problem is:
ERROR reading coordinate file. WHAT IF is trying to recover.
Please check your SOUP carefully after this option finished.
The line in the input file that created this problem is:
ERROR reading coordinate file. WHAT IF is trying to recover.
Please check your SOUP carefully after this option finished.
The line in the input file that created this problem is:
ERROR reading coordinate file. WHAT IF is trying to recover.
Please check your SOUP carefully after this option finished.
The line in the input file that created this problem is:
ERROR reading coordinate file. WHAT IF is trying to recover.
Please check your SOUP carefully after this option finished.
The line in the input file that created this problem is:
ERROR reading coordinate file. WHAT IF is trying to recover.
Please check your SOUP carefully after this option finished.
The line in the input file that created this problem is:
ERROR reading coordinate file. WHAT IF is trying to recover.
Please check your SOUP carefully after this option finished.
The line in the input file that created this problem is:
ERROR reading coordinate file. WHAT IF is trying to recover.
Please check your SOUP carefully after this option finished.
The line in the input file that created this problem is:
ERROR reading coordinate file. WHAT IF is trying to recover.
Please check your SOUP carefully after this option finished.
The line in the input file that created this problem is:
ERROR reading coordinate file. WHAT IF is trying to recover.
Please check your SOUP carefully after this option finished.
The line in the input file that created this problem is:
ERROR reading coordinate file. WHAT IF is trying to recover.
Please check your SOUP carefully after this option finished.
The line in the input file that created this problem is:
ERROR reading coordinate file. WHAT IF is trying to recover.
Please check your SOUP carefully after this option finished.
The line in the input file that created this problem is:
ERROR reading coordinate file. WHAT IF is trying to recover.
Please check your SOUP carefully after this option finished.
The line in the input file that created this problem is:
ERROR reading coordinate file. WHAT IF is trying to recover.
Please check your SOUP carefully after this option finished.
The line in the input file that created this problem is:
ERROR reading coordinate file. WHAT IF is trying to recover.
Please check your SOUP carefully after this option finished.
The line in the input file that created this problem is:
ERROR reading coordinate file. WHAT IF is trying to recover.
Please check your SOUP carefully after this option finished.
The line in the input file that created this problem is:
ERROR reading coordinate file. WHAT IF is trying to recover.
Please check your SOUP carefully after this option finished.
The line in the input file that created this problem is:
ERROR reading coordinate file. WHAT IF is trying to recover.
Please check your SOUP carefully after this option finished.
The line in the input file that created this problem is:
ERROR reading coordinate file. WHAT IF is trying to recover.
Please check your SOUP carefully after this option finished.
The line in the input file that created this problem is:
ERROR reading coordinate file. WHAT IF is trying to recover.
Please check your SOUP carefully after this option finished.
The line in the input file that created this problem is:
ERROR reading coordinate file. WHAT IF is trying to recover.
Please check your SOUP carefully after this option finished.
The line in the input file that created this problem is:
ERROR reading coordinate file. WHAT IF is trying to recover.
Please check your SOUP carefully after this option finished.
The line in the input file that created this problem is:
ERROR reading coordinate file. WHAT IF is trying to recover.
Please check your SOUP carefully after this option finished.
The line in the input file that created this problem is:
ERROR reading coordinate file. WHAT IF is trying to recover.
Please check your SOUP carefully after this option finished.
The line in the input file that created this problem is:
ERROR reading coordinate file. WHAT IF is trying to recover.
Please check your SOUP carefully after this option finished.
The line in the input file that created this problem is:
ERROR reading coordinate file. WHAT IF is trying to recover.
Please check your SOUP carefully after this option finished.
The line in the input file that created this problem is:
ERROR reading coordinate file. WHAT IF is trying to recover.
Please check your SOUP carefully after this option finished.
The line in the input file that created this problem is:
ERROR reading coordinate file. WHAT IF is trying to recover.
Please check your SOUP carefully after this option finished.
The line in the input file that created this problem is:
ERROR reading coordinate file. WHAT IF is trying to recover.
Please check your SOUP carefully after this option finished.
The line in the input file that created this problem is:
ERROR reading coordinate file. WHAT IF is trying to recover.
Please check your SOUP carefully after this option finished.
The line in the input file that created this problem is:
ERROR reading coordinate file. WHAT IF is trying to recover.
Please check your SOUP carefully after this option finished.
The line in the input file that created this problem is:
ERROR reading coordinate file. WHAT IF is trying to recover.
Please check your SOUP carefully after this option finished.
The line in the input file that created this problem is:
ERROR reading coordinate file. WHAT IF is trying to recover.
Please check your SOUP carefully after this option finished.
The line in the input file that created this problem is:
ERROR reading coordinate file. WHAT IF is trying to recover.
Please check your SOUP carefully after this option finished.
The line in the input file that created this problem is:
ERROR reading coordinate file. WHAT IF is trying to recover.
Please check your SOUP carefully after this option finished.
The line in the input file that created this problem is:
ERROR reading coordinate file. WHAT IF is trying to recover.
Please check your SOUP carefully after this option finished.
The line in the input file that created this problem is:
ERROR reading coordinate file. WHAT IF is trying to recover.
Please check your SOUP carefully after this option finished.
The line in the input file that created this problem is:
ERROR reading coordinate file. WHAT IF is trying to recover.
Please check your SOUP carefully after this option finished.
The line in the input file that created this problem is:
ERROR reading coordinate file. WHAT IF is trying to recover.
Please check your SOUP carefully after this option finished.
The line in the input file that created this problem is:
ERROR reading coordinate file. WHAT IF is trying to recover.
Please check your SOUP carefully after this option finished.
The line in the input file that created this problem is:
ERROR reading coordinate file. WHAT IF is trying to recover.
Please check your SOUP carefully after this option finished.
The line in the input file that created this problem is:
ERROR reading coordinate file. WHAT IF is trying to recover.
Please check your SOUP carefully after this option finished.
The line in the input file that created this problem is:
ERROR reading coordinate file. WHAT IF is trying to recover.
Please check your SOUP carefully after this option finished.
The line in the input file that created this problem is:
ERROR reading coordinate file. WHAT IF is trying to recover.
Please check your SOUP carefully after this option finished.
The line in the input file that created this problem is:
ERROR reading coordinate file. WHAT IF is trying to recover.
Please check your SOUP carefully after this option finished.
The line in the input file that created this problem is:
ERROR reading coordinate file. WHAT IF is trying to recover.
Please check your SOUP carefully after this option finished.
The line in the input file that created this problem is:
ERROR reading coordinate file. WHAT IF is trying to recover.
Please check your SOUP carefully after this option finished.
The line in the input file that created this problem is:
ERROR reading coordinate file. WHAT IF is trying to recover.
Please check your SOUP carefully after this option finished.
The line in the input file that created this problem is:
ERROR reading coordinate file. WHAT IF is trying to recover.
Please check your SOUP carefully after this option finished.
The line in the input file that created this problem is:
ERROR reading coordinate file. WHAT IF is trying to recover.
Please check your SOUP carefully after this option finished.
The line in the input file that created this problem is:
ERROR reading coordinate file. WHAT IF is trying to recover.
Please check your SOUP carefully after this option finished.
The line in the input file that created this problem is:
ERROR reading coordinate file. WHAT IF is trying to recover.
Please check your SOUP carefully after this option finished.
The line in the input file that created this problem is:
ERROR reading coordinate file. WHAT IF is trying to recover.
Please check your SOUP carefully after this option finished.
The line in the input file that created this problem is:
ERROR reading coordinate file. WHAT IF is trying to recover.
Please check your SOUP carefully after this option finished.
The line in the input file that created this problem is:
ERROR reading coordinate file. WHAT IF is trying to recover.
Please check your SOUP carefully after this option finished.
The line in the input file that created this problem is:
ERROR reading coordinate file. WHAT IF is trying to recover.
Please check your SOUP carefully after this option finished.
The line in the input file that created this problem is:
ERROR reading coordinate file. WHAT IF is trying to recover.
Please check your SOUP carefully after this option finished.
The line in the input file that created this problem is:
ERROR reading coordinate file. WHAT IF is trying to recover.
Please check your SOUP carefully after this option finished.
The line in the input file that created this problem is:
ERROR reading coordinate file. WHAT IF is trying to recover.
Please check your SOUP carefully after this option finished.
The line in the input file that created this problem is:
ERROR reading coordinate file. WHAT IF is trying to recover.
Please check your SOUP carefully after this option finished.
The line in the input file that created this problem is:
ERROR reading coordinate file. WHAT IF is trying to recover.
Please check your SOUP carefully after this option finished.
The line in the input file that created this problem is:
ERROR reading coordinate file. WHAT IF is trying to recover.
Please check your SOUP carefully after this option finished.
The line in the input file that created this problem is:
ERROR reading coordinate file. WHAT IF is trying to recover.
Please check your SOUP carefully after this option finished.
The line in the input file that created this problem is:
ERROR reading coordinate file. WHAT IF is trying to recover.
Please check your SOUP carefully after this option finished.
The line in the input file that created this problem is:
ERROR reading coordinate file. WHAT IF is trying to recover.
Please check your SOUP carefully after this option finished.
The line in the input file that created this problem is:
ERROR reading coordinate file. WHAT IF is trying to recover.
Please check your SOUP carefully after this option finished.
The line in the input file that created this problem is:
ERROR reading coordinate file. WHAT IF is trying to recover.
Please check your SOUP carefully after this option finished.
The line in the input file that created this problem is:
ERROR reading coordinate file. WHAT IF is trying to recover.
Please check your SOUP carefully after this option finished.
The line in the input file that created this problem is:
ERROR reading coordinate file. WHAT IF is trying to recover.
Please check your SOUP carefully after this option finished.
The line in the input file that created this problem is:
ERROR reading coordinate file. WHAT IF is trying to recover.
Please check your SOUP carefully after this option finished.
The line in the input file that created this problem is:
ERROR reading coordinate file. WHAT IF is trying to recover.
Please check your SOUP carefully after this option finished.
The line in the input file that created this problem is:
ERROR reading coordinate file. WHAT IF is trying to recover.
Please check your SOUP carefully after this option finished.
The line in the input file that created this problem is:
ERROR reading coordinate file. WHAT IF is trying to recover.
Please check your SOUP carefully after this option finished.
The line in the input file that created this problem is:
ERROR reading coordinate file. WHAT IF is trying to recover.
Please check your SOUP carefully after this option finished.
The line in the input file that created this problem is:
ERROR reading coordinate file. WHAT IF is trying to recover.
Please check your SOUP carefully after this option finished.
The line in the input file that created this problem is:
ERROR reading coordinate file. WHAT IF is trying to recover.
Please check your SOUP carefully after this option finished.
The line in the input file that created this problem is:
ERROR reading coordinate file. WHAT IF is trying to recover.
Please check your SOUP carefully after this option finished.
The line in the input file that created this problem is:
ERROR reading coordinate file. WHAT IF is trying to recover.
Please check your SOUP carefully after this option finished.
The line in the input file that created this problem is:
ERROR reading coordinate file. WHAT IF is trying to recover.
Please check your SOUP carefully after this option finished.
The line in the input file that created this problem is:
ERROR reading coordinate file. WHAT IF is trying to recover.
Please check your SOUP carefully after this option finished.
The line in the input file that created this problem is:
ERROR reading coordinate file. WHAT IF is trying to recover.
Please check your SOUP carefully after this option finished.
The line in the input file that created this problem is:
ERROR reading coordinate file. WHAT IF is trying to recover.
Please check your SOUP carefully after this option finished.
The line in the input file that created this problem is:
ERROR reading coordinate file. WHAT IF is trying to recover.
Please check your SOUP carefully after this option finished.
The line in the input file that created this problem is:
ERROR reading coordinate file. WHAT IF is trying to recover.
Please check your SOUP carefully after this option finished.
The line in the input file that created this problem is:
ERROR reading coordinate file. WHAT IF is trying to recover.
Please check your SOUP carefully after this option finished.
The line in the input file that created this problem is:
ERROR reading coordinate file. WHAT IF is trying to recover.
Please check your SOUP carefully after this option finished.
The line in the input file that created this problem is:
ERROR reading coordinate file. WHAT IF is trying to recover.
Please check your SOUP carefully after this option finished.
The line in the input file that created this problem is:
ERROR reading coordinate file. WHAT IF is trying to recover.
Please check your SOUP carefully after this option finished.
The line in the input file that created this problem is:
ERROR reading coordinate file. WHAT IF is trying to recover.
Please check your SOUP carefully after this option finished.
The line in the input file that created this problem is:
ERROR reading coordinate file. WHAT IF is trying to recover.
Please check your SOUP carefully after this option finished.
The line in the input file that created this problem is:
ERROR reading coordinate file. WHAT IF is trying to recover.
Please check your SOUP carefully after this option finished.
The line in the input file that created this problem is:
ERROR reading coordinate file. WHAT IF is trying to recover.
Please check your SOUP carefully after this option finished.
The line in the input file that created this problem is:
ERROR reading coordinate file. WHAT IF is trying to recover.
Please check your SOUP carefully after this option finished.
The line in the input file that created this problem is:
ERROR reading coordinate file. WHAT IF is trying to recover.
Please check your SOUP carefully after this option finished.
The line in the input file that created this problem is:
ERROR reading coordinate file. WHAT IF is trying to recover.
Please check your SOUP carefully after this option finished.
The line in the input file that created this problem is:
ERROR reading coordinate file. WHAT IF is trying to recover.
Please check your SOUP carefully after this option finished.
The line in the input file that created this problem is:
ERROR reading coordinate file. WHAT IF is trying to recover.
Please check your SOUP carefully after this option finished.
The line in the input file that created this problem is:
ERROR reading coordinate file. WHAT IF is trying to recover.
Please check your SOUP carefully after this option finished.
The line in the input file that created this problem is:
ERROR reading coordinate file. WHAT IF is trying to recover.
Please check your SOUP carefully after this option finished.
The line in the input file that created this problem is:
ERROR reading coordinate file. WHAT IF is trying to recover.
Please check your SOUP carefully after this option finished.
The line in the input file that created this problem is:
ERROR reading coordinate file. WHAT IF is trying to recover.
Please check your SOUP carefully after this option finished.
The line in the input file that created this problem is:
ERROR reading coordinate file. WHAT IF is trying to recover.
Please check your SOUP carefully after this option finished.
The line in the input file that created this problem is:
ERROR reading coordinate file. WHAT IF is trying to recover.
Please check your SOUP carefully after this option finished.
The line in the input file that created this problem is:
ERROR reading coordinate file. WHAT IF is trying to recover.
Please check your SOUP carefully after this option finished.
The line in the input file that created this problem is:
ERROR reading coordinate file. WHAT IF is trying to recover.
Please check your SOUP carefully after this option finished.
The line in the input file that created this problem is:
ERROR reading coordinate file. WHAT IF is trying to recover.
Please check your SOUP carefully after this option finished.
The line in the input file that created this problem is:
ERROR reading coordinate file. WHAT IF is trying to recover.
Please check your SOUP carefully after this option finished.
The line in the input file that created this problem is:
ERROR reading coordinate file. WHAT IF is trying to recover.
Please check your SOUP carefully after this option finished.
The line in the input file that created this problem is:
ERROR reading coordinate file. WHAT IF is trying to recover.
Please check your SOUP carefully after this option finished.
The line in the input file that created this problem is:
ERROR reading coordinate file. WHAT IF is trying to recover.
Please check your SOUP carefully after this option finished.
The line in the input file that created this problem is:
ERROR reading coordinate file. WHAT IF is trying to recover.
Please check your SOUP carefully after this option finished.
The line in the input file that created this problem is:
ERROR reading coordinate file. WHAT IF is trying to recover.
Please check your SOUP carefully after this option finished.
The line in the input file that created this problem is:
ERROR reading coordinate file. WHAT IF is trying to recover.
Please check your SOUP carefully after this option finished.
The line in the input file that created this problem is:
ERROR reading coordinate file. WHAT IF is trying to recover.
Please check your SOUP carefully after this option finished.
The line in the input file that created this problem is:
ERROR reading coordinate file. WHAT IF is trying to recover.
Please check your SOUP carefully after this option finished.
The line in the input file that created this problem is:
ERROR reading coordinate file. WHAT IF is trying to recover.
Please check your SOUP carefully after this option finished.
The line in the input file that created this problem is:
ERROR reading coordinate file. WHAT IF is trying to recover.
Please check your SOUP carefully after this option finished.
The line in the input file that created this problem is:
ERROR reading coordinate file. WHAT IF is trying to recover.
Please check your SOUP carefully after this option finished.
The line in the input file that created this problem is:
ERROR reading coordinate file. WHAT IF is trying to recover.
Please check your SOUP carefully after this option finished.
The line in the input file that created this problem is:
ERROR reading coordinate file. WHAT IF is trying to recover.
Please check your SOUP carefully after this option finished.
The line in the input file that created this problem is:
ERROR reading coordinate file. WHAT IF is trying to recover.
Please check your SOUP carefully after this option finished.
The line in the input file that created this problem is:
ERROR reading coordinate file. WHAT IF is trying to recover.
Please check your SOUP carefully after this option finished.
The line in the input file that created this problem is:
ERROR reading coordinate file. WHAT IF is trying to recover.
Please check your SOUP carefully after this option finished.
The line in the input file that created this problem is:
ERROR reading coordinate file. WHAT IF is trying to recover.
Please check your SOUP carefully after this option finished.
The line in the input file that created this problem is:
ERROR reading coordinate file. WHAT IF is trying to recover.
Please check your SOUP carefully after this option finished.
The line in the input file that created this problem is:
ERROR reading coordinate file. WHAT IF is trying to recover.
Please check your SOUP carefully after this option finished.
The line in the input file that created this problem is:
ERROR reading coordinate file. WHAT IF is trying to recover.
Please check your SOUP carefully after this option finished.
The line in the input file that created this problem is:
ERROR reading coordinate file. WHAT IF is trying to recover.
Please check your SOUP carefully after this option finished.
The line in the input file that created this problem is:
ERROR reading coordinate file. WHAT IF is trying to recover.
Please check your SOUP carefully after this option finished.
The line in the input file that created this problem is:
ERROR reading coordinate file. WHAT IF is trying to recover.
Please check your SOUP carefully after this option finished.
The line in the input file that created this problem is:
ERROR reading coordinate file. WHAT IF is trying to recover.
Please check your SOUP carefully after this option finished.
The line in the input file that created this problem is:
ERROR reading coordinate file. WHAT IF is trying to recover.
Please check your SOUP carefully after this option finished.
The line in the input file that created this problem is:
ERROR reading coordinate file. WHAT IF is trying to recover.
Please check your SOUP carefully after this option finished.
The line in the input file that created this problem is:
ERROR reading coordinate file. WHAT IF is trying to recover.
Please check your SOUP carefully after this option finished.
The line in the input file that created this problem is:
ERROR reading coordinate file. WHAT IF is trying to recover.
Please check your SOUP carefully after this option finished.
The line in the input file that created this problem is:
ERROR reading coordinate file. WHAT IF is trying to recover.
Please check your SOUP carefully after this option finished.
The line in the input file that created this problem is:
ERROR reading coordinate file. WHAT IF is trying to recover.
Please check your SOUP carefully after this option finished.
The line in the input file that created this problem is:
ERROR reading coordinate file. WHAT IF is trying to recover.
Please check your SOUP carefully after this option finished.
The line in the input file that created this problem is:
ERROR reading coordinate file. WHAT IF is trying to recover.
Please check your SOUP carefully after this option finished.
The line in the input file that created this problem is:
ERROR reading coordinate file. WHAT IF is trying to recover.
Please check your SOUP carefully after this option finished.
The line in the input file that created this problem is:
ERROR reading coordinate file. WHAT IF is trying to recover.
Please check your SOUP carefully after this option finished.
The line in the input file that created this problem is:
ERROR reading coordinate file. WHAT IF is trying to recover.
Please check your SOUP carefully after this option finished.
The line in the input file that created this problem is:
ERROR reading coordinate file. WHAT IF is trying to recover.
Please check your SOUP carefully after this option finished.
The line in the input file that created this problem is:
ERROR reading coordinate file. WHAT IF is trying to recover.
Please check your SOUP carefully after this option finished.
The line in the input file that created this problem is:
ERROR reading coordinate file. WHAT IF is trying to recover.
Please check your SOUP carefully after this option finished.
The line in the input file that created this problem is:
ERROR reading coordinate file. WHAT IF is trying to recover.
Please check your SOUP carefully after this option finished.
The line in the input file that created this problem is:
ERROR reading coordinate file. WHAT IF is trying to recover.
Please check your SOUP carefully after this option finished.
The line in the input file that created this problem is:
ERROR reading coordinate file. WHAT IF is trying to recover.
Please check your SOUP carefully after this option finished.
The line in the input file that created this problem is:
ERROR reading coordinate file. WHAT IF is trying to recover.
Please check your SOUP carefully after this option finished.
The line in the input file that created this problem is:
ERROR reading coordinate file. WHAT IF is trying to recover.
Please check your SOUP carefully after this option finished.
The line in the input file that created this problem is:
ERROR reading coordinate file. WHAT IF is trying to recover.
Please check your SOUP carefully after this option finished.
The line in the input file that created this problem is:
ERROR reading coordinate file. WHAT IF is trying to recover.
Please check your SOUP carefully after this option finished.
The line in the input file that created this problem is:
ERROR reading coordinate file. WHAT IF is trying to recover.
Please check your SOUP carefully after this option finished.
The line in the input file that created this problem is:
ERROR reading coordinate file. WHAT IF is trying to recover.
Please check your SOUP carefully after this option finished.
The line in the input file that created this problem is:
ERROR reading coordinate file. WHAT IF is trying to recover.
Please check your SOUP carefully after this option finished.
The line in the input file that created this problem is:
ERROR reading coordinate file. WHAT IF is trying to recover.
Please check your SOUP carefully after this option finished.
The line in the input file that created this problem is:
ERROR reading coordinate file. WHAT IF is trying to recover.
Please check your SOUP carefully after this option finished.
The line in the input file that created this problem is:
ERROR reading coordinate file. WHAT IF is trying to recover.
Please check your SOUP carefully after this option finished.
The line in the input file that created this problem is:
ERROR reading coordinate file. WHAT IF is trying to recover.
Please check your SOUP carefully after this option finished.
The line in the input file that created this problem is:
ERROR reading coordinate file. WHAT IF is trying to recover.
Please check your SOUP carefully after this option finished.
The line in the input file that created this problem is:
ERROR reading coordinate file. WHAT IF is trying to recover.
Please check your SOUP carefully after this option finished.
The line in the input file that created this problem is:
ERROR reading coordinate file. WHAT IF is trying to recover.
Please check your SOUP carefully after this option finished.
The line in the input file that created this problem is:
ERROR reading coordinate file. WHAT IF is trying to recover.
Please check your SOUP carefully after this option finished.
The line in the input file that created this problem is:
ERROR reading coordinate file. WHAT IF is trying to recover.
Please check your SOUP carefully after this option finished.
The line in the input file that created this problem is:
ERROR reading coordinate file. WHAT IF is trying to recover.
Please check your SOUP carefully after this option finished.
The line in the input file that created this problem is:
ERROR reading coordinate file. WHAT IF is trying to recover.
Please check your SOUP carefully after this option finished.
The line in the input file that created this problem is:
ERROR reading coordinate file. WHAT IF is trying to recover.
Please check your SOUP carefully after this option finished.
The line in the input file that created this problem is:
ERROR reading coordinate file. WHAT IF is trying to recover.
Please check your SOUP carefully after this option finished.
The line in the input file that created this problem is:
ERROR reading coordinate file. WHAT IF is trying to recover.
Please check your SOUP carefully after this option finished.
The line in the input file that created this problem is:
ERROR reading coordinate file. WHAT IF is trying to recover.
Please check your SOUP carefully after this option finished.
The line in the input file that created this problem is:
ERROR reading coordinate file. WHAT IF is trying to recover.
Please check your SOUP carefully after this option finished.
The line in the input file that created this problem is:
ERROR reading coordinate file. WHAT IF is trying to recover.
Please check your SOUP carefully after this option finished.
The line in the input file that created this problem is:
ERROR reading coordinate file. WHAT IF is trying to recover.
Please check your SOUP carefully after this option finished.
The line in the input file that created this problem is:
ERROR reading coordinate file. WHAT IF is trying to recover.
Please check your SOUP carefully after this option finished.
The line in the input file that created this problem is:
ERROR reading coordinate file. WHAT IF is trying to recover.
Please check your SOUP carefully after this option finished.
The line in the input file that created this problem is:
ERROR reading coordinate file. WHAT IF is trying to recover.
Please check your SOUP carefully after this option finished.
The line in the input file that created this problem is:
ERROR reading coordinate file. WHAT IF is trying to recover.
Please check your SOUP carefully after this option finished.
The line in the input file that created this problem is:
ERROR reading coordinate file. WHAT IF is trying to recover.
Please check your SOUP carefully after this option finished.
The line in the input file that created this problem is:
ERROR reading coordinate file. WHAT IF is trying to recover.
Please check your SOUP carefully after this option finished.
The line in the input file that created this problem is:
ERROR reading coordinate file. WHAT IF is trying to recover.
Please check your SOUP carefully after this option finished.
The line in the input file that created this problem is:
ERROR reading coordinate file. WHAT IF is trying to recover.
Please check your SOUP carefully after this option finished.
The line in the input file that created this problem is:
ERROR reading coordinate file. WHAT IF is trying to recover.
Please check your SOUP carefully after this option finished.
The line in the input file that created this problem is:
ERROR reading coordinate file. WHAT IF is trying to recover.
Please check your SOUP carefully after this option finished.
The line in the input file that created this problem is:
ERROR reading coordinate file. WHAT IF is trying to recover.
Please check your SOUP carefully after this option finished.
The line in the input file that created this problem is:
ERROR reading coordinate file. WHAT IF is trying to recover.
Please check your SOUP carefully after this option finished.
The line in the input file that created this problem is:
ERROR reading coordinate file. WHAT IF is trying to recover.
Please check your SOUP carefully after this option finished.
The line in the input file that created this problem is:
ERROR reading coordinate file. WHAT IF is trying to recover.
Please check your SOUP carefully after this option finished.
The line in the input file that created this problem is:
ERROR reading coordinate file. WHAT IF is trying to recover.
Please check your SOUP carefully after this option finished.
The line in the input file that created this problem is:
ERROR reading coordinate file. WHAT IF is trying to recover.
Please check your SOUP carefully after this option finished.
The line in the input file that created this problem is:
ERROR reading coordinate file. WHAT IF is trying to recover.
Please check your SOUP carefully after this option finished.
The line in the input file that created this problem is:
ERROR reading coordinate file. WHAT IF is trying to recover.
Please check your SOUP carefully after this option finished.
The line in the input file that created this problem is:
ERROR reading coordinate file. WHAT IF is trying to recover.
Please check your SOUP carefully after this option finished.
The line in the input file that created this problem is:
ERROR reading coordinate file. WHAT IF is trying to recover.
Please check your SOUP carefully after this option finished.
The line in the input file that created this problem is:
ERROR reading coordinate file. WHAT IF is trying to recover.
Please check your SOUP carefully after this option finished.
The line in the input file that created this problem is:
ERROR reading coordinate file. WHAT IF is trying to recover.
Please check your SOUP carefully after this option finished.
The line in the input file that created this problem is:
ERROR reading coordinate file. WHAT IF is trying to recover.
Please check your SOUP carefully after this option finished.
The line in the input file that created this problem is:
ERROR reading coordinate file. WHAT IF is trying to recover.
Please check your SOUP carefully after this option finished.
The line in the input file that created this problem is:
ERROR reading coordinate file. WHAT IF is trying to recover.
Please check your SOUP carefully after this option finished.
The line in the input file that created this problem is:
ERROR reading coordinate file. WHAT IF is trying to recover.
Please check your SOUP carefully after this option finished.
The line in the input file that created this problem is:
ERROR reading coordinate file. WHAT IF is trying to recover.
Please check your SOUP carefully after this option finished.
The line in the input file that created this problem is:
ERROR reading coordinate file. WHAT IF is trying to recover.
Please check your SOUP carefully after this option finished.
The line in the input file that created this problem is:
ERROR reading coordinate file. WHAT IF is trying to recover.
Please check your SOUP carefully after this option finished.
The line in the input file that created this problem is:
ERROR reading coordinate file. WHAT IF is trying to recover.
Please check your SOUP carefully after this option finished.
The line in the input file that created this problem is:
ERROR reading coordinate file. WHAT IF is trying to recover.
Please check your SOUP carefully after this option finished.
The line in the input file that created this problem is:
ERROR reading coordinate file. WHAT IF is trying to recover.
Please check your SOUP carefully after this option finished.
The line in the input file that created this problem is:
ERROR reading coordinate file. WHAT IF is trying to recover.
Please check your SOUP carefully after this option finished.
The line in the input file that created this problem is:
ERROR reading coordinate file. WHAT IF is trying to recover.
Please check your SOUP carefully after this option finished.
The line in the input file that created this problem is:
ERROR reading coordinate file. WHAT IF is trying to recover.
Please check your SOUP carefully after this option finished.
The line in the input file that created this problem is:
ERROR reading coordinate file. WHAT IF is trying to recover.
Please check your SOUP carefully after this option finished.
The line in the input file that created this problem is:
ERROR reading coordinate file. WHAT IF is trying to recover.
Please check your SOUP carefully after this option finished.
The line in the input file that created this problem is:
ERROR reading coordinate file. WHAT IF is trying to recover.
Please check your SOUP carefully after this option finished.
The line in the input file that created this problem is:
ERROR reading coordinate file. WHAT IF is trying to recover.
Please check your SOUP carefully after this option finished.
The line in the input file that created this problem is:
ERROR reading coordinate file. WHAT IF is trying to recover.
Please check your SOUP carefully after this option finished.
The line in the input file that created this problem is:
ERROR reading coordinate file. WHAT IF is trying to recover.
Please check your SOUP carefully after this option finished.
The line in the input file that created this problem is:
ERROR reading coordinate file. WHAT IF is trying to recover.
Please check your SOUP carefully after this option finished.
The line in the input file that created this problem is:
ERROR reading coordinate file. WHAT IF is trying to recover.
Please check your SOUP carefully after this option finished.
The line in the input file that created this problem is:
ERROR reading coordinate file. WHAT IF is trying to recover.
Please check your SOUP carefully after this option finished.
The line in the input file that created this problem is:
ERROR reading coordinate file. WHAT IF is trying to recover.
Please check your SOUP carefully after this option finished.
The line in the input file that created this problem is:
ERROR reading coordinate file. WHAT IF is trying to recover.
Please check your SOUP carefully after this option finished.
The line in the input file that created this problem is:
ERROR reading coordinate file. WHAT IF is trying to recover.
Please check your SOUP carefully after this option finished.
The line in the input file that created this problem is:
ERROR reading coordinate file. WHAT IF is trying to recover.
Please check your SOUP carefully after this option finished.
The line in the input file that created this problem is:
ERROR reading coordinate file. WHAT IF is trying to recover.
Please check your SOUP carefully after this option finished.
The line in the input file that created this problem is:
ERROR reading coordinate file. WHAT IF is trying to recover.
Please check your SOUP carefully after this option finished.
The line in the input file that created this problem is:
ERROR reading coordinate file. WHAT IF is trying to recover.
Please check your SOUP carefully after this option finished.
The line in the input file that created this problem is:
ERROR reading coordinate file. WHAT IF is trying to recover.
Please check your SOUP carefully after this option finished.
The line in the input file that created this problem is:
ERROR reading coordinate file. WHAT IF is trying to recover.
Please check your SOUP carefully after this option finished.
The line in the input file that created this problem is:
ERROR reading coordinate file. WHAT IF is trying to recover.
Please check your SOUP carefully after this option finished.
The line in the input file that created this problem is:
ERROR reading coordinate file. WHAT IF is trying to recover.
Please check your SOUP carefully after this option finished.
The line in the input file that created this problem is:
ERROR reading coordinate file. WHAT IF is trying to recover.
Please check your SOUP carefully after this option finished.
The line in the input file that created this problem is:
ERROR reading coordinate file. WHAT IF is trying to recover.
Please check your SOUP carefully after this option finished.
The line in the input file that created this problem is:
ERROR reading coordinate file. WHAT IF is trying to recover.
Please check your SOUP carefully after this option finished.
The line in the input file that created this problem is:
ERROR reading coordinate file. WHAT IF is trying to recover.
Please check your SOUP carefully after this option finished.
The line in the input file that created this problem is:
ERROR reading coordinate file. WHAT IF is trying to recover.
Please check your SOUP carefully after this option finished.
The line in the input file that created this problem is:
ERROR reading coordinate file. WHAT IF is trying to recover.
Please check your SOUP carefully after this option finished.
The line in the input file that created this problem is:
ERROR reading coordinate file. WHAT IF is trying to recover.
Please check your SOUP carefully after this option finished.
The line in the input file that created this problem is:
ERROR reading coordinate file. WHAT IF is trying to recover.
Please check your SOUP carefully after this option finished.
The line in the input file that created this problem is:
ERROR reading coordinate file. WHAT IF is trying to recover.
Please check your SOUP carefully after this option finished.
The line in the input file that created this problem is:
ERROR reading coordinate file. WHAT IF is trying to recover.
Please check your SOUP carefully after this option finished.
The line in the input file that created this problem is:
ERROR reading coordinate file. WHAT IF is trying to recover.
Please check your SOUP carefully after this option finished.
The line in the input file that created this problem is:
ERROR reading coordinate file. WHAT IF is trying to recover.
Please check your SOUP carefully after this option finished.
The line in the input file that created this problem is:
ERROR reading coordinate file. WHAT IF is trying to recover.
Please check your SOUP carefully after this option finished.
The line in the input file that created this problem is:
ERROR reading coordinate file. WHAT IF is trying to recover.
Please check your SOUP carefully after this option finished.
The line in the input file that created this problem is:
ERROR reading coordinate file. WHAT IF is trying to recover.
Please check your SOUP carefully after this option finished.
The line in the input file that created this problem is:
ERROR reading coordinate file. WHAT IF is trying to recover.
Please check your SOUP carefully after this option finished.
The line in the input file that created this problem is:
ERROR reading coordinate file. WHAT IF is trying to recover.
Please check your SOUP carefully after this option finished.
The line in the input file that created this problem is:
ERROR reading coordinate file. WHAT IF is trying to recover.
Please check your SOUP carefully after this option finished.
The line in the input file that created this problem is:
ERROR reading coordinate file. WHAT IF is trying to recover.
Please check your SOUP carefully after this option finished.
The line in the input file that created this problem is:
ERROR reading coordinate file. WHAT IF is trying to recover.
Please check your SOUP carefully after this option finished.
The line in the input file that created this problem is:
ERROR reading coordinate file. WHAT IF is trying to recover.
Please check your SOUP carefully after this option finished.
The line in the input file that created this problem is:
ERROR reading coordinate file. WHAT IF is trying to recover.
Please check your SOUP carefully after this option finished.
The line in the input file that created this problem is:
ERROR reading coordinate file. WHAT IF is trying to recover.
Please check your SOUP carefully after this option finished.
The line in the input file that created this problem is:
ERROR reading coordinate file. WHAT IF is trying to recover.
Please check your SOUP carefully after this option finished.
The line in the input file that created this problem is:
ERROR reading coordinate file. WHAT IF is trying to recover.
Please check your SOUP carefully after this option finished.
The line in the input file that created this problem is:
ERROR reading coordinate file. WHAT IF is trying to recover.
Please check your SOUP carefully after this option finished.
The line in the input file that created this problem is:
ERROR reading coordinate file. WHAT IF is trying to recover.
Please check your SOUP carefully after this option finished.
The line in the input file that created this problem is:
ERROR reading coordinate file. WHAT IF is trying to recover.
Please check your SOUP carefully after this option finished.
The line in the input file that created this problem is:
ERROR reading coordinate file. WHAT IF is trying to recover.
Please check your SOUP carefully after this option finished.
The line in the input file that created this problem is:
ERROR reading coordinate file. WHAT IF is trying to recover.
Please check your SOUP carefully after this option finished.
The line in the input file that created this problem is:
ERROR reading coordinate file. WHAT IF is trying to recover.
Please check your SOUP carefully after this option finished.
The line in the input file that created this problem is:
ERROR reading coordinate file. WHAT IF is trying to recover.
Please check your SOUP carefully after this option finished.
The line in the input file that created this problem is:
ERROR reading coordinate file. WHAT IF is trying to recover.
Please check your SOUP carefully after this option finished.
The line in the input file that created this problem is:
ERROR reading coordinate file. WHAT IF is trying to recover.
Please check your SOUP carefully after this option finished.
The line in the input file that created this problem is:
ERROR reading coordinate file. WHAT IF is trying to recover.
Please check your SOUP carefully after this option finished.
The line in the input file that created this problem is:
ERROR reading coordinate file. WHAT IF is trying to recover.
Please check your SOUP carefully after this option finished.
The line in the input file that created this problem is:
ERROR reading coordinate file. WHAT IF is trying to recover.
Please check your SOUP carefully after this option finished.
The line in the input file that created this problem is:
ERROR reading coordinate file. WHAT IF is trying to recover.
Please check your SOUP carefully after this option finished.
The line in the input file that created this problem is:
ERROR reading coordinate file. WHAT IF is trying to recover.
Please check your SOUP carefully after this option finished.
The line in the input file that created this problem is:
ERROR reading coordinate file. WHAT IF is trying to recover.
Please check your SOUP carefully after this option finished.
The line in the input file that created this problem is:
ERROR reading coordinate file. WHAT IF is trying to recover.
Please check your SOUP carefully after this option finished.
The line in the input file that created this problem is:
ERROR reading coordinate file. WHAT IF is trying to recover.
Please check your SOUP carefully after this option finished.
The line in the input file that created this problem is:
ERROR reading coordinate file. WHAT IF is trying to recover.
Please check your SOUP carefully after this option finished.
The line in the input file that created this problem is:
ERROR reading coordinate file. WHAT IF is trying to recover.
Please check your SOUP carefully after this option finished.
The line in the input file that created this problem is:
ERROR reading coordinate file. WHAT IF is trying to recover.
Please check your SOUP carefully after this option finished.
The line in the input file that created this problem is:
ERROR reading coordinate file. WHAT IF is trying to recover.
Please check your SOUP carefully after this option finished.
The line in the input file that created this problem is:
ERROR reading coordinate file. WHAT IF is trying to recover.
Please check your SOUP carefully after this option finished.
The line in the input file that created this problem is:
ERROR reading coordinate file. WHAT IF is trying to recover.
Please check your SOUP carefully after this option finished.
The line in the input file that created this problem is:
ERROR reading coordinate file. WHAT IF is trying to recover.
Please check your SOUP carefully after this option finished.
The line in the input file that created this problem is:
ERROR reading coordinate file. WHAT IF is trying to recover.
Please check your SOUP carefully after this option finished.
The line in the input file that created this problem is:
ERROR reading coordinate file. WHAT IF is trying to recover.
Please check your SOUP carefully after this option finished.
The line in the input file that created this problem is:
ERROR reading coordinate file. WHAT IF is trying to recover.
Please check your SOUP carefully after this option finished.
The line in the input file that created this problem is:
ERROR reading coordinate file. WHAT IF is trying to recover.
Please check your SOUP carefully after this option finished.
The line in the input file that created this problem is:
ERROR reading coordinate file. WHAT IF is trying to recover.
Please check your SOUP carefully after this option finished.
The line in the input file that created this problem is:
ERROR reading coordinate file. WHAT IF is trying to recover.
Please check your SOUP carefully after this option finished.
The line in the input file that created this problem is:
ERROR reading coordinate file. WHAT IF is trying to recover.
Please check your SOUP carefully after this option finished.
The line in the input file that created this problem is:
ERROR reading coordinate file. WHAT IF is trying to recover.
Please check your SOUP carefully after this option finished.
The line in the input file that created this problem is:
ERROR reading coordinate file. WHAT IF is trying to recover.
Please check your SOUP carefully after this option finished.
The line in the input file that created this problem is:
ERROR reading coordinate file. WHAT IF is trying to recover.
Please check your SOUP carefully after this option finished.
The line in the input file that created this problem is:
ERROR reading coordinate file. WHAT IF is trying to recover.
Please check your SOUP carefully after this option finished.
The line in the input file that created this problem is:
ERROR reading coordinate file. WHAT IF is trying to recover.
Please check your SOUP carefully after this option finished.
The line in the input file that created this problem is:
ERROR reading coordinate file. WHAT IF is trying to recover.
Please check your SOUP carefully after this option finished.
The line in the input file that created this problem is:
ERROR reading coordinate file. WHAT IF is trying to recover.
Please check your SOUP carefully after this option finished.
The line in the input file that created this problem is:
ERROR reading coordinate file. WHAT IF is trying to recover.
Please check your SOUP carefully after this option finished.
The line in the input file that created this problem is:
ERROR reading coordinate file. WHAT IF is trying to recover.
Please check your SOUP carefully after this option finished.
The line in the input file that created this problem is:
ERROR reading coordinate file. WHAT IF is trying to recover.
Please check your SOUP carefully after this option finished.
The line in the input file that created this problem is:
ERROR reading coordinate file. WHAT IF is trying to recover.
Please check your SOUP carefully after this option finished.
The line in the input file that created this problem is:
ERROR reading coordinate file. WHAT IF is trying to recover.
Please check your SOUP carefully after this option finished.
The line in the input file that created this problem is:
ERROR reading coordinate file. WHAT IF is trying to recover.
Please check your SOUP carefully after this option finished.
The line in the input file that created this problem is:
ERROR reading coordinate file. WHAT IF is trying to recover.
Please check your SOUP carefully after this option finished.
The line in the input file that created this problem is:
ERROR reading coordinate file. WHAT IF is trying to recover.
Please check your SOUP carefully after this option finished.
The line in the input file that created this problem is:
ERROR reading coordinate file. WHAT IF is trying to recover.
Please check your SOUP carefully after this option finished.
The line in the input file that created this problem is:
ERROR reading coordinate file. WHAT IF is trying to recover.
Please check your SOUP carefully after this option finished.
The line in the input file that created this problem is:
ERROR reading coordinate file. WHAT IF is trying to recover.
Please check your SOUP carefully after this option finished.
The line in the input file that created this problem is:
ERROR reading coordinate file. WHAT IF is trying to recover.
Please check your SOUP carefully after this option finished.
The line in the input file that created this problem is:
ERROR reading coordinate file. WHAT IF is trying to recover.
Please check your SOUP carefully after this option finished.
The line in the input file that created this problem is:
ERROR reading coordinate file. WHAT IF is trying to recover.
Please check your SOUP carefully after this option finished.
The line in the input file that created this problem is:
ERROR reading coordinate file. WHAT IF is trying to recover.
Please check your SOUP carefully after this option finished.
The line in the input file that created this problem is:
ERROR reading coordinate file. WHAT IF is trying to recover.
Please check your SOUP carefully after this option finished.
The line in the input file that created this problem is:
ERROR reading coordinate file. WHAT IF is trying to recover.
Please check your SOUP carefully after this option finished.
The line in the input file that created this problem is:
ERROR reading coordinate file. WHAT IF is trying to recover.
Please check your SOUP carefully after this option finished.
The line in the input file that created this problem is:
ERROR reading coordinate file. WHAT IF is trying to recover.
Please check your SOUP carefully after this option finished.
The line in the input file that created this problem is:
ERROR reading coordinate file. WHAT IF is trying to recover.
Please check your SOUP carefully after this option finished.
The line in the input file that created this problem is:
ERROR reading coordinate file. WHAT IF is trying to recover.
Please check your SOUP carefully after this option finished.
The line in the input file that created this problem is:
ERROR reading coordinate file. WHAT IF is trying to recover.
Please check your SOUP carefully after this option finished.
The line in the input file that created this problem is:
ERROR reading coordinate file. WHAT IF is trying to recover.
Please check your SOUP carefully after this option finished.
The line in the input file that created this problem is:
ERROR reading coordinate file. WHAT IF is trying to recover.
Please check your SOUP carefully after this option finished.
The line in the input file that created this problem is:
ERROR reading coordinate file. WHAT IF is trying to recover.
Please check your SOUP carefully after this option finished.
The line in the input file that created this problem is:
ERROR reading coordinate file. WHAT IF is trying to recover.
Please check your SOUP carefully after this option finished.
The line in the input file that created this problem is:
ERROR reading coordinate file. WHAT IF is trying to recover.
Please check your SOUP carefully after this option finished.
The line in the input file that created this problem is:
ERROR reading coordinate file. WHAT IF is trying to recover.
Please check your SOUP carefully after this option finished.
The line in the input file that created this problem is:
ERROR reading coordinate file. WHAT IF is trying to recover.
Please check your SOUP carefully after this option finished.
The line in the input file that created this problem is:
ERROR reading coordinate file. WHAT IF is trying to recover.
Please check your SOUP carefully after this option finished.
The line in the input file that created this problem is:
ERROR reading coordinate file. WHAT IF is trying to recover.
Please check your SOUP carefully after this option finished.
The line in the input file that created this problem is:
ERROR reading coordinate file. WHAT IF is trying to recover.
Please check your SOUP carefully after this option finished.
The line in the input file that created this problem is:
ERROR reading coordinate file. WHAT IF is trying to recover.
Please check your SOUP carefully after this option finished.
The line in the input file that created this problem is:
ERROR reading coordinate file. WHAT IF is trying to recover.
Please check your SOUP carefully after this option finished.
The line in the input file that created this problem is:
ERROR reading coordinate file. WHAT IF is trying to recover.
Please check your SOUP carefully after this option finished.
The line in the input file that created this problem is:
ERROR reading coordinate file. WHAT IF is trying to recover.
Please check your SOUP carefully after this option finished.
The line in the input file that created this problem is:
ERROR reading coordinate file. WHAT IF is trying to recover.
Please check your SOUP carefully after this option finished.
The line in the input file that created this problem is:
ERROR reading coordinate file. WHAT IF is trying to recover.
Please check your SOUP carefully after this option finished.
The line in the input file that created this problem is:
ERROR reading coordinate file. WHAT IF is trying to recover.
Please check your SOUP carefully after this option finished.
The line in the input file that created this problem is:
ERROR reading coordinate file. WHAT IF is trying to recover.
Please check your SOUP carefully after this option finished.
The line in the input file that created this problem is:
ERROR reading coordinate file. WHAT IF is trying to recover.
Please check your SOUP carefully after this option finished.
The line in the input file that created this problem is:
ERROR reading coordinate file. WHAT IF is trying to recover.
Please check your SOUP carefully after this option finished.
The line in the input file that created this problem is:
ERROR reading coordinate file. WHAT IF is trying to recover.
Please check your SOUP carefully after this option finished.
The line in the input file that created this problem is:
ERROR reading coordinate file. WHAT IF is trying to recover.
Please check your SOUP carefully after this option finished.
The line in the input file that created this problem is:
ERROR reading coordinate file. WHAT IF is trying to recover.
Please check your SOUP carefully after this option finished.
The line in the input file that created this problem is:
ERROR reading coordinate file. WHAT IF is trying to recover.
Please check your SOUP carefully after this option finished.
The line in the input file that created this problem is:
ERROR reading coordinate file. WHAT IF is trying to recover.
Please check your SOUP carefully after this option finished.
The line in the input file that created this problem is:
ERROR reading coordinate file. WHAT IF is trying to recover.
Please check your SOUP carefully after this option finished.
The line in the input file that created this problem is:
ERROR reading coordinate file. WHAT IF is trying to recover.
Please check your SOUP carefully after this option finished.
The line in the input file that created this problem is:
ERROR reading coordinate file. WHAT IF is trying to recover.
Please check your SOUP carefully after this option finished.
The line in the input file that created this problem is:
ERROR reading coordinate file. WHAT IF is trying to recover.
Please check your SOUP carefully after this option finished.
The line in the input file that created this problem is:
ERROR reading coordinate file. WHAT IF is trying to recover.
Please check your SOUP carefully after this option finished.
The line in the input file that created this problem is:
ERROR reading coordinate file. WHAT IF is trying to recover.
Please check your SOUP carefully after this option finished.
The line in the input file that created this problem is:
ERROR reading coordinate file. WHAT IF is trying to recover.
Please check your SOUP carefully after this option finished.
The line in the input file that created this problem is:
ERROR reading coordinate file. WHAT IF is trying to recover.
Please check your SOUP carefully after this option finished.
The line in the input file that created this problem is:
ERROR reading coordinate file. WHAT IF is trying to recover.
Please check your SOUP carefully after this option finished.
The line in the input file that created this problem is:
ERROR reading coordinate file. WHAT IF is trying to recover.
Please check your SOUP carefully after this option finished.
The line in the input file that created this problem is:
ERROR reading coordinate file. WHAT IF is trying to recover.
Please check your SOUP carefully after this option finished.
The line in the input file that created this problem is:
ERROR reading coordinate file. WHAT IF is trying to recover.
Please check your SOUP carefully after this option finished.
The line in the input file that created this problem is:
ERROR reading coordinate file. WHAT IF is trying to recover.
Please check your SOUP carefully after this option finished.
The line in the input file that created this problem is:
ERROR reading coordinate file. WHAT IF is trying to recover.
Please check your SOUP carefully after this option finished.
The line in the input file that created this problem is:
ERROR reading coordinate file. WHAT IF is trying to recover.
Please check your SOUP carefully after this option finished.
The line in the input file that created this problem is:
ERROR reading coordinate file. WHAT IF is trying to recover.
Please check your SOUP carefully after this option finished.
The line in the input file that created this problem is:
ERROR reading coordinate file. WHAT IF is trying to recover.
Please check your SOUP carefully after this option finished.
The line in the input file that created this problem is:
ERROR reading coordinate file. WHAT IF is trying to recover.
Please check your SOUP carefully after this option finished.
The line in the input file that created this problem is:
ERROR reading coordinate file. WHAT IF is trying to recover.
Please check your SOUP carefully after this option finished.
The line in the input file that created this problem is:
ERROR reading coordinate file. WHAT IF is trying to recover.
Please check your SOUP carefully after this option finished.
The line in the input file that created this problem is:
ERROR reading coordinate file. WHAT IF is trying to recover.
Please check your SOUP carefully after this option finished.
The line in the input file that created this problem is:
ERROR reading coordinate file. WHAT IF is trying to recover.
Please check your SOUP carefully after this option finished.
The line in the input file that created this problem is:
ERROR reading coordinate file. WHAT IF is trying to recover.
Please check your SOUP carefully after this option finished.
The line in the input file that created this problem is:
ERROR reading coordinate file. WHAT IF is trying to recover.
Please check your SOUP carefully after this option finished.
The line in the input file that created this problem is:
ERROR reading coordinate file. WHAT IF is trying to recover.
Please check your SOUP carefully after this option finished.
The line in the input file that created this problem is:
ERROR reading coordinate file. WHAT IF is trying to recover.
Please check your SOUP carefully after this option finished.
The line in the input file that created this problem is:
ERROR reading coordinate file. WHAT IF is trying to recover.
Please check your SOUP carefully after this option finished.
The line in the input file that created this problem is:
ERROR reading coordinate file. WHAT IF is trying to recover.
Please check your SOUP carefully after this option finished.
The line in the input file that created this problem is:
ERROR reading coordinate file. WHAT IF is trying to recover.
Please check your SOUP carefully after this option finished.
The line in the input file that created this problem is:
ERROR reading coordinate file. WHAT IF is trying to recover.
Please check your SOUP carefully after this option finished.
The line in the input file that created this problem is:
ERROR reading coordinate file. WHAT IF is trying to recover.
Please check your SOUP carefully after this option finished.
The line in the input file that created this problem is:
ERROR reading coordinate file. WHAT IF is trying to recover.
Please check your SOUP carefully after this option finished.
The line in the input file that created this problem is:
ERROR reading coordinate file. WHAT IF is trying to recover.
Please check your SOUP carefully after this option finished.
The line in the input file that created this problem is:
ERROR reading coordinate file. WHAT IF is trying to recover.
Please check your SOUP carefully after this option finished.
The line in the input file that created this problem is:
ERROR reading coordinate file. WHAT IF is trying to recover.
Please check your SOUP carefully after this option finished.
The line in the input file that created this problem is:
ERROR reading coordinate file. WHAT IF is trying to recover.
Please check your SOUP carefully after this option finished.
The line in the input file that created this problem is:
ERROR reading coordinate file. WHAT IF is trying to recover.
Please check your SOUP carefully after this option finished.
The line in the input file that created this problem is:
ERROR reading coordinate file. WHAT IF is trying to recover.
Please check your SOUP carefully after this option finished.
The line in the input file that created this problem is:
ERROR reading coordinate file. WHAT IF is trying to recover.
Please check your SOUP carefully after this option finished.
The line in the input file that created this problem is:
ERROR reading coordinate file. WHAT IF is trying to recover.
Please check your SOUP carefully after this option finished.
The line in the input file that created this problem is:
ERROR reading coordinate file. WHAT IF is trying to recover.
Please check your SOUP carefully after this option finished.
The line in the input file that created this problem is:
ERROR reading coordinate file. WHAT IF is trying to recover.
Please check your SOUP carefully after this option finished.
The line in the input file that created this problem is:
ERROR reading coordinate file. WHAT IF is trying to recover.
Please check your SOUP carefully after this option finished.
The line in the input file that created this problem is:
ERROR reading coordinate file. WHAT IF is trying to recover.
Please check your SOUP carefully after this option finished.
The line in the input file that created this problem is:
ERROR reading coordinate file. WHAT IF is trying to recover.
Please check your SOUP carefully after this option finished.
The line in the input file that created this problem is:
ERROR reading coordinate file. WHAT IF is trying to recover.
Please check your SOUP carefully after this option finished.
The line in the input file that created this problem is:
ERROR reading coordinate file. WHAT IF is trying to recover.
Please check your SOUP carefully after this option finished.
The line in the input file that created this problem is:
ERROR reading coordinate file. WHAT IF is trying to recover.
Please check your SOUP carefully after this option finished.
The line in the input file that created this problem is:
ERROR reading coordinate file. WHAT IF is trying to recover.
Please check your SOUP carefully after this option finished.
The line in the input file that created this problem is:
ERROR reading coordinate file. WHAT IF is trying to recover.
Please check your SOUP carefully after this option finished.
The line in the input file that created this problem is:
ERROR reading coordinate file. WHAT IF is trying to recover.
Please check your SOUP carefully after this option finished.
The line in the input file that created this problem is:
ERROR reading coordinate file. WHAT IF is trying to recover.
Please check your SOUP carefully after this option finished.
The line in the input file that created this problem is:
ERROR reading coordinate file. WHAT IF is trying to recover.
Please check your SOUP carefully after this option finished.
The line in the input file that created this problem is:
ERROR reading coordinate file. WHAT IF is trying to recover.
Please check your SOUP carefully after this option finished.
The line in the input file that created this problem is:
ERROR reading coordinate file. WHAT IF is trying to recover.
Please check your SOUP carefully after this option finished.
The line in the input file that created this problem is:
ERROR reading coordinate file. WHAT IF is trying to recover.
Please check your SOUP carefully after this option finished.
The line in the input file that created this problem is:
ERROR reading coordinate file. WHAT IF is trying to recover.
Please check your SOUP carefully after this option finished.
The line in the input file that created this problem is:
ERROR reading coordinate file. WHAT IF is trying to recover.
Please check your SOUP carefully after this option finished.
The line in the input file that created this problem is:
ERROR reading coordinate file. WHAT IF is trying to recover.
Please check your SOUP carefully after this option finished.
The line in the input file that created this problem is:
ERROR reading coordinate file. WHAT IF is trying to recover.
Please check your SOUP carefully after this option finished.
The line in the input file that created this problem is:
ERROR reading coordinate file. WHAT IF is trying to recover.
Please check your SOUP carefully after this option finished.
The line in the input file that created this problem is:
ERROR reading coordinate file. WHAT IF is trying to recover.
Please check your SOUP carefully after this option finished.
The line in the input file that created this problem is:
ERROR reading coordinate file. WHAT IF is trying to recover.
Please check your SOUP carefully after this option finished.
The line in the input file that created this problem is:
ERROR reading coordinate file. WHAT IF is trying to recover.
Please check your SOUP carefully after this option finished.
The line in the input file that created this problem is:
ERROR reading coordinate file. WHAT IF is trying to recover.
Please check your SOUP carefully after this option finished.
The line in the input file that created this problem is:
ERROR reading coordinate file. WHAT IF is trying to recover.
Please check your SOUP carefully after this option finished.
The line in the input file that created this problem is:
ERROR reading coordinate file. WHAT IF is trying to recover.
Please check your SOUP carefully after this option finished.
The line in the input file that created this problem is:
ERROR reading coordinate file. WHAT IF is trying to recover.
Please check your SOUP carefully after this option finished.
The line in the input file that created this problem is:
ERROR reading coordinate file. WHAT IF is trying to recover.
Please check your SOUP carefully after this option finished.
The line in the input file that created this problem is:
ERROR reading coordinate file. WHAT IF is trying to recover.
Please check your SOUP carefully after this option finished.
The line in the input file that created this problem is:
ERROR reading coordinate file. WHAT IF is trying to recover.
Please check your SOUP carefully after this option finished.
The line in the input file that created this problem is:
ERROR reading coordinate file. WHAT IF is trying to recover.
Please check your SOUP carefully after this option finished.
The line in the input file that created this problem is:
ERROR reading coordinate file. WHAT IF is trying to recover.
Please check your SOUP carefully after this option finished.
The line in the input file that created this problem is:
ERROR reading coordinate file. WHAT IF is trying to recover.
Please check your SOUP carefully after this option finished.
The line in the input file that created this problem is:
ERROR reading coordinate file. WHAT IF is trying to recover.
Please check your SOUP carefully after this option finished.
The line in the input file that created this problem is:
ERROR reading coordinate file. WHAT IF is trying to recover.
Please check your SOUP carefully after this option finished.
The line in the input file that created this problem is:
ERROR reading coordinate file. WHAT IF is trying to recover.
Please check your SOUP carefully after this option finished.
The line in the input file that created this problem is:
ERROR reading coordinate file. WHAT IF is trying to recover.
Please check your SOUP carefully after this option finished.
The line in the input file that created this problem is:
ERROR reading coordinate file. WHAT IF is trying to recover.
Please check your SOUP carefully after this option finished.
The line in the input file that created this problem is:
ERROR reading coordinate file. WHAT IF is trying to recover.
Please check your SOUP carefully after this option finished.
The line in the input file that created this problem is:
ERROR reading coordinate file. WHAT IF is trying to recover.
Please check your SOUP carefully after this option finished.
The line in the input file that created this problem is:
ERROR reading coordinate file. WHAT IF is trying to recover.
Please check your SOUP carefully after this option finished.
The line in the input file that created this problem is:
ERROR reading coordinate file. WHAT IF is trying to recover.
Please check your SOUP carefully after this option finished.
The line in the input file that created this problem is:
ERROR reading coordinate file. WHAT IF is trying to recover.
Please check your SOUP carefully after this option finished.
The line in the input file that created this problem is:
ERROR reading coordinate file. WHAT IF is trying to recover.
Please check your SOUP carefully after this option finished.
The line in the input file that created this problem is:
ERROR reading coordinate file. WHAT IF is trying to recover.
Please check your SOUP carefully after this option finished.
The line in the input file that created this problem is:
ERROR reading coordinate file. WHAT IF is trying to recover.
Please check your SOUP carefully after this option finished.
The line in the input file that created this problem is:
ERROR reading coordinate file. WHAT IF is trying to recover.
Please check your SOUP carefully after this option finished.
The line in the input file that created this problem is:
ERROR reading coordinate file. WHAT IF is trying to recover.
Please check your SOUP carefully after this option finished.
The line in the input file that created this problem is:
ERROR reading coordinate file. WHAT IF is trying to recover.
Please check your SOUP carefully after this option finished.
The line in the input file that created this problem is:
ERROR reading coordinate file. WHAT IF is trying to recover.
Please check your SOUP carefully after this option finished.
The line in the input file that created this problem is:
ERROR reading coordinate file. WHAT IF is trying to recover.
Please check your SOUP carefully after this option finished.
The line in the input file that created this problem is:
ERROR reading coordinate file. WHAT IF is trying to recover.
Please check your SOUP carefully after this option finished.
The line in the input file that created this problem is:
ERROR reading coordinate file. WHAT IF is trying to recover.
Please check your SOUP carefully after this option finished.
The line in the input file that created this problem is:
ERROR reading coordinate file. WHAT IF is trying to recover.
Please check your SOUP carefully after this option finished.
The line in the input file that created this problem is:
ERROR reading coordinate file. WHAT IF is trying to recover.
Please check your SOUP carefully after this option finished.
The line in the input file that created this problem is:
ERROR reading coordinate file. WHAT IF is trying to recover.
Please check your SOUP carefully after this option finished.
The line in the input file that created this problem is:
ERROR reading coordinate file. WHAT IF is trying to recover.
Please check your SOUP carefully after this option finished.
The line in the input file that created this problem is:
ERROR reading coordinate file. WHAT IF is trying to recover.
Please check your SOUP carefully after this option finished.
The line in the input file that created this problem is:
ERROR reading coordinate file. WHAT IF is trying to recover.
Please check your SOUP carefully after this option finished.
The line in the input file that created this problem is:
ERROR reading coordinate file. WHAT IF is trying to recover.
Please check your SOUP carefully after this option finished.
The line in the input file that created this problem is:
ERROR reading coordinate file. WHAT IF is trying to recover.
Please check your SOUP carefully after this option finished.
The line in the input file that created this problem is:
ERROR reading coordinate file. WHAT IF is trying to recover.
Please check your SOUP carefully after this option finished.
The line in the input file that created this problem is:
ERROR reading coordinate file. WHAT IF is trying to recover.
Please check your SOUP carefully after this option finished.
The line in the input file that created this problem is:
ERROR reading coordinate file. WHAT IF is trying to recover.
Please check your SOUP carefully after this option finished.
The line in the input file that created this problem is:
 
# 2 # Note: Header records from PDB file
Header records from PDB file.
 
HEADER                                                        4ZPT
 
# 3 # Error: Missing unit cell information
No SCALE matrix is given in the PDB file.
 
# 4 # Note: Proposal for corrected SCALE matrix
A corrected SCALE matrix has been derived.
 
Proposed scale matrix
  0.013431  0.000000  0.000000
  0.000000  0.007765  0.000000
  0.000000  0.000000  0.005852
 
# 5 # Note: Non crystallographic symmetry RMS plot
The plot shows the RMS differences between two similar chains on a residue-
by-residue basis. Individual "spikes" can be indicative of interesting or
wrong residues. If all residues show a high RMS value, the structure could
be incorrectly refined.
 
In the TeX file, a plot has been inserted here
 
Chain identifiers of the two chains: B and L
 
 All-atom RMS fit for the two chains : 0.950
 CA-only RMS fit for the two chains : 0.675
 
# 6 # Note: Non crystallographic symmetry backbone difference plot
The plot shows the differences in backbone torsion angles between two
similar chains on a residue-by-residue basis. Individual "spikes" can be
indicative of interesting or wrong residues. If all residues show high
differences, the structure could be incorrectly refined.
 
In the TeX file, a plot has been inserted here
 
Chain identifiers of the two chains: B and L
 
# 7 # Note: Non crystallographic symmetry RMS plot
The plot shows the RMS differences between two similar chains on a residue-
by-residue basis. Individual "spikes" can be indicative of interesting or
wrong residues. If all residues show a high RMS value, the structure could
be incorrectly refined.
 
In the TeX file, a plot has been inserted here
 
Chain identifiers of the two chains: R and S
 
 All-atom RMS fit for the two chains : 1.116
 CA-only RMS fit for the two chains : 0.644
 
# 8 # Note: Non crystallographic symmetry backbone difference plot
The plot shows the differences in backbone torsion angles between two
similar chains on a residue-by-residue basis. Individual "spikes" can be
indicative of interesting or wrong residues. If all residues show high
differences, the structure could be incorrectly refined.
 
In the TeX file, a plot has been inserted here
 
Chain identifiers of the two chains: R and S
 
# 9 # Warning: Problem detected upon counting molecules and matrices
The parameter Z as given on the CRYST card represents the molecular
multiplicity in the crystallographic cell. Normally, Z equals the number of
matrices of the space group multiplied by the number of NCS relations. The
value of Z is multiplied by the integrated molecular weight of the molecules
in the file to determine the Matthews coefficient. This relation is being
validated in this option. Be aware that the validation can get confused if
both multiple copies of the molecule are present in the ATOM records and
MTRIX records are present in the header of the PDB file.
 
 Space group as read from CRYST card: P 21 21 21
 Number of matrices in space group: 4
 Highest polymer chain multiplicity in structure: 2
 Highest polymer chain multiplicity according to SEQRES: 2
 No explicit MTRIX NCS matrices found in the input file
 Value of Z as found on the CRYST1 card: 0
 Z, symmetry, and molecular multiplicity disagree
 Could it be that Z must be: 8
 
# 10 # Error: Matthews Coefficient (Vm) very high
 
The Matthews coefficient [REF] is defined as the density of the protein
structure in cubic Angstroms per Dalton. Normal values are between 1.5
(tightly packed, little room for solvent) and 4.0 (loosely packed, much
space for solvent). Some very loosely packed structures can get values a bit
higher than that.
 
Numbers this high are almost always caused by giving the wrong value for Z
on the CRYST1 card (or not giving this number at all).
 
 Molecular weight of all polymer chains: 138478.812
 Volume of the Unit Cell V= 1638426.1
 Space group multiplicity: 4
 No NCS symmetry matrices (MTRIX records) found in PDB file
 Matthews coefficient for observed atoms and Z is high: Vm= 23.663
 A few residues have missing atoms that did not enter the Vm calculation
 No Matthews coefficient given in REMARK 280
 Or should we use the previously suggested Z = 8
 which would result in Vm= 2.958
 And remember, a matrix counting problem has been reported earlier already
 
# 11 # Note: All atoms are sufficiently far away from symmetry axes
None of the atoms in the structure is closer than 0.77 Angstrom to a proper
symmetry axis.
 
# 12 # Note: Chain identifiers OK
WHAT CHECK has not detected any serious chain identifier problems. But be
aware that WHAT CHECK doesn't care about the chain identifiers of waters.
 
# 13 # Note: No strange inter-chain connections detected
No covalent bonds have been detected between molecules with non-identical
chain identifiers.
 
# 14 # Note: No duplicate atom names in ligands
All atom names in ligands (if any) seem adequately unique.
 
# 15 # Note: In all cases the primary alternate atom was used
WHAT CHECK saw no need to make any alternate atom corrections (which means
they either are all correct, or there are none).
 
# 16 # Note: No residues detected inside ligands
Either this structure does not contain ligands with amino acid groups inside
it, or their naming is proper (enough).
 
# 17 # Note: No attached groups interfere with hydrogen bond calculations
It seems there are no sugars, lipids, etc., bound (or very close) to atoms
that otherwise could form hydrogen bonds.
 
# 18 # Note: No probable side chain atoms with zero occupancy detected.
Either there are no side chain atoms with zero occupancy, or the side chain
atoms with zero occupancy were not present in the input PDB file (in which
case they are listed as missing atoms), or their positions are sufficiently
improbable to warrant a zero occupancy.
 
# 19 # Note: No probable backbone atoms with zero occupancy detected.
Either there are no backbone atoms with zero occupancy, or the backbone
atoms with zero occupancy were left out of the input PDB file (in
which case they are listed as missing atoms), or their positions are
sufficiently improbable to warrant a zero occupancy.
Residue with missing backbone atom(s)   634 GLU (   1-)H  -
 
# 20 # Warning: Residues with missing backbone atoms.
Residues were detected with missing backbone atoms. This can be a normal
result of poor or missing density, but it can also be an error.
 
In X-ray the coordinates must be located in density. Mobility or disorder
sometimes cause this density to be so poor that the positions of the atoms
cannot be determined. Crystallographers tend to leave out the atoms in such
cases. This is not an error, albeit that we would prefer them to give it
their best shot and provide coordinates with an occupancy of zero in cases
where only a few atoms are involved. Anyway, several checks depend on the
presence of the backbone atoms, so if you find errors in, or directly
adjacent to, residues with missing backbone atoms, then please check by hand
what is going on.
 
  634 GLU  (   1-) H  -
 
# 21 # Note: No C-alpha only residues
There are no residues that consist of only an alpha carbon atom.
 
# 22 # Note: Content of the PDB file as interpreted by WHAT CHECK
Content of the PDB file as interpreted by WHAT CHECK.
WHAT CHECK has read your PDB file, and stored it internally in what is called
'the soup'. The content of this soup is listed here. An extensive explanation
of all frequently used WHAT CHECK output formats can be found at
swift.cmbi.ru.nl. Look under output formats. A course on reading this
'Molecules' table is part of the WHAT CHECK website.
 
     1     1 (    1)   213 (  213) A Protein             /zata/tempdir/4zp...
     2   214 (    1)   425 (  212) B Protein             /zata/tempdir/4zp...
     3   426 (  381)   633 (  588) R Protein             /zata/tempdir/4zp...
     4   634 (    1)   847 (  213) H Protein             /zata/tempdir/4zp...
     5   848 (  381)  1055 (  588) S Protein             /zata/tempdir/4zp...
     6  1056 (    1)  1267 (  212) L Protein             /zata/tempdir/4zp...
     7  1268 (  601)  1268 (  601) R Sugar               /zata/tempdir/4zp...
     8  1269 (  601)  1269 (  601) S Sugar               /zata/tempdir/4zp...
     9  1270 (  213)  1270 (  213) A R O2 <-   213       /zata/tempdir/4zp...
    10  1271 (  588)  1271 (  588) R L O2 <-   633       /zata/tempdir/4zp...
    11  1272 (  213)  1272 (  213) H R O2 <-   847       /zata/tempdir/4zp...
    12  1273 (  588)  1273 (  588) S L O2 <-  1055       /zata/tempdir/4zp...
    13  1274 ( HOH )  1274 ( HOH ) A water   (    1)     /zata/tempdir/4zp...
    14  1275 ( HOH )  1275 ( HOH ) B water   (    1)     /zata/tempdir/4zp...
    15  1276 ( HOH )  1276 ( HOH ) R water   (    1)     /zata/tempdir/4zp...
    16  1277 ( HOH )  1277 ( HOH ) H water   (    1)     /zata/tempdir/4zp...
    17  1278 ( HOH )  1278 ( HOH ) S water   (    1)     /zata/tempdir/4zp...
    18  1279 ( HOH )  1279 ( HOH ) L water   (    1)     /zata/tempdir/4zp...
MODELs skipped upon reading PDB file: 0
X-ray structure. No MODELs found
The total number of amino acids found is 1267
of which 4 have poor or (essentially) missing atoms
No nucleic acids observed in input file
Number of (recognized) sugars: 2
of which 2 have poor or (essentially) missing atoms
Number of water molecules: 6
Residue numbers increase monotonously OK
ERROR. File not found:
TAPEOUT.DAT
ERROR. File not found:
TAPEOUT.DAT
ERROR. File not found:
TAPEOUT.DAT
ERROR. File not found:
TAPEOUT.DAT
ERROR. File not found:
TAPEOUT.DAT
ERROR. File not found:
TAPEOUT.DAT
 
# 23 # Note: Ramachandran plot
In this Ramachandran plot x-signs represent glycines, squares represent
prolines, and plus-signs represent the other residues. If too many
plus-signs fall outside the contoured areas then the molecule is poorly
refined (or worse). Proline can only occur in the narrow region around
phi=-60 that also falls within the other contour islands.
 
In a colour picture, the residues that are part of a helix are shown in blue,
strand residues in red. Preferred regions for helical residues are drawn in
blue, for strand residues in red, and for all other residues in green. A full
explanation of the Ramachandran plot together with a series of examples can
be found at the WHAT CHECK website [REF].
 
In the TeX file, a plot has been inserted here
 
Chain identifier: A
 
# 24 # Note: Ramachandran plot
 
 
In the TeX file, a plot has been inserted here
 
Chain identifier: B
 
# 25 # Note: Ramachandran plot
 
 
In the TeX file, a plot has been inserted here
 
Chain identifier: R
 
# 26 # Note: Ramachandran plot
 
 
In the TeX file, a plot has been inserted here
 
Chain identifier: H
 
# 27 # Note: Ramachandran plot
 
 
In the TeX file, a plot has been inserted here
 
Chain identifier: S
 
# 28 # Note: Ramachandran plot
 
 
In the TeX file, a plot has been inserted here
 
Chain identifier: L
 
# 29 # Note: Secondary structure
This is the secondary structure according to DSSP. Only helix (H), overwound
or 3/10-helix (3), strand (S), turn (T) and coil (blank) are shown [REF].
All DSSP related information can be found at swift.cmbi.ru.nl/gv/dssp/
This is not really a structure validation option, but a very scattered
secondary structure (i.e. many strands of only a few residues length, many
Ts inside helices, etc) tends to indicate a poor structure. A full
explanation of the DSSP secondary structure determination program together
with a series of examples can be found at the WHAT CHECK website [REF].
 
Secondary structure assignment
                     10        20        30        40        50        60
                      |         |         |         |         |         |
    1 -   60 EVKLVESGGGLVKPGGSLKLSCAASGFTFSSYAMSWVRQTPEKRLEWVATISSGGTYTYY
(   1)-(  59)
                     70        80        90       100       110       120
                      |         |         |         |         |         |
   61 -  120 PDSVKGRFTISRDNAENTLYLQMSSLRSEDTAMYYCVRDGNSMDYWGQGTSVTVSSAKTT
(  60)-( 117)
                    130       140       150       160       170       180
                      |         |         |         |         |         |
  121 -  180 APSVYPLAPVCTGSSVTLGCLVKGYFPEPVTLTWNSGSLSSGVHTFPAVLQSDLYTLSSS
( 118)-( 180)
                    190       200       210
                      |         |         |
  181 -  213 VTVTSSTWPSQSITCNVAHPASSTKVDKKIEPR
( 181)-( 213)
                 220       230       240       250       260       270
                   |         |         |         |         |         |
  214 -  273 DIQMTQTTSSLSASLGDRVTIICRASQDINNYLNWYQQKPDGTVKLLIYYTSRLHSGVPS
(   1)-(  60)
                 280       290       300       310       320       330
                   |         |         |         |         |         |
  274 -  333 RFSGSGSGSDYSLTISNLEQEDIATYFCQQANTLPPTFGAGTKLELRRADAAPTVSIFPP
(  61)-( 120)
                 340       350       360       370       380       390
                   |         |         |         |         |         |
  334 -  393 SSEQLTSGGASVVCFLNNFYPKDINVKWKIDGSERQNGVLNSWTDQDSKDSTYSMSSTLT
( 121)-( 180)
                 400       410       420
                   |         |         |
  394 -  425 LTKDEYERHNSYTCEATHKTSTSPIVKSFNRN
( 181)-( 212)
               430       440       450       460       470       480
                 |         |         |         |         |         |
  426 -  485 VECDFSPLLSGTPPQVYNFKRLVFTNCNYNLTKLLSLFSVNDFTCSQISPAAIASNCYSS
( 381)-( 440)
               490       500       510       520       530       540
                 |         |         |         |         |         |
  486 -  545 LILDYFSYPLSMKSDLSVSSAGPISQFNYKQSFSNPTCLILATVPHNLTTITKPLKYSYI
( 441)-( 500)
               550       560       570       580       590       600
                 |         |         |         |         |         |
  546 -  605 NKCSRFLSDDRTEVPQLVNANQYSPCVSIVPSTVWEDGDYYRKQLSPLEGGGWLVASGST
( 501)-( 560)
               610       620       630
                 |         |         |
  606 -  633 VAMTEQLQMGFGITVQYGTDTNSVCPKL
( 561)-( 588)
                 640       650       660       670       680       690
                   |         |         |         |         |         |
  634 -  693 EVKLVESGGGLVKPGGSLKLSCAASGFTFSSYAMSWVRQTPEKRLEWVATISSGGTYTYY
(   1)-(  59)
                 700       710       720       730       740       750
                   |         |         |         |         |         |
  694 -  753 PDSVKGRFTISRDNAENTLYLQMSSLRSEDTAMYYCVRDGNSMDYWGQGTSVTVSSAKTT
(  60)-( 117)
                 760       770       780       790       800       810
                   |         |         |         |         |         |
  754 -  813 APSVYPLAPVCGTGSSVTLGCLVKGYFPEPVTLTWNSGSLSSGVHTFPAVLQSDLYTLSS
( 118)-( 179)
                 820       830       840
                   |         |         |
  814 -  847 SVTVTSSTWPSQSITCNVAHPASSTKVDKKIEPR
( 180)-( 213)
             850       860       870       880       890       900
               |         |         |         |         |         |
  848 -  907 VECDFSPLLSGTPPQVYNFKRLVFTNCNYNLTKLLSLFSVNDFTCSQISPAAIASNCYSS
( 381)-( 440)
             910       920       930       940       950       960
               |         |         |         |         |         |
  908 -  967 LILDYFSYPLSMKSDLSVSSAGPISQFNYKQSFSNPTCLILATVPHNLTTITKPLKYSYI
( 441)-( 500)
             970       980       990      1000      1010      1020
               |         |         |         |         |         |
  968 - 1027 NKCSRFLSDDRTEVPQLVNANQYSPCVSIVPSTVWEDGDYYRKQLSPLEGGGWLVASGST
( 501)-( 560)
            1030      1040      1050
               |         |         |
 1028 - 1055 VAMTEQLQMGFGITVQYGTDTNSVCPKL
( 561)-( 588)
              1060      1070      1080      1090      1100      1110
                 |         |         |         |         |         |
 1056 - 1115 DIQMTQTTSSLSASLGDRVTIICRASQDINNYLNWYQQKPDGTVKLLIYYTSRLHSGVPS
(   1)-(  60)
              1120      1130      1140      1150      1160      1170
                 |         |         |         |         |         |
 1116 - 1175 RFSGSGSGSDYSLTISNLEQEDIATYFCQQANTLPPTFGAGTKLELRRADAAPTVSIFPP
(  61)-( 120)
              1180      1190      1200      1210      1220      1230
                 |         |         |         |         |         |
 1176 - 1235 SSEQLTSGGASVVCFLNNFYPKDINVKWKIDGSERQNGVLNSWTDQDSKDSTYSMSSTLT
( 121)-( 180)
              1240      1250      1260
                 |         |         |
 1236 - 1267 LTKDEYERHNSYTCEATHKTSTSPIVKSFNRN
( 181)-( 212)
 
 
 
 
# 30 # Note: No rounded coordinates detected
No significant rounding of atom coordinates has been detected.
 
# 31 # Note: No artificial side chains detected
No artificial side-chain positions characterized by chi-1=0.0 or chi-1=180.0
have been detected.
 
# 32 # Warning: Missing atoms
The atoms listed in the table below are missing from the entry. If many atoms
are missing, the other checks can become less sensitive. Be aware that it
often happens that groups at the termini of DNA or RNA are really missing,
so that the absence of these atoms normally is neither an error nor the
result of poor electron density. Some of the atoms listed here might also be
listed by other checks, most noticeably by the options in the previous
section that list missing atoms in several categories. The plausible atoms
with zero occupancy are not listed here, as they already got assigned a
non-zero occupancy, and thus are no longer 'missing'.
 
  634 GLU  (   1-) H  -    N
 
# 33 # Warning: B-factors outside the range 0.0 - 100.0
In principle, B-factors can have a very wide range of values, but in
practice, B-factors should not be zero while B-factors above 100.0
are a good indicator that the location of that atom is meaningless. Be
aware that the cutoff at 100.0 is arbitrary. 'High' indicates that atoms
with a B-factor > 100.0 were observed; 'Zero' indicates that atoms with
a B-factor of zero were observed.
 
  624 THR  ( 579-) R  -   High
  625 ASP  ( 580-) R  -   High
  626 THR  ( 581-) R  -   High
 1268 NAG  ( 601-) R  -   High
 1269 NAG  ( 601-) S  -   High
 
# 34 # Note: C-terminus capping
The residues listed in the table below are either C-terminal or pseudo
C-terminal (i.e. last residue before a missing residue).
In X-ray the coordinates must be located in density. Mobility or disorder
sometimes cause this density to be so poor that the positions of the atoms
cannot be determined. Crystallographers tend to leave out the atoms in such
cases. In many cases the N- or C-terminal residues are too disordered to see.
In case of the N-terminus, you can often see from the residue numbers if
there are missing residues; at the C-terminus this is impossible. Therefore,
often the position of the backbone nitrogen of the first residue missing
at the C-terminal end is calculated and added to indicate that there
are missing residues. As a single N causes validation trouble, we remove
these single-N-residues before doing the validation. If this happened,
the label -N is added to the pseudo C-terminus. Other labels can be +X
in case something weird is bound to the backbone C, or +OXT if a spurious
OXT atom is found. -OXT indicates that an expected OXT is missing. 'Swap'
means that the O' and O'' (O and OXT in PDB files) have been swapped in
terms of nomenclature. 'Bad' means that something bad happened that WHAT IF
does not understand. In such cases you might get three residue numbers in
square brackets; one of those might be what WHAT IF had expected to find,
but then it also might not). In case of chain breaks the number of missing
residues is listen in round brackets. OK means what it suggests...
 
Be aware that we cannot easily see the difference between these errors and
errors in the chain and residue numbering schemes. So do not blindly trust
the table below. If you get weird errors at, or near, the left-over
incomplete C-terminal residue, please check by hand if a missing Oxt or
a removed single N is the cause. Also, many peptidic ligands get the same
chain identifier as the larger protein they are bound to. In such cases there
are more than one C-termini and OXTs with the same ID. WHAT IF gives some
random warnings about these cases. So, don't take everything at face value,
but think for yourself.
 
  131 CYS  ( 128-) A  -        OK (3)
  213 ARG  ( 213-) A  -        OK
  425 ASN  ( 212-) B  -        OK
  633 LEU  ( 588-) R  -        +OXT [ 633 ; 213 ; 588]
  765 GLY  ( 129-) H  -        OK (2)
  847 ARG  ( 213-) H  -        OK
 1055 LEU  ( 588-) S  -        +OXT [1055 ; 213 ; 588]
 1267 ASN  ( 212-) L  -        OK
 
# 35 # Note: Weights administratively correct
All atomic occupancy factors ('weights') fall in the 0.0--1.0 range, which
makes them administratively correct.
 
# 36 # Note: Normal distribution of occupancy values
 
The distribution of the occupancy values in this file seems 'normal'.
 
Be aware that this evaluation is merely the result of comparing this file
with about 500 well-refined high-resolution files in the PDB. If this file
has much higher or much lower resolution than the PDB files used
in WHAT CHECK's training set, non-normal values might very well be perfectly
fine, or normal values might actually be not so normal. So, this check is
actually more an indicator and certainly not a check in which I have great
confidence.
 
# 37 # Note: All occupancies seem to add up to 0.0 - 1.0.
In principle, the occupancy of all alternates of one atom should add up till
0.0 - 1.0. 0.0 is used for the missing atom (i.e. an atom not seen in the
electron density). Obviously, there is nothing terribly wrong when a few
occupancies add up to a bit more than 1.0, because the mathematics of
refinement allow for that. However, if it happens often, it seems worth
evaluating this in light of the refinement protocol used.
 
# 38 # Warning: What type of B-factor?
WHAT CHECK does not yet know well how to cope with B-factors in case TLS has
been used. It simply assumes that the B-factor listed on the ATOM and HETATM
cards are the total B-factors. When TLS refinement is used that assumption
sometimes is not correct. The header of the PDB file states that TLS groups
were used. So, if WHAT CHECK complains about your  B-factors, while you think
that they are OK, then check for TLS related B-factor problems first.
 
Number of TLS groups mentione in PDB file header: 6
 
Temperature not mentioned in PDB file. This most likely means
that the temperature record is absent.
Room temperature assumed
 
# 39 # Note: Number of buried atoms with low B-factor is OK
For protein structures determined at room temperature, no more than about 1
percent of the B factors of buried atoms is below 5.0. In liquid
nitrogen this percentage is allowed to be higher, of course.
 
Percentage of buried atoms with B less than 5 :   0.00
 
# 40 # Note: B-factor distribution normal
The distribution of B-factors within residues is within expected ranges.
A value over 1.5 here would mean that the B-factors show signs of
over-refinement.
 
RMS Z-score :  1.145 over    8689 bonds
Average difference in B over a bond :    3.02
RMS difference in B over a bond :    4.45
ERROR. File not found:
TAPEOUT.DAT
ERROR. File not found:
TAPEOUT.DAT
ERROR. File not found:
TAPEOUT.DAT
ERROR. File not found:
TAPEOUT.DAT
ERROR. File not found:
TAPEOUT.DAT
ERROR. File not found:
TAPEOUT.DAT
ERROR. File not found:
TAPEOUT.DAT
ERROR. File not found:
TAPEOUT.DAT
 
# 41 # Note: B-factor plot
The average atomic B-factor per residue is plotted as function of the residue
number.
 
In the TeX file, a plot has been inserted here
 
Chain identifier: A
 
# 42 # Note: B-factor plot
 
 
In the TeX file, a plot has been inserted here
 
Chain identifier: B
 
# 43 # Note: B-factor plot
 
 
In the TeX file, a plot has been inserted here
 
Chain identifier: R
 
# 44 # Note: B-factor plot
 
 
In the TeX file, a plot has been inserted here
 
Chain identifier: H
 
# 45 # Note: B-factor plot
 
 
In the TeX file, a plot has been inserted here
 
Chain identifier: S
 
# 46 # Note: B-factor plot
 
 
In the TeX file, a plot has been inserted here
 
Chain identifier: L
 
# 47 # Note: Introduction to the nomenclature section.
Nomenclature problems seem, at first, rather unimportant. After all who
cares if we call the delta atoms in leucine delta2 and delta1 rather than
the other way around. Chemically speaking that is correct. But structures
have not been solved and deposited just for chemists to look at them. Most
times a structure is used, it is by software in a bioinformatics lab. And
if they compare structures in which the one used C delta1 and delta2 and the
other uses C delta2 and delta1, then that comparison will fail. Also, we
recalculate all structures every so many years to make sure that everybody
always can get access to the best coordinates that can be obtained from
the (your?) experimental data. These recalculations will be troublesome if
there are nomenclature problems.
 
Several nomenclature problems actually are worse than that. At the
WHAT CHECK website [REF] you can get an overview of the importance of all
nomenclature problems that we list.
 
# 48 # Note: Valine nomenclature OK
No errors were detected in valine nomenclature.
 
# 49 # Note: Threonine nomenclature OK
No errors were detected in threonine nomenclature.
 
# 50 # Note: Isoleucine nomenclature OK
No errors were detected in isoleucine nomenclature.
 
# 51 # Note: Leucine nomenclature OK
No errors were detected in leucine nomenclature.
 
# 52 # Note: Arginine nomenclature OK
No errors were detected in arginine nomenclature.
 
# 53 # Warning: Tyrosine convention problem
The tyrosine residues listed in the table below have their chi-2 not between
-90.0 and 90.0
 
  779 TYR  ( 145-) H  -
 
# 54 # Note: Phenylalanine torsion conventions OK
No errors were detected in phenylalanine torsion angle conventions.
 
# 55 # Note: Aspartic acid torsion conventions OK
No errors were detected in aspartic acid torsion angle conventions.
 
# 56 # Note: Glutamic acid torsion conventions OK
No errors were detected in glutamic acid torsion angle conventions.
 
# 57 # Note: Phosphate group names OK in DNA/RNA
No errors were detected in nucleic acid phosphate group naming conventions
(or this structure contains no nucleic acids).
 
# 58 # Note: Heavy atom naming OK
No errors were detected in the atom names for non-hydrogen atoms. Please
be aware that the PDB wants us to deliberately make some nomenclature errors;
especially in non-canonical amino acids.
 
# 59 # Note: No decreasing residue numbers
All residue numbers are strictly increasing within each chain.
 
# 60 # Note: All bond lengths OK
All bond lengths are in agreement with standard bond lengths using a
tolerance of 4 sigma (both standard values and sigma for amino acids
have been taken from Engh and Huber [REF], for DNA/RNA from Parkinson
et al [REF]).
 
# 61 # Note: Normal bond length variability
Bond lengths were found to deviate normally from the standard bond lengths
(values for Protein residues were taken from Engh and Huber [REF], for
DNA/RNA from Parkinson et al [REF]).
 
 RMS Z-score for bond lengths: 0.360
 RMS-deviation in bond distances: 0.009
 
# 62 # Note: No bond length directionality
Comparison of bond distances with Engh and Huber [REF] standard values for
protein residues and Parkinson et al [REF] values for DNA/RNA does not show
significant systematic deviations.
 
# 63 # Warning: Unusual bond angles
The bond angles listed in the table below were found to deviate more than 4
sigma from standard bond angles (both standard values and sigma for protein
residues have been taken from Engh and Huber [REF], for DNA/RNA from
Parkinson et al [REF]). In the table below for each strange angle the bond
angle and the number of standard deviations it differs from the standard
values is given. Please note that disulphide bridges are neglected. Atoms
starting with "-" belong to the previous residue in the sequence.
 
   68 PHE  (  67-) A  -    CA   CB   CG  118.26    4.5
  104 ASP  ( 101-) A  -    CA   CB   CG  116.74    4.1
  532 ASN  ( 487-) R  -    CA   CB   CG  117.06    4.5
  584 ASP  ( 539-) R  -    CA   CB   CG  117.36    4.8
  701 PHE  (  67-) H  -    CA   CB   CG  118.13    4.3
  737 ASP  ( 101-) H  -    CA   CB   CG  116.88    4.3
  890 PHE  ( 423-) S  -    CA   CB   CG  118.07    4.3
  940 PHE  ( 473-) S  -    CA   CB   CG  118.65    4.8
 1006 ASP  ( 539-) S  -    CA   CB   CG  118.27    5.7
 
# 64 # Note: Normal bond angle variability
Bond angles were found to deviate normally from the mean standard bond angles
(normal values for protein residues were taken from Engh and Huber [REF], for
DNA/RNA from Parkinson et al [REF]). The RMS Z-score given below is expected
to be near 1.0 for a normally restrained data set, and this is indeed
observed for very high resolution X-ray structures.
 
 RMS Z-score for bond angles: 0.623
 RMS-deviation in bond angles: 1.186
 
# 65 # Note: Residue hand check OK
No atoms are observed that have the wrong handedness. Be aware, though, that
WHAT CHECK might have corrected the handedness of some atoms already. The
handedness has not been corrected for any case where the problem is worse
than just an administrative discomfort.
 
# 66 # Note: Chirality OK
All protein atoms have proper chirality, or there is no intact protein
present in the PDB file.
The average deviation= 0.610
 
# 67 # Note: Improper dihedral angle distribution OK
The RMS Z-score for all improper dihedrals in the structure is within normal
ranges.
 
 Improper dihedral RMS Z-score : 0.492
 
# 68 # Note: Tau angles OK
All of the tau angles (N-C-alpha-C) of amino acids fall within expected
RMS deviations.
 
# 69 # Note: Normal tau angle deviations
The RMS Z-score for the tau angles (N-C-alpha-C) in the structure falls
within the normal range that we guess to be 0.5 - 1.5. Be aware, we
determined the tau normal distributions from 500 high-resolution X-ray
structures, rather than from CSD data, so we cannot be 100 percent certain
about these numbers.
 
 Tau angle RMS Z-score : 0.767
 
# 70 # Error: Side chain planarity problems
The side chains of the residues listed in the table below contain a planar
group that was found to deviate from planarity by more than 4.0 times the
expected value. For an amino acid residue that has a side chain with a
planar group, the RMS deviation of the atoms to a least squares plane was
determined. The number in the table is the number of standard deviations
this RMS value deviates from the expected value. Not knowing better yet, we
assume that planarity of the groups analyzed should be perfect.
 
 1009 ARG  ( 542-) S  -   4.75
 
# 71 # Note: Atoms connected to aromatic rings OK
All of the atoms that are connected to planar aromatic rings in side chains
of amino-acid residues are in the plane within expected RMS deviations.
Since there is no DNA and no protein with hydrogens, no uncalibrated
planarity check was performed.
 
# 72 # Note: Ramachandran Z-score OK
The score expressing how well the backbone conformations of all residues
correspond to the known allowed areas in the Ramachandran plot is within
expected ranges for well-refined structures.
 
 Ramachandran Z-score : -2.706
 
# 73 # Note: Ramachandran check
The list contains per-residue Z-scores describing how well each residue
fits into the allowed areas of the Ramachandran plot will not be printed
because WHAT CHECK found no reason to cry.
 
# 74 # Warning: Torsion angle evaluation shows unusual residues
The residues listed in the table below contain bad or abnormal
torsion angles.
 
These scores give an impression of how `normal' the torsion angles in
protein residues are. All torsion angles except omega are used for
calculating a `normality' score. Average values and standard deviations were
obtained from the residues in the WHAT CHECK database. These are used to
calculate Z-scores. A residue with a Z-score of below -2.0 is poor, and a
score of less than -3.0 is worrying. For such residues more than one torsion
angle is in a highly unlikely position.
 
  783 PRO  ( 149-) H  -   -2.9
  149 PRO  ( 149-) A  -   -2.9
  890 PHE  ( 423-) S  -   -2.8
  468 PHE  ( 423-) R  -   -2.6
  189 PRO  ( 189-) A  -   -2.6
  823 PRO  ( 189-) H  -   -2.6
  147 PRO  ( 147-) A  -   -2.4
  781 PRO  ( 147-) H  -   -2.4
  946 LEU  ( 479-) S  -   -2.2
  100 GLY  (  96-) A  -   -2.2
  263 TYR  (  50-) B  -   -2.2
 1105 TYR  (  50-) L  -   -2.1
  261 ILE  (  48-) B  -   -2.1
  974 LEU  ( 507-) S  -   -2.1
 1103 ILE  (  48-) L  -   -2.1
  837 SER  ( 203-) H  -   -2.1
  203 SER  ( 203-) A  -   -2.1
   12 VAL  (  12-) A  -   -2.1
 1108 ARG  (  53-) L  -   -2.1
  645 VAL  (  12-) H  -   -2.1
  709 GLU  (  75-) H  -   -2.1
  733 GLY  (  96-) H  -   -2.0
 
# 75 # Warning: Backbone evaluation reveals unusual conformations
The residues listed in the table below have abnormal backbone torsion
angles.
 
Residues with `forbidden' phi-psi combinations are listed, as well as
residues with unusual omega angles (deviating by more than 3 sigma from the
normal value). Please note that it is normal if about 5 percent of the
residues is listed here as having unusual phi-psi combinations.
 
    8 GLY  (   8-) A  - Poor phi/psi
   10 GLY  (  10-) A  - Poor phi/psi
   13 LYS  (  13-) A  - Omega to (next) Pro poor
   15 GLY  (  15-) A  - Poor phi/psi
   26 GLY  (  26-) A  - Poor phi/psi
   32 TYR  (  32-) A  - omega poor
   40 THR  (  40-) A  - Omega to (next) Pro poor
   43 LYS  (  43-) A  - Poor phi/psi
   55 GLY  (  54-) A  - Poor phi/psi
   60 TYR  (  59-) A  - Omega to (next) Pro poor
   66 GLY  (  65-) A  - Poor phi/psi
   99 ASP  (  95-) A  - omega poor
  100 GLY  (  96-) A  - Poor phi/psi
  104 ASP  ( 101-) A  - omega poor
  109 GLY  ( 106-) A  - Poor phi/psi
And so on for a total of   169 lines.
 
# 76 # Error: Chi-1/chi-2 rotamer problems
List of residues with a poor chi-1/chi-2 combination. Be aware that for this
validation option the individual scores are far less important than the
overall score that is given below the table.
 
  177 LEU  ( 177-) A  -    -1.32
  224 LEU  (  11-) B  -    -1.30
  246 LEU  (  33-) B  -    -1.32
  319 LEU  ( 106-) B  -    -1.31
  349 LEU  ( 136-) B  -    -1.31
  433 LEU  ( 388-) R  -    -1.31
  486 LEU  ( 441-) R  -    -1.30
  540 LEU  ( 495-) R  -    -1.31
  811 LEU  ( 177-) H  -    -1.32
  855 LEU  ( 388-) S  -    -1.31
  908 LEU  ( 441-) S  -    -1.30
  946 LEU  ( 479-) S  -    -1.32
  962 LEU  ( 495-) S  -    -1.31
  974 LEU  ( 507-) S  -    -1.32
  984 LEU  ( 517-) S  -    -1.31
And so on for a total of   513 lines.
 
# 77 # Note: chi-1/chi-2 angle correlation Z-score OK
The score expressing how well the chi-1/chi-2 angles of all residues
correspond to the populated areas in the database is
within expected ranges for well-refined structures.
 
 chi-1/chi-2 correlation Z-score : -2.581
 
# 78 # Warning: Unusual rotamers
The residues listed in the table below have a rotamer that is not seen very
often in the database of solved protein structures. This option determines
for every residue the position specific chi-1 rotamer distribution.
Thereafter it verified whether the actual residue in the molecule has the
most preferred rotamer or not. If the actual rotamer is the preferred one,
the score is 1.0. If the actual rotamer is unique, the score is 0.0. If
there are two preferred rotamers, with a population distribution of 3:2 and
your rotamer sits in the lesser populated rotamer, the score will be 0.667.
No value will be given if insufficient hits are found in the database.
 
It is not necessarily an error if a few residues have rotamer values below
0.3, but careful inspection of all residues with these low values could be
worth it.
 
  995 SER  ( 528-) S  -   0.35
 1067 SER  (  12-) L  -   0.35
  787 THR  ( 153-) H  -   0.36
  627 ASN  ( 582-) R  -   0.36
  573 SER  ( 528-) R  -   0.38
 1230 MET  ( 175-) L  -   0.38
  548 CYS  ( 503-) R  -   0.39
  970 CYS  ( 503-) S  -   0.39
  153 THR  ( 153-) A  -   0.39
  225 SER  (  12-) B  -   0.39
  344 SER  ( 131-) B  -   0.39
  814 SER  ( 180-) H  -   0.39
  945 CYS  ( 478-) S  -   0.39
 1010 LYS  ( 543-) S  -   0.39
 1186 SER  ( 131-) L  -   0.39
  416 SER  ( 203-) B  -   0.39
 
# 79 # Warning: Unusual backbone conformations
For the residues listed in the table below, the backbone formed by itself and
two neighbouring residues on either side is in a conformation that is not
seen very often in the database of solved protein structures. The number
given in the table is the number of similar backbone conformations in the
database with the same amino acid in the centre.
 
For this check, backbone conformations are compared with database structures
using C-alpha superpositions with some restraints on the backbone oxygen
positions.
 
A residue mentioned in the table can be part of a strange loop, or there
might be something wrong with it or its directly surrounding residues. There
are a few of these in every protein, but in any case it is worth looking at,
especially if a regular DSSP secondary structure (H or S for helix or strand,
respectively) is indicated!
 
   99 ASP  (  95-) A  -       0
  264 THR  (  51-) B  -       0
  732 ASP  (  95-) H  -       0
  733 GLY  (  96-) H  -       0
  734 ASN  (  97-) H  -       0
  935 ASN  ( 468-) S  -       0
 1046 THR  ( 579-) S  -       0
 1106 THR  (  51-) L  -       0
  101 ASN  (  97-) A  -       1
  188 TRP  ( 188-) A  -       1
  263 TYR  (  50-) B  -       1
  307 LEU  (  94-) B  -       1
  472 GLN  ( 427-) R  -       1
  513 ASN  ( 468-) R  -       1
  555 ASP  ( 510-) R  -       1
  822 TRP  ( 188-) H  -       1
  894 GLN  ( 427-) S  -       1
  977 ASP  ( 510-) S  -       1
 1105 TYR  (  50-) L  -       1
 1149 LEU  (  94-) L  -       1
  146 PHE  ( 146-) A  -       2
  148 GLU  ( 148-) A  -       2
  355 LYS  ( 142-) B  -       2
  580 TRP  ( 535-) R  -       2
  780 PHE  ( 146-) H  -       2
  782 GLU  ( 148-) H  -       2
 1002 TRP  ( 535-) S  -       2
 1197 LYS  ( 142-) L  -       2
 
# 80 # Note: Backbone conformation Z-score OK
The backbone conformation analysis gives a score that is normal for well
refined protein structures.
 
 Backbone conformation Z-score : -0.151
 
# 81 # Note: Omega angle restraint OK
The omega angles for trans-peptide bonds in a structure is expected to give a
gaussian distribution with the average around +178 degrees, and a standard
deviation around 5.5. In the current structure the standard deviation agrees
with this expectation.
 
Omega average and std. deviation= 178.310 6.148
 
# 82 # Warning: Unusual PRO puckering amplitudes
The proline residues listed in the table below have a puckering amplitude
that is outside of normal ranges. Puckering parameters were calculated by
the method of Cremer and Pople [REF]. Normal PRO rings have a puckering
amplitude Q between 0.20 and 0.45 Angstrom. If Q is lower than 0.20 Angstrom
for a PRO residue, this could indicate disorder between the two different
normal ring forms (with C-gamma below and above the ring, respectively). If
Q is higher than 0.45 Angstrom something could have gone wrong during the
refinement. Be aware that this is a warning with a low confidence level. See:
Who checks the checkers? Four validation tools applied to eight atomic
resolution structures [REF]
 
  521 PRO  ( 476-) R  -   0.19 LOW
  576 PRO  ( 531-) R  -   0.12 LOW
  998 PRO  ( 531-) S  -   0.11 LOW
 
# 83 # Warning: Unusual PRO puckering phases
The proline residues listed in the table below have a puckering phase that is
not expected to occur in protein structures. Puckering parameters were
calculated by the method of Cremer and Pople [REF]. Normal PRO rings
approximately show a so-called envelope conformation with the C-gamma atom
above the plane of the ring (phi=+72 degrees), or a half-chair conformation
with C-gamma below and C-beta above the plane of the ring (phi=-90 degrees).
If phi deviates strongly from these values, this is indicative of a very
strange conformation for a PRO residue, and definitely requires a manual
check of the data. Be aware that this is a warning with a low confidence
level. See: Who checks the checkers? Four validation tools applied to eight
atomic resolution structures [REF].
 
  149 PRO  ( 149-) A  -  -44.3 envelop C-alpha (-36 degrees)
  189 PRO  ( 189-) A  -  -61.0 half-chair C-beta/C-alpha (-54 degrees)
  417 PRO  ( 204-) B  -   49.9 half-chair C-delta/C-gamma (54 degrees)
  783 PRO  ( 149-) H  -  -44.2 envelop C-alpha (-36 degrees)
  823 PRO  ( 189-) H  -  -61.2 half-chair C-beta/C-alpha (-54 degrees)
 
# 84 # Warning: Backbone oxygen evaluation
The residues listed in the table below have an unusual backbone oxygen
position.
 
For each of the residues in the structure, a search was performed to find
5-residue stretches in the WHAT CHECK database with superposable C-alpha
coordinates, and some restraints on the neighbouring backbone oxygens.
 
In the following table the RMS distance between the backbone oxygen positions
of these matching structures in the database and the position of the backbone
oxygen atom in the current residue is given. If this number is larger than
1.5 a significant number of structures in the database show an alternative
position for the backbone oxygen. If the number is larger than 2.0 most
matching backbone fragments in the database have the peptide plane flipped.
A manual check needs to be performed to assess whether the experimental data
can support that alternative as well. The number in the last column is the
number of database hits (maximum 80) used in the calculation. It is "normal"
that some glycine residues show up in this list, but they are still worth
checking!
 
 1123 GLY  (  68-) L  -  1.75   37
  281 GLY  (  68-) B  -  1.74   38
 
# 85 # Warning: Possible peptide flips
For the residues listed in the table below, the backbone formed by the
residue mentioned and the one N-terminal of it show systematic deviations
from normality that are consistent with a peptide flip. This can either
be a 180 degree flip of the entire peptide plane or a trans to cis flip.
(Cis to trans flips cannot be detected yet). The type can be TT+, TC-,
or TC+:
TT+ indicates a 180 degree flip of the entire peptide plane.
TC- indicates a trans to cis conversion that requires a flip of the N atom.
TC+ indicates a trans to cis conversion that requires a flip of the O atom.
Note that the method will only work correctly for PDB files with full
isotropic B-factors.
 
  383 ASP  ( 170-) B  - TT+   Likely
  480 SER  ( 435-) R  - TT+   Likely
 
# 86 # Error: Abnormally short interatomic distances
The pairs of atoms listed in the table below have an unusually short
interactomic distance; each bump is listed in only one direction.
 
The contact distances of all atom pairs have been checked. Two atoms are
said to `bump' if they are closer than the sum of their Van der Waals radii
minus 0.40 Angstrom. For hydrogen bonded pairs a tolerance of 0.55 Angstrom
is used. The first number in the table tells you how much shorter that
specific contact is than the acceptable limit. The second distance is the
distance between the centres of the two atoms. Although we believe that two
water atoms at 2.4 A distance are too close, we only report water pairs that
are closer than this rather short distance.
 
INTRA and INTER indicate whether the clashes are between atoms in the same
asymmetric unit, or atoms in symmetry related asymmetric units, respectively.
The last text-item on each line represents the status of the atom pair. If
the final column contains the text 'HB', the bump criterion was relaxed
because there could be a hydrogen bond. Similarly relaxed criteria are used
for 1--3 and 1--4 interactions (listed as 'B2' and 'B3', respectively).
If the last column is 'BF', the sum of the B-factors of the atoms is higher
than 80, which makes the appearance of the bump somewhat less severe because
the atoms probably are not there anyway. BL, on the other hand, indicates
that the bumping atoms both have a low B-factor, and that makes the bumps
more worrisome.
 
Bumps between atoms for which the sum of their occupancies is lower than one
are not reported. If the MODEL number does not exist (as is the case in most
X-ray files), a minus sign is printed instead.
 
  455 ASN  ( 410-) R  -    ND2 <-->  1268 NAG  ( 601-) R  -    C1     1.67    1.43  INTRA BF
  877 ASN  ( 410-) S  -    ND2 <-->  1269 NAG  ( 601-) S  -    C1     1.66    1.44  INTRA BF
  455 ASN  ( 410-) R  -    CG  <-->  1268 NAG  ( 601-) R  -    C1     0.75    2.45  INTRA BF
  877 ASN  ( 410-) S  -    CG  <-->  1269 NAG  ( 601-) S  -    C1     0.73    2.47  INTRA BF
  877 ASN  ( 410-) S  -    ND2 <-->  1269 NAG  ( 601-) S  -    C2     0.70    2.40  INTRA BF
  455 ASN  ( 410-) R  -    ND2 <-->  1268 NAG  ( 601-) R  -    C2     0.65    2.45  INTRA BF
  455 ASN  ( 410-) R  -    ND2 <-->  1268 NAG  ( 601-) R  -    O5     0.35    2.35  INTRA BF
  877 ASN  ( 410-) S  -    ND2 <-->  1269 NAG  ( 601-) S  -    O5     0.33    2.37  INTRA BF
  266 ARG  (  53-) B  -    NH2 <-->   594 GLU  ( 549-) R  -    OE2    0.27    2.43  INTRA BF
 1163 ARG  ( 108-) L  -    NH1 <-->  1164 ALA  ( 109-) L  -    O      0.23    2.37  INTRA
  431 SER  ( 386-) R  -    N   <-->   432 PRO  ( 387-) R  -    CD     0.22    2.78  INTRA BL
  853 SER  ( 386-) S  -    N   <-->   854 PRO  ( 387-) S  -    CD     0.21    2.79  INTRA
  321 ARG  ( 108-) B  -    NH1 <-->   322 ALA  ( 109-) B  -    O      0.21    2.39  INTRA
  732 ASP  (  95-) H  -    OD1 <-->   733 GLY  (  96-) H  -    CA     0.17    2.53  INTRA
   42 GLU  (  42-) A  -    OE1 <-->  1243 ARG  ( 188-) L  -    NH2    0.17    2.53  INTRA
And so on for a total of    57 lines.
 
# 87 # Note: Some notes regarding these bumps
The bumps have been binned in 5 categories ranging from 'please look at'
till 'must fix'. Additionally, the integrated sum of all bumps, the squared
sum of all bumps, and these latter two values normalized by the number of
contacts are listed too for comparison purposes between, for example, small
and large proteins.
 
Total bump value: 10.546
Total bump value per residue: 0.045
Total number of bumps: 57
Total squared bump value: 8.278
Total number of bumps in the mildest bin: 48
Total number of bumps in the second bin: 3
Total number of bumps in the middle bin: 4
Total number of bumps in the fourth bin: 0
Total number of bumps in the worst bin: 2
 
# 88 # Note: Inside/outside distribution check
The following list contains per-residue Z-scores describing how well the
residue's observed accessibility fits the expected one. A positive Z-score
indicates "more exposure than usual", whereas a negative Z-score means
"more buried than usual". The absolute value of the Z-score must be used to
judge the quality. Today WHAT CHECK saw no reason to complain.
 
# 89 # Note: Inside/Outside residue distribution normal
The distribution of residue types over the inside and the outside of the
protein is normal.
 
inside/outside RMS Z-score : 0.979
 
# 90 # Note: Inside/Outside RMS Z-score plot
The Inside/Outside distribution normality RMS Z-score over a 15 residue
window is plotted as function of the residue number. High areas in the plot
(above 1.5) indicate unusual inside/outside patterns.
 
In the TeX file, a plot has been inserted here
 
Chain identifier: A
 
# 91 # Note: Inside/Outside RMS Z-score plot
 
 
In the TeX file, a plot has been inserted here
 
Chain identifier: B
 
# 92 # Note: Inside/Outside RMS Z-score plot
 
 
In the TeX file, a plot has been inserted here
 
Chain identifier: R
 
# 93 # Note: Inside/Outside RMS Z-score plot
 
 
In the TeX file, a plot has been inserted here
 
Chain identifier: H
 
# 94 # Note: Inside/Outside RMS Z-score plot
 
 
In the TeX file, a plot has been inserted here
 
Chain identifier: S
 
# 95 # Note: Inside/Outside RMS Z-score plot
 
 
In the TeX file, a plot has been inserted here
 
Chain identifier: L
 
# 96 # Warning: Abnormal packing environment for some residues
The residues listed in the table below have an unusual packing environment.
 
The packing environment of the residues is compared with the average packing
environment for all residues of the same type in good PDB files. A low
packing score can indicate one of several things: Poor packing, misthreading
of the sequence through the density, crystal contacts, contacts with a
co-factor, or the residue is part of the active site. It is not uncommon to
see a few of these, but in any case this requires further inspection of the
residue.
 
  622 TYR  ( 577-) R  -  -7.92
  320 ARG  ( 107-) B  -  -7.01
 1162 ARG  ( 107-) L  -  -6.96
 1044 TYR  ( 577-) S  -  -6.58
  424 ARG  ( 211-) B  -  -6.41
  540 LEU  ( 495-) R  -  -6.41
 1266 ARG  ( 211-) L  -  -6.37
  741 GLN  ( 105-) H  -  -6.27
  108 GLN  ( 105-) A  -  -6.19
  593 LEU  ( 548-) R  -  -6.14
  894 GLN  ( 427-) S  -  -6.07
 1015 LEU  ( 548-) S  -  -6.03
  472 GLN  ( 427-) R  -  -5.99
  764 CYS  ( 128-) H  -  -5.91
  307 LEU  (  94-) B  -  -5.85
  962 LEU  ( 495-) S  -  -5.50
  632 LYS  ( 587-) R  -  -5.46
 1054 LYS  ( 587-) S  -  -5.42
 1149 LEU  (  94-) L  -  -5.34
  401 ARG  ( 188-) B  -  -5.28
  940 PHE  ( 473-) S  -  -5.16
  148 GLU  ( 148-) A  -  -5.14
 1211 GLN  ( 156-) L  -  -5.11
 
# 97 # Note: No series of residues with bad packing environment
There are no stretches of three or more residues each having a packing score
worse than -4.0.
 
# 98 # Note: Structural average packing environment OK
The structural average packing score is within normal ranges.
 
 
Average for range     1 - 1269 :  -0.296
 
# 99 # Note: Quality value plot
The quality value smoothed over a 10 residue window is plotted as function
of the residue number. Low areas in the plot (below -2.0) indicate unusual
packing.
 
In the TeX file, a plot has been inserted here
 
Chain identifier: A
 
# 100 # Note: Quality value plot
The quality value smoothed over a 10 residue window is plotted as function
of the residue number. Low areas in the plot (below -2.0) indicate unusual
packing.
 
In the TeX file, a plot has been inserted here
 
Chain identifier: B
 
# 101 # Note: Quality value plot
The quality value smoothed over a 10 residue window is plotted as function
of the residue number. Low areas in the plot (below -2.0) indicate unusual
packing.
 
In the TeX file, a plot has been inserted here
 
Chain identifier: R
 
# 102 # Note: Quality value plot
The quality value smoothed over a 10 residue window is plotted as function
of the residue number. Low areas in the plot (below -2.0) indicate unusual
packing.
 
In the TeX file, a plot has been inserted here
 
Chain identifier: H
 
# 103 # Note: Quality value plot
The quality value smoothed over a 10 residue window is plotted as function
of the residue number. Low areas in the plot (below -2.0) indicate unusual
packing.
 
In the TeX file, a plot has been inserted here
 
Chain identifier: S
 
# 104 # Note: Quality value plot
The quality value smoothed over a 10 residue window is plotted as function
of the residue number. Low areas in the plot (below -2.0) indicate unusual
packing.
 
In the TeX file, a plot has been inserted here
 
Chain identifier: L
 
# 105 # Warning: Low packing Z-score for some residues
The residues listed in the table below have an unusual packing
environment according to the 2nd generation packing check. The score
listed in the table is a packing normality Z-score: positive means
better than average, negative means worse than average. Only residues
scoring less than -2.50 are listed here. These are the unusual
residues in the structure, so it will be interesting to take a
special look at them.
 
  917 LEU  ( 450-) S  -  -2.73
  996 ILE  ( 529-) S  -  -2.51
 
# 106 # Warning: Abnormal packing Z-score for sequential residues
A stretch of at least four sequential residues with a 2nd generation packing
Z-score below -1.75 was found. This could indicate that these residues are
part of a strange loop or that the residues in this range are incomplete,
but it might also be an indication of misthreading.
 
The table below lists the first and last residue in each stretch found,
as well as the average residue Z-score of the series.
 
  993 CYS  ( 526-) S  -   ---   996 ILE  ( 529-) S  -      -1.65
ERROR. File not found:
TAPEOUT.DAT
ERROR. File not found:
TAPEOUT.DAT
ERROR. File not found:
TAPEOUT.DAT
ERROR. File not found:
TAPEOUT.DAT
ERROR. File not found:
TAPEOUT.DAT
ERROR. File not found:
TAPEOUT.DAT
ERROR. File not found:
TAPEOUT.DAT
ERROR. File not found:
TAPEOUT.DAT
 
# 107 # Note: Second generation quality Z-score plot
The second generation quality Z-score smoothed over a 10 residue window
is plotted as function of the residue number. Low areas in the plot (below
-1.3) indicate unusual packing.
 
In the TeX file, a plot has been inserted here
 
Chain identifier: A
 
# 108 # Note: Second generation quality Z-score plot
 
 
In the TeX file, a plot has been inserted here
 
Chain identifier: B
 
# 109 # Note: Second generation quality Z-score plot
 
 
In the TeX file, a plot has been inserted here
 
Chain identifier: R
 
# 110 # Note: Second generation quality Z-score plot
 
 
In the TeX file, a plot has been inserted here
 
Chain identifier: H
 
# 111 # Note: Second generation quality Z-score plot
 
 
In the TeX file, a plot has been inserted here
 
Chain identifier: S
 
# 112 # Note: Second generation quality Z-score plot
 
 
In the TeX file, a plot has been inserted here
 
Chain identifier: L
 
# 113 # Warning: No crystallisation information
No, or very inadequate, crystallisation information was observed upon
reading the PDB file header records. This information should be available
in the form of a series of REMARK 280 lines. Without this information a
few things, such as checking ions in the structure, cannot be performed
optimally.
 
# 114 # Note: Water contacts OK
All water clusters make at least one contact with a non-water atom.
 
# 115 # Note: No waters need moving
All water molecules are sufficiently close to the asymmetric unit given in
the input file.
 
# 116 # Note: Water hydrogen bonds OK
All water molecules can form hydrogen bonds.
 
# 117 # Error: His, Asn, Gln side chain flips
Listed here are Histidine, Asparagine or Glutamine residues for
which the orientation determined from hydrogen bonding analysis are
different from the assignment given in the input. Either they could
form energetically more favourable hydrogen bonds if the terminal
group was rotated by 180 degrees, or there is no assignment in the
input file (atom type 'A') but an assignment could be made. Be aware,
though, that if the topology could not be determined for one or more
ligands, then this option will make errors.
 
  268 HIS  (  55-) B  -
  403 ASN  ( 190-) B  -
  481 ASN  ( 436-) R  -
  710 ASN  (  76-) H  -
  862 GLN  ( 395-) S  -
  968 ASN  ( 501-) S  -
 1110 HIS  (  55-) L  -
 1267 ASN  ( 212-) L  -
 
# 118 # Note: Histidine type assignments
For all complete HIS residues in the structure a tentative assignment to
HIS-D (protonated on ND1), HIS-E (protonated on NE2), or HIS-H (protonated
on both ND1 and NE2, positively charged) is made based on the hydrogen bond
network. A second assignment is made based on which of the Engh and Huber
[REF] histidine geometries fits best to the structure.
 
In the table below all normal histidine residues are listed. The assignment
based on the geometry of the residue is listed first, together with the RMS
Z-score for the fit to the Engh and Huber parameters. For all residues where
the H-bond assignment is different, the assignment is listed in the last
columns, together with its RMS Z-score to the Engh and Huber parameters.
 
As always, the RMS Z-scores should be close to 1.0 if the residues were
restrained to the Engh and Huber parameters during refinement, and if
enough (high resolution) data is available.
 
Please note that because the differences between the geometries of the
different types are small it is possible that the geometric assignment given
here does not correspond to the type used in refinement. This is especially
true if the RMS Z-scores are much higher than 1.0.
 
If the two assignments differ, or the `geometry' RMS Z-score is high, it is
advisable to verify the hydrogen bond assignment, check the HIS type used
during the refinement and possibly adjust it.
 
  164 HIS  ( 164-) A  -   HIS-E   0.44
  199 HIS  ( 199-) A  -   HIS-E   0.60 HIS-D   0.87
  268 HIS  (  55-) B  -   HIS-E   0.56 HIS-D   1.04
  402 HIS  ( 189-) B  -   HIS-E   0.47
  411 HIS  ( 198-) B  -   HIS-E   0.47
  531 HIS  ( 486-) R  -   HIS-E   0.48
  798 HIS  ( 164-) H  -   HIS-E   0.49
  833 HIS  ( 199-) H  -   HIS-E   0.35 HIS-H   0.89
  953 HIS  ( 486-) S  -   HIS-E   0.50
 1110 HIS  (  55-) L  -   HIS-E   0.53 HIS-D   0.90
 1244 HIS  ( 189-) L  -   HIS-E   0.65 HIS-D   1.11
 1253 HIS  ( 198-) L  -   HIS-E   0.44
 
# 119 # Warning: Buried unsatisfied hydrogen bond donors
The buried hydrogen bond donors listed in the table below have a hydrogen
atom that is not involved in a hydrogen bond in the optimized hydrogen bond
network.
 
Hydrogen bond donors that are buried inside the protein normally use all of
their hydrogens to form hydrogen bonds within the protein. If there are any
non hydrogen bonded buried hydrogen bond donors in the structure they will
be listed here. In very good structures the number of listed atoms will tend
to zero.
 
Waters are not listed by this option.
 
   53 SER  (  52A) A  -    N
   56 THR  (  55-) A  -    N
   89 GLU  (  85-) A  -    N
   98 ARG  (  94-) A  -    NE
  102 SER  (  98-) A  -    N
  102 SER  (  98-) A  -    OG
  105 TYR  ( 102-) A  -    N
  130 VAL  ( 127-) A  -    N
  148 GLU  ( 148-) A  -    N
  150 VAL  ( 150-) A  -    N
  240 GLN  (  27-) B  -    N
  245 TYR  (  32-) B  -    OH
  293 GLN  (  80-) B  -    NE2
  321 ARG  ( 108-) B  -    N
  334 SER  ( 121-) B  -    OG
And so on for a total of    68 lines.
 
# 120 # Warning: Buried unsatisfied hydrogen bond acceptors
The buried side-chain hydrogen bond acceptors listed in the table below are
not involved in a hydrogen bond in the optimized hydrogen bond network.
 
Side-chain hydrogen bond acceptors buried inside the protein normally form
hydrogen bonds within the protein. If there are any not hydrogen bonded in
the optimized hydrogen bond network they will be listed here.
 
Waters are not listed by this option.
 
  199 HIS  ( 199-) A  -    NE2
  337 GLN  ( 124-) B  -    OE1
  722 GLU  (  85-) H  -    OE2
 1192 ASN  ( 137-) L  -    OD1
 
# 121 # Note: Some notes regarding these donors and acceptors
The donors and acceptors have been counted, also as function of their
accessibility. The buried donors and acceptors have been binned in five
categories ranging from not forming any hydrogen bond till forming a poor
till perfect hydrogen bond. Obviously, the buried donors and acceptors
with no or just a poor hydrogen bond should be a topic of concern. As every
protein contains more acceptors than donors, unsatisfied donors are more in
need of attention than unsatisfied acceptors.
 
Total number of donors: 1895
- of which buried: 855
Total number of acceptors: 2030
- of which buried: 709
Total number of donor+acceptors: 382
  (e.g. the Ser Ogamma that can donate and accept)
- of which buried: 67
Buried donors: 855
- without H-bond: 64
- essentially without H-bond: 0
- with only a very poor H-bond: 8
- with a poor H-bond: 7
- with a H-bond: 776
Buried acceptors: 709
- without H-bond: 100
- essentially without H-bond: 0
- with only a very poor H-bond: 21
- with a poor H-bond: 462
- with a H-bond: 126
 
# 122 # Note: Content of the PDB file as interpreted by WHAT CHECK
Content of the PDB file as interpreted by WHAT CHECK.
WHAT CHECK has read your PDB file, and stored it internally in what is called
'the soup'. The content of this soup is listed here. An extensive explanation
of all frequently used WHAT CHECK output formats can be found at
swift.cmbi.ru.nl. Look under output formats. A course on reading this
'Molecules' table is part of the WHAT CHECK website.
 
     1     1 (    1)   131 (  128) A Protein             /zata/tempdir/4zp...
     2   132 (  132)   213 (  213) A Protein             /zata/tempdir/4zp...
     3   214 (    1)   425 (  212) B Protein             /zata/tempdir/4zp...
     4   426 (  381)   633 (  588) R Protein             /zata/tempdir/4zp...
     5   634 (    1)   765 (  129) H Protein             /zata/tempdir/4zp...
     6   766 (  132)   847 (  213) H Protein             /zata/tempdir/4zp...
     7   848 (  381)  1055 (  588) S Protein             /zata/tempdir/4zp...
     8  1056 (    1)  1267 (  212) L Protein             /zata/tempdir/4zp...
     9  1268 (  601)  1268 (  601) R Sugar               /zata/tempdir/4zp...
    10  1269 (  601)  1269 (  601) S Sugar               /zata/tempdir/4zp...
    11  1270 (  213)  1270 (  213) A R O2 <-   213       /zata/tempdir/4zp...
    12  1271 (  588)  1271 (  588) R L O2 <-   633       /zata/tempdir/4zp...
    13  1272 (  213)  1272 (  213) H R O2 <-   847       /zata/tempdir/4zp...
    14  1273 (  588)  1273 (  588) S L O2 <-  1055       /zata/tempdir/4zp...
    15  1274 ( HOH )  1274 ( HOH ) A water   (    1)     /zata/tempdir/4zp...
    16  1275 ( HOH )  1275 ( HOH ) B water   (    1)     /zata/tempdir/4zp...
    17  1276 ( HOH )  1276 ( HOH ) R water   (    1)     /zata/tempdir/4zp...
    18  1277 ( HOH )  1277 ( HOH ) H water   (    1)     /zata/tempdir/4zp...
    19  1278 ( HOH )  1278 ( HOH ) S water   (    1)     /zata/tempdir/4zp...
    20  1279 ( HOH )  1279 ( HOH ) L water   (    1)     /zata/tempdir/4zp...
 
# 123 # Note: Summary report
This is an overall summary of the quality of the structure as compared with
current reliable structures. Numbers in brackets are the average and standard
deviation observed for a large number of files determined with a similar
resolution.
 
The second table mostly gives an impression of how well the model conforms
to common refinement restraint values. These numbers are less than 1.0 if the
spread in data is too little, and larger than 1.0 when the spread is too
large. The former does not need to be a problem, the latter always is bad.
 
 Structure Z-scores, positive is better than average:
  Resolution read from PDB file  :   2.590
  1st generation packing quality :   0.511 (          (  -0.5,  2.5))
  2nd generation packing quality :   0.768 (          (  -1.5,  1.2))
  Ramachandran plot appearance   :  -2.706 (          (  -2.7,  1.6))
  chi-1/chi-2 rotamer normality  :  -2.581 (          (  -4.5,  1.7))
  Backbone conformation          :  -0.151 (          (  -0.8,  3.7))
  Inside/Outside distribution    :   0.979
 
 RMS Z-scores, should be close to 1.0:
  Bond lengths                   :   0.360 (tight)
  Bond angles                    :   0.623 (tight)
  Omega angle restraints         :   1.118
  Side chain planarity           :   0.678
  Improper dihedral distribution :   0.492
  B-factor distribution          :   1.145
 
# 124 # Note: Introduction to refinement recommendations
First, be aware that the recommendations for crystallographers listed below
are produced by a computer program that was written by a guy who got his
PhD in NMR...
 
We have tried to convert the messages written in this report into a small
set of things you can do with your refinement software to get a better
structure. The things you should do first are listed first. And in some
cases you should first fix that problem, then refine a bit further, and
then run WHAT CHECK again before looking at other problems. If, for example,
WHAT CHECK has found a problem with the SCALE and CRYST cards, then you must
first fix that problem, refine the structure a bit further, and run WHAT
CHECK again because errors in the SCALE and or CRYST card can lead to many
problems elsewhere in the validation process.
 
It is also important to keep in mind that WHAT CHECK is software and that it
occasionally totally misunderstands what is the cause of a problem. But, if
WHAT CHECK lists a problem there normally is a problem albeit that it not
always is the actual problem that gets listed.
 
# 125 # Note: Matthews coefficient problem
WHAT CHECK detected a Matthews coefficient problem. Most times this is an
administrative problem caused by typing the wrong cell multiplicity number
on the CRYST card (or not typing it at all). Occasionally it is caused by
typing the wrong space group on the CRYST card. You better fix this problem,
but normally this problem does not cause WHAT CHECK to give any erroneous
error messages further down in the report.
 
# 126 # Error: Bumps in your structure
Upon analysing the bumps in your structure, WHAT CHECK got very, very
worried. Sometimes this means that you have forgotten to lower the
occupancy of overlapping ligands, residues, or water molecules. But,
whatever is the origin of this problem, you have to analyse it and
fix it.
 
# 127 # Note: His, Asn, Gln side chain flips.
His, Asn, and Gln have an asymmetry in their side chain that is hard to
detect unless you have data at much better than 1.0 Angstrom resolution.
WHAT CHECK thinks that your structure contains His, Asn, or Gln residues that
will make better hydrogen bonds when flipped around their chi-2, chi-2, or
chi-3 side chain torsion angle, respectively. You better
check these Asn, His, and Gln residues, and if you use a refinement program
that includes molecular dynamics, then you must (after the
flips were made) refine a bit further before running WHAT CHECK again.
 
# 128 # Warning: Troublesome residues
The residues listed in the table below need to be inspected
 
This table is a very rough attempt to sort the residues according to how
badly they need your attention. The idea is that when you sit in  in front
of the graphics screen and study the residues with the electron density
present that you improve the structure most by dealing with the top residues
in this list first.
 
  847 ARG  ( 213-) H  -     16.41
  622 TYR  ( 577-) R  -     15.83
  213 ARG  ( 213-) A  -     15.42
  940 PHE  ( 473-) S  -     14.95
 1055 LEU  ( 588-) S  -     14.69
  633 LEU  ( 588-) R  -     14.68
 1267 ASN  ( 212-) L  -     14.10
  320 ARG  ( 107-) B  -     14.02
 1162 ARG  ( 107-) L  -     13.91
 1044 TYR  ( 577-) S  -     13.16
  424 ARG  ( 211-) B  -     12.92
  540 LEU  ( 495-) R  -     12.82
 1266 ARG  ( 211-) L  -     12.77
  741 GLN  ( 105-) H  -     12.54
  108 GLN  ( 105-) A  -     12.38
And so on for a total of    77 lines.
==============
 
 
WHAT IF
    G.Vriend,
      WHAT IF: a molecular modelling and drug design program,
    J. Mol. Graph. 8, 52--56 (1990).
 
WHAT_CHECK (verification routines from WHAT IF)
    R.W.W.Hooft, G.Vriend, C.Sander and E.E.Abola,
      Errors in protein structures
    Nature 381, 272 (1996).
    (see also http://swift.cmbi.ru.nl/gv/whatcheck for a course and extra
    information)
 
PDB facilities
    Touw WG, Baakman C, Black J, te Beek TA, Krieger E, Joosten RP, Vriend G.
      A series of PDB-related databanks for everyday needs.
    Nucleic Acids Research D364-368 Database issue (2015).
 
Bond lengths and angles, protein residues
    R.Engh and R.Huber,
      Accurate bond and angle parameters for X-ray protein structure
      refinement,
    Acta Crystallogr. A47, 392--400 (1991) and
    R.Engh and R.Huber,
    International Tables for Crystallography (2001)
 
 
Bond lengths and angles, DNA/RNA
    G.Parkinson, J.Voitechovsky, L.Clowney, A.T.Bruenger and H.Berman,
      New parameters for the refinement of nucleic acid-containing structures
    Acta Crystallogr. D52, 57--64 (1996).
 
DSSP
    W.Kabsch and C.Sander,
      Dictionary of protein secondary structure: pattern
      recognition of hydrogen bond and geometrical features
    Biopolymers 22, 2577--2637 (1983).
 
Hydrogen bond networks
    R.W.W.Hooft, C.Sander and G.Vriend,
      Positioning hydrogen atoms by optimizing hydrogen bond networks in
      protein structures
    PROTEINS, 26, 363--376 (1996).
 
Matthews' Coefficient
    B.W.Matthews
      Solvent content of Protein Crystals
    J. Mol. Biol. 33, 491--497 (1968).
 
Peptide flips
    Touw WG, Joosten RP, Vriend G.
      Detection of trans-cis flips and peptide-plane flips in protein
      structures.
    Acta Crystallogr D Biological Crystallograhy 71, 1604-1614 (2015).
 
Protein side chain planarity
    R.W.W. Hooft, C. Sander and G. Vriend,
      Verification of protein structures: side-chain planarity
    J. Appl. Cryst. 29, 714--716 (1996).
 
Puckering parameters
    D.Cremer and J.A.Pople,
      A general definition of ring puckering coordinates
    J. Am. Chem. Soc. 97, 1354--1358 (1975).
 
Quality Control
    G.Vriend and C.Sander,
      Quality control of protein models: directional atomic
      contact analysis,
    J. Appl. Cryst. 26, 47--60 (1993).
 
Ramachandran plot
    G.N.Ramachandran, C.Ramakrishnan and V.Sasisekharan,
      Stereochemistry of Polypeptide Chain Conformations
    J. Mol. Biol. 7, 95--99 (1963).
    R.W.W. Hooft, C.Sander and G.Vriend,
      Objectively judging the quality of a protein structure from a
      Ramachandran plot
    CABIOS (1997), 13, 425--430.
 
Symmetry Checks
    R.W.W.Hooft, C.Sander and G.Vriend,
      Reconstruction of symmetry related molecules from protein
      data bank (PDB) files
    J. Appl. Cryst. 27, 1006--1009 (1994).
 
Tau angle
    W.G.Touw and G.Vriend
      On the complexity of Engh and Huber refinement restraints: the angle
      tau as example.
    Acta Crystallogr D 66, 1341--1350 (2010).
 
Ion Checks
    I.D.Brown and K.K.Wu,
      Empirical Parameters for Calculating Cation-Oxygen Bond Valences
    Acta Cryst. B32, 1957--1959 (1975).
 
    M.Nayal and E.Di Cera,
      Valence Screening of Water in Protein Crystals Reveals Potential Na+
      Binding Sites
    J.Mol.Biol. 256 228--234 (1996).
 
    P.Mueller, S.Koepke and G.M.Sheldrick,
      Is the bond-valence method able to identify metal atoms in protein
      structures?
    Acta Cryst. D 59 32--37 (2003).
 
Checking checks
    K.Wilson, C.Sander, R.W.W.Hooft, G.Vriend, et al.
      Who checks the checkers
    J.Mol.Biol. (1998) 276,417-436.
==============
 
 
WHAT IF
    G.Vriend,
      WHAT IF: a molecular modelling and drug design program,
    J. Mol. Graph. 8, 52--56 (1990).
 
WHAT_CHECK (verification routines from WHAT IF)
    R.W.W.Hooft, G.Vriend, C.Sander and E.E.Abola,
      Errors in protein structures
    Nature 381, 272 (1996).
    (see also http://swift.cmbi.ru.nl/gv/whatcheck for a course and extra
    information)
 
PDB facilities
    Touw WG, Baakman C, Black J, te Beek TA, Krieger E, Joosten RP, Vriend G.
      A series of PDB-related databanks for everyday needs.
    Nucleic Acids Research D364-368 Database issue (2015).
 
Bond lengths and angles, protein residues
    R.Engh and R.Huber,
      Accurate bond and angle parameters for X-ray protein structure
      refinement,
    Acta Crystallogr. A47, 392--400 (1991) and
    R.Engh and R.Huber,
    International Tables for Crystallography (2001)
 
 
Bond lengths and angles, DNA/RNA
    G.Parkinson, J.Voitechovsky, L.Clowney, A.T.Bruenger and H.Berman,
      New parameters for the refinement of nucleic acid-containing structures
    Acta Crystallogr. D52, 57--64 (1996).
 
DSSP
    W.Kabsch and C.Sander,
      Dictionary of protein secondary structure: pattern
      recognition of hydrogen bond and geometrical features
    Biopolymers 22, 2577--2637 (1983).
 
Hydrogen bond networks
    R.W.W.Hooft, C.Sander and G.Vriend,
      Positioning hydrogen atoms by optimizing hydrogen bond networks in
      protein structures
    PROTEINS, 26, 363--376 (1996).
 
Matthews' Coefficient
    B.W.Matthews
      Solvent content of Protein Crystals
    J. Mol. Biol. 33, 491--497 (1968).
 
Peptide flips
    Touw WG, Joosten RP, Vriend G.
      Detection of trans-cis flips and peptide-plane flips in protein
      structures.
    Acta Crystallogr D Biological Crystallograhy 71, 1604-1614 (2015).
 
Protein side chain planarity
    R.W.W. Hooft, C. Sander and G. Vriend,
      Verification of protein structures: side-chain planarity
    J. Appl. Cryst. 29, 714--716 (1996).
 
Puckering parameters
    D.Cremer and J.A.Pople,
      A general definition of ring puckering coordinates
    J. Am. Chem. Soc. 97, 1354--1358 (1975).
 
Quality Control
    G.Vriend and C.Sander,
      Quality control of protein models: directional atomic
      contact analysis,
    J. Appl. Cryst. 26, 47--60 (1993).
 
Ramachandran plot
    G.N.Ramachandran, C.Ramakrishnan and V.Sasisekharan,
      Stereochemistry of Polypeptide Chain Conformations
    J. Mol. Biol. 7, 95--99 (1963).
    R.W.W. Hooft, C.Sander and G.Vriend,
      Objectively judging the quality of a protein structure from a
      Ramachandran plot
    CABIOS (1997), 13, 425--430.
 
Symmetry Checks
    R.W.W.Hooft, C.Sander and G.Vriend,
      Reconstruction of symmetry related molecules from protein
      data bank (PDB) files
    J. Appl. Cryst. 27, 1006--1009 (1994).
 
Tau angle
    W.G.Touw and G.Vriend
      On the complexity of Engh and Huber refinement restraints: the angle
      tau as example.
    Acta Crystallogr D 66, 1341--1350 (2010).
 
Ion Checks
    I.D.Brown and K.K.Wu,
      Empirical Parameters for Calculating Cation-Oxygen Bond Valences
    Acta Cryst. B32, 1957--1959 (1975).
 
    M.Nayal and E.Di Cera,
      Valence Screening of Water in Protein Crystals Reveals Potential Na+
      Binding Sites
    J.Mol.Biol. 256 228--234 (1996).
 
    P.Mueller, S.Koepke and G.M.Sheldrick,
      Is the bond-valence method able to identify metal atoms in protein
      structures?
    Acta Cryst. D 59 32--37 (2003).
 
Checking checks
    K.Wilson, C.Sander, R.W.W.Hooft, G.Vriend, et al.
      Who checks the checkers
    J.Mol.Biol. (1998) 276,417-436.
