************************************************************************
********** 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/wctemp_0cyc/4zpt_0cyc.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     -19.678  25.706 -69.407  1.00 37.13       302 O
ATOM  *****  O   HOH A 303       0.574  18.708 -60.561  1.00 31.91       303 O
ATOM  *****  O   HOH A 304     -12.465  34.710 -80.253  1.00 43.70       304 O
ATOM  *****  O   HOH A 305      -6.057  34.178 -91.767  1.00 36.65       305 O
ATOM  *****  O   HOH A 306     -29.814  28.389-100.398  1.00 24.53       306 O
ATOM  *****  O   HOH A 307       1.570  37.179 -55.235  1.00 22.04       307 O
ATOM  *****  O   HOH A 308     -31.648  31.655 -91.338  1.00 22.95       308 O
ATOM  *****  O   HOH A 309     -32.130  39.167 -81.057  1.00 15.69       309 O
ATOM  *****  O   HOH A 310      -1.860  31.568 -94.281  1.00 32.16       310 O
ATOM  *****  O   HOH A 311       7.445  30.893 -54.752  1.00 19.93       311 O
ATOM  *****  O   HOH A 312      -3.145  20.525 -67.606  1.00 38.90       312 O
ATOM  *****  O   HOH A 313     -35.081  32.172 -79.843  1.00 30.71       313 O
ATOM  *****  O   HOH A 314     -24.151  37.177 -91.821  1.00 31.74       314 O
ATOM  *****  O   HOH A 315      -2.212  25.706 -67.650  1.00 37.13       315 O
ATOM  *****  O   HOH A 316     -17.803  32.662 -73.858  1.00 23.65       316 O
ATOM  *****  O   HOH A 317     -18.170  27.975 -58.875  1.00 24.33       317 O
ATOM  *****  O   HOH A 318     -18.493  40.037 -71.053  1.00 27.58       318 O
ATOM  *****  O   HOH A 319     -24.359  41.784 -78.661  1.00 52.91       319 O
ATOM  *****  O   HOH A 320      -1.147  29.522 -49.575  1.00 25.51       320 O
ATOM  *****  O   HOH A 321     -20.446  17.953 -98.594  1.00 35.49       321 O
ATOM  *****  O   HOH A 322      -8.615  23.292 -85.935  1.00 57.07       322 O
ATOM  *****  O   HOH A 323     -29.065  33.621 -95.827  1.00 22.17       323 O
ATOM  *****  O   HOH A 324      -0.567  19.919 -68.610  1.00 24.43       324 O
ATOM  *****  O   HOH A 325       1.135  31.281 -50.499  1.00 19.92       325 O
ATOM  *****  O   HOH A 326     -29.495  36.944 -88.669  1.00 29.52       326 O
ATOM  *****  O   HOH A 327     -17.916  43.136 -95.312  1.00 42.97       327 O
ATOM  *****  O   HOH A 328      -0.042  39.937 -56.349  1.00 36.12       328 O
ATOM  *****  O   HOH A 329     -22.614  37.032 -98.509  1.00 33.74       329 O
ATOM  *****  O   HOH A 330      -7.223  30.002 -85.510  1.00 38.90       330 O
ATOM  *****  O   HOH A 331       0.870  34.375 -68.692  1.00 25.55       331 O
ATOM  *****  O   HOH A 332      11.175  20.164 -60.625  1.00 28.68       332 O
ATOM  *****  O   HOH A 333      -2.704  28.795 -70.421  1.00 45.56       333 O
ATOM  *****  O   HOH A 334      -0.911  37.369 -65.526  1.00 41.97       334 O
ATOM  *****  O   HOH A 335     -25.356  24.278 -75.389  1.00 14.06       335 O
ATOM  *****  O   HOH A 336       7.190  14.015 -51.842  1.00 49.43       336 O
ATOM  *****  O   HOH A 337     -21.691  41.573 -68.010  1.00 26.26       337 O
ATOM  *****  O   HOH A 338     -19.215  18.308 -95.378  1.00  6.97       338 O
ATOM  *****  O   HOH A 339     -30.192  25.835 -80.914  1.00 20.72       339 O
ATOM  *****  O   HOH A 340       5.227  34.423 -71.799  1.00 31.32       340 O
ATOM  *****  O   HOH A 341      -8.664  23.979 -67.908  1.00 34.71       341 O
ATOM  *****  O   HOH A 342      -5.542  24.480-101.125  1.00 49.14       342 O
ATOM  *****  O   HOH A 343       2.260  26.967 -67.788  1.00 32.71       343 O
ATOM  *****  O   HOH A 344      -2.128  24.025 -95.254  1.00 34.82       344 O
ATOM  *****  O   HOH A 345     -15.625  23.913-101.963  1.00 31.06       345 O
ATOM  *****  O   HOH A 346       3.922  15.970 -53.671  1.00 31.85       346 O
ATOM  *****  O   HOH A 347       7.736  25.730 -71.339  1.00 37.71       347 O
ATOM  *****  O   HOH A 348     -26.199  41.005 -74.666  1.00 32.36       348 O
ATOM  *****  O   HOH A 349     -14.370  41.412 -89.067  1.00 34.53       349 O
ATOM  *****  O   HOH A 350     -16.693  25.096-104.117  1.00 27.22       350 O
ATOM  *****  O   HOH A 351      -6.668  27.561-103.302  1.00 23.82       351 O
ATOM  *****  O   HOH A 352     -26.346  35.850 -96.979  1.00 20.73       352 O
ATOM  *****  O   HOH A 353       8.689  22.845 -67.519  1.00 27.00       353 O
ATOM  *****  O   HOH A 354     -32.636  20.517 -90.315  1.00 25.82       354 O
ATOM  *****  O   HOH A 355     -12.681  31.946 -77.335  1.00 32.52       355 O
ATOM  *****  O   HOH A 356     -17.305  32.612-106.384  1.00 23.69       356 O
ATOM  *****  O   HOH A 357     -16.800  39.935 -85.355  1.00 31.40       357 O
ATOM  *****  O   HOH A 358       5.557  34.867 -63.403  1.00 17.64       358 O
ATOM  *****  O   HOH A 359       1.329  19.872 -51.032  1.00 34.97       359 O
ATOM  *****  O   HOH A 360     -19.088  24.302 -53.738  1.00 39.75       360 O
ATOM  *****  O   HOH A 361     -11.692  22.986 -60.178  1.00 22.17       361 O
ATOM  *****  O   HOH A 362       9.781  36.953 -57.109  1.00 34.90       362 O
ATOM  *****  O   HOH A 363     -24.389  43.578 -86.044  1.00 49.32       363 O
ATOM  *****  O   HOH A 364     -31.558  26.642-107.681  1.00 27.04       364 O
ATOM  *****  O   HOH A 365       2.082  36.463 -67.468  1.00 34.84       365 O
ATOM  *****  O   HOH A 366     -14.796  34.428 -54.734  1.00 36.85       366 O
ATOM  *****  O   HOH A 367     -25.096  42.232 -83.332  1.00 47.16       367 O
ATOM  *****  O   HOH A 368     -19.916  41.876 -96.606  1.00 40.47       368 O
ATOM  *****  O   HOH A 369     -25.955  39.351 -91.626  1.00 25.87       369 O
ATOM  *****  O   HOH A 370       7.719  37.210 -58.961  1.00 36.91       370 O
ATOM  *****  O   HOH A 371      -1.944  30.521 -44.225  1.00 43.25       371 O
ATOM  *****  O   HOH A 372     -17.171  32.686 -55.610  1.00 53.69       372 O
ATOM  *****  O   HOH A 373     -12.263  39.284 -89.708  1.00 52.42       373 O
ATOM  *****  O   HOH A 374     -27.399  43.884 -84.477  1.00 44.49       374 O
ATOM  *****  O   HOH A 375       3.414  39.034 -53.802  1.00 36.08       375 O
ATOM  *****  O   HOH B 302     -21.243  15.597 -99.856  1.00 28.07       302 O
ATOM  *****  O   HOH B 303      -2.331  11.039 -84.845  1.00 27.01       303 O
ATOM  *****  O   HOH B 304      -2.728  13.357 -65.192  1.00 42.18       304 O
ATOM  *****  O   HOH B 305     -10.578  14.138 -40.615  1.00 27.04       305 O
ATOM  *****  O   HOH B 306      -2.737   7.005 -46.940  1.00 31.40       306 O
ATOM  *****  O   HOH B 307      -8.019   4.145 -96.018  1.00 25.34       307 O
ATOM  *****  O   HOH B 308     -27.241   5.334 -86.622  1.00 33.38       308 O
ATOM  *****  O   HOH B 309     -13.171   3.255 -57.777  1.00 40.25       309 O
ATOM  *****  O   HOH B 310     -21.245  14.879 -81.976  1.00 33.00       310 O
ATOM  *****  O   HOH B 311      -7.947  21.329 -89.537  1.00 35.71       311 O
ATOM  *****  O   HOH B 312      -2.689  13.105 -78.137  1.00 51.56       312 O
ATOM  *****  O   HOH B 313     -18.797  16.533 -56.334  1.00 33.83       313 O
ATOM  *****  O   HOH B 314      -2.797  -1.299 -66.339  1.00 25.20       314 O
ATOM  *****  O   HOH B 315     -17.817  12.211 -98.018  1.00 20.82       315 O
ATOM  *****  O   HOH B 316      -6.276  -2.057 -93.687  1.00 24.79       316 O
ATOM  *****  O   HOH B 317     -25.078  18.398 -87.404  1.00 22.45       317 O
ATOM  *****  O   HOH B 318     -20.960  20.452 -55.342  1.00 25.88       318 O
ATOM  *****  O   HOH B 319     -21.373   7.725-104.020  1.00 22.29       319 O
ATOM  *****  O   HOH B 320     -14.895   4.932 -93.279  1.00 14.77       320 O
ATOM  *****  O   HOH B 321     -12.016  21.343 -57.990  1.00 15.49       321 O
ATOM  *****  O   HOH B 322     -29.352  14.510 -92.199  1.00 38.28       322 O
ATOM  *****  O   HOH B 323      -3.478  37.070 -45.659  1.00 27.92       323 O
ATOM  *****  O   HOH B 324      -4.035  -3.400 -58.003  1.00 50.92       324 O
ATOM  *****  O   HOH B 325     -12.360   7.215 -51.193  1.00 42.22       325 O
ATOM  *****  O   HOH B 326      -4.892   1.383 -91.020  1.00 36.33       326 O
ATOM  *****  O   HOH B 327     -23.283   8.470 -81.931  1.00 30.19       327 O
ATOM  *****  O   HOH B 328     -26.088  12.128 -85.294  1.00 35.74       328 O
ATOM  *****  O   HOH B 329     -14.907  10.531 -56.687  1.00 30.30       329 O
ATOM  *****  O   HOH B 330      -6.385  16.659 -84.894  1.00 32.68       330 O
ATOM  *****  O   HOH B 331     -23.689  -2.320 -97.970  1.00 44.95       331 O
ATOM  *****  O   HOH B 332     -22.491  16.121 -46.445  1.00 10.48       332 O
ATOM  *****  O   HOH B 333     -22.941   2.864-100.327  1.00 27.64       333 O
ATOM  *****  O   HOH B 334     -29.700  16.909 -99.034  1.00 31.37       334 O
ATOM  *****  O   HOH B 335      -7.846  17.966 -69.568  1.00 39.78       335 O
ATOM  *****  O   HOH B 336     -17.790  14.011 -77.644  1.00 37.13       336 O
ATOM  *****  O   HOH B 337     -12.872  16.352 -77.380  1.00 38.37       337 O
ATOM  *****  O   HOH B 338     -20.477   7.716 -79.133  1.00 40.51       338 O
ATOM  *****  O   HOH B 339       0.201  -2.867 -63.790  1.00 43.46       339 O
ATOM  *****  O   HOH B 340     -27.178   8.160 -82.479  1.00 34.12       340 O
ATOM  *****  O   HOH B 341      -5.803  27.547 -42.182  1.00 38.96       341 O
ATOM  *****  O   HOH B 342      -6.283  15.501 -99.649  1.00 20.71       342 O
ATOM  *****  O   HOH B 343     -25.901  -0.973 -95.507  1.00 38.61       343 O
ATOM  *****  O   HOH B 344     -14.953  13.936 -76.405  1.00 37.08       344 O
ATOM  *****  O   HOH B 345     -20.446  16.143 -42.156  1.00 30.94       345 O
ATOM  *****  O   HOH B 346       1.302  15.523 -49.765  1.00 37.13       346 O
ATOM  *****  O   HOH B 347      -0.284  17.252 -48.734  1.00 32.16       347 O
ATOM  *****  O   HOH B 348       3.938   7.058 -72.057  1.00 48.21       348 O
ATOM  *****  O   HOH B 349      -1.776  31.002 -47.399  1.00 24.09       349 O
ATOM  *****  O   HOH B 350       5.037  -1.917 -83.233  1.00 36.91       350 O
ATOM  *****  O   HOH B 351     -25.292  16.292 -85.486  1.00 22.04       351 O
ATOM  *****  O   HOH B 352       2.547   6.797 -91.337  1.00 53.80       352 O
ATOM  *****  O   HOH B 353     -20.039  25.897 -51.496  1.00 39.90       353 O
ATOM  *****  O   HOH B 354       6.981  -0.596 -85.129  1.00 39.03       354 O
ATOM  *****  O   HOH B 355       3.814   5.353 -69.769  1.00 49.48       355 O
ATOM  *****  O   HOH R 702     -27.214  -0.119-115.261  1.00 28.73       702 O
ATOM  *****  O   HOH R 703     -25.670  26.556-109.003  1.00 38.92       703 O
ATOM  *****  O   HOH R 704     -28.154  14.794-112.524  1.00 37.13       704 O
ATOM  *****  O   HOH R 705      -1.245  12.547-110.646  1.00 30.05       705 O
ATOM  *****  O   HOH R 706     -33.624  -2.987-130.124  1.00 43.92       706 O
ATOM  *****  O   HOH R 707     -19.930   8.960-112.660  1.00 30.31       707 O
ATOM  *****  O   HOH R 708      -0.589   9.592-110.293  1.00 32.44       708 O
ATOM  *****  O   HOH R 709     -29.648  14.280-105.568  1.00 28.97       709 O
ATOM  *****  O   HOH R 710     -35.061  12.322-117.262  1.00 29.40       710 O
ATOM  *****  O   HOH R 711     -16.359  25.262-115.240  1.00 39.63       711 O
ATOM  *****  O   HOH R 712     -17.295  13.046-102.253  1.00 16.44       712 O
ATOM  *****  O   HOH R 713     -35.390   7.802-104.378  1.00 20.87       713 O
ATOM  *****  O   HOH R 714     -30.644  25.717-115.282  1.00 51.23       714 O
ATOM  *****  O   HOH R 715     -13.374  18.629-102.678  1.00 37.13       715 O
ATOM  *****  O   HOH R 716     -27.928  -8.907-105.260  1.00 38.50       716 O
ATOM  *****  O   HOH R 717      -9.703  11.255-104.229  1.00 32.16       717 O
ATOM  *****  O   HOH R 718     -27.555  13.260-104.170  1.00 25.57       718 O
ATOM  *****  O   HOH R 719     -36.833  21.301-105.283  1.00 29.40       719 O
ATOM  *****  O   HOH R 720     -18.991   0.342-111.008  1.00 37.82       720 O
ATOM  *****  O   HOH R 721     -24.891   2.628-105.746  1.00 32.78       721 O
ATOM  *****  O   HOH R 722     -36.209 -16.294-109.014  1.00 46.33       722 O
ATOM  *****  O   HOH R 723     -33.045  10.826 -99.024  1.00 34.87       723 O
ATOM  *****  O   HOH R 724     -29.304  10.459-102.502  1.00 43.38       724 O
ATOM  *****  O   HOH R 725      -5.935  18.228-100.579  1.00 14.75       725 O
ATOM  *****  O   HOH R 726       1.916  16.673-105.552  1.00 34.56       726 O
ATOM  *****  O   HOH R 727     -16.801   2.300-110.064  1.00 29.40       727 O
ATOM  *****  O   HOH R 728     -32.920   7.154-102.554  1.00 35.50       728 O
ATOM  *****  O   HOH R 729     -12.726  21.142-102.723  1.00 13.69       729 O
ATOM  *****  O   HOH H 302     -36.052  15.339 -18.082  1.00 22.06       302 O
ATOM  *****  O   HOH H 303     -28.746  38.022 -17.280  1.00 44.09       303 O
ATOM  *****  O   HOH H 304     -24.571  19.517 -10.390  1.00 40.58       304 O
ATOM  *****  O   HOH H 305     -26.179  13.735  -6.327  1.00 17.86       305 O
ATOM  *****  O   HOH H 306     -26.005  26.143 -38.687  1.00 34.84       306 O
ATOM  *****  O   HOH H 307     -32.742  38.879 -38.135  1.00 33.98       307 O
ATOM  *****  O   HOH H 308     -53.339  20.964 -53.780  1.00 25.90       308 O
ATOM  *****  O   HOH H 309     -45.305   8.019 -53.953  1.00 35.06       309 O
ATOM  *****  O   HOH H 310     -45.823   5.265 -51.416  1.00 48.05       310 O
ATOM  *****  O   HOH H 311     -47.469   2.989 -61.147  1.00 49.55       311 O
ATOM  *****  O   HOH H 312     -25.908  40.158 -39.424  1.00 41.99       312 O
ATOM  *****  O   HOH H 313     -30.853  31.734 -35.157  1.00 28.01       313 O
ATOM  *****  O   HOH H 314     -19.306  34.090 -11.057  1.00 33.23       314 O
ATOM  *****  O   HOH H 315     -54.909  23.206 -48.335  1.00 23.59       315 O
ATOM  *****  O   HOH H 316     -15.406  38.307 -28.283  1.00 37.13       316 O
ATOM  *****  O   HOH H 317     -36.619  19.494 -24.496  1.00 30.88       317 O
ATOM  *****  O   HOH H 318     -25.029  22.674 -13.750  1.00 38.25       318 O
ATOM  *****  O   HOH H 319     -14.050  26.481 -18.150  1.00 40.91       319 O
ATOM  *****  O   HOH H 320     -38.893  11.399 -41.313  1.00 37.08       320 O
ATOM  *****  O   HOH H 321     -13.860  27.195 -21.391  1.00 41.80       321 O
ATOM  *****  O   HOH H 322     -51.127  27.851 -41.468  1.00 34.73       322 O
ATOM  *****  O   HOH H 323     -38.573  27.553 -27.394  1.00 35.19       323 O
ATOM  *****  O   HOH H 324     -52.834  29.309 -43.479  1.00 52.29       324 O
ATOM  *****  O   HOH H 325     -56.739  22.789 -57.557  1.00 39.09       325 O
ATOM  *****  O   HOH H 326     -35.753  32.806 -38.145  1.00 36.16       326 O
ATOM  *****  O   HOH H 327     -33.516  22.471 -40.045  1.00 35.03       327 O
ATOM  *****  O   HOH H 328     -32.822  34.026 -51.534  1.00 36.89       328 O
ATOM  *****  O   HOH H 329     -35.655  29.485 -32.182  1.00 30.00       329 O
ATOM  *****  O   HOH H 330     -57.267  25.580 -51.127  1.00 54.32       330 O
ATOM  *****  O   HOH H 331     -41.528  32.502 -52.228  1.00 34.39       331 O
ATOM  *****  O   HOH H 332     -40.479  19.775 -19.454  1.00 42.13       332 O
ATOM  *****  O   HOH H 333     -45.352  10.502 -56.896  1.00 36.10       333 O
ATOM  *****  O   HOH H 334     -36.469  37.439 -24.368  1.00 24.58       334 O
ATOM  *****  O   HOH H 335     -38.136  33.499 -29.467  1.00 39.91       335 O
ATOM  *****  O   HOH H 336     -14.259  34.879 -22.667  1.00 55.85       336 O
ATOM  *****  O   HOH H 337     -47.048  18.857 -40.936  1.00 25.83       337 O
ATOM  *****  O   HOH H 338     -37.658  30.336 -29.726  1.00 52.22       338 O
ATOM  *****  O   HOH H 339     -48.408  33.403 -48.764  1.00 48.26       339 O
ATOM  *****  O   HOH H 340     -18.452  24.323 -21.045  1.00 34.76       340 O
ATOM  *****  O   HOH H 341     -26.727  42.831 -34.439  1.00 43.30       341 O
ATOM  *****  O   HOH H 342     -53.143  25.459 -45.266  1.00 26.42       342 O
ATOM  *****  O   HOH H 343     -41.883  22.201  -6.595  1.00 34.24       343 O
ATOM  *****  O   HOH H 344     -33.975  36.956  -8.045  1.00 29.84       344 O
ATOM  *****  O   HOH H 345     -43.195  34.316 -39.076  1.00 40.24       345 O
ATOM  *****  O   HOH H 346     -30.013  29.197 -52.162  1.00 37.13       346 O
ATOM  *****  O   HOH H 347     -41.110  21.708 -21.570  1.00 37.13       347 O
ATOM  *****  O   HOH H 348     -34.150  33.370 -35.665  1.00 42.98       348 O
ATOM  *****  O   HOH H 349     -17.206  28.437 -12.030  1.00 37.42       349 O
ATOM  *****  O   HOH H 350     -12.054  33.135 -23.936  1.00 52.58       350 O
ATOM  *****  O   HOH H 351     -43.733  32.488 -36.684  1.00 32.97       351 O
ATOM  *****  O   HOH H 352     -40.031  20.276 -23.978  1.00 37.13       352 O
ATOM  *****  O   HOH H 353     -31.612  31.502 -53.326  1.00 37.13       353 O
ATOM  *****  O   HOH H 354     -44.031  37.077 -38.683  1.00 41.36       354 O
ATOM  *****  O   HOH H 355     -49.608  29.718 -37.118  1.00 46.73       355 O
ATOM  *****  O   HOH H 356     -40.359  34.739 -28.883  1.00 43.86       356 O
ATOM  *****  O   HOH H 357     -52.083  29.776 -38.279  1.00 43.48       357 O
ATOM  *****  O   HOH S 702     -32.272   9.108  -4.714  1.00 26.01       702 O
ATOM  *****  O   HOH S 703     -31.685  18.157 -10.345  1.00 22.12       703 O
ATOM  *****  O   HOH S 704      -7.957  31.358   4.702  1.00 32.45       704 O
ATOM  *****  O   HOH S 705       9.172  -3.752   5.628  1.00 48.60       705 O
ATOM  *****  O   HOH S 706     -20.299   8.175   7.794  1.00 30.69       706 O
ATOM  *****  O   HOH S 707     -12.643  -6.337  11.477  1.00 43.60       707 O
ATOM  *****  O   HOH S 708     -12.594  28.208   7.737  1.00 31.30       708 O
ATOM  *****  O   HOH S 709     -11.093   8.381  15.501  1.00 43.95       709 O
ATOM  *****  O   HOH S 710      -5.474  28.474   5.052  1.00 31.98       710 O
ATOM  *****  O   HOH S 711     -25.593   3.901  13.195  1.00 37.63       711 O
ATOM  *****  O   HOH S 712     -35.084  17.854  -8.354  1.00 41.90       712 O
ATOM  *****  O   HOH S 713     -26.300   3.664   2.518  1.00 34.40       713 O
ATOM  *****  O   HOH S 714     -12.224  -3.371  18.229  1.00 38.67       714 O
ATOM  *****  O   HOH S 715     -30.779  19.666  11.543  1.00 42.82       715 O
ATOM  *****  O   HOH S 716     -37.849  18.290  12.929  1.00 61.04       716 O
ATOM  *****  O   HOH S 717      -3.249  -4.701  15.526  1.00 50.06       717 O
ATOM  *****  O   HOH S 718      -0.055  -5.946  15.002  1.00 43.89       718 O
ATOM  *****  O   HOH S 719     -38.065  14.044  -8.892  1.00 24.99       719 O
ATOM  *****  O   HOH L 302     -37.509   5.556 -24.959  1.00 24.01       302 O
ATOM  *****  O   HOH L 303     -40.437   9.474 -52.859  1.00 21.08       303 O
ATOM  *****  O   HOH L 304     -42.127   7.252 -12.650  1.00 38.37       304 O
ATOM  *****  O   HOH L 305     -12.721  12.608 -25.491  1.00 29.64       305 O
ATOM  *****  O   HOH L 306     -23.506  17.402  -8.796  1.00 36.39       306 O
ATOM  *****  O   HOH L 307     -36.152  10.963 -69.508  1.00 46.08       307 O
ATOM  *****  O   HOH L 308     -14.838  19.852 -15.702  1.00 35.15       308 O
ATOM  *****  O   HOH L 309     -40.361  22.951 -65.073  1.00 38.84       309 O
ATOM  *****  O   HOH L 310     -32.219  -2.017 -17.725  1.00 32.97       310 O
ATOM  *****  O   HOH L 311     -31.343   8.872 -43.786  1.00 38.86       311 O
ATOM  *****  O   HOH L 312     -19.779  21.501 -20.986  1.00 18.93       312 O
ATOM  *****  O   HOH L 313     -31.938  18.137 -50.681  1.00 29.60       313 O
ATOM  *****  O   HOH L 314     -33.936  -7.124 -23.363  1.00 17.67       314 O
ATOM  *****  O   HOH L 315     -28.139  -1.034 -49.193  1.00 27.88       315 O
ATOM  *****  O   HOH L 316     -27.409  -1.614 -15.157  1.00 23.46       316 O
ATOM  *****  O   HOH L 317     -35.837  -5.659 -34.866  1.00 26.80       317 O
ATOM  *****  O   HOH L 318     -30.423  11.412 -68.078  1.00 14.83       318 O
ATOM  *****  O   HOH L 319     -38.097   7.469 -43.001  1.00 32.66       319 O
ATOM  *****  O   HOH L 320     -24.885  15.450 -71.009  1.00 31.57       320 O
ATOM  *****  O   HOH L 321     -22.869  20.287 -53.479  1.00 34.96       321 O
ATOM  *****  O   HOH L 322     -19.506   9.688 -29.362  1.00 48.67       322 O
ATOM  *****  O   HOH L 323     -25.160  12.997 -10.385  1.00 23.48       323 O
ATOM  *****  O   HOH L 324     -16.365  16.074 -22.804  1.00 29.13       324 O
ATOM  *****  O   HOH L 325     -29.983  -8.680 -26.121  1.00 34.61       325 O
ATOM  *****  O   HOH L 326     -35.116  -8.442 -44.601  1.00 25.31       326 O
ATOM  *****  O   HOH L 327     -19.173  19.328 -22.579  1.00 24.51       327 O
ATOM  *****  O   HOH L 328     -23.494  15.593 -52.591  1.00 45.66       328 O
ATOM  *****  O   HOH L 329     -24.241   5.018 -15.014  1.00 13.45       329 O
ATOM  *****  O   HOH L 330     -36.271   1.506 -61.736  1.00 35.89       330 O
ATOM  *****  O   HOH L 331     -34.676  13.489 -38.785  1.00 26.37       331 O
ATOM  *****  O   HOH L 332     -41.209  10.483 -59.715  1.00 23.16       332 O
ATOM  *****  O   HOH L 333     -26.912  22.081 -75.407  1.00 38.75       333 O
ATOM  *****  O   HOH L 334     -17.323  11.413 -26.560  1.00 26.37       334 O
ATOM  *****  O   HOH L 335     -30.116  -0.820 -56.602  1.00 43.95       335 O
ATOM  *****  O   HOH L 336     -17.099   6.528  -7.314  1.00 28.94       336 O
ATOM  *****  O   HOH L 337     -39.988   3.927 -56.258  1.00 33.83       337 O
ATOM  *****  O   HOH L 338     -25.792  18.935 -13.759  1.00 40.23       338 O
ATOM  *****  O   HOH L 339     -46.419  30.161 -62.639  1.00 36.84       339 O
ATOM  *****  O   HOH L 340     -20.327  10.613  -4.057  1.00 32.16       340 O
ATOM  *****  O   HOH L 341     -42.830  12.709 -58.837  1.00 30.23       341 O
ATOM  *****  O   HOH L 342     -37.255  17.326 -19.967  1.00 29.65       342 O
ATOM  *****  O   HOH L 343     -30.225  31.693 -65.223  1.00 27.80       343 O
ATOM  *****  O   HOH L 344     -39.769  -3.159 -49.504  1.00 41.94       344 O
ATOM  *****  O   HOH L 345     -39.763  21.099 -67.629  1.00 43.73       345 O
ATOM  *****  O   HOH L 346     -39.055  10.086 -36.019  1.00 42.19       346 O
ATOM  *****  O   HOH L 347     -40.943  14.193  -9.757  1.00 41.01       347 O
ATOM  *****  O   HOH L 348     -24.329   4.777 -44.636  1.00 47.51       348 O
ATOM  *****  O   HOH L 349     -24.992   9.462 -52.565  1.00 41.84       349 O
ATOM  *****  O   HOH L 350     -41.179  13.516 -69.140  1.00 21.73       350 O
ATOM  *****  O   HOH L 351     -36.524  11.634 -10.011  1.00 27.57       351 O
ATOM  *****  O   HOH L 352     -28.314  16.261 -43.388  1.00 43.54       352 O
ATOM  *****  O   HOH L 353     -27.162  17.895 -44.747  1.00 36.75       353 O
ATOM  *****  O   HOH L 354     -25.972   9.185 -50.104  1.00 38.43       354 O
ATOM  *****  O   HOH L 355     -41.073  18.646 -67.671  1.00 25.79       355 O
ATOM  *****  O   HOH L 356     -25.488   6.356 -46.837  1.00 42.41       356 O
ATOM  *****  O   HOH L 357     -36.841  11.056 -37.561  1.00 46.22       357 O
ATOM  *****  O   HOH L 358     -38.055   7.198 -22.342  1.00 28.13       358 O
ATOM  *****  O   HOH L 359     -32.595  33.389 -65.950  1.00 33.85       359 O
ATOM  *****  O   HOH L 360     -42.764   8.052 -59.993  1.00 39.88       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:
ERROR reading coordinate file. WHAT IF is trying to recover.
Please check your SOUP carefully after this option finished.
The line in the input file that created this problem is:
ERROR reading coordinate file. WHAT IF is trying to recover.
Please check your SOUP carefully after this option finished.
The line in the input file that created this problem is:
ERROR reading coordinate file. WHAT IF is trying to recover.
Please check your SOUP carefully after this option finished.
The line in the input file that created this problem is:
ERROR reading coordinate file. WHAT IF is trying to recover.
Please check your SOUP carefully after this option finished.
The line in the input file that created this problem is:
ERROR reading coordinate file. WHAT IF is trying to recover.
Please check your SOUP carefully after this option finished.
The line in the input file that created this problem is:
ERROR reading coordinate file. WHAT IF is trying to recover.
Please check your SOUP carefully after this option finished.
The line in the input file that created this problem is:
ERROR reading coordinate file. WHAT IF is trying to recover.
Please check your SOUP carefully after this option finished.
The line in the input file that created this problem is:
ERROR reading coordinate file. WHAT IF is trying to recover.
Please check your SOUP carefully after this option finished.
The line in the input file that created this problem is:
ERROR reading coordinate file. WHAT IF is trying to recover.
Please check your SOUP carefully after this option finished.
The line in the input file that created this problem is:
ERROR reading coordinate file. WHAT IF is trying to recover.
Please check your SOUP carefully after this option finished.
The line in the input file that created this problem is:
ERROR reading coordinate file. WHAT IF is trying to recover.
Please check your SOUP carefully after this option finished.
The line in the input file that created this problem is:
ERROR reading coordinate file. WHAT IF is trying to recover.
Please check your SOUP carefully after this option finished.
The line in the input file that created this problem is:
ERROR reading coordinate file. WHAT IF is trying to recover.
Please check your SOUP carefully after this option finished.
The line in the input file that created this problem is:
ERROR reading coordinate file. WHAT IF is trying to recover.
Please check your SOUP carefully after this option finished.
The line in the input file that created this problem is:
ERROR reading coordinate file. WHAT IF is trying to recover.
Please check your SOUP carefully after this option finished.
The line in the input file that created this problem is:
ERROR reading coordinate file. WHAT IF is trying to recover.
Please check your SOUP carefully after this option finished.
The line in the input file that created this problem is:
ERROR reading coordinate file. WHAT IF is trying to recover.
Please check your SOUP carefully after this option finished.
The line in the input file that created this problem is:
ERROR reading coordinate file. WHAT IF is trying to recover.
Please check your SOUP carefully after this option finished.
The line in the input file that created this problem is:
ERROR reading coordinate file. WHAT IF is trying to recover.
Please check your SOUP carefully after this option finished.
The line in the input file that created this problem is:
ERROR reading coordinate file. WHAT IF is trying to recover.
Please check your SOUP carefully after this option finished.
The line in the input file that created this problem is:
ERROR reading coordinate file. WHAT IF is trying to recover.
Please check your SOUP carefully after this option finished.
The line in the input file that created this problem is:
ERROR reading coordinate file. WHAT IF is trying to recover.
Please check your SOUP carefully after this option finished.
The line in the input file that created this problem is:
ERROR reading coordinate file. WHAT IF is trying to recover.
Please check your SOUP carefully after this option finished.
The line in the input file that created this problem is:
ERROR reading coordinate file. WHAT IF is trying to recover.
Please check your SOUP carefully after this option finished.
The line in the input file that created this problem is:
ERROR reading coordinate file. WHAT IF is trying to recover.
Please check your SOUP carefully after this option finished.
The line in the input file that created this problem is:
ERROR reading coordinate file. WHAT IF is trying to recover.
Please check your SOUP carefully after this option finished.
The line in the input file that created this problem is:
ERROR reading coordinate file. WHAT IF is trying to recover.
Please check your SOUP carefully after this option finished.
The line in the input file that created this problem is:
ERROR reading coordinate file. WHAT IF is trying to recover.
Please check your SOUP carefully after this option finished.
The line in the input file that created this problem is:
ERROR reading coordinate file. WHAT IF is trying to recover.
Please check your SOUP carefully after this option finished.
The line in the input file that created this problem is:
ERROR reading coordinate file. WHAT IF is trying to recover.
Please check your SOUP carefully after this option finished.
The line in the input file that created this problem is:
ERROR reading coordinate file. WHAT IF is trying to recover.
Please check your SOUP carefully after this option finished.
The line in the input file that created this problem is:
ERROR reading coordinate file. WHAT IF is trying to recover.
Please check your SOUP carefully after this option finished.
The line in the input file that created this problem is:
ERROR reading coordinate file. WHAT IF is trying to recover.
Please check your SOUP carefully after this option finished.
The line in the input file that created this problem is:
ERROR reading coordinate file. WHAT IF is trying to recover.
Please check your SOUP carefully after this option finished.
The line in the input file that created this problem is:
ERROR reading coordinate file. WHAT IF is trying to recover.
Please check your SOUP carefully after this option finished.
The line in the input file that created this problem is:
ERROR reading coordinate file. WHAT IF is trying to recover.
Please check your SOUP carefully after this option finished.
The line in the input file that created this problem is:
ERROR reading coordinate file. WHAT IF is trying to recover.
Please check your SOUP carefully after this option finished.
The line in the input file that created this problem is:
ERROR reading coordinate file. WHAT IF is trying to recover.
Please check your SOUP carefully after this option finished.
The line in the input file that created this problem is:
ERROR reading coordinate file. WHAT IF is trying to recover.
Please check your SOUP carefully after this option finished.
The line in the input file that created this problem is:
ERROR reading coordinate file. WHAT IF is trying to recover.
Please check your SOUP carefully after this option finished.
The line in the input file that created this problem is:
ERROR reading coordinate file. WHAT IF is trying to recover.
Please check your SOUP carefully after this option finished.
The line in the input file that created this problem is:
ERROR reading coordinate file. WHAT IF is trying to recover.
Please check your SOUP carefully after this option finished.
The line in the input file that created this problem is:
ERROR reading coordinate file. WHAT IF is trying to recover.
Please check your SOUP carefully after this option finished.
The line in the input file that created this problem is:
ERROR reading coordinate file. WHAT IF is trying to recover.
Please check your SOUP carefully after this option finished.
The line in the input file that created this problem is:
ERROR reading coordinate file. WHAT IF is trying to recover.
Please check your SOUP carefully after this option finished.
The line in the input file that created this problem is:
ERROR reading coordinate file. WHAT IF is trying to recover.
Please check your SOUP carefully after this option finished.
The line in the input file that created this problem is:
ERROR reading coordinate file. WHAT IF is trying to recover.
Please check your SOUP carefully after this option finished.
The line in the input file that created this problem is:
ERROR reading coordinate file. WHAT IF is trying to recover.
Please check your SOUP carefully after this option finished.
The line in the input file that created this problem is:
ERROR reading coordinate file. WHAT IF is trying to recover.
Please check your SOUP carefully after this option finished.
The line in the input file that created this problem is:
ERROR reading coordinate file. WHAT IF is trying to recover.
Please check your SOUP carefully after this option finished.
The line in the input file that created this problem is:
ERROR reading coordinate file. WHAT IF is trying to recover.
Please check your SOUP carefully after this option finished.
The line in the input file that created this problem is:
ERROR reading coordinate file. WHAT IF is trying to recover.
Please check your SOUP carefully after this option finished.
The line in the input file that created this problem is:
ERROR reading coordinate file. WHAT IF is trying to recover.
Please check your SOUP carefully after this option finished.
The line in the input file that created this problem is:
ERROR reading coordinate file. WHAT IF is trying to recover.
Please check your SOUP carefully after this option finished.
The line in the input file that created this problem is:
ERROR reading coordinate file. WHAT IF is trying to recover.
Please check your SOUP carefully after this option finished.
The line in the input file that created this problem is:
ERROR reading coordinate file. WHAT IF 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 : 0.937
 CA-only RMS fit for the two chains : 0.676
 
# 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 : 1.110
 CA-only RMS fit for the two chains : 0.663
 
# 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: 138418.844
 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= 23.673
 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= 2.959
 And remember, a matrix counting problem has been reported earlier already
 
# 11 # Note: Z missing on CRYST1 card
The messages above seem likely caused by the fact that Z is missing from the
CRYST1 card.
 
# 12 # 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.
 
# 13 # 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.
 
# 14 # Note: No strange inter-chain connections detected
No covalent bonds have been detected between molecules with non-identical
chain identifiers.
 
# 15 # Note: No duplicate atom names in ligands
All atom names in ligands (if any) seem adequately unique.
 
# 16 # 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).
 
# 17 # 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).
 
# 18 # 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.
 
# 19 # 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.
 
# 20 # 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)   635 GLU (   1-)H  -
 
# 21 # 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.
 
  635 GLU  (   1-) H  -
 
# 22 # Note: No C-alpha only residues
There are no residues that consist of only an alpha carbon atom.
 
# 23 # 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             To check
     2   214 (    1)   425 (  212) B Protein             To check
     3   426 (  381)   633 (  588) R Protein             To check
     4   634 (  601)   634 (  601) R Sugar               To check
     5   635 (    1)   848 (  213) H Protein             To check
     6   849 (  381)  1056 (  588) S Protein             To check
     7  1057 (  601)  1057 (  601) S Sugar               To check
     8  1058 (    1)  1269 (  212) L Protein             To check
     9  1270 ( HOH )  1270 ( HOH ) A water   (    1)     To check
    10  1271 ( HOH )  1271 ( HOH ) B water   (    1)     To check
    11  1272 ( HOH )  1272 ( HOH ) R water   (    1)     To check
    12  1273 ( HOH )  1273 ( HOH ) H water   (    1)     To check
    13  1274 ( HOH )  1274 ( HOH ) S water   (    1)     To check
    14  1275 ( HOH )  1275 ( HOH ) L water   (    1)     To check
MODELs skipped upon reading PDB file: 0
X-ray structure. No MODELs found
The total number of amino acids found is 1267
of which 26 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
 
# 24 # 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
 
# 25 # Note: Ramachandran plot
 
 
In the TeX file, a plot has been inserted here
 
Chain identifier: B
 
# 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: L
 
# 28 # 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
                  |         |         |         |         |         |
  635 -  694 EVKLVESGGGLVKPGGSLKLSCAASGFTFSSYAMSWVRQTPEKRLEWVATISSGGTYTYY
(   1)-(  59)
                700       710       720       730       740       750
                  |         |         |         |         |         |
  695 -  754 PDSVKGRFTISRDNAENTLYLQMSSLRSEDTAMYYCVRDGNSMDYWGQGTSVTVSSAKTT
(  60)-( 117)
                760       770       780       790       800       810
                  |         |         |         |         |         |
  755 -  814 APSVYPLAPVCGTGSSVTLGCLVKGYFPEPVTLTWNSGSLSSGVHTFPAVLQSDLYTLSS
( 118)-( 179)
                820       830       840
                  |         |         |
  815 -  848 SVTVTSSTWPSQSITCNVAHPASSTKVDKKIEPR
( 180)-( 213)
            850       860       870       880       890       900
              |         |         |         |         |         |
  849 -  908 VECDFSPLLSGTPPQVYNFKRLVFTNCNYNLTKLLSLFSVNDFTCSQISPAAIASNCYSS
( 381)-( 440)
            910       920       930       940       950       960
              |         |         |         |         |         |
  909 -  968 LILDYFSYPLSMKSDLSVSSAGPISQFNYKQSFSNPTCLILATVPHNLTTITKPLKYSYI
( 441)-( 500)
            970       980       990      1000      1010      1020
              |         |         |         |         |         |
  969 - 1028 NKCSRFLSDDRTEVPQLVNANQYSPCVSIVPSTVWEDGDYYRKQLSPLEGGGWLVASGST
( 501)-( 560)
           1030      1040      1050
              |         |         |
 1029 - 1056 VAMTEQLQMGFGITVQYGTDTNSVCPKL
( 561)-( 588)
            1060      1070      1080      1090      1100      1110
               |         |         |         |         |         |
 1058 - 1117 DIQMTQTTSSLSASLGDRVTIICRASQDINNYLNWYQQKPDGTVKLLIYYTSRLHSGVPS
(   1)-(  60)
            1120      1130      1140      1150      1160      1170
               |         |         |         |         |         |
 1118 - 1177 RFSGSGSGSDYSLTISNLEQEDIATYFCQQANTLPPTFGAGTKLELRRADAAPTVSIFPP
(  61)-( 120)
            1180      1190      1200      1210      1220      1230
               |         |         |         |         |         |
 1178 - 1237 SSEQLTSGGASVVCFLNNFYPKDINVKWKIDGSERQNGVLNSWTDQDSKDSTYSMSSTLT
( 121)-( 180)
            1240      1250      1260
               |         |         |
 1238 - 1269 LTKDEYERHNSYTCEATHKTSTSPIVKSFNRN
( 181)-( 212)
 
 
 
 
# 29 # Note: No rounded coordinates detected
No significant rounding of atom coordinates has been detected.
 
# 30 # 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.
 
# 31 # 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'.
 
  635 GLU  (   1-) H  -    N
 
# 32 # 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.
 
  479 ALA  ( 434-) R  -   High
  480 SER  ( 435-) R  -   High
  481 ASN  ( 436-) R  -   High
  623 GLY  ( 578-) R  -   High
  624 THR  ( 579-) R  -   High
  625 ASP  ( 580-) R  -   High
  626 THR  ( 581-) R  -   High
  627 ASN  ( 582-) R  -   High
  630 CYS  ( 585-) R  -   High
  633 LEU  ( 588-) R  -   High
  634 NAG  ( 601-) R  -   High
  710 GLU  (  75-) H  -   High
  765 CYS  ( 128-) H  -   High
  878 ASN  ( 410-) S  -   High
  921 LYS  ( 453-) S  -   High
  926 VAL  ( 458-) S  -   High
  927 SER  ( 459-) S  -   High
  928 SER  ( 460-) S  -   High
  954 HIS  ( 486-) S  -   High
  977 ASP  ( 509-) S  -   High
  978 ASP  ( 510-) S  -   High
  979 ARG  ( 511-) S  -   High
  980 THR  ( 512-) S  -   High
 1010 ARG  ( 542-) S  -   High
 1048 ASP  ( 580-) S  -   High
 1049 THR  ( 581-) S  -   High
 1057 NAG  ( 601-) S  -   High
 
# 33 # 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  -        -OXT
  425 ASN  ( 212-) B  -        OK
  633 LEU  ( 588-) R  -        OK
  766 GLY  ( 129-) H  -        OK (2)
  848 ARG  ( 213-) H  -        -OXT
 1056 LEU  ( 588-) S  -        OK
 1269 ASN  ( 212-) L  -        OK
 
# 34 # Note: Weights administratively correct
All atomic occupancy factors ('weights') fall in the 0.0--1.0 range, which
makes them administratively correct.
 
# 35 # 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.
 
# 36 # 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.
 
# 37 # 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: 0
 
Temperature not mentioned in PDB file. This most likely means
that the temperature record is absent.
Room temperature assumed
 
# 38 # 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
 
# 39 # 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 :  0.819 over    8583 bonds
Average difference in B over a bond :    2.25
RMS difference in B over a bond :    4.03
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
 
# 40 # 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 identifiers: A - L
 
# 41 # Note: B-factor plot
 
 
In the TeX file, a plot has been inserted here
 
Chain identifiers: A - L
 
# 42 # Note: B-factor plot
 
 
In the TeX file, a plot has been inserted here
 
Chain identifiers: A - L
 
# 43 # Note: B-factor plot
 
 
In the TeX file, a plot has been inserted here
 
Chain identifiers: A - L
 
Content of the SOUP. See the writeup for an explanation.
 Molecule      Range              Type              Set name
     1    1 (    1)  131 (  128)A Protein           To check
     2  132 (  132)  213 (  213)A Protein           To check
     3  214 (    1)  425 (  212)B Protein           To check
     4  426 (  381)  633 (  588)R Protein           To check
     5  634 (  601)  634 (  601)R Sugar             To check
     6  635 (    1)  766 (  129)H Protein           To check
     7  767 (  132)  848 (  213)H Protein           To check
     8  849 (  381) 1056 (  588)S Protein           To check
     9 1057 (  601) 1057 (  601)S Sugar             To check
    10 1058 (    1) 1269 (  212)L Protein           To check
    11 1270 ( HOH ) 1270 ( HOH )A water   (    1)   To check
    12 1271 ( HOH ) 1271 ( HOH )B water   (    1)   To check
    13 1272 ( HOH ) 1272 ( HOH )R water   (    1)   To check
    14 1273 ( HOH ) 1273 ( HOH )H water   (    1)   To check
    15 1274 ( HOH ) 1274 ( HOH )S water   (    1)   To check
    16 1275 ( HOH ) 1275 ( HOH )L water   (    1)   To check
 
# 44 # Note: B-factor plot
A large B-factor difference was observed between individual chains. This is
not wrong or so, but it is a bit strange...
 
In the TeX file, a plot has been inserted here
 
Chain identifiers: A - L
 
# 45 # 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.
 
# 46 # Note: Valine nomenclature OK
No errors were detected in valine nomenclature.
 
# 47 # Note: Threonine nomenclature OK
No errors were detected in threonine nomenclature.
 
# 48 # Note: Isoleucine nomenclature OK
No errors were detected in isoleucine nomenclature.
 
# 49 # Note: Leucine nomenclature OK
No errors were detected in leucine nomenclature.
 
# 50 # Warning: Arginine nomenclature problem
The arginine residues listed in the table below have their NH1 and NH2
swapped.
 
   44 ARG  (  44-) A  -
  213 ARG  ( 213-) A  -
  231 ARG  (  18-) B  -
  266 ARG  (  53-) B  -
  678 ARG  (  44-) H  -
  706 ARG  (  71-) H  -
  848 ARG  ( 213-) H  -
  973 ARG  ( 505-) S  -
 1010 ARG  ( 542-) S  -
 1075 ARG  (  18-) L  -
 
# 51 # Note: Tyrosine torsion conventions OK
No errors were detected in tyrosine torsion angle conventions.
 
# 52 # Warning: Phenylalanine convention problem
The phenylalanine residues listed in the table below have their chi-2 not
between -90.0 and 90.0.
 
  430 PHE  ( 385-) R  -
 
# 53 # Note: Aspartic acid torsion conventions OK
No errors were detected in aspartic acid torsion angle conventions.
 
# 54 # Warning: Glutamic acid convention problem
The glutamic acid residues listed in the table below have their chi-3
outside the -90.0 to 90.0 range, or their proton on OE1 instead of OE2.
 
  680 GLU  (  46-) H  -
 
# 55 # 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).
 
# 56 # 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.
 
# 57 # Note: No decreasing residue numbers
All residue numbers are strictly increasing within each chain.
 
# 58 # Warning: Unusual bond lengths
The bond lengths listed in the table below were found to deviate more than 4
sigma from standard bond lengths (both standard values and sigmas for amino
acid residues have been taken from Engh and Huber [REF], for DNA they were
taken from Parkinson et al [REF]). In the table below for each unusual bond
the bond length and the number of standard deviations it differs from the
normal value is given.
 
Atom names starting with "-" belong to the previous residue in the chain. If
the second atom name is "-SG*", the disulphide bridge has a deviating length.
 
  104 ASP  ( 101-) A  -    CB   CG    1.38   -5.6
  248 TRP  (  35-) B  -    NE1  CE2   1.30   -6.2
  740 TRP  ( 103-) H  -    NE1  CE2   1.30   -6.8
 
# 59 # Warning: Low bond length variability
Bond lengths were found to deviate less than normal from the mean Engh and
Huber [REF] and/or Parkinson et al [REF] standard bond lengths. The RMS
Z-score given below is expected to be near 1.0 for a normally restrained
data set. The fact that it is lower than 0.667 in this structure might
indicate that too-strong restraints have been used in the refinement. This
can only be a problem  for high resolution X-ray structures.
 
 RMS Z-score for bond lengths: 0.596
 RMS-deviation in bond distances: 0.013
 
# 60 # Warning: Possible cell scaling problem
Comparison of bond distances with Engh and Huber [REF] standard values for
protein residues and Parkinson et al [REF] values for DNA/RNA shows a
significant systematic deviation. It could be that the unit cell used in
refinement was not accurate enough. The deformation matrix given below gives
the deviations found: the three numbers on the diagonal represent the
relative corrections needed along the A, B and C cell axis. These values are
1.000 in a normal case, but have significant deviations here (significant at
the 99.99 percent confidence level)
 
There are a number of different possible causes for the discrepancy. First
the cell used in refinement can be different from the best cell calculated.
Second, the value of the wavelength used for a synchrotron data set can be
miscalibrated. Finally, the discrepancy can be caused by a dataset that has
not been corrected for significant anisotropic thermal motion.
 
Please note that the proposed scale matrix has NOT been restrained to obey
the space group symmetry. This is done on purpose. The distortions can give
you an indication of the accuracy of the determination.
 
If you intend to use the result of this check to change the cell dimension
of your crystal, please read the extensive literature on this topic first.
This check depends on the wavelength, the cell dimensions, and on the
standard bond lengths and bond angles used by your refinement software.
 
SCALE matrix obtained from PDB file
  0.013431  0.000000  0.000000
  0.000000  0.007765  0.000000
  0.000000  0.000000  0.005852
Unit Cell deformation matrix
  1.002461  0.000252  0.000193
  0.000252  1.002749 -0.000015
  0.000193 -0.000015  1.002785
Proposed new scale matrix
  0.013399 -0.000003 -0.000003
 -0.000002  0.007743  0.000000
 -0.000001  0.000000  0.005836
With corresponding cell
    A    =  74.635  B   = 129.144  C    = 171.347
    Alpha=  90.000  Beta=  90.000  Gamma=  90.000
 
The CRYST1 cell dimensions
    A    =  74.452  B   = 128.790  C    = 170.871
    Alpha=  90.000  Beta=  90.000  Gamma=  90.000
 
 Variance: 291.481
 (Under-)estimated Z-score: 12.583
 
# 61 # 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.
 
  104 ASP  ( 101-) A  -   -C    N    CA  128.92    4.0
  104 ASP  ( 101-) A  -    N    CA   CB  103.11   -4.3
  104 ASP  ( 101-) A  -    C    CA   CB   96.75   -7.0
  706 ARG  (  71-) H  -    CG   CD   NE  117.56    4.2
  734 GLY  (  96-) H  -    N    CA   C   124.59    4.2
  738 ASP  ( 101-) H  -   -C    N    CA  132.48    6.0
  784 PRO  ( 149-) H  -   -C    N    CD   98.09   -6.6
 1051 SER  ( 583-) S  -   -C    N    CA  129.33    4.2
 1107 TYR  (  50-) L  -    C    CA   CB  118.60    4.5
 
# 62 # Warning: Low bond angle variability
Bond angles were found to deviate less than normal from the 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. The fact that
it is lower than 0.667 in this structure might indicate that too-strong
restraints have been used in the refinement. This can only be a problem for
high resolution X-ray structures.
 
 RMS Z-score for bond angles: 0.586
 RMS-deviation in bond angles: 1.255
 
# 63 # Error: Nomenclature error(s)
Checking for a hand-check. WHAT CHECK has over the course of this session
already corrected the handedness of atoms in several residues. These were
administrative corrections. These residues are listed here.
 
   44 ARG  (  44-) A  -
  213 ARG  ( 213-) A  -
  231 ARG  (  18-) B  -
  266 ARG  (  53-) B  -
  678 ARG  (  44-) H  -
  680 GLU  (  46-) H  -
  706 ARG  (  71-) H  -
  848 ARG  ( 213-) H  -
  973 ARG  ( 505-) S  -
 1010 ARG  ( 542-) S  -
 1075 ARG  (  18-) L  -
 
# 64 # Warning: Chirality deviations detected
The atoms listed in the table below have an improper dihedral value that is
deviating from expected values. As the improper dihedral values are all
getting very close to ideal values in recent X-ray structures, and as we
actually do not know how big the spread around these values should be, this
check only warns for 6 sigma deviations.
 
Improper dihedrals are a measure of the chirality/planarity of the structure
at a specific atom. Values around -35 or +35 are expected for chiral atoms,
and values around 0 for planar atoms. Planar side chains are left out of the
calculations, these are better handled by the planarity checks.
 
Three numbers are given for each atom in the table. The first is the Z-score
for the improper dihedral. The second number is the measured improper
dihedral. The third number is the expected value for this atom type. A final
column contains an extra warning if the chirality for an atom is opposite
to the expected value.
 
Please also see the previous table that lists a series of administrative
chirality problems that were corrected automatically upon reading-in the
PDB file.
 
  104 ASP  ( 101-) A  -    CA     8.2    48.09    33.79
  783 GLU  ( 148-) H  -    C     -7.1   -10.01     0.04
  784 PRO  ( 149-) H  -    N    -10.1   -39.13    -2.64
 1105 ILE  (  48-) L  -    CB     6.3    40.31    32.38
The average deviation= 0.754
 
# 65 # 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 : 0.730
 
# 66 # Note: Tau angles OK
All of the tau angles (N-C-alpha-C) of amino acids fall within expected
RMS deviations.
 
# 67 # 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 : 0.775
 
# 68 # Note: Side chain planarity OK
All of the side chains of residues that have an intact planar group are
planar within expected RMS deviations.
 
# 69 # 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.
 
# 70 # 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 : -2.591
 
# 71 # 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.
 
# 72 # 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.
 
  149 PRO  ( 149-) A  -   -3.0
  782 PRO  ( 147-) H  -   -2.9
  784 PRO  ( 149-) H  -   -2.8
  147 PRO  ( 147-) A  -   -2.8
  891 PHE  ( 423-) S  -   -2.6
  807 SER  ( 172-) H  -   -2.6
 1201 ILE  ( 144-) L  -   -2.5
  172 SER  ( 172-) A  -   -2.5
  706 ARG  (  71-) H  -   -2.5
  843 LYS  ( 208-) H  -   -2.4
  637 LYS  (   3-) H  -   -2.4
  973 ARG  ( 505-) S  -   -2.4
  189 PRO  ( 189-) A  -   -2.4
  578 THR  ( 533-) R  -   -2.4
 1110 ARG  (  53-) L  -   -2.3
And so on for a total of    44 lines.
 
# 73 # 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
   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
   77 ASN  (  76-) A  - Poor phi/psi
   99 ASP  (  95-) A  - omega poor
  100 GLY  (  96-) A  - Poor phi/psi
  109 GLY  ( 106-) A  - Poor phi/psi
  121 ALA  ( 118-) A  - Omega to (next) Pro poor
And so on for a total of   154 lines.
 
# 74 # 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  -    -1.31
  228 LEU  (  15-) B  -    -1.32
  246 LEU  (  33-) B  -    -1.31
  319 LEU  ( 106-) B  -    -1.31
  349 LEU  ( 136-) B  -    -1.31
  433 LEU  ( 388-) R  -    -1.31
  486 LEU  ( 441-) R  -    -1.31
  495 LEU  ( 450-) R  -    -1.32
  501 LEU  ( 456-) R  -    -1.31
  533 LEU  ( 488-) R  -    -1.31
  540 LEU  ( 495-) R  -    -1.31
  552 LEU  ( 507-) R  -    -1.31
  812 LEU  ( 177-) H  -    -1.32
  856 LEU  ( 388-) S  -    -1.31
And so on for a total of   591 lines.
 
# 75 # Error: chi-1/chi-2 angle correlation Z-score very low
The score expressing how well the chi-1/chi-2 angles of all residues
correspond to the populated areas in the database is
very low.
 
 chi-1/chi-2 correlation Z-score : -4.260
 
# 76 # 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.
 
 1011 LYS  ( 543-) S  -   0.34
  225 SER  (  12-) B  -   0.35
  588 LYS  ( 543-) R  -   0.35
  412 LYS  ( 199-) B  -   0.35
 1256 LYS  ( 199-) L  -   0.36
  573 SER  ( 528-) R  -   0.36
 1069 SER  (  12-) L  -   0.36
  873 THR  ( 405-) S  -   0.36
  966 SER  ( 498-) S  -   0.38
  548 CYS  ( 503-) R  -   0.39
  482 CYS  ( 437-) R  -   0.39
  344 SER  ( 131-) B  -   0.39
  996 SER  ( 528-) S  -   0.39
  971 CYS  ( 503-) S  -   0.39
 
# 77 # 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!
 
  101 ASN  (  97-) A  -       0
  264 THR  (  51-) B  -       0
  513 ASN  ( 468-) R  -       0
  733 ASP  (  95-) H  -       0
  734 GLY  (  96-) H  -       0
  735 ASN  (  97-) H  -       0
  738 ASP  ( 101-) H  -       0
  936 ASN  ( 468-) S  -       0
  978 ASP  ( 510-) S  -       0
 1047 THR  ( 579-) S  -       0
 1048 ASP  ( 580-) S  -       0
 1108 THR  (  51-) L  -       0
   99 ASP  (  95-) A  -       1
  188 TRP  ( 188-) A  -       1
  263 TYR  (  50-) B  -       1
And so on for a total of    33 lines.
 
# 78 # 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 : -0.174
 
# 79 # 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= 179.120 5.156
 
# 80 # 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]
 
  576 PRO  ( 531-) R  -   0.19 LOW
  999 PRO  ( 531-) S  -   0.19 LOW
 
# 81 # 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].
 
  147 PRO  ( 147-) A  -  -63.5 envelop C-beta (-72 degrees)
  149 PRO  ( 149-) A  -  -51.9 half-chair C-beta/C-alpha (-54 degrees)
  200 PRO  ( 200-) A  - -115.4 envelop C-gamma (-108 degrees)
  272 PRO  (  59-) B  - -116.6 envelop C-gamma (-108 degrees)
  308 PRO  (  95-) B  -  -51.1 half-chair C-beta/C-alpha (-54 degrees)
  675 PRO  (  41-) H  -  114.9 envelop C-beta (108 degrees)
  782 PRO  ( 147-) H  -  -64.5 envelop C-beta (-72 degrees)
  835 PRO  ( 200-) H  - -115.9 envelop C-gamma (-108 degrees)
  898 PRO  ( 430-) S  -  129.0 half-chair C-beta/C-alpha (126 degrees)
  953 PRO  ( 485-) S  -    8.6 envelop N (0 degrees)
 1116 PRO  (  59-) L  - -115.4 envelop C-gamma (-108 degrees)
 1152 PRO  (  95-) L  -  -52.6 half-chair C-beta/C-alpha (-54 degrees)
 
# 82 # 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!
 
  596 GLY  ( 551-) R  -  2.90   12
 1019 GLY  ( 551-) S  -  2.86   11
 1125 GLY  (  68-) L  -  1.69   35
  281 GLY  (  68-) B  -  1.55   38
 
# 83 # 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.
 
  927 SER  ( 459-) S  - TT+   Highly likely
 1050 ASN  ( 582-) S  - TT+   Highly likely
  383 ASP  ( 170-) B  - TT+   Likely
  472 GLN  ( 427-) R  - TT+   Likely
  480 SER  ( 435-) R  - TT+   Likely
  504 SER  ( 459-) R  - TT+   Likely
  533 LEU  ( 488-) R  - TT+   Likely
  566 ASN  ( 521-) R  - TT+   Likely
  627 ASN  ( 582-) R  - TT+   Likely
  711 ASN  (  76-) H  - TT+   Likely
  808 ASP  ( 173-) H  - TT+   Likely
  935 PHE  ( 467-) S  - TT+   Likely
 1048 ASP  ( 580-) S  - TT+   Likely
 
# 84 # 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.
 
  878 ASN  ( 410-) S  -    ND2 <-->  1057 NAG  ( 601-) S  -    C1     1.71    1.39  INTRA BF
  455 ASN  ( 410-) R  -    ND2 <-->   634 NAG  ( 601-) R  -    C1     1.67    1.43  INTRA BF
  428 CYS  ( 383-) R  -    SG  <-->   452 CYS  ( 407-) R  -    CB     1.02    2.38  INTRA BF
  632 LYS  ( 587-) R  -    CE  <-->   634 NAG  ( 601-) R  -    O6     0.91    1.89  INTRA BF
  428 CYS  ( 383-) R  -    SG  <-->   452 CYS  ( 407-) R  -    SG     0.89    1.06  INTRA BF
  880 THR  ( 412-) S  -    O   <-->   884 SER  ( 416-) S  -    OG     0.78    1.62  INTRA BF
 1090 LEU  (  33-) L  -    CD2 <-->  1128 TYR  (  71-) L  -    CB     0.78    2.42  INTRA BL
  128 ALA  ( 125-) A  -    O   <-->   213 ARG  ( 213-) A  -    NH1    0.73    1.97  INTRA BL
  455 ASN  ( 410-) R  -    ND2 <-->   634 NAG  ( 601-) R  -    O5     0.69    2.01  INTRA BF
  878 ASN  ( 410-) S  -    ND2 <-->  1057 NAG  ( 601-) S  -    O5     0.69    2.01  INTRA BF
 1090 LEU  (  33-) L  -    CD2 <-->  1128 TYR  (  71-) L  -    CG     0.68    2.52  INTRA BL
  428 CYS  ( 383-) R  -    CB  <-->   452 CYS  ( 407-) R  -    SG     0.60    2.80  INTRA BF
  455 ASN  ( 410-) R  -    CG  <-->   634 NAG  ( 601-) R  -    C1     0.58    2.62  INTRA BF
  878 ASN  ( 410-) S  -    CG  <-->  1057 NAG  ( 601-) S  -    C1     0.54    2.66  INTRA BF
  266 ARG  (  53-) B  -    NH2 <-->   594 GLU  ( 549-) R  -    OE2    0.46    2.24  INTRA BF
And so on for a total of   127 lines.
 
# 85 # 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: 24.853
Total bump value per residue: 0.100
Total number of bumps: 127
Total squared bump value: 15.344
Total number of bumps in the mildest bin: 100
Total number of bumps in the second bin: 13
Total number of bumps in the middle bin: 7
Total number of bumps in the fourth bin: 4
Total number of bumps in the worst bin: 3
 
# 86 # 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.
 
# 87 # 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 : 0.983
 
# 88 # 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
 
# 89 # Note: Inside/Outside RMS Z-score plot
 
 
In the TeX file, a plot has been inserted here
 
Chain identifier: B
 
# 90 # Note: Inside/Outside RMS Z-score plot
 
 
In the TeX file, a plot has been inserted here
 
Chain identifier: H
 
# 91 # Note: Inside/Outside RMS Z-score plot
 
 
In the TeX file, a plot has been inserted here
 
Chain identifier: L
 
# 92 # 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  -  -8.11
  320 ARG  ( 107-) B  -  -7.03
 1164 ARG  ( 107-) L  -  -7.02
 1045 TYR  ( 577-) S  -  -6.67
  540 LEU  ( 495-) R  -  -6.32
  424 ARG  ( 211-) B  -  -6.30
  108 GLN  ( 105-) A  -  -6.19
 1268 ARG  ( 211-) L  -  -6.14
 1016 LEU  ( 548-) S  -  -6.13
  895 GLN  ( 427-) S  -  -6.00
  593 LEU  ( 548-) R  -  -5.97
  963 LEU  ( 495-) S  -  -5.93
  742 GLN  ( 105-) H  -  -5.91
  307 LEU  (  94-) B  -  -5.88
  765 CYS  ( 128-) H  -  -5.86
 1151 LEU  (  94-) L  -  -5.80
  472 GLN  ( 427-) R  -  -5.79
  369 GLN  ( 156-) B  -  -5.57
  401 ARG  ( 188-) B  -  -5.45
 1055 LYS  ( 587-) S  -  -5.44
 1213 GLN  ( 156-) L  -  -5.37
  632 LYS  ( 587-) R  -  -5.29
  954 HIS  ( 486-) S  -  -5.14
  148 GLU  ( 148-) A  -  -5.14
 
# 93 # 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.
 
# 94 # Note: Structural average packing environment OK
The structural average packing score is within normal ranges.
 
 
Average for range     1 - 1269 :  -0.340
 
# 95 # 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
 
# 96 # 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
 
# 97 # 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
 
# 98 # 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
 
# 99 # 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.
 
  997 ILE  ( 529-) S  -  -2.53
 
# 100 # Note: No series of residues with abnormal new packing environment
There are no stretches of four or more residues each having a packing
Z-score worse than -1.75.
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
 
# 101 # 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
 
# 102 # Note: Second generation quality Z-score plot
 
 
In the TeX file, a plot has been inserted here
 
Chain identifier: B
 
# 103 # Note: Second generation quality Z-score plot
 
 
In the TeX file, a plot has been inserted here
 
Chain identifier: H
 
# 104 # Note: Second generation quality Z-score plot
 
 
In the TeX file, a plot has been inserted here
 
Chain identifier: L
 
# 105 # 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.
 
# 106 # Note: Water contacts OK
All water clusters make at least one contact with a non-water atom.
 
# 107 # Note: No waters need moving
All water molecules are sufficiently close to the asymmetric unit given in
the input file.
 
# 108 # Error: Water molecules without hydrogen bonds
The water molecules listed in the table below do not form any hydrogen bonds,
neither with the protein or DNA/RNA, nor with other water molecules. This is
a strong indication of a refinement problem.
 
 1272 HOH  ( 701 ) R  -    O
 
# 109 # 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.
 
  244 ASN  (  31-) B  -
  268 HIS  (  55-) B  -
  423 ASN  ( 210-) B  -
  472 GLN  ( 427-) R  -
  520 ASN  ( 475-) R  -
  627 ASN  ( 582-) R  -
  711 ASN  (  76-) H  -
  863 GLN  ( 395-) S  -
  934 GLN  ( 466-) S  -
  943 ASN  ( 475-) S  -
  954 HIS  ( 486-) S  -
 1050 ASN  ( 582-) S  -
 1094 GLN  (  37-) L  -
 1146 GLN  (  89-) L  -
 1194 ASN  ( 137-) L  -
 1269 ASN  ( 212-) L  -
 
# 110 # 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-H   0.17 HIS-E   0.62
  199 HIS  ( 199-) A  -   HIS-H   0.33 HIS-E   0.56
  268 HIS  (  55-) B  -   HIS-H   0.31 HIS-D   0.70
  402 HIS  ( 189-) B  -   HIS-H   0.05 HIS-D   0.56
  411 HIS  ( 198-) B  -   HIS-H   0.05 HIS-E   0.57
  531 HIS  ( 486-) R  -   HIS-H   0.08 HIS-E   0.58
  799 HIS  ( 164-) H  -   HIS-H   0.11 HIS-E   0.60
  834 HIS  ( 199-) H  -   HIS-H   0.24 HIS-E   0.58
  954 HIS  ( 486-) S  -   HIS-E   1.71
 1112 HIS  (  55-) L  -   HIS-E   2.57
 1246 HIS  ( 189-) L  -   HIS-H   0.08 HIS-E   0.60
 1255 HIS  ( 198-) L  -   HIS-H   0.15 HIS-E   0.60
 
# 111 # 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
   98 ARG  (  94-) A  -    NE
  105 TYR  ( 102-) A  -    N
  130 VAL  ( 127-) A  -    N
  148 GLU  ( 148-) A  -    N
  150 VAL  ( 150-) A  -    N
  180 SER  ( 180-) A  -    OG
  213 ARG  ( 213-) A  -    NH1
  240 GLN  (  27-) B  -    N
  274 ARG  (  61-) B  -    NH1
  293 GLN  (  80-) B  -    NE2
  334 SER  ( 121-) B  -    OG
  355 LYS  ( 142-) B  -    N
  356 ASP  ( 143-) B  -    N
  387 SER  ( 174-) B  -    OG
And so on for a total of    67 lines.
 
# 112 # 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.
 
  350 ASN  ( 137-) B  -    OD1
 
# 113 # 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: 1900
- of which buried: 828
Total number of acceptors: 2031
- of which buried: 694
Total number of donor+acceptors: 382
  (e.g. the Ser Ogamma that can donate and accept)
- of which buried: 60
Buried donors: 828
- without H-bond: 61
- essentially without H-bond: 0
- with only a very poor H-bond: 4
- with a poor H-bond: 18
- with a H-bond: 745
Buried acceptors: 694
- without H-bond: 103
- essentially without H-bond: 0
- with only a very poor H-bond: 0
- with a poor H-bond: 5
- with a H-bond: 586
 
# 114 # 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             To check
     2   132 (  132)   213 (  213) A Protein             To check
     3   214 (    1)   425 (  212) B Protein             To check
     4   426 (  381)   633 (  588) R Protein             To check
     5   634 (  601)   634 (  601) R Sugar               To check
     6   635 (    1)   766 (  129) H Protein             To check
     7   767 (  132)   848 (  213) H Protein             To check
     8   849 (  381)  1056 (  588) S Protein             To check
     9  1057 (  601)  1057 (  601) S Sugar               To check
    10  1058 (    1)  1269 (  212) L Protein             To check
    11  1270 ( HOH )  1270 ( HOH ) S water   (    1)     To check
    12  1271 ( HOH )  1271 ( HOH ) H water   (    1)     To check
    13  1272 ( HOH )  1272 ( HOH ) R water   (    1)     To check
    14  1273 ( HOH )  1273 ( HOH ) B water   (    1)     To check
    15  1274 ( HOH )  1274 ( HOH ) A water   (    1)     To check
 
# 115 # 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 :   0.399 (          (  -0.5,  2.5))
  2nd generation packing quality :   0.578 (          (  -1.5,  1.2))
  Ramachandran plot appearance   :  -2.591 (          (  -2.7,  1.6))
  chi-1/chi-2 rotamer normality  :  -4.260 (bad       (  -4.5,  1.7))
  Backbone conformation          :  -0.174 (          (  -0.8,  3.7))
  Inside/Outside distribution    :   0.983
 
 RMS Z-scores, should be close to 1.0:
  Bond lengths                   :   0.596 (tight)
  Bond angles                    :   0.586 (tight)
  Omega angle restraints         :   0.937
  Side chain planarity           :   0.444 (tight)
  Improper dihedral distribution :   0.730
  B-factor distribution          :   0.819
 
# 116 # 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.
 
# 117 # 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.
 
# 118 # Note: Cell parameter anomaly
WHAT CHECK has compared the observed bond lengths with the Engh and Huber
parameters, and has done this as function of the direction of the bond
relative to the cell axes. From this analysis it was concluded that the
cell dimensions are probably not entirely perfect. The problem is not very
big, so you do not need to fix this before you start dealing with the other
suggestions, but you better fix this.
 
If this problem is caused by refining with another set of target values
than the Engh and Huber values, then WHAT CHECK cannot help you because
systematic target value deviations can also cause this message to pop up.
 
# 119 # 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.
 
# 120 # 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.
 
# 121 # Note: Free floating waters
Your structure contains a few water molecules that make no hydrogen bonds at
all. These waters must be removed, and you must then refine a bit further
before running WHAT CHECK again.
 
# 122 # 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.
 
  213 ARG  ( 213-) A  -     30.22
 1128 TYR  (  71-) L  -     27.27
 1090 LEU  (  33-) L  -     26.35
  104 ASP  ( 101-) A  -     19.14
  848 ARG  ( 213-) H  -     17.22
 1268 ARG  ( 211-) L  -     16.94
  622 TYR  ( 577-) R  -     16.22
  633 LEU  ( 588-) R  -     14.68
 1056 LEU  ( 588-) S  -     14.66
 1164 ARG  ( 107-) L  -     14.47
  320 ARG  ( 107-) B  -     14.06
  472 GLN  ( 427-) R  -     13.87
  401 ARG  ( 188-) B  -     13.38
 1045 TYR  ( 577-) S  -     13.34
 1269 ASN  ( 212-) L  -     13.08
And so on for a total of   111 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.
