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

Date : 2025-03-10
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/2wii/wctemp_0cyc/2wii_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                                                        2WII
ATOM  *****  O1  GOL A1644       7.039 -35.069 -26.632  1.00 81.22       O1  O
ATOM  *****  C2  GOL A1644       7.917 -37.294 -26.805  1.00 86.56       C2  C
ATOM  *****  O2  GOL A1644       7.207 -37.704 -25.658  1.00 90.24       O2  O
ATOM  *****  C3  GOL A1644       9.214 -38.087 -26.909  1.00 75.80       C3  C
ATOM  *****  O3  GOL A1644       9.119 -39.250 -26.118  1.00 73.05       O3  O
ATOM  *****  O1  GOL A1645      26.438 -19.212 -50.274  1.00116.97       O1  O
ATOM  *****  C2  GOL A1645      25.317 -19.171 -52.392  1.00123.21       C2  C
ATOM  *****  O2  GOL A1645      25.152 -17.774 -52.299  1.00125.89       O2  O
ATOM  *****  C3  GOL A1645      25.466 -19.568 -53.856  1.00121.37       C3  C
ATOM  *****  O3  GOL A1645      24.229 -20.039 -54.342  1.00116.89       O3  O
ATOM  *****  O1  GOL A1646       1.956  -3.772 -66.477  1.00 76.75       O1  O
ATOM  *****  C2  GOL A1646       3.919  -2.463 -66.883  1.00 74.45       C2  C
ATOM  *****  O2  GOL A1646       3.816  -1.852 -65.616  1.00 76.91       O2  O
ATOM  *****  C3  GOL A1646       5.387  -2.554 -67.279  1.00 66.22       C3  C
ATOM  *****  O3  GOL A1646       6.192  -2.209 -66.174  1.00 61.43       O3  O
ATOM  *****  O   HOH A2002      16.488 -26.245 -43.302  1.00 35.10      2002 O
ATOM  *****  O   HOH A2003      10.203 -42.268 -49.120  1.00 47.27      2003 O
ATOM  *****  O   HOH A2004       3.734 -34.513 -49.290  1.00 51.80      2004 O
ATOM  *****  O   HOH A2005      23.381 -25.876 -53.702  1.00 33.50      2005 O
ATOM  *****  O   HOH A2006      24.078 -29.276 -58.743  1.00 29.20      2006 O
ATOM  *****  O   HOH A2007      27.809 -31.118 -43.331  1.00 43.27      2007 O
ATOM  *****  O   HOH A2008      25.903 -29.110 -39.369  1.00 57.37      2008 O
ATOM  *****  O   HOH A2009      15.788 -19.820 -14.127  1.00 54.16      2009 O
ATOM  *****  O   HOH A2010      19.278 -20.430 -17.078  1.00 48.89      2010 O
ATOM  *****  O   HOH A2011      24.627 -22.040  -3.773  1.00 44.12      2011 O
ATOM  *****  O   HOH A2012      25.154 -34.092 -14.562  1.00 59.46      2012 O
ATOM  *****  O   HOH A2013      11.398 -35.635 -34.793  1.00 48.21      2013 O
ATOM  *****  O   HOH A2014      31.969 -38.176 -15.804  1.00 30.69      2014 O
ATOM  *****  O   HOH A2015      16.848 -41.322 -27.269  1.00 45.75      2015 O
ATOM  *****  O   HOH A2016      31.128 -33.555  -8.216  1.00 53.94      2016 O
ATOM  *****  O   HOH A2017      26.331 -35.076  -9.170  1.00 38.31      2017 O
ATOM  *****  O   HOH A2018      24.168 -22.826 -30.659  1.00 47.57      2018 O
ATOM  *****  O   HOH A2019      23.301 -30.806 -31.176  1.00 28.25      2019 O
ATOM  *****  O   HOH A2020      23.908 -21.728 -26.272  1.00 55.57      2020 O
ATOM  *****  O   HOH A2021      21.064 -22.259 -23.739  1.00 49.31      2021 O
ATOM  *****  O   HOH A2022      14.131   4.510 -23.793  1.00 50.97      2022 O
ATOM  *****  O   HOH A2023      30.060  21.979 -24.275  1.00 51.13      2023 O
ATOM  *****  O   HOH A2024      10.809  -5.587  -4.015  1.00 47.48      2024 O
ATOM  *****  O   HOH A2025      42.744  17.256 -19.345  1.00 48.38      2025 O
ATOM  *****  O   HOH A2026      38.314  11.997 -32.217  1.00 47.43      2026 O
ATOM  *****  O   HOH A2027      36.501   3.986 -28.647  1.00 46.09      2027 O
ATOM  *****  O   HOH A2028      25.091   0.111 -22.705  1.00 51.43      2028 O
ATOM  *****  O   HOH A2029      24.745   7.009 -30.162  1.00 52.55      2029 O
ATOM  *****  O   HOH A2030      27.519   1.030 -30.749  1.00 42.01      2030 O
ATOM  *****  O   HOH A2031      24.137   6.561 -36.440  1.00 42.62      2031 O
ATOM  *****  O   HOH A2032      25.327  -1.381 -38.019  1.00 41.79      2032 O
ATOM  *****  O   HOH A2033      24.213  -0.526 -41.025  1.00 38.58      2033 O
ATOM  *****  O   HOH A2034      20.670  -7.442 -49.793  1.00 47.86      2034 O
ATOM  *****  O   HOH A2035      17.980   8.102 -26.651  1.00 58.95      2035 O
ATOM  *****  O   HOH A2036       5.633   7.138 -40.129  1.00 27.67      2036 O
ATOM  *****  O   HOH A2037      21.190   5.310 -59.497  1.00 76.20      2037 O
ATOM  *****  O   HOH A2038      24.850  10.135 -49.878  1.00 47.30      2038 O
ATOM  *****  O   HOH A2039      25.527   9.786 -36.128  1.00 42.59      2039 O
ATOM  *****  O   HOH A2040      26.887   9.740 -42.710  1.00 42.53      2040 O
ATOM  *****  O   HOH A2041      27.902   6.069 -42.820  1.00 44.10      2041 O
ATOM  *****  O   HOH A2042      16.858 -11.762 -63.745  1.00 55.37      2042 O
ATOM  *****  O   HOH A2043      13.938  -7.988 -59.650  1.00 36.74      2043 O
ATOM  *****  O   HOH A2044      10.170  -3.723 -49.832  1.00 46.41      2044 O
ATOM  *****  O   HOH A2045       7.061  -0.035 -62.945  1.00 39.42      2045 O
ATOM  *****  O   HOH A2046       2.362  -7.639 -74.247  1.00 44.09      2046 O
ATOM  *****  O   HOH A2047      -3.968 -15.496 -56.739  1.00 43.58      2047 O
ATOM  *****  O   HOH A2048      -5.651  -9.550 -60.299  1.00 51.56      2048 O
ATOM  *****  O   HOH A2049       2.538   1.869 -61.164  1.00 36.49      2049 O
ATOM  *****  O   HOH A2050      -5.822 -11.325 -54.455  1.00 49.64      2050 O
ATOM  *****  O   HOH A2051      -2.651 -16.517 -46.407  1.00 33.44      2051 O
ATOM  *****  O   HOH A2052      17.924  -9.956 -41.641  1.00 45.48      2052 O
ATOM  *****  O   HOH A2053      15.687 -10.078 -65.534  1.00 49.92      2053 O
ATOM  *****  O   HOH A2054      14.291 -12.200 -32.377  1.00 42.93      2054 O
ATOM  *****  O   HOH A2055       9.935  -8.320 -31.714  1.00 34.04      2055 O
ATOM  *****  O   HOH A2056       3.435 -12.601 -31.750  1.00 60.91      2056 O
ATOM  *****  O   HOH A2057      -2.075 -19.387 -28.896  1.00 73.31      2057 O
ATOM  *****  O   HOH A2058       0.210 -15.072 -28.150  1.00 61.05      2058 O
ATOM  *****  O   HOH A2059      -2.721 -18.657 -26.086  1.00 54.92      2059 O
ATOM  *****  O   HOH A2060       3.745 -14.077 -18.537  1.00 34.03      2060 O
ATOM  *****  O   HOH A2061      -0.226 -21.490   6.458  1.00 55.54      2061 O
ATOM  *****  O   HOH A2062       9.750 -32.942 -16.750  1.00 53.85      2062 O
ATOM  *****  O   HOH A2063      25.032  -9.611 -12.903  1.00 44.29      2063 O
ATOM  *****  O   HOH A2064      21.831 -16.707 -29.043  1.00 50.50      2064 O
ATOM  *****  O   HOH A2065      16.763 -12.483 -48.462  1.00 39.13      2065 O
ATOM  *****  O   HOH A2066      24.388 -10.969 -50.670  1.00 44.16      2066 O
ATOM  *****  O   HOH A2067      24.035 -18.999 -60.782  1.00 32.07      2067 O
ATOM  *****  O   HOH A2068      21.889 -23.496 -54.452  1.00 84.43      2068 O
ATOM  *****  O   HOH A2069      30.494 -21.055 -43.199  1.00 92.88      2069 O
ATOM  *****  O   HOH A2070      23.236 -20.276 -42.333  1.00 44.43      2070 O
ATOM  *****  O   HOH A2071      23.457 -23.837 -40.901  1.00 44.23      2071 O
ATOM  *****  O   HOH A2072      23.461 -20.806 -39.496  1.00 60.04      2072 O
ATOM  *****  O   HOH A2073      30.727 -17.984 -43.529  1.00 56.05      2073 O
ATOM  *****  O   HOH A2074      24.196 -17.877 -49.157  1.00 46.76      2074 O
ATOM  *****  O1  GOL B2642      14.638 -16.897  23.450  1.00 79.68       O1  O
ATOM  *****  C2  GOL B2642      13.687 -15.525  25.166  1.00 79.91       C2  C
ATOM  *****  O2  GOL B2642      13.259 -14.213  25.452  1.00 82.85       O2  O
ATOM  *****  C3  GOL B2642      12.525 -16.489  25.369  1.00 76.72       C3  C
ATOM  *****  O3  GOL B2642      11.327 -15.756  25.490  1.00 68.15       O3  O
ATOM  *****  O1  GOL B2643       7.714 -25.462   0.363  1.00 74.84       O1  O
ATOM  *****  C2  GOL B2643       6.836 -26.535  -1.596  1.00 67.60       C2  C
ATOM  *****  O2  GOL B2643       5.503 -26.282  -1.211  1.00 44.40       O2  O
ATOM  *****  C3  GOL B2643       6.895 -27.824  -2.408  1.00 77.08       C3  C
ATOM  *****  O3  GOL B2643       7.414 -28.864  -1.608  1.00 77.09       O3  O
ATOM  *****  O1  GOL B2644      45.882 -33.412  33.943  1.00 61.42       O1  O
ATOM  *****  C2  GOL B2644      46.222 -32.127  35.936  1.00 73.94       C2  C
ATOM  *****  O2  GOL B2644      45.725 -33.113  36.813  1.00 79.84       O2  O
ATOM  *****  C3  GOL B2644      47.251 -31.267  36.662  1.00 73.53       C3  C
ATOM  *****  O3  GOL B2644      47.641 -31.905  37.857  1.00 81.96       O3  O
ATOM  *****  O1  GOL B2645       4.759 -14.764 -21.146  1.00 94.99       O1  O
ATOM  *****  C2  GOL B2645       5.947 -13.162 -22.475  1.00 88.21       C2  C
ATOM  *****  O2  GOL B2645       7.127 -13.914 -22.308  1.00 91.20       O2  O
ATOM  *****  C3  GOL B2645       5.965 -12.488 -23.842  1.00 83.29       C3  C
ATOM  *****  O3  GOL B2645       6.871 -13.163 -24.685  1.00 72.90       O3  O
ATOM  *****  O1  GOL B2646      39.985 -31.151   3.327  1.00 91.54       O1  O
ATOM  *****  C2  GOL B2646      41.078 -29.208   2.448  1.00101.40       C2  C
ATOM  *****  O2  GOL B2646      42.013 -29.198   3.504  1.00110.11       O2  O
ATOM  *****  C3  GOL B2646      40.833 -27.779   1.977  1.00100.20       C3  C
ATOM  *****  O3  GOL B2646      41.923 -26.967   2.352  1.00 99.35       O3  O
ATOM  *****  O1  GOL B2647      19.833 -22.974  -3.232  1.00 63.46       O1  O
ATOM  *****  C2  GOL B2647      21.449 -22.533  -1.512  1.00 80.74       C2  C
ATOM  *****  O2  GOL B2647      20.568 -22.966  -0.500  1.00 79.91       O2  O
ATOM  *****  C3  GOL B2647      22.883 -22.827  -1.089  1.00 80.55       C3  C
ATOM  *****  O3  GOL B2647      23.504 -21.638  -0.656  1.00 74.22       O3  O
ATOM  *****  O1  GOL B2648      44.772 -54.255 -46.478  1.00104.46       O1  O
ATOM  *****  C2  GOL B2648      44.375 -52.501 -48.063  1.00 89.93       C2  C
ATOM  *****  O2  GOL B2648      45.448 -51.759 -47.529  1.00 95.91       O2  O
ATOM  *****  C3  GOL B2648      44.249 -52.215 -49.554  1.00 78.98       C3  C
ATOM  *****  O3  GOL B2648      45.461 -51.679 -50.034  1.00 72.70       O3  O
ATOM  *****  O1  GOL B2649      11.176 -32.249  -9.638  1.00 93.67       O1  O
ATOM  *****  C2  GOL B2649      11.335 -31.160 -11.762  1.00 85.43       C2  C
ATOM  *****  O2  GOL B2649      11.645 -29.897 -11.218  1.00 92.60       O2  O
ATOM  *****  C3  GOL B2649      11.948 -31.277 -13.151  1.00 78.34       C3  C
ATOM  *****  O3  GOL B2649      13.013 -30.361 -13.270  1.00 77.03       O3  O
ATOM  *****  O1  GOL B2650      33.910 -30.181 -68.840  1.00110.34       O1  O
ATOM  *****  C2  GOL B2650      34.791 -31.525 -70.619  1.00106.97       C2  C
ATOM  *****  O2  GOL B2650      34.440 -30.582 -71.608  1.00108.86       O2  O
ATOM  *****  C3  GOL B2650      36.030 -32.293 -71.066  1.00 95.61       C3  C
ATOM  *****  O3  GOL B2650      36.669 -31.591 -72.108  1.00 88.41       O3  O
ATOM  *****  O1  GOL B2651      45.491 -55.387 -14.495  1.00118.54       O1  O
ATOM  *****  C2  GOL B2651      45.579 -52.997 -14.656  1.00114.25       C2  C
ATOM  *****  O2  GOL B2651      46.692 -52.963 -13.790  1.00114.09       O2  O
ATOM  *****  C3  GOL B2651      45.667 -51.843 -15.648  1.00107.56       C3  C
ATOM  *****  O3  GOL B2651      44.710 -50.863 -15.315  1.00105.33       O3  O
ATOM  *****  O1  GOL B2652      63.651 -33.809  37.930  1.00103.93       O1  O
ATOM  *****  C2  GOL B2652      63.128 -35.332  39.706  1.00 97.04       C2  C
ATOM  *****  O2  GOL B2652      62.476 -36.203  38.808  1.00 94.67       O2  O
ATOM  *****  C3  GOL B2652      62.469 -35.426  41.077  1.00 88.03       C3  C
ATOM  *****  O3  GOL B2652      61.742 -36.630  41.172  1.00 80.88       O3  O
ATOM  *****  O1  GOL B2653      54.266 -56.177 -73.304  1.00 81.55       O1  O
ATOM  *****  C2  GOL B2653      52.853 -55.317 -75.037  1.00 66.88       C2  C
ATOM  *****  O2  GOL B2653      53.976 -54.755 -75.679  1.00 63.00       O2  O
ATOM  *****  C3  GOL B2653      51.629 -54.446 -75.291  1.00 72.98       C3  C
ATOM  *****  O3  GOL B2653      51.885 -53.578 -76.370  1.00 80.09       O3  O
ATOM  *****  O1  GOL B2654      52.250 -28.403 -53.466  1.00 79.95       O1  O
ATOM  *****  C2  GOL B2654      54.050 -29.803 -52.725  1.00 88.16       C2  C
ATOM  *****  O2  GOL B2654      54.774 -29.541 -53.906  1.00 98.61       O2  O
ATOM  *****  C3  GOL B2654      55.022 -30.032 -51.574  1.00 83.94       C3  C
ATOM  *****  O3  GOL B2654      55.158 -31.416 -51.343  1.00 86.32       O3  O
ATOM  *****  O   HOH B2002      15.388 -13.033   7.940  1.00 49.73      2002 O
ATOM  *****  O   HOH B2003      15.499 -28.117   3.426  1.00 26.82      2003 O
ATOM  *****  O   HOH B2004      15.702 -25.723  -1.909  1.00 34.55      2004 O
ATOM  *****  O   HOH B2005      -2.226 -27.796  -4.875  1.00 45.42      2005 O
ATOM  *****  O   HOH B2006      16.523 -16.930   0.863  1.00 48.79      2006 O
ATOM  *****  O   HOH B2007      13.461 -16.839 -11.494  1.00 45.59      2007 O
ATOM  *****  O   HOH B2008      10.992 -22.641 -14.347  1.00 29.46      2008 O
ATOM  *****  O   HOH B2009       1.647 -22.806 -21.709  1.00 42.97      2009 O
ATOM  *****  O   HOH B2010       3.939 -14.591 -15.559  1.00 43.18      2010 O
ATOM  *****  O   HOH B2011      11.119  -9.476 -12.015  1.00 46.63      2011 O
ATOM  *****  O   HOH B2012      18.023 -13.912   8.636  1.00 59.14      2012 O
ATOM  *****  O   HOH B2013      34.624 -15.635   4.348  1.00 35.35      2013 O
ATOM  *****  O   HOH B2014       1.788  -1.732  11.600  1.00 58.46      2014 O
ATOM  *****  O   HOH B2015      20.294 -22.853  25.485  1.00 50.51      2015 O
ATOM  *****  O   HOH B2016      21.428 -22.593  28.747  1.00 75.34      2016 O
ATOM  *****  O   HOH B2017      13.968 -24.081  27.675  1.00 48.69      2017 O
ATOM  *****  O   HOH B2018      13.960 -17.882  27.781  1.00 50.16      2018 O
ATOM  *****  O   HOH B2019      21.391 -20.999   6.538  1.00 40.22      2019 O
ATOM  *****  O   HOH B2020      49.551 -52.860 -23.282  1.00 61.73      2020 O
ATOM  *****  O   HOH B2021      50.099 -38.439  -2.045  1.00 51.18      2021 O
ATOM  *****  O   HOH B2022      50.086 -32.849 -51.365  1.00 44.78      2022 O
ATOM  *****  O   HOH B2023      49.118 -30.732 -53.203  1.00 60.67      2023 O
ATOM  *****  O   HOH B2024      45.956 -53.154 -80.383  1.00 43.26      2024 O
ATOM  *****  O   HOH B2025      46.245 -41.149 -70.486  1.00 33.12      2025 O
ATOM  *****  O   HOH B2026      46.755 -38.353 -51.549  1.00 26.05      2026 O
ATOM  *****  O   HOH B2027      33.092 -31.832 -65.901  1.00 43.19      2027 O
ATOM  *****  O   HOH B2028      27.119 -37.344 -59.471  1.00 42.11      2028 O
ATOM  *****  O   HOH B2029      29.053 -42.751 -77.953  1.00 65.42      2029 O
ATOM  *****  O   HOH B2030      47.336 -51.931 -88.707  1.00 39.65      2030 O
ATOM  *****  O   HOH B2031      36.569 -52.706 -57.724  1.00 41.48      2031 O
ATOM  *****  O   HOH B2032      28.935 -54.342 -62.686  1.00 40.61      2032 O
ATOM  *****  O   HOH B2033      53.085 -44.059 -80.265  1.00 44.62      2033 O
ATOM  *****  O   HOH B2034      51.753 -51.507 -67.981  1.00 27.67      2034 O
ATOM  *****  O   HOH B2035      55.609 -46.342 -72.400  1.00 26.98      2035 O
ATOM  *****  O   HOH B2036      62.154 -49.659 -75.373  1.00 41.90      2036 O
ATOM  *****  O   HOH B2037      60.434 -54.299 -67.563  1.00 42.31      2037 O
ATOM  *****  O   HOH B2038      54.988 -62.090 -72.124  1.00 53.19      2038 O
ATOM  *****  O   HOH B2039      32.214 -60.842 -54.710  1.00 29.00      2039 O
ATOM  *****  O   HOH B2040      33.168 -70.037 -66.831  1.00 54.76      2040 O
ATOM  *****  O   HOH B2041      36.353 -71.326 -58.590  1.00 50.75      2041 O
ATOM  *****  O   HOH B2042      42.897 -72.038 -64.513  1.00 40.75      2042 O
ATOM  *****  O   HOH B2043      40.301 -72.085 -60.249  1.00 58.33      2043 O
ATOM  *****  O   HOH B2044      64.967 -37.886 -52.145  1.00 45.30      2044 O
ATOM  *****  O   HOH B2045      62.715 -45.431 -65.862  1.00 46.29      2045 O
ATOM  *****  O   HOH B2046      61.200 -47.443 -63.521  1.00 44.18      2046 O
ATOM  *****  O   HOH B2047      54.373 -43.923 -67.154  1.00 37.18      2047 O
ATOM  *****  O   HOH B2048      46.469 -59.897 -48.377  1.00 52.73      2048 O
ATOM  *****  O   HOH B2049      55.089 -51.394 -40.105  1.00 46.26      2049 O
ATOM  *****  O   HOH B2050      59.539 -51.362 -42.395  1.00 67.54      2050 O
ATOM  *****  O   HOH B2051      60.561 -38.467 -48.989  1.00 38.99      2051 O
ATOM  *****  O   HOH B2052      61.770 -37.496 -46.664  1.00 72.30      2052 O
ATOM  *****  O   HOH B2053      52.767 -35.193 -57.487  1.00 46.50      2053 O
ATOM  *****  O   HOH B2054      49.004 -36.626 -51.418  1.00 27.13      2054 O
ATOM  *****  O   HOH B2055      61.533 -36.966 -51.158  1.00 52.08      2055 O
ATOM  *****  O   HOH B2056      59.589 -35.741 -61.906  1.00 68.21      2056 O
ATOM  *****  O   HOH B2057      47.040 -36.296 -71.774  1.00 62.16      2057 O
ATOM  *****  O   HOH B2058      49.969 -42.504 -72.958  1.00 51.19      2058 O
ATOM  *****  O   HOH B2059      51.108 -50.257 -65.610  1.00 36.28      2059 O
ATOM  *****  O   HOH B2060      42.906 -49.553 -55.217  1.00 42.66      2060 O
ATOM  *****  O   HOH B2061      49.101 -42.632 -29.883  1.00 47.32      2061 O
ATOM  *****  O   HOH B2062      41.719 -51.844 -27.610  1.00 66.80      2062 O
ATOM  *****  O   HOH B2063      40.956 -44.674 -30.036  1.00 51.62      2063 O
ATOM  *****  O   HOH B2064      46.365 -43.684   0.470  1.00 65.59      2064 O
ATOM  *****  O   HOH B2065      38.621 -35.875 -29.332  1.00 41.79      2065 O
ATOM  *****  O   HOH B2066      35.670   6.030  36.444  1.00 56.89      2066 O
ATOM  *****  O   HOH B2067      32.636  -3.441  15.332  1.00 52.59      2067 O
ATOM  *****  O   HOH B2068      23.364  13.215   8.258  1.00 51.24      2068 O
ATOM  *****  O   HOH B2069      43.848  17.146   4.697  1.00 61.49      2069 O
ATOM  *****  O   HOH B2070      41.889  -1.318   1.912  1.00 75.43      2070 O
ATOM  *****  O   HOH B2071      40.715  -8.190  11.074  1.00 57.60      2071 O
ATOM  *****  O   HOH B2072      61.369 -46.441  38.334  1.00 48.41      2072 O
ATOM  *****  O   HOH B2073      58.094 -44.306  16.196  1.00 54.32      2073 O
ATOM  *****  O   HOH B2074      61.371 -49.412  16.292  1.00 48.69      2074 O
ATOM  *****  O   HOH B2075      62.849 -40.395  16.741  1.00 53.92      2075 O
ATOM  *****  O   HOH B2076      49.832 -23.337  23.910  1.00 32.84      2076 O
ATOM  *****  O   HOH B2077      55.019 -25.513  35.005  1.00 62.95      2077 O
ATOM  *****  O   HOH B2078      57.974 -34.784  17.242  1.00 41.57      2078 O
ATOM  *****  O   HOH B2079      50.485 -29.549  37.495  1.00 47.91      2079 O
ATOM  *****  O   HOH B2080      59.922 -29.346  37.403  1.00 69.39      2080 O
ATOM  *****  O   HOH B2081      46.362 -51.622 -52.692  1.00 46.52      2081 O
ATOM  *****  O1  GOL C1248      26.749 -61.913 -29.931  1.00 85.66       O1  O
ATOM  *****  C2  GOL C1248      28.265 -63.200 -31.272  1.00 84.96       C2  C
ATOM  *****  O2  GOL C1248      29.184 -62.131 -31.236  1.00 91.03       O2  O
ATOM  *****  C3  GOL C1248      29.025 -64.520 -31.330  1.00 80.01       C3  C
ATOM  *****  O3  GOL C1248      29.152 -64.932 -32.672  1.00 69.28       O3  O
ATOM  *****  O   HOH C2002      10.558 -32.427  -0.100  1.00 62.91      2002 O
ATOM  *****  O   HOH C2003       3.617 -33.943  -3.310  1.00 32.30      2003 O
ATOM  *****  O   HOH C2004      -6.758 -33.528   5.403  1.00 47.26      2004 O
ATOM  *****  O   HOH C2005       6.803 -35.247  -6.660  1.00 40.93      2005 O
ATOM  *****  O   HOH C2006      13.986 -30.068  10.200  1.00 44.06      2006 O
ATOM  *****  O   HOH C2007      35.619 -59.000 -33.100  1.00 44.64      2007 O
ATOM  *****  O   HOH C2008      27.904 -41.074 -14.735  1.00 59.30      2008 O
ATOM  *****  O   HOH C2009      21.109 -50.398  -6.635  1.00 59.38      2009 O
ATOM  *****  O   HOH C2010      15.654 -53.685 -34.017  1.00 43.38      2010 O
ATOM  *****  O   HOH C2011      19.569 -55.313 -20.967  1.00 37.72      2011 O
ATOM  *****  O   HOH C2012       6.568 -53.939 -63.574  1.00 35.24      2012 O
ATOM  *****  O   HOH C2013      30.237 -62.790 -54.898  1.00 46.41      2013 O
ATOM  *****  O   HOH C2014      32.500 -67.270 -42.309  1.00 48.39      2014 O
ATOM  *****  O   HOH C2015       8.680 -51.635 -70.149  1.00 52.63      2015 O
ATOM  *****  O   HOH C2016      15.970 -52.536 -72.537  1.00 62.21      2016 O
ATOM  *****  O   HOH C2017      22.731 -46.917 -67.394  1.00 58.79      2017 O
ATOM  *****  C2  BMA D   3      -6.017 -25.673 -43.286  1.00159.58       C2  C
ATOM  *****  C3  BMA D   3      -7.496 -25.344 -43.006  1.00162.80       C3  C
ATOM  *****  C4  BMA D   3      -8.207 -26.499 -42.299  1.00164.75       C4  C
ATOM  *****  C5  BMA D   3      -7.243 -27.656 -42.091  1.00163.73       C5  C
ATOM  *****  C6  BMA D   3      -7.880 -28.867 -41.413  1.00164.21       C6  C
ATOM  *****  O2  BMA D   3      -5.526 -24.768 -44.254  1.00159.37       O2  O
ATOM  *****  O3  BMA D   3      -8.197 -24.905 -44.166  1.00165.36       O3  O
ATOM  *****  O4  BMA D   3      -8.695 -26.058 -41.052  1.00166.57       O4  O
ATOM  *****  O5  BMA D   3      -6.745 -27.999 -43.361  1.00161.69       O5  O
ATOM  *****  O6  BMA D   3      -6.852 -29.791 -41.128  1.00163.38       O6  O
ATOM  *****  C2  BMA D   4      -6.318 -32.083 -41.714  1.00157.05       C2  C
ATOM  *****  C3  BMA D   4      -5.712 -32.815 -42.892  1.00152.60       C3  C
ATOM  *****  C4  BMA D   4      -6.771 -32.911 -43.984  1.00151.59       C4  C
ATOM  *****  C5  BMA D   4      -7.518 -31.594 -44.248  1.00156.86       C5  C
ATOM  *****  C6  BMA D   4      -8.831 -31.827 -45.004  1.00157.91       C6  C
ATOM  *****  O2  BMA D   4      -7.472 -32.756 -41.265  1.00157.65       O2  O
ATOM  *****  O3  BMA D   4      -5.308 -34.109 -42.506  1.00150.22       O3  O
ATOM  *****  O4  BMA D   4      -6.151 -33.334 -45.179  1.00144.87       O4  O
ATOM  *****  O5  BMA D   4      -7.813 -30.878 -43.058  1.00158.88       O5  O
ATOM  *****  O6  BMA D   4      -8.670 -32.706 -46.102  1.00155.89       O6  O
ATOM  *****  C2  BMA D   5     -10.536 -34.159 -45.387  1.00143.70       C2  C
ATOM  *****  C3  BMA D   5     -10.725 -35.454 -44.616  1.00144.69       C3  C
ATOM  *****  C4  BMA D   5     -10.161 -36.613 -45.437  1.00147.44       C4  C
ATOM  *****  C5  BMA D   5      -8.759 -36.316 -45.975  1.00145.61       C5  C
ATOM  *****  C6  BMA D   5      -8.281 -37.428 -46.901  1.00138.04       C6  C
ATOM  *****  O2  BMA D   5     -11.315 -34.182 -46.562  1.00136.33       O2  O
ATOM  *****  O3  BMA D   5     -12.097 -35.671 -44.376  1.00140.24       O3  O
ATOM  *****  O4  BMA D   5     -10.118 -37.775 -44.639  1.00148.23       O4  O
ATOM  *****  O5  BMA D   5      -8.738 -35.076 -46.655  1.00148.75       O5  O
ATOM  *****  O6  BMA D   5      -9.125 -37.498 -48.028  1.00134.43       O6  O
ATOM  *****  C2  BMA D   6      -9.953 -26.405 -45.029  1.00158.75       C2  C
ATOM  *****  C3  BMA D   6     -10.747 -25.850 -46.204  1.00153.42       C3  C
ATOM  *****  C4  BMA D   6     -10.240 -24.467 -46.577  1.00149.08       C4  C
ATOM  *****  C5  BMA D   6      -8.769 -24.524 -46.973  1.00153.21       C5  C
ATOM  *****  C6  BMA D   6      -8.047 -23.251 -46.542  1.00147.00       C6  C
ATOM  *****  O2  BMA D   6     -10.543 -25.923 -43.843  1.00156.61       O2  O
ATOM  *****  O3  BMA D   6     -12.112 -25.777 -45.858  1.00151.19       O3  O
ATOM  *****  O4  BMA D   6     -10.996 -23.975 -47.661  1.00140.33       O4  O
ATOM  *****  O5  BMA D   6      -8.128 -25.664 -46.425  1.00162.68       O5  O
ATOM  *****  O6  BMA D   6      -6.744 -23.239 -47.081  1.00143.56       O6  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:
ERROR reading coordinate file. WHAT IF is trying to recover.
Please check your SOUP carefully after this option finished.
The line in the input file that created this problem is:
ERROR reading coordinate file. WHAT IF is trying to recover.
Please check your SOUP carefully after this option finished.
The line in the input file that created this problem is:
ERROR reading coordinate file. WHAT IF is trying to recover.
Please check your SOUP carefully after this option finished.
The line in the input file that created this problem is:
ERROR reading coordinate file. WHAT IF is trying to recover.
Please check your SOUP carefully after this option finished.
The line in the input file that created this problem is:
ERROR reading coordinate file. WHAT IF is trying to recover.
Please check your SOUP carefully after this option finished.
The line in the input file that created this problem is:
ERROR reading coordinate file. WHAT IF is trying to recover.
Please check your SOUP carefully after this option finished.
The line in the input file that created this problem is:
ERROR reading coordinate file. WHAT IF is trying to recover.
Please check your SOUP carefully after this option finished.
The line in the input file that created this problem is:
ERROR reading coordinate file. WHAT IF is trying to recover.
Please check your SOUP carefully after this option finished.
The line in the input file that created this problem is:
ERROR reading coordinate file. WHAT IF is trying to recover.
Please check your SOUP carefully after this option finished.
The line in the input file that created this problem is:
ERROR reading coordinate file. WHAT IF 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                                                        2WII
 
# 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
  0.004474  0.000000  0.000000
  0.000000  0.011772  0.000000
  0.000000  0.000000  0.007766
 
# 5 # 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 2
 Number of matrices in space group: 4
 Highest polymer chain multiplicity in structure: 1
 Highest polymer chain multiplicity according to SEQRES: 1
 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: 4
 
# 6 # 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: 200249.766
 Volume of the Unit Cell V= 2444633.8
 Space group multiplicity: 4
 No NCS symmetry matrices (MTRIX records) found in PDB file
 Matthews coefficient for observed atoms and Z is high: Vm= 12.208
 No Matthews coefficient given in REMARK 280
 Could it be that Z must be: 4
 This number is the multiplication of the spacegroup and NCS symmetry count
 Matthews coefficient for observed atoms and corrected Z: Vm= 3.052
 
# 7 # Note: Z missing on CRYST1 card
The messages above seem likely caused by the fact that Z is missing from the
CRYST1 card.
 
# 8 # 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.
 
# 9 # 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.
 
# 10 # Warning: Ligands for which a topology was generated automatically
The topology for the ligands in the table below were determined
automatically. WHAT CHECK uses a local copy of the CCP4 monomer library to
generate topology information for ligands. Be aware that automatic topology
generation is a complicated task. So, if you get messages that you fail to
understand or that you believe are wrong, and one of these ligands is
involved, then check the ligand topology entry first. This topology is either
present in the monomer library, or as a libcheck-generated file in the local
directory.
 
 1804 BMA  (   3-) D  -
 1805 BMA  (   4-) D  -
 1806 BMA  (   5-) D  -
 1807 BMA  (   6-) D  -
 
# 11 # Warning: Covalently bound ligands
The ligands in this table are covalently bound to something else. It is
already difficult to automatically generate topologies for ligands,
but when they are covalently bound to something it becomes even more
complicated to do everything right. So, if you get weird error messages
that seem related to this covalent bond, then please feel free to
ignore those, or even better, make a topology entry by hand.
 
The comment `Other ligand` indicates that the covalent bond is to another
ligand. In that case you might want to convert the two ligands into one
bigger ligand.
 
 1804 BMA  (   3-) D  -
 
# 12 # Note: No strange inter-chain connections detected
No covalent bonds have been detected between molecules with non-identical
chain identifiers.
 
# 13 # Note: No duplicate atom names in ligands
All atom names in ligands (if any) seem adequately unique.
 
# 14 # 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).
 
# 15 # 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).
 
# 16 # Warning: Groups attached to potentially hydrogen-bonding atoms
Residues were observed with groups attached to (or very near to) atoms that
potentially can form hydrogen bonds. WHAT CHECK is not very good at dealing
with such exceptional cases (Mainly because it's author is not...). So be
warned that the hydrogen-bonding related analyses of these residues
might be in error.
 
For example, an aspartic acid can be protonated on one of its delta
oxygens. This is possible because the one delta oxygen 'helps' the
other one holding that proton. However, if a delta oxygen has a group
bound to it, then it can no longer 'help' the other delta oxygen
bind the proton. However, both delta oxygens, in principle, can still
be hydrogen bond acceptors. Such problems can occur in the amino acids
Asp, Glu, and His. I have opted, for now to simply allow no hydrogen
bonds at all for any atom in any side chain that somewhere has a 'funny'
group attached to it. I know this is wrong, but there are only 12 hours
in a day.
 
 1784 NAG  (   2-) D  -    O4  bound to  1804 BMA  (   3-) D  -    C1
 
# 17 # 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.
 
# 18 # 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.
 
# 19 # Note: All residues have a complete backbone.
No residues have missing backbone atoms.
 
# 20 # Note: No C-alpha only residues
There are no residues that consist of only an alpha carbon atom.
 
# 21 # 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)   640 (  642) A Protein             /zata/tempdir/2wi...
     2   641 (  730)  1536 ( 1641) B Protein             /zata/tempdir/2wi...
     3  1537 ( 2655)  1537 ( 2655) B Sugar               /zata/tempdir/2wi...
     4  1538 (    3)  1782 (  247) C Protein             /zata/tempdir/2wi...
     5  1783 (    1)  1783 (    1) D Sugar               /zata/tempdir/2wi...
     6  1784 (    2)  1784 (    2) D Sugar<-             /zata/tempdir/2wi...
     7  1785 ( 1643)  1785 ( 1643) A  CA                 /zata/tempdir/2wi...
     8  1786 ( 1644)  1786 ( 1644) A GOL                 /zata/tempdir/2wi...
     9  1787 ( 1645)  1787 ( 1645) A GOL                 /zata/tempdir/2wi...
    10  1788 ( 1646)  1788 ( 1646) A GOL                 /zata/tempdir/2wi...
    11  1789 ( 1641)  1789 ( 1641) B N O2 <-  1536       /zata/tempdir/2wi...
    12  1790 ( 2642)  1790 ( 2642) B GOL                 /zata/tempdir/2wi...
    13  1791 ( 2643)  1791 ( 2643) B GOL                 /zata/tempdir/2wi...
    14  1792 ( 2644)  1792 ( 2644) B GOL                 /zata/tempdir/2wi...
    15  1793 ( 2645)  1793 ( 2645) B GOL                 /zata/tempdir/2wi...
And so on for a total of    32 lines.
MODELs skipped upon reading PDB file: 0
X-ray structure. No MODELs found
The total number of amino acids found is 1781
of which 373 have poor or (essentially) missing atoms
No nucleic acids observed in input file
Number of (recognized) sugars: 3
of which 2 have poor or (essentially) missing atoms
Number of water molecules: 3
Residue numbers increase monotonously OK
 
# 22 # Note: Chain identifiers seem OK
All ions seem to have a logical chain identifier, or there are no ions
present in the input file.
ERROR. File not found:
TAPEOUT.DAT
ERROR. File not found:
TAPEOUT.DAT
ERROR. File not found:
TAPEOUT.DAT
 
# 23 # Note: Ramachandran plot
In this Ramachandran plot x-signs represent glycines, squares represent
prolines, and plus-signs represent the other residues. If too many
plus-signs fall outside the contoured areas then the molecule is poorly
refined (or worse). Proline can only occur in the narrow region around
phi=-60 that also falls within the other contour islands.
 
In a colour picture, the residues that are part of a helix are shown in blue,
strand residues in red. Preferred regions for helical residues are drawn in
blue, for strand residues in red, and for all other residues in green. A full
explanation of the Ramachandran plot together with a series of examples can
be found at the WHAT CHECK website [REF].
 
In the TeX file, a plot has been inserted here
 
Chain identifier: A
 
# 24 # Note: Ramachandran plot
 
 
In the TeX file, a plot has been inserted here
 
Chain identifier: C
 
# 25 # 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 SPMYSIITPNILRLESEETMVLEAHDAQGDVPVTVTVHDFPGKKLVLSSEKTVLTPATNH
(   1)-(  60)
                     70        80        90       100       110       120
                      |         |         |         |         |         |
   61 -  120 MGNVTFTIPANREFKKGRNKFVTVQATFGTQVVEKVVLVSLQSGYLFIQTDKTIYTPGST
(  61)-( 122)
                    130       140       150       160       170       180
                      |         |         |         |         |         |
  121 -  180 VLYRIFTVNHKLLPVGRTVMVNIENPEGIPVKQDSLSSQNQLGVLPLSWDIPELVNMGQW
( 123)-( 182)
                    190       200       210       220       230       240
                      |         |         |         |         |         |
  181 -  240 KIRAYYENSPQQVFSTEFEVKEYVLPSFEVIVEPTEKFYYIYNEKGLEVTITARFLYGKK
( 183)-( 242)
                    250       260       270       280       290       300
                      |         |         |         |         |         |
  241 -  300 VEGTAFVIFGIQDGEQRISLPESLKRIPIEDGSGEVVLSRKVLLDGVQNPRAEDLVGKSL
( 243)-( 302)
                    310       320       330       340       350       360
                      |         |         |         |         |         |
  301 -  360 YVSATVILHSGSDMVQAERSGIPIVTSPYQIHFTKTPKYFKPGMPFDLMVFVTNPDGSPA
( 303)-( 362)
                    370       380       390       400       410       420
                      |         |         |         |         |         |
  361 -  420 YRVPVAVQGEDTVQSLTQGDGVAKLSINTHPSQKPLSITVRTKKQELSEAEQATRTMQAL
( 363)-( 422)
                    430       440       450       460       470       480
                      |         |         |         |         |         |
  421 -  480 PYSTVGNSNNYLHLSVLRTELRPGETLNVNFLLRMDRAHEAKIRYYTYLIMNKGRLLKAG
( 423)-( 482)
                    490       500       510       520       530       540
                      |         |         |         |         |         |
  481 -  540 RQVREPGQDLVVLPLSITTDFIPSFRLVAYYTLIGASGQREVVADSVWVDVKDSCVGSLV
( 483)-( 542)
                    550       560       570       580       590       600
                      |         |         |         |         |         |
  541 -  600 VKSGQSEDRQPVPGQQMTLKIEGDHGARVVLVAVDKGVFVLNKKNKLTQSKIWDVVEKAD
( 543)-( 602)
                    610       620       630       640
                      |         |         |         |
  601 -  640 IGCTPGSGKDYAGVFSDAGLTFTSSSGQQTAQRAELQCPQ
( 603)-( 642)
                    650       660       670       680       690       700
                      |         |         |         |         |         |
  641 -  700 DEDIIAEENIVSRSEFPESWLWNVEDLKEPPKNGISTKLMNIFLKDSITTWEILAVSMSD
( 730)-( 789)
                    710       720       730       740       750       760
                      |         |         |         |         |         |
  701 -  760 KKGICVADPFEVTVMQDFFIDLRLPYSVVRNEQVEIRAVLYNYRQNQELKVRVELLHNPA
( 790)-( 849)
                    770       780       790       800       810       820
                      |         |         |         |         |         |
  761 -  820 FCSLATTKRRHQQTVTIPPKSSLSVPYVIVPLKTGLQEVEVKAAVYHHFISDGVRKSLKV
( 850)-( 909)
                    830       840       850       860       870       880
                      |         |         |         |         |         |
  821 -  880 VPEGIRMNKTVAVRTLDPERLGREGVQKEDIPPADLSDQVPDTESETRILLQGTPVAQMT
( 910)-( 969)
                    890       900       910       920       930       940
                      |         |         |         |         |         |
  881 -  940 EDAVDAERLKHLIVTPSGCGEQNMIGMTPTVIAVHYLDETEQWEKFGLEKRQGALELIKK
( 970)-(1029)
                    950       960       970       980       990      1000
                      |         |         |         |         |         |
  941 - 1000 GYTQQLAFRQPSSAFAAFVKRAPSTWLTAYVVKVFSLAVNLIAIDSQVLCGAVKWLILEK
(1030)-(1089)
                   1010      1020      1030      1040      1050      1060
                      |         |         |         |         |         |
 1001 - 1060 QKPDGVFQEDAPVIHQEMIGGLRNNNEKDMALTAFVLISLQEAKDICEEQVNSLPGSITK
(1090)-(1149)
                   1070      1080      1090      1100      1110      1120
                      |         |         |         |         |         |
 1061 - 1120 AGDFLEANYMNLQRSYTVAIAGYALAQMGRLKGPLLNKFLTTAKDKNRWEDPGKQLYNVE
(1150)-(1209)
                   1130      1140      1150      1160      1170      1180
                      |         |         |         |         |         |
 1121 - 1180 ATSYALLALLQLKDFDFVPPVVRWLNEQRYYGGGYGSTQATFMVFQALAQYQKDAPDHQE
(1210)-(1269)
                   1190      1200      1210      1220      1230      1240
                      |         |         |         |         |         |
 1181 - 1240 LNLDVSLQLPSRSSKITHRIHWESASLLRSEETKENEGFTVTAEGKGQGTLSVVTMYHAK
(1270)-(1329)
                   1250      1260      1270      1280      1290      1300
                      |         |         |         |         |         |
 1241 - 1300 AKDQLTCNKFDLKVTIKPAPKNTMILEICTRYRGDQDATMSILDISMMTGFAPDTDDLKQ
(1330)-(1398)
                   1310      1320      1330      1340      1350      1360
                      |         |         |         |         |         |
 1301 - 1360 LANGVDRYISKYELDKAFSDRNTLIIYLDKVSHSEDDCLAFKVHQYFNVELIQPGAVKVY
(1399)-(1458)
                   1370      1380      1390      1400      1410      1420
                      |         |         |         |         |         |
 1361 - 1420 AYYNLEESCTRFYHPEKECRDELCRCAEENCFIQKSDDKVTLEERLDKACEPGVDYVYKT
(1459)-(1525)
                   1430      1440      1450      1460      1470      1480
                      |         |         |         |         |         |
 1421 - 1480 RLVKVQLSNDFDEYIMAIEQTIKSGSDEVQVGQQRTFISPIKCREALKLEEKKHYLMWGL
(1526)-(1585)
                   1490      1500      1510      1520      1530
                      |         |         |         |         |
 1481 - 1536 SSDFWGEKPNLSYIIGKDTWVEHWPEEDECQDEENQKQCQDLGAFTESMVVFGCPN
(1586)-(1641)
            1540      1550      1560      1570      1580      1590
               |         |         |         |         |         |
 1538 - 1597 CNELPPRRNTEILTGSWSDQTYPEGTQAIYKCRPGYRSLGNIIMVCRKGEWVALNPLRKC
(   3)-(  62)
            1600      1610      1620      1630      1640      1650
               |         |         |         |         |         |
 1598 - 1657 QKRPCGHPGDTPFGTFTLTGGNVFEYGVKAVYTCNEGYQLLGEINYRECDTDGWTNDIPI
(  63)-( 122)
            1660      1670      1680      1690      1700      1710
               |         |         |         |         |         |
 1658 - 1717 CEVVKCLPVTAPENGKIVSSAMEPDREYHFGQAVRFVCNSGYKIEGDEEMHCSDDGFWSK
( 123)-( 182)
            1720      1730      1740      1750      1760      1770
               |         |         |         |         |         |
 1718 - 1777 EKPKCVEISCKSPDVINGSPISQKIIYKENERFQYKCNMGYEYSERGDAVCTESGWRPLP
( 183)-( 242)
            1780
               |
 1778 - 1782 SCEEA
( 243)-( 247)
 
 
 
 
# 26 # Note: No rounded coordinates detected
No significant rounding of atom coordinates has been detected.
 
# 27 # 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.
 
# 28 # Note: No missing atoms detected in residues
All expected atoms are present in residues. This validation option has not
looked at 'things' that can or should be attached to the elementary building
blocks (amino acids, nucleotides). Even the C-terminal oxygens are treated
separately.
 
# 29 # 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.
 
    1 SER  (   1-) A  -   High
   13 ARG  (  13-) A  -   High
   15 GLU  (  15-) A  -   High
   20 MET  (  20-) A  -   High
   26 ASP  (  26-) A  -   High
   28 GLN  (  28-) A  -   High
   30 ASP  (  30-) A  -   High
   51 LYS  (  51-) A  -   High
   61 MET  (  61-) A  -   High
   71 ASN  (  71-) A  -   High
   72 ARG  (  72-) A  -   High
   73 GLU  (  73-) A  -   High
   74 PHE  (  74-) A  -   High
   75 LYS  (  75-) A  -   High
   76 LYS  (  78-) A  -   High
And so on for a total of   373 lines.
 
# 30 # 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.
 
   75 LYS  (  75-) A  -        OK (2)
  640 GLN  ( 642-) A  -        OK
 1260 PRO  (1349-) B  -        OK (9)
 1378 GLU  (1476-) B  -        OK (7)
 1536 ASN  (1641-) B  -        +OXT [1536 ; 640 ; 1641]
 1782 ALA  ( 247-) C  -        OK
 
# 31 # Note: Weights administratively correct
All atomic occupancy factors ('weights') fall in the 0.0--1.0 range, which
makes them administratively correct.
 
# 32 # 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.
 
# 33 # 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.
 
# 34 # 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
 
# 35 # 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
 
# 36 # Warning: Analysis of bonded atoms indicate B-factor problems
For each of the bond types in a protein a distribution was derived for the
difference between the square roots of the B-factors of the two atoms. All
bonds in the current protein were scored against these distributions. The
number given below is the RMS Z-score over the structure. For a structure
with completely restrained B-factors, this value will be around 0.35, for
extremely high resolution structures refined with free isotropic B-factors
this number is expected to be near 1.0. A value over 1.5 is a sign of
under-contraining of the B-factors during refinement.
 
RMS Z-score :  1.667 over   10825 bonds
Average difference in B over a bond :    5.63
RMS difference in B over a bond :    7.78
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
 
# 37 # Note: B-factor plot
The average atomic B-factor per residue is plotted as function of the residue
number.
 
In the TeX file, a plot has been inserted here
 
Chain identifier: A
 
# 38 # Note: B-factor plot
 
 
In the TeX file, a plot has been inserted here
 
Chain identifier: C
 
# 39 # 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.
 
# 40 # Note: Valine nomenclature OK
No errors were detected in valine nomenclature.
 
# 41 # Note: Threonine nomenclature OK
No errors were detected in threonine nomenclature.
 
# 42 # Note: Isoleucine nomenclature OK
No errors were detected in isoleucine nomenclature.
 
# 43 # Note: Leucine nomenclature OK
No errors were detected in leucine nomenclature.
 
# 44 # Warning: Arginine nomenclature problem
The arginine residues listed in the table below have their NH1 and NH2
swapped.
 
   78 ARG  (  80-) A  -
  438 ARG  ( 440-) A  -
  826 ARG  ( 915-) B  -
  843 ARG  ( 932-) B  -
 1074 ARG  (1163-) B  -
 1545 ARG  (  10-) C  -
 1644 ARG  ( 109-) C  -
 1749 ARG  ( 214-) C  -
 
# 45 # Warning: Tyrosine convention problem
The tyrosine residues listed in the table below have their chi-2 not between
-90.0 and 90.0
 
  431 TYR  ( 433-) A  -
 1373 TYR  (1471-) B  -
 
# 46 # Note: Phenylalanine torsion conventions OK
No errors were detected in phenylalanine torsion angle conventions.
 
# 47 # Note: Aspartic acid torsion conventions OK
No errors were detected in aspartic acid torsion angle conventions.
 
# 48 # Note: Glutamic acid torsion conventions OK
No errors were detected in glutamic acid torsion angle conventions.
 
# 49 # 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).
 
# 50 # 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.
 
# 51 # Note: No decreasing residue numbers
All residue numbers are strictly increasing within each chain.
 
# 52 # Note: All bond lengths OK
All bond lengths are in agreement with standard bond lengths using a
tolerance of 4 sigma (both standard values and sigma for amino acids
have been taken from Engh and Huber [REF], for DNA/RNA from Parkinson
et al [REF]).
 
# 53 # 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: 0.143
 RMS-deviation in bond distances: 0.004
 
# 54 # Note: No bond length directionality
Comparison of bond distances with Engh and Huber [REF] standard values for
protein residues and Parkinson et al [REF] values for DNA/RNA does not show
significant systematic deviations.
 
# 55 # Note: All bond angles OK
All bond angles are in agreement with standard bond angles using a tolerance
of 4 sigma (both standard values and sigma for protein residues have been
taken from Engh and Huber [REF], for DNA/RNA from Parkinson et al. [REF]).
Please note that disulphide bridges are neglected.
 
# 56 # 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: 0.330
 RMS-deviation in bond angles: 0.619
 
# 57 # 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.
 
   78 ARG  (  80-) A  -
  438 ARG  ( 440-) A  -
  826 ARG  ( 915-) B  -
  843 ARG  ( 932-) B  -
 1074 ARG  (1163-) B  -
 1545 ARG  (  10-) C  -
 1644 ARG  ( 109-) C  -
 1749 ARG  ( 214-) C  -
 
# 58 # Note: Chirality OK
All protein atoms have proper chirality. But, look at the previous table to
see a series of administrative chirality problems that were corrected
automatically upon reading-in the PDB file.
The average deviation= 0.360
 
# 59 # 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 : 0.316
 
# 60 # Note: Tau angles OK
All of the tau angles (N-C-alpha-C) of amino acids fall within expected
RMS deviations.
 
# 61 # Note: Low tau angle deviations
The RMS Z-score for the tau angles (N-C-alpha-C) in the structure is rather
low. For well refined structures this number is expected to be near 1.0. The
fact that it is lower than 0.5 probably means that the tau angles were
strongly restrained during refinement. Whether this is a problem or not
depends on the quality and quantity of experimental data. 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 : 0.409
 
# 62 # Note: Side chain planarity OK
All of the side chains of residues that have an intact planar group are
planar within expected RMS deviations.
 
# 63 # 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.
 
# 64 # Warning: Ramachandran Z-score low
The score expressing how well the backbone conformations of all residues
correspond to the known allowed areas in the Ramachandran plot is a bit low.
 
 Ramachandran Z-score : -3.088
 
# 65 # 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.
 
# 66 # 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.
 
  689 THR  ( 778-) B  -   -3.0
 1610 PHE  (  75-) C  -   -2.8
   41 PRO  (  41-) A  -   -2.8
 1549 ILE  (  14-) C  -   -2.6
 1305 VAL  (1403-) B  -   -2.6
  513 LEU  ( 515-) A  -   -2.5
  503 PRO  ( 505-) A  -   -2.4
  809 PHE  ( 898-) B  -   -2.4
   52 THR  (  52-) A  -   -2.3
 1339 LEU  (1437-) B  -   -2.3
 1759 GLU  ( 224-) C  -   -2.3
 1304 GLY  (1402-) B  -   -2.3
 1679 MET  ( 144-) C  -   -2.3
 1027 GLU  (1116-) B  -   -2.3
 1237 TYR  (1326-) B  -   -2.2
And so on for a total of    41 lines.
 
# 67 # 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 THR  (   8-) A  - Omega to (next) Pro poor
   29 GLY  (  29-) A  - Poor phi/psi
   31 VAL  (  31-) A  - Omega to (next) Pro poor
   40 PHE  (  40-) A  - Omega to (next) Pro poor
   43 LYS  (  43-) A  - Poor phi/psi
   55 THR  (  55-) A  - Omega to (next) Pro poor
   59 ASN  (  59-) A  - Poor phi/psi
   60 HIS  (  60-) A  - Poor phi/psi
   68 ILE  (  68-) A  - Omega to (next) Pro poor
   70 ALA  (  70-) A  - Poor phi/psi
   74 PHE  (  74-) A  - Poor phi/psi
   77 GLY  (  79-) A  - Poor phi/psi
   89 GLY  (  91-) A  - Poor phi/psi
  104 GLY  ( 106-) A  - Poor phi/psi
  116 THR  ( 118-) A  - Omega to (next) Pro poor
And so on for a total of   213 lines.
 
# 68 # 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.
 
   45 LEU  (  45-) A  -    -1.32
  101 LEU  ( 103-) A  -    -1.31
  156 LEU  ( 158-) A  -    -1.32
  162 LEU  ( 164-) A  -    -1.32
  348 LEU  ( 350-) A  -    -1.31
  407 LEU  ( 409-) A  -    -1.31
  437 LEU  ( 439-) A  -    -1.32
  469 LEU  ( 471-) A  -    -1.32
  513 LEU  ( 515-) A  -    -1.32
  581 LEU  ( 583-) A  -    -1.31
  724 LEU  ( 813-) B  -    -1.31
  783 LEU  ( 872-) B  -    -1.31
  818 LEU  ( 907-) B  -    -1.32
 1208 LEU  (1297-) B  -    -1.32
 1245 LEU  (1334-) B  -    -1.32
And so on for a total of   694 lines.
 
# 69 # Note: chi-1/chi-2 angle correlation Z-score OK
The score expressing how well the chi-1/chi-2 angles of all residues
correspond to the populated areas in the database is
within expected ranges for well-refined structures.
 
 chi-1/chi-2 correlation Z-score : -2.791
 
# 70 # 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.
 
  769 ARG  ( 858-) B  -   0.33
 1444 SER  (1549-) B  -   0.35
 1630 THR  (  95-) C  -   0.35
  153 GLN  ( 155-) A  -   0.35
  314 MET  ( 316-) A  -   0.36
 1271 ARG  (1369-) B  -   0.36
 1281 SER  (1379-) B  -   0.36
 1614 THR  (  79-) C  -   0.36
 1700 LYS  ( 165-) C  -   0.36
  817 SER  ( 906-) B  -   0.38
 1528 SER  (1633-) B  -   0.38
 1779 CYS  ( 244-) C  -   0.38
  154 ASP  ( 156-) A  -   0.38
 1497 LYS  (1602-) B  -   0.39
  155 SER  ( 157-) A  -   0.39
  196 THR  ( 198-) A  -   0.39
 1286 SER  (1384-) B  -   0.39
 
# 71 # 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!
 
  406 GLU  ( 408-) A  -       0
  502 ILE  ( 504-) A  -       0
  517 SER  ( 519-) A  -       0
  607 SER  ( 609-) A  -       0
  662 TRP  ( 751-) B  -       0
  855 ASP  ( 944-) B  -       0
  899 CYS  ( 988-) B  -       0
 1025 ASN  (1114-) B  -       0
 1026 ASN  (1115-) B  -       0
 1226 LYS  (1315-) B  -       0
 1303 ASN  (1401-) B  -       0
 1305 VAL  (1403-) B  -       0
 1391 CYS  (1496-) B  -       0
 1392 PHE  (1497-) B  -       0
 1554 TRP  (  19-) C  -       0
And so on for a total of    49 lines.
 
# 72 # 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 : -0.345
 
# 73 # Warning: Omega angles too tightly restrained
The omega angles for trans-peptide bonds in a structure are expected to give
a gaussian distribution with the average around +178 degrees and a standard
deviation around 5.5 degrees. These expected values were obtained from very
accurately determined structures. Many protein structures are too tightly
restrained. This seems to be the case with the current structure too, as the
observed standard deviation is below 4.0 degrees.
 
Omega average and std. deviation= 179.910 2.740
 
# 74 # Note: PRO puckering amplitude OK
Puckering amplitudes for all PRO residues are within normal ranges.
 
# 75 # 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].
 
   41 PRO  (  41-) A  -   32.7 envelop C-delta (36 degrees)
  134 PRO  ( 136-) A  - -116.2 envelop C-gamma (-108 degrees)
  146 PRO  ( 148-) A  -   99.7 envelop C-beta (108 degrees)
  261 PRO  ( 263-) A  - -114.8 envelop C-gamma (-108 degrees)
  503 PRO  ( 505-) A  -   31.5 envelop C-delta (36 degrees)
  852 PRO  ( 941-) B  -   51.7 half-chair C-delta/C-gamma (54 degrees)
 1412 PRO  (1517-) B  - -118.8 half-chair C-delta/C-gamma (-126 degrees)
 1460 PRO  (1565-) B  - -115.5 envelop C-gamma (-108 degrees)
 1542 PRO  (   7-) C  -   99.7 envelop C-beta (108 degrees)
 1605 PRO  (  70-) C  - -114.8 envelop C-gamma (-108 degrees)
 1720 PRO  ( 185-) C  -  -60.2 half-chair C-beta/C-alpha (-54 degrees)
 1775 PRO  ( 240-) C  -   52.0 half-chair C-delta/C-gamma (54 degrees)
 
# 76 # 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!
 
 1304 GLY  (1402-) B  -  3.06   21
  515 GLY  ( 517-) A  -  1.63   13
 1533 GLY  (1638-) B  -  1.60   26
 
# 77 # 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.
 
  207 SER  ( 209-) A  - TT+   Highly likely
  271 ASP  ( 273-) A  - TT+   Highly likely
  406 GLU  ( 408-) A  - TT+   Highly likely
  429 ASN  ( 431-) A  - TT+   Highly likely
  673 ASN  ( 762-) B  - TT+   Highly likely
  731 ASN  ( 820-) B  - TT+   Highly likely
  746 ASN  ( 835-) B  - TT+   Highly likely
  807 HIS  ( 896-) B  - TT+   Highly likely
  844 GLU  ( 933-) B  - TT+   Highly likely
  856 LEU  ( 945-) B  - TT+   Highly likely
  862 ASP  ( 951-) B  - TT+   Highly likely
 1105 ASP  (1194-) B  - TT+   Highly likely
 1247 CYS  (1336-) B  - TT+   Highly likely
 1320 ASP  (1418-) B  - TT+   Highly likely
 1333 HIS  (1431-) B  - TT+   Highly likely
And so on for a total of    77 lines.
 
# 78 # Error: Abnormally short interatomic distances
The pairs of atoms listed in the table below have an unusually short
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.
 
The last text-item on each line represents the status of the atom pair. The
text `INTRA' means that the bump is between atoms that are explicitly listed
in the PDB file. `INTER' means it is an inter-symmetry bump. 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.
 
It seems likely that at least some of the reported bumps are caused by
administrative errors in the chain names. I.e. covalently bound atoms with
different non-blank chain-names are reported as bumps. In rare cases this is
not an error.
 
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.
 
   63 ASN  (  63-) A  -    ND2  <-->   1783 NAG  (   1-) D  -    C1   1.66    1.44  INTRA BF
  828 ASN  ( 917-) B  -    ND2  <-->   1537 NAG  (2655-) B  -    C1   1.66    1.44  INTRA BF
 1783 NAG  (   1-) D  -    O4   <-->   1784 NAG  (   2-) D  -    C1   1.16    1.44  INTRA BF
   63 ASN  (  63-) A  -    CG   <-->   1783 NAG  (   1-) D  -    C1   0.94    2.26  INTRA BL
  828 ASN  ( 917-) B  -    ND2  <-->   1537 NAG  (2655-) B  -    C2   0.94    2.16  INTRA BF
  828 ASN  ( 917-) B  -    CG   <-->   1537 NAG  (2655-) B  -    C1   0.92    2.28  INTRA BF
   63 ASN  (  63-) A  -    ND2  <-->   1783 NAG  (   1-) D  -    C2   0.68    2.42  INTRA BF
 1783 NAG  (   1-) D  -    C4   <-->   1784 NAG  (   2-) D  -    C1   0.68    2.32  INTRA BF
   63 ASN  (  63-) A  -    ND2  <-->   1783 NAG  (   1-) D  -    O5   0.34    2.36  INTRA BF
  828 ASN  ( 917-) B  -    ND2  <-->   1537 NAG  (2655-) B  -    O5   0.32    2.38  INTRA BF
   63 ASN  (  63-) A  -    OD1  <-->   1783 NAG  (   1-) D  -    C1   0.29    2.51  INTRA BL
  828 ASN  ( 917-) B  -    ND2  <-->   1537 NAG  (2655-) B  -    N2   0.28    2.72  INTRA BF
 1538 CYS  (   3-) C  -    N    <-->   1583 CYS  (  48-) C  -    SG   0.28    3.02  INTRA BF
 1783 NAG  (   1-) D  -    O4   <-->   1784 NAG  (   2-) D  -    C2   0.28    2.42  INTRA BF
 1545 ARG  (  10-) C  -    NH2  <-->   1581 MET  (  46-) C  -    SD   0.23    3.07  INTRA BF
And so on for a total of    76 lines.
 
# 79 # 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: 14.504
Total bump value per residue: 0.043
Total number of bumps: 76
Total squared bump value: 11.358
Total number of bumps in the mildest bin: 62
Total number of bumps in the second bin: 6
Total number of bumps in the middle bin: 2
Total number of bumps in the fourth bin: 3
Total number of bumps in the worst bin: 3
 
# 80 # 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.
 
# 81 # 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 : 0.996
 
# 82 # 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
 
# 83 # Note: Inside/Outside RMS Z-score plot
 
 
In the TeX file, a plot has been inserted here
 
Chain identifier: C
 
# 84 # 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.
 
 1155 TYR  (1244-) B  -  -7.98
   28 GLN  (  28-) A  -  -7.13
  393 GLN  ( 395-) A  -  -7.05
  288 GLN  ( 290-) A  -  -7.05
  843 ARG  ( 932-) B  -  -6.76
 1544 ARG  (   9-) C  -  -6.69
  637 GLN  ( 639-) A  -  -6.63
 1756 MET  ( 221-) C  -  -6.54
 1273 ARG  (1371-) B  -  -6.47
  826 ARG  ( 915-) B  -  -6.47
  840 ARG  ( 929-) B  -  -6.25
 1377 LYS  (1475-) B  -  -6.23
  174 LEU  ( 176-) A  -  -6.14
 1541 LEU  (   6-) C  -  -5.92
 1679 MET  ( 144-) C  -  -5.86
And so on for a total of    49 lines.
 
# 85 # Warning: Abnormal packing environment for sequential residues
A stretch of at least three sequential residues with a questionable packing
environment was found. This could indicate that these residues are part
of a strange loop. It might also be an indication of misthreading in the
density. However, it can also indicate that one or more residues in this
stretch have other problems such as, for example, missing atoms, very
weird angles or bond lengths, etc.
 
The table below lists the first and last residue in each stretch found,
as well as the average residue score of the series.
 
 1023 ARG  (1112-) B  -     1025 --- ASN  1114- (B ) -       -4.44
 1346 TYR  (1444-) B  -     1348 --- ASN  1446- (B ) -       -5.10
 1539 ASN  (   4-) C  -     1541 --- LEU     6- (C ) -       -4.80
 
# 86 # Note: Structural average packing environment OK
The structural average packing score is within normal ranges.
 
 
Average for range     1 - 1784 :  -0.626
 
# 87 # 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
 
# 88 # 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: C
 
# 89 # 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.
 
 1552 GLY  (  17-) C  -  -2.90
  289 ASN  ( 291-) A  -  -2.83
 1363 TYR  (1461-) B  -  -2.61
   45 LEU  (  45-) A  -  -2.59
 
# 90 # Warning: Abnormal packing Z-score for sequential residues
A stretch of at least four sequential residues with a 2nd generation packing
Z-score below -1.75 was found. This could indicate that these residues are
part of a strange loop or that the residues in this range are incomplete,
but it might also be an indication of misthreading.
 
The table below lists the first and last residue in each stretch found,
as well as the average residue Z-score of the series.
 
 1016 GLN  (1105-) B  -   ---  1019 ILE  (1108-) B  -      -1.91
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
 
# 91 # 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
 
# 92 # Note: Second generation quality Z-score plot
 
 
In the TeX file, a plot has been inserted here
 
Chain identifier: C
 
# 93 # 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.
 
# 94 # Note: Water contacts OK
All water clusters make at least one contact with a non-water atom.
 
# 95 # Note: No waters need moving
All water molecules are sufficiently close to the asymmetric unit given in
the input file.
 
# 96 # Note: Water hydrogen bonds OK
All water molecules can form hydrogen bonds.
 
# 97 # 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.
 
  130 HIS  ( 132-) A  -
  556 GLN  ( 558-) A  -
  628 GLN  ( 630-) A  -
  828 ASN  ( 917-) B  -
 1068 ASN  (1157-) B  -
 1087 GLN  (1176-) B  -
 1178 HIS  (1267-) B  -
 1578 ASN  (  43-) C  -
 
# 98 # 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.
 
   25 HIS  (  25-) A  -   HIS-H   0.06 HIS-E   0.59
   38 HIS  (  38-) A  -   HIS-H   0.03 HIS-E   0.58
   60 HIS  (  60-) A  -   HIS-H   0.07 HIS-E   0.59
  130 HIS  ( 132-) A  -   HIS-H   0.10 HIS-E   0.62
  309 HIS  ( 311-) A  -   HIS-H   0.11 HIS-D   0.55
  332 HIS  ( 334-) A  -   HIS-H   0.03 HIS-E   0.58
  390 HIS  ( 392-) A  -   HIS-H   0.03 HIS-E   0.59
  433 HIS  ( 435-) A  -   HIS-H   0.07 HIS-E   0.59
  459 HIS  ( 461-) A  -   HIS-H   0.07 HIS-D   0.57
  565 HIS  ( 567-) A  -   HIS-H   0.03 HIS-D   0.57
  757 HIS  ( 846-) B  -   HIS-H   0.06 HIS-D   0.55
  771 HIS  ( 860-) B  -   HIS-H   0.12 HIS-D   0.61
  807 HIS  ( 896-) B  -   HIS-H   0.03 HIS-D   0.56
  808 HIS  ( 897-) B  -   HIS-H   0.05 HIS-D   0.54
  891 HIS  ( 980-) B  -   HIS-H   0.04 HIS-E   0.58
  915 HIS  (1004-) B  -   HIS-H   0.03 HIS-E   0.58
 1015 HIS  (1104-) B  -   HIS-H   0.06 HIS-D   0.55
 1178 HIS  (1267-) B  -   HIS-H   0.04 HIS-D   0.56
 1198 HIS  (1287-) B  -   HIS-H   0.06 HIS-E   0.60
 1201 HIS  (1290-) B  -   HIS-H   0.03 HIS-E   0.58
 1238 HIS  (1327-) B  -   HIS-H   0.06 HIS-E   0.57
 1333 HIS  (1431-) B  -   HIS-H   0.05 HIS-D   0.54
 1344 HIS  (1442-) B  -   HIS-H   0.05 HIS-D   0.55
 1374 HIS  (1472-) B  -   HIS-H   0.01 HIS-D   0.56
 1474 HIS  (1579-) B  -   HIS-H   0.06 HIS-E   0.60
 1503 HIS  (1608-) B  -   HIS-H   0.06 HIS-E   0.60
 1604 HIS  (  69-) C  -   HIS-H   0.02 HIS-E   0.58
 1686 HIS  ( 151-) C  -   HIS-H   0.04 HIS-D   0.57
 1708 HIS  ( 173-) C  -   HIS-H   0.03 HIS-D   0.55
 
# 99 # 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.
 
   11 ILE  (  11-) A  -    N
   16 SER  (  16-) A  -    N
   73 GLU  (  73-) A  -    N
  104 GLY  ( 106-) A  -    N
  106 LEU  ( 108-) A  -    N
  114 ILE  ( 116-) A  -    N
  137 ARG  ( 139-) A  -    NH1
  152 LYS  ( 154-) A  -    N
  203 TYR  ( 205-) A  -    N
  208 PHE  ( 210-) A  -    N
  210 VAL  ( 212-) A  -    N
  218 PHE  ( 220-) A  -    N
  222 TYR  ( 224-) A  -    N
  237 TYR  ( 239-) A  -    N
  237 TYR  ( 239-) A  -    OH
And so on for a total of   148 lines.
 
# 100 # 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.
 
   18 GLU  (  18-) A  -    OE1
   38 HIS  (  38-) A  -    ND1
  313 ASP  ( 315-) A  -    OD1
  430 ASN  ( 432-) A  -    OD1
  669 GLU  ( 758-) B  -    OE1
 1050 GLN  (1139-) B  -    OE1
 1066 GLU  (1155-) B  -    OE1
 1313 GLU  (1411-) B  -    OE2
 1765 ASP  ( 230-) C  -    OD1
 
# 101 # 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: 2557
- of which buried: 1176
Total number of acceptors: 2820
- of which buried: 965
Total number of donor+acceptors: 303
  (e.g. the Ser Ogamma that can donate and accept)
- of which buried: 67
Buried donors: 1176
- without H-bond: 137
- essentially without H-bond: 3
- with only a very poor H-bond: 13
- with a poor H-bond: 24
- with a H-bond: 999
Buried acceptors: 965
- without H-bond: 146
- essentially without H-bond: 3
- with only a very poor H-bond: 96
- with a poor H-bond: 618
- with a H-bond: 102
 
# 102 # 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)    75 (   75) A Protein             /zata/tempdir/2wi...
     2    76 (   78)   640 (  642) A Protein             /zata/tempdir/2wi...
     3   641 (  730)  1260 ( 1349) B Protein             /zata/tempdir/2wi...
     4  1261 ( 1359)  1378 ( 1476) B Protein             /zata/tempdir/2wi...
     5  1379 ( 1484)  1536 ( 1641) B Protein             /zata/tempdir/2wi...
     6  1537 ( 2655)  1537 ( 2655) B Sugar               /zata/tempdir/2wi...
     7  1538 (    3)  1782 (  247) C Protein             /zata/tempdir/2wi...
     8  1783 (    1)  1783 (    1) D Sugar               /zata/tempdir/2wi...
     9  1784 (    2)  1784 (    2) D Sugar<-             /zata/tempdir/2wi...
    10  1785 ( 1643)  1785 ( 1643) A  CA                 /zata/tempdir/2wi...
    11  1786 ( 1644)  1786 ( 1644) A GOL                 /zata/tempdir/2wi...
    12  1787 ( 1645)  1787 ( 1645) A GOL                 /zata/tempdir/2wi...
    13  1788 ( 1646)  1788 ( 1646) A GOL                 /zata/tempdir/2wi...
    14  1789 ( 1641)  1789 ( 1641) B N O2 <-  1536       /zata/tempdir/2wi...
    15  1790 ( 2642)  1790 ( 2642) B GOL                 /zata/tempdir/2wi...
And so on for a total of    35 lines.
 
# 103 # 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  :   2.700
  1st generation packing quality :  -0.314 (          (  -0.8,  2.5))
  2nd generation packing quality :  -1.738 (          (  -1.6,  1.2))
  Ramachandran plot appearance   :  -3.088 (poor      (  -2.9,  1.6))
  chi-1/chi-2 rotamer normality  :  -2.791 (          (  -4.7,  1.8))
  Backbone conformation          :  -0.345 (          (  -0.9,  3.7))
  Inside/Outside distribution    :   0.996
 
 RMS Z-scores, should be close to 1.0:
  Bond lengths                   :   0.143 (tight)
  Bond angles                    :   0.330 (tight)
  Omega angle restraints         :   0.498 (tight)
  Side chain planarity           :   0.108 (tight)
  Improper dihedral distribution :   0.316
  B-factor distribution          :   1.667 (loose)
 
# 104 # 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.
 
# 105 # 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.
 
# 106 # 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.
 
# 107 # 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.
 
# 108 # 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.
 
 1783 NAG  (   1-) D  -     23.63
   63 ASN  (  63-) A  -     21.94
  640 GLN  ( 642-) A  -     16.26
 1155 TYR  (1244-) B  -     15.97
   28 GLN  (  28-) A  -     14.26
  393 GLN  ( 395-) A  -     14.11
  288 GLN  ( 290-) A  -     14.11
  843 ARG  ( 932-) B  -     13.52
 1544 ARG  (   9-) C  -     13.38
 1774 ARG  ( 239-) C  -     13.32
  637 GLN  ( 639-) A  -     13.25
 1756 MET  ( 221-) C  -     13.08
 1273 ARG  (1371-) B  -     12.95
  826 ARG  ( 915-) B  -     12.94
 1261 LYS  (1359-) B  -     12.52
And so on for a total of   131 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.
