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

Date : 2025-01-30
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/5rek/wctemf/5rek_final.pdb         ====
=========================================
 
# 1 # Note: Introduction
WHAT CHECK needs to read a PDB file before it can check it. It does a
series of checks upon reading the file. The results of these checks are
reported in this section (section 2.1). The rest of the report will be more
systematic in that section 2.2 reports on administrative problems. Section
2.3 gives descriptive output that is not directly validating things but
more telling you how WHAT CHECK interpreted the input file. Section 2.4
looks at B-factors, occupancies, and the presence/absence of (spurious)
atoms. Section 2.5 deals with nomenclature problems. Section 2.6 deals with
geometric problems like bond lengths and bond angles. Section 2.7 deals with
torsion angle issues. Section 2.8 looks at atomic clashes. Section 2.9 deals
with packing, accessibility, etc, issues. Section 2.10 deals with hydrogen
bonds, ion packing, and other things that can be summarized under the common
name charge-charge interactions. Section 2.11 gives a summary of whole report
and tells you (if applicable) which symmetry matrices were used. Section 2.12
tells the crystallographer which are the things most in need of manual
correction. And the last section, section 2.13, lists all residues sorted
by their need for visual inspection in light of the electron density.
WARNING. Date error on HEADER card:
HEADER                                                        5REK
ATOM  *****  O   DMS A 401       7.778 -27.075  22.353  1.00 22.25       O   O
ATOM  *****  C1  DMS A 401       5.778 -28.756  22.541  1.00 23.83       C1  C
ATOM  *****  C2  DMS A 401       5.900 -26.989  20.537  1.00 22.95       C2  C
ATOM  *****  O   DMS A 402       6.947  -0.730  -7.446  1.00 31.65       O   O
ATOM  *****  C1  DMS A 402       7.228  -0.918  -4.845  1.00 30.39       C1  C
ATOM  *****  C2  DMS A 402       5.852  -2.762  -6.203  1.00 29.27       C2  C
ATOM  *****  O   DMS A 403       3.603 -18.846   8.894  1.00 40.28       O   O
ATOM  *****  C1  DMS A 403       1.082 -18.126   8.927  1.00 45.93       C1  C
ATOM  *****  C2  DMS A 403       1.764 -20.664   8.462  1.00 48.43       C2  C
ATOM  *****  C4  T1Y A 404       3.440  -4.245  25.812  0.56 38.30       C4  C
ATOM  *****  C5  T1Y A 404       3.826  -2.916  25.868  0.56 39.95       C5  C
ATOM  *****  C6  T1Y A 404       6.428  -4.481  24.120  0.56 26.63       C6  C
ATOM  *****  C7  T1Y A 404       7.266  -4.874  22.930  0.56 25.43       C7  C
ATOM  *****  C8  T1Y A 404       5.400  -6.141  22.029  0.56 25.39       C8  C
ATOM  *****  C10 T1Y A 404       6.494  -4.475  20.575  0.56 21.19       C10 C
ATOM  *****  N   T1Y A 404       5.410  -5.518  24.368  0.56 29.48       N   N
ATOM  *****  C   T1Y A 404       2.836  -1.958  25.853  0.56 41.77       C   C
ATOM  *****  O   T1Y A 404       4.007  -6.772  25.955  0.56 37.23       O   O
ATOM  *****  C1  T1Y A 404       1.496  -2.254  25.784  0.56 38.67       C1  C
ATOM  *****  C11 T1Y A 404       7.588  -3.471  20.362  0.56 21.95       C11 C
ATOM  *****  C2  T1Y A 404       1.132  -3.585  25.731  0.56 39.65       C2  C
ATOM  *****  C3  T1Y A 404       2.096  -4.583  25.745  0.56 39.52       C3  C
ATOM  *****  C9  T1Y A 404       4.545  -5.727  23.197  0.56 27.07       C9  C
ATOM  *****  F   T1Y A 404       3.209  -0.661  25.904  0.56 46.25       F   F
ATOM  *****  O1  T1Y A 404       5.664  -5.143  26.793  0.56 30.03       O1  O
ATOM  *****  O2  T1Y A 404       5.701  -4.718  19.673  0.56 18.82       O2  O
ATOM  *****  S   T1Y A 404       4.673  -5.514  25.833  0.56 35.61       S   S
ATOM  *****  O   HOH A 502       6.396   9.875  -1.106  1.00 22.04       502 O
ATOM  *****  O   HOH A 503       3.572  11.765 -21.605  1.00 36.69       503 O
ATOM  *****  O   HOH A 504       0.196   3.764 -14.521  1.00 32.41       504 O
ATOM  *****  O   HOH A 505      17.369  -5.605  33.616  1.00 34.48       505 O
ATOM  *****  O   HOH A 508      24.349  -5.688   8.788  1.00 23.01       508 O
ATOM  *****  O   HOH A 509      13.538   0.945  -5.402  1.00 23.00       509 O
ATOM  *****  O   HOH A 510       0.096  -1.285  12.138  1.00 25.31       510 O
ATOM  *****  O   HOH A 511      20.991  28.683  -6.846  1.00 34.78       511 O
ATOM  *****  O   HOH A 512      21.814 -13.326  34.211  1.00 37.19       512 O
ATOM  *****  O   HOH A 513      14.936  -9.567  -3.981  1.00 35.27       513 O
ATOM  *****  O   HOH A 514      16.967  13.632 -21.808  1.00 24.99       514 O
ATOM  *****  O   HOH A 516       2.695   5.070  20.392  1.00 30.98       516 O
ATOM  *****  O   HOH A 518       8.059 -17.907  28.047  1.00 30.88       518 O
ATOM  *****  O   HOH A 519      21.688 -20.359  30.556  1.00 28.10       519 O
ATOM  *****  O   HOH A 520      24.595   5.200  18.843  1.00 30.82       520 O
ATOM  *****  O   HOH A 521      15.126  18.592 -21.814  1.00 23.11       521 O
ATOM  *****  O   HOH A 522      28.344   8.954 -11.612  1.00 35.17       522 O
ATOM  *****  O   HOH A 523      23.406  22.673 -17.109  1.00 16.29       523 O
ATOM  *****  O   HOH A 524      15.830 -27.673  12.230  1.00 22.37       524 O
ATOM  *****  O   HOH A 525      -2.698  28.571 -10.677  1.00 43.18       525 O
ATOM  *****  O   HOH A 526      10.227 -17.662  -3.945  1.00 39.23       526 O
ATOM  *****  O   HOH A 527      13.192  23.157 -18.598  1.00 27.12       527 O
ATOM  *****  O   HOH A 528      12.166 -26.903  22.982  1.00 22.17       528 O
ATOM  *****  O   HOH A 529      -3.238  11.197 -17.021  1.00 36.36       529 O
ATOM  *****  O   HOH A 530       6.102   8.347  12.166  1.00 35.49       530 O
ATOM  *****  O   HOH A 531       0.068 -17.297  15.189  1.00 34.18       531 O
ATOM  *****  O   HOH A 532      16.640  28.073 -20.334  1.00 27.06       532 O
ATOM  *****  O   HOH A 533       6.078   4.314  21.601  1.00 32.64       533 O
ATOM  *****  O   HOH A 534       9.405 -23.254  23.124  1.00 25.86       534 O
ATOM  *****  O   HOH A 535      24.805  29.038  -8.840  1.00 30.76       535 O
ATOM  *****  O   HOH A 537      -0.769  22.933  -3.216  1.00 37.97       537 O
ATOM  *****  O   HOH A 538      20.745 -12.914  10.759  1.00 23.88       538 O
ATOM  *****  O   HOH A 539      21.922   9.949   5.280  1.00 29.79       539 O
ATOM  *****  O   HOH A 540      24.132  -8.830  20.634  1.00 21.58       540 O
ATOM  *****  O   HOH A 541      20.455  21.444   4.421  1.00 30.67       541 O
ATOM  *****  O   HOH A 542       9.678  25.105  -0.667  1.00 27.72       542 O
ATOM  *****  O   HOH A 543      10.381  -0.388  -2.838  1.00 24.13       543 O
ATOM  *****  O   HOH A 544      -5.440  19.812  -7.989  1.00 39.03       544 O
ATOM  *****  O   HOH A 545      15.132  26.838 -12.057  1.00 26.67       545 O
ATOM  *****  O   HOH A 546      14.964 -21.668  31.814  1.00 36.12       546 O
ATOM  *****  O   HOH A 547       1.197  22.896  -1.337  1.00 30.47       547 O
ATOM  *****  O   HOH A 548       2.616   9.332 -21.354  1.00 41.95       548 O
ATOM  *****  O   HOH A 549      11.755  31.023  -8.546  1.00 26.42       549 O
ATOM  *****  O   HOH A 550      20.268 -18.290  26.725  1.00 24.75       550 O
ATOM  *****  O   HOH A 551       2.355  25.077 -17.014  1.00 34.53       551 O
ATOM  *****  O   HOH A 552      23.005  -7.480  34.309  1.00 32.50       552 O
ATOM  *****  O   HOH A 553       4.495   7.602  10.400  1.00 25.61       553 O
ATOM  *****  O   HOH A 554       2.211  -9.207  18.556  1.00 21.21       554 O
ATOM  *****  O   HOH A 555      22.966  26.807   0.058  1.00 33.66       555 O
ATOM  *****  O   HOH A 556       9.626  19.821  -0.538  1.00 21.66       556 O
ATOM  *****  O   HOH A 557       8.562  24.461 -11.752  1.00 24.82       557 O
ATOM  *****  O   HOH A 558      23.893 -14.771  27.105  1.00 18.23       558 O
ATOM  *****  O   HOH A 559       3.704   4.102 -17.925  1.00 36.10       559 O
ATOM  *****  O   HOH A 560       4.708  26.906  -8.697  1.00 31.60       560 O
ATOM  *****  O   HOH A 561       5.922   5.682   1.239  1.00 27.93       561 O
ATOM  *****  O   HOH A 562      -3.302  28.287  -8.141  1.00 27.66       562 O
ATOM  *****  O   HOH A 563      -2.170  13.247 -11.882  1.00 40.29       563 O
ATOM  *****  O   HOH A 564       8.667  28.369  -1.392  1.00 30.45       564 O
ATOM  *****  O   HOH A 565      13.101  11.203  19.328  1.00 32.60       565 O
ATOM  *****  O   HOH A 566      11.844  21.825 -16.807  1.00 33.46       566 O
ATOM  *****  O   HOH A 567       5.602 -17.557   1.831  1.00 21.86       567 O
ATOM  *****  O   HOH A 568       6.058  -8.489   8.631  1.00 18.91       568 O
ATOM  *****  O   HOH A 570      14.777 -25.829  26.623  1.00 18.32       570 O
ATOM  *****  O   HOH A 572       8.424   5.119  22.501  1.00 30.48       572 O
ATOM  *****  O   HOH A 573       9.561   6.326   5.721  1.00 13.76       573 O
ATOM  *****  O   HOH A 574       8.117 -31.378  17.187  1.00 27.42       574 O
ATOM  *****  O   HOH A 575      22.066  19.564   0.707  1.00 35.08       575 O
ATOM  *****  O   HOH A 576      -0.799   1.392  13.383  1.00 41.78       576 O
ATOM  *****  O   HOH A 577      25.400   9.295  -4.748  1.00 30.14       577 O
ATOM  *****  O   HOH A 578      11.970  21.793   2.501  1.00 40.05       578 O
ATOM  *****  O   HOH A 579      23.441  12.761  -1.506  1.00 30.03       579 O
ATOM  *****  O   HOH A 581      14.819   0.369  -2.719  1.00 24.62       581 O
ATOM  *****  O   HOH A 582      16.823 -18.639   7.751  1.00 23.58       582 O
ATOM  *****  O   HOH A 583      27.024 -10.840  12.583  1.00 41.97       583 O
ATOM  *****  O   HOH A 585      10.752  29.355   0.363  1.00 22.72       585 O
ATOM  *****  O   HOH A 586       5.561   2.518  -4.601  1.00 18.26       586 O
ATOM  *****  O   HOH A 587      -2.211  19.083 -11.412  1.00 28.92       587 O
ATOM  *****  O   HOH A 588      18.668  10.211  13.252  1.00 21.64       588 O
ATOM  *****  O   HOH A 589      26.676  23.400  -4.675  1.00 25.47       589 O
ATOM  *****  O   HOH A 590      23.005   1.952  16.067  1.00 24.53       590 O
ATOM  *****  O   HOH A 591      12.181  11.027  10.553  1.00 23.80       591 O
ATOM  *****  O   HOH A 592      14.499 -11.256  30.942  1.00 38.47       592 O
ATOM  *****  O   HOH A 593      22.395   7.400 -17.264  1.00 27.71       593 O
ATOM  *****  O   HOH A 595      17.665  27.482 -12.939  1.00 24.70       595 O
ATOM  *****  O   HOH A 596       9.428  10.129  -4.785  1.00 11.24       596 O
ATOM  *****  O   HOH A 598       2.897  10.392   0.866  1.00 40.93       598 O
ATOM  *****  O   HOH A 599       7.978   3.455  -3.403  1.00 17.93       599 O
ATOM  *****  O   HOH A 600      16.526   2.665  12.475  1.00 17.40       600 O
ATOM  *****  O   HOH A 601      19.989 -21.196  28.020  1.00 28.66       601 O
ATOM  *****  O   HOH A 602      -1.981   9.047 -10.431  1.00 29.73       602 O
ATOM  *****  O   HOH A 603      13.786  30.958  -2.424  1.00 30.42       603 O
ATOM  *****  O   HOH A 604       8.020 -24.452  25.487  1.00 18.18       604 O
ATOM  *****  O   HOH A 605      16.723   6.563  -3.749  1.00 25.26       605 O
ATOM  *****  O   HOH A 606       7.023 -22.911  20.982  1.00 16.93       606 O
ATOM  *****  O   HOH A 608      16.115 -12.821  31.945  1.00 28.92       608 O
ATOM  *****  O   HOH A 609       9.995 -25.581  22.121  1.00 17.44       609 O
ATOM  *****  O   HOH A 610      -4.500  23.692  -2.662  1.00 41.73       610 O
ATOM  *****  O   HOH A 611      24.267  -0.387  13.391  1.00 33.99       611 O
ATOM  *****  O   HOH A 612      20.020 -26.559  17.774  1.00 46.35       612 O
ATOM  *****  O   HOH A 613      22.764   1.882   5.295  1.00 40.64       613 O
ATOM  *****  O   HOH A 614      22.018   6.776   0.265  1.00 38.79       614 O
ATOM  *****  O   HOH A 615      15.088  -4.879   0.341  1.00 20.24       615 O
ATOM  *****  O   HOH A 616      13.080  19.297   3.077  1.00 27.68       616 O
ATOM  *****  O   HOH A 617       9.907  32.896  -5.431  1.00 34.49       617 O
ATOM  *****  O   HOH A 619      11.395  31.725  -2.124  1.00 25.45       619 O
ATOM  *****  O   HOH A 620       3.057  28.428  -3.441  1.00 30.34       620 O
ATOM  *****  O   HOH A 621      10.984 -24.663   2.867  1.00 26.16       621 O
ATOM  *****  O   HOH A 622       1.788  11.329  -5.716  1.00 19.21       622 O
ATOM  *****  O   HOH A 624      30.450  20.776  -5.698  1.00 35.92       624 O
ATOM  *****  O   HOH A 625      22.975   3.035   9.493  1.00 29.13       625 O
ATOM  *****  O   HOH A 627      27.146  26.129 -11.192  1.00 39.68       627 O
ATOM  *****  O   HOH A 628      14.598  26.154   4.437  1.00 27.26       628 O
ATOM  *****  O   HOH A 629       3.744   9.404  14.789  1.00 35.77       629 O
ATOM  *****  O   HOH A 631      24.077 -15.636  21.454  1.00 31.57       631 O
ATOM  *****  O   HOH A 632      26.033  20.522 -13.695  1.00 24.42       632 O
ATOM  *****  O   HOH A 634      13.970  -2.637  -9.882  1.00 49.53       634 O
ATOM  *****  O   HOH A 635       8.249 -28.256   6.636  1.00 24.65       635 O
ATOM  *****  O   HOH A 636      15.478  -5.527  20.416  1.00 14.83       636 O
ATOM  *****  O   HOH A 637       2.523 -19.561  21.646  1.00 22.09       637 O
ATOM  *****  O   HOH A 638      18.585  -7.589   6.106  1.00 17.63       638 O
ATOM  *****  O   HOH A 639      22.366  -0.461  18.067  1.00 18.40       639 O
ATOM  *****  O   HOH A 641       7.021  19.629  -0.645  1.00 37.43       641 O
ATOM  *****  O   HOH A 643      -5.210  13.716  -3.840  1.00 29.08       643 O
ATOM  *****  O   HOH A 644      24.677  -7.713  26.249  1.00 34.10       644 O
ATOM  *****  O   HOH A 645      20.432  -1.397  23.969  1.00 33.28       645 O
ATOM  *****  O   HOH A 646      21.388  10.528 -16.936  1.00 19.91       646 O
ATOM  *****  O   HOH A 647       3.975 -11.833  -2.457  1.00 20.48       647 O
ATOM  *****  O   HOH A 648      13.816  15.015  12.604  1.00 30.21       648 O
ATOM  *****  O   HOH A 649      13.346 -24.274   3.916  1.00 27.84       649 O
ATOM  *****  O   HOH A 650      20.127  10.320  15.672  1.00 19.62       650 O
ATOM  *****  O   HOH A 651      27.136  16.950  -6.672  1.00 23.56       651 O
ATOM  *****  O   HOH A 652      -0.306  19.556 -15.578  1.00 32.77       652 O
ATOM  *****  O   HOH A 653      30.082  25.044 -10.637  1.00 27.84       653 O
ATOM  *****  O   HOH A 654      -2.476  16.346  -9.526  1.00 22.09       654 O
ATOM  *****  O   HOH A 655      24.941 -13.645   9.463  1.00 30.75       655 O
ATOM  *****  O   HOH A 657      22.295 -18.077  38.591  1.00 29.20       657 O
ATOM  *****  O   HOH A 658       0.657  26.312  -2.233  1.00 29.55       658 O
ATOM  *****  O   HOH A 659      20.969   6.361  20.372  1.00 38.45       659 O
ATOM  *****  O   HOH A 660      12.231 -32.703  16.885  1.00 24.20       660 O
ATOM  *****  O   HOH A 661       1.672  14.055   0.848  1.00 41.46       661 O
ATOM  *****  O   HOH A 662      13.819   4.391 -20.591  1.00 29.04       662 O
ATOM  *****  O   HOH A 663      19.507  -6.434  32.261  1.00 30.55       663 O
ATOM  *****  O   HOH A 664      13.702   5.203  23.199  1.00 36.40       664 O
ATOM  *****  O   HOH A 666      21.504  21.665 -18.659  1.00 17.06       666 O
ATOM  *****  O   HOH A 667      20.141 -20.005  16.676  1.00 32.50       667 O
ATOM  *****  O   HOH A 668      24.967   0.401   6.046  1.00 42.43       668 O
ATOM  *****  O   HOH A 669       2.328   5.444 -16.166  1.00 45.10       669 O
ATOM  *****  O   HOH A 671      13.826  17.015  10.533  1.00 28.68       671 O
ATOM  *****  O   HOH A 672       3.860 -10.492 -16.172  1.00 40.88       672 O
ATOM  *****  O   HOH A 673      24.476  -4.121  16.526  1.00 33.59       673 O
ATOM  *****  O   HOH A 674       0.245   1.024  20.729  1.00 37.45       674 O
ATOM  *****  O   HOH A 675      21.991  16.441   4.043  1.00 33.19       675 O
ATOM  *****  O   HOH A 676      23.217  -5.482  26.350  1.00 28.46       676 O
ATOM  *****  O   HOH A 677      28.583  10.498  -7.864  1.00 32.87       677 O
ATOM  *****  O   HOH A 678      16.160 -27.772  23.820  1.00 22.60       678 O
ATOM  *****  O   HOH A 679      26.358 -10.705  17.640  1.00 30.48       679 O
ATOM  *****  O   HOH A 680      22.666  -2.258  16.252  1.00 20.93       680 O
ATOM  *****  O   HOH A 681      22.346  -3.083  25.637  1.00 44.50       681 O
ATOM  *****  O   HOH A 683       4.127 -22.058   6.815  1.00 20.04       683 O
ATOM  *****  O   HOH A 684       3.736 -17.246  20.870  1.00 18.62       684 O
ATOM  *****  O   HOH A 685       1.285 -16.740  12.278  1.00 30.44       685 O
ATOM  *****  O   HOH A 686      21.582  30.609 -10.359  1.00 31.84       686 O
ATOM  *****  O   HOH A 687      11.857 -29.533   8.342  1.00 21.63       687 O
ATOM  *****  O   HOH A 688      26.133 -11.216   9.528  1.00 38.29       688 O
ATOM  *****  O   HOH A 689      27.604  21.683 -11.563  1.00 17.70       689 O
ATOM  *****  O   HOH A 690      -1.804 -15.324   2.505  1.00 33.53       690 O
ATOM  *****  O   HOH A 691      -0.212  16.226  -0.192  0.50 13.34       691 O
ATOM  *****  O   HOH A 692      25.136  16.408 -14.269  1.00 23.80       692 O
ATOM  *****  O   HOH A 693      21.106  16.841 -17.535  1.00 18.51       693 O
ATOM  *****  O   HOH A 694      20.913 -22.614  21.956  1.00 21.75       694 O
ATOM  *****  O   HOH A 695       8.249 -10.950  30.199  1.00 37.30       695 O
ATOM  *****  O   HOH A 696       6.318   2.221  -7.597  1.00 17.21       696 O
ATOM  *****  O   HOH A 697      18.271 -23.815  25.964  1.00 21.54       697 O
ATOM  *****  O   HOH A 698      27.334  20.523  -5.267  1.00 22.90       698 O
ATOM  *****  O   HOH A 699      23.483  -5.784   2.100  1.00 24.31       699 O
ATOM  *****  O   HOH A 700      21.295  -1.546  20.449  1.00 20.50       700 O
ATOM  *****  O   HOH A 701       8.252  17.283   0.800  1.00 34.11       701 O
ATOM  *****  O   HOH A 702      19.915  -0.182  -1.033  1.00 41.41       702 O
ATOM  *****  O   HOH A 703      27.489  -7.558  11.635  1.00 35.93       703 O
ATOM  *****  O   HOH A 704       7.273  -8.292 -15.591  1.00 40.81       704 O
ATOM  *****  O   HOH A 705       3.316  22.369 -19.221  1.00 37.13       705 O
ATOM  *****  O   HOH A 706      19.996  14.213 -18.779  1.00 30.14       706 O
ATOM  *****  O   HOH A 707      11.960 -29.767  22.527  1.00 23.68       707 O
ATOM  *****  O   HOH A 708      19.180  12.578  -3.512  1.00 15.50       708 O
ATOM  *****  O   HOH A 709       7.303  11.462   0.847  1.00 40.63       709 O
ATOM  *****  O   HOH A 710       2.703  30.199 -11.023  1.00 38.42       710 O
ATOM  *****  O   HOH A 711       6.403 -13.787  -9.402  1.00 35.87       711 O
ATOM  *****  O   HOH A 712      18.227  24.836   5.952  1.00 44.23       712 O
ATOM  *****  O   HOH A 713      26.514  27.034  -8.813  1.00 28.61       713 O
ATOM  *****  O   HOH A 714      25.000  -7.022  23.062  1.00 35.41       714 O
ATOM  *****  O   HOH A 715      21.320 -13.196   2.293  1.00 25.51       715 O
ATOM  *****  O   HOH A 716      10.798 -16.905  30.105  1.00 39.55       716 O
ATOM  *****  O   HOH A 717      -0.325 -15.140   7.570  1.00 36.84       717 O
ATOM  *****  O   HOH A 718      28.628  14.088  -7.900  1.00 38.44       718 O
ATOM  *****  O   HOH A 719      11.226  15.274   4.822  1.00 34.70       719 O
ATOM  *****  O   HOH A 720      17.511   4.651  -7.230  1.00 65.57       720 O
ATOM  *****  O   HOH A 721      -5.720  24.249  -7.651  1.00 20.33       721 O
ATOM  *****  O   HOH A 722      24.802  13.621 -17.177  1.00 22.01       722 O
ATOM  *****  O   HOH A 723      14.172  14.136  17.460  1.00 44.32       723 O
ATOM  *****  O   HOH A 725      -3.180  21.328  -9.976  1.00 32.72       725 O
ATOM  *****  O   HOH A 727      18.805   9.419   0.890  1.00 35.73       727 O
ATOM  *****  O   HOH A 728      18.607  30.722  -7.231  1.00 43.23       728 O
ATOM  *****  O   HOH A 730      18.506 -16.208  -2.829  1.00 37.35       730 O
ATOM  *****  O   HOH A 731      18.287   5.893  -5.464  1.00 44.01       731 O
ATOM  *****  O   HOH A 732      -2.408  10.532  -8.428  1.00 39.04       732 O
ATOM  *****  O   HOH A 733      20.380 -25.212  22.450  1.00 26.58       733 O
ATOM  *****  O   HOH A 734      20.761 -17.798  10.526  1.00 39.09       734 O
ATOM  *****  O   HOH A 735      15.992  24.849   7.989  1.00 39.80       735 O
ATOM  *****  O   HOH A 736      18.044  28.155   4.609  1.00 41.38       736 O
ATOM  *****  O   HOH A 737      -1.700   5.596  -2.325  1.00 40.61       737 O
ATOM  *****  O   HOH A 738       3.049   2.197  25.062  1.00 34.80       738 O
ATOM  *****  O   HOH A 740      26.167  -5.375  18.175  1.00 42.25       740 O
ATOM  *****  O   HOH A 741       0.029 -27.076  18.212  1.00 35.81       741 O
ATOM  *****  O   HOH A 742       1.301   2.221   0.463  1.00 36.68       742 O
ATOM  *****  O   HOH A 744       8.359  -7.921  -8.358  1.00 42.83       744 O
ATOM  *****  O   HOH A 745      12.841  22.621   5.968  1.00 27.99       745 O
ATOM  *****  O   HOH A 746      22.098 -18.223  23.670  1.00 43.48       746 O
ATOM  *****  O   HOH A 747      23.832 -20.565  20.856  1.00 47.01       747 O
ATOM  *****  O   HOH A 748      28.068   9.381  -4.961  1.00 36.22       748 O
ATOM  *****  O   HOH A 749       2.724 -18.026   1.330  1.00 28.84       749 O
ATOM  *****  O   HOH A 750      17.158 -18.639  -0.872  1.00 30.50       750 O
ATOM  *****  O   HOH A 751      20.698 -22.201  17.497  1.00 22.78       751 O
ATOM  *****  O   HOH A 752      13.738  19.305   7.197  1.00 39.18       752 O
ATOM  *****  O   HOH A 753       6.410 -22.688  -1.146  1.00 32.00       753 O
ATOM  *****  O   HOH A 754      26.440   0.736   8.619  1.00 33.89       754 O
ATOM  *****  O   HOH A 755      12.993  24.152   3.925  1.00 40.20       755 O
ATOM  *****  O   HOH A 756      11.119  20.860 -19.122  1.00 34.95       756 O
ATOM  *****  O   HOH A 757      14.566 -29.029   9.893  1.00 32.25       757 O
ATOM  *****  O   HOH A 759      20.322   5.822 -19.061  1.00 37.51       759 O
ATOM  *****  O   HOH A 761      18.957 -18.283   0.894  1.00 42.75       761 O
ATOM  *****  O   HOH A 762      18.145 -20.125  33.497  1.00 49.92       762 O
ATOM  *****  O   HOH A 763      21.660 -23.403  15.347  1.00 34.54       763 O
ATOM  *****  O   HOH A 764      20.770  25.251   5.419  1.00 40.47       764 O
ATOM  *****  O   HOH A 765      24.894 -11.644  35.349  1.00 25.74       765 O
ATOM  *****  O   HOH A 766      25.836  23.050  -1.885  1.00 36.69       766 O
ATOM  *****  O   HOH A 767      21.683  -7.429   6.037  1.00 31.57       767 O
ATOM  *****  O   HOH A 768      24.681  10.303  -2.328  1.00 38.51       768 O
ATOM  *****  O   HOH A 769       0.719 -17.354   3.032  1.00 42.95       769 O
ATOM  *****  O   HOH A 770      16.906 -10.363  -5.659  1.00 46.80       770 O
ATOM  *****  O   HOH A 771      18.352 -22.997  32.876  1.00 39.09       771 O
ATOM  *****  O   HOH A 772      -2.681  -1.861  11.465  1.00 34.55       772 O
ATOM  *****  O   HOH A 773      18.556  17.592  14.193  1.00 38.63       773 O
ATOM  *****  O   HOH A 774       5.616  10.879  12.192  1.00 48.75       774 O
ATOM  *****  O   HOH A 775      19.107   8.181  -2.395  1.00 45.72       775 O
ATOM  *****  O   HOH A 776      24.036   7.076  -5.419  1.00 40.50       776 O
ATOM  *****  O   HOH A 777      22.862  -1.370  22.652  1.00 32.31       777 O
ATOM  *****  O   HOH A 778      16.513  -4.644  -1.829  1.00 28.61       778 O
ATOM  *****  O   HOH A 779      16.394  -2.241  -2.703  1.00 38.20       779 O
ATOM  *****  O   HOH A 780      17.867  15.265 -23.196  1.00 32.16       780 O
ATOM  *****  O   HOH A 781      15.870  17.891  13.376  1.00 47.51       781 O
ATOM  *****  O   HOH A 782      10.844 -33.052  13.055  1.00 42.81       782 O
ATOM  *****  O   HOH A 783      -4.821 -11.915   5.002  1.00 33.65       783 O
ATOM  *****  O   HOH A 784      21.946 -14.333   8.850  1.00 43.79       784 O
ATOM  *****  O   HOH A 785      20.898 -20.314  14.312  1.00 28.30       785 O
ATOM  *****  O   HOH A 786      18.053  -7.510  35.540  1.00 39.42       786 O
ATOM  *****  O   HOH A 787      22.303 -22.851  19.616  1.00 29.62       787 O
ATOM  *****  O   HOH A 788      19.458  10.758  -1.543  1.00 22.27       788 O
ATOM  *****  O   HOH A 789      20.004  22.329   9.440  1.00 45.96       789 O
ATOM  *****  O   HOH A 790       6.322   2.684  29.436  1.00 38.89       790 O
ATOM  *****  O   HOH A 791      11.900   2.530  23.681  1.00 42.15       791 O
ATOM  *****  O   HOH A 792      10.745 -34.423  20.936  1.00 46.72       792 O
ATOM  *****  O   HOH A 793      20.613 -16.244   4.984  1.00 33.00       793 O
ATOM  *****  O   HOH A 794      20.005  14.654 -21.454  1.00 33.79       794 O
ATOM  *****  O   HOH A 796      20.761   6.493  -5.459  1.00 33.72       796 O
ATOM  *****  O   HOH A 797       6.206  21.756  -1.871  1.00 27.47       797 O
ATOM  *****  O   HOH A 798      13.844 -27.567  25.235  1.00 19.33       798 O
ATOM  *****  O   HOH A 799      24.905  -4.200  20.251  1.00 31.49       799 O
ATOM  *****  O   HOH A 800      23.079   5.127  -1.566  1.00 49.20       800 O
ATOM  *****  O   HOH A 803      17.394 -25.985  27.332  1.00 23.65       803 O
ATOM  *****  O   HOH A 805      -3.773  25.973 -11.718  1.00 45.56       805 O
ATOM  *****  O   HOH A 806      22.735 -16.824  25.843  1.00 28.85       806 O
ATOM  *****  O   HOH A 807      20.396  -8.301  34.051  1.00 38.83       807 O
ATOM  *****  O   HOH A 808       3.457 -29.900  20.043  1.00 44.35       808 O
ATOM  *****  O   HOH A 809      10.742 -27.265   2.910  1.00 29.71       809 O
ATOM  *****  O   HOH A 810       5.088   1.172  26.313  1.00 32.25       810 O
ATOM  *****  O   HOH A 811      16.221 -29.789  22.095  1.00 33.24       811 O
ATOM  *****  O   HOH A 812      25.655  21.344 -16.560  1.00 36.88       812 O
ATOM  *****  O   HOH A 813       5.014  20.032 -21.184  1.00 71.20       813 O
ATOM  *****  O   HOH A 814      -2.337   0.265  20.604  1.00 39.38       814 O
ATOM  *****  O   HOH A 815      21.233 -26.031  24.826  1.00 33.66       815 O
ATOM  *****  O   HOH A 816      11.796 -33.915  24.123  1.00 22.52       816 O
ATOM  *****  O   HOH A 817      21.802  12.688 -18.119  1.00 23.77       817 O
ATOM  *****  O   HOH A 819      -4.845  26.340  -9.287  1.00 25.59       819 O
ATOM  *****  O   HOH A 821      16.169  13.646  23.694  1.00 32.27       821 O
ATOM  *****  O   HOH A 822      10.284  22.585   0.410  1.00 32.64       822 O
ATOM  *****  O   HOH A 823      23.649  16.250 -16.536  1.00 23.95       823 O
ATOM  *****  O   HOH A 825      14.047 -31.382  21.450  1.00 34.54       825 O
ATOM  *****  O   HOH A 826      15.253 -31.983  16.418  1.00 36.26       826 O
ATOM  *****  O   HOH A 828      24.707  17.875 -18.664  1.00 23.41       828 O
ATOM  *****  O   HOH A 829      25.522  16.144 -20.485  1.00 31.92       829 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.
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The line in the input file that created this problem is:
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The line in the input file that created this problem is:
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The line in the input file that created this problem is:
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The line in the input file that created this problem is:
ERROR reading coordinate file. WHAT IF is trying to recover.
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The line in the input file that created this problem is:
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ERROR reading coordinate file. WHAT IF is trying to recover.
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The line in the input file that created this problem is:
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ERROR reading coordinate file. WHAT IF is trying to recover.
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The line in the input file that created this problem is:
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The line in the input file that created this problem is:
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The line in the input file that created this problem is:
ERROR reading coordinate file. WHAT IF is trying to recover.
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The line in the input file that created this problem is:
ERROR reading coordinate file. WHAT IF is trying to recover.
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The line in the input file that created this problem is:
ERROR reading coordinate file. WHAT IF is trying to recover.
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The line in the input file that created this problem is:
ERROR reading coordinate file. WHAT IF is trying to recover.
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The line in the input file that created this problem is:
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The line in the input file that created this problem is:
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The line in the input file that created this problem is:
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The line in the input file that created this problem is:
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The line in the input file that created this problem is:
ERROR reading coordinate file. WHAT IF is trying to recover.
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The line in the input file that created this problem is:
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The line in the input file that created this problem is:
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The line in the input file that created this problem is:
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The line in the input file that created this problem is:
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The line in the input file that created this problem is:
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The line in the input file that created this problem is:
ERROR reading coordinate file. WHAT IF is trying to recover.
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The line in the input file that created this problem is:
ERROR reading coordinate file. WHAT IF is trying to recover.
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The line in the input file that created this problem is:
ERROR reading coordinate file. WHAT IF is trying to recover.
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The line in the input file that created this problem is:
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The line in the input file that created this problem is:
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The line in the input file that created this problem is:
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The line in the input file that created this problem is:
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ERROR reading coordinate file. WHAT IF is trying to recover.
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The line in the input file that created this problem is:
ERROR reading coordinate file. WHAT IF is trying to recover.
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The line in the input file that created this problem is:
ERROR reading coordinate file. WHAT IF is trying to recover.
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ERROR reading coordinate file. WHAT IF is trying to recover.
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# 2 # Note: Header records from PDB file
Header records from PDB file.
 
HEADER                                                        5REK
 
# 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
  0.008889  0.000000  0.002037
  0.000000  0.018973  0.000000
  0.000000  0.000000  0.023065
 
# 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: C 1 2 1
 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: 33503.727
 Volume of the Unit Cell V= 257088.922
 Space group multiplicity: 4
 No NCS symmetry matrices (MTRIX records) found in PDB file
 Matthews coefficient for observed atoms and Z is high: Vm= 7.673
 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= 1.918
 
# 7 # 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.
 
# 8 # 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.
 
# 9 # 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.
 
  305 DMS  ( 401-) A  -
  306 DMS  ( 402-) A  -
  307 DMS  ( 403-) A  -
  308 T1Y  ( 404-) A  -
 
# 10 # Note: Covalently bound ligands
No problems were detected that seem related to covalently bound ligands.
 
# 11 # Note: No strange inter-chain connections detected
No covalent bonds have been detected between molecules with non-identical
chain identifiers.
 
# 12 # Note: No duplicate atom names in ligands
All atom names in ligands (if any) seem adequately unique.
 
# 13 # 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).
 
# 14 # 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).
 
# 15 # Note: No attached groups interfere with hydrogen bond calculations
It seems there are no sugars, lipids, etc., bound (or very close) to atoms
that otherwise could form hydrogen bonds.
 
# 16 # 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.
 
# 17 # 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.
 
# 18 # Note: All residues have a complete backbone.
No residues have missing backbone atoms.
 
# 19 # Note: No C-alpha only residues
There are no residues that consist of only an alpha carbon atom.
 
# 20 # 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)   304 (  304) A Protein             To check
     2   305 (  401)   305 (  401) A DMS                 To check
     3   306 (  402)   306 (  402) A DMS                 To check
     4   307 (  403)   307 (  403) A DMS                 To check
     5   308 (  404)   308 (  404) A T1Y                 To check
     6   309 ( HOH )   309 ( HOH ) A water   (    1)     To check
MODELs skipped upon reading PDB file: 0
X-ray structure. No MODELs found
The total number of amino acids found is 304.
No nucleic acids observed in input file
No sugars recognized in input file
Number of water molecules: 1
Residue numbers increase monotonously OK
ERROR. File not found:
TAPEOUT.DAT
 
# 21 # 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
 
# 22 # 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 SGFRKMAFPSGKVEGCMVQVTCGTTTLNGLWLDDVVYCPRHVICTSEDMLNPNYEDLLIR
(   1)-(  60)
                     70        80        90       100       110       120
                      |         |         |         |         |         |
   61 -  120 KSNHNFLVQAGNVQLRVIGHSMQNCVLKLKVDTANPKTPKYKFVRIQPGQTFSVLACYNG
(  61)-( 120)
                    130       140       150       160       170       180
                      |         |         |         |         |         |
  121 -  180 SPSGVYQCAMRPNFTIKGSFLNGSCGSVGFNIDYDCVSFCYMHHMELPTGVHAGTDLEGN
( 121)-( 180)
                    190       200       210       220       230       240
                      |         |         |         |         |         |
  181 -  240 FYGPFVDRQTAQAAGTDTTITVNVLAWLYAAVINGDRWFLNRFTTTLNDFNLVAMKYNYE
( 181)-( 240)
                    250       260       270       280       290       300
                      |         |         |         |         |         |
  241 -  300 PLTQDHVDILGPLSAQTGIAVLDMCASLKELLQNGMNGRTILGSALLEDEFTPFDVVRQC
( 241)-( 300)
 
 
  301 -  304 SGVT
( 301)-( 304)
 
 
 
 
# 23 # Note: No rounded coordinates detected
No significant rounding of atom coordinates has been detected.
 
# 24 # 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.
 
# 25 # 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.
 
# 26 # Note: All B-factors fall in the range 0.0 - 100.0
All B-factors are larger than zero, and none are observed above 100.0.
 
# 27 # 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.
 
  304 THR  ( 304-) A  -        -OXT
 
# 28 # Note: Weights administratively correct
All atomic occupancy factors ('weights') fall in the 0.0--1.0 range, which
makes them administratively correct.
 
# 29 # 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.
 
# 30 # Warning: Occupancy atoms do not add up to 1.0.
In principle, the occupancy of all alternates of one atom should add up till
1.0. A valid exception is the missing atom (i.e. an atom not seen in the
electron density) that is allowed to have a 0.0 occupancy. Sometimes this
even happens when there are no alternate atoms given...
 
Atoms want to move. That is the direct result of the second law of
thermodynamics, in a somewhat weird way of thinking. Any way, many atoms
seem to have more than one position where they like to sit, and they jump
between them. The population difference between those sites (which is related
to their energy differences) is seen in the occupancy factors. As also for
atoms it is 'to be or not to be', these occupancies should add up to 1.0.
Obviously, it is possible that they add up to a number less than 1.0, in
cases where there are yet more, but undetected' rotamers/positions in play,
but also in those cases a warning is in place as the information shown
in the PDB file is less certain than it could have been. The residues
listed below contain atoms that have an occupancy greater than zero, but
their alternates do not add up to one. 'Strange' is added as a comment when
we believe that the structure shows no obvious reasons why this residue
should have a reduced occupancy.
 
WARNING. Presently WHAT CHECK only deals with a maximum of two alternate
positions. A small number of atoms in the PDB has three alternates. In
those cases the warning given here should obviously be neglected!
In a next release we will try to fix this.
 
   73 VAL  (  73-) A  -   0.50
  216 ASP  ( 216-) A  -   0.50
  221 ASN  ( 221-) A  -   0.50
 
# 31 # 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
 
# 32 # 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
 
# 33 # Note: B-factor distribution normal
The distribution of B-factors within residues is within expected ranges.
A value over 1.5 here would mean that the B-factors show signs of
over-refinement.
 
RMS Z-score :  0.717 over    2096 bonds
Average difference in B over a bond :    1.75
RMS difference in B over a bond :    2.61
 
# 34 # 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
 
# 35 # 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.
 
# 36 # Note: Valine nomenclature OK
No errors were detected in valine nomenclature.
 
# 37 # Note: Threonine nomenclature OK
No errors were detected in threonine nomenclature.
 
# 38 # Note: Isoleucine nomenclature OK
No errors were detected in isoleucine nomenclature.
 
# 39 # Note: Leucine nomenclature OK
No errors were detected in leucine nomenclature.
 
# 40 # Note: Arginine nomenclature OK
No errors were detected in arginine nomenclature.
 
# 41 # Note: Tyrosine torsion conventions OK
No errors were detected in tyrosine torsion angle conventions.
 
# 42 # Note: Phenylalanine torsion conventions OK
No errors were detected in phenylalanine torsion angle conventions.
 
# 43 # Note: Aspartic acid torsion conventions OK
No errors were detected in aspartic acid torsion angle conventions.
 
# 44 # Note: Glutamic acid torsion conventions OK
No errors were detected in glutamic acid torsion angle conventions.
 
# 45 # 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).
 
# 46 # 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.
 
# 47 # Note: No decreasing residue numbers
All residue numbers are strictly increasing within each chain.
 
# 48 # 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]).
 
# 49 # 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: 0.323
 RMS-deviation in bond distances: 0.007
 
# 50 # 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.
 
# 51 # 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.
 
# 52 # 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: 0.597
 RMS-deviation in bond angles: 1.116
 
# 53 # Note: Residue hand check OK
No atoms are observed that have the wrong handedness. Be aware, though, that
WHAT CHECK might have corrected the handedness of some atoms already. The
handedness has not been corrected for any case where the problem is worse
than just an administrative discomfort.
 
# 54 # Note: Chirality OK
All protein atoms have proper chirality, or there is no intact protein
present in the PDB file.
The average deviation= 0.555
 
# 55 # 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 : 0.443
 
# 56 # Note: Tau angles OK
All of the tau angles (N-C-alpha-C) of amino acids fall within expected
RMS deviations.
 
# 57 # Note: Normal tau angle deviations
The RMS Z-score for the tau angles (N-C-alpha-C) in the structure falls
within the normal range that we guess to be 0.5 - 1.5. Be aware, we
determined the tau normal distributions from 500 high-resolution X-ray
structures, rather than from CSD data, so we cannot be 100 percent certain
about these numbers.
 
 Tau angle RMS Z-score : 0.774
 
# 58 # Note: Side chain planarity OK
All of the side chains of residues that have an intact planar group are
planar within expected RMS deviations.
 
# 59 # 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.
 
# 60 # Note: Ramachandran Z-score OK
The score expressing how well the backbone conformations of all residues
correspond to the known allowed areas in the Ramachandran plot is within
expected ranges for well-refined structures.
 
 Ramachandran Z-score : -2.408
 
# 61 # 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.
 
# 62 # 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.
 
  225 THR  ( 225-) A  -   -3.0
  154 TYR  ( 154-) A  -   -2.6
  184 PRO  ( 184-) A  -   -2.5
  286 LEU  ( 286-) A  -   -2.2
  190 THR  ( 190-) A  -   -2.2
   27 LEU  (  27-) A  -   -2.2
  177 LEU  ( 177-) A  -   -2.1
 
# 63 # 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.
 
    2 GLY  (   2-) A  - Poor phi/psi
    5 LYS  (   5-) A  - omega poor
    8 PHE  (   8-) A  - Omega to (next) Pro poor
   23 GLY  (  23-) A  - Poor phi/psi
   33 ASP  (  33-) A  - Poor phi/psi
   38 CYS  (  38-) A  - Omega to (next) Pro poor
   44 CYS  (  44-) A  - omega poor
   51 ASN  (  51-) A  - Omega to (next) Pro poor
   71 GLY  (  71-) A  - Poor phi/psi
   79 GLY  (  79-) A  - Poor phi/psi
   84 ASN  (  84-) A  - Poor phi/psi
   95 ASN  (  95-) A  - Omega to (next) Pro poor
   98 THR  (  98-) A  - Omega to (next) Pro poor
   99 PRO  (  99-) A  - omega poor
  107 GLN  ( 107-) A  - Omega to (next) Pro poor
And so on for a total of    47 lines.
 
# 64 # 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.
 
   27 LEU  (  27-) A  -    -1.32
  177 LEU  ( 177-) A  -    -1.31
  286 LEU  ( 286-) A  -    -1.31
  227 LEU  ( 227-) A  -    -1.30
   58 LEU  (  58-) A  -    -1.18
  181 PHE  ( 181-) A  -    -1.13
  200 ILE  ( 200-) A  -    -1.15
  235 MET  ( 235-) A  -    -1.12
  242 LEU  ( 242-) A  -    -1.11
  268 LEU  ( 268-) A  -    -1.16
    4 ARG  (   4-) A  -    -1.01
   82 MET  (  82-) A  -    -1.05
  165 MET  ( 165-) A  -    -1.04
  223 PHE  ( 223-) A  -    -1.01
  236 LYS  ( 236-) A  -    -1.01
And so on for a total of    95 lines.
 
# 65 # 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 : -0.980
 
# 66 # 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.
 
  140 PHE  ( 140-) A  -   0.36
  162 MET  ( 162-) A  -   0.38
  267 SER  ( 267-) A  -   0.39
  102 LYS  ( 102-) A  -   0.39
 
# 67 # 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!
 
   85 CYS  (  85-) A  -       0
  182 TYR  ( 182-) A  -       0
  276 MET  ( 276-) A  -       0
  154 TYR  ( 154-) A  -       1
  165 MET  ( 165-) A  -       1
 
# 68 # 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 : -0.305
 
# 69 # Note: Omega angle restraint OK
The omega angles for trans-peptide bonds in a structure is expected to give a
gaussian distribution with the average around +178 degrees, and a standard
deviation around 5.5. In the current structure the standard deviation agrees
with this expectation.
 
Omega average and std. deviation= 178.150 6.461
 
# 70 # Note: PRO puckering amplitude OK
Puckering amplitudes for all PRO residues are within normal ranges.
 
# 71 # Note: PRO puckering phases OK
Puckering phases for all PRO residues are normal
 
# 72 # Note: Backbone oxygen evaluation OK
All residues for which similar local backbone conformations could be found
in the WHAT CHECK database have a backbone oxygen position that has been
observed at least a few times in that database.
 
# 73 # Note: Peptide bond conformations
There was no need to complain about the peptide bond of a single amino acid.
 
# 74 # Error: Abnormally short interatomic distances
The pairs of atoms listed in the table below have an unusually short
interactomic distance; each bump is listed in only one direction.
 
The contact distances of all atom pairs have been checked. Two atoms are
said to `bump' if they are closer than the sum of their Van der Waals radii
minus 0.40 Angstrom. For hydrogen bonded pairs a tolerance of 0.55 Angstrom
is used. The first number in the table tells you how much shorter that
specific contact is than the acceptable limit. The second distance is the
distance between the centres of the two atoms. Although we believe that two
water atoms at 2.4 A distance are too close, we only report water pairs that
are closer than this rather short distance.
 
INTRA and INTER indicate whether the clashes are between atoms in the same
asymmetric unit, or atoms in symmetry related asymmetric units, respectively.
The last text-item on each line represents the status of the atom pair. If
the final column contains the text 'HB', the bump criterion was relaxed
because there could be a hydrogen bond. Similarly relaxed criteria are used
for 1--3 and 1--4 interactions (listed as 'B2' and 'B3', respectively).
If the last column is 'BF', the sum of the B-factors of the atoms is higher
than 80, which makes the appearance of the bump somewhat less severe because
the atoms probably are not there anyway. BL, on the other hand, indicates
that the bumping atoms both have a low B-factor, and that makes the bumps
more worrisome.
 
Bumps between atoms for which the sum of their occupancies is lower than one
are not reported. If the MODEL number does not exist (as is the case in most
X-ray files), a minus sign is printed instead.
 
  138 GLY  ( 138-) A  -    N   <-->   172 HIS  ( 172-) A  -    ND1    0.19    2.81  INTRA BL
  137 LYS  ( 137-) A  -    NZ  <-->   197 ASP  ( 197-) A  -    OD2    0.17    2.53  INTRA
   50 LEU  (  50-) A  -    O   <-->   188 ARG  ( 188-) A  -    NE     0.14    2.56  INTRA BF
  243 THR  ( 243-) A  -    N   <-->   246 HIS  ( 246-) A  -    ND1    0.13    2.87  INTRA BL
  126 TYR  ( 126-) A  -    CE1 <-->   128 CYS  ( 128-) A  -    SG     0.10    3.30  INTRA
   63 ASN  (  63-) A  -    OD1 <-->    80 HIS  (  80-) A  -    ND1    0.10    2.60  INTRA
   44 CYS  (  44-) A  -    SG  <-->    54 TYR  (  54-) A  -    CE1    0.09    3.31  INTRA
  210 ALA  ( 210-) A  -    O   <-->   214 ASN  ( 214-) A  -    ND2    0.08    2.62  INTRA
  298 ARG  ( 298-) A  -    O   <-->   302 GLY  ( 302-) A  -    N      0.05    2.65  INTRA BF
  112 PHE  ( 112-) A  -    O   <-->   128 CYS  ( 128-) A  -    N      0.05    2.65  INTRA BL
   49 MET  (  49-) A  -    O   <-->   189 GLN  ( 189-) A  -    N      0.04    2.66  INTRA
  131 ARG  ( 131-) A  -    NH2 <-->   289 ASP  ( 289-) A  -    OD2    0.04    2.66  INTRA BL
  251 GLY  ( 251-) A  -    N   <-->   252 PRO  ( 252-) A  -    CD     0.03    2.97  INTRA BL
   40 ARG  (  40-) A  -    CZ  <-->    54 TYR  (  54-) A  -    CD2    0.02    3.18  INTRA BL
   16 CYS  (  16-) A  -    O   <-->    31 TRP  (  31-) A  -    N      0.01    2.69  INTRA BL
 
# 75 # 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: 1.229
Total bump value per residue: 0.049
Total number of bumps: 15
Total squared bump value: 0.143
Total number of bumps in the mildest bin: 15
Total number of bumps in the second bin: 0
Total number of bumps in the middle bin: 0
Total number of bumps in the fourth bin: 0
Total number of bumps in the worst bin: 0
 
# 76 # 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.
 
# 77 # 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 : 0.988
 
# 78 # 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
 
# 79 # 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.
 
  154 TYR  ( 154-) A  -  -6.73
  222 ARG  ( 222-) A  -  -6.36
   97 LYS  (  97-) A  -  -5.91
  189 GLN  ( 189-) A  -  -5.64
  137 LYS  ( 137-) A  -  -5.31
    6 MET  (   6-) A  -  -5.18
  105 ARG  ( 105-) A  -  -5.02
 
# 80 # Note: No series of residues with bad packing environment
There are no stretches of three or more residues each having a packing score
worse than -4.0.
 
# 81 # Note: Structural average packing environment OK
The structural average packing score is within normal ranges.
 
 
Average for range     1 -  304 :  -0.341
 
# 82 # 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
 
# 83 # 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.
 
  276 MET  ( 276-) A  -  -2.93
 
# 84 # Note: No series of residues with abnormal new packing environment
There are no stretches of four or more residues each having a packing
Z-score worse than -1.75.
ERROR. File not found:
TAPEOUT.DAT
 
# 85 # 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
 
# 86 # 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.
 
# 87 # Note: Water contacts OK
All water clusters make at least one contact with a non-water atom.
 
# 88 # Note: No waters need moving
All water molecules are sufficiently close to the asymmetric unit given in
the input file.
 
# 89 # Note: Water hydrogen bonds OK
All water molecules can form hydrogen bonds.
 
# 90 # Note: His, Asn, Gln side chains OK
All of the side chain conformations of Histidine, Asparagine and Glutamine
residues were found to be optimal for hydrogen bonding.
 
# 91 # 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.
 
   41 HIS  (  41-) A  -   HIS-E   0.43
   64 HIS  (  64-) A  -   HIS-E   0.52
   80 HIS  (  80-) A  -   HIS-E   0.50 HIS-D   0.77
  163 HIS  ( 163-) A  -   HIS-E   0.47
  164 HIS  ( 164-) A  -   HIS-E   0.58 HIS-H   0.79
  172 HIS  ( 172-) A  -   HIS-E   0.40
  246 HIS  ( 246-) A  -   HIS-E   0.42
 
# 92 # 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.
 
    4 ARG  (   4-) A  -    N
   41 HIS  (  41-) A  -    N
   93 THR  (  93-) A  -    N
  126 TYR  ( 126-) A  -    OH
  129 ALA  ( 129-) A  -    N
  133 ASN  ( 133-) A  -    N
  137 LYS  ( 137-) A  -    N
  144 SER  ( 144-) A  -    OG
  148 VAL  ( 148-) A  -    N
  152 ILE  ( 152-) A  -    N
  171 VAL  ( 171-) A  -    N
  177 LEU  ( 177-) A  -    N
  185 PHE  ( 185-) A  -    N
  214 ASN  ( 214-) A  -    ND2
  219 PHE  ( 219-) A  -    N
  288 GLU  ( 288-) A  -    N
  290 GLU  ( 290-) A  -    N
  291 PHE  ( 291-) A  -    N
  294 PHE  ( 294-) A  -    N
  298 ARG  ( 298-) A  -    NH1
 
# 93 # Note: Buried hydrogen bond acceptors OK
All buried polar side-chain hydrogen bond acceptors are involved in a
hydrogen bond in the optimized hydrogen bond network.
 
# 94 # 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: 431
- of which buried: 225
Total number of acceptors: 469
- of which buried: 188
Total number of donor+acceptors: 51
  (e.g. the Ser Ogamma that can donate and accept)
- of which buried: 14
Buried donors: 225
- without H-bond: 18
- essentially without H-bond: 0
- with only a very poor H-bond: 2
- with a poor H-bond: 4
- with a H-bond: 201
Buried acceptors: 188
- without H-bond: 31
- essentially without H-bond: 0
- with only a very poor H-bond: 1
- with a poor H-bond: 3
- with a H-bond: 153
 
# 95 # 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)   304 (  304) A Protein             To check
     2   305 (  401)   305 (  401) A DMS                 To check
     3   306 (  402)   306 (  402) A DMS                 To check
     4   307 (  403)   307 (  403) A DMS                 To check
     5   308 (  404)   308 (  404) A T1Y                 To check
     6   309 ( HOH )   309 ( HOH ) A water   (    1)     To check
 
# 96 # 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  :   1.740
  1st generation packing quality :   0.397 (          (   0.0,  2.5))
  2nd generation packing quality :  -0.339 (          (  -1.1,  1.4))
  Ramachandran plot appearance   :  -2.408 (          (  -0.5,  1.1))
  chi-1/chi-2 rotamer normality  :  -0.980 (          (  -1.8,  1.3))
  Backbone conformation          :  -0.305 (          (  -0.3,  2.9))
  Inside/Outside distribution    :   0.988
 
 RMS Z-scores, should be close to 1.0:
  Bond lengths                   :   0.323 (tight)
  Bond angles                    :   0.597 (tight)
  Omega angle restraints         :   1.175
  Side chain planarity           :   0.515 (tight)
  Improper dihedral distribution :   0.443
  B-factor distribution          :   0.717
 
# 97 # 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.
 
# 98 # 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.
 
# 99 # Error: Bumps in your structure
Upon analysing the bumps in your structure, WHAT CHECK got a bit
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.
 
# 100 # Note: Bond length variabilty Z-score low
With a resolution of 1.5-2.5 Angstrom, you might have enough data to warrant
more bond length variability that we observed (less than 0.5). If your
resolution is close to 1.5 Angstrom, you can consider allowing the refinement
software more freedom when it comes to applying the bond length target
restraints. If your resolution is close to 2.5 Angstrom, you can do this too,
but you might want to be a bit careful.
 
# 101 # 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.
 
  154 TYR  ( 154-) A  -     13.58
  222 ARG  ( 222-) A  -     12.72
  137 LYS  ( 137-) A  -     12.29
   97 LYS  (  97-) A  -     11.83
  189 GLN  ( 189-) A  -     11.46
    6 MET  (   6-) A  -     10.35
  105 ARG  ( 105-) A  -     10.04
  138 GLY  ( 138-) A  -      3.04
  172 HIS  ( 172-) A  -      3.00
  214 ASN  ( 214-) A  -      2.33
  243 THR  ( 243-) A  -      2.14
  246 HIS  ( 246-) A  -      2.14
  298 ARG  ( 298-) A  -      2.04
  126 TYR  ( 126-) A  -      1.40
  128 CYS  ( 128-) A  -      1.17
  177 LEU  ( 177-) A  -      1.08
  171 VAL  ( 171-) A  -      1.04
  290 GLU  ( 290-) A  -      1.04
==============
 
 
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.
