ChimeraX bug report submission

[chimerax-bug-report@…]

The following bug report has been submitted:
Platform:        macOS-14.4.1-arm64-arm-64bit
ChimeraX Version: 1.7.1 (2024-01-23 01:58:08 UTC)
Description
(Describe the actions that caused this problem to occur here)

Log:
Startup Messages  
---  
warning | Replacing fetcher for 'pdb_nmr' and format NMRSTAR from NMRSTAR
bundle with that from NMRSTAR bundle  
  
UCSF ChimeraX version: 1.7.1 (2024-01-23)  
© 2016-2023 Regents of the University of California. All rights reserved.  
How to cite UCSF ChimeraX  

> open /Volumes/T7/mitoneet/density.dx

Opened density.dx as #1, grid size 5,6,6, pixel 1, shown at level
-0.0002,0.0002, step 1, values float32  

> volume #1 level -0.0002 level 2.122e-05

> open /Volumes/T7/mitoneet/mitonet-peo/4.equil/mitoneet-eq.pdb

Summary of feedback from opening /Volumes/T7/mitoneet/mitonet-
peo/4.equil/mitoneet-eq.pdb  
---  
warnings | Ignored bad PDB record found on line 100001  
ATOM 186a0 H1 TIP3W3460 20.078 44.487 -18.079 0.00 0.00 WT5  
  
Ignored bad PDB record found on line 100002  
ATOM 186a1 H2 TIP3W3460 19.180 43.823 -17.057 0.00 0.00 WT5  
  
Ignored bad PDB record found on line 100003  
ATOM 186a2 OH2 TIP3W3461 51.347 -40.379 -38.022 0.00 0.00 WT5  
  
Ignored bad PDB record found on line 100004  
ATOM 186a3 H1 TIP3W3461 51.016 -40.669 -37.172 0.00 0.00 WT5  
  
Ignored bad PDB record found on line 100005  
ATOM 186a4 H2 TIP3W3461 51.339 -39.423 -37.969 0.00 0.00 WT5  
  
91 messages similar to the above omitted  
Duplicate atom serial number found: 18700  
Duplicate atom serial number found: 18701  
Duplicate atom serial number found: 18702  
Duplicate atom serial number found: 18703  
Duplicate atom serial number found: 18704  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 100107  
ATOM 1870a H2 TIP3W3497 18.691 -59.321 -16.176 0.00 0.00 WT5  
  
Ignored bad PDB record found on line 100108  
ATOM 1870b OH2 TIP3W3498 23.011 -33.457 30.685 0.00 0.00 WT5  
  
Ignored bad PDB record found on line 100109  
ATOM 1870c H1 TIP3W3498 23.153 -33.117 31.569 0.00 0.00 WT5  
  
Ignored bad PDB record found on line 100110  
ATOM 1870d H2 TIP3W3498 22.590 -34.306 30.820 0.00 0.00 WT5  
  
Ignored bad PDB record found on line 100111  
ATOM 1870e OH2 TIP3W3499 -17.774 5.554 -49.071 0.00 0.00 WT5  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 18710  
Duplicate atom serial number found: 18711  
Duplicate atom serial number found: 18712  
Duplicate atom serial number found: 18713  
Duplicate atom serial number found: 18714  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 100123  
ATOM 1871a OH2 TIP3W3503 -36.263 48.282 23.446 0.00 0.00 WT5  
  
Ignored bad PDB record found on line 100124  
ATOM 1871b H1 TIP3W3503 -37.046 48.203 22.901 0.00 0.00 WT5  
  
Ignored bad PDB record found on line 100125  
ATOM 1871c H2 TIP3W3503 -36.090 47.390 23.748 0.00 0.00 WT5  
  
Ignored bad PDB record found on line 100126  
ATOM 1871d OH2 TIP3W3504 -55.352 31.829 -35.811 0.00 0.00 WT5  
  
Ignored bad PDB record found on line 100127  
ATOM 1871e H1 TIP3W3504 -55.284 30.957 -35.421 0.00 0.00 WT5  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 18720  
Duplicate atom serial number found: 18721  
Duplicate atom serial number found: 18722  
Duplicate atom serial number found: 18723  
Duplicate atom serial number found: 18724  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 100139  
ATOM 1872a H1 TIP3W3509 -5.858 43.947 45.965 0.00 0.00 WT5  
  
Ignored bad PDB record found on line 100140  
ATOM 1872b H2 TIP3W3509 -4.694 44.537 45.198 0.00 0.00 WT5  
  
Ignored bad PDB record found on line 100141  
ATOM 1872c OH2 TIP3W3510 44.202 5.630 -45.317 0.00 0.00 WT5  
  
Ignored bad PDB record found on line 100142  
ATOM 1872d H1 TIP3W3510 43.561 6.293 -45.060 0.00 0.00 WT5  
  
Ignored bad PDB record found on line 100143  
ATOM 1872e H2 TIP3W3510 44.099 5.552 -46.266 0.00 0.00 WT5  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 18730  
Duplicate atom serial number found: 18731  
Duplicate atom serial number found: 18732  
Duplicate atom serial number found: 18733  
Duplicate atom serial number found: 18734  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 100155  
ATOM 1873a H2 TIP3W3515 24.629 -44.718 -17.460 0.00 0.00 WT5  
  
Ignored bad PDB record found on line 100156  
ATOM 1873b OH2 TIP3W3516 -28.485 23.872 -55.174 0.00 0.00 WT5  
  
Ignored bad PDB record found on line 100157  
ATOM 1873c H1 TIP3W3516 -29.058 24.592 -54.909 0.00 0.00 WT5  
  
Ignored bad PDB record found on line 100158  
ATOM 1873d H2 TIP3W3516 -27.632 24.283 -55.316 0.00 0.00 WT5  
  
Ignored bad PDB record found on line 100159  
ATOM 1873e OH2 TIP3W3517 45.593 11.138 11.418 0.00 0.00 WT5  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 18740  
Duplicate atom serial number found: 18741  
Duplicate atom serial number found: 18742  
Duplicate atom serial number found: 18743  
Duplicate atom serial number found: 18744  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 100171  
ATOM 1874a OH2 TIP3W3521 -56.294 -1.651 -23.840 0.00 0.00 WT5  
  
Ignored bad PDB record found on line 100172  
ATOM 1874b H1 TIP3W3521 -56.259 -2.465 -24.343 0.00 0.00 WT5  
  
Ignored bad PDB record found on line 100173  
ATOM 1874c H2 TIP3W3521 -56.753 -1.035 -24.412 0.00 0.00 WT5  
  
Ignored bad PDB record found on line 100174  
ATOM 1874d OH2 TIP3W3522 22.692 -9.429 -60.202 0.00 0.00 WT5  
  
Ignored bad PDB record found on line 100175  
ATOM 1874e H1 TIP3W3522 23.104 -8.662 -60.600 0.00 0.00 WT5  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 18750  
Duplicate atom serial number found: 18751  
Duplicate atom serial number found: 18752  
Duplicate atom serial number found: 18753  
Duplicate atom serial number found: 18754  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 100187  
ATOM 1875a H1 TIP3W3529 -5.707 57.892 -61.923 0.00 0.00 WT5  
  
Ignored bad PDB record found on line 100188  
ATOM 1875b H2 TIP3W3529 -5.321 59.033 -61.007 0.00 0.00 WT5  
  
Ignored bad PDB record found on line 100189  
ATOM 1875c OH2 TIP3W3530 29.226 15.778 4.302 0.00 0.00 WT5  
  
Ignored bad PDB record found on line 100190  
ATOM 1875d H1 TIP3W3530 29.805 15.666 5.056 0.00 0.00 WT5  
  
Ignored bad PDB record found on line 100191  
ATOM 1875e H2 TIP3W3530 29.673 16.419 3.749 0.00 0.00 WT5  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 18760  
Duplicate atom serial number found: 18761  
Duplicate atom serial number found: 18762  
Duplicate atom serial number found: 18763  
Duplicate atom serial number found: 18764  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 100203  
ATOM 1876a H2 TIP3W3534 -44.607 8.907 39.806 0.00 0.00 WT5  
  
Ignored bad PDB record found on line 100204  
ATOM 1876b OH2 TIP3W3535 -36.744 9.255 18.988 0.00 0.00 WT5  
  
Ignored bad PDB record found on line 100205  
ATOM 1876c H1 TIP3W3535 -37.221 9.975 19.402 0.00 0.00 WT5  
  
Ignored bad PDB record found on line 100206  
ATOM 1876d H2 TIP3W3535 -36.040 9.048 19.602 0.00 0.00 WT5  
  
Ignored bad PDB record found on line 100207  
ATOM 1876e OH2 TIP3W3536 -7.036 -23.759 -7.675 0.00 0.00 WT5  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 18770  
Duplicate atom serial number found: 18771  
Duplicate atom serial number found: 18772  
Duplicate atom serial number found: 18773  
Duplicate atom serial number found: 18774  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 100219  
ATOM 1877a OH2 TIP3W3540 20.216 5.203 42.373 0.00 0.00 WT5  
  
Ignored bad PDB record found on line 100220  
ATOM 1877b H1 TIP3W3540 21.085 5.380 42.734 0.00 0.00 WT5  
  
Ignored bad PDB record found on line 100221  
ATOM 1877c H2 TIP3W3540 20.242 4.277 42.131 0.00 0.00 WT5  
  
Ignored bad PDB record found on line 100222  
ATOM 1877d OH2 TIP3W3541 -35.102 21.231 2.122 0.00 0.00 WT5  
  
Ignored bad PDB record found on line 100223  
ATOM 1877e H1 TIP3W3541 -35.860 20.663 1.983 0.00 0.00 WT5  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 18780  
Duplicate atom serial number found: 18781  
Duplicate atom serial number found: 18782  
Duplicate atom serial number found: 18783  
Duplicate atom serial number found: 18784  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 100235  
ATOM 1878a H1 TIP3W3545 38.423 10.009 35.220 0.00 0.00 WT5  
  
Ignored bad PDB record found on line 100236  
ATOM 1878b H2 TIP3W3545 37.522 8.934 34.649 0.00 0.00 WT5  
  
Ignored bad PDB record found on line 100237  
ATOM 1878c OH2 TIP3W3546 -18.140 0.188 -48.727 0.00 0.00 WT5  
  
Ignored bad PDB record found on line 100238  
ATOM 1878d H1 TIP3W3546 -18.757 -0.496 -48.471 0.00 0.00 WT5  
  
Ignored bad PDB record found on line 100239  
ATOM 1878e H2 TIP3W3546 -17.889 0.607 -47.904 0.00 0.00 WT5  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 18790  
Duplicate atom serial number found: 18791  
Duplicate atom serial number found: 18792  
Duplicate atom serial number found: 18793  
Duplicate atom serial number found: 18794  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 100251  
ATOM 1879a H2 TIP3W3550 30.335 -9.373 53.669 0.00 0.00 WT5  
  
Ignored bad PDB record found on line 100252  
ATOM 1879b OH2 TIP3W3551 -22.674 53.484 52.536 0.00 0.00 WT5  
  
Ignored bad PDB record found on line 100253  
ATOM 1879c H1 TIP3W3551 -22.555 53.167 51.641 0.00 0.00 WT5  
  
Ignored bad PDB record found on line 100254  
ATOM 1879d H2 TIP3W3551 -21.869 53.965 52.729 0.00 0.00 WT5  
  
Ignored bad PDB record found on line 100255  
ATOM 1879e OH2 TIP3W3552 34.815 26.232 -43.220 0.00 0.00 WT5  
  
97 messages similar to the above omitted  
Duplicate atom serial number found: 18800  
Duplicate atom serial number found: 18801  
Duplicate atom serial number found: 18802  
Duplicate atom serial number found: 18803  
Duplicate atom serial number found: 18804  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 100363  
ATOM 1880a OH2 TIP3W3589 -47.541 48.711 -24.056 0.00 0.00 WT5  
  
Ignored bad PDB record found on line 100364  
ATOM 1880b H1 TIP3W3589 -46.620 48.480 -24.179 0.00 0.00 WT5  
  
Ignored bad PDB record found on line 100365  
ATOM 1880c H2 TIP3W3589 -47.530 49.649 -23.869 0.00 0.00 WT5  
  
Ignored bad PDB record found on line 100366  
ATOM 1880d OH2 TIP3W3590 25.592 46.308 5.288 0.00 0.00 WT5  
  
Ignored bad PDB record found on line 100367  
ATOM 1880e H1 TIP3W3590 26.427 45.911 5.537 0.00 0.00 WT5  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 18810  
Duplicate atom serial number found: 18811  
Duplicate atom serial number found: 18812  
Duplicate atom serial number found: 18813  
Duplicate atom serial number found: 18814  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 100379  
ATOM 1881a H1 TIP3W3594 58.950 53.042 -34.594 0.00 0.00 WT5  
  
Ignored bad PDB record found on line 100380  
ATOM 1881b H2 TIP3W3594 59.411 52.272 -35.813 0.00 0.00 WT5  
  
Ignored bad PDB record found on line 100381  
ATOM 1881c OH2 TIP3W3595 -36.969 -4.597 -46.907 0.00 0.00 WT5  
  
Ignored bad PDB record found on line 100382  
ATOM 1881d H1 TIP3W3595 -36.387 -5.356 -46.869 0.00 0.00 WT5  
  
Ignored bad PDB record found on line 100383  
ATOM 1881e H2 TIP3W3595 -37.453 -4.707 -47.725 0.00 0.00 WT5  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 18820  
Duplicate atom serial number found: 18821  
Duplicate atom serial number found: 18822  
Duplicate atom serial number found: 18823  
Duplicate atom serial number found: 18824  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 100395  
ATOM 1882a H2 TIP3W3599 6.129 -51.641 -37.893 0.00 0.00 WT5  
  
Ignored bad PDB record found on line 100396  
ATOM 1882b OH2 TIP3W3600 -60.289 39.194 -28.369 0.00 0.00 WT5  
  
Ignored bad PDB record found on line 100397  
ATOM 1882c H1 TIP3W3600 -60.441 38.708 -27.559 0.00 0.00 WT5  
  
Ignored bad PDB record found on line 100398  
ATOM 1882d H2 TIP3W3600 -59.366 39.443 -28.329 0.00 0.00 WT5  
  
Ignored bad PDB record found on line 100399  
ATOM 1882e OH2 TIP3W3601 37.309 -42.130 -35.064 0.00 0.00 WT5  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 18830  
Duplicate atom serial number found: 18831  
Duplicate atom serial number found: 18832  
Duplicate atom serial number found: 18833  
Duplicate atom serial number found: 18834  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 100411  
ATOM 1883a OH2 TIP3W3605 -15.509 35.319 12.936 0.00 0.00 WT5  
  
Ignored bad PDB record found on line 100412  
ATOM 1883b H1 TIP3W3605 -15.946 36.128 13.203 0.00 0.00 WT5  
  
Ignored bad PDB record found on line 100413  
ATOM 1883c H2 TIP3W3605 -16.120 34.624 13.178 0.00 0.00 WT5  
  
Ignored bad PDB record found on line 100414  
ATOM 1883d OH2 TIP3W3606 -26.071 60.271 44.748 0.00 0.00 WT5  
  
Ignored bad PDB record found on line 100415  
ATOM 1883e H1 TIP3W3606 -26.662 60.565 45.441 0.00 0.00 WT5  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 18840  
Duplicate atom serial number found: 18841  
Duplicate atom serial number found: 18842  
Duplicate atom serial number found: 18843  
Duplicate atom serial number found: 18844  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 100427  
ATOM 1884a H1 TIP3W3611 35.605 26.778 33.642 0.00 0.00 WT5  
  
Ignored bad PDB record found on line 100428  
ATOM 1884b H2 TIP3W3611 34.844 26.648 32.339 0.00 0.00 WT5  
  
Ignored bad PDB record found on line 100429  
ATOM 1884c OH2 TIP3W3612 -33.691 -15.638 19.108 0.00 0.00 WT5  
  
Ignored bad PDB record found on line 100430  
ATOM 1884d H1 TIP3W3612 -34.031 -14.856 18.672 0.00 0.00 WT5  
  
Ignored bad PDB record found on line 100431  
ATOM 1884e H2 TIP3W3612 -33.284 -15.308 19.909 0.00 0.00 WT5  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 18850  
Duplicate atom serial number found: 18851  
Duplicate atom serial number found: 18852  
Duplicate atom serial number found: 18853  
Duplicate atom serial number found: 18854  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 100443  
ATOM 1885a H2 TIP3W3616 -30.766 -60.970 -48.669 0.00 0.00 WT5  
  
Ignored bad PDB record found on line 100444  
ATOM 1885b OH2 TIP3W3617 52.160 -30.193 -50.930 0.00 0.00 WT5  
  
Ignored bad PDB record found on line 100445  
ATOM 1885c H1 TIP3W3617 51.533 -29.847 -51.566 0.00 0.00 WT5  
  
Ignored bad PDB record found on line 100446  
ATOM 1885d H2 TIP3W3617 52.491 -30.995 -51.333 0.00 0.00 WT5  
  
Ignored bad PDB record found on line 100447  
ATOM 1885e OH2 TIP3W3618 39.460 -44.072 4.075 0.00 0.00 WT5  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 18860  
Duplicate atom serial number found: 18861  
Duplicate atom serial number found: 18862  
Duplicate atom serial number found: 18863  
Duplicate atom serial number found: 18864  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 100459  
ATOM 1886a OH2 TIP3W3622 -45.788 35.591 -60.773 0.00 0.00 WT5  
  
Ignored bad PDB record found on line 100460  
ATOM 1886b H1 TIP3W3622 -46.314 35.585 -59.973 0.00 0.00 WT5  
  
Ignored bad PDB record found on line 100461  
ATOM 1886c H2 TIP3W3622 -45.100 36.234 -60.603 0.00 0.00 WT5  
  
Ignored bad PDB record found on line 100462  
ATOM 1886d OH2 TIP3W3624 44.612 3.811 57.508 0.00 0.00 WT5  
  
Ignored bad PDB record found on line 100463  
ATOM 1886e H1 TIP3W3624 44.006 3.685 58.239 0.00 0.00 WT5  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 18870  
Duplicate atom serial number found: 18871  
Duplicate atom serial number found: 18872  
Duplicate atom serial number found: 18873  
Duplicate atom serial number found: 18874  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 100475  
ATOM 1887a H1 TIP3W3628 24.989 -5.476 -22.651 0.00 0.00 WT5  
  
Ignored bad PDB record found on line 100476  
ATOM 1887b H2 TIP3W3628 23.806 -5.402 -21.710 0.00 0.00 WT5  
  
Ignored bad PDB record found on line 100477  
ATOM 1887c OH2 TIP3W3629 37.297 53.587 -26.072 0.00 0.00 WT5  
  
Ignored bad PDB record found on line 100478  
ATOM 1887d H1 TIP3W3629 38.072 53.815 -25.559 0.00 0.00 WT5  
  
Ignored bad PDB record found on line 100479  
ATOM 1887e H2 TIP3W3629 36.561 53.767 -25.488 0.00 0.00 WT5  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 18880  
Duplicate atom serial number found: 18881  
Duplicate atom serial number found: 18882  
Duplicate atom serial number found: 18883  
Duplicate atom serial number found: 18884  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 100491  
ATOM 1888a H2 TIP3W3633 -57.630 -49.477 -60.370 0.00 0.00 WT5  
  
Ignored bad PDB record found on line 100492  
ATOM 1888b OH2 TIP3W3635 14.383 56.440 -12.437 0.00 0.00 WT5  
  
Ignored bad PDB record found on line 100493  
ATOM 1888c H1 TIP3W3635 13.535 56.367 -12.874 0.00 0.00 WT5  
  
Ignored bad PDB record found on line 100494  
ATOM 1888d H2 TIP3W3635 15.011 56.100 -13.074 0.00 0.00 WT5  
  
Ignored bad PDB record found on line 100495  
ATOM 1888e OH2 TIP3W3636 -32.584 12.401 -8.606 0.00 0.00 WT5  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 18890  
Duplicate atom serial number found: 18891  
Duplicate atom serial number found: 18892  
Duplicate atom serial number found: 18893  
Duplicate atom serial number found: 18894  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 100507  
ATOM 1889a OH2 TIP3W3640 -50.698 -10.317 37.085 0.00 0.00 WT5  
  
Ignored bad PDB record found on line 100508  
ATOM 1889b H1 TIP3W3640 -51.614 -10.566 37.209 0.00 0.00 WT5  
  
Ignored bad PDB record found on line 100509  
ATOM 1889c H2 TIP3W3640 -50.708 -9.360 37.083 0.00 0.00 WT5  
  
Ignored bad PDB record found on line 100510  
ATOM 1889d OH2 TIP3W3641 -49.042 23.231 25.598 0.00 0.00 WT5  
  
Ignored bad PDB record found on line 100511  
ATOM 1889e H1 TIP3W3641 -49.595 22.484 25.369 0.00 0.00 WT5  
  
97 messages similar to the above omitted  
Duplicate atom serial number found: 18900  
Duplicate atom serial number found: 18901  
Duplicate atom serial number found: 18902  
Duplicate atom serial number found: 18903  
Duplicate atom serial number found: 18904  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 100619  
ATOM 1890a H1 TIP3W3679 59.854 -14.196 35.687 0.00 0.00 WT5  
  
Ignored bad PDB record found on line 100620  
ATOM 1890b H2 TIP3W3679 58.454 -14.733 35.895 0.00 0.00 WT5  
  
Ignored bad PDB record found on line 100621  
ATOM 1890c OH2 TIP3W3680 28.566 -60.334 34.138 0.00 0.00 WT5  
  
Ignored bad PDB record found on line 100622  
ATOM 1890d H1 TIP3W3680 28.811 -61.192 33.790 0.00 0.00 WT5  
  
Ignored bad PDB record found on line 100623  
ATOM 1890e H2 TIP3W3680 28.167 -60.526 34.987 0.00 0.00 WT5  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 18910  
Duplicate atom serial number found: 18911  
Duplicate atom serial number found: 18912  
Duplicate atom serial number found: 18913  
Duplicate atom serial number found: 18914  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 100635  
ATOM 1891a H2 TIP3W3685 22.822 -44.423 19.617 0.00 0.00 WT5  
  
Ignored bad PDB record found on line 100636  
ATOM 1891b OH2 TIP3W3686 30.072 -59.474 -46.923 0.00 0.00 WT5  
  
Ignored bad PDB record found on line 100637  
ATOM 1891c H1 TIP3W3686 30.508 -59.124 -47.700 0.00 0.00 WT5  
  
Ignored bad PDB record found on line 100638  
ATOM 1891d H2 TIP3W3686 29.593 -58.729 -46.560 0.00 0.00 WT5  
  
Ignored bad PDB record found on line 100639  
ATOM 1891e OH2 TIP3W3687 -37.149 -48.996 59.438 0.00 0.00 WT5  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 18920  
Duplicate atom serial number found: 18921  
Duplicate atom serial number found: 18922  
Duplicate atom serial number found: 18923  
Duplicate atom serial number found: 18924  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 100651  
ATOM 1892a OH2 TIP3W3691 45.235 -13.001 -14.834 0.00 0.00 WT5  
  
Ignored bad PDB record found on line 100652  
ATOM 1892b H1 TIP3W3691 45.514 -13.730 -14.280 0.00 0.00 WT5  
  
Ignored bad PDB record found on line 100653  
ATOM 1892c H2 TIP3W3691 46.017 -12.765 -15.332 0.00 0.00 WT5  
  
Ignored bad PDB record found on line 100654  
ATOM 1892d OH2 TIP3W3692 26.294 -45.519 -51.574 0.00 0.00 WT5  
  
Ignored bad PDB record found on line 100655  
ATOM 1892e H1 TIP3W3692 26.883 -46.239 -51.346 0.00 0.00 WT5  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 18930  
Duplicate atom serial number found: 18931  
Duplicate atom serial number found: 18932  
Duplicate atom serial number found: 18933  
Duplicate atom serial number found: 18934  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 100667  
ATOM 1893a H1 TIP3W3696 -15.183 -8.756 51.095 0.00 0.00 WT5  
  
Ignored bad PDB record found on line 100668  
ATOM 1893b H2 TIP3W3696 -15.601 -10.197 50.893 0.00 0.00 WT5  
  
Ignored bad PDB record found on line 100669  
ATOM 1893c OH2 TIP3W3697 23.014 27.037 33.756 0.00 0.00 WT5  
  
Ignored bad PDB record found on line 100670  
ATOM 1893d H1 TIP3W3697 22.576 27.860 33.538 0.00 0.00 WT5  
  
Ignored bad PDB record found on line 100671  
ATOM 1893e H2 TIP3W3697 23.503 26.808 32.966 0.00 0.00 WT5  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 18940  
Duplicate atom serial number found: 18941  
Duplicate atom serial number found: 18942  
Duplicate atom serial number found: 18943  
Duplicate atom serial number found: 18944  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 100683  
ATOM 1894a H2 TIP3W3702 35.240 -43.170 -58.562 0.00 0.00 WT5  
  
Ignored bad PDB record found on line 100684  
ATOM 1894b OH2 TIP3W3703 24.211 -14.177 56.920 0.00 0.00 WT5  
  
Ignored bad PDB record found on line 100685  
ATOM 1894c H1 TIP3W3703 24.043 -13.236 56.855 0.00 0.00 WT5  
  
Ignored bad PDB record found on line 100686  
ATOM 1894d H2 TIP3W3703 23.477 -14.584 56.461 0.00 0.00 WT5  
  
Ignored bad PDB record found on line 100687  
ATOM 1894e OH2 TIP3W3704 49.741 8.519 31.858 0.00 0.00 WT5  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 18950  
Duplicate atom serial number found: 18951  
Duplicate atom serial number found: 18952  
Duplicate atom serial number found: 18953  
Duplicate atom serial number found: 18954  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 100699  
ATOM 1895a OH2 TIP3W3708 58.184 31.349 -4.168 0.00 0.00 WT5  
  
Ignored bad PDB record found on line 100700  
ATOM 1895b H1 TIP3W3708 58.453 31.808 -4.964 0.00 0.00 WT5  
  
Ignored bad PDB record found on line 100701  
ATOM 1895c H2 TIP3W3708 57.490 31.895 -3.799 0.00 0.00 WT5  
  
Ignored bad PDB record found on line 100702  
ATOM 1895d OH2 TIP3W3709 -47.902 -12.554 25.664 0.00 0.00 WT5  
  
Ignored bad PDB record found on line 100703  
ATOM 1895e H1 TIP3W3709 -48.385 -12.193 24.921 0.00 0.00 WT5  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 18960  
Duplicate atom serial number found: 18961  
Duplicate atom serial number found: 18962  
Duplicate atom serial number found: 18963  
Duplicate atom serial number found: 18964  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 100715  
ATOM 1896a H1 TIP3W3713 29.516 -15.426 -32.859 0.00 0.00 WT5  
  
Ignored bad PDB record found on line 100716  
ATOM 1896b H2 TIP3W3713 30.288 -16.727 -32.921 0.00 0.00 WT5  
  
Ignored bad PDB record found on line 100717  
ATOM 1896c OH2 TIP3W3714 -30.815 -7.628 11.521 0.00 0.00 WT5  
  
Ignored bad PDB record found on line 100718  
ATOM 1896d H1 TIP3W3714 -30.433 -7.386 12.365 0.00 0.00 WT5  
  
Ignored bad PDB record found on line 100719  
ATOM 1896e H2 TIP3W3714 -31.632 -7.131 11.475 0.00 0.00 WT5  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 18970  
Duplicate atom serial number found: 18971  
Duplicate atom serial number found: 18972  
Duplicate atom serial number found: 18973  
Duplicate atom serial number found: 18974  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 100731  
ATOM 1897a H2 TIP3W3718 -18.110 -6.891 27.954 0.00 0.00 WT5  
  
Ignored bad PDB record found on line 100732  
ATOM 1897b OH2 TIP3W3719 -32.478 -56.007 -39.325 0.00 0.00 WT5  
  
Ignored bad PDB record found on line 100733  
ATOM 1897c H1 TIP3W3719 -31.696 -55.909 -38.782 0.00 0.00 WT5  
  
Ignored bad PDB record found on line 100734  
ATOM 1897d H2 TIP3W3719 -32.184 -56.517 -40.080 0.00 0.00 WT5  
  
Ignored bad PDB record found on line 100735  
ATOM 1897e OH2 TIP3W3720 -40.829 -11.973 15.110 0.00 0.00 WT5  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 18980  
Duplicate atom serial number found: 18981  
Duplicate atom serial number found: 18982  
Duplicate atom serial number found: 18983  
Duplicate atom serial number found: 18984  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 100747  
ATOM 1898a OH2 TIP3W3724 -42.895 -2.501 -60.579 0.00 0.00 WT5  
  
Ignored bad PDB record found on line 100748  
ATOM 1898b H1 TIP3W3724 -42.484 -2.149 -61.369 0.00 0.00 WT5  
  
Ignored bad PDB record found on line 100749  
ATOM 1898c H2 TIP3W3724 -42.163 -2.806 -60.043 0.00 0.00 WT5  
  
Ignored bad PDB record found on line 100750  
ATOM 1898d OH2 TIP3W3725 56.971 -13.608 39.141 0.00 0.00 WT5  
  
Ignored bad PDB record found on line 100751  
ATOM 1898e H1 TIP3W3725 57.002 -13.901 40.052 0.00 0.00 WT5  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 18990  
Duplicate atom serial number found: 18991  
Duplicate atom serial number found: 18992  
Duplicate atom serial number found: 18993  
Duplicate atom serial number found: 18994  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 100763  
ATOM 1899a H1 TIP3W3729 -28.337 15.981 25.044 0.00 0.00 WT5  
  
Ignored bad PDB record found on line 100764  
ATOM 1899b H2 TIP3W3729 -28.392 14.493 24.772 0.00 0.00 WT5  
  
Ignored bad PDB record found on line 100765  
ATOM 1899c OH2 TIP3W3730 51.635 39.254 -16.530 0.00 0.00 WT5  
  
Ignored bad PDB record found on line 100766  
ATOM 1899d H1 TIP3W3730 51.607 39.252 -17.487 0.00 0.00 WT5  
  
Ignored bad PDB record found on line 100767  
ATOM 1899e H2 TIP3W3730 52.436 38.778 -16.312 0.00 0.00 WT5  
  
1633 messages similar to the above omitted  
Duplicate atom serial number found: 19000  
Duplicate atom serial number found: 19001  
Duplicate atom serial number found: 19002  
Duplicate atom serial number found: 19003  
Duplicate atom serial number found: 19004  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 102411  
ATOM 1900a H2 TIP3W4322 28.683 18.602 -20.261 0.00 0.00 WT5  
  
Ignored bad PDB record found on line 102412  
ATOM 1900b OH2 TIP3W4323 28.954 59.236 -8.287 0.00 0.00 WT5  
  
Ignored bad PDB record found on line 102413  
ATOM 1900c H1 TIP3W4323 28.673 59.882 -8.936 0.00 0.00 WT5  
  
Ignored bad PDB record found on line 102414  
ATOM 1900d H2 TIP3W4323 28.887 59.694 -7.449 0.00 0.00 WT5  
  
Ignored bad PDB record found on line 102415  
ATOM 1900e OH2 TIP3W4324 -48.087 26.415 -39.103 0.00 0.00 WT5  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 19010  
Duplicate atom serial number found: 19011  
Duplicate atom serial number found: 19012  
Duplicate atom serial number found: 19013  
Duplicate atom serial number found: 19014  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 102427  
ATOM 1901a OH2 TIP3W4328 22.713 -21.147 -29.271 0.00 0.00 WT5  
  
Ignored bad PDB record found on line 102428  
ATOM 1901b H1 TIP3W4328 23.402 -20.538 -29.002 0.00 0.00 WT5  
  
Ignored bad PDB record found on line 102429  
ATOM 1901c H2 TIP3W4328 21.968 -20.929 -28.711 0.00 0.00 WT5  
  
Ignored bad PDB record found on line 102430  
ATOM 1901d OH2 TIP3W4329 54.331 -1.196 15.838 0.00 0.00 WT5  
  
Ignored bad PDB record found on line 102431  
ATOM 1901e H1 TIP3W4329 53.475 -1.066 15.430 0.00 0.00 WT5  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 19020  
Duplicate atom serial number found: 19021  
Duplicate atom serial number found: 19022  
Duplicate atom serial number found: 19023  
Duplicate atom serial number found: 19024  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 102443  
ATOM 1902a H1 TIP3W4333 18.657 -15.298 -18.380 0.00 0.00 WT5  
  
Ignored bad PDB record found on line 102444  
ATOM 1902b H2 TIP3W4333 19.215 -13.895 -18.493 0.00 0.00 WT5  
  
Ignored bad PDB record found on line 102445  
ATOM 1902c OH2 TIP3W4334 -48.117 -6.701 56.201 0.00 0.00 WT5  
  
Ignored bad PDB record found on line 102446  
ATOM 1902d H1 TIP3W4334 -48.628 -7.175 56.858 0.00 0.00 WT5  
  
Ignored bad PDB record found on line 102447  
ATOM 1902e H2 TIP3W4334 -47.750 -5.955 56.674 0.00 0.00 WT5  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 19030  
Duplicate atom serial number found: 19031  
Duplicate atom serial number found: 19032  
Duplicate atom serial number found: 19033  
Duplicate atom serial number found: 19034  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 102459  
ATOM 1903a H2 TIP3W4339 40.479 -17.514 38.807 0.00 0.00 WT5  
  
Ignored bad PDB record found on line 102460  
ATOM 1903b OH2 TIP3W4340 20.400 -16.907 -38.441 0.00 0.00 WT5  
  
Ignored bad PDB record found on line 102461  
ATOM 1903c H1 TIP3W4340 20.857 -17.714 -38.677 0.00 0.00 WT5  
  
Ignored bad PDB record found on line 102462  
ATOM 1903d H2 TIP3W4340 19.810 -16.741 -39.176 0.00 0.00 WT5  
  
Ignored bad PDB record found on line 102463  
ATOM 1903e OH2 TIP3W4341 37.239 44.393 -30.617 0.00 0.00 WT5  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 19040  
Duplicate atom serial number found: 19041  
Duplicate atom serial number found: 19042  
Duplicate atom serial number found: 19043  
Duplicate atom serial number found: 19044  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 102475  
ATOM 1904a OH2 TIP3W4346 -54.366 -5.039 47.044 0.00 0.00 WT5  
  
Ignored bad PDB record found on line 102476  
ATOM 1904b H1 TIP3W4346 -54.654 -5.472 47.847 0.00 0.00 WT5  
  
Ignored bad PDB record found on line 102477  
ATOM 1904c H2 TIP3W4346 -53.422 -4.926 47.157 0.00 0.00 WT5  
  
Ignored bad PDB record found on line 102478  
ATOM 1904d OH2 TIP3W4347 43.650 60.234 -4.099 0.00 0.00 WT5  
  
Ignored bad PDB record found on line 102479  
ATOM 1904e H1 TIP3W4347 42.775 60.453 -3.780 0.00 0.00 WT5  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 19050  
Duplicate atom serial number found: 19051  
Duplicate atom serial number found: 19052  
Duplicate atom serial number found: 19053  
Duplicate atom serial number found: 19054  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 102491  
ATOM 1905a H1 TIP3W4351 17.881 -17.282 58.955 0.00 0.00 WT5  
  
Ignored bad PDB record found on line 102492  
ATOM 1905b H2 TIP3W4351 17.526 -17.141 60.420 0.00 0.00 WT5  
  
Ignored bad PDB record found on line 102493  
ATOM 1905c OH2 TIP3W4352 -55.900 -6.466 -31.849 0.00 0.00 WT5  
  
Ignored bad PDB record found on line 102494  
ATOM 1905d H1 TIP3W4352 -55.114 -6.647 -31.334 0.00 0.00 WT5  
  
Ignored bad PDB record found on line 102495  
ATOM 1905e H2 TIP3W4352 -56.612 -6.865 -31.348 0.00 0.00 WT5  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 19060  
Duplicate atom serial number found: 19061  
Duplicate atom serial number found: 19062  
Duplicate atom serial number found: 19063  
Duplicate atom serial number found: 19064  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 102507  
ATOM 1906a H2 TIP3W4356 -49.580 55.763 -50.832 0.00 0.00 WT5  
  
Ignored bad PDB record found on line 102508  
ATOM 1906b OH2 TIP3W4357 -38.215 23.354 -54.995 0.00 0.00 WT5  
  
Ignored bad PDB record found on line 102509  
ATOM 1906c H1 TIP3W4357 -38.042 23.728 -55.859 0.00 0.00 WT5  
  
Ignored bad PDB record found on line 102510  
ATOM 1906d H2 TIP3W4357 -39.118 23.041 -55.045 0.00 0.00 WT5  
  
Ignored bad PDB record found on line 102511  
ATOM 1906e OH2 TIP3W4358 39.517 -21.081 -24.803 0.00 0.00 WT5  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 19070  
Duplicate atom serial number found: 19071  
Duplicate atom serial number found: 19072  
Duplicate atom serial number found: 19073  
Duplicate atom serial number found: 19074  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 102523  
ATOM 1907a OH2 TIP3W4362 21.591 -46.212 42.386 0.00 0.00 WT5  
  
Ignored bad PDB record found on line 102524  
ATOM 1907b H1 TIP3W4362 21.788 -47.094 42.703 0.00 0.00 WT5  
  
Ignored bad PDB record found on line 102525  
ATOM 1907c H2 TIP3W4362 22.180 -46.088 41.642 0.00 0.00 WT5  
  
Ignored bad PDB record found on line 102526  
ATOM 1907d OH2 TIP3W4363 -42.990 42.855 12.142 0.00 0.00 WT5  
  
Ignored bad PDB record found on line 102527  
ATOM 1907e H1 TIP3W4363 -42.521 43.239 12.883 0.00 0.00 WT5  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 19080  
Duplicate atom serial number found: 19081  
Duplicate atom serial number found: 19082  
Duplicate atom serial number found: 19083  
Duplicate atom serial number found: 19084  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 102539  
ATOM 1908a H1 TIP3W4367 59.294 -30.120 -25.882 0.00 0.00 WT5  
  
Ignored bad PDB record found on line 102540  
ATOM 1908b H2 TIP3W4367 59.953 -28.970 -25.152 0.00 0.00 WT5  
  
Ignored bad PDB record found on line 102541  
ATOM 1908c OH2 TIP3W4368 57.723 10.451 -41.542 0.00 0.00 WT5  
  
Ignored bad PDB record found on line 102542  
ATOM 1908d H1 TIP3W4368 58.110 9.577 -41.479 0.00 0.00 WT5  
  
Ignored bad PDB record found on line 102543  
ATOM 1908e H2 TIP3W4368 57.853 10.834 -40.674 0.00 0.00 WT5  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 19090  
Duplicate atom serial number found: 19091  
Duplicate atom serial number found: 19092  
Duplicate atom serial number found: 19093  
Duplicate atom serial number found: 19094  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 102555  
ATOM 1909a H2 TIP3W4373 -19.866 -24.154 2.463 0.00 0.00 WT5  
  
Ignored bad PDB record found on line 102556  
ATOM 1909b OH2 TIP3W4374 45.572 40.994 -39.202 0.00 0.00 WT5  
  
Ignored bad PDB record found on line 102557  
ATOM 1909c H1 TIP3W4374 45.442 41.497 -38.398 0.00 0.00 WT5  
  
Ignored bad PDB record found on line 102558  
ATOM 1909d H2 TIP3W4374 45.495 41.639 -39.904 0.00 0.00 WT5  
  
Ignored bad PDB record found on line 102559  
ATOM 1909e OH2 TIP3W4375 48.162 28.581 -37.830 0.00 0.00 WT5  
  
97 messages similar to the above omitted  
Duplicate atom serial number found: 19100  
Duplicate atom serial number found: 19101  
Duplicate atom serial number found: 19102  
Duplicate atom serial number found: 19103  
Duplicate atom serial number found: 19104  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 102667  
ATOM 1910a OH2 TIP3W4414 -49.508 4.945 10.465 0.00 0.00 WT5  
  
Ignored bad PDB record found on line 102668  
ATOM 1910b H1 TIP3W4414 -50.023 4.170 10.241 0.00 0.00 WT5  
  
Ignored bad PDB record found on line 102669  
ATOM 1910c H2 TIP3W4414 -50.046 5.682 10.176 0.00 0.00 WT5  
  
Ignored bad PDB record found on line 102670  
ATOM 1910d OH2 TIP3W4415 -35.235 26.768 -32.549 0.00 0.00 WT5  
  
Ignored bad PDB record found on line 102671  
ATOM 1910e H1 TIP3W4415 -34.517 26.365 -32.060 0.00 0.00 WT5  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 19110  
Duplicate atom serial number found: 19111  
Duplicate atom serial number found: 19112  
Duplicate atom serial number found: 19113  
Duplicate atom serial number found: 19114  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 102683  
ATOM 1911a H1 TIP3W4419 -0.988 11.434 -51.136 0.00 0.00 WT5  
  
Ignored bad PDB record found on line 102684  
ATOM 1911b H2 TIP3W4419 -2.223 10.586 -51.354 0.00 0.00 WT5  
  
Ignored bad PDB record found on line 102685  
ATOM 1911c OH2 TIP3W4421 -33.629 -0.997 -21.270 0.00 0.00 WT5  
  
Ignored bad PDB record found on line 102686  
ATOM 1911d H1 TIP3W4421 -33.723 -0.516 -22.092 0.00 0.00 WT5  
  
Ignored bad PDB record found on line 102687  
ATOM 1911e H2 TIP3W4421 -34.143 -0.495 -20.638 0.00 0.00 WT5  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 19120  
Duplicate atom serial number found: 19121  
Duplicate atom serial number found: 19122  
Duplicate atom serial number found: 19123  
Duplicate atom serial number found: 19124  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 102699  
ATOM 1912a H2 TIP3W4425 -6.248 -3.322 -38.598 0.00 0.00 WT5  
  
Ignored bad PDB record found on line 102700  
ATOM 1912b OH2 TIP3W4426 -27.220 -46.121 -9.897 0.00 0.00 WT5  
  
Ignored bad PDB record found on line 102701  
ATOM 1912c H1 TIP3W4426 -26.454 -46.099 -10.469 0.00 0.00 WT5  
  
Ignored bad PDB record found on line 102702  
ATOM 1912d H2 TIP3W4426 -27.937 -46.399 -10.467 0.00 0.00 WT5  
  
Ignored bad PDB record found on line 102703  
ATOM 1912e OH2 TIP3W4427 18.483 21.675 -46.039 0.00 0.00 WT5  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 19130  
Duplicate atom serial number found: 19131  
Duplicate atom serial number found: 19132  
Duplicate atom serial number found: 19133  
Duplicate atom serial number found: 19134  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 102715  
ATOM 1913a OH2 TIP3W4431 -48.527 12.382 -35.089 0.00 0.00 WT5  
  
Ignored bad PDB record found on line 102716  
ATOM 1913b H1 TIP3W4431 -48.431 11.774 -35.823 0.00 0.00 WT5  
  
Ignored bad PDB record found on line 102717  
ATOM 1913c H2 TIP3W4431 -48.179 13.211 -35.417 0.00 0.00 WT5  
  
Ignored bad PDB record found on line 102718  
ATOM 1913d OH2 TIP3W4432 -52.839 17.497 39.854 0.00 0.00 WT5  
  
Ignored bad PDB record found on line 102719  
ATOM 1913e H1 TIP3W4432 -52.564 18.306 40.284 0.00 0.00 WT5  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 19140  
Duplicate atom serial number found: 19141  
Duplicate atom serial number found: 19142  
Duplicate atom serial number found: 19143  
Duplicate atom serial number found: 19144  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 102731  
ATOM 1914a H1 TIP3W4437 -32.925 17.434 -13.841 0.00 0.00 WT5  
  
Ignored bad PDB record found on line 102732  
ATOM 1914b H2 TIP3W4437 -31.607 16.974 -14.429 0.00 0.00 WT5  
  
Ignored bad PDB record found on line 102733  
ATOM 1914c OH2 TIP3W4438 3.428 10.612 -34.182 0.00 0.00 WT5  
  
Ignored bad PDB record found on line 102734  
ATOM 1914d H1 TIP3W4438 2.603 10.694 -34.661 0.00 0.00 WT5  
  
Ignored bad PDB record found on line 102735  
ATOM 1914e H2 TIP3W4438 3.559 11.472 -33.782 0.00 0.00 WT5  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 19150  
Duplicate atom serial number found: 19151  
Duplicate atom serial number found: 19152  
Duplicate atom serial number found: 19153  
Duplicate atom serial number found: 19154  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 102747  
ATOM 1915a H2 TIP3W4442 25.062 -20.709 -51.224 0.00 0.00 WT5  
  
Ignored bad PDB record found on line 102748  
ATOM 1915b OH2 TIP3W4443 -23.913 -31.714 9.555 0.00 0.00 WT5  
  
Ignored bad PDB record found on line 102749  
ATOM 1915c H1 TIP3W4443 -23.263 -31.432 10.199 0.00 0.00 WT5  
  
Ignored bad PDB record found on line 102750  
ATOM 1915d H2 TIP3W4443 -23.398 -31.982 8.795 0.00 0.00 WT5  
  
Ignored bad PDB record found on line 102751  
ATOM 1915e OH2 TIP3W4444 59.728 23.226 21.004 0.00 0.00 WT5  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 19160  
Duplicate atom serial number found: 19161  
Duplicate atom serial number found: 19162  
Duplicate atom serial number found: 19163  
Duplicate atom serial number found: 19164  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 102763  
ATOM 1916a OH2 TIP3W4448 6.415 26.996 11.193 0.00 0.00 WT5  
  
Ignored bad PDB record found on line 102764  
ATOM 1916b H1 TIP3W4448 6.946 27.149 11.975 0.00 0.00 WT5  
  
Ignored bad PDB record found on line 102765  
ATOM 1916c H2 TIP3W4448 5.864 27.776 11.121 0.00 0.00 WT5  
  
Ignored bad PDB record found on line 102766  
ATOM 1916d OH2 TIP3W4449 44.861 -34.970 -24.588 0.00 0.00 WT5  
  
Ignored bad PDB record found on line 102767  
ATOM 1916e H1 TIP3W4449 44.743 -35.871 -24.287 0.00 0.00 WT5  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 19170  
Duplicate atom serial number found: 19171  
Duplicate atom serial number found: 19172  
Duplicate atom serial number found: 19173  
Duplicate atom serial number found: 19174  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 102779  
ATOM 1917a H1 TIP3W4453 -50.451 60.268 -57.707 0.00 0.00 WT5  
  
Ignored bad PDB record found on line 102780  
ATOM 1917b H2 TIP3W4453 -50.818 60.186 -56.240 0.00 0.00 WT5  
  
Ignored bad PDB record found on line 102781  
ATOM 1917c OH2 TIP3W4454 -39.560 -3.340 -19.096 0.00 0.00 WT5  
  
Ignored bad PDB record found on line 102782  
ATOM 1917d H1 TIP3W4454 -39.553 -3.105 -20.024 0.00 0.00 WT5  
  
Ignored bad PDB record found on line 102783  
ATOM 1917e H2 TIP3W4454 -38.648 -3.254 -18.819 0.00 0.00 WT5  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 19180  
Duplicate atom serial number found: 19181  
Duplicate atom serial number found: 19182  
Duplicate atom serial number found: 19183  
Duplicate atom serial number found: 19184  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 102795  
ATOM 1918a H2 TIP3W4458 -0.441 14.448 43.746 0.00 0.00 WT5  
  
Ignored bad PDB record found on line 102796  
ATOM 1918b OH2 TIP3W4459 55.954 -25.621 56.430 0.00 0.00 WT5  
  
Ignored bad PDB record found on line 102797  
ATOM 1918c H1 TIP3W4459 55.865 -24.733 56.776 0.00 0.00 WT5  
  
Ignored bad PDB record found on line 102798  
ATOM 1918d H2 TIP3W4459 55.327 -26.139 56.935 0.00 0.00 WT5  
  
Ignored bad PDB record found on line 102799  
ATOM 1918e OH2 TIP3W4460 -37.870 -32.199 -35.818 0.00 0.00 WT5  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 19190  
Duplicate atom serial number found: 19191  
Duplicate atom serial number found: 19192  
Duplicate atom serial number found: 19193  
Duplicate atom serial number found: 19194  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 102811  
ATOM 1919a OH2 TIP3W4464 -0.660 24.147 -46.263 0.00 0.00 WT5  
  
Ignored bad PDB record found on line 102812  
ATOM 1919b H1 TIP3W4464 -1.611 24.072 -46.175 0.00 0.00 WT5  
  
Ignored bad PDB record found on line 102813  
ATOM 1919c H2 TIP3W4464 -0.527 24.469 -47.155 0.00 0.00 WT5  
  
Ignored bad PDB record found on line 102814  
ATOM 1919d OH2 TIP3W4465 -0.793 53.679 -28.225 0.00 0.00 WT5  
  
Ignored bad PDB record found on line 102815  
ATOM 1919e H1 TIP3W4465 -1.680 53.910 -28.504 0.00 0.00 WT5  
  
97 messages similar to the above omitted  
Duplicate atom serial number found: 19200  
Duplicate atom serial number found: 19201  
Duplicate atom serial number found: 19202  
Duplicate atom serial number found: 19203  
Duplicate atom serial number found: 19204  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 102923  
ATOM 1920a H1 TIP3W4503 -27.889 19.520 -47.664 0.00 0.00 WT5  
  
Ignored bad PDB record found on line 102924  
ATOM 1920b H2 TIP3W4503 -28.428 20.402 -48.770 0.00 0.00 WT5  
  
Ignored bad PDB record found on line 102925  
ATOM 1920c OH2 TIP3W4504 2.402 -53.194 16.978 0.00 0.00 WT5  
  
Ignored bad PDB record found on line 102926  
ATOM 1920d H1 TIP3W4504 3.254 -53.383 16.587 0.00 0.00 WT5  
  
Ignored bad PDB record found on line 102927  
ATOM 1920e H2 TIP3W4504 2.311 -52.243 16.909 0.00 0.00 WT5  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 19210  
Duplicate atom serial number found: 19211  
Duplicate atom serial number found: 19212  
Duplicate atom serial number found: 19213  
Duplicate atom serial number found: 19214  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 102939  
ATOM 1921a H2 TIP3W4508 13.915 7.458 52.325 0.00 0.00 WT5  
  
Ignored bad PDB record found on line 102940  
ATOM 1921b OH2 TIP3W4509 24.511 10.775 -60.968 0.00 0.00 WT5  
  
Ignored bad PDB record found on line 102941  
ATOM 1921c H1 TIP3W4509 24.779 9.860 -60.881 0.00 0.00 WT5  
  
Ignored bad PDB record found on line 102942  
ATOM 1921d H2 TIP3W4509 23.774 10.752 -61.580 0.00 0.00 WT5  
  
Ignored bad PDB record found on line 102943  
ATOM 1921e OH2 TIP3W4510 -54.336 43.917 -8.749 0.00 0.00 WT5  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 19220  
Duplicate atom serial number found: 19221  
Duplicate atom serial number found: 19222  
Duplicate atom serial number found: 19223  
Duplicate atom serial number found: 19224  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 102955  
ATOM 1922a OH2 TIP3W4514 6.658 39.640 -34.784 0.00 0.00 WT5  
  
Ignored bad PDB record found on line 102956  
ATOM 1922b H1 TIP3W4514 5.989 38.976 -34.947 0.00 0.00 WT5  
  
Ignored bad PDB record found on line 102957  
ATOM 1922c H2 TIP3W4514 7.380 39.160 -34.379 0.00 0.00 WT5  
  
Ignored bad PDB record found on line 102958  
ATOM 1922d OH2 TIP3W4515 -23.761 39.019 -59.164 0.00 0.00 WT5  
  
Ignored bad PDB record found on line 102959  
ATOM 1922e H1 TIP3W4515 -24.116 39.864 -58.887 0.00 0.00 WT5  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 19230  
Duplicate atom serial number found: 19231  
Duplicate atom serial number found: 19232  
Duplicate atom serial number found: 19233  
Duplicate atom serial number found: 19234  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 102971  
ATOM 1923a H1 TIP3W4519 34.335 -43.693 -22.310 0.00 0.00 WT5  
  
Ignored bad PDB record found on line 102972  
ATOM 1923b H2 TIP3W4519 34.600 -42.865 -23.550 0.00 0.00 WT5  
  
Ignored bad PDB record found on line 102973  
ATOM 1923c OH2 TIP3W4520 57.922 -8.863 -15.041 0.00 0.00 WT5  
  
Ignored bad PDB record found on line 102974  
ATOM 1923d H1 TIP3W4520 57.697 -8.659 -15.949 0.00 0.00 WT5  
  
Ignored bad PDB record found on line 102975  
ATOM 1923e H2 TIP3W4520 57.816 -9.812 -14.975 0.00 0.00 WT5  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 19240  
Duplicate atom serial number found: 19241  
Duplicate atom serial number found: 19242  
Duplicate atom serial number found: 19243  
Duplicate atom serial number found: 19244  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 102987  
ATOM 1924a H2 TIP3W4524 -23.868 43.641 -41.128 0.00 0.00 WT5  
  
Ignored bad PDB record found on line 102988  
ATOM 1924b OH2 TIP3W4525 41.615 -19.851 -50.234 0.00 0.00 WT5  
  
Ignored bad PDB record found on line 102989  
ATOM 1924c H1 TIP3W4525 40.968 -19.147 -50.184 0.00 0.00 WT5  
  
Ignored bad PDB record found on line 102990  
ATOM 1924d H2 TIP3W4525 41.094 -20.653 -50.268 0.00 0.00 WT5  
  
Ignored bad PDB record found on line 102991  
ATOM 1924e OH2 TIP3W4526 47.631 58.256 -12.140 0.00 0.00 WT5  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 19250  
Duplicate atom serial number found: 19251  
Duplicate atom serial number found: 19252  
Duplicate atom serial number found: 19253  
Duplicate atom serial number found: 19254  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 103003  
ATOM 1925a OH2 TIP3W4530 2.412 -51.438 46.899 0.00 0.00 WT5  
  
Ignored bad PDB record found on line 103004  
ATOM 1925b H1 TIP3W4530 3.189 -50.968 47.201 0.00 0.00 WT5  
  
Ignored bad PDB record found on line 103005  
ATOM 1925c H2 TIP3W4530 2.757 -52.193 46.423 0.00 0.00 WT5  
  
Ignored bad PDB record found on line 103006  
ATOM 1925d OH2 TIP3W4531 23.703 -52.295 -27.246 0.00 0.00 WT5  
  
Ignored bad PDB record found on line 103007  
ATOM 1925e H1 TIP3W4531 23.408 -51.690 -27.926 0.00 0.00 WT5  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 19260  
Duplicate atom serial number found: 19261  
Duplicate atom serial number found: 19262  
Duplicate atom serial number found: 19263  
Duplicate atom serial number found: 19264  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 103019  
ATOM 1926a H1 TIP3W4535 -45.209 -11.177 -11.346 0.00 0.00 WT5  
  
Ignored bad PDB record found on line 103020  
ATOM 1926b H2 TIP3W4535 -44.126 -11.581 -10.368 0.00 0.00 WT5  
  
Ignored bad PDB record found on line 103021  
ATOM 1926c OH2 TIP3W4536 -43.412 -14.541 -39.300 0.00 0.00 WT5  
  
Ignored bad PDB record found on line 103022  
ATOM 1926d H1 TIP3W4536 -42.985 -15.338 -38.982 0.00 0.00 WT5  
  
Ignored bad PDB record found on line 103023  
ATOM 1926e H2 TIP3W4536 -43.345 -14.597 -40.253 0.00 0.00 WT5  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 19270  
Duplicate atom serial number found: 19271  
Duplicate atom serial number found: 19272  
Duplicate atom serial number found: 19273  
Duplicate atom serial number found: 19274  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 103035  
ATOM 1927a H2 TIP3W4541 35.436 11.563 14.302 0.00 0.00 WT5  
  
Ignored bad PDB record found on line 103036  
ATOM 1927b OH2 TIP3W4543 -26.350 3.527 22.871 0.00 0.00 WT5  
  
Ignored bad PDB record found on line 103037  
ATOM 1927c H1 TIP3W4543 -26.320 4.483 22.828 0.00 0.00 WT5  
  
Ignored bad PDB record found on line 103038  
ATOM 1927d H2 TIP3W4543 -25.440 3.264 23.005 0.00 0.00 WT5  
  
Ignored bad PDB record found on line 103039  
ATOM 1927e OH2 TIP3W4544 -40.016 -9.658 -2.422 0.00 0.00 WT5  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 19280  
Duplicate atom serial number found: 19281  
Duplicate atom serial number found: 19282  
Duplicate atom serial number found: 19283  
Duplicate atom serial number found: 19284  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 103051  
ATOM 1928a OH2 TIP3W4548 -10.400 50.351 58.859 0.00 0.00 WT5  
  
Ignored bad PDB record found on line 103052  
ATOM 1928b H1 TIP3W4548 -11.228 49.906 59.040 0.00 0.00 WT5  
  
Ignored bad PDB record found on line 103053  
ATOM 1928c H2 TIP3W4548 -10.305 50.982 59.573 0.00 0.00 WT5  
  
Ignored bad PDB record found on line 103054  
ATOM 1928d OH2 TIP3W4549 -46.002 25.141 42.282 0.00 0.00 WT5  
  
Ignored bad PDB record found on line 103055  
ATOM 1928e H1 TIP3W4549 -45.974 24.441 42.934 0.00 0.00 WT5  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 19290  
Duplicate atom serial number found: 19291  
Duplicate atom serial number found: 19292  
Duplicate atom serial number found: 19293  
Duplicate atom serial number found: 19294  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 103067  
ATOM 1929a H1 TIP3W4553 40.440 -36.162 -26.236 0.00 0.00 WT5  
  
Ignored bad PDB record found on line 103068  
ATOM 1929b H2 TIP3W4553 39.151 -36.382 -27.000 0.00 0.00 WT5  
  
Ignored bad PDB record found on line 103069  
ATOM 1929c OH2 TIP3W4554 -34.128 -11.562 -21.903 0.00 0.00 WT5  
  
Ignored bad PDB record found on line 103070  
ATOM 1929d H1 TIP3W4554 -34.872 -11.403 -22.484 0.00 0.00 WT5  
  
Ignored bad PDB record found on line 103071  
ATOM 1929e H2 TIP3W4554 -33.363 -11.305 -22.417 0.00 0.00 WT5  
  
97 messages similar to the above omitted  
Duplicate atom serial number found: 19300  
Duplicate atom serial number found: 19301  
Duplicate atom serial number found: 19302  
Duplicate atom serial number found: 19303  
Duplicate atom serial number found: 19304  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 103179  
ATOM 1930a H2 TIP3W4591 28.042 -52.912 -8.058 0.00 0.00 WT5  
  
Ignored bad PDB record found on line 103180  
ATOM 1930b OH2 TIP3W4593 -54.553 52.450 -25.242 0.00 0.00 WT5  
  
Ignored bad PDB record found on line 103181  
ATOM 1930c H1 TIP3W4593 -54.409 51.536 -24.997 0.00 0.00 WT5  
  
Ignored bad PDB record found on line 103182  
ATOM 1930d H2 TIP3W4593 -55.370 52.438 -25.742 0.00 0.00 WT5  
  
Ignored bad PDB record found on line 103183  
ATOM 1930e OH2 TIP3W4594 40.790 44.108 -24.611 0.00 0.00 WT5  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 19310  
Duplicate atom serial number found: 19311  
Duplicate atom serial number found: 19312  
Duplicate atom serial number found: 19313  
Duplicate atom serial number found: 19314  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 103195  
ATOM 1931a OH2 TIP3W4598 -56.672 -24.432 -44.511 0.00 0.00 WT5  
  
Ignored bad PDB record found on line 103196  
ATOM 1931b H1 TIP3W4598 -56.480 -25.358 -44.366 0.00 0.00 WT5  
  
Ignored bad PDB record found on line 103197  
ATOM 1931c H2 TIP3W4598 -57.620 -24.363 -44.396 0.00 0.00 WT5  
  
Ignored bad PDB record found on line 103198  
ATOM 1931d OH2 TIP3W4599 47.852 -29.673 -56.801 0.00 0.00 WT5  
  
Ignored bad PDB record found on line 103199  
ATOM 1931e H1 TIP3W4599 47.933 -30.029 -57.686 0.00 0.00 WT5  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 19320  
Duplicate atom serial number found: 19321  
Duplicate atom serial number found: 19322  
Duplicate atom serial number found: 19323  
Duplicate atom serial number found: 19324  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 103211  
ATOM 1932a H1 TIP3W4603 -23.381 1.278 -2.814 0.00 0.00 WT5  
  
Ignored bad PDB record found on line 103212  
ATOM 1932b H2 TIP3W4603 -24.133 2.086 -1.778 0.00 0.00 WT5  
  
Ignored bad PDB record found on line 103213  
ATOM 1932c OH2 TIP3W4604 19.999 -25.457 -17.556 0.00 0.00 WT5  
  
Ignored bad PDB record found on line 103214  
ATOM 1932d H1 TIP3W4604 20.404 -25.364 -18.418 0.00 0.00 WT5  
  
Ignored bad PDB record found on line 103215  
ATOM 1932e H2 TIP3W4604 20.689 -25.824 -17.005 0.00 0.00 WT5  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 19330  
Duplicate atom serial number found: 19331  
Duplicate atom serial number found: 19332  
Duplicate atom serial number found: 19333  
Duplicate atom serial number found: 19334  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 103227  
ATOM 1933a H2 TIP3W4608 59.463 -44.739 -40.522 0.00 0.00 WT5  
  
Ignored bad PDB record found on line 103228  
ATOM 1933b OH2 TIP3W4609 38.300 10.348 -32.892 0.00 0.00 WT5  
  
Ignored bad PDB record found on line 103229  
ATOM 1933c H1 TIP3W4609 38.972 9.968 -33.458 0.00 0.00 WT5  
  
Ignored bad PDB record found on line 103230  
ATOM 1933d H2 TIP3W4609 38.734 11.090 -32.470 0.00 0.00 WT5  
  
Ignored bad PDB record found on line 103231  
ATOM 1933e OH2 TIP3W4610 31.227 -36.731 -5.701 0.00 0.00 WT5  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 19340  
Duplicate atom serial number found: 19341  
Duplicate atom serial number found: 19342  
Duplicate atom serial number found: 19343  
Duplicate atom serial number found: 19344  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 103243  
ATOM 1934a OH2 TIP3W4614 -13.889 -15.192 -50.804 0.00 0.00 WT5  
  
Ignored bad PDB record found on line 103244  
ATOM 1934b H1 TIP3W4614 -13.474 -14.345 -50.968 0.00 0.00 WT5  
  
Ignored bad PDB record found on line 103245  
ATOM 1934c H2 TIP3W4614 -14.412 -15.054 -50.014 0.00 0.00 WT5  
  
Ignored bad PDB record found on line 103246  
ATOM 1934d OH2 TIP3W4615 38.924 -19.301 -49.341 0.00 0.00 WT5  
  
Ignored bad PDB record found on line 103247  
ATOM 1934e H1 TIP3W4615 38.061 -19.541 -49.003 0.00 0.00 WT5  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 19350  
Duplicate atom serial number found: 19351  
Duplicate atom serial number found: 19352  
Duplicate atom serial number found: 19353  
Duplicate atom serial number found: 19354  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 103259  
ATOM 1935a H1 TIP3W4620 -19.882 -44.072 42.139 0.00 0.00 WT5  
  
Ignored bad PDB record found on line 103260  
ATOM 1935b H2 TIP3W4620 -20.467 -42.986 43.018 0.00 0.00 WT5  
  
Ignored bad PDB record found on line 103261  
ATOM 1935c OH2 TIP3W4621 33.405 -17.822 21.539 0.00 0.00 WT5  
  
Ignored bad PDB record found on line 103262  
ATOM 1935d H1 TIP3W4621 32.853 -17.630 20.781 0.00 0.00 WT5  
  
Ignored bad PDB record found on line 103263  
ATOM 1935e H2 TIP3W4621 33.442 -18.778 21.572 0.00 0.00 WT5  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 19360  
Duplicate atom serial number found: 19361  
Duplicate atom serial number found: 19362  
Duplicate atom serial number found: 19363  
Duplicate atom serial number found: 19364  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 103275  
ATOM 1936a H2 TIP3W4625 17.762 16.196 46.690 0.00 0.00 WT5  
  
Ignored bad PDB record found on line 103276  
ATOM 1936b OH2 TIP3W4626 -53.164 4.509 -56.079 0.00 0.00 WT5  
  
Ignored bad PDB record found on line 103277  
ATOM 1936c H1 TIP3W4626 -53.480 3.974 -55.351 0.00 0.00 WT5  
  
Ignored bad PDB record found on line 103278  
ATOM 1936d H2 TIP3W4626 -52.250 4.692 -55.863 0.00 0.00 WT5  
  
Ignored bad PDB record found on line 103279  
ATOM 1936e OH2 TIP3W4627 28.948 -6.265 0.436 0.00 0.00 WT5  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 19370  
Duplicate atom serial number found: 19371  
Duplicate atom serial number found: 19372  
Duplicate atom serial number found: 19373  
Duplicate atom serial number found: 19374  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 103291  
ATOM 1937a OH2 TIP3W4631 -11.049 7.210 56.456 0.00 0.00 WT5  
  
Ignored bad PDB record found on line 103292  
ATOM 1937b H1 TIP3W4631 -11.123 8.164 56.503 0.00 0.00 WT5  
  
Ignored bad PDB record found on line 103293  
ATOM 1937c H2 TIP3W4631 -11.926 6.891 56.668 0.00 0.00 WT5  
  
Ignored bad PDB record found on line 103294  
ATOM 1937d OH2 TIP3W4632 19.252 44.892 -9.207 0.00 0.00 WT5  
  
Ignored bad PDB record found on line 103295  
ATOM 1937e H1 TIP3W4632 18.597 44.821 -9.901 0.00 0.00 WT5  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 19380  
Duplicate atom serial number found: 19381  
Duplicate atom serial number found: 19382  
Duplicate atom serial number found: 19383  
Duplicate atom serial number found: 19384  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 103307  
ATOM 1938a H1 TIP3W4636 2.598 -40.223 -7.201 0.00 0.00 WT5  
  
Ignored bad PDB record found on line 103308  
ATOM 1938b H2 TIP3W4636 1.565 -41.329 -7.196 0.00 0.00 WT5  
  
Ignored bad PDB record found on line 103309  
ATOM 1938c OH2 TIP3W4637 -41.490 -53.204 20.412 0.00 0.00 WT5  
  
Ignored bad PDB record found on line 103310  
ATOM 1938d H1 TIP3W4637 -41.085 -52.337 20.442 0.00 0.00 WT5  
  
Ignored bad PDB record found on line 103311  
ATOM 1938e H2 TIP3W4637 -41.015 -53.714 21.068 0.00 0.00 WT5  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 19390  
Duplicate atom serial number found: 19391  
Duplicate atom serial number found: 19392  
Duplicate atom serial number found: 19393  
Duplicate atom serial number found: 19394  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 103323  
ATOM 1939a H2 TIP3W4641 -42.556 32.893 -45.468 0.00 0.00 WT5  
  
Ignored bad PDB record found on line 103324  
ATOM 1939b OH2 TIP3W4642 51.003 46.537 0.407 0.00 0.00 WT5  
  
Ignored bad PDB record found on line 103325  
ATOM 1939c H1 TIP3W4642 51.384 45.724 0.739 0.00 0.00 WT5  
  
Ignored bad PDB record found on line 103326  
ATOM 1939d H2 TIP3W4642 51.698 46.928 -0.122 0.00 0.00 WT5  
  
Ignored bad PDB record found on line 103327  
ATOM 1939e OH2 TIP3W4643 -20.221 22.310 -55.722 0.00 0.00 WT5  
  
97 messages similar to the above omitted  
Duplicate atom serial number found: 19400  
Duplicate atom serial number found: 19401  
Duplicate atom serial number found: 19402  
Duplicate atom serial number found: 19403  
Duplicate atom serial number found: 19404  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 103435  
ATOM 1940a OH2 TIP3W4679 53.835 33.472 -26.938 0.00 0.00 WT5  
  
Ignored bad PDB record found on line 103436  
ATOM 1940b H1 TIP3W4679 53.543 33.826 -27.778 0.00 0.00 WT5  
  
Ignored bad PDB record found on line 103437  
ATOM 1940c H2 TIP3W4679 54.789 33.437 -27.011 0.00 0.00 WT5  
  
Ignored bad PDB record found on line 103438  
ATOM 1940d OH2 TIP3W4680 32.917 -39.113 46.359 0.00 0.00 WT5  
  
Ignored bad PDB record found on line 103439  
ATOM 1940e H1 TIP3W4680 32.468 -39.080 47.203 0.00 0.00 WT5  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 19410  
Duplicate atom serial number found: 19411  
Duplicate atom serial number found: 19412  
Duplicate atom serial number found: 19413  
Duplicate atom serial number found: 19414  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 103451  
ATOM 1941a H1 TIP3W4685 21.229 -4.844 -57.322 0.00 0.00 WT5  
  
Ignored bad PDB record found on line 103452  
ATOM 1941b H2 TIP3W4685 22.566 -4.213 -56.999 0.00 0.00 WT5  
  
Ignored bad PDB record found on line 103453  
ATOM 1941c OH2 TIP3W4686 22.883 54.648 -27.813 0.00 0.00 WT5  
  
Ignored bad PDB record found on line 103454  
ATOM 1941d H1 TIP3W4686 22.196 54.183 -27.334 0.00 0.00 WT5  
  
Ignored bad PDB record found on line 103455  
ATOM 1941e H2 TIP3W4686 23.697 54.371 -27.394 0.00 0.00 WT5  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 19420  
Duplicate atom serial number found: 19421  
Duplicate atom serial number found: 19422  
Duplicate atom serial number found: 19423  
Duplicate atom serial number found: 19424  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 103467  
ATOM 1942a H2 TIP3W4690 19.423 54.386 -58.037 0.00 0.00 WT5  
  
Ignored bad PDB record found on line 103468  
ATOM 1942b OH2 TIP3W4691 8.440 -16.765 43.752 0.00 0.00 WT5  
  
Ignored bad PDB record found on line 103469  
ATOM 1942c H1 TIP3W4691 8.903 -16.281 43.069 0.00 0.00 WT5  
  
Ignored bad PDB record found on line 103470  
ATOM 1942d H2 TIP3W4691 8.268 -17.623 43.364 0.00 0.00 WT5  
  
Ignored bad PDB record found on line 103471  
ATOM 1942e OH2 TIP3W4692 -30.987 55.055 -20.730 0.00 0.00 WT5  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 19430  
Duplicate atom serial number found: 19431  
Duplicate atom serial number found: 19432  
Duplicate atom serial number found: 19433  
Duplicate atom serial number found: 19434  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 103483  
ATOM 1943a OH2 TIP3W4697 36.670 4.974 -40.206 0.00 0.00 WT5  
  
Ignored bad PDB record found on line 103484  
ATOM 1943b H1 TIP3W4697 36.381 5.501 -39.460 0.00 0.00 WT5  
  
Ignored bad PDB record found on line 103485  
ATOM 1943c H2 TIP3W4697 37.329 5.515 -40.641 0.00 0.00 WT5  
  
Ignored bad PDB record found on line 103486  
ATOM 1943d OH2 TIP3W4698 28.673 35.489 -16.682 0.00 0.00 WT5  
  
Ignored bad PDB record found on line 103487  
ATOM 1943e H1 TIP3W4698 27.721 35.576 -16.639 0.00 0.00 WT5  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 19440  
Duplicate atom serial number found: 19441  
Duplicate atom serial number found: 19442  
Duplicate atom serial number found: 19443  
Duplicate atom serial number found: 19444  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 103499  
ATOM 1944a H1 TIP3W4702 -52.364 12.116 5.820 0.00 0.00 WT5  
  
Ignored bad PDB record found on line 103500  
ATOM 1944b H2 TIP3W4702 -53.203 11.723 7.017 0.00 0.00 WT5  
  
Ignored bad PDB record found on line 103501  
ATOM 1944c OH2 TIP3W4703 29.675 -35.258 -37.616 0.00 0.00 WT5  
  
Ignored bad PDB record found on line 103502  
ATOM 1944d H1 TIP3W4703 30.298 -35.958 -37.811 0.00 0.00 WT5  
  
Ignored bad PDB record found on line 103503  
ATOM 1944e H2 TIP3W4703 29.925 -34.544 -38.203 0.00 0.00 WT5  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 19450  
Duplicate atom serial number found: 19451  
Duplicate atom serial number found: 19452  
Duplicate atom serial number found: 19453  
Duplicate atom serial number found: 19454  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 103515  
ATOM 1945a H2 TIP3W4707 -54.104 -23.188 12.079 0.00 0.00 WT5  
  
Ignored bad PDB record found on line 103516  
ATOM 1945b OH2 TIP3W4708 -56.761 -15.660 -14.532 0.00 0.00 WT5  
  
Ignored bad PDB record found on line 103517  
ATOM 1945c H1 TIP3W4708 -56.874 -16.353 -13.881 0.00 0.00 WT5  
  
Ignored bad PDB record found on line 103518  
ATOM 1945d H2 TIP3W4708 -57.556 -15.699 -15.064 0.00 0.00 WT5  
  
Ignored bad PDB record found on line 103519  
ATOM 1945e OH2 TIP3W4710 -56.417 -2.204 18.387 0.00 0.00 WT5  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 19460  
Duplicate atom serial number found: 19461  
Duplicate atom serial number found: 19462  
Duplicate atom serial number found: 19463  
Duplicate atom serial number found: 19464  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 103531  
ATOM 1946a OH2 TIP3W4714 0.104 -27.232 26.471 0.00 0.00 WT5  
  
Ignored bad PDB record found on line 103532  
ATOM 1946b H1 TIP3W4714 0.172 -26.541 25.813 0.00 0.00 WT5  
  
Ignored bad PDB record found on line 103533  
ATOM 1946c H2 TIP3W4714 -0.426 -26.847 27.170 0.00 0.00 WT5  
  
Ignored bad PDB record found on line 103534  
ATOM 1946d OH2 TIP3W4715 -44.951 12.009 -55.155 0.00 0.00 WT5  
  
Ignored bad PDB record found on line 103535  
ATOM 1946e H1 TIP3W4715 -45.775 11.840 -54.697 0.00 0.00 WT5  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 19470  
Duplicate atom serial number found: 19471  
Duplicate atom serial number found: 19472  
Duplicate atom serial number found: 19473  
Duplicate atom serial number found: 19474  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 103547  
ATOM 1947a H1 TIP3W4719 2.302 -13.475 -41.792 0.00 0.00 WT5  
  
Ignored bad PDB record found on line 103548  
ATOM 1947b H2 TIP3W4719 2.712 -14.028 -40.444 0.00 0.00 WT5  
  
Ignored bad PDB record found on line 103549  
ATOM 1947c OH2 TIP3W4720 -4.591 -42.837 1.204 0.00 0.00 WT5  
  
Ignored bad PDB record found on line 103550  
ATOM 1947d H1 TIP3W4720 -4.596 -43.519 0.532 0.00 0.00 WT5  
  
Ignored bad PDB record found on line 103551  
ATOM 1947e H2 TIP3W4720 -5.513 -42.711 1.425 0.00 0.00 WT5  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 19480  
Duplicate atom serial number found: 19481  
Duplicate atom serial number found: 19482  
Duplicate atom serial number found: 19483  
Duplicate atom serial number found: 19484  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 103563  
ATOM 1948a H2 TIP3W4724 -18.638 -24.893 11.731 0.00 0.00 WT5  
  
Ignored bad PDB record found on line 103564  
ATOM 1948b OH2 TIP3W4725 -14.949 -36.532 36.398 0.00 0.00 WT5  
  
Ignored bad PDB record found on line 103565  
ATOM 1948c H1 TIP3W4725 -14.758 -37.453 36.221 0.00 0.00 WT5  
  
Ignored bad PDB record found on line 103566  
ATOM 1948d H2 TIP3W4725 -15.855 -36.530 36.707 0.00 0.00 WT5  
  
Ignored bad PDB record found on line 103567  
ATOM 1948e OH2 TIP3W4726 -19.901 22.093 -40.501 0.00 0.00 WT5  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 19490  
Duplicate atom serial number found: 19491  
Duplicate atom serial number found: 19492  
Duplicate atom serial number found: 19493  
Duplicate atom serial number found: 19494  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 103579  
ATOM 1949a OH2 TIP3W4730 25.191 -38.296 -61.158 0.00 0.00 WT5  
  
Ignored bad PDB record found on line 103580  
ATOM 1949b H1 TIP3W4730 25.015 -38.041 -60.252 0.00 0.00 WT5  
  
Ignored bad PDB record found on line 103581  
ATOM 1949c H2 TIP3W4730 25.043 -37.498 -61.665 0.00 0.00 WT5  
  
Ignored bad PDB record found on line 103582  
ATOM 1949d OH2 TIP3W4731 47.819 -10.436 -15.471 0.00 0.00 WT5  
  
Ignored bad PDB record found on line 103583  
ATOM 1949e H1 TIP3W4731 48.775 -10.470 -15.490 0.00 0.00 WT5  
  
97 messages similar to the above omitted  
Duplicate atom serial number found: 19500  
Duplicate atom serial number found: 19501  
Duplicate atom serial number found: 19502  
Duplicate atom serial number found: 19503  
Duplicate atom serial number found: 19504  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 103691  
ATOM 1950a H1 TIP3W4769 -7.365 10.311 -43.297 0.00 0.00 WT5  
  
Ignored bad PDB record found on line 103692  
ATOM 1950b H2 TIP3W4769 -8.427 9.882 -44.287 0.00 0.00 WT5  
  
Ignored bad PDB record found on line 103693  
ATOM 1950c OH2 TIP3W4770 -36.626 29.498 6.668 0.00 0.00 WT5  
  
Ignored bad PDB record found on line 103694  
ATOM 1950d H1 TIP3W4770 -35.712 29.620 6.926 0.00 0.00 WT5  
  
Ignored bad PDB record found on line 103695  
ATOM 1950e H2 TIP3W4770 -36.873 28.656 7.050 0.00 0.00 WT5  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 19510  
Duplicate atom serial number found: 19511  
Duplicate atom serial number found: 19512  
Duplicate atom serial number found: 19513  
Duplicate atom serial number found: 19514  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 103707  
ATOM 1951a H2 TIP3W4774 55.264 21.965 -54.377 0.00 0.00 WT5  
  
Ignored bad PDB record found on line 103708  
ATOM 1951b OH2 TIP3W4775 28.432 -26.040 -2.909 0.00 0.00 WT5  
  
Ignored bad PDB record found on line 103709  
ATOM 1951c H1 TIP3W4775 28.004 -25.454 -2.285 0.00 0.00 WT5  
  
Ignored bad PDB record found on line 103710  
ATOM 1951d H2 TIP3W4775 28.683 -25.472 -3.638 0.00 0.00 WT5  
  
Ignored bad PDB record found on line 103711  
ATOM 1951e OH2 TIP3W4777 17.172 -51.979 5.908 0.00 0.00 WT5  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 19520  
Duplicate atom serial number found: 19521  
Duplicate atom serial number found: 19522  
Duplicate atom serial number found: 19523  
Duplicate atom serial number found: 19524  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 103723  
ATOM 1952a OH2 TIP3W4781 -41.358 -59.782 -2.719 0.00 0.00 WT5  
  
Ignored bad PDB record found on line 103724  
ATOM 1952b H1 TIP3W4781 -42.020 -59.923 -3.395 0.00 0.00 WT5  
  
Ignored bad PDB record found on line 103725  
ATOM 1952c H2 TIP3W4781 -41.859 -59.533 -1.942 0.00 0.00 WT5  
  
Ignored bad PDB record found on line 103726  
ATOM 1952d OH2 TIP3W4782 47.264 -44.172 -58.122 0.00 0.00 WT5  
  
Ignored bad PDB record found on line 103727  
ATOM 1952e H1 TIP3W4782 47.120 -45.099 -57.932 0.00 0.00 WT5  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 19530  
Duplicate atom serial number found: 19531  
Duplicate atom serial number found: 19532  
Duplicate atom serial number found: 19533  
Duplicate atom serial number found: 19534  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 103739  
ATOM 1953a H1 TIP3W4786 -50.159 -35.232 -47.236 0.00 0.00 WT5  
  
Ignored bad PDB record found on line 103740  
ATOM 1953b H2 TIP3W4786 -51.288 -35.910 -46.489 0.00 0.00 WT5  
  
Ignored bad PDB record found on line 103741  
ATOM 1953c OH2 TIP3W4787 5.329 3.417 -28.217 0.00 0.00 WT5  
  
Ignored bad PDB record found on line 103742  
ATOM 1953d H1 TIP3W4787 4.628 2.945 -27.769 0.00 0.00 WT5  
  
Ignored bad PDB record found on line 103743  
ATOM 1953e H2 TIP3W4787 4.885 4.136 -28.667 0.00 0.00 WT5  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 19540  
Duplicate atom serial number found: 19541  
Duplicate atom serial number found: 19542  
Duplicate atom serial number found: 19543  
Duplicate atom serial number found: 19544  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 103755  
ATOM 1954a H2 TIP3W4792 5.390 42.552 -7.869 0.00 0.00 WT5  
  
Ignored bad PDB record found on line 103756  
ATOM 1954b OH2 TIP3W4793 35.997 -2.637 -45.238 0.00 0.00 WT5  
  
Ignored bad PDB record found on line 103757  
ATOM 1954c H1 TIP3W4793 36.858 -2.315 -44.969 0.00 0.00 WT5  
  
Ignored bad PDB record found on line 103758  
ATOM 1954d H2 TIP3W4793 35.807 -2.166 -46.049 0.00 0.00 WT5  
  
Ignored bad PDB record found on line 103759  
ATOM 1954e OH2 TIP3W4794 -10.081 54.744 -53.997 0.00 0.00 WT5  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 19550  
Duplicate atom serial number found: 19551  
Duplicate atom serial number found: 19552  
Duplicate atom serial number found: 19553  
Duplicate atom serial number found: 19554  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 103771  
ATOM 1955a OH2 TIP3W4799 2.808 -38.964 26.331 0.00 0.00 WT5  
  
Ignored bad PDB record found on line 103772  
ATOM 1955b H1 TIP3W4799 2.791 -38.057 26.026 0.00 0.00 WT5  
  
Ignored bad PDB record found on line 103773  
ATOM 1955c H2 TIP3W4799 3.686 -39.274 26.112 0.00 0.00 WT5  
  
Ignored bad PDB record found on line 103774  
ATOM 1955d OH2 TIP3W4800 7.526 -28.975 -25.309 0.00 0.00 WT5  
  
Ignored bad PDB record found on line 103775  
ATOM 1955e H1 TIP3W4800 7.948 -28.490 -26.018 0.00 0.00 WT5  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 19560  
Duplicate atom serial number found: 19561  
Duplicate atom serial number found: 19562  
Duplicate atom serial number found: 19563  
Duplicate atom serial number found: 19564  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 103787  
ATOM 1956a H1 TIP3W4804 19.937 -16.380 -57.436 0.00 0.00 WT5  
  
Ignored bad PDB record found on line 103788  
ATOM 1956b H2 TIP3W4804 21.412 -16.048 -57.364 0.00 0.00 WT5  
  
Ignored bad PDB record found on line 103789  
ATOM 1956c OH2 TIP3W4805 51.534 36.408 -2.095 0.00 0.00 WT5  
  
Ignored bad PDB record found on line 103790  
ATOM 1956d H1 TIP3W4805 51.754 35.480 -2.014 0.00 0.00 WT5  
  
Ignored bad PDB record found on line 103791  
ATOM 1956e H2 TIP3W4805 50.582 36.420 -2.197 0.00 0.00 WT5  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 19570  
Duplicate atom serial number found: 19571  
Duplicate atom serial number found: 19572  
Duplicate atom serial number found: 19573  
Duplicate atom serial number found: 19574  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 103803  
ATOM 1957a H2 TIP3W4809 54.823 32.366 -34.305 0.00 0.00 WT5  
  
Ignored bad PDB record found on line 103804  
ATOM 1957b OH2 TIP3W4811 17.251 15.528 -15.240 0.00 0.00 WT5  
  
Ignored bad PDB record found on line 103805  
ATOM 1957c H1 TIP3W4811 17.803 14.948 -14.715 0.00 0.00 WT5  
  
Ignored bad PDB record found on line 103806  
ATOM 1957d H2 TIP3W4811 17.832 15.857 -15.926 0.00 0.00 WT5  
  
Ignored bad PDB record found on line 103807  
ATOM 1957e OH2 TIP3W4812 -47.973 -27.808 -52.038 0.00 0.00 WT5  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 19580  
Duplicate atom serial number found: 19581  
Duplicate atom serial number found: 19582  
Duplicate atom serial number found: 19583  
Duplicate atom serial number found: 19584  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 103819  
ATOM 1958a OH2 TIP3W4816 -30.100 16.257 -25.414 0.00 0.00 WT5  
  
Ignored bad PDB record found on line 103820  
ATOM 1958b H1 TIP3W4816 -31.030 16.278 -25.639 0.00 0.00 WT5  
  
Ignored bad PDB record found on line 103821  
ATOM 1958c H2 TIP3W4816 -29.750 15.516 -25.909 0.00 0.00 WT5  
  
Ignored bad PDB record found on line 103822  
ATOM 1958d OH2 TIP3W4817 -12.131 -26.066 -7.436 0.00 0.00 WT5  
  
Ignored bad PDB record found on line 103823  
ATOM 1958e H1 TIP3W4817 -12.088 -25.768 -6.527 0.00 0.00 WT5  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 19590  
Duplicate atom serial number found: 19591  
Duplicate atom serial number found: 19592  
Duplicate atom serial number found: 19593  
Duplicate atom serial number found: 19594  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 103835  
ATOM 1959a H1 TIP3W4821 27.416 -60.786 15.449 0.00 0.00 WT5  
  
Ignored bad PDB record found on line 103836  
ATOM 1959b H2 TIP3W4821 27.597 -59.321 15.111 0.00 0.00 WT5  
  
Ignored bad PDB record found on line 103837  
ATOM 1959c OH2 TIP3W4822 -17.353 54.354 -14.239 0.00 0.00 WT5  
  
Ignored bad PDB record found on line 103838  
ATOM 1959d H1 TIP3W4822 -17.389 54.838 -13.414 0.00 0.00 WT5  
  
Ignored bad PDB record found on line 103839  
ATOM 1959e H2 TIP3W4822 -16.428 54.129 -14.345 0.00 0.00 WT5  
  
97 messages similar to the above omitted  
Duplicate atom serial number found: 19600  
Duplicate atom serial number found: 19601  
Duplicate atom serial number found: 19602  
Duplicate atom serial number found: 19603  
Duplicate atom serial number found: 19604  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 103947  
ATOM 1960a H2 TIP3W4860 46.256 -54.335 -39.302 0.00 0.00 WT5  
  
Ignored bad PDB record found on line 103948  
ATOM 1960b OH2 TIP3W4861 37.737 45.374 -23.783 0.00 0.00 WT5  
  
Ignored bad PDB record found on line 103949  
ATOM 1960c H1 TIP3W4861 37.093 44.992 -24.378 0.00 0.00 WT5  
  
Ignored bad PDB record found on line 103950  
ATOM 1960d H2 TIP3W4861 37.791 44.753 -23.057 0.00 0.00 WT5  
  
Ignored bad PDB record found on line 103951  
ATOM 1960e OH2 TIP3W4862 53.596 22.395 -45.257 0.00 0.00 WT5  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 19610  
Duplicate atom serial number found: 19611  
Duplicate atom serial number found: 19612  
Duplicate atom serial number found: 19613  
Duplicate atom serial number found: 19614  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 103963  
ATOM 1961a OH2 TIP3W4867 40.707 50.634 -6.653 0.00 0.00 WT5  
  
Ignored bad PDB record found on line 103964  
ATOM 1961b H1 TIP3W4867 41.274 49.947 -6.303 0.00 0.00 WT5  
  
Ignored bad PDB record found on line 103965  
ATOM 1961c H2 TIP3W4867 41.225 51.435 -6.575 0.00 0.00 WT5  
  
Ignored bad PDB record found on line 103966  
ATOM 1961d OH2 TIP3W4868 -46.651 -2.415 -52.379 0.00 0.00 WT5  
  
Ignored bad PDB record found on line 103967  
ATOM 1961e H1 TIP3W4868 -46.431 -1.819 -51.663 0.00 0.00 WT5  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 19620  
Duplicate atom serial number found: 19621  
Duplicate atom serial number found: 19622  
Duplicate atom serial number found: 19623  
Duplicate atom serial number found: 19624  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 103979  
ATOM 1962a H1 TIP3W4872 -22.972 -24.476 7.273 0.00 0.00 WT5  
  
Ignored bad PDB record found on line 103980  
ATOM 1962b H2 TIP3W4872 -23.551 -23.807 8.501 0.00 0.00 WT5  
  
Ignored bad PDB record found on line 103981  
ATOM 1962c OH2 TIP3W4873 -15.906 -1.532 25.316 0.00 0.00 WT5  
  
Ignored bad PDB record found on line 103982  
ATOM 1962d H1 TIP3W4873 -15.523 -1.545 26.193 0.00 0.00 WT5  
  
Ignored bad PDB record found on line 103983  
ATOM 1962e H2 TIP3W4873 -16.165 -2.439 25.154 0.00 0.00 WT5  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 19630  
Duplicate atom serial number found: 19631  
Duplicate atom serial number found: 19632  
Duplicate atom serial number found: 19633  
Duplicate atom serial number found: 19634  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 103995  
ATOM 1963a H2 TIP3W4877 -35.269 -59.044 -15.720 0.00 0.00 WT5  
  
Ignored bad PDB record found on line 103996  
ATOM 1963b OH2 TIP3W4878 15.365 37.276 49.555 0.00 0.00 WT5  
  
Ignored bad PDB record found on line 103997  
ATOM 1963c H1 TIP3W4878 14.810 37.383 50.328 0.00 0.00 WT5  
  
Ignored bad PDB record found on line 103998  
ATOM 1963d H2 TIP3W4878 14.982 36.536 49.085 0.00 0.00 WT5  
  
Ignored bad PDB record found on line 103999  
ATOM 1963e OH2 TIP3W4879 -34.148 20.492 36.549 0.00 0.00 WT5  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 19640  
Duplicate atom serial number found: 19641  
Duplicate atom serial number found: 19642  
Duplicate atom serial number found: 19643  
Duplicate atom serial number found: 19644  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 104011  
ATOM 1964a OH2 TIP3W4883 4.980 20.373 -44.372 0.00 0.00 WT5  
  
Ignored bad PDB record found on line 104012  
ATOM 1964b H1 TIP3W4883 5.482 20.608 -43.591 0.00 0.00 WT5  
  
Ignored bad PDB record found on line 104013  
ATOM 1964c H2 TIP3W4883 4.547 21.186 -44.633 0.00 0.00 WT5  
  
Ignored bad PDB record found on line 104014  
ATOM 1964d OH2 TIP3W4884 -15.186 -43.583 -37.475 0.00 0.00 WT5  
  
Ignored bad PDB record found on line 104015  
ATOM 1964e H1 TIP3W4884 -14.349 -44.015 -37.308 0.00 0.00 WT5  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 19650  
Duplicate atom serial number found: 19651  
Duplicate atom serial number found: 19652  
Duplicate atom serial number found: 19653  
Duplicate atom serial number found: 19654  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 104027  
ATOM 1965a H1 TIP3W4889 -23.056 59.086 26.308 0.00 0.00 WT5  
  
Ignored bad PDB record found on line 104028  
ATOM 1965b H2 TIP3W4889 -22.966 58.128 25.139 0.00 0.00 WT5  
  
Ignored bad PDB record found on line 104029  
ATOM 1965c OH2 TIP3W4890 22.387 3.906 -53.254 0.00 0.00 WT5  
  
Ignored bad PDB record found on line 104030  
ATOM 1965d H1 TIP3W4890 22.081 3.063 -52.919 0.00 0.00 WT5  
  
Ignored bad PDB record found on line 104031  
ATOM 1965e H2 TIP3W4890 23.192 4.080 -52.766 0.00 0.00 WT5  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 19660  
Duplicate atom serial number found: 19661  
Duplicate atom serial number found: 19662  
Duplicate atom serial number found: 19663  
Duplicate atom serial number found: 19664  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 104043  
ATOM 1966a H2 TIP3W4896 -19.867 -31.075 -1.703 0.00 0.00 WT5  
  
Ignored bad PDB record found on line 104044  
ATOM 1966b OH2 TIP3W4897 49.927 -6.159 -46.248 0.00 0.00 WT5  
  
Ignored bad PDB record found on line 104045  
ATOM 1966c H1 TIP3W4897 50.354 -6.692 -46.918 0.00 0.00 WT5  
  
Ignored bad PDB record found on line 104046  
ATOM 1966d H2 TIP3W4897 49.063 -5.964 -46.611 0.00 0.00 WT5  
  
Ignored bad PDB record found on line 104047  
ATOM 1966e OH2 TIP3W4898 -52.433 -35.931 25.359 0.00 0.00 WT5  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 19670  
Duplicate atom serial number found: 19671  
Duplicate atom serial number found: 19672  
Duplicate atom serial number found: 19673  
Duplicate atom serial number found: 19674  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 104059  
ATOM 1967a OH2 TIP3W4902 -41.964 -22.961 -18.073 0.00 0.00 WT5  
  
Ignored bad PDB record found on line 104060  
ATOM 1967b H1 TIP3W4902 -41.922 -23.305 -17.181 0.00 0.00 WT5  
  
Ignored bad PDB record found on line 104061  
ATOM 1967c H2 TIP3W4902 -42.689 -22.336 -18.055 0.00 0.00 WT5  
  
Ignored bad PDB record found on line 104062  
ATOM 1967d OH2 TIP3W4903 20.802 57.584 -7.634 0.00 0.00 WT5  
  
Ignored bad PDB record found on line 104063  
ATOM 1967e H1 TIP3W4903 20.801 58.118 -6.840 0.00 0.00 WT5  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 19680  
Duplicate atom serial number found: 19681  
Duplicate atom serial number found: 19682  
Duplicate atom serial number found: 19683  
Duplicate atom serial number found: 19684  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 104075  
ATOM 1968a H1 TIP3W4907 54.068 28.778 -51.738 0.00 0.00 WT5  
  
Ignored bad PDB record found on line 104076  
ATOM 1968b H2 TIP3W4907 53.068 29.120 -50.654 0.00 0.00 WT5  
  
Ignored bad PDB record found on line 104077  
ATOM 1968c OH2 TIP3W4908 53.196 -41.650 -40.201 0.00 0.00 WT5  
  
Ignored bad PDB record found on line 104078  
ATOM 1968d H1 TIP3W4908 52.628 -42.287 -40.634 0.00 0.00 WT5  
  
Ignored bad PDB record found on line 104079  
ATOM 1968e H2 TIP3W4908 52.656 -41.282 -39.503 0.00 0.00 WT5  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 19690  
Duplicate atom serial number found: 19691  
Duplicate atom serial number found: 19692  
Duplicate atom serial number found: 19693  
Duplicate atom serial number found: 19694  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 104091  
ATOM 1969a H2 TIP3W4912 -44.771 58.323 -22.837 0.00 0.00 WT5  
  
Ignored bad PDB record found on line 104092  
ATOM 1969b OH2 TIP3W4913 5.181 24.886 -5.149 0.00 0.00 WT5  
  
Ignored bad PDB record found on line 104093  
ATOM 1969c H1 TIP3W4913 4.295 25.028 -5.482 0.00 0.00 WT5  
  
Ignored bad PDB record found on line 104094  
ATOM 1969d H2 TIP3W4913 5.318 23.942 -5.228 0.00 0.00 WT5  
  
Ignored bad PDB record found on line 104095  
ATOM 1969e OH2 TIP3W4914 -2.111 22.913 53.536 0.00 0.00 WT5  
  
97 messages similar to the above omitted  
Duplicate atom serial number found: 19700  
Duplicate atom serial number found: 19701  
Duplicate atom serial number found: 19702  
Duplicate atom serial number found: 19703  
Duplicate atom serial number found: 19704  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 104203  
ATOM 1970a OH2 TIP3W4954 15.212 15.776 -5.671 0.00 0.00 WT5  
  
Ignored bad PDB record found on line 104204  
ATOM 1970b H1 TIP3W4954 14.713 15.485 -4.907 0.00 0.00 WT5  
  
Ignored bad PDB record found on line 104205  
ATOM 1970c H2 TIP3W4954 14.796 15.336 -6.412 0.00 0.00 WT5  
  
Ignored bad PDB record found on line 104206  
ATOM 1970d OH2 TIP3W4956 -9.247 44.275 -25.778 0.00 0.00 WT5  
  
Ignored bad PDB record found on line 104207  
ATOM 1970e H1 TIP3W4956 -8.530 44.380 -25.153 0.00 0.00 WT5  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 19710  
Duplicate atom serial number found: 19711  
Duplicate atom serial number found: 19712  
Duplicate atom serial number found: 19713  
Duplicate atom serial number found: 19714  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 104219  
ATOM 1971a H1 TIP3W4961 -17.580 29.005 -22.693 0.00 0.00 WT5  
  
Ignored bad PDB record found on line 104220  
ATOM 1971b H2 TIP3W4961 -18.707 29.975 -22.978 0.00 0.00 WT5  
  
Ignored bad PDB record found on line 104221  
ATOM 1971c OH2 TIP3W4962 50.930 -10.144 50.504 0.00 0.00 WT5  
  
Ignored bad PDB record found on line 104222  
ATOM 1971d H1 TIP3W4962 50.440 -10.824 50.042 0.00 0.00 WT5  
  
Ignored bad PDB record found on line 104223  
ATOM 1971e H2 TIP3W4962 50.809 -10.348 51.431 0.00 0.00 WT5  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 19720  
Duplicate atom serial number found: 19721  
Duplicate atom serial number found: 19722  
Duplicate atom serial number found: 19723  
Duplicate atom serial number found: 19724  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 104235  
ATOM 1972a H2 TIP3W4966 2.182 40.741 -46.998 0.00 0.00 WT5  
  
Ignored bad PDB record found on line 104236  
ATOM 1972b OH2 TIP3W4967 -23.316 -37.760 52.514 0.00 0.00 WT5  
  
Ignored bad PDB record found on line 104237  
ATOM 1972c H1 TIP3W4967 -23.824 -37.052 52.119 0.00 0.00 WT5  
  
Ignored bad PDB record found on line 104238  
ATOM 1972d H2 TIP3W4967 -23.337 -38.462 51.864 0.00 0.00 WT5  
  
Ignored bad PDB record found on line 104239  
ATOM 1972e OH2 TIP3W4968 34.450 -36.683 -8.967 0.00 0.00 WT5  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 19730  
Duplicate atom serial number found: 19731  
Duplicate atom serial number found: 19732  
Duplicate atom serial number found: 19733  
Duplicate atom serial number found: 19734  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 104251  
ATOM 1973a OH2 TIP3W4974 39.789 21.939 -23.544 0.00 0.00 WT5  
  
Ignored bad PDB record found on line 104252  
ATOM 1973b H1 TIP3W4974 40.439 22.599 -23.784 0.00 0.00 WT5  
  
Ignored bad PDB record found on line 104253  
ATOM 1973c H2 TIP3W4974 40.251 21.105 -23.625 0.00 0.00 WT5  
  
Ignored bad PDB record found on line 104254  
ATOM 1973d OH2 TIP3W4975 2.533 25.749 -53.978 0.00 0.00 WT5  
  
Ignored bad PDB record found on line 104255  
ATOM 1973e H1 TIP3W4975 2.773 26.031 -53.095 0.00 0.00 WT5  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 19740  
Duplicate atom serial number found: 19741  
Duplicate atom serial number found: 19742  
Duplicate atom serial number found: 19743  
Duplicate atom serial number found: 19744  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 104267  
ATOM 1974a H1 TIP3W4979 16.777 -19.583 -27.008 0.00 0.00 WT5  
  
Ignored bad PDB record found on line 104268  
ATOM 1974b H2 TIP3W4979 16.089 -18.523 -27.841 0.00 0.00 WT5  
  
Ignored bad PDB record found on line 104269  
ATOM 1974c OH2 TIP3W4980 -27.536 51.490 39.647 0.00 0.00 WT5  
  
Ignored bad PDB record found on line 104270  
ATOM 1974d H1 TIP3W4980 -28.412 51.858 39.538 0.00 0.00 WT5  
  
Ignored bad PDB record found on line 104271  
ATOM 1974e H2 TIP3W4980 -27.145 52.006 40.353 0.00 0.00 WT5  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 19750  
Duplicate atom serial number found: 19751  
Duplicate atom serial number found: 19752  
Duplicate atom serial number found: 19753  
Duplicate atom serial number found: 19754  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 104283  
ATOM 1975a H2 TIP3W4985 -25.137 -17.716 -53.633 0.00 0.00 WT5  
  
Ignored bad PDB record found on line 104284  
ATOM 1975b OH2 TIP3W4986 1.641 -45.337 34.355 0.00 0.00 WT5  
  
Ignored bad PDB record found on line 104285  
ATOM 1975c H1 TIP3W4986 2.246 -45.358 33.613 0.00 0.00 WT5  
  
Ignored bad PDB record found on line 104286  
ATOM 1975d H2 TIP3W4986 0.772 -45.388 33.957 0.00 0.00 WT5  
  
Ignored bad PDB record found on line 104287  
ATOM 1975e OH2 TIP3W4987 28.994 39.146 32.379 0.00 0.00 WT5  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 19760  
Duplicate atom serial number found: 19761  
Duplicate atom serial number found: 19762  
Duplicate atom serial number found: 19763  
Duplicate atom serial number found: 19764  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 104299  
ATOM 1976a OH2 TIP3W4991 -33.569 -50.086 -2.159 0.00 0.00 WT5  
  
Ignored bad PDB record found on line 104300  
ATOM 1976b H1 TIP3W4991 -32.787 -50.565 -2.434 0.00 0.00 WT5  
  
Ignored bad PDB record found on line 104301  
ATOM 1976c H2 TIP3W4991 -34.033 -50.696 -1.585 0.00 0.00 WT5  
  
Ignored bad PDB record found on line 104302  
ATOM 1976d OH2 TIP3W4992 34.700 -19.482 16.527 0.00 0.00 WT5  
  
Ignored bad PDB record found on line 104303  
ATOM 1976e H1 TIP3W4992 35.573 -19.657 16.879 0.00 0.00 WT5  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 19770  
Duplicate atom serial number found: 19771  
Duplicate atom serial number found: 19772  
Duplicate atom serial number found: 19773  
Duplicate atom serial number found: 19774  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 104315  
ATOM 1977a H1 TIP3W4996 49.411 -3.042 -37.011 0.00 0.00 WT5  
  
Ignored bad PDB record found on line 104316  
ATOM 1977b H2 TIP3W4996 50.339 -3.406 -38.151 0.00 0.00 WT5  
  
Ignored bad PDB record found on line 104317  
ATOM 1977c OH2 TIP3W4997 -60.165 -18.028 -5.625 0.00 0.00 WT5  
  
Ignored bad PDB record found on line 104318  
ATOM 1977d H1 TIP3W4997 -60.621 -18.245 -6.438 0.00 0.00 WT5  
  
Ignored bad PDB record found on line 104319  
ATOM 1977e H2 TIP3W4997 -60.730 -17.382 -5.199 0.00 0.00 WT5  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 19780  
Duplicate atom serial number found: 19781  
Duplicate atom serial number found: 19782  
Duplicate atom serial number found: 19783  
Duplicate atom serial number found: 19784  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 104331  
ATOM 1978a H2 TIP3W5002 -52.436 8.163 -47.719 0.00 0.00 WT5  
  
Ignored bad PDB record found on line 104332  
ATOM 1978b OH2 TIP3W5003 6.009 -52.663 10.103 0.00 0.00 WT5  
  
Ignored bad PDB record found on line 104333  
ATOM 1978c H1 TIP3W5003 6.629 -52.628 10.831 0.00 0.00 WT5  
  
Ignored bad PDB record found on line 104334  
ATOM 1978d H2 TIP3W5003 5.583 -53.516 10.191 0.00 0.00 WT5  
  
Ignored bad PDB record found on line 104335  
ATOM 1978e OH2 TIP3W5004 43.798 1.560 32.071 0.00 0.00 WT5  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 19790  
Duplicate atom serial number found: 19791  
Duplicate atom serial number found: 19792  
Duplicate atom serial number found: 19793  
Duplicate atom serial number found: 19794  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 104347  
ATOM 1979a OH2 TIP3W5008 -10.824 -3.571 -41.215 0.00 0.00 WT5  
  
Ignored bad PDB record found on line 104348  
ATOM 1979b H1 TIP3W5008 -11.777 -3.641 -41.157 0.00 0.00 WT5  
  
Ignored bad PDB record found on line 104349  
ATOM 1979c H2 TIP3W5008 -10.499 -4.136 -40.515 0.00 0.00 WT5  
  
Ignored bad PDB record found on line 104350  
ATOM 1979d OH2 TIP3W5009 29.840 31.492 58.223 0.00 0.00 WT5  
  
Ignored bad PDB record found on line 104351  
ATOM 1979e H1 TIP3W5009 30.386 32.041 58.785 0.00 0.00 WT5  
  
97 messages similar to the above omitted  
Duplicate atom serial number found: 19800  
Duplicate atom serial number found: 19801  
Duplicate atom serial number found: 19802  
Duplicate atom serial number found: 19803  
Duplicate atom serial number found: 19804  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 104459  
ATOM 1980a H1 TIP3W5048 0.585 42.771 34.896 0.00 0.00 WT5  
  
Ignored bad PDB record found on line 104460  
ATOM 1980b H2 TIP3W5048 0.807 43.573 33.631 0.00 0.00 WT5  
  
Ignored bad PDB record found on line 104461  
ATOM 1980c OH2 TIP3W5049 7.038 -23.466 -2.235 0.00 0.00 WT5  
  
Ignored bad PDB record found on line 104462  
ATOM 1980d H1 TIP3W5049 7.149 -23.815 -1.351 0.00 0.00 WT5  
  
Ignored bad PDB record found on line 104463  
ATOM 1980e H2 TIP3W5049 7.861 -23.011 -2.418 0.00 0.00 WT5  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 19810  
Duplicate atom serial number found: 19811  
Duplicate atom serial number found: 19812  
Duplicate atom serial number found: 19813  
Duplicate atom serial number found: 19814  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 104475  
ATOM 1981a H2 TIP3W5054 -40.861 -7.442 -13.661 0.00 0.00 WT5  
  
Ignored bad PDB record found on line 104476  
ATOM 1981b OH2 TIP3W5055 38.423 38.978 14.585 0.00 0.00 WT5  
  
Ignored bad PDB record found on line 104477  
ATOM 1981c H1 TIP3W5055 38.307 39.074 15.530 0.00 0.00 WT5  
  
Ignored bad PDB record found on line 104478  
ATOM 1981d H2 TIP3W5055 37.562 39.176 14.216 0.00 0.00 WT5  
  
Ignored bad PDB record found on line 104479  
ATOM 1981e OH2 TIP3W5056 8.899 48.404 -21.350 0.00 0.00 WT5  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 19820  
Duplicate atom serial number found: 19821  
Duplicate atom serial number found: 19822  
Duplicate atom serial number found: 19823  
Duplicate atom serial number found: 19824  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 104491  
ATOM 1982a OH2 TIP3W5060 54.354 -24.608 43.338 0.00 0.00 WT5  
  
Ignored bad PDB record found on line 104492  
ATOM 1982b H1 TIP3W5060 54.287 -25.514 43.639 0.00 0.00 WT5  
  
Ignored bad PDB record found on line 104493  
ATOM 1982c H2 TIP3W5060 53.448 -24.334 43.197 0.00 0.00 WT5  
  
Ignored bad PDB record found on line 104494  
ATOM 1982d OH2 TIP3W5061 -27.226 7.375 -23.958 0.00 0.00 WT5  
  
Ignored bad PDB record found on line 104495  
ATOM 1982e H1 TIP3W5061 -26.434 6.883 -23.741 0.00 0.00 WT5  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 19830  
Duplicate atom serial number found: 19831  
Duplicate atom serial number found: 19832  
Duplicate atom serial number found: 19833  
Duplicate atom serial number found: 19834  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 104507  
ATOM 1983a H1 TIP3W5065 -12.487 11.332 -11.017 0.00 0.00 WT5  
  
Ignored bad PDB record found on line 104508  
ATOM 1983b H2 TIP3W5065 -11.621 11.453 -12.252 0.00 0.00 WT5  
  
Ignored bad PDB record found on line 104509  
ATOM 1983c OH2 TIP3W5066 -9.562 4.097 -32.915 0.00 0.00 WT5  
  
Ignored bad PDB record found on line 104510  
ATOM 1983d H1 TIP3W5066 -8.898 4.343 -33.559 0.00 0.00 WT5  
  
Ignored bad PDB record found on line 104511  
ATOM 1983e H2 TIP3W5066 -10.395 4.318 -33.332 0.00 0.00 WT5  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 19840  
Duplicate atom serial number found: 19841  
Duplicate atom serial number found: 19842  
Duplicate atom serial number found: 19843  
Duplicate atom serial number found: 19844  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 104523  
ATOM 1984a H2 TIP3W5070 19.174 32.755 -36.644 0.00 0.00 WT5  
  
Ignored bad PDB record found on line 104524  
ATOM 1984b OH2 TIP3W5071 35.810 3.401 -0.293 0.00 0.00 WT5  
  
Ignored bad PDB record found on line 104525  
ATOM 1984c H1 TIP3W5071 34.935 3.512 0.078 0.00 0.00 WT5  
  
Ignored bad PDB record found on line 104526  
ATOM 1984d H2 TIP3W5071 35.805 3.939 -1.084 0.00 0.00 WT5  
  
Ignored bad PDB record found on line 104527  
ATOM 1984e OH2 TIP3W5072 -1.390 42.075 27.010 0.00 0.00 WT5  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 19850  
Duplicate atom serial number found: 19851  
Duplicate atom serial number found: 19852  
Duplicate atom serial number found: 19853  
Duplicate atom serial number found: 19854  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 104539  
ATOM 1985a OH2 TIP3W5078 -19.866 -2.949 -58.045 0.00 0.00 WT5  
  
Ignored bad PDB record found on line 104540  
ATOM 1985b H1 TIP3W5078 -20.485 -3.252 -58.709 0.00 0.00 WT5  
  
Ignored bad PDB record found on line 104541  
ATOM 1985c H2 TIP3W5078 -19.784 -2.008 -58.205 0.00 0.00 WT5  
  
Ignored bad PDB record found on line 104542  
ATOM 1985d OH2 TIP3W5079 -15.407 -30.155 -54.483 0.00 0.00 WT5  
  
Ignored bad PDB record found on line 104543  
ATOM 1985e H1 TIP3W5079 -14.751 -29.698 -53.957 0.00 0.00 WT5  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 19860  
Duplicate atom serial number found: 19861  
Duplicate atom serial number found: 19862  
Duplicate atom serial number found: 19863  
Duplicate atom serial number found: 19864  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 104555  
ATOM 1986a H1 TIP3W5083 -28.859 53.772 -37.644 0.00 0.00 WT5  
  
Ignored bad PDB record found on line 104556  
ATOM 1986b H2 TIP3W5083 -28.620 55.266 -37.585 0.00 0.00 WT5  
  
Ignored bad PDB record found on line 104557  
ATOM 1986c OH2 TIP3W5084 49.242 45.970 -18.706 0.00 0.00 WT5  
  
Ignored bad PDB record found on line 104558  
ATOM 1986d H1 TIP3W5084 50.157 45.786 -18.917 0.00 0.00 WT5  
  
Ignored bad PDB record found on line 104559  
ATOM 1986e H2 TIP3W5084 49.133 45.645 -17.812 0.00 0.00 WT5  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 19870  
Duplicate atom serial number found: 19871  
Duplicate atom serial number found: 19872  
Duplicate atom serial number found: 19873  
Duplicate atom serial number found: 19874  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 104571  
ATOM 1987a H2 TIP3W5088 -37.635 52.378 56.663 0.00 0.00 WT5  
  
Ignored bad PDB record found on line 104572  
ATOM 1987b OH2 TIP3W5089 11.017 -24.505 -53.592 0.00 0.00 WT5  
  
Ignored bad PDB record found on line 104573  
ATOM 1987c H1 TIP3W5089 11.324 -23.890 -54.259 0.00 0.00 WT5  
  
Ignored bad PDB record found on line 104574  
ATOM 1987d H2 TIP3W5089 10.284 -24.056 -53.171 0.00 0.00 WT5  
  
Ignored bad PDB record found on line 104575  
ATOM 1987e OH2 TIP3W5090 -1.668 -24.996 -25.838 0.00 0.00 WT5  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 19880  
Duplicate atom serial number found: 19881  
Duplicate atom serial number found: 19882  
Duplicate atom serial number found: 19883  
Duplicate atom serial number found: 19884  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 104587  
ATOM 1988a OH2 TIP3W5094 -40.465 -17.326 22.003 0.00 0.00 WT5  
  
Ignored bad PDB record found on line 104588  
ATOM 1988b H1 TIP3W5094 -40.764 -17.197 21.103 0.00 0.00 WT5  
  
Ignored bad PDB record found on line 104589  
ATOM 1988c H2 TIP3W5094 -39.513 -17.229 21.956 0.00 0.00 WT5  
  
Ignored bad PDB record found on line 104590  
ATOM 1988d OH2 TIP3W5095 43.175 13.326 51.343 0.00 0.00 WT5  
  
Ignored bad PDB record found on line 104591  
ATOM 1988e H1 TIP3W5095 43.018 13.918 50.607 0.00 0.00 WT5  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 19890  
Duplicate atom serial number found: 19891  
Duplicate atom serial number found: 19892  
Duplicate atom serial number found: 19893  
Duplicate atom serial number found: 19894  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 104603  
ATOM 1989a H1 TIP3W5099 44.489 5.058 2.752 0.00 0.00 WT5  
  
Ignored bad PDB record found on line 104604  
ATOM 1989b H2 TIP3W5099 43.853 6.173 3.553 0.00 0.00 WT5  
  
Ignored bad PDB record found on line 104605  
ATOM 1989c OH2 TIP3W5100 32.267 47.381 11.634 0.00 0.00 WT5  
  
Ignored bad PDB record found on line 104606  
ATOM 1989d H1 TIP3W5100 32.204 47.932 12.414 0.00 0.00 WT5  
  
Ignored bad PDB record found on line 104607  
ATOM 1989e H2 TIP3W5100 31.588 47.716 11.048 0.00 0.00 WT5  
  
97 messages similar to the above omitted  
Duplicate atom serial number found: 19900  
Duplicate atom serial number found: 19901  
Duplicate atom serial number found: 19902  
Duplicate atom serial number found: 19903  
Duplicate atom serial number found: 19904  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 104715  
ATOM 1990a H2 TIP3W5140 -46.414 9.932 -7.421 0.00 0.00 WT5  
  
Ignored bad PDB record found on line 104716  
ATOM 1990b OH2 TIP3W5141 -54.914 39.371 11.457 0.00 0.00 WT5  
  
Ignored bad PDB record found on line 104717  
ATOM 1990c H1 TIP3W5141 -55.809 39.662 11.282 0.00 0.00 WT5  
  
Ignored bad PDB record found on line 104718  
ATOM 1990d H2 TIP3W5141 -55.010 38.684 12.116 0.00 0.00 WT5  
  
Ignored bad PDB record found on line 104719  
ATOM 1990e OH2 TIP3W5142 23.634 -23.765 -21.852 0.00 0.00 WT5  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 19910  
Duplicate atom serial number found: 19911  
Duplicate atom serial number found: 19912  
Duplicate atom serial number found: 19913  
Duplicate atom serial number found: 19914  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 104731  
ATOM 1991a OH2 TIP3W5146 -51.878 24.815 -43.637 0.00 0.00 WT5  
  
Ignored bad PDB record found on line 104732  
ATOM 1991b H1 TIP3W5146 -51.758 25.192 -44.508 0.00 0.00 WT5  
  
Ignored bad PDB record found on line 104733  
ATOM 1991c H2 TIP3W5146 -51.017 24.467 -43.404 0.00 0.00 WT5  
  
Ignored bad PDB record found on line 104734  
ATOM 1991d OH2 TIP3W5147 31.526 26.604 -39.347 0.00 0.00 WT5  
  
Ignored bad PDB record found on line 104735  
ATOM 1991e H1 TIP3W5147 31.488 26.676 -40.300 0.00 0.00 WT5  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 19920  
Duplicate atom serial number found: 19921  
Duplicate atom serial number found: 19922  
Duplicate atom serial number found: 19923  
Duplicate atom serial number found: 19924  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 104747  
ATOM 1992a H1 TIP3W5151 -45.368 -25.419 44.472 0.00 0.00 WT5  
  
Ignored bad PDB record found on line 104748  
ATOM 1992b H2 TIP3W5151 -45.981 -24.790 45.705 0.00 0.00 WT5  
  
Ignored bad PDB record found on line 104749  
ATOM 1992c OH2 TIP3W5152 -11.214 50.450 -40.223 0.00 0.00 WT5  
  
Ignored bad PDB record found on line 104750  
ATOM 1992d H1 TIP3W5152 -11.416 49.943 -39.437 0.00 0.00 WT5  
  
Ignored bad PDB record found on line 104751  
ATOM 1992e H2 TIP3W5152 -12.009 50.954 -40.395 0.00 0.00 WT5  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 19930  
Duplicate atom serial number found: 19931  
Duplicate atom serial number found: 19932  
Duplicate atom serial number found: 19933  
Duplicate atom serial number found: 19934  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 104763  
ATOM 1993a H2 TIP3W5156 36.564 -17.843 -45.286 0.00 0.00 WT5  
  
Ignored bad PDB record found on line 104764  
ATOM 1993b OH2 TIP3W5157 -16.408 -49.880 22.726 0.00 0.00 WT5  
  
Ignored bad PDB record found on line 104765  
ATOM 1993c H1 TIP3W5157 -16.832 -49.811 21.870 0.00 0.00 WT5  
  
Ignored bad PDB record found on line 104766  
ATOM 1993d H2 TIP3W5157 -15.593 -50.350 22.553 0.00 0.00 WT5  
  
Ignored bad PDB record found on line 104767  
ATOM 1993e OH2 TIP3W5158 -57.369 -23.030 26.856 0.00 0.00 WT5  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 19940  
Duplicate atom serial number found: 19941  
Duplicate atom serial number found: 19942  
Duplicate atom serial number found: 19943  
Duplicate atom serial number found: 19944  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 104779  
ATOM 1994a OH2 TIP3W5162 2.327 21.515 27.630 0.00 0.00 WT5  
  
Ignored bad PDB record found on line 104780  
ATOM 1994b H1 TIP3W5162 2.739 22.379 27.603 0.00 0.00 WT5  
  
Ignored bad PDB record found on line 104781  
ATOM 1994c H2 TIP3W5162 3.060 20.900 27.659 0.00 0.00 WT5  
  
Ignored bad PDB record found on line 104782  
ATOM 1994d OH2 TIP3W5163 57.521 17.623 26.743 0.00 0.00 WT5  
  
Ignored bad PDB record found on line 104783  
ATOM 1994e H1 TIP3W5163 56.706 17.257 26.400 0.00 0.00 WT5  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 19950  
Duplicate atom serial number found: 19951  
Duplicate atom serial number found: 19952  
Duplicate atom serial number found: 19953  
Duplicate atom serial number found: 19954  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 104795  
ATOM 1995a H1 TIP3W5167 -19.412 20.516 17.794 0.00 0.00 WT5  
  
Ignored bad PDB record found on line 104796  
ATOM 1995b H2 TIP3W5167 -20.281 20.745 19.012 0.00 0.00 WT5  
  
Ignored bad PDB record found on line 104797  
ATOM 1995c OH2 TIP3W5168 -42.617 32.654 -56.363 0.00 0.00 WT5  
  
Ignored bad PDB record found on line 104798  
ATOM 1995d H1 TIP3W5168 -42.025 33.118 -56.955 0.00 0.00 WT5  
  
Ignored bad PDB record found on line 104799  
ATOM 1995e H2 TIP3W5168 -42.131 31.871 -56.103 0.00 0.00 WT5  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 19960  
Duplicate atom serial number found: 19961  
Duplicate atom serial number found: 19962  
Duplicate atom serial number found: 19963  
Duplicate atom serial number found: 19964  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 104811  
ATOM 1996a H2 TIP3W5172 -46.990 8.210 44.454 0.00 0.00 WT5  
  
Ignored bad PDB record found on line 104812  
ATOM 1996b OH2 TIP3W5173 32.700 -44.408 6.337 0.00 0.00 WT5  
  
Ignored bad PDB record found on line 104813  
ATOM 1996c H1 TIP3W5173 31.820 -44.141 6.071 0.00 0.00 WT5  
  
Ignored bad PDB record found on line 104814  
ATOM 1996d H2 TIP3W5173 32.717 -45.354 6.193 0.00 0.00 WT5  
  
Ignored bad PDB record found on line 104815  
ATOM 1996e OH2 TIP3W5174 1.256 36.316 -22.226 0.00 0.00 WT5  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 19970  
Duplicate atom serial number found: 19971  
Duplicate atom serial number found: 19972  
Duplicate atom serial number found: 19973  
Duplicate atom serial number found: 19974  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 104827  
ATOM 1997a OH2 TIP3W5178 -58.667 4.861 -35.566 0.00 0.00 WT5  
  
Ignored bad PDB record found on line 104828  
ATOM 1997b H1 TIP3W5178 -58.833 5.054 -34.643 0.00 0.00 WT5  
  
Ignored bad PDB record found on line 104829  
ATOM 1997c H2 TIP3W5178 -59.105 5.566 -36.041 0.00 0.00 WT5  
  
Ignored bad PDB record found on line 104830  
ATOM 1997d OH2 TIP3W5179 3.525 27.772 -27.192 0.00 0.00 WT5  
  
Ignored bad PDB record found on line 104831  
ATOM 1997e H1 TIP3W5179 4.013 27.839 -26.371 0.00 0.00 WT5  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 19980  
Duplicate atom serial number found: 19981  
Duplicate atom serial number found: 19982  
Duplicate atom serial number found: 19983  
Duplicate atom serial number found: 19984  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 104843  
ATOM 1998a H1 TIP3W5183 33.638 -15.792 19.836 0.00 0.00 WT5  
  
Ignored bad PDB record found on line 104844  
ATOM 1998b H2 TIP3W5183 35.118 -15.721 20.151 0.00 0.00 WT5  
  
Ignored bad PDB record found on line 104845  
ATOM 1998c OH2 TIP3W5184 -51.002 -34.060 10.742 0.00 0.00 WT5  
  
Ignored bad PDB record found on line 104846  
ATOM 1998d H1 TIP3W5184 -51.640 -34.772 10.689 0.00 0.00 WT5  
  
Ignored bad PDB record found on line 104847  
ATOM 1998e H2 TIP3W5184 -50.276 -34.425 11.247 0.00 0.00 WT5  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 19990  
Duplicate atom serial number found: 19991  
Duplicate atom serial number found: 19992  
Duplicate atom serial number found: 19993  
Duplicate atom serial number found: 19994  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 104859  
ATOM 1999a H2 TIP3W5188 42.865 17.130 25.636 0.00 0.00 WT5  
  
Ignored bad PDB record found on line 104860  
ATOM 1999b OH2 TIP3W5189 13.265 10.005 15.791 0.00 0.00 WT5  
  
Ignored bad PDB record found on line 104861  
ATOM 1999c H1 TIP3W5189 12.861 9.283 16.272 0.00 0.00 WT5  
  
Ignored bad PDB record found on line 104862  
ATOM 1999d H2 TIP3W5189 13.997 10.281 16.344 0.00 0.00 WT5  
  
Ignored bad PDB record found on line 104863  
ATOM 1999e OH2 TIP3W5190 6.826 -7.814 -44.330 0.00 0.00 WT5  
  
26209 messages similar to the above omitted  
Duplicate atom serial number found: 20000  
Duplicate atom serial number found: 20001  
Duplicate atom serial number found: 20002  
Duplicate atom serial number found: 20003  
Duplicate atom serial number found: 20004  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 131083  
ATOM 2000a OH2 TIP3W7987 12.666 -2.767 -16.060 0.00 0.00 WT6  
  
Ignored bad PDB record found on line 131084  
ATOM 2000b H1 TIP3W7987 13.147 -1.949 -15.936 0.00 0.00 WT6  
  
Ignored bad PDB record found on line 131085  
ATOM 2000c H2 TIP3W7987 11.909 -2.523 -16.593 0.00 0.00 WT6  
  
Ignored bad PDB record found on line 131086  
ATOM 2000d OH2 TIP3W7988 60.969 27.993 52.425 0.00 0.00 WT6  
  
Ignored bad PDB record found on line 131087  
ATOM 2000e H1 TIP3W7988 60.410 27.400 51.923 0.00 0.00 WT6  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 20010  
Duplicate atom serial number found: 20011  
Duplicate atom serial number found: 20012  
Duplicate atom serial number found: 20013  
Duplicate atom serial number found: 20014  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 131099  
ATOM 2001a H1 TIP3W7992 0.557 32.055 -8.249 0.00 0.00 WT6  
  
Ignored bad PDB record found on line 131100  
ATOM 2001b H2 TIP3W7992 0.471 32.328 -9.735 0.00 0.00 WT6  
  
Ignored bad PDB record found on line 131101  
ATOM 2001c OH2 TIP3W7994 -38.677 -11.963 22.348 0.00 0.00 WT6  
  
Ignored bad PDB record found on line 131102  
ATOM 2001d H1 TIP3W7994 -37.980 -11.316 22.456 0.00 0.00 WT6  
  
Ignored bad PDB record found on line 131103  
ATOM 2001e H2 TIP3W7994 -38.496 -12.372 21.502 0.00 0.00 WT6  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 20020  
Duplicate atom serial number found: 20021  
Duplicate atom serial number found: 20022  
Duplicate atom serial number found: 20023  
Duplicate atom serial number found: 20024  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 131115  
ATOM 2002a H2 TIP3W8007 -29.524 36.676 3.614 0.00 0.00 WT6  
  
Ignored bad PDB record found on line 131116  
ATOM 2002b OH2 TIP3W8010 -36.111 -41.031 -48.994 0.00 0.00 WT6  
  
Ignored bad PDB record found on line 131117  
ATOM 2002c H1 TIP3W8010 -36.607 -41.744 -49.397 0.00 0.00 WT6  
  
Ignored bad PDB record found on line 131118  
ATOM 2002d H2 TIP3W8010 -35.211 -41.170 -49.287 0.00 0.00 WT6  
  
Ignored bad PDB record found on line 131119  
ATOM 2002e OH2 TIP3W8011 55.587 -44.534 -26.036 0.00 0.00 WT6  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 20030  
Duplicate atom serial number found: 20031  
Duplicate atom serial number found: 20032  
Duplicate atom serial number found: 20033  
Duplicate atom serial number found: 20034  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 131131  
ATOM 2003a OH2 TIP3W8020 -39.691 -7.115 34.858 0.00 0.00 WT6  
  
Ignored bad PDB record found on line 131132  
ATOM 2003b H1 TIP3W8020 -40.280 -6.375 34.711 0.00 0.00 WT6  
  
Ignored bad PDB record found on line 131133  
ATOM 2003c H2 TIP3W8020 -39.547 -7.483 33.986 0.00 0.00 WT6  
  
Ignored bad PDB record found on line 131134  
ATOM 2003d OH2 TIP3W8023 44.512 3.531 -13.069 0.00 0.00 WT6  
  
Ignored bad PDB record found on line 131135  
ATOM 2003e H1 TIP3W8023 44.688 4.460 -13.222 0.00 0.00 WT6  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 20040  
Duplicate atom serial number found: 20041  
Duplicate atom serial number found: 20042  
Duplicate atom serial number found: 20043  
Duplicate atom serial number found: 20044  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 131147  
ATOM 2004a H1 TIP3W8029 58.076 19.688 42.015 0.00 0.00 WT6  
  
Ignored bad PDB record found on line 131148  
ATOM 2004b H2 TIP3W8029 57.032 18.700 41.538 0.00 0.00 WT6  
  
Ignored bad PDB record found on line 131149  
ATOM 2004c OH2 TIP3W8030 -55.276 -34.329 47.418 0.00 0.00 WT6  
  
Ignored bad PDB record found on line 131150  
ATOM 2004d H1 TIP3W8030 -55.547 -35.114 46.942 0.00 0.00 WT6  
  
Ignored bad PDB record found on line 131151  
ATOM 2004e H2 TIP3W8030 -56.096 -33.912 47.680 0.00 0.00 WT6  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 20050  
Duplicate atom serial number found: 20051  
Duplicate atom serial number found: 20052  
Duplicate atom serial number found: 20053  
Duplicate atom serial number found: 20054  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 131163  
ATOM 2005a H2 TIP3W8038 40.064 12.573 51.397 0.00 0.00 WT6  
  
Ignored bad PDB record found on line 131164  
ATOM 2005b OH2 TIP3W8039 42.759 -29.081 -54.028 0.00 0.00 WT6  
  
Ignored bad PDB record found on line 131165  
ATOM 2005c H1 TIP3W8039 43.433 -29.192 -53.357 0.00 0.00 WT6  
  
Ignored bad PDB record found on line 131166  
ATOM 2005d H2 TIP3W8039 43.137 -29.474 -54.815 0.00 0.00 WT6  
  
Ignored bad PDB record found on line 131167  
ATOM 2005e OH2 TIP3W8040 17.193 10.302 -22.741 0.00 0.00 WT6  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 20060  
Duplicate atom serial number found: 20061  
Duplicate atom serial number found: 20062  
Duplicate atom serial number found: 20063  
Duplicate atom serial number found: 20064  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 131179  
ATOM 2006a OH2 TIP3W8050 29.429 10.679 50.154 0.00 0.00 WT6  
  
Ignored bad PDB record found on line 131180  
ATOM 2006b H1 TIP3W8050 30.163 10.934 49.596 0.00 0.00 WT6  
  
Ignored bad PDB record found on line 131181  
ATOM 2006c H2 TIP3W8050 28.968 11.499 50.335 0.00 0.00 WT6  
  
Ignored bad PDB record found on line 131182  
ATOM 2006d OH2 TIP3W8051 -44.425 -53.043 6.489 0.00 0.00 WT6  
  
Ignored bad PDB record found on line 131183  
ATOM 2006e H1 TIP3W8051 -44.332 -53.648 5.753 0.00 0.00 WT6  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 20070  
Duplicate atom serial number found: 20071  
Duplicate atom serial number found: 20072  
Duplicate atom serial number found: 20073  
Duplicate atom serial number found: 20074  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 131195  
ATOM 2007a H1 TIP3W8056 28.347 25.069 41.621 0.00 0.00 WT6  
  
Ignored bad PDB record found on line 131196  
ATOM 2007b H2 TIP3W8056 26.913 24.599 41.733 0.00 0.00 WT6  
  
Ignored bad PDB record found on line 131197  
ATOM 2007c OH2 TIP3W8058 3.979 37.710 59.360 0.00 0.00 WT6  
  
Ignored bad PDB record found on line 131198  
ATOM 2007d H1 TIP3W8058 3.578 38.495 58.986 0.00 0.00 WT6  
  
Ignored bad PDB record found on line 131199  
ATOM 2007e H2 TIP3W8058 4.643 38.043 59.963 0.00 0.00 WT6  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 20080  
Duplicate atom serial number found: 20081  
Duplicate atom serial number found: 20082  
Duplicate atom serial number found: 20083  
Duplicate atom serial number found: 20084  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 131211  
ATOM 2008a H2 TIP3W8063 21.822 21.459 10.361 0.00 0.00 WT6  
  
Ignored bad PDB record found on line 131212  
ATOM 2008b OH2 TIP3W8064 60.869 -35.070 23.998 0.00 0.00 WT6  
  
Ignored bad PDB record found on line 131213  
ATOM 2008c H1 TIP3W8064 61.499 -34.364 23.855 0.00 0.00 WT6  
  
Ignored bad PDB record found on line 131214  
ATOM 2008d H2 TIP3W8064 60.797 -35.504 23.147 0.00 0.00 WT6  
  
Ignored bad PDB record found on line 131215  
ATOM 2008e OH2 TIP3W8067 -54.713 -49.494 -9.400 0.00 0.00 WT6  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 20090  
Duplicate atom serial number found: 20091  
Duplicate atom serial number found: 20092  
Duplicate atom serial number found: 20093  
Duplicate atom serial number found: 20094  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 131227  
ATOM 2009a OH2 TIP3W8073 -51.610 -25.447 48.865 0.00 0.00 WT6  
  
Ignored bad PDB record found on line 131228  
ATOM 2009b H1 TIP3W8073 -52.452 -25.722 48.503 0.00 0.00 WT6  
  
Ignored bad PDB record found on line 131229  
ATOM 2009c H2 TIP3W8073 -51.498 -24.548 48.556 0.00 0.00 WT6  
  
Ignored bad PDB record found on line 131230  
ATOM 2009d OH2 TIP3W8079 -22.624 -56.290 20.415 0.00 0.00 WT6  
  
Ignored bad PDB record found on line 131231  
ATOM 2009e H1 TIP3W8079 -22.176 -56.875 19.804 0.00 0.00 WT6  
  
97 messages similar to the above omitted  
Duplicate atom serial number found: 20100  
Duplicate atom serial number found: 20101  
Duplicate atom serial number found: 20102  
Duplicate atom serial number found: 20103  
Duplicate atom serial number found: 20104  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 131339  
ATOM 2010a H1 TIP3W8137 -20.429 3.573 43.858 0.00 0.00 WT6  
  
Ignored bad PDB record found on line 131340  
ATOM 2010b H2 TIP3W8137 -21.430 2.444 43.983 0.00 0.00 WT6  
  
Ignored bad PDB record found on line 131341  
ATOM 2010c OH2 TIP3W8138 -5.561 -57.030 54.786 0.00 0.00 WT6  
  
Ignored bad PDB record found on line 131342  
ATOM 2010d H1 TIP3W8138 -5.754 -57.617 55.517 0.00 0.00 WT6  
  
Ignored bad PDB record found on line 131343  
ATOM 2010e H2 TIP3W8138 -4.880 -57.482 54.288 0.00 0.00 WT6  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 20110  
Duplicate atom serial number found: 20111  
Duplicate atom serial number found: 20112  
Duplicate atom serial number found: 20113  
Duplicate atom serial number found: 20114  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 131355  
ATOM 2011a H2 TIP3W8142 -21.333 -31.467 32.280 0.00 0.00 WT6  
  
Ignored bad PDB record found on line 131356  
ATOM 2011b OH2 TIP3W8143 -18.768 9.853 -56.462 0.00 0.00 WT6  
  
Ignored bad PDB record found on line 131357  
ATOM 2011c H1 TIP3W8143 -18.985 9.128 -55.877 0.00 0.00 WT6  
  
Ignored bad PDB record found on line 131358  
ATOM 2011d H2 TIP3W8143 -19.519 9.920 -57.051 0.00 0.00 WT6  
  
Ignored bad PDB record found on line 131359  
ATOM 2011e OH2 TIP3W8144 -4.040 -18.077 17.248 0.00 0.00 WT6  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 20120  
Duplicate atom serial number found: 20121  
Duplicate atom serial number found: 20122  
Duplicate atom serial number found: 20123  
Duplicate atom serial number found: 20124  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 131371  
ATOM 2012a OH2 TIP3W8155 -42.713 -10.075 22.437 0.00 0.00 WT6  
  
Ignored bad PDB record found on line 131372  
ATOM 2012b H1 TIP3W8155 -43.127 -10.895 22.707 0.00 0.00 WT6  
  
Ignored bad PDB record found on line 131373  
ATOM 2012c H2 TIP3W8155 -42.227 -9.786 23.209 0.00 0.00 WT6  
  
Ignored bad PDB record found on line 131374  
ATOM 2012d OH2 TIP3W8156 60.781 -6.714 -61.217 0.00 0.00 WT6  
  
Ignored bad PDB record found on line 131375  
ATOM 2012e H1 TIP3W8156 59.948 -7.082 -60.921 0.00 0.00 WT6  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 20130  
Duplicate atom serial number found: 20131  
Duplicate atom serial number found: 20132  
Duplicate atom serial number found: 20133  
Duplicate atom serial number found: 20134  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 131387  
ATOM 2013a H1 TIP3W8174 43.923 20.301 58.831 0.00 0.00 WT6  
  
Ignored bad PDB record found on line 131388  
ATOM 2013b H2 TIP3W8174 44.583 21.635 58.551 0.00 0.00 WT6  
  
Ignored bad PDB record found on line 131389  
ATOM 2013c OH2 TIP3W8175 -32.193 10.534 -12.388 0.00 0.00 WT6  
  
Ignored bad PDB record found on line 131390  
ATOM 2013d H1 TIP3W8175 -31.596 11.246 -12.157 0.00 0.00 WT6  
  
Ignored bad PDB record found on line 131391  
ATOM 2013e H2 TIP3W8175 -32.151 9.934 -11.643 0.00 0.00 WT6  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 20140  
Duplicate atom serial number found: 20141  
Duplicate atom serial number found: 20142  
Duplicate atom serial number found: 20143  
Duplicate atom serial number found: 20144  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 131403  
ATOM 2014a H2 TIP3W8183 22.494 36.856 -5.312 0.00 0.00 WT6  
  
Ignored bad PDB record found on line 131404  
ATOM 2014b OH2 TIP3W8185 57.062 30.682 -1.087 0.00 0.00 WT6  
  
Ignored bad PDB record found on line 131405  
ATOM 2014c H1 TIP3W8185 57.718 31.337 -0.851 0.00 0.00 WT6  
  
Ignored bad PDB record found on line 131406  
ATOM 2014d H2 TIP3W8185 57.173 29.987 -0.438 0.00 0.00 WT6  
  
Ignored bad PDB record found on line 131407  
ATOM 2014e OH2 TIP3W8189 40.712 -4.647 44.122 0.00 0.00 WT6  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 20150  
Duplicate atom serial number found: 20151  
Duplicate atom serial number found: 20152  
Duplicate atom serial number found: 20153  
Duplicate atom serial number found: 20154  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 131419  
ATOM 2015a OH2 TIP3W8197 48.072 2.170 8.753 0.00 0.00 WT6  
  
Ignored bad PDB record found on line 131420  
ATOM 2015b H1 TIP3W8197 48.505 2.825 9.301 0.00 0.00 WT6  
  
Ignored bad PDB record found on line 131421  
ATOM 2015c H2 TIP3W8197 47.453 2.672 8.223 0.00 0.00 WT6  
  
Ignored bad PDB record found on line 131422  
ATOM 2015d OH2 TIP3W8198 50.687 -5.396 16.936 0.00 0.00 WT6  
  
Ignored bad PDB record found on line 131423  
ATOM 2015e H1 TIP3W8198 49.836 -5.583 17.332 0.00 0.00 WT6  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 20160  
Duplicate atom serial number found: 20161  
Duplicate atom serial number found: 20162  
Duplicate atom serial number found: 20163  
Duplicate atom serial number found: 20164  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 131435  
ATOM 2016a H1 TIP3W8203 29.009 -3.411 -54.925 0.00 0.00 WT6  
  
Ignored bad PDB record found on line 131436  
ATOM 2016b H2 TIP3W8203 27.816 -2.814 -54.208 0.00 0.00 WT6  
  
Ignored bad PDB record found on line 131437  
ATOM 2016c OH2 TIP3W8204 -25.912 23.375 32.757 0.00 0.00 WT6  
  
Ignored bad PDB record found on line 131438  
ATOM 2016d H1 TIP3W8204 -26.042 24.296 32.983 0.00 0.00 WT6  
  
Ignored bad PDB record found on line 131439  
ATOM 2016e H2 TIP3W8204 -26.748 22.956 32.964 0.00 0.00 WT6  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 20170  
Duplicate atom serial number found: 20171  
Duplicate atom serial number found: 20172  
Duplicate atom serial number found: 20173  
Duplicate atom serial number found: 20174  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 131451  
ATOM 2017a H2 TIP3W8210 -60.809 -20.231 12.720 0.00 0.00 WT6  
  
Ignored bad PDB record found on line 131452  
ATOM 2017b OH2 TIP3W8211 -41.869 20.307 11.163 0.00 0.00 WT6  
  
Ignored bad PDB record found on line 131453  
ATOM 2017c H1 TIP3W8211 -42.141 19.797 11.926 0.00 0.00 WT6  
  
Ignored bad PDB record found on line 131454  
ATOM 2017d H2 TIP3W8211 -42.537 20.987 11.079 0.00 0.00 WT6  
  
Ignored bad PDB record found on line 131455  
ATOM 2017e OH2 TIP3W8212 -17.265 -45.803 -27.636 0.00 0.00 WT6  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 20180  
Duplicate atom serial number found: 20181  
Duplicate atom serial number found: 20182  
Duplicate atom serial number found: 20183  
Duplicate atom serial number found: 20184  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 131467  
ATOM 2018a OH2 TIP3W8218 12.981 -19.216 44.500 0.00 0.00 WT6  
  
Ignored bad PDB record found on line 131468  
ATOM 2018b H1 TIP3W8218 12.870 -18.269 44.587 0.00 0.00 WT6  
  
Ignored bad PDB record found on line 131469  
ATOM 2018c H2 TIP3W8218 12.167 -19.585 44.843 0.00 0.00 WT6  
  
Ignored bad PDB record found on line 131470  
ATOM 2018d OH2 TIP3W8219 -39.181 -34.767 19.886 0.00 0.00 WT6  
  
Ignored bad PDB record found on line 131471  
ATOM 2018e H1 TIP3W8219 -38.535 -34.747 19.179 0.00 0.00 WT6  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 20190  
Duplicate atom serial number found: 20191  
Duplicate atom serial number found: 20192  
Duplicate atom serial number found: 20193  
Duplicate atom serial number found: 20194  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 131483  
ATOM 2019a H1 TIP3W8223 6.307 32.170 -10.673 0.00 0.00 WT6  
  
Ignored bad PDB record found on line 131484  
ATOM 2019b H2 TIP3W8223 7.213 31.768 -9.529 0.00 0.00 WT6  
  
Ignored bad PDB record found on line 131485  
ATOM 2019c OH2 TIP3W8224 49.549 -11.501 56.528 0.00 0.00 WT6  
  
Ignored bad PDB record found on line 131486  
ATOM 2019d H1 TIP3W8224 49.150 -10.671 56.788 0.00 0.00 WT6  
  
Ignored bad PDB record found on line 131487  
ATOM 2019e H2 TIP3W8224 48.889 -12.162 56.738 0.00 0.00 WT6  
  
97 messages similar to the above omitted  
Duplicate atom serial number found: 20200  
Duplicate atom serial number found: 20201  
Duplicate atom serial number found: 20202  
Duplicate atom serial number found: 20203  
Duplicate atom serial number found: 20204  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 131595  
ATOM 2020a H2 TIP3W8303 -10.191 7.285 28.550 0.00 0.00 WT6  
  
Ignored bad PDB record found on line 131596  
ATOM 2020b OH2 TIP3W8305 -1.071 51.434 -31.832 0.00 0.00 WT6  
  
Ignored bad PDB record found on line 131597  
ATOM 2020c H1 TIP3W8305 -1.506 51.527 -30.984 0.00 0.00 WT6  
  
Ignored bad PDB record found on line 131598  
ATOM 2020d H2 TIP3W8305 -1.749 51.643 -32.474 0.00 0.00 WT6  
  
Ignored bad PDB record found on line 131599  
ATOM 2020e OH2 TIP3W8307 -44.897 10.609 -31.797 0.00 0.00 WT6  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 20210  
Duplicate atom serial number found: 20211  
Duplicate atom serial number found: 20212  
Duplicate atom serial number found: 20213  
Duplicate atom serial number found: 20214  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 131611  
ATOM 2021a OH2 TIP3W8313 27.560 13.331 -15.081 0.00 0.00 WT6  
  
Ignored bad PDB record found on line 131612  
ATOM 2021b H1 TIP3W8313 28.348 12.810 -14.923 0.00 0.00 WT6  
  
Ignored bad PDB record found on line 131613  
ATOM 2021c H2 TIP3W8313 27.023 13.196 -14.300 0.00 0.00 WT6  
  
Ignored bad PDB record found on line 131614  
ATOM 2021d OH2 TIP3W8318 24.925 12.801 -53.665 0.00 0.00 WT6  
  
Ignored bad PDB record found on line 131615  
ATOM 2021e H1 TIP3W8318 24.862 12.826 -54.620 0.00 0.00 WT6  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 20220  
Duplicate atom serial number found: 20221  
Duplicate atom serial number found: 20222  
Duplicate atom serial number found: 20223  
Duplicate atom serial number found: 20224  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 131627  
ATOM 2022a H1 TIP3W8327 34.039 24.520 -40.157 0.00 0.00 WT6  
  
Ignored bad PDB record found on line 131628  
ATOM 2022b H2 TIP3W8327 34.125 23.017 -40.310 0.00 0.00 WT6  
  
Ignored bad PDB record found on line 131629  
ATOM 2022c OH2 TIP3W8328 19.780 -18.686 42.554 0.00 0.00 WT6  
  
Ignored bad PDB record found on line 131630  
ATOM 2022d H1 TIP3W8328 20.151 -19.077 41.764 0.00 0.00 WT6  
  
Ignored bad PDB record found on line 131631  
ATOM 2022e H2 TIP3W8328 19.975 -17.752 42.475 0.00 0.00 WT6  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 20230  
Duplicate atom serial number found: 20231  
Duplicate atom serial number found: 20232  
Duplicate atom serial number found: 20233  
Duplicate atom serial number found: 20234  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 131643  
ATOM 2023a H2 TIP3W8332 -13.439 -35.518 -5.392 0.00 0.00 WT6  
  
Ignored bad PDB record found on line 131644  
ATOM 2023b OH2 TIP3W8333 -29.628 7.578 31.461 0.00 0.00 WT6  
  
Ignored bad PDB record found on line 131645  
ATOM 2023c H1 TIP3W8333 -28.787 7.767 31.045 0.00 0.00 WT6  
  
Ignored bad PDB record found on line 131646  
ATOM 2023d H2 TIP3W8333 -30.116 7.086 30.801 0.00 0.00 WT6  
  
Ignored bad PDB record found on line 131647  
ATOM 2023e OH2 TIP3W8334 -60.022 -2.208 -4.088 0.00 0.00 WT6  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 20240  
Duplicate atom serial number found: 20241  
Duplicate atom serial number found: 20242  
Duplicate atom serial number found: 20243  
Duplicate atom serial number found: 20244  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 131659  
ATOM 2024a OH2 TIP3W8340 -41.773 -34.187 38.279 0.00 0.00 WT6  
  
Ignored bad PDB record found on line 131660  
ATOM 2024b H1 TIP3W8340 -41.288 -34.400 37.482 0.00 0.00 WT6  
  
Ignored bad PDB record found on line 131661  
ATOM 2024c H2 TIP3W8340 -41.556 -33.272 38.455 0.00 0.00 WT6  
  
Ignored bad PDB record found on line 131662  
ATOM 2024d OH2 TIP3W8342 -53.401 -5.061 -25.524 0.00 0.00 WT6  
  
Ignored bad PDB record found on line 131663  
ATOM 2024e H1 TIP3W8342 -53.592 -5.903 -25.938 0.00 0.00 WT6  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 20250  
Duplicate atom serial number found: 20251  
Duplicate atom serial number found: 20252  
Duplicate atom serial number found: 20253  
Duplicate atom serial number found: 20254  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 131675  
ATOM 2025a H1 TIP3W8349 25.080 -22.312 12.823 0.00 0.00 WT6  
  
Ignored bad PDB record found on line 131676  
ATOM 2025b H2 TIP3W8349 25.015 -23.742 13.315 0.00 0.00 WT6  
  
Ignored bad PDB record found on line 131677  
ATOM 2025c OH2 TIP3W8350 53.094 27.076 2.467 0.00 0.00 WT6  
  
Ignored bad PDB record found on line 131678  
ATOM 2025d H1 TIP3W8350 53.136 26.490 3.222 0.00 0.00 WT6  
  
Ignored bad PDB record found on line 131679  
ATOM 2025e H2 TIP3W8350 53.902 27.587 2.515 0.00 0.00 WT6  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 20260  
Duplicate atom serial number found: 20261  
Duplicate atom serial number found: 20262  
Duplicate atom serial number found: 20263  
Duplicate atom serial number found: 20264  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 131691  
ATOM 2026a H2 TIP3W8362 -33.633 24.424 0.753 0.00 0.00 WT6  
  
Ignored bad PDB record found on line 131692  
ATOM 2026b OH2 TIP3W8364 41.779 -10.591 -19.812 0.00 0.00 WT6  
  
Ignored bad PDB record found on line 131693  
ATOM 2026c H1 TIP3W8364 41.696 -11.226 -19.101 0.00 0.00 WT6  
  
Ignored bad PDB record found on line 131694  
ATOM 2026d H2 TIP3W8364 41.509 -11.071 -20.595 0.00 0.00 WT6  
  
Ignored bad PDB record found on line 131695  
ATOM 2026e OH2 TIP3W8366 -20.952 7.159 14.879 0.00 0.00 WT6  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 20270  
Duplicate atom serial number found: 20271  
Duplicate atom serial number found: 20272  
Duplicate atom serial number found: 20273  
Duplicate atom serial number found: 20274  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 131707  
ATOM 2027a OH2 TIP3W8371 -22.884 -8.115 29.592 0.00 0.00 WT6  
  
Ignored bad PDB record found on line 131708  
ATOM 2027b H1 TIP3W8371 -22.406 -8.104 30.422 0.00 0.00 WT6  
  
Ignored bad PDB record found on line 131709  
ATOM 2027c H2 TIP3W8371 -22.478 -7.421 29.073 0.00 0.00 WT6  
  
Ignored bad PDB record found on line 131710  
ATOM 2027d OH2 TIP3W8372 30.995 25.577 24.451 0.00 0.00 WT6  
  
Ignored bad PDB record found on line 131711  
ATOM 2027e H1 TIP3W8372 30.269 24.953 24.458 0.00 0.00 WT6  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 20280  
Duplicate atom serial number found: 20281  
Duplicate atom serial number found: 20282  
Duplicate atom serial number found: 20283  
Duplicate atom serial number found: 20284  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 131723  
ATOM 2028a H1 TIP3W8381 -45.538 -41.823 5.418 0.00 0.00 WT6  
  
Ignored bad PDB record found on line 131724  
ATOM 2028b H2 TIP3W8381 -46.167 -41.979 4.050 0.00 0.00 WT6  
  
Ignored bad PDB record found on line 131725  
ATOM 2028c OH2 TIP3W8382 13.509 18.541 34.908 0.00 0.00 WT6  
  
Ignored bad PDB record found on line 131726  
ATOM 2028d H1 TIP3W8382 13.742 19.450 35.099 0.00 0.00 WT6  
  
Ignored bad PDB record found on line 131727  
ATOM 2028e H2 TIP3W8382 12.554 18.519 34.973 0.00 0.00 WT6  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 20290  
Duplicate atom serial number found: 20291  
Duplicate atom serial number found: 20292  
Duplicate atom serial number found: 20293  
Duplicate atom serial number found: 20294  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 131739  
ATOM 2029a H2 TIP3W8388 38.034 17.934 32.682 0.00 0.00 WT6  
  
Ignored bad PDB record found on line 131740  
ATOM 2029b OH2 TIP3W8389 -46.743 28.580 -23.518 0.00 0.00 WT6  
  
Ignored bad PDB record found on line 131741  
ATOM 2029c H1 TIP3W8389 -47.651 28.284 -23.459 0.00 0.00 WT6  
  
Ignored bad PDB record found on line 131742  
ATOM 2029d H2 TIP3W8389 -46.497 28.781 -22.615 0.00 0.00 WT6  
  
Ignored bad PDB record found on line 131743  
ATOM 2029e OH2 TIP3W8391 -40.983 -42.858 60.074 0.00 0.00 WT6  
  
97 messages similar to the above omitted  
Duplicate atom serial number found: 20300  
Duplicate atom serial number found: 20301  
Duplicate atom serial number found: 20302  
Duplicate atom serial number found: 20303  
Duplicate atom serial number found: 20304  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 131851  
ATOM 2030a OH2 TIP3W8468 -0.572 -35.146 18.854 0.00 0.00 WT6  
  
Ignored bad PDB record found on line 131852  
ATOM 2030b H1 TIP3W8468 -0.535 -34.192 18.911 0.00 0.00 WT6  
  
Ignored bad PDB record found on line 131853  
ATOM 2030c H2 TIP3W8468 -1.000 -35.419 19.666 0.00 0.00 WT6  
  
Ignored bad PDB record found on line 131854  
ATOM 2030d OH2 TIP3W8470 -48.462 17.885 -36.443 0.00 0.00 WT6  
  
Ignored bad PDB record found on line 131855  
ATOM 2030e H1 TIP3W8470 -49.082 18.022 -37.159 0.00 0.00 WT6  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 20310  
Duplicate atom serial number found: 20311  
Duplicate atom serial number found: 20312  
Duplicate atom serial number found: 20313  
Duplicate atom serial number found: 20314  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 131867  
ATOM 2031a H1 TIP3W8491 49.833 12.872 42.183 0.00 0.00 WT6  
  
Ignored bad PDB record found on line 131868  
ATOM 2031b H2 TIP3W8491 48.609 12.012 42.416 0.00 0.00 WT6  
  
Ignored bad PDB record found on line 131869  
ATOM 2031c OH2 TIP3W8492 -2.213 -5.892 -27.818 0.00 0.00 WT6  
  
Ignored bad PDB record found on line 131870  
ATOM 2031d H1 TIP3W8492 -2.895 -6.550 -27.950 0.00 0.00 WT6  
  
Ignored bad PDB record found on line 131871  
ATOM 2031e H2 TIP3W8492 -2.552 -5.105 -28.245 0.00 0.00 WT6  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 20320  
Duplicate atom serial number found: 20321  
Duplicate atom serial number found: 20322  
Duplicate atom serial number found: 20323  
Duplicate atom serial number found: 20324  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 131883  
ATOM 2032a H2 TIP3W8507 26.684 11.222 47.998 0.00 0.00 WT6  
  
Ignored bad PDB record found on line 131884  
ATOM 2032b OH2 TIP3W8509 14.081 39.133 10.246 0.00 0.00 WT6  
  
Ignored bad PDB record found on line 131885  
ATOM 2032c H1 TIP3W8509 13.288 38.748 10.618 0.00 0.00 WT6  
  
Ignored bad PDB record found on line 131886  
ATOM 2032d H2 TIP3W8509 13.767 39.865 9.715 0.00 0.00 WT6  
  
Ignored bad PDB record found on line 131887  
ATOM 2032e OH2 TIP3W8511 6.858 -56.458 -48.445 0.00 0.00 WT6  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 20330  
Duplicate atom serial number found: 20331  
Duplicate atom serial number found: 20332  
Duplicate atom serial number found: 20333  
Duplicate atom serial number found: 20334  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 131899  
ATOM 2033a OH2 TIP3W8523 -4.246 -33.902 14.243 0.00 0.00 WT6  
  
Ignored bad PDB record found on line 131900  
ATOM 2033b H1 TIP3W8523 -4.731 -33.188 13.829 0.00 0.00 WT6  
  
Ignored bad PDB record found on line 131901  
ATOM 2033c H2 TIP3W8523 -4.394 -34.655 13.671 0.00 0.00 WT6  
  
Ignored bad PDB record found on line 131902  
ATOM 2033d OH2 TIP3W8525 -41.531 -14.732 -35.114 0.00 0.00 WT6  
  
Ignored bad PDB record found on line 131903  
ATOM 2033e H1 TIP3W8525 -40.650 -15.090 -35.006 0.00 0.00 WT6  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 20340  
Duplicate atom serial number found: 20341  
Duplicate atom serial number found: 20342  
Duplicate atom serial number found: 20343  
Duplicate atom serial number found: 20344  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 131915  
ATOM 2034a H1 TIP3W8534 36.653 36.444 -54.415 0.00 0.00 WT6  
  
Ignored bad PDB record found on line 131916  
ATOM 2034b H2 TIP3W8534 38.119 36.137 -54.633 0.00 0.00 WT6  
  
Ignored bad PDB record found on line 131917  
ATOM 2034c OH2 TIP3W8535 -38.983 -46.381 0.144 0.00 0.00 WT6  
  
Ignored bad PDB record found on line 131918  
ATOM 2034d H1 TIP3W8535 -39.418 -46.486 -0.702 0.00 0.00 WT6  
  
Ignored bad PDB record found on line 131919  
ATOM 2034e H2 TIP3W8535 -38.091 -46.113 -0.076 0.00 0.00 WT6  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 20350  
Duplicate atom serial number found: 20351  
Duplicate atom serial number found: 20352  
Duplicate atom serial number found: 20353  
Duplicate atom serial number found: 20354  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 131931  
ATOM 2035a H2 TIP3W8539 32.694 -31.287 -45.711 0.00 0.00 WT6  
  
Ignored bad PDB record found on line 131932  
ATOM 2035b OH2 TIP3W8543 -18.083 55.811 45.229 0.00 0.00 WT6  
  
Ignored bad PDB record found on line 131933  
ATOM 2035c H1 TIP3W8543 -17.952 56.757 45.289 0.00 0.00 WT6  
  
Ignored bad PDB record found on line 131934  
ATOM 2035d H2 TIP3W8543 -18.593 55.588 46.008 0.00 0.00 WT6  
  
Ignored bad PDB record found on line 131935  
ATOM 2035e OH2 TIP3W8545 54.223 -30.604 16.191 0.00 0.00 WT6  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 20360  
Duplicate atom serial number found: 20361  
Duplicate atom serial number found: 20362  
Duplicate atom serial number found: 20363  
Duplicate atom serial number found: 20364  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 131947  
ATOM 2036a OH2 TIP3W8549 -11.146 45.681 25.124 0.00 0.00 WT6  
  
Ignored bad PDB record found on line 131948  
ATOM 2036b H1 TIP3W8549 -10.935 44.868 25.582 0.00 0.00 WT6  
  
Ignored bad PDB record found on line 131949  
ATOM 2036c H2 TIP3W8549 -12.067 45.840 25.328 0.00 0.00 WT6  
  
Ignored bad PDB record found on line 131950  
ATOM 2036d OH2 TIP3W8550 -13.487 -34.782 -26.974 0.00 0.00 WT6  
  
Ignored bad PDB record found on line 131951  
ATOM 2036e H1 TIP3W8550 -12.723 -35.331 -26.797 0.00 0.00 WT6  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 20370  
Duplicate atom serial number found: 20371  
Duplicate atom serial number found: 20372  
Duplicate atom serial number found: 20373  
Duplicate atom serial number found: 20374  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 131963  
ATOM 2037a H1 TIP3W8557 52.760 -38.975 -49.967 0.00 0.00 WT6  
  
Ignored bad PDB record found on line 131964  
ATOM 2037b H2 TIP3W8557 53.130 -37.514 -50.114 0.00 0.00 WT6  
  
Ignored bad PDB record found on line 131965  
ATOM 2037c OH2 TIP3W8558 20.687 -8.492 34.617 0.00 0.00 WT6  
  
Ignored bad PDB record found on line 131966  
ATOM 2037d H1 TIP3W8558 21.487 -8.725 35.087 0.00 0.00 WT6  
  
Ignored bad PDB record found on line 131967  
ATOM 2037e H2 TIP3W8558 20.201 -9.314 34.548 0.00 0.00 WT6  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 20380  
Duplicate atom serial number found: 20381  
Duplicate atom serial number found: 20382  
Duplicate atom serial number found: 20383  
Duplicate atom serial number found: 20384  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 131979  
ATOM 2038a H2 TIP3W8564 58.839 -11.831 37.296 0.00 0.00 WT6  
  
Ignored bad PDB record found on line 131980  
ATOM 2038b OH2 TIP3W8566 -10.383 -29.862 44.596 0.00 0.00 WT6  
  
Ignored bad PDB record found on line 131981  
ATOM 2038c H1 TIP3W8566 -10.045 -29.135 45.118 0.00 0.00 WT6  
  
Ignored bad PDB record found on line 131982  
ATOM 2038d H2 TIP3W8566 -9.678 -30.063 43.980 0.00 0.00 WT6  
  
Ignored bad PDB record found on line 131983  
ATOM 2038e OH2 TIP3W8568 20.534 -33.803 -13.379 0.00 0.00 WT6  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 20390  
Duplicate atom serial number found: 20391  
Duplicate atom serial number found: 20392  
Duplicate atom serial number found: 20393  
Duplicate atom serial number found: 20394  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 131995  
ATOM 2039a OH2 TIP3W8576 23.976 58.590 -32.912 0.00 0.00 WT6  
  
Ignored bad PDB record found on line 131996  
ATOM 2039b H1 TIP3W8576 24.456 59.357 -33.225 0.00 0.00 WT6  
  
Ignored bad PDB record found on line 131997  
ATOM 2039c H2 TIP3W8576 23.937 58.006 -33.670 0.00 0.00 WT6  
  
Ignored bad PDB record found on line 131998  
ATOM 2039d OH2 TIP3W8577 30.524 1.988 -1.503 0.00 0.00 WT6  
  
Ignored bad PDB record found on line 131999  
ATOM 2039e H1 TIP3W8577 29.710 2.439 -1.727 0.00 0.00 WT6  
  
97 messages similar to the above omitted  
Duplicate atom serial number found: 20400  
Duplicate atom serial number found: 20401  
Duplicate atom serial number found: 20402  
Duplicate atom serial number found: 20403  
Duplicate atom serial number found: 20404  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 132107  
ATOM 2040a H1 TIP3W8658 13.470 -17.783 -30.731 0.00 0.00 WT6  
  
Ignored bad PDB record found on line 132108  
ATOM 2040b H2 TIP3W8658 14.459 -18.569 -31.566 0.00 0.00 WT6  
  
Ignored bad PDB record found on line 132109  
ATOM 2040c OH2 TIP3W8660 45.877 -28.092 14.233 0.00 0.00 WT6  
  
Ignored bad PDB record found on line 132110  
ATOM 2040d H1 TIP3W8660 45.788 -28.290 15.165 0.00 0.00 WT6  
  
Ignored bad PDB record found on line 132111  
ATOM 2040e H2 TIP3W8660 45.345 -28.756 13.795 0.00 0.00 WT6  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 20410  
Duplicate atom serial number found: 20411  
Duplicate atom serial number found: 20412  
Duplicate atom serial number found: 20413  
Duplicate atom serial number found: 20414  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 132123  
ATOM 2041a H2 TIP3W8665 -30.069 -47.068 2.718 0.00 0.00 WT6  
  
Ignored bad PDB record found on line 132124  
ATOM 2041b OH2 TIP3W8666 -59.702 -40.020 -0.171 0.00 0.00 WT6  
  
Ignored bad PDB record found on line 132125  
ATOM 2041c H1 TIP3W8666 -58.853 -40.365 0.105 0.00 0.00 WT6  
  
Ignored bad PDB record found on line 132126  
ATOM 2041d H2 TIP3W8666 -60.303 -40.759 -0.076 0.00 0.00 WT6  
  
Ignored bad PDB record found on line 132127  
ATOM 2041e OH2 TIP3W8668 46.647 -5.680 13.894 0.00 0.00 WT6  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 20420  
Duplicate atom serial number found: 20421  
Duplicate atom serial number found: 20422  
Duplicate atom serial number found: 20423  
Duplicate atom serial number found: 20424  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 132139  
ATOM 2042a OH2 TIP3W8677 8.935 23.115 -46.291 0.00 0.00 WT6  
  
Ignored bad PDB record found on line 132140  
ATOM 2042b H1 TIP3W8677 9.171 22.392 -46.872 0.00 0.00 WT6  
  
Ignored bad PDB record found on line 132141  
ATOM 2042c H2 TIP3W8677 9.374 22.913 -45.465 0.00 0.00 WT6  
  
Ignored bad PDB record found on line 132142  
ATOM 2042d OH2 TIP3W8678 -31.420 57.383 -27.772 0.00 0.00 WT6  
  
Ignored bad PDB record found on line 132143  
ATOM 2042e H1 TIP3W8678 -31.956 57.309 -26.982 0.00 0.00 WT6  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 20430  
Duplicate atom serial number found: 20431  
Duplicate atom serial number found: 20432  
Duplicate atom serial number found: 20433  
Duplicate atom serial number found: 20434  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 132155  
ATOM 2043a H1 TIP3W8685 -53.050 -12.576 58.786 0.00 0.00 WT6  
  
Ignored bad PDB record found on line 132156  
ATOM 2043b H2 TIP3W8685 -52.422 -12.007 57.531 0.00 0.00 WT6  
  
Ignored bad PDB record found on line 132157  
ATOM 2043c OH2 TIP3W8687 60.004 23.519 55.171 0.00 0.00 WT6  
  
Ignored bad PDB record found on line 132158  
ATOM 2043d H1 TIP3W8687 60.279 24.390 55.457 0.00 0.00 WT6  
  
Ignored bad PDB record found on line 132159  
ATOM 2043e H2 TIP3W8687 60.647 23.271 54.506 0.00 0.00 WT6  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 20440  
Duplicate atom serial number found: 20441  
Duplicate atom serial number found: 20442  
Duplicate atom serial number found: 20443  
Duplicate atom serial number found: 20444  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 132171  
ATOM 2044a H2 TIP3W8695 5.771 -39.971 -41.032 0.00 0.00 WT6  
  
Ignored bad PDB record found on line 132172  
ATOM 2044b OH2 TIP3W8699 55.083 5.616 -21.245 0.00 0.00 WT6  
  
Ignored bad PDB record found on line 132173  
ATOM 2044c H1 TIP3W8699 55.084 6.490 -21.637 0.00 0.00 WT6  
  
Ignored bad PDB record found on line 132174  
ATOM 2044d H2 TIP3W8699 54.810 5.035 -21.954 0.00 0.00 WT6  
  
Ignored bad PDB record found on line 132175  
ATOM 2044e OH2 TIP3W8700 60.072 -33.331 -43.759 0.00 0.00 WT6  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 20450  
Duplicate atom serial number found: 20451  
Duplicate atom serial number found: 20452  
Duplicate atom serial number found: 20453  
Duplicate atom serial number found: 20454  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 132187  
ATOM 2045a OH2 TIP3W8711 5.768 -43.498 32.680 0.00 0.00 WT6  
  
Ignored bad PDB record found on line 132188  
ATOM 2045b H1 TIP3W8711 6.483 -43.710 33.279 0.00 0.00 WT6  
  
Ignored bad PDB record found on line 132189  
ATOM 2045c H2 TIP3W8711 6.204 -43.191 31.885 0.00 0.00 WT6  
  
Ignored bad PDB record found on line 132190  
ATOM 2045d OH2 TIP3W8712 43.182 -18.306 -1.859 0.00 0.00 WT6  
  
Ignored bad PDB record found on line 132191  
ATOM 2045e H1 TIP3W8712 43.151 -17.548 -2.443 0.00 0.00 WT6  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 20460  
Duplicate atom serial number found: 20461  
Duplicate atom serial number found: 20462  
Duplicate atom serial number found: 20463  
Duplicate atom serial number found: 20464  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 132203  
ATOM 2046a H1 TIP3W8722 30.730 38.728 5.081 0.00 0.00 WT6  
  
Ignored bad PDB record found on line 132204  
ATOM 2046b H2 TIP3W8722 30.001 37.554 5.699 0.00 0.00 WT6  
  
Ignored bad PDB record found on line 132205  
ATOM 2046c OH2 TIP3W8723 15.336 -48.355 37.837 0.00 0.00 WT6  
  
Ignored bad PDB record found on line 132206  
ATOM 2046d H1 TIP3W8723 16.087 -48.835 37.488 0.00 0.00 WT6  
  
Ignored bad PDB record found on line 132207  
ATOM 2046e H2 TIP3W8723 15.482 -47.449 37.563 0.00 0.00 WT6  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 20470  
Duplicate atom serial number found: 20471  
Duplicate atom serial number found: 20472  
Duplicate atom serial number found: 20473  
Duplicate atom serial number found: 20474  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 132219  
ATOM 2047a H2 TIP3W8728 -60.769 -8.557 22.370 0.00 0.00 WT6  
  
Ignored bad PDB record found on line 132220  
ATOM 2047b OH2 TIP3W8731 -57.453 14.961 -24.304 0.00 0.00 WT6  
  
Ignored bad PDB record found on line 132221  
ATOM 2047c H1 TIP3W8731 -57.205 15.002 -25.227 0.00 0.00 WT6  
  
Ignored bad PDB record found on line 132222  
ATOM 2047d H2 TIP3W8731 -58.016 15.725 -24.173 0.00 0.00 WT6  
  
Ignored bad PDB record found on line 132223  
ATOM 2047e OH2 TIP3W8732 17.983 57.442 41.493 0.00 0.00 WT6  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 20480  
Duplicate atom serial number found: 20481  
Duplicate atom serial number found: 20482  
Duplicate atom serial number found: 20483  
Duplicate atom serial number found: 20484  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 132235  
ATOM 2048a OH2 TIP3W8738 42.726 20.343 -0.029 0.00 0.00 WT6  
  
Ignored bad PDB record found on line 132236  
ATOM 2048b H1 TIP3W8738 42.421 19.553 -0.476 0.00 0.00 WT6  
  
Ignored bad PDB record found on line 132237  
ATOM 2048c H2 TIP3W8738 41.928 20.840 0.152 0.00 0.00 WT6  
  
Ignored bad PDB record found on line 132238  
ATOM 2048d OH2 TIP3W8740 59.364 -14.695 21.165 0.00 0.00 WT6  
  
Ignored bad PDB record found on line 132239  
ATOM 2048e H1 TIP3W8740 58.758 -14.692 21.905 0.00 0.00 WT6  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 20490  
Duplicate atom serial number found: 20491  
Duplicate atom serial number found: 20492  
Duplicate atom serial number found: 20493  
Duplicate atom serial number found: 20494  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 132251  
ATOM 2049a H1 TIP3W8749 -24.894 -30.534 24.947 0.00 0.00 WT6  
  
Ignored bad PDB record found on line 132252  
ATOM 2049b H2 TIP3W8749 -23.478 -30.297 24.467 0.00 0.00 WT6  
  
Ignored bad PDB record found on line 132253  
ATOM 2049c OH2 TIP3W8756 27.975 0.719 -46.649 0.00 0.00 WT6  
  
Ignored bad PDB record found on line 132254  
ATOM 2049d H1 TIP3W8756 27.566 0.586 -47.505 0.00 0.00 WT6  
  
Ignored bad PDB record found on line 132255  
ATOM 2049e H2 TIP3W8756 27.417 1.364 -46.214 0.00 0.00 WT6  
  
97 messages similar to the above omitted  
Duplicate atom serial number found: 20500  
Duplicate atom serial number found: 20501  
Duplicate atom serial number found: 20502  
Duplicate atom serial number found: 20503  
Duplicate atom serial number found: 20504  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 132363  
ATOM 2050a H2 TIP3W8846 50.873 -13.644 -60.073 0.00 0.00 WT6  
  
Ignored bad PDB record found on line 132364  
ATOM 2050b OH2 TIP3W8847 26.073 -11.520 35.244 0.00 0.00 WT6  
  
Ignored bad PDB record found on line 132365  
ATOM 2050c H1 TIP3W8847 26.886 -11.399 34.754 0.00 0.00 WT6  
  
Ignored bad PDB record found on line 132366  
ATOM 2050d H2 TIP3W8847 25.426 -11.759 34.580 0.00 0.00 WT6  
  
Ignored bad PDB record found on line 132367  
ATOM 2050e OH2 TIP3W8848 -58.825 20.370 -2.759 0.00 0.00 WT6  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 20510  
Duplicate atom serial number found: 20511  
Duplicate atom serial number found: 20512  
Duplicate atom serial number found: 20513  
Duplicate atom serial number found: 20514  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 132379  
ATOM 2051a OH2 TIP3W8852 41.972 3.522 -11.765 0.00 0.00 WT6  
  
Ignored bad PDB record found on line 132380  
ATOM 2051b H1 TIP3W8852 42.892 3.351 -11.966 0.00 0.00 WT6  
  
Ignored bad PDB record found on line 132381  
ATOM 2051c H2 TIP3W8852 41.542 2.674 -11.868 0.00 0.00 WT6  
  
Ignored bad PDB record found on line 132382  
ATOM 2051d OH2 TIP3W8854 -48.746 -50.043 -56.740 0.00 0.00 WT6  
  
Ignored bad PDB record found on line 132383  
ATOM 2051e H1 TIP3W8854 -48.545 -49.129 -56.943 0.00 0.00 WT6  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 20520  
Duplicate atom serial number found: 20521  
Duplicate atom serial number found: 20522  
Duplicate atom serial number found: 20523  
Duplicate atom serial number found: 20524  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 132395  
ATOM 2052a H1 TIP3W8865 21.633 57.949 -26.301 0.00 0.00 WT6  
  
Ignored bad PDB record found on line 132396  
ATOM 2052b H2 TIP3W8865 20.528 58.976 -26.429 0.00 0.00 WT6  
  
Ignored bad PDB record found on line 132397  
ATOM 2052c OH2 TIP3W8866 24.507 -33.309 11.965 0.00 0.00 WT6  
  
Ignored bad PDB record found on line 132398  
ATOM 2052d H1 TIP3W8866 25.342 -33.777 11.992 0.00 0.00 WT6  
  
Ignored bad PDB record found on line 132399  
ATOM 2052e H2 TIP3W8866 24.025 -33.719 11.248 0.00 0.00 WT6  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 20530  
Duplicate atom serial number found: 20531  
Duplicate atom serial number found: 20532  
Duplicate atom serial number found: 20533  
Duplicate atom serial number found: 20534  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 132411  
ATOM 2053a H2 TIP3W8872 28.551 -36.296 -56.437 0.00 0.00 WT6  
  
Ignored bad PDB record found on line 132412  
ATOM 2053b OH2 TIP3W8874 10.790 -45.352 5.588 0.00 0.00 WT6  
  
Ignored bad PDB record found on line 132413  
ATOM 2053c H1 TIP3W8874 9.849 -45.183 5.554 0.00 0.00 WT6  
  
Ignored bad PDB record found on line 132414  
ATOM 2053d H2 TIP3W8874 10.914 -45.859 6.391 0.00 0.00 WT6  
  
Ignored bad PDB record found on line 132415  
ATOM 2053e OH2 TIP3W8875 -36.446 -51.531 -59.059 0.00 0.00 WT6  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 20540  
Duplicate atom serial number found: 20541  
Duplicate atom serial number found: 20542  
Duplicate atom serial number found: 20543  
Duplicate atom serial number found: 20544  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 132427  
ATOM 2054a OH2 TIP3W8879 13.118 52.359 -36.140 0.00 0.00 WT6  
  
Ignored bad PDB record found on line 132428  
ATOM 2054b H1 TIP3W8879 13.272 51.577 -35.610 0.00 0.00 WT6  
  
Ignored bad PDB record found on line 132429  
ATOM 2054c H2 TIP3W8879 12.196 52.301 -36.390 0.00 0.00 WT6  
  
Ignored bad PDB record found on line 132430  
ATOM 2054d OH2 TIP3W8883 24.091 10.320 -6.941 0.00 0.00 WT6  
  
Ignored bad PDB record found on line 132431  
ATOM 2054e H1 TIP3W8883 23.190 10.042 -6.777 0.00 0.00 WT6  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 20550  
Duplicate atom serial number found: 20551  
Duplicate atom serial number found: 20552  
Duplicate atom serial number found: 20553  
Duplicate atom serial number found: 20554  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 132443  
ATOM 2055a H1 TIP3W8889 60.222 29.623 -7.414 0.00 0.00 WT6  
  
Ignored bad PDB record found on line 132444  
ATOM 2055b H2 TIP3W8889 59.306 28.581 -8.021 0.00 0.00 WT6  
  
Ignored bad PDB record found on line 132445  
ATOM 2055c OH2 TIP3W8890 9.057 53.748 -2.275 0.00 0.00 WT6  
  
Ignored bad PDB record found on line 132446  
ATOM 2055d H1 TIP3W8890 8.214 53.350 -2.493 0.00 0.00 WT6  
  
Ignored bad PDB record found on line 132447  
ATOM 2055e H2 TIP3W8890 8.829 54.570 -1.842 0.00 0.00 WT6  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 20560  
Duplicate atom serial number found: 20561  
Duplicate atom serial number found: 20562  
Duplicate atom serial number found: 20563  
Duplicate atom serial number found: 20564  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 132459  
ATOM 2056a H2 TIP3W8895 18.691 -58.822 -5.981 0.00 0.00 WT6  
  
Ignored bad PDB record found on line 132460  
ATOM 2056b OH2 TIP3W8896 -21.652 -2.946 -30.417 0.00 0.00 WT6  
  
Ignored bad PDB record found on line 132461  
ATOM 2056c H1 TIP3W8896 -22.023 -3.399 -29.660 0.00 0.00 WT6  
  
Ignored bad PDB record found on line 132462  
ATOM 2056d H2 TIP3W8896 -20.715 -3.140 -30.378 0.00 0.00 WT6  
  
Ignored bad PDB record found on line 132463  
ATOM 2056e OH2 TIP3W8898 7.005 -11.115 -57.948 0.00 0.00 WT6  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 20570  
Duplicate atom serial number found: 20571  
Duplicate atom serial number found: 20572  
Duplicate atom serial number found: 20573  
Duplicate atom serial number found: 20574  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 132475  
ATOM 2057a OH2 TIP3W8905 32.323 -28.596 46.921 0.00 0.00 WT6  
  
Ignored bad PDB record found on line 132476  
ATOM 2057b H1 TIP3W8905 32.581 -28.772 46.017 0.00 0.00 WT6  
  
Ignored bad PDB record found on line 132477  
ATOM 2057c H2 TIP3W8905 31.806 -27.792 46.871 0.00 0.00 WT6  
  
Ignored bad PDB record found on line 132478  
ATOM 2057d OH2 TIP3W8908 -16.483 -48.209 -32.180 0.00 0.00 WT6  
  
Ignored bad PDB record found on line 132479  
ATOM 2057e H1 TIP3W8908 -17.034 -47.583 -32.648 0.00 0.00 WT6  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 20580  
Duplicate atom serial number found: 20581  
Duplicate atom serial number found: 20582  
Duplicate atom serial number found: 20583  
Duplicate atom serial number found: 20584  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 132491  
ATOM 2058a H1 TIP3W8919 14.948 27.863 44.673 0.00 0.00 WT6  
  
Ignored bad PDB record found on line 132492  
ATOM 2058b H2 TIP3W8919 14.222 26.598 45.081 0.00 0.00 WT6  
  
Ignored bad PDB record found on line 132493  
ATOM 2058c OH2 TIP3W8922 -26.926 -16.960 -23.311 0.00 0.00 WT6  
  
Ignored bad PDB record found on line 132494  
ATOM 2058d H1 TIP3W8922 -26.265 -16.277 -23.424 0.00 0.00 WT6  
  
Ignored bad PDB record found on line 132495  
ATOM 2058e H2 TIP3W8922 -26.726 -17.602 -23.992 0.00 0.00 WT6  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 20590  
Duplicate atom serial number found: 20591  
Duplicate atom serial number found: 20592  
Duplicate atom serial number found: 20593  
Duplicate atom serial number found: 20594  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 132507  
ATOM 2059a H2 TIP3W8931 -28.876 21.262 41.285 0.00 0.00 WT6  
  
Ignored bad PDB record found on line 132508  
ATOM 2059b OH2 TIP3W8932 18.138 57.422 -55.536 0.00 0.00 WT6  
  
Ignored bad PDB record found on line 132509  
ATOM 2059c H1 TIP3W8932 18.188 58.376 -55.582 0.00 0.00 WT6  
  
Ignored bad PDB record found on line 132510  
ATOM 2059d H2 TIP3W8932 17.752 57.242 -54.679 0.00 0.00 WT6  
  
Ignored bad PDB record found on line 132511  
ATOM 2059e OH2 TIP3W8935 -46.068 -20.034 -29.239 0.00 0.00 WT6  
  
97 messages similar to the above omitted  
Duplicate atom serial number found: 20600  
Duplicate atom serial number found: 20601  
Duplicate atom serial number found: 20602  
Duplicate atom serial number found: 20603  
Duplicate atom serial number found: 20604  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 132619  
ATOM 2060a OH2 TIP3W9013 30.041 0.748 32.372 0.00 0.00 WT6  
  
Ignored bad PDB record found on line 132620  
ATOM 2060b H1 TIP3W9013 29.595 1.079 31.592 0.00 0.00 WT6  
  
Ignored bad PDB record found on line 132621  
ATOM 2060c H2 TIP3W9013 30.771 0.232 32.030 0.00 0.00 WT6  
  
Ignored bad PDB record found on line 132622  
ATOM 2060d OH2 TIP3W9015 -9.078 -37.469 41.247 0.00 0.00 WT6  
  
Ignored bad PDB record found on line 132623  
ATOM 2060e H1 TIP3W9015 -8.707 -37.923 42.004 0.00 0.00 WT6  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 20610  
Duplicate atom serial number found: 20611  
Duplicate atom serial number found: 20612  
Duplicate atom serial number found: 20613  
Duplicate atom serial number found: 20614  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 132635  
ATOM 2061a H1 TIP3W9023 -34.142 -50.826 26.766 0.00 0.00 WT6  
  
Ignored bad PDB record found on line 132636  
ATOM 2061b H2 TIP3W9023 -32.670 -50.756 26.423 0.00 0.00 WT6  
  
Ignored bad PDB record found on line 132637  
ATOM 2061c OH2 TIP3W9024 58.982 51.432 -26.589 0.00 0.00 WT6  
  
Ignored bad PDB record found on line 132638  
ATOM 2061d H1 TIP3W9024 58.708 51.054 -27.424 0.00 0.00 WT6  
  
Ignored bad PDB record found on line 132639  
ATOM 2061e H2 TIP3W9024 59.930 51.534 -26.671 0.00 0.00 WT6  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 20620  
Duplicate atom serial number found: 20621  
Duplicate atom serial number found: 20622  
Duplicate atom serial number found: 20623  
Duplicate atom serial number found: 20624  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 132651  
ATOM 2062a H2 TIP3W9035 -22.408 -55.678 10.392 0.00 0.00 WT6  
  
Ignored bad PDB record found on line 132652  
ATOM 2062b OH2 TIP3W9037 -11.139 -0.420 36.546 0.00 0.00 WT6  
  
Ignored bad PDB record found on line 132653  
ATOM 2062c H1 TIP3W9037 -10.549 0.088 37.102 0.00 0.00 WT6  
  
Ignored bad PDB record found on line 132654  
ATOM 2062d H2 TIP3W9037 -11.728 -0.859 37.159 0.00 0.00 WT6  
  
Ignored bad PDB record found on line 132655  
ATOM 2062e OH2 TIP3W9039 -55.926 -42.615 19.264 0.00 0.00 WT6  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 20630  
Duplicate atom serial number found: 20631  
Duplicate atom serial number found: 20632  
Duplicate atom serial number found: 20633  
Duplicate atom serial number found: 20634  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 132667  
ATOM 2063a OH2 TIP3W9044 -2.764 -31.289 6.849 0.00 0.00 WT6  
  
Ignored bad PDB record found on line 132668  
ATOM 2063b H1 TIP3W9044 -2.267 -32.085 6.661 0.00 0.00 WT6  
  
Ignored bad PDB record found on line 132669  
ATOM 2063c H2 TIP3W9044 -3.253 -31.116 6.044 0.00 0.00 WT6  
  
Ignored bad PDB record found on line 132670  
ATOM 2063d OH2 TIP3W9045 -2.244 48.515 -44.628 0.00 0.00 WT6  
  
Ignored bad PDB record found on line 132671  
ATOM 2063e H1 TIP3W9045 -1.791 49.285 -44.972 0.00 0.00 WT6  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 20640  
Duplicate atom serial number found: 20641  
Duplicate atom serial number found: 20642  
Duplicate atom serial number found: 20643  
Duplicate atom serial number found: 20644  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 132683  
ATOM 2064a H1 TIP3W9054 27.406 -22.642 -19.670 0.00 0.00 WT6  
  
Ignored bad PDB record found on line 132684  
ATOM 2064b H2 TIP3W9054 27.446 -23.524 -20.900 0.00 0.00 WT6  
  
Ignored bad PDB record found on line 132685  
ATOM 2064c OH2 TIP3W9055 58.564 -19.676 59.894 0.00 0.00 WT6  
  
Ignored bad PDB record found on line 132686  
ATOM 2064d H1 TIP3W9055 58.015 -19.983 60.615 0.00 0.00 WT6  
  
Ignored bad PDB record found on line 132687  
ATOM 2064e H2 TIP3W9055 58.310 -18.761 59.773 0.00 0.00 WT6  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 20650  
Duplicate atom serial number found: 20651  
Duplicate atom serial number found: 20652  
Duplicate atom serial number found: 20653  
Duplicate atom serial number found: 20654  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 132699  
ATOM 2065a H2 TIP3W9059 13.346 30.586 30.452 0.00 0.00 WT6  
  
Ignored bad PDB record found on line 132700  
ATOM 2065b OH2 TIP3W9063 -49.616 -47.022 -58.642 0.00 0.00 WT6  
  
Ignored bad PDB record found on line 132701  
ATOM 2065c H1 TIP3W9063 -50.061 -46.573 -57.923 0.00 0.00 WT6  
  
Ignored bad PDB record found on line 132702  
ATOM 2065d H2 TIP3W9063 -48.695 -47.040 -58.380 0.00 0.00 WT6  
  
Ignored bad PDB record found on line 132703  
ATOM 2065e OH2 TIP3W9064 -10.851 15.587 9.783 0.00 0.00 WT6  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 20660  
Duplicate atom serial number found: 20661  
Duplicate atom serial number found: 20662  
Duplicate atom serial number found: 20663  
Duplicate atom serial number found: 20664  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 132715  
ATOM 2066a OH2 TIP3W9075 -18.459 53.812 0.022 0.00 0.00 WT6  
  
Ignored bad PDB record found on line 132716  
ATOM 2066b H1 TIP3W9075 -19.290 53.497 -0.333 0.00 0.00 WT6  
  
Ignored bad PDB record found on line 132717  
ATOM 2066c H2 TIP3W9075 -18.297 53.255 0.784 0.00 0.00 WT6  
  
Ignored bad PDB record found on line 132718  
ATOM 2066d OH2 TIP3W9076 -19.628 -18.755 7.009 0.00 0.00 WT6  
  
Ignored bad PDB record found on line 132719  
ATOM 2066e H1 TIP3W9076 -19.543 -19.024 6.095 0.00 0.00 WT6  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 20670  
Duplicate atom serial number found: 20671  
Duplicate atom serial number found: 20672  
Duplicate atom serial number found: 20673  
Duplicate atom serial number found: 20674  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 132731  
ATOM 2067a H1 TIP3W9082 -20.379 -53.542 0.278 0.00 0.00 WT6  
  
Ignored bad PDB record found on line 132732  
ATOM 2067b H2 TIP3W9082 -20.780 -54.679 1.195 0.00 0.00 WT6  
  
Ignored bad PDB record found on line 132733  
ATOM 2067c OH2 TIP3W9084 4.929 -31.028 59.810 0.00 0.00 WT6  
  
Ignored bad PDB record found on line 132734  
ATOM 2067d H1 TIP3W9084 4.908 -31.571 59.022 0.00 0.00 WT6  
  
Ignored bad PDB record found on line 132735  
ATOM 2067e H2 TIP3W9084 5.622 -31.412 60.348 0.00 0.00 WT6  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 20680  
Duplicate atom serial number found: 20681  
Duplicate atom serial number found: 20682  
Duplicate atom serial number found: 20683  
Duplicate atom serial number found: 20684  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 132747  
ATOM 2068a H2 TIP3W9099 -24.353 46.335 8.534 0.00 0.00 WT6  
  
Ignored bad PDB record found on line 132748  
ATOM 2068b OH2 TIP3W9102 21.849 45.263 -31.763 0.00 0.00 WT6  
  
Ignored bad PDB record found on line 132749  
ATOM 2068c H1 TIP3W9102 22.246 45.203 -30.894 0.00 0.00 WT6  
  
Ignored bad PDB record found on line 132750  
ATOM 2068d H2 TIP3W9102 21.797 44.357 -32.066 0.00 0.00 WT6  
  
Ignored bad PDB record found on line 132751  
ATOM 2068e OH2 TIP3W9104 58.777 -12.409 42.463 0.00 0.00 WT6  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 20690  
Duplicate atom serial number found: 20691  
Duplicate atom serial number found: 20692  
Duplicate atom serial number found: 20693  
Duplicate atom serial number found: 20694  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 132763  
ATOM 2069a OH2 TIP3W9109 54.464 8.739 13.454 0.00 0.00 WT6  
  
Ignored bad PDB record found on line 132764  
ATOM 2069b H1 TIP3W9109 54.482 8.211 12.656 0.00 0.00 WT6  
  
Ignored bad PDB record found on line 132765  
ATOM 2069c H2 TIP3W9109 54.371 8.101 14.162 0.00 0.00 WT6  
  
Ignored bad PDB record found on line 132766  
ATOM 2069d OH2 TIP3W9110 43.261 -38.567 54.336 0.00 0.00 WT6  
  
Ignored bad PDB record found on line 132767  
ATOM 2069e H1 TIP3W9110 43.293 -38.541 55.292 0.00 0.00 WT6  
  
97 messages similar to the above omitted  
Duplicate atom serial number found: 20700  
Duplicate atom serial number found: 20701  
Duplicate atom serial number found: 20702  
Duplicate atom serial number found: 20703  
Duplicate atom serial number found: 20704  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 132875  
ATOM 2070a H1 TIP3W9188 -29.933 -6.479 -10.304 0.00 0.00 WT6  
  
Ignored bad PDB record found on line 132876  
ATOM 2070b H2 TIP3W9188 -29.366 -5.457 -9.342 0.00 0.00 WT6  
  
Ignored bad PDB record found on line 132877  
ATOM 2070c OH2 TIP3W9189 -4.635 37.562 -60.928 0.00 0.00 WT6  
  
Ignored bad PDB record found on line 132878  
ATOM 2070d H1 TIP3W9189 -5.253 38.289 -60.847 0.00 0.00 WT6  
  
Ignored bad PDB record found on line 132879  
ATOM 2070e H2 TIP3W9189 -3.826 37.890 -60.534 0.00 0.00 WT6  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 20710  
Duplicate atom serial number found: 20711  
Duplicate atom serial number found: 20712  
Duplicate atom serial number found: 20713  
Duplicate atom serial number found: 20714  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 132891  
ATOM 2071a H2 TIP3W9198 55.576 41.166 -42.572 0.00 0.00 WT6  
  
Ignored bad PDB record found on line 132892  
ATOM 2071b OH2 TIP3W9203 -25.163 -18.523 25.512 0.00 0.00 WT6  
  
Ignored bad PDB record found on line 132893  
ATOM 2071c H1 TIP3W9203 -25.556 -18.080 26.264 0.00 0.00 WT6  
  
Ignored bad PDB record found on line 132894  
ATOM 2071d H2 TIP3W9203 -25.907 -18.768 24.962 0.00 0.00 WT6  
  
Ignored bad PDB record found on line 132895  
ATOM 2071e OH2 TIP3W9206 -15.095 24.774 -56.707 0.00 0.00 WT6  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 20720  
Duplicate atom serial number found: 20721  
Duplicate atom serial number found: 20722  
Duplicate atom serial number found: 20723  
Duplicate atom serial number found: 20724  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 132907  
ATOM 2072a OH2 TIP3W9212 -3.237 -33.105 -8.719 0.00 0.00 WT6  
  
Ignored bad PDB record found on line 132908  
ATOM 2072b H1 TIP3W9212 -2.413 -33.480 -8.408 0.00 0.00 WT6  
  
Ignored bad PDB record found on line 132909  
ATOM 2072c H2 TIP3W9212 -3.897 -33.765 -8.506 0.00 0.00 WT6  
  
Ignored bad PDB record found on line 132910  
ATOM 2072d OH2 TIP3W9213 -27.116 2.039 -57.596 0.00 0.00 WT6  
  
Ignored bad PDB record found on line 132911  
ATOM 2072e H1 TIP3W9213 -27.718 1.421 -57.181 0.00 0.00 WT6  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 20730  
Duplicate atom serial number found: 20731  
Duplicate atom serial number found: 20732  
Duplicate atom serial number found: 20733  
Duplicate atom serial number found: 20734  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 132923  
ATOM 2073a H1 TIP3W9226 23.637 34.271 38.288 0.00 0.00 WT6  
  
Ignored bad PDB record found on line 132924  
ATOM 2073b H2 TIP3W9226 23.947 32.996 37.532 0.00 0.00 WT6  
  
Ignored bad PDB record found on line 132925  
ATOM 2073c OH2 TIP3W9228 28.342 -43.848 -31.468 0.00 0.00 WT6  
  
Ignored bad PDB record found on line 132926  
ATOM 2073d H1 TIP3W9228 28.000 -43.320 -30.747 0.00 0.00 WT6  
  
Ignored bad PDB record found on line 132927  
ATOM 2073e H2 TIP3W9228 28.677 -43.207 -32.096 0.00 0.00 WT6  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 20740  
Duplicate atom serial number found: 20741  
Duplicate atom serial number found: 20742  
Duplicate atom serial number found: 20743  
Duplicate atom serial number found: 20744  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 132939  
ATOM 2074a H2 TIP3W9241 19.969 -8.424 39.441 0.00 0.00 WT6  
  
Ignored bad PDB record found on line 132940  
ATOM 2074b OH2 TIP3W9244 24.073 -33.107 -5.233 0.00 0.00 WT6  
  
Ignored bad PDB record found on line 132941  
ATOM 2074c H1 TIP3W9244 24.838 -33.565 -5.580 0.00 0.00 WT6  
  
Ignored bad PDB record found on line 132942  
ATOM 2074d H2 TIP3W9244 24.377 -32.718 -4.413 0.00 0.00 WT6  
  
Ignored bad PDB record found on line 132943  
ATOM 2074e OH2 TIP3W9246 -50.748 24.133 56.303 0.00 0.00 WT6  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 20750  
Duplicate atom serial number found: 20751  
Duplicate atom serial number found: 20752  
Duplicate atom serial number found: 20753  
Duplicate atom serial number found: 20754  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 132955  
ATOM 2075a OH2 TIP3W9253 5.446 -32.919 19.806 0.00 0.00 WT6  
  
Ignored bad PDB record found on line 132956  
ATOM 2075b H1 TIP3W9253 6.203 -33.297 20.252 0.00 0.00 WT6  
  
Ignored bad PDB record found on line 132957  
ATOM 2075c H2 TIP3W9253 4.999 -32.409 20.481 0.00 0.00 WT6  
  
Ignored bad PDB record found on line 132958  
ATOM 2075d OH2 TIP3W9254 25.029 -3.870 -55.068 0.00 0.00 WT6  
  
Ignored bad PDB record found on line 132959  
ATOM 2075e H1 TIP3W9254 24.775 -4.470 -55.770 0.00 0.00 WT6  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 20760  
Duplicate atom serial number found: 20761  
Duplicate atom serial number found: 20762  
Duplicate atom serial number found: 20763  
Duplicate atom serial number found: 20764  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 132971  
ATOM 2076a H1 TIP3W 7 1.328 -44.946 -21.311 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 132972  
ATOM 2076b H2 TIP3W 7 2.422 -44.069 -20.741 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 132973  
ATOM 2076c OH2 TIP3W 8 -51.347 30.285 -51.706 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 132974  
ATOM 2076d H1 TIP3W 8 -51.997 30.953 -51.925 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 132975  
ATOM 2076e H2 TIP3W 8 -50.599 30.780 -51.371 0.00 0.00 WT7  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 20770  
Duplicate atom serial number found: 20771  
Duplicate atom serial number found: 20772  
Duplicate atom serial number found: 20773  
Duplicate atom serial number found: 20774  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 132987  
ATOM 2077a H2 TIP3W 21 44.992 -33.839 -50.661 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 132988  
ATOM 2077b OH2 TIP3W 26 1.960 33.186 -22.764 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 132989  
ATOM 2077c H1 TIP3W 26 1.419 33.711 -23.353 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 132990  
ATOM 2077d H2 TIP3W 26 1.565 33.310 -21.901 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 132991  
ATOM 2077e OH2 TIP3W 29 -61.076 16.997 -35.017 0.00 0.00 WT7  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 20780  
Duplicate atom serial number found: 20781  
Duplicate atom serial number found: 20782  
Duplicate atom serial number found: 20783  
Duplicate atom serial number found: 20784  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 133003  
ATOM 2078a OH2 TIP3W 42 -52.069 -60.621 -27.134 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 133004  
ATOM 2078b H1 TIP3W 42 -52.268 -59.860 -26.589 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 133005  
ATOM 2078c H2 TIP3W 42 -52.897 -60.828 -27.568 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 133006  
ATOM 2078d OH2 TIP3W 44 -43.210 -16.720 -35.356 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 133007  
ATOM 2078e H1 TIP3W 44 -43.869 -16.831 -36.042 0.00 0.00 WT7  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 20790  
Duplicate atom serial number found: 20791  
Duplicate atom serial number found: 20792  
Duplicate atom serial number found: 20793  
Duplicate atom serial number found: 20794  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 133019  
ATOM 2079a H1 TIP3W 52 -44.803 -25.312 -29.815 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 133020  
ATOM 2079b H2 TIP3W 52 -44.138 -24.571 -28.674 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 133021  
ATOM 2079c OH2 TIP3W 53 17.085 -40.257 19.783 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 133022  
ATOM 2079d H1 TIP3W 53 17.337 -40.619 18.933 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 133023  
ATOM 2079e H2 TIP3W 53 16.562 -39.485 19.569 0.00 0.00 WT7  
  
97 messages similar to the above omitted  
Duplicate atom serial number found: 20800  
Duplicate atom serial number found: 20801  
Duplicate atom serial number found: 20802  
Duplicate atom serial number found: 20803  
Duplicate atom serial number found: 20804  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 133131  
ATOM 2080a H2 TIP3W 120 -30.303 -21.063 -52.117 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 133132  
ATOM 2080b OH2 TIP3W 122 -50.072 -24.093 -21.956 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 133133  
ATOM 2080c H1 TIP3W 122 -49.698 -24.935 -21.695 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 133134  
ATOM 2080d H2 TIP3W 122 -49.478 -23.441 -21.583 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 133135  
ATOM 2080e OH2 TIP3W 123 -24.433 34.634 -61.028 0.00 0.00 WT7  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 20810  
Duplicate atom serial number found: 20811  
Duplicate atom serial number found: 20812  
Duplicate atom serial number found: 20813  
Duplicate atom serial number found: 20814  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 133147  
ATOM 2081a OH2 TIP3W 127 45.154 -2.549 -38.808 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 133148  
ATOM 2081b H1 TIP3W 127 45.834 -3.116 -39.173 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 133149  
ATOM 2081c H2 TIP3W 127 44.699 -2.197 -39.574 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 133150  
ATOM 2081d OH2 TIP3W 128 -13.741 41.608 -30.995 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 133151  
ATOM 2081e H1 TIP3W 128 -14.542 42.034 -31.300 0.00 0.00 WT7  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 20820  
Duplicate atom serial number found: 20821  
Duplicate atom serial number found: 20822  
Duplicate atom serial number found: 20823  
Duplicate atom serial number found: 20824  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 133163  
ATOM 2082a H1 TIP3W 133 -31.712 -60.599 -31.448 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 133164  
ATOM 2082b H2 TIP3W 133 -32.932 -60.577 -32.343 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 133165  
ATOM 2082c OH2 TIP3W 134 20.056 31.683 -14.233 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 133166  
ATOM 2082d H1 TIP3W 134 20.059 30.898 -13.685 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 133167  
ATOM 2082e H2 TIP3W 134 19.838 32.395 -13.631 0.00 0.00 WT7  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 20830  
Duplicate atom serial number found: 20831  
Duplicate atom serial number found: 20832  
Duplicate atom serial number found: 20833  
Duplicate atom serial number found: 20834  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 133179  
ATOM 2083a H2 TIP3W 141 -40.126 50.234 -31.089 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 133180  
ATOM 2083b OH2 TIP3W 142 51.056 -30.085 -14.396 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 133181  
ATOM 2083c H1 TIP3W 142 51.926 -29.698 -14.296 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 133182  
ATOM 2083d H2 TIP3W 142 50.770 -29.812 -15.268 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 133183  
ATOM 2083e OH2 TIP3W 143 33.392 -2.038 51.867 0.00 0.00 WT7  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 20840  
Duplicate atom serial number found: 20841  
Duplicate atom serial number found: 20842  
Duplicate atom serial number found: 20843  
Duplicate atom serial number found: 20844  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 133195  
ATOM 2084a OH2 TIP3W 148 19.720 13.820 -25.339 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 133196  
ATOM 2084b H1 TIP3W 148 20.047 12.939 -25.523 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 133197  
ATOM 2084c H2 TIP3W 148 18.962 13.919 -25.914 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 133198  
ATOM 2084d OH2 TIP3W 149 -12.702 41.362 -44.151 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 133199  
ATOM 2084e H1 TIP3W 149 -13.303 41.621 -44.849 0.00 0.00 WT7  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 20850  
Duplicate atom serial number found: 20851  
Duplicate atom serial number found: 20852  
Duplicate atom serial number found: 20853  
Duplicate atom serial number found: 20854  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 133211  
ATOM 2085a H1 TIP3W 155 40.831 -11.107 24.119 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 133212  
ATOM 2085b H2 TIP3W 155 41.833 -9.979 24.246 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 133213  
ATOM 2085c OH2 TIP3W 156 39.594 -53.853 53.000 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 133214  
ATOM 2085d H1 TIP3W 156 38.731 -53.472 53.164 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 133215  
ATOM 2085e H2 TIP3W 156 39.436 -54.530 52.342 0.00 0.00 WT7  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 20860  
Duplicate atom serial number found: 20861  
Duplicate atom serial number found: 20862  
Duplicate atom serial number found: 20863  
Duplicate atom serial number found: 20864  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 133227  
ATOM 2086a H2 TIP3W 163 22.046 48.320 -57.506 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 133228  
ATOM 2086b OH2 TIP3W 165 9.597 55.886 -30.049 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 133229  
ATOM 2086c H1 TIP3W 165 9.022 55.953 -29.287 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 133230  
ATOM 2086d H2 TIP3W 165 9.689 54.946 -30.199 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 133231  
ATOM 2086e OH2 TIP3W 166 -48.305 -24.172 1.715 0.00 0.00 WT7  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 20870  
Duplicate atom serial number found: 20871  
Duplicate atom serial number found: 20872  
Duplicate atom serial number found: 20873  
Duplicate atom serial number found: 20874  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 133243  
ATOM 2087a OH2 TIP3W 170 -43.780 -8.433 57.649 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 133244  
ATOM 2087b H1 TIP3W 170 -43.121 -7.757 57.807 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 133245  
ATOM 2087c H2 TIP3W 170 -44.174 -8.590 58.506 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 133246  
ATOM 2087d OH2 TIP3W 172 -31.717 37.359 11.627 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 133247  
ATOM 2087e H1 TIP3W 172 -31.253 37.534 12.446 0.00 0.00 WT7  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 20880  
Duplicate atom serial number found: 20881  
Duplicate atom serial number found: 20882  
Duplicate atom serial number found: 20883  
Duplicate atom serial number found: 20884  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 133259  
ATOM 2088a H1 TIP3W 178 8.456 19.920 58.290 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 133260  
ATOM 2088b H2 TIP3W 178 7.718 20.308 57.027 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 133261  
ATOM 2088c OH2 TIP3W 179 18.553 -41.905 -43.853 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 133262  
ATOM 2088d H1 TIP3W 179 18.503 -40.950 -43.865 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 133263  
ATOM 2088e H2 TIP3W 179 17.979 -42.185 -44.566 0.00 0.00 WT7  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 20890  
Duplicate atom serial number found: 20891  
Duplicate atom serial number found: 20892  
Duplicate atom serial number found: 20893  
Duplicate atom serial number found: 20894  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 133275  
ATOM 2089a H2 TIP3W 188 -40.163 -31.864 -44.415 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 133276  
ATOM 2089b OH2 TIP3W 190 55.754 26.197 -31.865 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 133277  
ATOM 2089c H1 TIP3W 190 56.634 26.181 -32.241 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 133278  
ATOM 2089d H2 TIP3W 190 55.893 26.383 -30.936 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 133279  
ATOM 2089e OH2 TIP3W 191 55.968 43.844 -5.688 0.00 0.00 WT7  
  
97 messages similar to the above omitted  
Duplicate atom serial number found: 20900  
Duplicate atom serial number found: 20901  
Duplicate atom serial number found: 20902  
Duplicate atom serial number found: 20903  
Duplicate atom serial number found: 20904  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 133387  
ATOM 2090a OH2 TIP3W 248 29.040 59.041 33.350 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 133388  
ATOM 2090b H1 TIP3W 248 28.565 58.694 32.595 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 133389  
ATOM 2090c H2 TIP3W 248 29.945 58.763 33.213 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 133390  
ATOM 2090d OH2 TIP3W 250 -30.000 -55.934 38.766 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 133391  
ATOM 2090e H1 TIP3W 250 -29.157 -56.304 39.029 0.00 0.00 WT7  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 20910  
Duplicate atom serial number found: 20911  
Duplicate atom serial number found: 20912  
Duplicate atom serial number found: 20913  
Duplicate atom serial number found: 20914  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 133403  
ATOM 2091a H1 TIP3W 254 45.771 -30.245 57.678 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 133404  
ATOM 2091b H2 TIP3W 254 44.963 -29.318 56.796 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 133405  
ATOM 2091c OH2 TIP3W 255 -35.454 -44.251 -58.031 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 133406  
ATOM 2091d H1 TIP3W 255 -35.635 -43.951 -57.140 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 133407  
ATOM 2091e H2 TIP3W 255 -36.085 -44.955 -58.181 0.00 0.00 WT7  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 20920  
Duplicate atom serial number found: 20921  
Duplicate atom serial number found: 20922  
Duplicate atom serial number found: 20923  
Duplicate atom serial number found: 20924  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 133419  
ATOM 2092a H2 TIP3W 260 -32.697 -34.172 23.320 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 133420  
ATOM 2092b OH2 TIP3W 261 59.536 -60.838 -7.737 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 133421  
ATOM 2092c H1 TIP3W 261 60.415 -60.515 -7.539 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 133422  
ATOM 2092d H2 TIP3W 261 59.273 -60.351 -8.518 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 133423  
ATOM 2092e OH2 TIP3W 262 -53.050 -57.753 -17.141 0.00 0.00 WT7  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 20930  
Duplicate atom serial number found: 20931  
Duplicate atom serial number found: 20932  
Duplicate atom serial number found: 20933  
Duplicate atom serial number found: 20934  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 133435  
ATOM 2093a OH2 TIP3W 268 20.673 52.495 19.593 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 133436  
ATOM 2093b H1 TIP3W 268 21.267 53.236 19.477 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 133437  
ATOM 2093c H2 TIP3W 268 19.819 52.895 19.753 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 133438  
ATOM 2093d OH2 TIP3W 269 4.614 -51.140 -15.109 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 133439  
ATOM 2093e H1 TIP3W 269 4.197 -50.362 -15.481 0.00 0.00 WT7  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 20940  
Duplicate atom serial number found: 20941  
Duplicate atom serial number found: 20942  
Duplicate atom serial number found: 20943  
Duplicate atom serial number found: 20944  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 133451  
ATOM 2094a H1 TIP3W 283 -12.258 -34.954 -43.981 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 133452  
ATOM 2094b H2 TIP3W 283 -11.480 -35.779 -42.978 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 133453  
ATOM 2094c OH2 TIP3W 284 -22.373 60.141 9.200 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 133454  
ATOM 2094d H1 TIP3W 284 -23.063 60.074 8.539 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 133455  
ATOM 2094e H2 TIP3W 284 -22.431 59.322 9.691 0.00 0.00 WT7  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 20950  
Duplicate atom serial number found: 20951  
Duplicate atom serial number found: 20952  
Duplicate atom serial number found: 20953  
Duplicate atom serial number found: 20954  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 133467  
ATOM 2095a H2 TIP3W 295 50.709 -43.657 -52.825 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 133468  
ATOM 2095b OH2 TIP3W 297 -47.844 5.711 -53.200 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 133469  
ATOM 2095c H1 TIP3W 297 -47.507 5.403 -52.359 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 133470  
ATOM 2095d H2 TIP3W 297 -47.075 5.741 -53.770 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 133471  
ATOM 2095e OH2 TIP3W 300 27.189 31.562 -54.065 0.00 0.00 WT7  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 20960  
Duplicate atom serial number found: 20961  
Duplicate atom serial number found: 20962  
Duplicate atom serial number found: 20963  
Duplicate atom serial number found: 20964  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 133483  
ATOM 2096a OH2 TIP3W 306 26.466 1.272 59.567 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 133484  
ATOM 2096b H1 TIP3W 306 26.408 1.714 58.720 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 133485  
ATOM 2096c H2 TIP3W 306 25.641 1.482 60.005 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 133486  
ATOM 2096d OH2 TIP3W 308 -20.005 26.780 -16.053 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 133487  
ATOM 2096e H1 TIP3W 308 -20.162 27.632 -16.459 0.00 0.00 WT7  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 20970  
Duplicate atom serial number found: 20971  
Duplicate atom serial number found: 20972  
Duplicate atom serial number found: 20973  
Duplicate atom serial number found: 20974  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 133499  
ATOM 2097a H1 TIP3W 313 -49.591 43.027 2.009 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 133500  
ATOM 2097b H2 TIP3W 313 -49.606 44.467 2.475 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 133501  
ATOM 2097c OH2 TIP3W 314 7.303 0.792 -14.725 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 133502  
ATOM 2097d H1 TIP3W 314 6.706 0.111 -14.415 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 133503  
ATOM 2097e H2 TIP3W 314 7.172 0.813 -15.673 0.00 0.00 WT7  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 20980  
Duplicate atom serial number found: 20981  
Duplicate atom serial number found: 20982  
Duplicate atom serial number found: 20983  
Duplicate atom serial number found: 20984  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 133515  
ATOM 2098a H2 TIP3W 322 13.363 -42.733 -6.130 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 133516  
ATOM 2098b OH2 TIP3W 323 21.444 44.529 35.866 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 133517  
ATOM 2098c H1 TIP3W 323 22.001 44.895 35.180 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 133518  
ATOM 2098d H2 TIP3W 323 21.887 44.761 36.683 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 133519  
ATOM 2098e OH2 TIP3W 325 -18.378 -23.320 -31.836 0.00 0.00 WT7  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 20990  
Duplicate atom serial number found: 20991  
Duplicate atom serial number found: 20992  
Duplicate atom serial number found: 20993  
Duplicate atom serial number found: 20994  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 133531  
ATOM 2099a OH2 TIP3W 332 14.483 25.483 -31.963 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 133532  
ATOM 2099b H1 TIP3W 332 15.262 24.929 -31.924 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 133533  
ATOM 2099c H2 TIP3W 332 14.499 25.978 -31.144 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 133534  
ATOM 2099d OH2 TIP3W 336 -29.613 54.730 51.951 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 133535  
ATOM 2099e H1 TIP3W 336 -30.038 53.877 51.863 0.00 0.00 WT7  
  
1633 messages similar to the above omitted  
Duplicate atom serial number found: 21000  
Duplicate atom serial number found: 21001  
Duplicate atom serial number found: 21002  
Duplicate atom serial number found: 21003  
Duplicate atom serial number found: 21004  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 135179  
ATOM 2100a H1 TIP3W1235 37.112 -15.264 5.156 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 135180  
ATOM 2100b H2 TIP3W1235 37.647 -13.903 5.548 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 135181  
ATOM 2100c OH2 TIP3W1238 49.504 13.093 -44.023 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 135182  
ATOM 2100d H1 TIP3W1238 49.526 13.038 -44.978 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 135183  
ATOM 2100e H2 TIP3W1238 50.422 13.042 -43.758 0.00 0.00 WT7  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 21010  
Duplicate atom serial number found: 21011  
Duplicate atom serial number found: 21012  
Duplicate atom serial number found: 21013  
Duplicate atom serial number found: 21014  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 135195  
ATOM 2101a H2 TIP3W1248 -1.360 57.138 -0.003 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 135196  
ATOM 2101b OH2 TIP3W1249 -12.401 -29.262 -11.790 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 135197  
ATOM 2101c H1 TIP3W1249 -12.136 -29.163 -10.875 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 135198  
ATOM 2101d H2 TIP3W1249 -12.259 -30.189 -11.981 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 135199  
ATOM 2101e OH2 TIP3W1252 18.598 14.621 -9.686 0.00 0.00 WT7  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 21020  
Duplicate atom serial number found: 21021  
Duplicate atom serial number found: 21022  
Duplicate atom serial number found: 21023  
Duplicate atom serial number found: 21024  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 135211  
ATOM 2102a OH2 TIP3W1262 11.048 28.600 7.575 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 135212  
ATOM 2102b H1 TIP3W1262 11.912 28.192 7.627 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 135213  
ATOM 2102c H2 TIP3W1262 11.076 29.307 8.219 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 135214  
ATOM 2102d OH2 TIP3W1263 -50.938 -42.089 10.099 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 135215  
ATOM 2102e H1 TIP3W1263 -51.150 -41.806 9.210 0.00 0.00 WT7  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 21030  
Duplicate atom serial number found: 21031  
Duplicate atom serial number found: 21032  
Duplicate atom serial number found: 21033  
Duplicate atom serial number found: 21034  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 135227  
ATOM 2103a H1 TIP3W1271 -1.505 -10.324 34.727 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 135228  
ATOM 2103b H2 TIP3W1271 -0.998 -9.000 34.197 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 135229  
ATOM 2103c OH2 TIP3W1272 -12.805 -16.176 -60.774 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 135230  
ATOM 2103d H1 TIP3W1272 -11.958 -16.595 -60.619 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 135231  
ATOM 2103e H2 TIP3W1272 -13.230 -16.730 -61.429 0.00 0.00 WT7  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 21040  
Duplicate atom serial number found: 21041  
Duplicate atom serial number found: 21042  
Duplicate atom serial number found: 21043  
Duplicate atom serial number found: 21044  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 135243  
ATOM 2104a H2 TIP3W1278 -18.465 19.224 -58.529 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 135244  
ATOM 2104b OH2 TIP3W1279 -6.262 -57.681 -11.008 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 135245  
ATOM 2104c H1 TIP3W1279 -6.676 -58.536 -10.893 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 135246  
ATOM 2104d H2 TIP3W1279 -5.994 -57.666 -11.927 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 135247  
ATOM 2104e OH2 TIP3W1281 -26.259 29.839 -39.940 0.00 0.00 WT7  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 21050  
Duplicate atom serial number found: 21051  
Duplicate atom serial number found: 21052  
Duplicate atom serial number found: 21053  
Duplicate atom serial number found: 21054  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 135259  
ATOM 2105a OH2 TIP3W1295 8.132 -0.370 27.701 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 135260  
ATOM 2105b H1 TIP3W1295 7.573 -0.803 28.346 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 135261  
ATOM 2105c H2 TIP3W1295 9.004 -0.376 28.096 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 135262  
ATOM 2105d OH2 TIP3W1297 5.964 13.322 58.652 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 135263  
ATOM 2105e H1 TIP3W1297 6.062 14.258 58.830 0.00 0.00 WT7  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 21060  
Duplicate atom serial number found: 21061  
Duplicate atom serial number found: 21062  
Duplicate atom serial number found: 21063  
Duplicate atom serial number found: 21064  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 135275  
ATOM 2106a H1 TIP3W1301 3.640 22.717 -31.025 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 135276  
ATOM 2106b H2 TIP3W1301 4.755 22.582 -30.011 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 135277  
ATOM 2106c OH2 TIP3W1302 10.507 -23.529 50.843 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 135278  
ATOM 2106d H1 TIP3W1302 11.452 -23.488 50.698 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 135279  
ATOM 2106e H2 TIP3W1302 10.300 -24.463 50.812 0.00 0.00 WT7  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 21070  
Duplicate atom serial number found: 21071  
Duplicate atom serial number found: 21072  
Duplicate atom serial number found: 21073  
Duplicate atom serial number found: 21074  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 135291  
ATOM 2107a H2 TIP3W1310 43.679 14.295 -39.320 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 135292  
ATOM 2107b OH2 TIP3W1311 15.078 -24.981 18.510 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 135293  
ATOM 2107c H1 TIP3W1311 14.555 -24.179 18.531 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 135294  
ATOM 2107d H2 TIP3W1311 14.715 -25.486 17.783 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 135295  
ATOM 2107e OH2 TIP3W1313 24.446 -29.456 -35.212 0.00 0.00 WT7  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 21080  
Duplicate atom serial number found: 21081  
Duplicate atom serial number found: 21082  
Duplicate atom serial number found: 21083  
Duplicate atom serial number found: 21084  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 135307  
ATOM 2108a OH2 TIP3W1326 37.029 61.119 -23.956 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 135308  
ATOM 2108b H1 TIP3W1326 37.608 61.231 -24.710 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 135309  
ATOM 2108c H2 TIP3W1326 37.258 60.259 -23.604 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 135310  
ATOM 2108d OH2 TIP3W1327 28.541 46.284 -34.273 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 135311  
ATOM 2108e H1 TIP3W1327 28.510 45.327 -34.269 0.00 0.00 WT7  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 21090  
Duplicate atom serial number found: 21091  
Duplicate atom serial number found: 21092  
Duplicate atom serial number found: 21093  
Duplicate atom serial number found: 21094  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 135323  
ATOM 2109a H1 TIP3W1331 -1.539 41.132 20.291 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 135324  
ATOM 2109b H2 TIP3W1331 -1.689 41.390 21.775 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 135325  
ATOM 2109c OH2 TIP3W1332 47.844 6.672 39.518 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 135326  
ATOM 2109d H1 TIP3W1332 47.491 6.988 38.687 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 135327  
ATOM 2109e H2 TIP3W1332 47.151 6.120 39.880 0.00 0.00 WT7  
  
97 messages similar to the above omitted  
Duplicate atom serial number found: 21100  
Duplicate atom serial number found: 21101  
Duplicate atom serial number found: 21102  
Duplicate atom serial number found: 21103  
Duplicate atom serial number found: 21104  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 135435  
ATOM 2110a H2 TIP3W1394 -50.736 -30.155 25.143 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 135436  
ATOM 2110b OH2 TIP3W1395 -5.517 59.873 -53.687 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 135437  
ATOM 2110c H1 TIP3W1395 -4.656 59.881 -54.107 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 135438  
ATOM 2110d H2 TIP3W1395 -5.672 60.785 -53.443 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 135439  
ATOM 2110e OH2 TIP3W1396 61.021 19.660 -54.159 0.00 0.00 WT7  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 21110  
Duplicate atom serial number found: 21111  
Duplicate atom serial number found: 21112  
Duplicate atom serial number found: 21113  
Duplicate atom serial number found: 21114  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 135451  
ATOM 2111a OH2 TIP3W1401 -50.414 -50.099 -23.312 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 135452  
ATOM 2111b H1 TIP3W1401 -50.039 -50.008 -24.188 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 135453  
ATOM 2111c H2 TIP3W1401 -50.072 -50.933 -22.989 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 135454  
ATOM 2111d OH2 TIP3W1402 -53.373 -20.747 12.982 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 135455  
ATOM 2111e H1 TIP3W1402 -52.755 -21.437 12.744 0.00 0.00 WT7  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 21120  
Duplicate atom serial number found: 21121  
Duplicate atom serial number found: 21122  
Duplicate atom serial number found: 21123  
Duplicate atom serial number found: 21124  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 135467  
ATOM 2112a H1 TIP3W1408 35.403 -22.922 28.243 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 135468  
ATOM 2112b H2 TIP3W1408 33.903 -22.935 28.448 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 135469  
ATOM 2112c OH2 TIP3W1410 -59.255 16.764 -23.611 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 135470  
ATOM 2112d H1 TIP3W1410 -60.139 17.123 -23.535 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 135471  
ATOM 2112e H2 TIP3W1410 -59.193 16.127 -22.900 0.00 0.00 WT7  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 21130  
Duplicate atom serial number found: 21131  
Duplicate atom serial number found: 21132  
Duplicate atom serial number found: 21133  
Duplicate atom serial number found: 21134  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 135483  
ATOM 2113a H2 TIP3W1414 -56.805 5.884 -4.955 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 135484  
ATOM 2113b OH2 TIP3W1415 -0.701 53.894 15.269 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 135485  
ATOM 2113c H1 TIP3W1415 -0.799 54.765 15.654 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 135486  
ATOM 2113d H2 TIP3W1415 -0.252 53.383 15.943 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 135487  
ATOM 2113e OH2 TIP3W1416 48.926 -43.181 -22.148 0.00 0.00 WT7  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 21140  
Duplicate atom serial number found: 21141  
Duplicate atom serial number found: 21142  
Duplicate atom serial number found: 21143  
Duplicate atom serial number found: 21144  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 135499  
ATOM 2114a OH2 TIP3W1420 -26.886 -10.877 -15.504 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 135500  
ATOM 2114b H1 TIP3W1420 -26.472 -11.456 -14.864 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 135501  
ATOM 2114c H2 TIP3W1420 -26.575 -10.001 -15.273 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 135502  
ATOM 2114d OH2 TIP3W1421 -26.678 -5.601 -13.383 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 135503  
ATOM 2114e H1 TIP3W1421 -26.922 -4.786 -13.823 0.00 0.00 WT7  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 21150  
Duplicate atom serial number found: 21151  
Duplicate atom serial number found: 21152  
Duplicate atom serial number found: 21153  
Duplicate atom serial number found: 21154  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 135515  
ATOM 2115a H1 TIP3W1428 8.032 14.370 -31.750 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 135516  
ATOM 2115b H2 TIP3W1428 7.565 14.109 -33.166 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 135517  
ATOM 2115c OH2 TIP3W1429 -11.269 -58.838 -27.308 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 135518  
ATOM 2115d H1 TIP3W1429 -11.223 -58.192 -28.013 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 135519  
ATOM 2115e H2 TIP3W1429 -12.028 -59.379 -27.528 0.00 0.00 WT7  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 21160  
Duplicate atom serial number found: 21161  
Duplicate atom serial number found: 21162  
Duplicate atom serial number found: 21163  
Duplicate atom serial number found: 21164  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 135531  
ATOM 2116a H2 TIP3W1435 58.123 -24.573 39.036 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 135532  
ATOM 2116b OH2 TIP3W1436 -1.638 -61.139 42.416 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 135533  
ATOM 2116c H1 TIP3W1436 -1.858 -60.686 43.230 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 135534  
ATOM 2116d H2 TIP3W1436 -1.530 -60.439 41.773 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 135535  
ATOM 2116e OH2 TIP3W1437 3.776 -14.093 52.696 0.00 0.00 WT7  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 21170  
Duplicate atom serial number found: 21171  
Duplicate atom serial number found: 21172  
Duplicate atom serial number found: 21173  
Duplicate atom serial number found: 21174  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 135547  
ATOM 2117a OH2 TIP3W1443 11.504 29.761 -15.445 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 135548  
ATOM 2117b H1 TIP3W1443 11.281 30.256 -16.234 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 135549  
ATOM 2117c H2 TIP3W1443 12.282 30.199 -15.100 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 135550  
ATOM 2117d OH2 TIP3W1444 50.480 -0.434 -41.764 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 135551  
ATOM 2117e H1 TIP3W1444 50.106 -0.185 -40.919 0.00 0.00 WT7  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 21180  
Duplicate atom serial number found: 21181  
Duplicate atom serial number found: 21182  
Duplicate atom serial number found: 21183  
Duplicate atom serial number found: 21184  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 135563  
ATOM 2118a H1 TIP3W1449 60.290 -36.985 48.464 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 135564  
ATOM 2118b H2 TIP3W1449 60.958 -38.148 49.167 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 135565  
ATOM 2118c OH2 TIP3W1450 3.693 -18.604 20.032 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 135566  
ATOM 2118d H1 TIP3W1450 3.336 -19.339 19.533 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 135567  
ATOM 2118e H2 TIP3W1450 4.411 -18.273 19.492 0.00 0.00 WT7  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 21190  
Duplicate atom serial number found: 21191  
Duplicate atom serial number found: 21192  
Duplicate atom serial number found: 21193  
Duplicate atom serial number found: 21194  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 135579  
ATOM 2119a H2 TIP3W1455 49.602 -32.216 57.224 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 135580  
ATOM 2119b OH2 TIP3W1456 -39.680 -60.331 -7.396 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 135581  
ATOM 2119c H1 TIP3W1456 -38.767 -60.392 -7.678 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 135582  
ATOM 2119d H2 TIP3W1456 -39.642 -60.407 -6.443 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 135583  
ATOM 2119e OH2 TIP3W1457 -57.001 20.074 -32.355 0.00 0.00 WT7  
  
97 messages similar to the above omitted  
Duplicate atom serial number found: 21200  
Duplicate atom serial number found: 21201  
Duplicate atom serial number found: 21202  
Duplicate atom serial number found: 21203  
Duplicate atom serial number found: 21204  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 135691  
ATOM 2120a OH2 TIP3W1495 -32.286 58.002 -60.339 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 135692  
ATOM 2120b H1 TIP3W1495 -31.667 57.890 -59.618 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 135693  
ATOM 2120c H2 TIP3W1495 -32.691 58.854 -60.178 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 135694  
ATOM 2120d OH2 TIP3W1497 -26.988 21.586 27.602 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 135695  
ATOM 2120e H1 TIP3W1497 -26.386 21.918 28.268 0.00 0.00 WT7  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 21210  
Duplicate atom serial number found: 21211  
Duplicate atom serial number found: 21212  
Duplicate atom serial number found: 21213  
Duplicate atom serial number found: 21214  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 135707  
ATOM 2121a H1 TIP3W1502 -47.486 8.868 15.126 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 135708  
ATOM 2121b H2 TIP3W1502 -48.362 9.201 13.937 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 135709  
ATOM 2121c OH2 TIP3W1504 51.067 -16.421 32.844 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 135710  
ATOM 2121d H1 TIP3W1504 51.376 -16.041 33.666 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 135711  
ATOM 2121e H2 TIP3W1504 51.139 -15.710 32.208 0.00 0.00 WT7  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 21220  
Duplicate atom serial number found: 21221  
Duplicate atom serial number found: 21222  
Duplicate atom serial number found: 21223  
Duplicate atom serial number found: 21224  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 135723  
ATOM 2122a H2 TIP3W1509 -12.852 37.813 -15.577 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 135724  
ATOM 2122b OH2 TIP3W1511 46.954 -2.772 36.753 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 135725  
ATOM 2122c H1 TIP3W1511 46.822 -3.010 35.836 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 135726  
ATOM 2122d H2 TIP3W1511 47.356 -1.904 36.721 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 135727  
ATOM 2122e OH2 TIP3W1512 -28.948 59.708 53.090 0.00 0.00 WT7  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 21230  
Duplicate atom serial number found: 21231  
Duplicate atom serial number found: 21232  
Duplicate atom serial number found: 21233  
Duplicate atom serial number found: 21234  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 135739  
ATOM 2123a OH2 TIP3W1516 -20.306 -51.412 -11.583 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 135740  
ATOM 2123b H1 TIP3W1516 -20.553 -50.906 -12.356 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 135741  
ATOM 2123c H2 TIP3W1516 -19.782 -52.135 -11.927 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 135742  
ATOM 2123d OH2 TIP3W1518 -2.690 45.409 45.445 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 135743  
ATOM 2123e H1 TIP3W1518 -2.497 46.219 45.918 0.00 0.00 WT7  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 21240  
Duplicate atom serial number found: 21241  
Duplicate atom serial number found: 21242  
Duplicate atom serial number found: 21243  
Duplicate atom serial number found: 21244  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 135755  
ATOM 2124a H1 TIP3W1523 13.029 -26.962 -22.475 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 135756  
ATOM 2124b H2 TIP3W1523 14.432 -26.575 -22.892 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 135757  
ATOM 2124c OH2 TIP3W1525 34.067 0.330 -49.475 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 135758  
ATOM 2124d H1 TIP3W1525 34.149 0.748 -48.618 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 135759  
ATOM 2124e H2 TIP3W1525 34.859 -0.200 -49.562 0.00 0.00 WT7  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 21250  
Duplicate atom serial number found: 21251  
Duplicate atom serial number found: 21252  
Duplicate atom serial number found: 21253  
Duplicate atom serial number found: 21254  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 135771  
ATOM 2125a H2 TIP3W1529 54.137 -42.210 -28.197 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 135772  
ATOM 2125b OH2 TIP3W1530 53.497 17.430 12.666 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 135773  
ATOM 2125c H1 TIP3W1530 52.886 17.156 11.982 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 135774  
ATOM 2125d H2 TIP3W1530 52.979 17.410 13.471 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 135775  
ATOM 2125e OH2 TIP3W1531 41.798 -18.142 14.242 0.00 0.00 WT7  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 21260  
Duplicate atom serial number found: 21261  
Duplicate atom serial number found: 21262  
Duplicate atom serial number found: 21263  
Duplicate atom serial number found: 21264  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 135787  
ATOM 2126a OH2 TIP3W1536 -34.441 -58.258 -12.431 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 135788  
ATOM 2126b H1 TIP3W1536 -34.890 -57.929 -13.210 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 135789  
ATOM 2126c H2 TIP3W1536 -34.534 -57.557 -11.786 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 135790  
ATOM 2126d OH2 TIP3W1537 49.475 31.916 -35.429 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 135791  
ATOM 2126e H1 TIP3W1537 49.862 32.433 -34.722 0.00 0.00 WT7  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 21270  
Duplicate atom serial number found: 21271  
Duplicate atom serial number found: 21272  
Duplicate atom serial number found: 21273  
Duplicate atom serial number found: 21274  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 135803  
ATOM 2127a H1 TIP3W1543 56.393 15.624 -36.118 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 135804  
ATOM 2127b H2 TIP3W1543 55.503 14.813 -35.199 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 135805  
ATOM 2127c OH2 TIP3W1544 19.976 -6.838 -53.700 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 135806  
ATOM 2127d H1 TIP3W1544 20.847 -6.516 -53.935 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 135807  
ATOM 2127e H2 TIP3W1544 19.523 -6.936 -54.538 0.00 0.00 WT7  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 21280  
Duplicate atom serial number found: 21281  
Duplicate atom serial number found: 21282  
Duplicate atom serial number found: 21283  
Duplicate atom serial number found: 21284  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 135819  
ATOM 2128a H2 TIP3W1549 -21.142 -21.247 61.019 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 135820  
ATOM 2128b OH2 TIP3W1550 47.518 -44.002 -27.172 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 135821  
ATOM 2128c H1 TIP3W1550 47.937 -43.721 -26.358 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 135822  
ATOM 2128d H2 TIP3W1550 47.905 -43.444 -27.847 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 135823  
ATOM 2128e OH2 TIP3W1551 18.147 -53.140 -35.717 0.00 0.00 WT7  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 21290  
Duplicate atom serial number found: 21291  
Duplicate atom serial number found: 21292  
Duplicate atom serial number found: 21293  
Duplicate atom serial number found: 21294  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 135835  
ATOM 2129a OH2 TIP3W1555 41.178 -40.106 6.924 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 135836  
ATOM 2129b H1 TIP3W1555 42.129 -40.024 6.848 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 135837  
ATOM 2129c H2 TIP3W1555 40.981 -39.794 7.807 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 135838  
ATOM 2129d OH2 TIP3W1557 27.817 -4.021 26.544 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 135839  
ATOM 2129e H1 TIP3W1557 28.772 -4.085 26.535 0.00 0.00 WT7  
  
97 messages similar to the above omitted  
Duplicate atom serial number found: 21300  
Duplicate atom serial number found: 21301  
Duplicate atom serial number found: 21302  
Duplicate atom serial number found: 21303  
Duplicate atom serial number found: 21304  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 135947  
ATOM 2130a H1 TIP3W1599 -10.793 0.396 -22.443 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 135948  
ATOM 2130b H2 TIP3W1599 -10.579 1.827 -21.997 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 135949  
ATOM 2130c OH2 TIP3W1600 -33.278 -3.167 -7.829 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 135950  
ATOM 2130d H1 TIP3W1600 -32.526 -3.622 -7.450 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 135951  
ATOM 2130e H2 TIP3W1600 -33.101 -2.239 -7.671 0.00 0.00 WT7  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 21310  
Duplicate atom serial number found: 21311  
Duplicate atom serial number found: 21312  
Duplicate atom serial number found: 21313  
Duplicate atom serial number found: 21314  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 135963  
ATOM 2131a H2 TIP3W1604 54.544 -29.526 -22.900 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 135964  
ATOM 2131b OH2 TIP3W1605 -30.411 59.122 -2.181 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 135965  
ATOM 2131c H1 TIP3W1605 -30.921 58.463 -1.710 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 135966  
ATOM 2131d H2 TIP3W1605 -29.603 58.669 -2.425 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 135967  
ATOM 2131e OH2 TIP3W1608 51.346 -16.746 56.063 0.00 0.00 WT7  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 21320  
Duplicate atom serial number found: 21321  
Duplicate atom serial number found: 21322  
Duplicate atom serial number found: 21323  
Duplicate atom serial number found: 21324  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 135979  
ATOM 2132a OH2 TIP3W1612 33.807 -45.293 31.000 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 135980  
ATOM 2132b H1 TIP3W1612 33.673 -46.240 31.025 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 135981  
ATOM 2132c H2 TIP3W1612 33.840 -45.080 30.067 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 135982  
ATOM 2132d OH2 TIP3W1613 59.323 -52.592 4.471 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 135983  
ATOM 2132e H1 TIP3W1613 60.008 -52.446 3.819 0.00 0.00 WT7  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 21330  
Duplicate atom serial number found: 21331  
Duplicate atom serial number found: 21332  
Duplicate atom serial number found: 21333  
Duplicate atom serial number found: 21334  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 135995  
ATOM 2133a H1 TIP3W1617 5.201 -22.347 51.518 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 135996  
ATOM 2133b H2 TIP3W1617 4.333 -21.113 51.395 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 135997  
ATOM 2133c OH2 TIP3W1618 -14.293 17.157 -59.632 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 135998  
ATOM 2133d H1 TIP3W1618 -14.809 17.803 -60.115 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 135999  
ATOM 2133e H2 TIP3W1618 -13.407 17.518 -59.620 0.00 0.00 WT7  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 21340  
Duplicate atom serial number found: 21341  
Duplicate atom serial number found: 21342  
Duplicate atom serial number found: 21343  
Duplicate atom serial number found: 21344  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 136011  
ATOM 2134a H2 TIP3W1623 24.139 61.314 -20.159 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 136012  
ATOM 2134b OH2 TIP3W1624 25.833 -41.666 -45.634 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 136013  
ATOM 2134c H1 TIP3W1624 26.087 -41.640 -46.556 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 136014  
ATOM 2134d H2 TIP3W1624 24.928 -41.356 -45.625 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 136015  
ATOM 2134e OH2 TIP3W1625 -23.564 58.721 44.426 0.00 0.00 WT7  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 21350  
Duplicate atom serial number found: 21351  
Duplicate atom serial number found: 21352  
Duplicate atom serial number found: 21353  
Duplicate atom serial number found: 21354  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 136027  
ATOM 2135a OH2 TIP3W1631 5.343 -26.798 -27.713 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 136028  
ATOM 2135b H1 TIP3W1631 4.578 -27.309 -27.976 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 136029  
ATOM 2135c H2 TIP3W1631 6.091 -27.349 -27.942 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 136030  
ATOM 2135d OH2 TIP3W1632 -6.340 12.287 -39.435 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 136031  
ATOM 2135e H1 TIP3W1632 -6.704 11.517 -38.999 0.00 0.00 WT7  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 21360  
Duplicate atom serial number found: 21361  
Duplicate atom serial number found: 21362  
Duplicate atom serial number found: 21363  
Duplicate atom serial number found: 21364  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 136043  
ATOM 2136a H1 TIP3W1638 4.721 22.189 53.631 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 136044  
ATOM 2136b H2 TIP3W1638 4.288 23.207 54.664 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 136045  
ATOM 2136c OH2 TIP3W1641 37.434 -7.203 -41.789 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 136046  
ATOM 2136d H1 TIP3W1641 36.603 -7.202 -41.314 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 136047  
ATOM 2136e H2 TIP3W1641 37.375 -6.450 -42.378 0.00 0.00 WT7  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 21370  
Duplicate atom serial number found: 21371  
Duplicate atom serial number found: 21372  
Duplicate atom serial number found: 21373  
Duplicate atom serial number found: 21374  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 136059  
ATOM 2137a H2 TIP3W1646 38.569 26.688 37.080 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 136060  
ATOM 2137b OH2 TIP3W1647 6.908 -6.305 17.886 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 136061  
ATOM 2137c H1 TIP3W1647 7.260 -7.139 17.576 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 136062  
ATOM 2137d H2 TIP3W1647 7.671 -5.730 17.946 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 136063  
ATOM 2137e OH2 TIP3W1651 23.293 -11.400 55.729 0.00 0.00 WT7  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 21380  
Duplicate atom serial number found: 21381  
Duplicate atom serial number found: 21382  
Duplicate atom serial number found: 21383  
Duplicate atom serial number found: 21384  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 136075  
ATOM 2138a OH2 TIP3W1656 41.281 29.100 55.100 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 136076  
ATOM 2138b H1 TIP3W1656 40.843 28.304 54.800 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 136077  
ATOM 2138c H2 TIP3W1656 40.775 29.813 54.711 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 136078  
ATOM 2138d OH2 TIP3W1658 18.669 -47.589 34.867 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 136079  
ATOM 2138e H1 TIP3W1658 19.556 -47.313 35.098 0.00 0.00 WT7  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 21390  
Duplicate atom serial number found: 21391  
Duplicate atom serial number found: 21392  
Duplicate atom serial number found: 21393  
Duplicate atom serial number found: 21394  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 136091  
ATOM 2139a H1 TIP3W1668 -29.216 5.036 20.175 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 136092  
ATOM 2139b H2 TIP3W1668 -27.915 4.829 20.919 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 136093  
ATOM 2139c OH2 TIP3W1670 14.258 -36.266 32.222 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 136094  
ATOM 2139d H1 TIP3W1670 14.242 -37.157 31.874 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 136095  
ATOM 2139e H2 TIP3W1670 15.189 -36.052 32.291 0.00 0.00 WT7  
  
97 messages similar to the above omitted  
Duplicate atom serial number found: 21400  
Duplicate atom serial number found: 21401  
Duplicate atom serial number found: 21402  
Duplicate atom serial number found: 21403  
Duplicate atom serial number found: 21404  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 136203  
ATOM 2140a H2 TIP3W1736 51.966 16.517 -36.974 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 136204  
ATOM 2140b OH2 TIP3W1737 -0.079 19.326 -22.660 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 136205  
ATOM 2140c H1 TIP3W1737 -0.265 19.159 -23.584 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 136206  
ATOM 2140d H2 TIP3W1737 -0.935 19.297 -22.234 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 136207  
ATOM 2140e OH2 TIP3W1740 17.944 4.135 -15.875 0.00 0.00 WT7  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 21410  
Duplicate atom serial number found: 21411  
Duplicate atom serial number found: 21412  
Duplicate atom serial number found: 21413  
Duplicate atom serial number found: 21414  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 136219  
ATOM 2141a OH2 TIP3W1746 -37.225 30.102 40.616 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 136220  
ATOM 2141b H1 TIP3W1746 -37.013 29.977 39.691 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 136221  
ATOM 2141c H2 TIP3W1746 -36.383 30.288 41.032 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 136222  
ATOM 2141d OH2 TIP3W1749 17.222 26.864 13.186 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 136223  
ATOM 2141e H1 TIP3W1749 17.612 25.998 13.303 0.00 0.00 WT7  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 21420  
Duplicate atom serial number found: 21421  
Duplicate atom serial number found: 21422  
Duplicate atom serial number found: 21423  
Duplicate atom serial number found: 21424  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 136235  
ATOM 2142a H1 TIP3W1753 -54.377 -0.084 35.493 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 136236  
ATOM 2142b H2 TIP3W1753 -54.114 -1.459 36.071 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 136237  
ATOM 2142c OH2 TIP3W1755 -0.330 53.323 -38.858 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 136238  
ATOM 2142d H1 TIP3W1755 0.120 53.463 -38.025 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 136239  
ATOM 2142e H2 TIP3W1755 -1.128 53.849 -38.790 0.00 0.00 WT7  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 21430  
Duplicate atom serial number found: 21431  
Duplicate atom serial number found: 21432  
Duplicate atom serial number found: 21433  
Duplicate atom serial number found: 21434  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 136251  
ATOM 2143a H2 TIP3W1762 -31.914 46.853 -16.686 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 136252  
ATOM 2143b OH2 TIP3W1764 52.999 51.331 -42.584 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 136253  
ATOM 2143c H1 TIP3W1764 53.534 51.711 -41.888 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 136254  
ATOM 2143d H2 TIP3W1764 53.315 50.431 -42.666 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 136255  
ATOM 2143e OH2 TIP3W1766 -17.780 8.448 38.100 0.00 0.00 WT7  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 21440  
Duplicate atom serial number found: 21441  
Duplicate atom serial number found: 21442  
Duplicate atom serial number found: 21443  
Duplicate atom serial number found: 21444  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 136267  
ATOM 2144a OH2 TIP3W1775 14.128 -20.530 36.100 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 136268  
ATOM 2144b H1 TIP3W1775 13.621 -21.072 35.495 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 136269  
ATOM 2144c H2 TIP3W1775 14.336 -19.741 35.600 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 136270  
ATOM 2144d OH2 TIP3W1776 51.973 12.633 -52.878 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 136271  
ATOM 2144e H1 TIP3W1776 51.970 12.778 -53.824 0.00 0.00 WT7  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 21450  
Duplicate atom serial number found: 21451  
Duplicate atom serial number found: 21452  
Duplicate atom serial number found: 21453  
Duplicate atom serial number found: 21454  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 136283  
ATOM 2145a H1 TIP3W1788 -38.466 -36.509 -58.409 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 136284  
ATOM 2145b H2 TIP3W1788 -38.243 -36.360 -59.899 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 136285  
ATOM 2145c OH2 TIP3W1789 14.470 23.755 33.746 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 136286  
ATOM 2145d H1 TIP3W1789 14.469 24.282 34.545 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 136287  
ATOM 2145e H2 TIP3W1789 14.708 24.370 33.053 0.00 0.00 WT7  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 21460  
Duplicate atom serial number found: 21461  
Duplicate atom serial number found: 21462  
Duplicate atom serial number found: 21463  
Duplicate atom serial number found: 21464  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 136299  
ATOM 2146a H2 TIP3W1796 30.914 20.818 -55.078 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 136300  
ATOM 2146b OH2 TIP3W1798 36.867 34.913 15.475 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 136301  
ATOM 2146c H1 TIP3W1798 37.570 34.470 15.001 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 136302  
ATOM 2146d H2 TIP3W1798 36.272 34.210 15.736 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 136303  
ATOM 2146e OH2 TIP3W1800 48.941 40.830 -34.115 0.00 0.00 WT7  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 21470  
Duplicate atom serial number found: 21471  
Duplicate atom serial number found: 21472  
Duplicate atom serial number found: 21473  
Duplicate atom serial number found: 21474  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 136315  
ATOM 2147a OH2 TIP3W1810 59.147 42.245 -33.496 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 136316  
ATOM 2147b H1 TIP3W1810 59.793 41.540 -33.533 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 136317  
ATOM 2147c H2 TIP3W1810 59.495 42.921 -34.078 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 136318  
ATOM 2147d OH2 TIP3W1811 1.601 -30.583 15.317 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 136319  
ATOM 2147e H1 TIP3W1811 1.367 -30.818 14.418 0.00 0.00 WT7  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 21480  
Duplicate atom serial number found: 21481  
Duplicate atom serial number found: 21482  
Duplicate atom serial number found: 21483  
Duplicate atom serial number found: 21484  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 136331  
ATOM 2148a H1 TIP3W1815 -43.887 18.889 29.152 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 136332  
ATOM 2148b H2 TIP3W1815 -45.234 19.251 28.563 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 136333  
ATOM 2148c OH2 TIP3W1816 52.810 29.654 16.636 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 136334  
ATOM 2148d H1 TIP3W1816 53.598 30.173 16.477 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 136335  
ATOM 2148e H2 TIP3W1816 53.119 28.748 16.656 0.00 0.00 WT7  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 21490  
Duplicate atom serial number found: 21491  
Duplicate atom serial number found: 21492  
Duplicate atom serial number found: 21493  
Duplicate atom serial number found: 21494  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 136347  
ATOM 2149a H2 TIP3W1820 -12.838 41.558 -33.749 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 136348  
ATOM 2149b OH2 TIP3W1821 19.683 19.131 -38.650 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 136349  
ATOM 2149c H1 TIP3W1821 18.764 19.062 -38.907 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 136350  
ATOM 2149d H2 TIP3W1821 20.111 18.398 -39.094 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 136351  
ATOM 2149e OH2 TIP3W1824 -22.326 5.887 31.405 0.00 0.00 WT7  
  
97 messages similar to the above omitted  
Duplicate atom serial number found: 21500  
Duplicate atom serial number found: 21501  
Duplicate atom serial number found: 21502  
Duplicate atom serial number found: 21503  
Duplicate atom serial number found: 21504  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 136459  
ATOM 2150a OH2 TIP3W1871 6.495 -6.612 41.460 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 136460  
ATOM 2150b H1 TIP3W1871 6.363 -6.463 42.396 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 136461  
ATOM 2150c H2 TIP3W1871 7.421 -6.838 41.381 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 136462  
ATOM 2150d OH2 TIP3W1872 -49.712 34.198 17.668 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 136463  
ATOM 2150e H1 TIP3W1872 -49.828 35.028 17.207 0.00 0.00 WT7  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 21510  
Duplicate atom serial number found: 21511  
Duplicate atom serial number found: 21512  
Duplicate atom serial number found: 21513  
Duplicate atom serial number found: 21514  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 136475  
ATOM 2151a H1 TIP3W1876 54.080 18.912 -59.424 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 136476  
ATOM 2151b H2 TIP3W1876 52.964 18.464 -60.344 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 136477  
ATOM 2151c OH2 TIP3W1877 51.298 1.612 -16.108 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 136478  
ATOM 2151d H1 TIP3W1877 51.993 2.214 -15.843 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 136479  
ATOM 2151e H2 TIP3W1877 50.550 1.853 -15.561 0.00 0.00 WT7  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 21520  
Duplicate atom serial number found: 21521  
Duplicate atom serial number found: 21522  
Duplicate atom serial number found: 21523  
Duplicate atom serial number found: 21524  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 136491  
ATOM 2152a H2 TIP3W1881 53.098 51.742 -21.413 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 136492  
ATOM 2152b OH2 TIP3W1882 -57.474 -20.366 53.429 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 136493  
ATOM 2152c H1 TIP3W1882 -57.080 -19.607 53.859 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 136494  
ATOM 2152d H2 TIP3W1882 -56.868 -21.085 53.609 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 136495  
ATOM 2152e OH2 TIP3W1883 38.003 1.218 46.798 0.00 0.00 WT7  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 21530  
Duplicate atom serial number found: 21531  
Duplicate atom serial number found: 21532  
Duplicate atom serial number found: 21533  
Duplicate atom serial number found: 21534  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 136507  
ATOM 2153a OH2 TIP3W1887 13.821 -6.286 -20.760 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 136508  
ATOM 2153b H1 TIP3W1887 14.576 -6.869 -20.836 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 136509  
ATOM 2153c H2 TIP3W1887 13.200 -6.767 -20.214 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 136510  
ATOM 2153d OH2 TIP3W1888 -44.473 55.176 -5.383 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 136511  
ATOM 2153e H1 TIP3W1888 -45.283 55.276 -5.883 0.00 0.00 WT7  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 21540  
Duplicate atom serial number found: 21541  
Duplicate atom serial number found: 21542  
Duplicate atom serial number found: 21543  
Duplicate atom serial number found: 21544  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 136523  
ATOM 2154a H1 TIP3W1893 33.010 -56.192 -40.755 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 136524  
ATOM 2154b H2 TIP3W1893 34.066 -55.243 -41.280 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 136525  
ATOM 2154c OH2 TIP3W1894 -23.128 50.928 10.461 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 136526  
ATOM 2154d H1 TIP3W1894 -22.351 51.397 10.764 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 136527  
ATOM 2154e H2 TIP3W1894 -23.165 51.108 9.521 0.00 0.00 WT7  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 21550  
Duplicate atom serial number found: 21551  
Duplicate atom serial number found: 21552  
Duplicate atom serial number found: 21553  
Duplicate atom serial number found: 21554  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 136539  
ATOM 2155a H2 TIP3W1898 -57.516 -59.937 -5.436 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 136540  
ATOM 2155b OH2 TIP3W1899 46.591 28.747 -46.342 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 136541  
ATOM 2155c H1 TIP3W1899 47.395 29.188 -46.069 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 136542  
ATOM 2155d H2 TIP3W1899 46.859 28.186 -47.069 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 136543  
ATOM 2155e OH2 TIP3W1900 -44.462 -3.885 -16.562 0.00 0.00 WT7  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 21560  
Duplicate atom serial number found: 21561  
Duplicate atom serial number found: 21562  
Duplicate atom serial number found: 21563  
Duplicate atom serial number found: 21564  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 136555  
ATOM 2156a OH2 TIP3W1905 7.084 34.477 26.162 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 136556  
ATOM 2156b H1 TIP3W1905 6.680 33.927 26.833 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 136557  
ATOM 2156c H2 TIP3W1905 6.574 34.305 25.371 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 136558  
ATOM 2156d OH2 TIP3W1906 52.185 12.285 22.349 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 136559  
ATOM 2156e H1 TIP3W1906 52.807 11.736 22.826 0.00 0.00 WT7  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 21570  
Duplicate atom serial number found: 21571  
Duplicate atom serial number found: 21572  
Duplicate atom serial number found: 21573  
Duplicate atom serial number found: 21574  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 136571  
ATOM 2157a H1 TIP3W1912 -38.901 -27.501 -44.808 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 136572  
ATOM 2157b H2 TIP3W1912 -37.885 -26.690 -45.583 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 136573  
ATOM 2157c OH2 TIP3W1913 29.094 -46.749 55.900 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 136574  
ATOM 2157d H1 TIP3W1913 29.480 -46.419 55.089 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 136575  
ATOM 2157e H2 TIP3W1913 28.795 -47.631 55.682 0.00 0.00 WT7  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 21580  
Duplicate atom serial number found: 21581  
Duplicate atom serial number found: 21582  
Duplicate atom serial number found: 21583  
Duplicate atom serial number found: 21584  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 136587  
ATOM 2158a H2 TIP3W1919 -2.412 37.585 53.318 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 136588  
ATOM 2158b OH2 TIP3W1920 -27.267 -40.092 -44.935 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 136589  
ATOM 2158c H1 TIP3W1920 -26.971 -40.994 -44.813 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 136590  
ATOM 2158d H2 TIP3W1920 -26.984 -39.637 -44.142 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 136591  
ATOM 2158e OH2 TIP3W1921 -30.246 -43.887 -61.346 0.00 0.00 WT7  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 21590  
Duplicate atom serial number found: 21591  
Duplicate atom serial number found: 21592  
Duplicate atom serial number found: 21593  
Duplicate atom serial number found: 21594  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 136603  
ATOM 2159a OH2 TIP3W1925 -14.183 14.757 -1.314 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 136604  
ATOM 2159b H1 TIP3W1925 -13.958 15.504 -1.870 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 136605  
ATOM 2159c H2 TIP3W1925 -15.003 14.425 -1.680 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 136606  
ATOM 2159d OH2 TIP3W1926 43.148 14.411 11.493 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 136607  
ATOM 2159e H1 TIP3W1926 42.937 15.065 12.158 0.00 0.00 WT7  
  
97 messages similar to the above omitted  
Duplicate atom serial number found: 21600  
Duplicate atom serial number found: 21601  
Duplicate atom serial number found: 21602  
Duplicate atom serial number found: 21603  
Duplicate atom serial number found: 21604  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 136715  
ATOM 2160a H1 TIP3W1968 -27.238 8.705 -6.998 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 136716  
ATOM 2160b H2 TIP3W1968 -26.944 7.564 -7.948 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 136717  
ATOM 2160c OH2 TIP3W1969 21.003 7.149 -42.991 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 136718  
ATOM 2160d H1 TIP3W1969 21.336 6.329 -43.355 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 136719  
ATOM 2160e H2 TIP3W1969 21.738 7.759 -43.063 0.00 0.00 WT7  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 21610  
Duplicate atom serial number found: 21611  
Duplicate atom serial number found: 21612  
Duplicate atom serial number found: 21613  
Duplicate atom serial number found: 21614  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 136731  
ATOM 2161a H2 TIP3W1973 3.980 25.722 -60.555 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 136732  
ATOM 2161b OH2 TIP3W1974 42.693 -53.357 17.204 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 136733  
ATOM 2161c H1 TIP3W1974 43.430 -53.088 17.753 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 136734  
ATOM 2161d H2 TIP3W1974 41.942 -52.882 17.560 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 136735  
ATOM 2161e OH2 TIP3W1975 32.358 9.901 43.650 0.00 0.00 WT7  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 21620  
Duplicate atom serial number found: 21621  
Duplicate atom serial number found: 21622  
Duplicate atom serial number found: 21623  
Duplicate atom serial number found: 21624  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 136747  
ATOM 2162a OH2 TIP3W1979 -55.416 47.208 -51.289 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 136748  
ATOM 2162b H1 TIP3W1979 -55.767 47.982 -50.848 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 136749  
ATOM 2162c H2 TIP3W1979 -55.353 47.464 -52.209 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 136750  
ATOM 2162d OH2 TIP3W1980 -13.622 15.423 -47.929 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 136751  
ATOM 2162e H1 TIP3W1980 -14.305 15.975 -48.310 0.00 0.00 WT7  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 21630  
Duplicate atom serial number found: 21631  
Duplicate atom serial number found: 21632  
Duplicate atom serial number found: 21633  
Duplicate atom serial number found: 21634  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 136763  
ATOM 2163a H1 TIP3W1985 6.773 49.949 53.819 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 136764  
ATOM 2163b H2 TIP3W1985 8.102 50.302 54.453 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 136765  
ATOM 2163c OH2 TIP3W1986 -3.668 49.974 21.490 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 136766  
ATOM 2163d H1 TIP3W1986 -3.590 49.543 20.639 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 136767  
ATOM 2163e H2 TIP3W1986 -2.805 50.360 21.644 0.00 0.00 WT7  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 21640  
Duplicate atom serial number found: 21641  
Duplicate atom serial number found: 21642  
Duplicate atom serial number found: 21643  
Duplicate atom serial number found: 21644  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 136779  
ATOM 2164a H2 TIP3W1990 24.442 -6.438 -27.587 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 136780  
ATOM 2164b OH2 TIP3W1991 -32.667 -6.896 -57.736 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 136781  
ATOM 2164c H1 TIP3W1991 -31.865 -7.370 -57.954 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 136782  
ATOM 2164d H2 TIP3W1991 -33.258 -7.569 -57.395 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 136783  
ATOM 2164e OH2 TIP3W1992 29.695 -17.609 -16.809 0.00 0.00 WT7  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 21650  
Duplicate atom serial number found: 21651  
Duplicate atom serial number found: 21652  
Duplicate atom serial number found: 21653  
Duplicate atom serial number found: 21654  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 136795  
ATOM 2165a OH2 TIP3W1997 23.155 -26.650 -54.388 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 136796  
ATOM 2165b H1 TIP3W1997 23.717 -27.050 -53.725 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 136797  
ATOM 2165c H2 TIP3W1997 23.224 -27.232 -55.145 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 136798  
ATOM 2165d OH2 TIP3W1998 15.474 54.814 36.591 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 136799  
ATOM 2165e H1 TIP3W1998 16.080 54.683 35.862 0.00 0.00 WT7  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 21660  
Duplicate atom serial number found: 21661  
Duplicate atom serial number found: 21662  
Duplicate atom serial number found: 21663  
Duplicate atom serial number found: 21664  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 136811  
ATOM 2166a H1 TIP3W2002 33.015 -50.901 -55.963 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 136812  
ATOM 2166b H2 TIP3W2002 33.515 -50.071 -57.126 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 136813  
ATOM 2166c OH2 TIP3W2003 -4.099 -42.657 18.659 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 136814  
ATOM 2166d H1 TIP3W2003 -4.394 -41.748 18.705 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 136815  
ATOM 2166e H2 TIP3W2003 -3.163 -42.596 18.470 0.00 0.00 WT7  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 21670  
Duplicate atom serial number found: 21671  
Duplicate atom serial number found: 21672  
Duplicate atom serial number found: 21673  
Duplicate atom serial number found: 21674  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 136827  
ATOM 2167a H2 TIP3W2008 8.664 -59.159 32.266 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 136828  
ATOM 2167b OH2 TIP3W2010 -3.422 -18.151 -14.265 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 136829  
ATOM 2167c H1 TIP3W2010 -2.864 -17.914 -15.005 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 136830  
ATOM 2167d H2 TIP3W2010 -3.607 -17.320 -13.827 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 136831  
ATOM 2167e OH2 TIP3W2011 9.857 34.997 12.032 0.00 0.00 WT7  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 21680  
Duplicate atom serial number found: 21681  
Duplicate atom serial number found: 21682  
Duplicate atom serial number found: 21683  
Duplicate atom serial number found: 21684  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 136843  
ATOM 2168a OH2 TIP3W2016 36.522 -20.924 -7.391 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 136844  
ATOM 2168b H1 TIP3W2016 35.898 -21.028 -8.110 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 136845  
ATOM 2168c H2 TIP3W2016 36.988 -20.113 -7.594 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 136846  
ATOM 2168d OH2 TIP3W2017 -54.732 -32.228 -33.580 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 136847  
ATOM 2168e H1 TIP3W2017 -55.326 -31.569 -33.220 0.00 0.00 WT7  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 21690  
Duplicate atom serial number found: 21691  
Duplicate atom serial number found: 21692  
Duplicate atom serial number found: 21693  
Duplicate atom serial number found: 21694  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 136859  
ATOM 2169a H1 TIP3W2021 -7.645 21.607 39.232 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 136860  
ATOM 2169b H2 TIP3W2021 -7.638 20.506 40.271 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 136861  
ATOM 2169c OH2 TIP3W2022 -21.272 54.610 49.230 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 136862  
ATOM 2169d H1 TIP3W2022 -21.916 53.910 49.338 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 136863  
ATOM 2169e H2 TIP3W2022 -20.569 54.385 49.840 0.00 0.00 WT7  
  
97 messages similar to the above omitted  
Duplicate atom serial number found: 21700  
Duplicate atom serial number found: 21701  
Duplicate atom serial number found: 21702  
Duplicate atom serial number found: 21703  
Duplicate atom serial number found: 21704  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 136971  
ATOM 2170a H2 TIP3W2062 -31.301 -30.273 54.082 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 136972  
ATOM 2170b OH2 TIP3W2063 -10.177 43.593 55.727 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 136973  
ATOM 2170c H1 TIP3W2063 -10.055 44.526 55.900 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 136974  
ATOM 2170d H2 TIP3W2063 -9.309 43.210 55.854 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 136975  
ATOM 2170e OH2 TIP3W2065 -14.309 51.946 20.237 0.00 0.00 WT7  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 21710  
Duplicate atom serial number found: 21711  
Duplicate atom serial number found: 21712  
Duplicate atom serial number found: 21713  
Duplicate atom serial number found: 21714  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 136987  
ATOM 2171a OH2 TIP3W2069 -1.557 25.108 57.342 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 136988  
ATOM 2171b H1 TIP3W2069 -0.968 25.657 56.825 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 136989  
ATOM 2171c H2 TIP3W2069 -0.994 24.713 58.007 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 136990  
ATOM 2171d OH2 TIP3W2070 25.452 -18.037 49.888 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 136991  
ATOM 2171e H1 TIP3W2070 25.909 -18.856 49.701 0.00 0.00 WT7  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 21720  
Duplicate atom serial number found: 21721  
Duplicate atom serial number found: 21722  
Duplicate atom serial number found: 21723  
Duplicate atom serial number found: 21724  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 137003  
ATOM 2172a H1 TIP3W2074 -15.088 -33.753 46.460 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 137004  
ATOM 2172b H2 TIP3W2074 -13.935 -34.342 47.245 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 137005  
ATOM 2172c OH2 TIP3W2075 21.633 8.104 -59.493 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 137006  
ATOM 2172d H1 TIP3W2075 21.557 7.779 -60.390 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 137007  
ATOM 2172e H2 TIP3W2075 22.257 7.511 -59.074 0.00 0.00 WT7  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 21730  
Duplicate atom serial number found: 21731  
Duplicate atom serial number found: 21732  
Duplicate atom serial number found: 21733  
Duplicate atom serial number found: 21734  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 137019  
ATOM 2173a H2 TIP3W2080 -32.397 38.709 1.430 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 137020  
ATOM 2173b OH2 TIP3W2081 -28.940 0.101 58.286 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 137021  
ATOM 2173c H1 TIP3W2081 -28.864 0.522 59.142 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 137022  
ATOM 2173d H2 TIP3W2081 -28.082 0.227 57.879 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 137023  
ATOM 2173e OH2 TIP3W2082 18.272 12.174 11.131 0.00 0.00 WT7  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 21740  
Duplicate atom serial number found: 21741  
Duplicate atom serial number found: 21742  
Duplicate atom serial number found: 21743  
Duplicate atom serial number found: 21744  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 137035  
ATOM 2174a OH2 TIP3W2086 42.867 -7.225 23.098 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 137036  
ATOM 2174b H1 TIP3W2086 43.319 -8.038 23.324 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 137037  
ATOM 2174c H2 TIP3W2086 42.181 -7.140 23.761 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 137038  
ATOM 2174d OH2 TIP3W2088 -18.308 26.821 -24.098 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 137039  
ATOM 2174e H1 TIP3W2088 -17.998 26.920 -23.198 0.00 0.00 WT7  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 21750  
Duplicate atom serial number found: 21751  
Duplicate atom serial number found: 21752  
Duplicate atom serial number found: 21753  
Duplicate atom serial number found: 21754  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 137051  
ATOM 2175a H1 TIP3W2092 -13.088 -31.094 -27.676 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 137052  
ATOM 2175b H2 TIP3W2092 -13.464 -32.289 -28.527 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 137053  
ATOM 2175c OH2 TIP3W2093 -27.075 27.763 2.089 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 137054  
ATOM 2175d H1 TIP3W2093 -27.426 26.893 1.902 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 137055  
ATOM 2175e H2 TIP3W2093 -26.234 27.597 2.514 0.00 0.00 WT7  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 21760  
Duplicate atom serial number found: 21761  
Duplicate atom serial number found: 21762  
Duplicate atom serial number found: 21763  
Duplicate atom serial number found: 21764  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 137067  
ATOM 2176a H2 TIP3W2097 -14.527 -45.809 8.105 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 137068  
ATOM 2176b OH2 TIP3W2098 -8.583 55.245 -25.188 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 137069  
ATOM 2176c H1 TIP3W2098 -8.058 54.626 -24.682 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 137070  
ATOM 2176d H2 TIP3W2098 -8.830 54.762 -25.977 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 137071  
ATOM 2176e OH2 TIP3W2100 21.874 25.973 4.387 0.00 0.00 WT7  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 21770  
Duplicate atom serial number found: 21771  
Duplicate atom serial number found: 21772  
Duplicate atom serial number found: 21773  
Duplicate atom serial number found: 21774  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 137083  
ATOM 2177a OH2 TIP3W2105 -41.692 17.489 0.037 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 137084  
ATOM 2177b H1 TIP3W2105 -42.457 17.362 -0.524 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 137085  
ATOM 2177c H2 TIP3W2105 -41.413 16.603 0.267 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 137086  
ATOM 2177d OH2 TIP3W2106 39.737 61.045 -42.947 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 137087  
ATOM 2177e H1 TIP3W2106 39.593 60.289 -43.517 0.00 0.00 WT7  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 21780  
Duplicate atom serial number found: 21781  
Duplicate atom serial number found: 21782  
Duplicate atom serial number found: 21783  
Duplicate atom serial number found: 21784  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 137099  
ATOM 2178a H1 TIP3W2113 -10.618 -10.827 47.530 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 137100  
ATOM 2178b H2 TIP3W2113 -9.268 -10.173 47.325 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 137101  
ATOM 2178c OH2 TIP3W2114 44.097 -3.667 16.863 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 137102  
ATOM 2178d H1 TIP3W2114 44.112 -4.097 17.718 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 137103  
ATOM 2178e H2 TIP3W2114 43.244 -3.895 16.494 0.00 0.00 WT7  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 21790  
Duplicate atom serial number found: 21791  
Duplicate atom serial number found: 21792  
Duplicate atom serial number found: 21793  
Duplicate atom serial number found: 21794  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 137115  
ATOM 2179a H2 TIP3W2119 -30.729 -46.503 15.965 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 137116  
ATOM 2179b OH2 TIP3W2123 -6.694 22.492 -3.476 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 137117  
ATOM 2179c H1 TIP3W2123 -7.058 23.368 -3.349 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 137118  
ATOM 2179d H2 TIP3W2123 -7.410 21.988 -3.863 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 137119  
ATOM 2179e OH2 TIP3W2124 -50.346 -16.246 7.804 0.00 0.00 WT7  
  
97 messages similar to the above omitted  
Duplicate atom serial number found: 21800  
Duplicate atom serial number found: 21801  
Duplicate atom serial number found: 21802  
Duplicate atom serial number found: 21803  
Duplicate atom serial number found: 21804  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 137227  
ATOM 2180a OH2 TIP3W2187 -17.591 -6.551 10.257 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 137228  
ATOM 2180b H1 TIP3W2187 -17.542 -6.216 11.153 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 137229  
ATOM 2180c H2 TIP3W2187 -16.687 -6.778 10.037 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 137230  
ATOM 2180d OH2 TIP3W2188 1.021 39.908 -12.582 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 137231  
ATOM 2180e H1 TIP3W2188 0.075 39.982 -12.453 0.00 0.00 WT7  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 21810  
Duplicate atom serial number found: 21811  
Duplicate atom serial number found: 21812  
Duplicate atom serial number found: 21813  
Duplicate atom serial number found: 21814  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 137243  
ATOM 2181a H1 TIP3W2198 40.336 53.899 -31.410 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 137244  
ATOM 2181b H2 TIP3W2198 40.132 54.872 -30.267 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 137245  
ATOM 2181c OH2 TIP3W2200 40.753 -9.619 -34.659 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 137246  
ATOM 2181d H1 TIP3W2200 41.026 -9.092 -35.410 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 137247  
ATOM 2181e H2 TIP3W2200 39.835 -9.825 -34.831 0.00 0.00 WT7  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 21820  
Duplicate atom serial number found: 21821  
Duplicate atom serial number found: 21822  
Duplicate atom serial number found: 21823  
Duplicate atom serial number found: 21824  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 137259  
ATOM 2182a H2 TIP3W2208 20.372 -22.576 46.574 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 137260  
ATOM 2182b OH2 TIP3W2211 -54.714 -33.538 -38.181 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 137261  
ATOM 2182c H1 TIP3W2211 -54.239 -33.243 -37.405 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 137262  
ATOM 2182d H2 TIP3W2211 -55.620 -33.631 -37.887 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 137263  
ATOM 2182e OH2 TIP3W2212 24.391 -17.541 23.800 0.00 0.00 WT7  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 21830  
Duplicate atom serial number found: 21831  
Duplicate atom serial number found: 21832  
Duplicate atom serial number found: 21833  
Duplicate atom serial number found: 21834  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 137275  
ATOM 2183a OH2 TIP3W2219 29.864 4.130 13.528 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 137276  
ATOM 2183b H1 TIP3W2219 29.044 4.587 13.714 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 137277  
ATOM 2183c H2 TIP3W2219 30.410 4.294 14.297 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 137278  
ATOM 2183d OH2 TIP3W2220 25.233 56.558 18.546 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 137279  
ATOM 2183e H1 TIP3W2220 25.708 55.776 18.828 0.00 0.00 WT7  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 21840  
Duplicate atom serial number found: 21841  
Duplicate atom serial number found: 21842  
Duplicate atom serial number found: 21843  
Duplicate atom serial number found: 21844  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 137291  
ATOM 2184a H1 TIP3W2229 20.228 11.915 -1.279 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 137292  
ATOM 2184b H2 TIP3W2229 21.056 12.167 -2.521 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 137293  
ATOM 2184c OH2 TIP3W2231 55.459 37.945 -33.478 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 137294  
ATOM 2184d H1 TIP3W2231 54.623 38.251 -33.830 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 137295  
ATOM 2184e H2 TIP3W2231 55.378 36.991 -33.462 0.00 0.00 WT7  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 21850  
Duplicate atom serial number found: 21851  
Duplicate atom serial number found: 21852  
Duplicate atom serial number found: 21853  
Duplicate atom serial number found: 21854  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 137307  
ATOM 2185a H2 TIP3W2235 -21.264 -33.864 -36.120 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 137308  
ATOM 2185b OH2 TIP3W2236 -3.802 22.552 -7.288 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 137309  
ATOM 2185c H1 TIP3W2236 -4.476 23.231 -7.316 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 137310  
ATOM 2185d H2 TIP3W2236 -3.180 22.858 -6.628 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 137311  
ATOM 2185e OH2 TIP3W2237 29.776 30.453 -9.183 0.00 0.00 WT7  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 21860  
Duplicate atom serial number found: 21861  
Duplicate atom serial number found: 21862  
Duplicate atom serial number found: 21863  
Duplicate atom serial number found: 21864  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 137323  
ATOM 2186a OH2 TIP3W2241 9.351 54.043 -43.989 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 137324  
ATOM 2186b H1 TIP3W2241 8.411 54.172 -44.115 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 137325  
ATOM 2186c H2 TIP3W2241 9.416 53.244 -43.467 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 137326  
ATOM 2186d OH2 TIP3W2242 11.684 53.932 -7.744 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 137327  
ATOM 2186e H1 TIP3W2242 11.273 53.620 -6.938 0.00 0.00 WT7  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 21870  
Duplicate atom serial number found: 21871  
Duplicate atom serial number found: 21872  
Duplicate atom serial number found: 21873  
Duplicate atom serial number found: 21874  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 137339  
ATOM 2187a H1 TIP3W2246 48.767 33.680 -40.290 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 137340  
ATOM 2187b H2 TIP3W2246 49.404 33.982 -41.629 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 137341  
ATOM 2187c OH2 TIP3W2247 3.353 44.802 -49.822 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 137342  
ATOM 2187d H1 TIP3W2247 2.450 44.656 -49.540 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 137343  
ATOM 2187e H2 TIP3W2247 3.457 45.753 -49.811 0.00 0.00 WT7  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 21880  
Duplicate atom serial number found: 21881  
Duplicate atom serial number found: 21882  
Duplicate atom serial number found: 21883  
Duplicate atom serial number found: 21884  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 137355  
ATOM 2188a H2 TIP3W2256 -7.177 37.053 -37.408 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 137356  
ATOM 2188b OH2 TIP3W2257 -39.027 -4.240 -53.798 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 137357  
ATOM 2188c H1 TIP3W2257 -38.527 -4.790 -53.195 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 137358  
ATOM 2188d H2 TIP3W2257 -39.214 -4.810 -54.545 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 137359  
ATOM 2188e OH2 TIP3W2258 -45.532 -20.342 23.065 0.00 0.00 WT7  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 21890  
Duplicate atom serial number found: 21891  
Duplicate atom serial number found: 21892  
Duplicate atom serial number found: 21893  
Duplicate atom serial number found: 21894  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 137371  
ATOM 2189a OH2 TIP3W2263 45.602 -38.364 9.733 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 137372  
ATOM 2189b H1 TIP3W2263 46.366 -38.742 9.298 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 137373  
ATOM 2189c H2 TIP3W2263 45.967 -37.812 10.425 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 137374  
ATOM 2189d OH2 TIP3W2264 -32.497 -29.791 36.522 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 137375  
ATOM 2189e H1 TIP3W2264 -31.812 -29.149 36.338 0.00 0.00 WT7  
  
97 messages similar to the above omitted  
Duplicate atom serial number found: 21900  
Duplicate atom serial number found: 21901  
Duplicate atom serial number found: 21902  
Duplicate atom serial number found: 21903  
Duplicate atom serial number found: 21904  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 137483  
ATOM 2190a H1 TIP3W2304 54.039 -51.108 -55.279 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 137484  
ATOM 2190b H2 TIP3W2304 53.963 -49.786 -54.545 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 137485  
ATOM 2190c OH2 TIP3W2305 -54.598 35.383 3.934 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 137486  
ATOM 2190d H1 TIP3W2305 -55.078 35.491 3.113 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 137487  
ATOM 2190e H2 TIP3W2305 -55.069 34.691 4.398 0.00 0.00 WT7  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 21910  
Duplicate atom serial number found: 21911  
Duplicate atom serial number found: 21912  
Duplicate atom serial number found: 21913  
Duplicate atom serial number found: 21914  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 137499  
ATOM 2191a H2 TIP3W2309 52.511 -55.949 -48.138 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 137500  
ATOM 2191b OH2 TIP3W2311 -49.498 26.896 19.452 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 137501  
ATOM 2191c H1 TIP3W2311 -49.088 26.768 20.307 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 137502  
ATOM 2191d H2 TIP3W2311 -48.774 26.845 18.828 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 137503  
ATOM 2191e OH2 TIP3W2313 34.041 22.147 -23.442 0.00 0.00 WT7  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 21920  
Duplicate atom serial number found: 21921  
Duplicate atom serial number found: 21922  
Duplicate atom serial number found: 21923  
Duplicate atom serial number found: 21924  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 137515  
ATOM 2192a OH2 TIP3W2318 -32.127 -34.619 58.587 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 137516  
ATOM 2192b H1 TIP3W2318 -31.728 -34.465 57.731 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 137517  
ATOM 2192c H2 TIP3W2318 -32.530 -35.484 58.512 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 137518  
ATOM 2192d OH2 TIP3W2319 -8.556 -5.488 39.998 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 137519  
ATOM 2192e H1 TIP3W2319 -9.383 -5.970 39.992 0.00 0.00 WT7  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 21930  
Duplicate atom serial number found: 21931  
Duplicate atom serial number found: 21932  
Duplicate atom serial number found: 21933  
Duplicate atom serial number found: 21934  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 137531  
ATOM 2193a H1 TIP3W2323 53.063 30.633 -31.425 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 137532  
ATOM 2193b H2 TIP3W2323 52.066 31.536 -30.731 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 137533  
ATOM 2193c OH2 TIP3W2324 48.080 18.325 25.059 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 137534  
ATOM 2193d H1 TIP3W2324 47.640 17.555 24.698 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 137535  
ATOM 2193e H2 TIP3W2324 47.463 18.675 25.701 0.00 0.00 WT7  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 21940  
Duplicate atom serial number found: 21941  
Duplicate atom serial number found: 21942  
Duplicate atom serial number found: 21943  
Duplicate atom serial number found: 21944  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 137547  
ATOM 2194a H2 TIP3W2329 -32.048 0.877 15.140 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 137548  
ATOM 2194b OH2 TIP3W2330 -13.117 31.839 14.134 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 137549  
ATOM 2194c H1 TIP3W2330 -12.434 31.414 14.652 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 137550  
ATOM 2194d H2 TIP3W2330 -13.282 31.233 13.411 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 137551  
ATOM 2194e OH2 TIP3W2331 -10.365 1.598 -56.104 0.00 0.00 WT7  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 21950  
Duplicate atom serial number found: 21951  
Duplicate atom serial number found: 21952  
Duplicate atom serial number found: 21953  
Duplicate atom serial number found: 21954  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 137563  
ATOM 2195a OH2 TIP3W2336 13.375 -37.216 -17.109 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 137564  
ATOM 2195b H1 TIP3W2336 12.567 -37.149 -16.600 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 137565  
ATOM 2195c H2 TIP3W2336 13.103 -37.601 -17.942 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 137566  
ATOM 2195d OH2 TIP3W2338 23.810 6.973 -8.650 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 137567  
ATOM 2195e H1 TIP3W2338 23.083 7.209 -8.074 0.00 0.00 WT7  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 21960  
Duplicate atom serial number found: 21961  
Duplicate atom serial number found: 21962  
Duplicate atom serial number found: 21963  
Duplicate atom serial number found: 21964  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 137579  
ATOM 2196a H1 TIP3W2342 44.037 8.612 -34.183 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 137580  
ATOM 2196b H2 TIP3W2342 43.201 7.545 -33.509 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 137581  
ATOM 2196c OH2 TIP3W2343 -11.974 -23.197 -61.046 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 137582  
ATOM 2196d H1 TIP3W2343 -11.814 -23.783 -60.306 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 137583  
ATOM 2196e H2 TIP3W2343 -12.864 -22.873 -60.906 0.00 0.00 WT7  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 21970  
Duplicate atom serial number found: 21971  
Duplicate atom serial number found: 21972  
Duplicate atom serial number found: 21973  
Duplicate atom serial number found: 21974  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 137595  
ATOM 2197a H2 TIP3W2347 -20.871 -23.181 -59.218 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 137596  
ATOM 2197b OH2 TIP3W2348 23.909 43.864 2.469 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 137597  
ATOM 2197c H1 TIP3W2348 23.098 43.895 2.977 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 137598  
ATOM 2197d H2 TIP3W2348 24.498 43.317 2.989 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 137599  
ATOM 2197e OH2 TIP3W2349 48.346 47.974 -35.570 0.00 0.00 WT7  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 21980  
Duplicate atom serial number found: 21981  
Duplicate atom serial number found: 21982  
Duplicate atom serial number found: 21983  
Duplicate atom serial number found: 21984  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 137611  
ATOM 2198a OH2 TIP3W2356 -37.342 -5.460 42.240 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 137612  
ATOM 2198b H1 TIP3W2356 -36.535 -4.947 42.288 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 137613  
ATOM 2198c H2 TIP3W2356 -37.233 -6.008 41.463 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 137614  
ATOM 2198d OH2 TIP3W2358 -15.124 44.051 -31.606 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 137615  
ATOM 2198e H1 TIP3W2358 -15.400 44.442 -30.777 0.00 0.00 WT7  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 21990  
Duplicate atom serial number found: 21991  
Duplicate atom serial number found: 21992  
Duplicate atom serial number found: 21993  
Duplicate atom serial number found: 21994  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 137627  
ATOM 2199a H1 TIP3W2362 8.842 -18.957 25.669 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 137628  
ATOM 2199b H2 TIP3W2362 8.066 -18.519 26.893 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 137629  
ATOM 2199c OH2 TIP3W2363 14.104 44.290 -26.795 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 137630  
ATOM 2199d H1 TIP3W2363 13.506 44.129 -27.525 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 137631  
ATOM 2199e H2 TIP3W2363 13.854 45.153 -26.466 0.00 0.00 WT7  
  
1633 messages similar to the above omitted  
Duplicate atom serial number found: 22000  
Duplicate atom serial number found: 22001  
Duplicate atom serial number found: 22002  
Duplicate atom serial number found: 22003  
Duplicate atom serial number found: 22004  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 139275  
ATOM 2200a H2 TIP3W3019 17.671 3.295 34.886 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 139276  
ATOM 2200b OH2 TIP3W3021 11.953 -56.122 -34.193 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 139277  
ATOM 2200c H1 TIP3W3021 11.722 -55.387 -33.626 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 139278  
ATOM 2200d H2 TIP3W3021 11.125 -56.579 -34.343 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 139279  
ATOM 2200e OH2 TIP3W3022 -36.084 -37.015 -29.731 0.00 0.00 WT7  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 22010  
Duplicate atom serial number found: 22011  
Duplicate atom serial number found: 22012  
Duplicate atom serial number found: 22013  
Duplicate atom serial number found: 22014  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 139291  
ATOM 2201a OH2 TIP3W3028 27.577 42.803 2.055 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 139292  
ATOM 2201b H1 TIP3W3028 28.110 43.303 2.673 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 139293  
ATOM 2201c H2 TIP3W3028 27.801 41.889 2.230 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 139294  
ATOM 2201d OH2 TIP3W3029 -6.813 -34.400 -45.267 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 139295  
ATOM 2201e H1 TIP3W3029 -7.114 -33.497 -45.163 0.00 0.00 WT7  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 22020  
Duplicate atom serial number found: 22021  
Duplicate atom serial number found: 22022  
Duplicate atom serial number found: 22023  
Duplicate atom serial number found: 22024  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 139307  
ATOM 2202a H1 TIP3W3033 -52.273 5.476 -24.323 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 139308  
ATOM 2202b H2 TIP3W3033 -51.991 6.213 -23.032 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 139309  
ATOM 2202c OH2 TIP3W3035 -26.708 -13.432 7.473 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 139310  
ATOM 2202d H1 TIP3W3035 -26.904 -13.363 8.407 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 139311  
ATOM 2202e H2 TIP3W3035 -27.504 -13.799 7.088 0.00 0.00 WT7  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 22030  
Duplicate atom serial number found: 22031  
Duplicate atom serial number found: 22032  
Duplicate atom serial number found: 22033  
Duplicate atom serial number found: 22034  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 139323  
ATOM 2203a H2 TIP3W3043 43.986 -30.673 -5.703 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 139324  
ATOM 2203b OH2 TIP3W3045 -58.705 5.383 -11.351 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 139325  
ATOM 2203c H1 TIP3W3045 -59.094 6.139 -10.911 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 139326  
ATOM 2203d H2 TIP3W3045 -59.387 4.713 -11.324 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 139327  
ATOM 2203e OH2 TIP3W3046 -48.749 4.673 6.882 0.00 0.00 WT7  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 22040  
Duplicate atom serial number found: 22041  
Duplicate atom serial number found: 22042  
Duplicate atom serial number found: 22043  
Duplicate atom serial number found: 22044  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 139339  
ATOM 2204a OH2 TIP3W3050 49.452 45.039 -50.990 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 139340  
ATOM 2204b H1 TIP3W3050 50.347 44.733 -50.839 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 139341  
ATOM 2204c H2 TIP3W3050 49.240 44.734 -51.872 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 139342  
ATOM 2204d OH2 TIP3W3053 8.561 -42.041 -29.930 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 139343  
ATOM 2204e H1 TIP3W3053 8.365 -42.837 -29.435 0.00 0.00 WT7  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 22050  
Duplicate atom serial number found: 22051  
Duplicate atom serial number found: 22052  
Duplicate atom serial number found: 22053  
Duplicate atom serial number found: 22054  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 139355  
ATOM 2205a H1 TIP3W3058 3.616 -1.403 -51.003 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 139356  
ATOM 2205b H2 TIP3W3058 2.545 -1.905 -51.948 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 139357  
ATOM 2205c OH2 TIP3W3059 48.415 2.922 41.545 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 139358  
ATOM 2205d H1 TIP3W3059 48.285 3.799 41.906 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 139359  
ATOM 2205e H2 TIP3W3059 49.061 2.517 42.125 0.00 0.00 WT7  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 22060  
Duplicate atom serial number found: 22061  
Duplicate atom serial number found: 22062  
Duplicate atom serial number found: 22063  
Duplicate atom serial number found: 22064  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 139371  
ATOM 2206a H2 TIP3W3071 58.307 4.412 -40.555 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 139372  
ATOM 2206b OH2 TIP3W3072 -18.416 -5.414 50.391 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 139373  
ATOM 2206c H1 TIP3W3072 -18.181 -6.340 50.463 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 139374  
ATOM 2206d H2 TIP3W3072 -17.942 -4.990 51.106 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 139375  
ATOM 2206e OH2 TIP3W3073 -54.438 -29.265 56.942 0.00 0.00 WT7  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 22070  
Duplicate atom serial number found: 22071  
Duplicate atom serial number found: 22072  
Duplicate atom serial number found: 22073  
Duplicate atom serial number found: 22074  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 139387  
ATOM 2207a OH2 TIP3W3081 -12.350 25.158 -20.490 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 139388  
ATOM 2207b H1 TIP3W3081 -12.887 25.037 -19.707 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 139389  
ATOM 2207c H2 TIP3W3081 -11.449 25.136 -20.169 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 139390  
ATOM 2207d OH2 TIP3W3082 46.565 -25.316 13.793 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 139391  
ATOM 2207e H1 TIP3W3082 46.277 -26.228 13.748 0.00 0.00 WT7  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 22080  
Duplicate atom serial number found: 22081  
Duplicate atom serial number found: 22082  
Duplicate atom serial number found: 22083  
Duplicate atom serial number found: 22084  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 139403  
ATOM 2208a H1 TIP3W3087 37.779 -14.645 -60.088 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 139404  
ATOM 2208b H2 TIP3W3087 37.895 -15.009 -61.552 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 139405  
ATOM 2208c OH2 TIP3W3090 25.359 -4.507 -9.383 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 139406  
ATOM 2208d H1 TIP3W3090 26.193 -4.106 -9.627 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 139407  
ATOM 2208e H2 TIP3W3090 25.459 -4.725 -8.457 0.00 0.00 WT7  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 22090  
Duplicate atom serial number found: 22091  
Duplicate atom serial number found: 22092  
Duplicate atom serial number found: 22093  
Duplicate atom serial number found: 22094  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 139419  
ATOM 2209a H2 TIP3W3095 42.481 -32.417 -53.749 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 139420  
ATOM 2209b OH2 TIP3W3096 5.670 60.533 20.507 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 139421  
ATOM 2209c H1 TIP3W3096 5.688 61.151 19.776 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 139422  
ATOM 2209d H2 TIP3W3096 5.880 61.064 21.275 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 139423  
ATOM 2209e OH2 TIP3W3099 44.131 18.240 -60.037 0.00 0.00 WT7  
  
97 messages similar to the above omitted  
Duplicate atom serial number found: 22100  
Duplicate atom serial number found: 22101  
Duplicate atom serial number found: 22102  
Duplicate atom serial number found: 22103  
Duplicate atom serial number found: 22104  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 139531  
ATOM 2210a OH2 TIP3W3146 -43.985 1.552 -37.250 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 139532  
ATOM 2210b H1 TIP3W3146 -44.259 0.637 -37.319 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 139533  
ATOM 2210c H2 TIP3W3146 -43.251 1.629 -37.859 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 139534  
ATOM 2210d OH2 TIP3W3147 12.380 4.989 -16.937 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 139535  
ATOM 2210e H1 TIP3W3147 12.580 5.034 -16.002 0.00 0.00 WT7  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 22110  
Duplicate atom serial number found: 22111  
Duplicate atom serial number found: 22112  
Duplicate atom serial number found: 22113  
Duplicate atom serial number found: 22114  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 139547  
ATOM 2211a H1 TIP3W3154 40.894 -48.513 24.597 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 139548  
ATOM 2211b H2 TIP3W3154 42.362 -48.839 24.777 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 139549  
ATOM 2211c OH2 TIP3W3155 -48.993 -5.876 22.246 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 139550  
ATOM 2211d H1 TIP3W3155 -49.522 -5.119 21.996 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 139551  
ATOM 2211e H2 TIP3W3155 -48.110 -5.662 21.944 0.00 0.00 WT7  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 22120  
Duplicate atom serial number found: 22121  
Duplicate atom serial number found: 22122  
Duplicate atom serial number found: 22123  
Duplicate atom serial number found: 22124  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 139563  
ATOM 2212a H2 TIP3W3160 -20.127 45.400 -22.713 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 139564  
ATOM 2212b OH2 TIP3W3161 45.951 -14.128 -2.384 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 139565  
ATOM 2212c H1 TIP3W3161 45.681 -14.499 -3.224 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 139566  
ATOM 2212d H2 TIP3W3161 46.869 -13.889 -2.511 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 139567  
ATOM 2212e OH2 TIP3W3162 -15.139 -56.135 -11.248 0.00 0.00 WT7  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 22130  
Duplicate atom serial number found: 22131  
Duplicate atom serial number found: 22132  
Duplicate atom serial number found: 22133  
Duplicate atom serial number found: 22134  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 139579  
ATOM 2213a OH2 TIP3W3168 35.684 -4.554 35.155 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 139580  
ATOM 2213b H1 TIP3W3168 36.084 -3.888 35.716 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 139581  
ATOM 2213c H2 TIP3W3168 36.333 -4.712 34.470 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 139582  
ATOM 2213d OH2 TIP3W3169 23.274 32.332 -8.697 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 139583  
ATOM 2213e H1 TIP3W3169 22.957 31.466 -8.441 0.00 0.00 WT7  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 22140  
Duplicate atom serial number found: 22141  
Duplicate atom serial number found: 22142  
Duplicate atom serial number found: 22143  
Duplicate atom serial number found: 22144  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 139595  
ATOM 2214a H1 TIP3W3175 41.219 30.229 -8.880 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 139596  
ATOM 2214b H2 TIP3W3175 42.124 31.353 -8.421 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 139597  
ATOM 2214c OH2 TIP3W3176 9.488 -44.916 52.157 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 139598  
ATOM 2214d H1 TIP3W3176 10.150 -44.826 51.471 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 139599  
ATOM 2214e H2 TIP3W3176 9.989 -45.105 52.951 0.00 0.00 WT7  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 22150  
Duplicate atom serial number found: 22151  
Duplicate atom serial number found: 22152  
Duplicate atom serial number found: 22153  
Duplicate atom serial number found: 22154  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 139611  
ATOM 2215a H2 TIP3W3180 14.447 -30.930 53.452 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 139612  
ATOM 2215b OH2 TIP3W3181 47.929 16.677 -55.393 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 139613  
ATOM 2215c H1 TIP3W3181 48.068 16.097 -54.644 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 139614  
ATOM 2215d H2 TIP3W3181 48.781 17.088 -55.540 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 139615  
ATOM 2215e OH2 TIP3W3182 -60.578 36.448 -58.921 0.00 0.00 WT7  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 22160  
Duplicate atom serial number found: 22161  
Duplicate atom serial number found: 22162  
Duplicate atom serial number found: 22163  
Duplicate atom serial number found: 22164  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 139627  
ATOM 2216a OH2 TIP3W3186 -37.532 -29.149 -10.220 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 139628  
ATOM 2216b H1 TIP3W3186 -37.959 -28.668 -10.930 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 139629  
ATOM 2216c H2 TIP3W3186 -38.243 -29.624 -9.790 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 139630  
ATOM 2216d OH2 TIP3W3187 -18.858 13.961 -35.924 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 139631  
ATOM 2216e H1 TIP3W3187 -18.320 13.171 -35.961 0.00 0.00 WT7  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 22170  
Duplicate atom serial number found: 22171  
Duplicate atom serial number found: 22172  
Duplicate atom serial number found: 22173  
Duplicate atom serial number found: 22174  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 139643  
ATOM 2217a H1 TIP3W3191 -8.869 14.057 26.606 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 139644  
ATOM 2217b H2 TIP3W3191 -8.680 12.588 26.294 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 139645  
ATOM 2217c OH2 TIP3W3192 21.481 59.295 21.351 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 139646  
ATOM 2217d H1 TIP3W3192 21.014 59.470 22.168 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 139647  
ATOM 2217e H2 TIP3W3192 22.400 59.464 21.559 0.00 0.00 WT7  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 22180  
Duplicate atom serial number found: 22181  
Duplicate atom serial number found: 22182  
Duplicate atom serial number found: 22183  
Duplicate atom serial number found: 22184  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 139659  
ATOM 2218a H2 TIP3W3196 -42.270 -27.852 3.753 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 139660  
ATOM 2218b OH2 TIP3W3197 -57.070 -45.053 18.178 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 139661  
ATOM 2218c H1 TIP3W3197 -57.193 -44.435 17.457 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 139662  
ATOM 2218d H2 TIP3W3197 -57.743 -45.719 18.040 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 139663  
ATOM 2218e OH2 TIP3W3198 18.767 -47.819 -25.717 0.00 0.00 WT7  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 22190  
Duplicate atom serial number found: 22191  
Duplicate atom serial number found: 22192  
Duplicate atom serial number found: 22193  
Duplicate atom serial number found: 22194  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 139675  
ATOM 2219a OH2 TIP3W3203 36.822 27.286 11.293 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 139676  
ATOM 2219b H1 TIP3W3203 35.887 27.113 11.411 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 139677  
ATOM 2219c H2 TIP3W3203 37.200 26.430 11.092 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 139678  
ATOM 2219d OH2 TIP3W3204 -40.454 13.007 5.289 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 139679  
ATOM 2219e H1 TIP3W3204 -41.058 13.208 6.004 0.00 0.00 WT7  
  
97 messages similar to the above omitted  
Duplicate atom serial number found: 22200  
Duplicate atom serial number found: 22201  
Duplicate atom serial number found: 22202  
Duplicate atom serial number found: 22203  
Duplicate atom serial number found: 22204  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 139787  
ATOM 2220a H1 TIP3W3240 -42.578 -2.825 -28.295 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 139788  
ATOM 2220b H2 TIP3W3240 -43.339 -1.945 -27.326 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 139789  
ATOM 2220c OH2 TIP3W3241 10.548 -52.106 27.960 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 139790  
ATOM 2220d H1 TIP3W3241 11.448 -51.800 28.074 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 139791  
ATOM 2220e H2 TIP3W3241 10.047 -51.312 27.773 0.00 0.00 WT7  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 22210  
Duplicate atom serial number found: 22211  
Duplicate atom serial number found: 22212  
Duplicate atom serial number found: 22213  
Duplicate atom serial number found: 22214  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 139803  
ATOM 2221a H2 TIP3W3245 -25.459 40.374 -36.113 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 139804  
ATOM 2221b OH2 TIP3W3246 34.494 52.482 -27.927 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 139805  
ATOM 2221c H1 TIP3W3246 34.965 52.951 -27.239 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 139806  
ATOM 2221d H2 TIP3W3246 35.097 51.792 -28.204 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 139807  
ATOM 2221e OH2 TIP3W3247 -20.734 35.217 -39.529 0.00 0.00 WT7  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 22220  
Duplicate atom serial number found: 22221  
Duplicate atom serial number found: 22222  
Duplicate atom serial number found: 22223  
Duplicate atom serial number found: 22224  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 139819  
ATOM 2222a OH2 TIP3W3251 -15.647 -41.890 39.120 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 139820  
ATOM 2222b H1 TIP3W3251 -14.750 -41.998 39.437 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 139821  
ATOM 2222c H2 TIP3W3251 -15.549 -41.505 38.249 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 139822  
ATOM 2222d OH2 TIP3W3252 -49.269 22.321 8.693 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 139823  
ATOM 2222e H1 TIP3W3252 -48.992 21.707 8.012 0.00 0.00 WT7  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 22230  
Duplicate atom serial number found: 22231  
Duplicate atom serial number found: 22232  
Duplicate atom serial number found: 22233  
Duplicate atom serial number found: 22234  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 139835  
ATOM 2223a H1 TIP3W3257 -4.479 -8.705 -27.845 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 139836  
ATOM 2223b H2 TIP3W3257 -3.229 -8.520 -28.679 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 139837  
ATOM 2223c OH2 TIP3W3258 -40.375 -46.699 -46.025 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 139838  
ATOM 2223d H1 TIP3W3258 -40.031 -45.808 -45.964 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 139839  
ATOM 2223e H2 TIP3W3258 -39.708 -47.181 -46.514 0.00 0.00 WT7  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 22240  
Duplicate atom serial number found: 22241  
Duplicate atom serial number found: 22242  
Duplicate atom serial number found: 22243  
Duplicate atom serial number found: 22244  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 139851  
ATOM 2224a H2 TIP3W3262 54.629 -15.839 -13.783 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 139852  
ATOM 2224b OH2 TIP3W3263 -29.790 -46.717 -21.857 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 139853  
ATOM 2224c H1 TIP3W3263 -28.984 -47.126 -22.171 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 139854  
ATOM 2224d H2 TIP3W3263 -29.887 -47.035 -20.959 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 139855  
ATOM 2224e OH2 TIP3W3264 -23.387 46.404 30.636 0.00 0.00 WT7  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 22250  
Duplicate atom serial number found: 22251  
Duplicate atom serial number found: 22252  
Duplicate atom serial number found: 22253  
Duplicate atom serial number found: 22254  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 139867  
ATOM 2225a OH2 TIP3W3268 21.309 58.818 -1.530 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 139868  
ATOM 2225b H1 TIP3W3268 20.988 58.575 -2.399 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 139869  
ATOM 2225c H2 TIP3W3268 20.517 58.979 -1.018 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 139870  
ATOM 2225d OH2 TIP3W3269 7.341 26.522 -4.156 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 139871  
ATOM 2225e H1 TIP3W3269 6.807 25.915 -4.669 0.00 0.00 WT7  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 22260  
Duplicate atom serial number found: 22261  
Duplicate atom serial number found: 22262  
Duplicate atom serial number found: 22263  
Duplicate atom serial number found: 22264  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 139883  
ATOM 2226a H1 TIP3W3273 -56.406 15.726 46.221 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 139884  
ATOM 2226b H2 TIP3W3273 -55.975 16.134 47.613 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 139885  
ATOM 2226c OH2 TIP3W3274 25.585 -52.843 -39.973 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 139886  
ATOM 2226d H1 TIP3W3274 26.384 -53.193 -40.367 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 139887  
ATOM 2226e H2 TIP3W3274 25.679 -53.024 -39.038 0.00 0.00 WT7  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 22270  
Duplicate atom serial number found: 22271  
Duplicate atom serial number found: 22272  
Duplicate atom serial number found: 22273  
Duplicate atom serial number found: 22274  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 139899  
ATOM 2227a H2 TIP3W3279 -55.335 -43.875 12.262 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 139900  
ATOM 2227b OH2 TIP3W3280 -47.746 -3.737 -48.563 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 139901  
ATOM 2227c H1 TIP3W3280 -48.471 -3.260 -48.966 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 139902  
ATOM 2227d H2 TIP3W3280 -48.145 -4.205 -47.830 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 139903  
ATOM 2227e OH2 TIP3W3281 -9.955 -60.340 28.200 0.00 0.00 WT7  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 22280  
Duplicate atom serial number found: 22281  
Duplicate atom serial number found: 22282  
Duplicate atom serial number found: 22283  
Duplicate atom serial number found: 22284  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 139915  
ATOM 2228a OH2 TIP3W3285 -27.641 42.824 -8.523 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 139916  
ATOM 2228b H1 TIP3W3285 -28.513 42.676 -8.888 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 139917  
ATOM 2228c H2 TIP3W3285 -27.798 43.022 -7.600 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 139918  
ATOM 2228d OH2 TIP3W3286 -48.610 -14.279 -17.254 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 139919  
ATOM 2228e H1 TIP3W3286 -48.951 -13.384 -17.263 0.00 0.00 WT7  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 22290  
Duplicate atom serial number found: 22291  
Duplicate atom serial number found: 22292  
Duplicate atom serial number found: 22293  
Duplicate atom serial number found: 22294  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 139931  
ATOM 2229a H1 TIP3W3291 16.052 41.578 -57.296 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 139932  
ATOM 2229b H2 TIP3W3291 16.191 43.000 -57.797 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 139933  
ATOM 2229c OH2 TIP3W3292 -54.173 -16.783 -7.486 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 139934  
ATOM 2229d H1 TIP3W3292 -53.440 -17.371 -7.307 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 139935  
ATOM 2229e H2 TIP3W3292 -53.766 -15.928 -7.627 0.00 0.00 WT7  
  
97 messages similar to the above omitted  
Duplicate atom serial number found: 22300  
Duplicate atom serial number found: 22301  
Duplicate atom serial number found: 22302  
Duplicate atom serial number found: 22303  
Duplicate atom serial number found: 22304  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 140043  
ATOM 2230a H2 TIP3W3328 -15.542 -35.007 -1.193 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 140044  
ATOM 2230b OH2 TIP3W3329 -23.865 8.991 -42.201 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 140045  
ATOM 2230c H1 TIP3W3329 -23.374 8.188 -42.377 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 140046  
ATOM 2230d H2 TIP3W3329 -23.419 9.663 -42.717 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 140047  
ATOM 2230e OH2 TIP3W3330 27.680 -45.060 -19.138 0.00 0.00 WT7  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 22310  
Duplicate atom serial number found: 22311  
Duplicate atom serial number found: 22312  
Duplicate atom serial number found: 22313  
Duplicate atom serial number found: 22314  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 140059  
ATOM 2231a OH2 TIP3W3335 36.249 -23.996 -27.636 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 140060  
ATOM 2231b H1 TIP3W3335 36.885 -24.691 -27.806 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 140061  
ATOM 2231c H2 TIP3W3335 35.749 -23.925 -28.448 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 140062  
ATOM 2231d OH2 TIP3W3337 -14.221 27.572 -51.959 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 140063  
ATOM 2231e H1 TIP3W3337 -14.954 28.025 -52.376 0.00 0.00 WT7  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 22320  
Duplicate atom serial number found: 22321  
Duplicate atom serial number found: 22322  
Duplicate atom serial number found: 22323  
Duplicate atom serial number found: 22324  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 140075  
ATOM 2232a H1 TIP3W3342 45.538 19.251 -61.249 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 140076  
ATOM 2232b H2 TIP3W3342 46.910 19.763 -60.866 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 140077  
ATOM 2232c OH2 TIP3W3343 60.284 -9.817 45.199 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 140078  
ATOM 2232d H1 TIP3W3343 60.441 -10.163 44.320 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 140079  
ATOM 2232e H2 TIP3W3343 59.384 -9.493 45.172 0.00 0.00 WT7  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 22330  
Duplicate atom serial number found: 22331  
Duplicate atom serial number found: 22332  
Duplicate atom serial number found: 22333  
Duplicate atom serial number found: 22334  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 140091  
ATOM 2233a H2 TIP3W3347 -19.831 37.915 -39.004 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 140092  
ATOM 2233b OH2 TIP3W3348 -14.467 -49.920 59.048 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 140093  
ATOM 2233c H1 TIP3W3348 -14.055 -49.111 59.353 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 140094  
ATOM 2233d H2 TIP3W3348 -14.299 -49.933 58.106 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 140095  
ATOM 2233e OH2 TIP3W3349 -34.018 8.613 52.075 0.00 0.00 WT7  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 22340  
Duplicate atom serial number found: 22341  
Duplicate atom serial number found: 22342  
Duplicate atom serial number found: 22343  
Duplicate atom serial number found: 22344  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 140107  
ATOM 2234a OH2 TIP3W3355 11.145 57.491 -10.608 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 140108  
ATOM 2234b H1 TIP3W3355 10.922 57.712 -11.512 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 140109  
ATOM 2234c H2 TIP3W3355 10.305 57.290 -10.196 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 140110  
ATOM 2234d OH2 TIP3W3356 16.554 52.683 34.227 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 140111  
ATOM 2234e H1 TIP3W3356 17.402 52.280 34.041 0.00 0.00 WT7  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 22350  
Duplicate atom serial number found: 22351  
Duplicate atom serial number found: 22352  
Duplicate atom serial number found: 22353  
Duplicate atom serial number found: 22354  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 140123  
ATOM 2235a H1 TIP3W3361 -57.131 -12.141 -30.038 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 140124  
ATOM 2235b H2 TIP3W3361 -58.141 -11.063 -30.372 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 140125  
ATOM 2235c OH2 TIP3W3362 20.646 21.754 -30.611 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 140126  
ATOM 2235d H1 TIP3W3362 20.359 21.000 -30.095 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 140127  
ATOM 2235e H2 TIP3W3362 20.692 22.473 -29.981 0.00 0.00 WT7  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 22360  
Duplicate atom serial number found: 22361  
Duplicate atom serial number found: 22362  
Duplicate atom serial number found: 22363  
Duplicate atom serial number found: 22364  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 140139  
ATOM 2236a H2 TIP3W3366 -50.779 -22.677 -60.397 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 140140  
ATOM 2236b OH2 TIP3W3367 48.050 33.419 5.566 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 140141  
ATOM 2236c H1 TIP3W3367 48.828 33.050 5.984 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 140142  
ATOM 2236d H2 TIP3W3367 48.237 34.355 5.493 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 140143  
ATOM 2236e OH2 TIP3W3368 -20.315 -31.370 9.747 0.00 0.00 WT7  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 22370  
Duplicate atom serial number found: 22371  
Duplicate atom serial number found: 22372  
Duplicate atom serial number found: 22373  
Duplicate atom serial number found: 22374  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 140155  
ATOM 2237a OH2 TIP3W3372 -35.076 -43.604 52.314 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 140156  
ATOM 2237b H1 TIP3W3372 -35.501 -43.654 53.170 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 140157  
ATOM 2237c H2 TIP3W3372 -35.671 -44.064 51.722 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 140158  
ATOM 2237d OH2 TIP3W3373 16.272 5.785 -22.614 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 140159  
ATOM 2237e H1 TIP3W3373 16.771 6.327 -22.002 0.00 0.00 WT7  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 22380  
Duplicate atom serial number found: 22381  
Duplicate atom serial number found: 22382  
Duplicate atom serial number found: 22383  
Duplicate atom serial number found: 22384  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 140171  
ATOM 2238a H1 TIP3W3379 25.654 -31.383 23.238 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 140172  
ATOM 2238b H2 TIP3W3379 26.140 -29.959 23.409 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 140173  
ATOM 2238c OH2 TIP3W3381 -58.598 -44.115 13.059 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 140174  
ATOM 2238d H1 TIP3W3381 -57.963 -44.705 12.653 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 140175  
ATOM 2238e H2 TIP3W3381 -59.424 -44.598 13.036 0.00 0.00 WT7  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 22390  
Duplicate atom serial number found: 22391  
Duplicate atom serial number found: 22392  
Duplicate atom serial number found: 22393  
Duplicate atom serial number found: 22394  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 140187  
ATOM 2239a H2 TIP3W3386 5.384 41.572 -2.966 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 140188  
ATOM 2239b OH2 TIP3W3387 -6.438 -52.657 13.129 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 140189  
ATOM 2239c H1 TIP3W3387 -5.560 -52.903 13.422 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 140190  
ATOM 2239d H2 TIP3W3387 -6.298 -52.235 12.281 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 140191  
ATOM 2239e OH2 TIP3W3388 11.275 31.464 -17.541 0.00 0.00 WT7  
  
97 messages similar to the above omitted  
Duplicate atom serial number found: 22400  
Duplicate atom serial number found: 22401  
Duplicate atom serial number found: 22402  
Duplicate atom serial number found: 22403  
Duplicate atom serial number found: 22404  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 140299  
ATOM 2240a OH2 TIP3W3431 -55.837 -27.566 50.268 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 140300  
ATOM 2240b H1 TIP3W3431 -56.551 -27.211 50.798 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 140301  
ATOM 2240c H2 TIP3W3431 -55.624 -28.403 50.682 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 140302  
ATOM 2240d OH2 TIP3W3433 44.951 1.544 20.786 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 140303  
ATOM 2240e H1 TIP3W3433 44.493 2.384 20.758 0.00 0.00 WT7  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 22410  
Duplicate atom serial number found: 22411  
Duplicate atom serial number found: 22412  
Duplicate atom serial number found: 22413  
Duplicate atom serial number found: 22414  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 140315  
ATOM 2241a H1 TIP3W3438 18.622 22.512 -49.332 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 140316  
ATOM 2241b H2 TIP3W3438 19.372 21.265 -48.915 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 140317  
ATOM 2241c OH2 TIP3W3439 33.487 -17.104 -14.416 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 140318  
ATOM 2241d H1 TIP3W3439 33.911 -16.251 -14.516 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 140319  
ATOM 2241e H2 TIP3W3439 33.683 -17.365 -13.516 0.00 0.00 WT7  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 22420  
Duplicate atom serial number found: 22421  
Duplicate atom serial number found: 22422  
Duplicate atom serial number found: 22423  
Duplicate atom serial number found: 22424  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 140331  
ATOM 2242a H2 TIP3W3445 22.635 14.122 8.508 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 140332  
ATOM 2242b OH2 TIP3W3447 57.151 42.709 -47.808 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 140333  
ATOM 2242c H1 TIP3W3447 57.994 42.986 -47.448 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 140334  
ATOM 2242d H2 TIP3W3447 56.501 43.190 -47.297 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 140335  
ATOM 2242e OH2 TIP3W3448 31.945 -36.804 -37.942 0.00 0.00 WT7  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 22430  
Duplicate atom serial number found: 22431  
Duplicate atom serial number found: 22432  
Duplicate atom serial number found: 22433  
Duplicate atom serial number found: 22434  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 140347  
ATOM 2243a OH2 TIP3W3453 -58.540 18.651 -53.448 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 140348  
ATOM 2243b H1 TIP3W3453 -59.426 18.923 -53.690 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 140349  
ATOM 2243c H2 TIP3W3453 -58.273 19.274 -52.773 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 140350  
ATOM 2243d OH2 TIP3W3454 -34.055 52.901 -43.154 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 140351  
ATOM 2243e H1 TIP3W3454 -33.355 53.497 -42.886 0.00 0.00 WT7  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 22440  
Duplicate atom serial number found: 22441  
Duplicate atom serial number found: 22442  
Duplicate atom serial number found: 22443  
Duplicate atom serial number found: 22444  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 140363  
ATOM 2244a H1 TIP3W3459 -18.126 10.211 4.519 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 140364  
ATOM 2244b H2 TIP3W3459 -19.502 9.582 4.559 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 140365  
ATOM 2244c OH2 TIP3W3461 23.329 -53.110 -23.171 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 140366  
ATOM 2244d H1 TIP3W3461 23.503 -52.209 -22.898 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 140367  
ATOM 2244e H2 TIP3W3461 24.108 -53.366 -23.665 0.00 0.00 WT7  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 22450  
Duplicate atom serial number found: 22451  
Duplicate atom serial number found: 22452  
Duplicate atom serial number found: 22453  
Duplicate atom serial number found: 22454  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 140379  
ATOM 2245a H2 TIP3W3466 -10.815 -22.531 -56.481 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 140380  
ATOM 2245b OH2 TIP3W3467 -45.949 33.788 59.260 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 140381  
ATOM 2245c H1 TIP3W3467 -45.770 34.327 58.489 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 140382  
ATOM 2245d H2 TIP3W3467 -45.941 34.404 59.992 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 140383  
ATOM 2245e OH2 TIP3W3468 43.770 41.943 -23.333 0.00 0.00 WT7  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 22460  
Duplicate atom serial number found: 22461  
Duplicate atom serial number found: 22462  
Duplicate atom serial number found: 22463  
Duplicate atom serial number found: 22464  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 140395  
ATOM 2246a OH2 TIP3W3473 -18.887 55.353 -45.494 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 140396  
ATOM 2246b H1 TIP3W3473 -18.637 56.146 -45.019 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 140397  
ATOM 2246c H2 TIP3W3473 -18.961 55.633 -46.406 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 140398  
ATOM 2246d OH2 TIP3W3474 8.030 -24.426 9.497 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 140399  
ATOM 2246e H1 TIP3W3474 8.207 -25.360 9.388 0.00 0.00 WT7  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 22470  
Duplicate atom serial number found: 22471  
Duplicate atom serial number found: 22472  
Duplicate atom serial number found: 22473  
Duplicate atom serial number found: 22474  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 140411  
ATOM 2247a H1 TIP3W3481 0.935 40.120 -26.233 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 140412  
ATOM 2247b H2 TIP3W3481 -0.409 40.802 -26.089 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 140413  
ATOM 2247c OH2 TIP3W3482 51.556 -34.098 50.673 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 140414  
ATOM 2247d H1 TIP3W3482 52.353 -33.625 50.434 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 140415  
ATOM 2247e H2 TIP3W3482 50.843 -33.529 50.382 0.00 0.00 WT7  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 22480  
Duplicate atom serial number found: 22481  
Duplicate atom serial number found: 22482  
Duplicate atom serial number found: 22483  
Duplicate atom serial number found: 22484  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 140427  
ATOM 2248a H2 TIP3W3487 56.586 4.835 -38.281 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 140428  
ATOM 2248b OH2 TIP3W3488 22.708 -6.248 35.662 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 140429  
ATOM 2248c H1 TIP3W3488 21.808 -6.362 35.357 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 140430  
ATOM 2248d H2 TIP3W3488 23.105 -7.114 35.567 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 140431  
ATOM 2248e OH2 TIP3W3489 61.249 36.234 -3.856 0.00 0.00 WT7  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 22490  
Duplicate atom serial number found: 22491  
Duplicate atom serial number found: 22492  
Duplicate atom serial number found: 22493  
Duplicate atom serial number found: 22494  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 140443  
ATOM 2249a OH2 TIP3W3497 60.332 -34.891 0.428 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 140444  
ATOM 2249b H1 TIP3W3497 60.908 -34.710 1.171 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 140445  
ATOM 2249c H2 TIP3W3497 60.391 -34.108 -0.119 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 140446  
ATOM 2249d OH2 TIP3W3501 51.059 -19.979 -58.685 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 140447  
ATOM 2249e H1 TIP3W3501 51.837 -20.425 -59.018 0.00 0.00 WT7  
  
97 messages similar to the above omitted  
Duplicate atom serial number found: 22500  
Duplicate atom serial number found: 22501  
Duplicate atom serial number found: 22502  
Duplicate atom serial number found: 22503  
Duplicate atom serial number found: 22504  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 140555  
ATOM 2250a H1 TIP3W3567 19.918 -43.412 49.044 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 140556  
ATOM 2250b H2 TIP3W3567 18.719 -44.331 48.935 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 140557  
ATOM 2250c OH2 TIP3W3568 53.614 -44.737 -51.405 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 140558  
ATOM 2250d H1 TIP3W3568 52.964 -44.642 -50.709 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 140559  
ATOM 2250e H2 TIP3W3568 53.287 -44.185 -52.116 0.00 0.00 WT7  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 22510  
Duplicate atom serial number found: 22511  
Duplicate atom serial number found: 22512  
Duplicate atom serial number found: 22513  
Duplicate atom serial number found: 22514  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 140571  
ATOM 2251a H2 TIP3W3575 6.881 1.494 37.483 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 140572  
ATOM 2251b OH2 TIP3W3576 19.427 16.912 -36.447 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 140573  
ATOM 2251c H1 TIP3W3576 18.618 16.617 -36.030 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 140574  
ATOM 2251d H2 TIP3W3576 19.152 17.621 -37.029 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 140575  
ATOM 2251e OH2 TIP3W3578 36.400 2.862 19.932 0.00 0.00 WT7  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 22520  
Duplicate atom serial number found: 22521  
Duplicate atom serial number found: 22522  
Duplicate atom serial number found: 22523  
Duplicate atom serial number found: 22524  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 140587  
ATOM 2252a OH2 TIP3W3585 1.442 39.716 41.598 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 140588  
ATOM 2252b H1 TIP3W3585 1.518 38.971 41.002 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 140589  
ATOM 2252c H2 TIP3W3585 0.517 39.731 41.846 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 140590  
ATOM 2252d OH2 TIP3W3586 51.726 20.044 -38.350 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 140591  
ATOM 2252e H1 TIP3W3586 51.699 21.001 -38.343 0.00 0.00 WT7  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 22530  
Duplicate atom serial number found: 22531  
Duplicate atom serial number found: 22532  
Duplicate atom serial number found: 22533  
Duplicate atom serial number found: 22534  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 140603  
ATOM 2253a H1 TIP3W3590 -41.054 -35.864 42.793 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 140604  
ATOM 2253b H2 TIP3W3590 -41.042 -35.740 44.301 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 140605  
ATOM 2253c OH2 TIP3W3592 -34.457 40.722 -20.416 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 140606  
ATOM 2253d H1 TIP3W3592 -33.679 40.448 -19.930 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 140607  
ATOM 2253e H2 TIP3W3592 -34.327 41.658 -20.570 0.00 0.00 WT7  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 22540  
Duplicate atom serial number found: 22541  
Duplicate atom serial number found: 22542  
Duplicate atom serial number found: 22543  
Duplicate atom serial number found: 22544  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 140619  
ATOM 2254a H2 TIP3W3597 36.427 -7.321 11.904 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 140620  
ATOM 2254b OH2 TIP3W3598 -44.210 56.158 0.224 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 140621  
ATOM 2254c H1 TIP3W3598 -43.866 56.545 1.029 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 140622  
ATOM 2254d H2 TIP3W3598 -43.432 55.870 -0.255 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 140623  
ATOM 2254e OH2 TIP3W3599 -14.791 -9.283 60.329 0.00 0.00 WT7  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 22550  
Duplicate atom serial number found: 22551  
Duplicate atom serial number found: 22552  
Duplicate atom serial number found: 22553  
Duplicate atom serial number found: 22554  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 140635  
ATOM 2255a OH2 TIP3W3603 -11.934 -0.580 -45.193 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 140636  
ATOM 2255b H1 TIP3W3603 -12.658 -0.785 -45.784 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 140637  
ATOM 2255c H2 TIP3W3603 -11.345 -0.035 -45.714 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 140638  
ATOM 2255d OH2 TIP3W3604 33.278 20.666 -5.052 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 140639  
ATOM 2255e H1 TIP3W3604 33.324 20.450 -5.983 0.00 0.00 WT7  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 22560  
Duplicate atom serial number found: 22561  
Duplicate atom serial number found: 22562  
Duplicate atom serial number found: 22563  
Duplicate atom serial number found: 22564  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 140651  
ATOM 2256a H1 TIP3W3608 31.375 -32.099 -31.794 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 140652  
ATOM 2256b H2 TIP3W3608 31.768 -30.643 -31.654 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 140653  
ATOM 2256c OH2 TIP3W3609 55.561 -15.546 37.316 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 140654  
ATOM 2256d H1 TIP3W3609 55.754 -15.193 36.447 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 140655  
ATOM 2256e H2 TIP3W3609 56.063 -14.996 37.916 0.00 0.00 WT7  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 22570  
Duplicate atom serial number found: 22571  
Duplicate atom serial number found: 22572  
Duplicate atom serial number found: 22573  
Duplicate atom serial number found: 22574  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 140667  
ATOM 2257a H2 TIP3W3613 4.566 -52.311 -25.735 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 140668  
ATOM 2257b OH2 TIP3W3614 -41.041 58.981 60.586 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 140669  
ATOM 2257c H1 TIP3W3614 -40.272 59.551 60.570 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 140670  
ATOM 2257d H2 TIP3W3614 -40.712 58.125 60.312 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 140671  
ATOM 2257e OH2 TIP3W3615 -33.242 -19.148 35.520 0.00 0.00 WT7  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 22580  
Duplicate atom serial number found: 22581  
Duplicate atom serial number found: 22582  
Duplicate atom serial number found: 22583  
Duplicate atom serial number found: 22584  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 140683  
ATOM 2258a OH2 TIP3W3619 -19.140 -25.720 29.537 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 140684  
ATOM 2258b H1 TIP3W3619 -19.423 -24.806 29.569 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 140685  
ATOM 2258c H2 TIP3W3619 -19.900 -26.194 29.200 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 140686  
ATOM 2258d OH2 TIP3W3620 -20.291 29.287 -17.658 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 140687  
ATOM 2258e H1 TIP3W3620 -19.872 29.758 -16.938 0.00 0.00 WT7  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 22590  
Duplicate atom serial number found: 22591  
Duplicate atom serial number found: 22592  
Duplicate atom serial number found: 22593  
Duplicate atom serial number found: 22594  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 140699  
ATOM 2259a H1 TIP3W3624 30.673 31.339 -53.161 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 140700  
ATOM 2259b H2 TIP3W3624 31.159 32.591 -53.860 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 140701  
ATOM 2259c OH2 TIP3W3625 30.140 22.946 52.025 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 140702  
ATOM 2259d H1 TIP3W3625 30.414 22.873 51.111 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 140703  
ATOM 2259e H2 TIP3W3625 29.581 22.183 52.170 0.00 0.00 WT7  
  
97 messages similar to the above omitted  
Duplicate atom serial number found: 22600  
Duplicate atom serial number found: 22601  
Duplicate atom serial number found: 22602  
Duplicate atom serial number found: 22603  
Duplicate atom serial number found: 22604  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 140811  
ATOM 2260a H2 TIP3W3666 -12.356 50.146 -2.323 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 140812  
ATOM 2260b OH2 TIP3W3667 -22.543 -50.809 27.827 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 140813  
ATOM 2260c H1 TIP3W3667 -22.671 -51.605 27.311 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 140814  
ATOM 2260d H2 TIP3W3667 -23.285 -50.793 28.432 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 140815  
ATOM 2260e OH2 TIP3W3668 -1.019 13.887 -36.781 0.00 0.00 WT7  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 22610  
Duplicate atom serial number found: 22611  
Duplicate atom serial number found: 22612  
Duplicate atom serial number found: 22613  
Duplicate atom serial number found: 22614  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 140827  
ATOM 2261a OH2 TIP3W3673 31.951 15.832 0.385 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 140828  
ATOM 2261b H1 TIP3W3673 31.555 16.100 -0.445 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 140829  
ATOM 2261c H2 TIP3W3673 32.608 16.503 0.566 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 140830  
ATOM 2261d OH2 TIP3W3674 58.642 -6.226 22.635 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 140831  
ATOM 2261e H1 TIP3W3674 59.240 -6.176 21.889 0.00 0.00 WT7  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 22620  
Duplicate atom serial number found: 22621  
Duplicate atom serial number found: 22622  
Duplicate atom serial number found: 22623  
Duplicate atom serial number found: 22624  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 140843  
ATOM 2262a H1 TIP3W3678 -48.995 -6.501 -4.564 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 140844  
ATOM 2262b H2 TIP3W3678 -47.882 -7.486 -4.850 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 140845  
ATOM 2262c OH2 TIP3W3679 23.570 -7.636 42.642 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 140846  
ATOM 2262d H1 TIP3W3679 23.683 -8.272 41.935 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 140847  
ATOM 2262e H2 TIP3W3679 24.340 -7.070 42.581 0.00 0.00 WT7  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 22630  
Duplicate atom serial number found: 22631  
Duplicate atom serial number found: 22632  
Duplicate atom serial number found: 22633  
Duplicate atom serial number found: 22634  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 140859  
ATOM 2263a H2 TIP3W3683 23.658 -46.414 17.926 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 140860  
ATOM 2263b OH2 TIP3W3684 8.238 29.278 -25.798 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 140861  
ATOM 2263c H1 TIP3W3684 9.188 29.342 -25.700 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 140862  
ATOM 2263d H2 TIP3W3684 8.114 28.749 -26.586 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 140863  
ATOM 2263e OH2 TIP3W3685 59.852 27.148 10.376 0.00 0.00 WT7  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 22640  
Duplicate atom serial number found: 22641  
Duplicate atom serial number found: 22642  
Duplicate atom serial number found: 22643  
Duplicate atom serial number found: 22644  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 140875  
ATOM 2264a OH2 TIP3W3689 11.897 23.139 -30.308 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 140876  
ATOM 2264b H1 TIP3W3689 11.676 22.308 -29.888 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 140877  
ATOM 2264c H2 TIP3W3689 12.832 23.251 -30.141 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 140878  
ATOM 2264d OH2 TIP3W3690 -59.036 17.385 -33.194 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 140879  
ATOM 2264e H1 TIP3W3690 -59.179 17.968 -32.448 0.00 0.00 WT7  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 22650  
Duplicate atom serial number found: 22651  
Duplicate atom serial number found: 22652  
Duplicate atom serial number found: 22653  
Duplicate atom serial number found: 22654  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 140891  
ATOM 2265a H1 TIP3W3694 -19.242 -51.447 -34.070 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 140892  
ATOM 2265b H2 TIP3W3694 -20.450 -52.107 -33.440 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 140893  
ATOM 2265c OH2 TIP3W3695 -26.507 -42.439 -59.838 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 140894  
ATOM 2265d H1 TIP3W3695 -26.552 -42.851 -58.975 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 140895  
ATOM 2265e H2 TIP3W3695 -26.371 -43.166 -60.445 0.00 0.00 WT7  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 22660  
Duplicate atom serial number found: 22661  
Duplicate atom serial number found: 22662  
Duplicate atom serial number found: 22663  
Duplicate atom serial number found: 22664  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 140907  
ATOM 2266a H2 TIP3W3701 -51.831 -49.529 -31.377 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 140908  
ATOM 2266b OH2 TIP3W3702 -41.355 21.954 26.690 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 140909  
ATOM 2266c H1 TIP3W3702 -40.902 21.318 26.137 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 140910  
ATOM 2266d H2 TIP3W3702 -41.265 22.785 26.223 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 140911  
ATOM 2266e OH2 TIP3W3703 -12.727 -5.863 59.088 0.00 0.00 WT7  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 22670  
Duplicate atom serial number found: 22671  
Duplicate atom serial number found: 22672  
Duplicate atom serial number found: 22673  
Duplicate atom serial number found: 22674  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 140923  
ATOM 2267a OH2 TIP3W3707 -1.388 42.542 55.771 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 140924  
ATOM 2267b H1 TIP3W3707 -1.315 41.639 55.464 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 140925  
ATOM 2267c H2 TIP3W3707 -2.329 42.718 55.776 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 140926  
ATOM 2267d OH2 TIP3W3708 -14.157 -45.720 -20.866 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 140927  
ATOM 2267e H1 TIP3W3708 -14.790 -45.732 -21.584 0.00 0.00 WT7  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 22680  
Duplicate atom serial number found: 22681  
Duplicate atom serial number found: 22682  
Duplicate atom serial number found: 22683  
Duplicate atom serial number found: 22684  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 140939  
ATOM 2268a H1 TIP3W3712 -28.613 18.241 48.452 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 140940  
ATOM 2268b H2 TIP3W3712 -29.161 17.201 49.406 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 140941  
ATOM 2268c OH2 TIP3W3713 9.072 -40.392 -5.870 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 140942  
ATOM 2268d H1 TIP3W3713 8.392 -39.774 -5.600 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 140943  
ATOM 2268e H2 TIP3W3713 8.591 -41.176 -6.138 0.00 0.00 WT7  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 22690  
Duplicate atom serial number found: 22691  
Duplicate atom serial number found: 22692  
Duplicate atom serial number found: 22693  
Duplicate atom serial number found: 22694  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 140955  
ATOM 2269a H2 TIP3W3717 -59.349 -55.901 -57.380 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 140956  
ATOM 2269b OH2 TIP3W3718 13.027 -59.681 11.557 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 140957  
ATOM 2269c H1 TIP3W3718 13.926 -59.939 11.759 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 140958  
ATOM 2269d H2 TIP3W3718 13.109 -59.091 10.808 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 140959  
ATOM 2269e OH2 TIP3W3719 58.606 -9.729 -2.219 0.00 0.00 WT7  
  
97 messages similar to the above omitted  
Duplicate atom serial number found: 22700  
Duplicate atom serial number found: 22701  
Duplicate atom serial number found: 22702  
Duplicate atom serial number found: 22703  
Duplicate atom serial number found: 22704  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 141067  
ATOM 2270a OH2 TIP3W3759 43.478 12.973 55.532 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 141068  
ATOM 2270b H1 TIP3W3759 42.885 12.633 54.861 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 141069  
ATOM 2270c H2 TIP3W3759 43.043 13.759 55.861 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 141070  
ATOM 2270d OH2 TIP3W3760 15.036 -54.842 -20.324 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 141071  
ATOM 2270e H1 TIP3W3760 15.750 -54.364 -19.901 0.00 0.00 WT7  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 22710  
Duplicate atom serial number found: 22711  
Duplicate atom serial number found: 22712  
Duplicate atom serial number found: 22713  
Duplicate atom serial number found: 22714  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 141083  
ATOM 2271a H1 TIP3W3764 -3.094 54.165 -47.107 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 141084  
ATOM 2271b H2 TIP3W3764 -1.628 53.835 -46.927 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 141085  
ATOM 2271c OH2 TIP3W3765 32.277 -7.091 11.316 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 141086  
ATOM 2271d H1 TIP3W3765 32.714 -6.351 10.894 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 141087  
ATOM 2271e H2 TIP3W3765 32.097 -7.703 10.603 0.00 0.00 WT7  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 22720  
Duplicate atom serial number found: 22721  
Duplicate atom serial number found: 22722  
Duplicate atom serial number found: 22723  
Duplicate atom serial number found: 22724  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 141099  
ATOM 2272a H2 TIP3W3769 56.052 52.088 -25.328 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 141100  
ATOM 2272b OH2 TIP3W3771 9.232 17.426 -26.271 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 141101  
ATOM 2272c H1 TIP3W3771 9.809 17.255 -25.526 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 141102  
ATOM 2272d H2 TIP3W3771 9.178 18.381 -26.318 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 141103  
ATOM 2272e OH2 TIP3W3772 56.612 -38.441 -26.590 0.00 0.00 WT7  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 22730  
Duplicate atom serial number found: 22731  
Duplicate atom serial number found: 22732  
Duplicate atom serial number found: 22733  
Duplicate atom serial number found: 22734  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 141115  
ATOM 2273a OH2 TIP3W3776 -46.265 -45.497 -36.598 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 141116  
ATOM 2273b H1 TIP3W3776 -45.397 -45.214 -36.311 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 141117  
ATOM 2273c H2 TIP3W3776 -46.602 -44.761 -37.109 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 141118  
ATOM 2273d OH2 TIP3W3777 20.467 -25.679 -54.119 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 141119  
ATOM 2273e H1 TIP3W3777 20.664 -25.114 -53.371 0.00 0.00 WT7  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 22740  
Duplicate atom serial number found: 22741  
Duplicate atom serial number found: 22742  
Duplicate atom serial number found: 22743  
Duplicate atom serial number found: 22744  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 141131  
ATOM 2274a H1 TIP3W3781 31.465 -39.047 -8.297 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 141132  
ATOM 2274b H2 TIP3W3781 32.886 -39.566 -8.249 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 141133  
ATOM 2274c OH2 TIP3W3782 13.921 40.330 -48.076 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 141134  
ATOM 2274d H1 TIP3W3782 13.076 40.776 -48.124 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 141135  
ATOM 2274e H2 TIP3W3782 13.778 39.494 -48.520 0.00 0.00 WT7  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 22750  
Duplicate atom serial number found: 22751  
Duplicate atom serial number found: 22752  
Duplicate atom serial number found: 22753  
Duplicate atom serial number found: 22754  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 141147  
ATOM 2275a H2 TIP3W3787 -2.358 35.021 14.016 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 141148  
ATOM 2275b OH2 TIP3W3788 50.978 -11.523 -34.705 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 141149  
ATOM 2275c H1 TIP3W3788 50.856 -12.243 -34.086 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 141150  
ATOM 2275d H2 TIP3W3788 50.676 -10.747 -34.233 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 141151  
ATOM 2275e OH2 TIP3W3789 -0.551 -44.674 56.180 0.00 0.00 WT7  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 22760  
Duplicate atom serial number found: 22761  
Duplicate atom serial number found: 22762  
Duplicate atom serial number found: 22763  
Duplicate atom serial number found: 22764  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 141163  
ATOM 2276a OH2 TIP3W3793 48.403 -5.657 -55.250 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 141164  
ATOM 2276b H1 TIP3W3793 48.035 -6.445 -54.850 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 141165  
ATOM 2276c H2 TIP3W3793 49.261 -5.557 -54.837 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 141166  
ATOM 2276d OH2 TIP3W3794 -14.368 -36.638 -46.584 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 141167  
ATOM 2276e H1 TIP3W3794 -13.986 -37.506 -46.455 0.00 0.00 WT7  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 22770  
Duplicate atom serial number found: 22771  
Duplicate atom serial number found: 22772  
Duplicate atom serial number found: 22773  
Duplicate atom serial number found: 22774  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 141179  
ATOM 2277a H1 TIP3W3798 32.212 5.642 -30.182 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 141180  
ATOM 2277b H2 TIP3W3798 32.790 6.292 -31.421 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 141181  
ATOM 2277c OH2 TIP3W3799 30.388 -47.185 43.358 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 141182  
ATOM 2277d H1 TIP3W3799 30.410 -47.026 42.415 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 141183  
ATOM 2277e H2 TIP3W3799 30.946 -46.502 43.730 0.00 0.00 WT7  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 22780  
Duplicate atom serial number found: 22781  
Duplicate atom serial number found: 22782  
Duplicate atom serial number found: 22783  
Duplicate atom serial number found: 22784  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 141195  
ATOM 2278a H2 TIP3W3803 59.984 0.489 -25.354 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 141196  
ATOM 2278b OH2 TIP3W3804 -53.544 47.563 -43.200 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 141197  
ATOM 2278c H1 TIP3W3804 -52.669 47.776 -43.525 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 141198  
ATOM 2278d H2 TIP3W3804 -53.991 48.408 -43.143 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 141199  
ATOM 2278e OH2 TIP3W3805 -58.405 10.388 53.162 0.00 0.00 WT7  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 22790  
Duplicate atom serial number found: 22791  
Duplicate atom serial number found: 22792  
Duplicate atom serial number found: 22793  
Duplicate atom serial number found: 22794  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 141211  
ATOM 2279a OH2 TIP3W3809 11.862 -19.917 -10.562 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 141212  
ATOM 2279b H1 TIP3W3809 11.267 -19.230 -10.262 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 141213  
ATOM 2279c H2 TIP3W3809 11.309 -20.693 -10.649 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 141214  
ATOM 2279d OH2 TIP3W3810 -27.231 -6.097 33.253 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 141215  
ATOM 2279e H1 TIP3W3810 -27.040 -5.171 33.403 0.00 0.00 WT7  
  
97 messages similar to the above omitted  
Duplicate atom serial number found: 22800  
Duplicate atom serial number found: 22801  
Duplicate atom serial number found: 22802  
Duplicate atom serial number found: 22803  
Duplicate atom serial number found: 22804  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 141323  
ATOM 2280a H1 TIP3W3850 22.162 -35.390 -59.484 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 141324  
ATOM 2280b H2 TIP3W3850 23.312 -34.407 -59.437 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 141325  
ATOM 2280c OH2 TIP3W3851 -20.322 -21.549 22.167 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 141326  
ATOM 2280d H1 TIP3W3851 -19.456 -21.806 21.850 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 141327  
ATOM 2280e H2 TIP3W3851 -20.818 -22.367 22.198 0.00 0.00 WT7  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 22810  
Duplicate atom serial number found: 22811  
Duplicate atom serial number found: 22812  
Duplicate atom serial number found: 22813  
Duplicate atom serial number found: 22814  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 141339  
ATOM 2281a H2 TIP3W3855 2.621 -16.803 -56.361 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 141340  
ATOM 2281b OH2 TIP3W3856 -25.414 -26.432 -44.993 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 141341  
ATOM 2281c H1 TIP3W3856 -24.983 -25.961 -45.706 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 141342  
ATOM 2281d H2 TIP3W3856 -26.324 -26.138 -45.027 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 141343  
ATOM 2281e OH2 TIP3W3857 14.464 53.516 31.899 0.00 0.00 WT7  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 22820  
Duplicate atom serial number found: 22821  
Duplicate atom serial number found: 22822  
Duplicate atom serial number found: 22823  
Duplicate atom serial number found: 22824  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 141355  
ATOM 2282a OH2 TIP3W3861 -41.265 -29.353 -23.956 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 141356  
ATOM 2282b H1 TIP3W3861 -40.667 -30.068 -23.736 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 141357  
ATOM 2282c H2 TIP3W3861 -41.397 -29.433 -24.900 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 141358  
ATOM 2282d OH2 TIP3W3862 26.770 14.224 -48.837 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 141359  
ATOM 2282e H1 TIP3W3862 26.578 13.370 -48.450 0.00 0.00 WT7  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 22830  
Duplicate atom serial number found: 22831  
Duplicate atom serial number found: 22832  
Duplicate atom serial number found: 22833  
Duplicate atom serial number found: 22834  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 141371  
ATOM 2283a H1 TIP3W3866 15.524 -26.410 52.001 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 141372  
ATOM 2283b H2 TIP3W3866 17.023 -26.542 51.834 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 141373  
ATOM 2283c OH2 TIP3W3867 46.046 -18.531 -24.101 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 141374  
ATOM 2283d H1 TIP3W3867 46.993 -18.590 -24.226 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 141375  
ATOM 2283e H2 TIP3W3867 45.676 -18.770 -24.951 0.00 0.00 WT7  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 22840  
Duplicate atom serial number found: 22841  
Duplicate atom serial number found: 22842  
Duplicate atom serial number found: 22843  
Duplicate atom serial number found: 22844  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 141387  
ATOM 2284a H2 TIP3W3874 5.950 11.515 -21.937 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 141388  
ATOM 2284b OH2 TIP3W3875 4.775 57.465 36.639 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 141389  
ATOM 2284c H1 TIP3W3875 5.067 57.281 35.746 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 141390  
ATOM 2284d H2 TIP3W3875 3.861 57.180 36.656 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 141391  
ATOM 2284e OH2 TIP3W3876 17.455 47.419 -48.651 0.00 0.00 WT7  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 22850  
Duplicate atom serial number found: 22851  
Duplicate atom serial number found: 22852  
Duplicate atom serial number found: 22853  
Duplicate atom serial number found: 22854  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 141403  
ATOM 2285a OH2 TIP3W3881 36.438 -4.413 -37.795 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 141404  
ATOM 2285b H1 TIP3W3881 36.858 -3.826 -38.424 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 141405  
ATOM 2285c H2 TIP3W3881 36.949 -4.310 -36.992 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 141406  
ATOM 2285d OH2 TIP3W3882 5.253 50.729 0.546 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 141407  
ATOM 2285e H1 TIP3W3882 5.169 50.671 -0.406 0.00 0.00 WT7  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 22860  
Duplicate atom serial number found: 22861  
Duplicate atom serial number found: 22862  
Duplicate atom serial number found: 22863  
Duplicate atom serial number found: 22864  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 141419  
ATOM 2286a H1 TIP3W3889 36.140 35.223 -38.426 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 141420  
ATOM 2286b H2 TIP3W3889 35.850 36.383 -39.356 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 141421  
ATOM 2286c OH2 TIP3W3891 19.078 43.872 -54.410 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 141422  
ATOM 2286d H1 TIP3W3891 19.468 43.188 -53.865 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 141423  
ATOM 2286e H2 TIP3W3891 19.744 44.061 -55.070 0.00 0.00 WT7  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 22870  
Duplicate atom serial number found: 22871  
Duplicate atom serial number found: 22872  
Duplicate atom serial number found: 22873  
Duplicate atom serial number found: 22874  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 141435  
ATOM 2287a H2 TIP3W3897 -0.103 25.279 -19.404 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 141436  
ATOM 2287b OH2 TIP3W3898 48.232 -30.447 22.322 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 141437  
ATOM 2287c H1 TIP3W3898 47.370 -30.042 22.417 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 141438  
ATOM 2287d H2 TIP3W3898 48.610 -30.414 23.201 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 141439  
ATOM 2287e OH2 TIP3W3899 -30.224 24.947 -21.727 0.00 0.00 WT7  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 22880  
Duplicate atom serial number found: 22881  
Duplicate atom serial number found: 22882  
Duplicate atom serial number found: 22883  
Duplicate atom serial number found: 22884  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 141451  
ATOM 2288a OH2 TIP3W3918 -2.794 -2.298 23.484 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 141452  
ATOM 2288b H1 TIP3W3918 -2.971 -2.962 24.150 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 141453  
ATOM 2288c H2 TIP3W3918 -3.629 -2.182 23.032 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 141454  
ATOM 2288d OH2 TIP3W3919 45.850 -49.906 -32.371 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 141455  
ATOM 2288e H1 TIP3W3919 45.880 -48.950 -32.393 0.00 0.00 WT7  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 22890  
Duplicate atom serial number found: 22891  
Duplicate atom serial number found: 22892  
Duplicate atom serial number found: 22893  
Duplicate atom serial number found: 22894  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 141467  
ATOM 2289a H1 TIP3W3926 15.325 10.583 11.482 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 141468  
ATOM 2289b H2 TIP3W3926 16.151 11.094 12.644 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 141469  
ATOM 2289c OH2 TIP3W3928 -55.209 -44.026 -51.072 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 141470  
ATOM 2289d H1 TIP3W3928 -55.756 -43.946 -51.853 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 141471  
ATOM 2289e H2 TIP3W3928 -55.832 -44.125 -50.352 0.00 0.00 WT7  
  
97 messages similar to the above omitted  
Duplicate atom serial number found: 22900  
Duplicate atom serial number found: 22901  
Duplicate atom serial number found: 22902  
Duplicate atom serial number found: 22903  
Duplicate atom serial number found: 22904  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 141579  
ATOM 2290a H2 TIP3W3982 8.220 -50.300 42.582 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 141580  
ATOM 2290b OH2 TIP3W3983 43.503 31.891 55.148 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 141581  
ATOM 2290c H1 TIP3W3983 43.009 31.245 54.643 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 141582  
ATOM 2290d H2 TIP3W3983 43.013 32.706 55.038 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 141583  
ATOM 2290e OH2 TIP3W3985 3.414 -12.645 8.158 0.00 0.00 WT7  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 22910  
Duplicate atom serial number found: 22911  
Duplicate atom serial number found: 22912  
Duplicate atom serial number found: 22913  
Duplicate atom serial number found: 22914  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 141595  
ATOM 2291a OH2 TIP3W3989 32.910 25.493 -19.957 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 141596  
ATOM 2291b H1 TIP3W3989 32.780 24.889 -19.225 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 141597  
ATOM 2291c H2 TIP3W3989 32.739 26.359 -19.587 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 141598  
ATOM 2291d OH2 TIP3W3991 15.053 -20.716 18.938 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 141599  
ATOM 2291e H1 TIP3W3991 15.742 -21.022 19.529 0.00 0.00 WT7  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 22920  
Duplicate atom serial number found: 22921  
Duplicate atom serial number found: 22922  
Duplicate atom serial number found: 22923  
Duplicate atom serial number found: 22924  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 141611  
ATOM 2292a H1 TIP3W3996 31.177 26.870 26.873 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 141612  
ATOM 2292b H2 TIP3W3996 31.834 27.095 28.218 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 141613  
ATOM 2292c OH2 TIP3W3997 -48.671 -6.210 28.312 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 141614  
ATOM 2292d H1 TIP3W3997 -48.451 -5.934 27.423 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 141615  
ATOM 2292e H2 TIP3W3997 -48.229 -7.052 28.418 0.00 0.00 WT7  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 22930  
Duplicate atom serial number found: 22931  
Duplicate atom serial number found: 22932  
Duplicate atom serial number found: 22933  
Duplicate atom serial number found: 22934  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 141627  
ATOM 2293a H2 TIP3W4001 -23.314 -20.567 -7.066 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 141628  
ATOM 2293b OH2 TIP3W4002 -47.264 -42.282 23.678 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 141629  
ATOM 2293c H1 TIP3W4002 -47.107 -42.450 22.749 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 141630  
ATOM 2293d H2 TIP3W4002 -46.601 -42.802 24.132 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 141631  
ATOM 2293e OH2 TIP3W4003 3.201 -41.541 37.336 0.00 0.00 WT7  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 22940  
Duplicate atom serial number found: 22941  
Duplicate atom serial number found: 22942  
Duplicate atom serial number found: 22943  
Duplicate atom serial number found: 22944  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 141643  
ATOM 2294a OH2 TIP3W4007 -41.577 -10.152 -12.160 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 141644  
ATOM 2294b H1 TIP3W4007 -41.984 -11.001 -12.335 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 141645  
ATOM 2294c H2 TIP3W4007 -42.111 -9.768 -11.465 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 141646  
ATOM 2294d OH2 TIP3W4008 -42.117 -44.853 -11.653 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 141647  
ATOM 2294e H1 TIP3W4008 -42.155 -45.809 -11.661 0.00 0.00 WT7  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 22950  
Duplicate atom serial number found: 22951  
Duplicate atom serial number found: 22952  
Duplicate atom serial number found: 22953  
Duplicate atom serial number found: 22954  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 141659  
ATOM 2295a H1 TIP3W4012 17.206 -53.351 48.710 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 141660  
ATOM 2295b H2 TIP3W4012 17.074 -52.854 50.134 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 141661  
ATOM 2295c OH2 TIP3W4013 20.927 -13.401 21.319 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 141662  
ATOM 2295d H1 TIP3W4013 21.475 -13.011 20.638 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 141663  
ATOM 2295e H2 TIP3W4013 20.132 -12.867 21.324 0.00 0.00 WT7  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 22960  
Duplicate atom serial number found: 22961  
Duplicate atom serial number found: 22962  
Duplicate atom serial number found: 22963  
Duplicate atom serial number found: 22964  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 141675  
ATOM 2296a H2 TIP3W4017 60.460 -6.732 40.306 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 141676  
ATOM 2296b OH2 TIP3W4018 -39.141 49.973 -15.651 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 141677  
ATOM 2296c H1 TIP3W4018 -39.585 49.717 -14.842 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 141678  
ATOM 2296d H2 TIP3W4018 -38.299 49.520 -15.616 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 141679  
ATOM 2296e OH2 TIP3W4019 58.552 26.612 -39.879 0.00 0.00 WT7  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 22970  
Duplicate atom serial number found: 22971  
Duplicate atom serial number found: 22972  
Duplicate atom serial number found: 22973  
Duplicate atom serial number found: 22974  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 141691  
ATOM 2297a OH2 TIP3W4023 -44.284 24.617 -54.224 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 141692  
ATOM 2297b H1 TIP3W4023 -43.773 24.527 -53.420 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 141693  
ATOM 2297c H2 TIP3W4023 -43.745 24.206 -54.900 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 141694  
ATOM 2297d OH2 TIP3W4025 35.845 -48.751 11.580 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 141695  
ATOM 2297e H1 TIP3W4025 36.023 -48.480 12.481 0.00 0.00 WT7  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 22980  
Duplicate atom serial number found: 22981  
Duplicate atom serial number found: 22982  
Duplicate atom serial number found: 22983  
Duplicate atom serial number found: 22984  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 141707  
ATOM 2298a H1 TIP3W4031 -22.364 45.423 -31.156 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 141708  
ATOM 2298b H2 TIP3W4031 -23.566 44.538 -31.412 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 141709  
ATOM 2298c OH2 TIP3W4032 19.736 -56.780 -18.555 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 141710  
ATOM 2298d H1 TIP3W4032 20.141 -56.795 -19.422 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 141711  
ATOM 2298e H2 TIP3W4032 19.159 -56.017 -18.572 0.00 0.00 WT7  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 22990  
Duplicate atom serial number found: 22991  
Duplicate atom serial number found: 22992  
Duplicate atom serial number found: 22993  
Duplicate atom serial number found: 22994  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 141723  
ATOM 2299a H2 TIP3W4036 17.609 48.149 12.467 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 141724  
ATOM 2299b OH2 TIP3W4037 29.872 24.003 -24.479 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 141725  
ATOM 2299c H1 TIP3W4037 30.253 24.174 -25.340 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 141726  
ATOM 2299d H2 TIP3W4037 30.534 24.308 -23.858 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 141727  
ATOM 2299e OH2 TIP3W4038 -18.536 31.321 11.960 0.00 0.00 WT7  
  
1633 messages similar to the above omitted  
Duplicate atom serial number found: 23000  
Duplicate atom serial number found: 23001  
Duplicate atom serial number found: 23002  
Duplicate atom serial number found: 23003  
Duplicate atom serial number found: 23004  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 143371  
ATOM 2300a OH2 TIP3W4707 35.243 -52.472 2.991 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 143372  
ATOM 2300b H1 TIP3W4707 34.891 -51.805 2.402 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 143373  
ATOM 2300c H2 TIP3W4707 36.185 -52.302 3.011 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 143374  
ATOM 2300d OH2 TIP3W4708 15.646 16.849 -58.438 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 143375  
ATOM 2300e H1 TIP3W4708 15.768 17.043 -59.368 0.00 0.00 WT7  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 23010  
Duplicate atom serial number found: 23011  
Duplicate atom serial number found: 23012  
Duplicate atom serial number found: 23013  
Duplicate atom serial number found: 23014  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 143387  
ATOM 2301a H1 TIP3W4713 38.160 -38.686 -1.754 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 143388  
ATOM 2301b H2 TIP3W4713 38.274 -38.873 -0.256 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 143389  
ATOM 2301c OH2 TIP3W4714 -4.531 16.170 -42.883 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 143390  
ATOM 2301d H1 TIP3W4714 -4.136 16.762 -43.524 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 143391  
ATOM 2301e H2 TIP3W4714 -5.473 16.258 -43.025 0.00 0.00 WT7  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 23020  
Duplicate atom serial number found: 23021  
Duplicate atom serial number found: 23022  
Duplicate atom serial number found: 23023  
Duplicate atom serial number found: 23024  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 143403  
ATOM 2302a H2 TIP3W4718 -0.532 -24.717 -16.210 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 143404  
ATOM 2302b OH2 TIP3W4719 54.214 -39.466 -37.554 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 143405  
ATOM 2302c H1 TIP3W4719 53.262 -39.561 -37.511 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 143406  
ATOM 2302d H2 TIP3W4719 54.352 -38.601 -37.940 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 143407  
ATOM 2302e OH2 TIP3W4720 -41.187 30.364 17.664 0.00 0.00 WT7  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 23030  
Duplicate atom serial number found: 23031  
Duplicate atom serial number found: 23032  
Duplicate atom serial number found: 23033  
Duplicate atom serial number found: 23034  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 143419  
ATOM 2303a OH2 TIP3W4725 35.195 22.968 57.642 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 143420  
ATOM 2303b H1 TIP3W4725 34.895 22.089 57.411 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 143421  
ATOM 2303c H2 TIP3W4725 35.259 23.427 56.804 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 143422  
ATOM 2303d OH2 TIP3W4726 -50.185 4.353 23.670 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 143423  
ATOM 2303e H1 TIP3W4726 -49.872 4.482 22.775 0.00 0.00 WT7  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 23040  
Duplicate atom serial number found: 23041  
Duplicate atom serial number found: 23042  
Duplicate atom serial number found: 23043  
Duplicate atom serial number found: 23044  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 143435  
ATOM 2304a H1 TIP3W4733 50.885 0.790 32.363 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 143436  
ATOM 2304b H2 TIP3W4733 52.028 -0.200 32.296 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 143437  
ATOM 2304c OH2 TIP3W4734 25.545 -22.175 38.465 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 143438  
ATOM 2304d H1 TIP3W4734 25.201 -21.794 37.657 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 143439  
ATOM 2304e H2 TIP3W4734 26.399 -22.531 38.218 0.00 0.00 WT7  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 23050  
Duplicate atom serial number found: 23051  
Duplicate atom serial number found: 23052  
Duplicate atom serial number found: 23053  
Duplicate atom serial number found: 23054  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 143451  
ATOM 2305a H2 TIP3W4740 26.608 -31.830 39.880 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 143452  
ATOM 2305b OH2 TIP3W4742 20.817 27.990 51.624 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 143453  
ATOM 2305c H1 TIP3W4742 21.037 27.934 52.554 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 143454  
ATOM 2305d H2 TIP3W4742 20.518 28.891 51.502 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 143455  
ATOM 2305e OH2 TIP3W4743 -34.985 -25.812 12.957 0.00 0.00 WT7  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 23060  
Duplicate atom serial number found: 23061  
Duplicate atom serial number found: 23062  
Duplicate atom serial number found: 23063  
Duplicate atom serial number found: 23064  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 143467  
ATOM 2306a OH2 TIP3W4750 -8.760 -59.248 -55.543 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 143468  
ATOM 2306b H1 TIP3W4750 -9.503 -59.586 -56.043 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 143469  
ATOM 2306c H2 TIP3W4750 -8.583 -58.389 -55.926 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 143470  
ATOM 2306d OH2 TIP3W4751 25.497 10.444 37.960 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 143471  
ATOM 2306e H1 TIP3W4751 26.131 10.618 38.657 0.00 0.00 WT7  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 23070  
Duplicate atom serial number found: 23071  
Duplicate atom serial number found: 23072  
Duplicate atom serial number found: 23073  
Duplicate atom serial number found: 23074  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 143483  
ATOM 2307a H1 TIP3W4757 -25.649 18.881 -8.746 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 143484  
ATOM 2307b H2 TIP3W4757 -26.081 19.192 -7.329 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 143485  
ATOM 2307c OH2 TIP3W4758 -35.893 53.574 -6.711 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 143486  
ATOM 2307d H1 TIP3W4758 -35.878 53.353 -7.642 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 143487  
ATOM 2307e H2 TIP3W4758 -36.241 54.466 -6.682 0.00 0.00 WT7  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 23080  
Duplicate atom serial number found: 23081  
Duplicate atom serial number found: 23082  
Duplicate atom serial number found: 23083  
Duplicate atom serial number found: 23084  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 143499  
ATOM 2308a H2 TIP3W4764 -8.470 44.304 -30.273 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 143500  
ATOM 2308b OH2 TIP3W4768 29.407 -46.373 40.552 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 143501  
ATOM 2308c H1 TIP3W4768 28.790 -45.931 41.136 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 143502  
ATOM 2308d H2 TIP3W4768 29.551 -45.751 39.839 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 143503  
ATOM 2308e OH2 TIP3W4769 -5.921 18.310 0.201 0.00 0.00 WT7  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 23090  
Duplicate atom serial number found: 23091  
Duplicate atom serial number found: 23092  
Duplicate atom serial number found: 23093  
Duplicate atom serial number found: 23094  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 143515  
ATOM 2309a OH2 TIP3W4774 25.592 -35.112 -16.679 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 143516  
ATOM 2309b H1 TIP3W4774 25.636 -34.337 -17.239 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 143517  
ATOM 2309c H2 TIP3W4774 26.196 -34.923 -15.960 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 143518  
ATOM 2309d OH2 TIP3W4775 -16.166 11.118 -22.939 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 143519  
ATOM 2309e H1 TIP3W4775 -16.169 12.040 -23.198 0.00 0.00 WT7  
  
97 messages similar to the above omitted  
Duplicate atom serial number found: 23100  
Duplicate atom serial number found: 23101  
Duplicate atom serial number found: 23102  
Duplicate atom serial number found: 23103  
Duplicate atom serial number found: 23104  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 143627  
ATOM 2310a H1 TIP3W4837 -37.249 10.487 -36.125 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 143628  
ATOM 2310b H2 TIP3W4837 -37.721 10.427 -37.562 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 143629  
ATOM 2310c OH2 TIP3W4842 0.938 -34.435 -55.264 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 143630  
ATOM 2310d H1 TIP3W4842 0.378 -34.148 -55.985 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 143631  
ATOM 2310e H2 TIP3W4842 1.689 -33.843 -55.293 0.00 0.00 WT7  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 23110  
Duplicate atom serial number found: 23111  
Duplicate atom serial number found: 23112  
Duplicate atom serial number found: 23113  
Duplicate atom serial number found: 23114  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 143643  
ATOM 2311a H2 TIP3W4849 9.309 -32.017 -19.832 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 143644  
ATOM 2311b OH2 TIP3W4850 36.986 19.744 6.054 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 143645  
ATOM 2311c H1 TIP3W4850 36.777 19.486 5.157 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 143646  
ATOM 2311d H2 TIP3W4850 36.168 19.622 6.536 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 143647  
ATOM 2311e OH2 TIP3W4851 11.221 -29.672 -32.449 0.00 0.00 WT7  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 23120  
Duplicate atom serial number found: 23121  
Duplicate atom serial number found: 23122  
Duplicate atom serial number found: 23123  
Duplicate atom serial number found: 23124  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 143659  
ATOM 2312a OH2 TIP3W4857 44.100 49.899 -35.449 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 143660  
ATOM 2312b H1 TIP3W4857 43.772 49.532 -36.269 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 143661  
ATOM 2312c H2 TIP3W4857 43.767 49.310 -34.772 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 143662  
ATOM 2312d OH2 TIP3W4860 54.571 60.856 4.816 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 143663  
ATOM 2312e H1 TIP3W4860 53.664 60.560 4.899 0.00 0.00 WT7  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 23130  
Duplicate atom serial number found: 23131  
Duplicate atom serial number found: 23132  
Duplicate atom serial number found: 23133  
Duplicate atom serial number found: 23134  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 143675  
ATOM 2313a H1 TIP3W4866 26.342 -15.931 58.859 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 143676  
ATOM 2313b H2 TIP3W4866 25.392 -16.132 57.697 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 143677  
ATOM 2313c OH2 TIP3W4869 59.048 12.860 24.944 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 143678  
ATOM 2313d H1 TIP3W4869 59.492 13.679 25.162 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 143679  
ATOM 2313e H2 TIP3W4869 59.592 12.467 24.261 0.00 0.00 WT7  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 23140  
Duplicate atom serial number found: 23141  
Duplicate atom serial number found: 23142  
Duplicate atom serial number found: 23143  
Duplicate atom serial number found: 23144  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 143691  
ATOM 2314a H2 TIP3W4874 32.149 -51.079 -61.484 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 143692  
ATOM 2314b OH2 TIP3W4877 16.464 -31.576 -59.352 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 143693  
ATOM 2314c H1 TIP3W4877 16.146 -31.318 -58.487 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 143694  
ATOM 2314d H2 TIP3W4877 16.712 -30.752 -59.772 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 143695  
ATOM 2314e OH2 TIP3W4880 13.684 13.704 -44.286 0.00 0.00 WT7  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 23150  
Duplicate atom serial number found: 23151  
Duplicate atom serial number found: 23152  
Duplicate atom serial number found: 23153  
Duplicate atom serial number found: 23154  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 143707  
ATOM 2315a OH2 TIP3W4886 48.519 -6.686 39.350 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 143708  
ATOM 2315b H1 TIP3W4886 49.471 -6.661 39.445 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 143709  
ATOM 2315c H2 TIP3W4886 48.366 -7.295 38.627 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 143710  
ATOM 2315d OH2 TIP3W4887 -59.103 -59.231 -19.776 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 143711  
ATOM 2315e H1 TIP3W4887 -58.859 -58.379 -19.416 0.00 0.00 WT7  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 23160  
Duplicate atom serial number found: 23161  
Duplicate atom serial number found: 23162  
Duplicate atom serial number found: 23163  
Duplicate atom serial number found: 23164  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 143723  
ATOM 2316a H1 TIP3W4893 -35.276 4.923 -3.176 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 143724  
ATOM 2316b H2 TIP3W4893 -34.838 6.214 -2.518 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 143725  
ATOM 2316c OH2 TIP3W4894 11.490 56.505 40.698 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 143726  
ATOM 2316d H1 TIP3W4894 12.443 56.440 40.744 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 143727  
ATOM 2316e H2 TIP3W4894 11.311 56.803 39.806 0.00 0.00 WT7  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 23170  
Duplicate atom serial number found: 23171  
Duplicate atom serial number found: 23172  
Duplicate atom serial number found: 23173  
Duplicate atom serial number found: 23174  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 143739  
ATOM 2317a H2 TIP3W4898 -48.060 16.368 54.365 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 143740  
ATOM 2317b OH2 TIP3W4899 32.161 49.544 21.797 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 143741  
ATOM 2317c H1 TIP3W4899 32.172 50.500 21.825 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 143742  
ATOM 2317d H2 TIP3W4899 31.266 49.307 22.043 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 143743  
ATOM 2317e OH2 TIP3W4900 28.967 21.981 58.095 0.00 0.00 WT7  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 23180  
Duplicate atom serial number found: 23181  
Duplicate atom serial number found: 23182  
Duplicate atom serial number found: 23183  
Duplicate atom serial number found: 23184  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 143755  
ATOM 2318a OH2 TIP3W4905 -50.970 22.207 21.927 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 143756  
ATOM 2318b H1 TIP3W4905 -50.648 23.105 22.010 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 143757  
ATOM 2318c H2 TIP3W4905 -51.522 22.078 22.697 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 143758  
ATOM 2318d OH2 TIP3W4906 -9.226 30.977 -17.565 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 143759  
ATOM 2318e H1 TIP3W4906 -8.745 30.292 -17.102 0.00 0.00 WT7  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 23190  
Duplicate atom serial number found: 23191  
Duplicate atom serial number found: 23192  
Duplicate atom serial number found: 23193  
Duplicate atom serial number found: 23194  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 143771  
ATOM 2319a H1 TIP3W4911 35.062 -36.863 5.230 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 143772  
ATOM 2319b H2 TIP3W4911 34.269 -35.647 4.802 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 143773  
ATOM 2319c OH2 TIP3W4912 -24.650 53.319 -54.802 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 143774  
ATOM 2319d H1 TIP3W4912 -23.731 53.051 -54.830 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 143775  
ATOM 2319e H2 TIP3W4912 -24.740 53.780 -53.968 0.00 0.00 WT7  
  
97 messages similar to the above omitted  
Duplicate atom serial number found: 23200  
Duplicate atom serial number found: 23201  
Duplicate atom serial number found: 23202  
Duplicate atom serial number found: 23203  
Duplicate atom serial number found: 23204  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 143883  
ATOM 2320a H2 TIP3W4952 33.615 36.944 22.752 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 143884  
ATOM 2320b OH2 TIP3W4953 29.484 -9.299 -52.444 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 143885  
ATOM 2320c H1 TIP3W4953 29.028 -9.869 -51.826 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 143886  
ATOM 2320d H2 TIP3W4953 30.221 -8.945 -51.945 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 143887  
ATOM 2320e OH2 TIP3W4954 38.928 -42.591 -20.534 0.00 0.00 WT7  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 23210  
Duplicate atom serial number found: 23211  
Duplicate atom serial number found: 23212  
Duplicate atom serial number found: 23213  
Duplicate atom serial number found: 23214  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 143899  
ATOM 2321a OH2 TIP3W4958 14.636 -57.106 -21.678 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 143900  
ATOM 2321b H1 TIP3W4958 14.771 -57.905 -21.168 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 143901  
ATOM 2321c H2 TIP3W4958 14.817 -56.395 -21.064 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 143902  
ATOM 2321d OH2 TIP3W4959 29.624 -37.581 -58.560 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 143903  
ATOM 2321e H1 TIP3W4959 30.370 -37.972 -59.015 0.00 0.00 WT7  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 23220  
Duplicate atom serial number found: 23221  
Duplicate atom serial number found: 23222  
Duplicate atom serial number found: 23223  
Duplicate atom serial number found: 23224  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 143915  
ATOM 2322a H1 TIP3W4963 -53.198 -9.998 46.209 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 143916  
ATOM 2322b H2 TIP3W4963 -53.039 -8.561 46.659 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 143917  
ATOM 2322c OH2 TIP3W4964 5.424 29.907 20.307 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 143918  
ATOM 2322d H1 TIP3W4964 4.678 29.490 20.738 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 143919  
ATOM 2322e H2 TIP3W4964 6.160 29.320 20.483 0.00 0.00 WT7  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 23230  
Duplicate atom serial number found: 23231  
Duplicate atom serial number found: 23232  
Duplicate atom serial number found: 23233  
Duplicate atom serial number found: 23234  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 143931  
ATOM 2323a H2 TIP3W4969 1.306 9.689 -23.331 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 143932  
ATOM 2323b OH2 TIP3W4970 25.258 -49.002 -45.962 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 143933  
ATOM 2323c H1 TIP3W4970 25.245 -48.102 -45.637 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 143934  
ATOM 2323d H2 TIP3W4970 24.506 -49.056 -46.552 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 143935  
ATOM 2323e OH2 TIP3W4971 18.327 34.129 4.808 0.00 0.00 WT7  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 23240  
Duplicate atom serial number found: 23241  
Duplicate atom serial number found: 23242  
Duplicate atom serial number found: 23243  
Duplicate atom serial number found: 23244  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 143947  
ATOM 2324a OH2 TIP3W4975 21.881 4.442 -1.175 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 143948  
ATOM 2324b H1 TIP3W4975 21.611 4.992 -1.910 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 143949  
ATOM 2324c H2 TIP3W4975 22.696 4.033 -1.468 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 143950  
ATOM 2324d OH2 TIP3W4976 30.963 28.293 -33.921 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 143951  
ATOM 2324e H1 TIP3W4976 31.632 27.637 -34.119 0.00 0.00 WT7  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 23250  
Duplicate atom serial number found: 23251  
Duplicate atom serial number found: 23252  
Duplicate atom serial number found: 23253  
Duplicate atom serial number found: 23254  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 143963  
ATOM 2325a H1 TIP3W4980 55.967 -53.507 -33.540 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 143964  
ATOM 2325b H2 TIP3W4980 55.464 -54.925 -33.368 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 143965  
ATOM 2325c OH2 TIP3W4981 -10.915 54.515 38.460 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 143966  
ATOM 2325d H1 TIP3W4981 -11.409 54.255 37.683 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 143967  
ATOM 2325e H2 TIP3W4981 -11.007 53.776 39.062 0.00 0.00 WT7  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 23260  
Duplicate atom serial number found: 23261  
Duplicate atom serial number found: 23262  
Duplicate atom serial number found: 23263  
Duplicate atom serial number found: 23264  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 143979  
ATOM 2326a H2 TIP3W4985 -54.678 34.555 -9.676 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 143980  
ATOM 2326b OH2 TIP3W4986 -45.847 -11.604 -58.909 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 143981  
ATOM 2326c H1 TIP3W4986 -46.614 -11.743 -59.465 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 143982  
ATOM 2326d H2 TIP3W4986 -45.210 -12.251 -59.214 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 143983  
ATOM 2326e OH2 TIP3W4987 -23.650 21.201 48.303 0.00 0.00 WT7  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 23270  
Duplicate atom serial number found: 23271  
Duplicate atom serial number found: 23272  
Duplicate atom serial number found: 23273  
Duplicate atom serial number found: 23274  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 143995  
ATOM 2327a OH2 TIP3W4992 27.415 21.281 17.042 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 143996  
ATOM 2327b H1 TIP3W4992 26.636 20.736 16.930 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 143997  
ATOM 2327c H2 TIP3W4992 27.285 21.715 17.885 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 143998  
ATOM 2327d OH2 TIP3W4993 -59.700 -29.395 59.929 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 143999  
ATOM 2327e H1 TIP3W4993 -59.182 -28.628 60.174 0.00 0.00 WT7  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 23280  
Duplicate atom serial number found: 23281  
Duplicate atom serial number found: 23282  
Duplicate atom serial number found: 23283  
Duplicate atom serial number found: 23284  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 144011  
ATOM 2328a H1 TIP3W4997 34.408 31.761 24.064 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 144012  
ATOM 2328b H2 TIP3W4997 33.464 32.877 24.458 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 144013  
ATOM 2328c OH2 TIP3W4998 -9.794 -1.988 -58.114 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 144014  
ATOM 2328d H1 TIP3W4998 -10.060 -1.523 -57.320 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 144015  
ATOM 2328e H2 TIP3W4998 -9.261 -2.717 -57.798 0.00 0.00 WT7  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 23290  
Duplicate atom serial number found: 23291  
Duplicate atom serial number found: 23292  
Duplicate atom serial number found: 23293  
Duplicate atom serial number found: 23294  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 144027  
ATOM 2329a H2 TIP3W5002 -26.082 36.975 9.315 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 144028  
ATOM 2329b OH2 TIP3W5003 -21.468 48.498 30.495 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 144029  
ATOM 2329c H1 TIP3W5003 -20.749 47.868 30.453 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 144030  
ATOM 2329d H2 TIP3W5003 -21.230 49.086 31.212 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 144031  
ATOM 2329e OH2 TIP3W5004 -1.863 29.962 -8.643 0.00 0.00 WT7  
  
97 messages similar to the above omitted  
Duplicate atom serial number found: 23300  
Duplicate atom serial number found: 23301  
Duplicate atom serial number found: 23302  
Duplicate atom serial number found: 23303  
Duplicate atom serial number found: 23304  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 144139  
ATOM 2330a OH2 TIP3W5041 1.036 -2.818 53.591 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 144140  
ATOM 2330b H1 TIP3W5041 1.603 -3.560 53.804 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 144141  
ATOM 2330c H2 TIP3W5041 0.347 -3.193 53.043 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 144142  
ATOM 2330d OH2 TIP3W5042 -39.693 -30.021 34.375 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 144143  
ATOM 2330e H1 TIP3W5042 -38.894 -30.280 33.915 0.00 0.00 WT7  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 23310  
Duplicate atom serial number found: 23311  
Duplicate atom serial number found: 23312  
Duplicate atom serial number found: 23313  
Duplicate atom serial number found: 23314  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 144155  
ATOM 2331a H1 TIP3W5046 -1.922 -44.074 -36.134 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 144156  
ATOM 2331b H2 TIP3W5046 -1.164 -43.463 -37.293 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 144157  
ATOM 2331c OH2 TIP3W5047 33.971 -42.887 26.699 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 144158  
ATOM 2331d H1 TIP3W5047 33.779 -42.463 25.862 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 144159  
ATOM 2331e H2 TIP3W5047 34.801 -43.340 26.553 0.00 0.00 WT7  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 23320  
Duplicate atom serial number found: 23321  
Duplicate atom serial number found: 23322  
Duplicate atom serial number found: 23323  
Duplicate atom serial number found: 23324  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 144171  
ATOM 2332a H2 TIP3W5052 56.947 22.762 -14.629 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 144172  
ATOM 2332b OH2 TIP3W5053 28.278 -43.022 -39.412 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 144173  
ATOM 2332c H1 TIP3W5053 27.751 -42.841 -38.634 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 144174  
ATOM 2332d H2 TIP3W5053 28.031 -42.338 -40.034 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 144175  
ATOM 2332e OH2 TIP3W5054 35.831 23.120 43.267 0.00 0.00 WT7  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 23330  
Duplicate atom serial number found: 23331  
Duplicate atom serial number found: 23332  
Duplicate atom serial number found: 23333  
Duplicate atom serial number found: 23334  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 144187  
ATOM 2333a OH2 TIP3W5058 -28.892 -20.349 -49.595 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 144188  
ATOM 2333b H1 TIP3W5058 -29.072 -21.288 -49.557 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 144189  
ATOM 2333c H2 TIP3W5058 -28.003 -20.288 -49.944 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 144190  
ATOM 2333d OH2 TIP3W5059 8.977 17.110 40.757 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 144191  
ATOM 2333e H1 TIP3W5059 8.369 16.759 41.408 0.00 0.00 WT7  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 23340  
Duplicate atom serial number found: 23341  
Duplicate atom serial number found: 23342  
Duplicate atom serial number found: 23343  
Duplicate atom serial number found: 23344  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 144203  
ATOM 2334a H1 TIP3W5063 40.297 -47.491 -53.900 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 144204  
ATOM 2334b H2 TIP3W5063 40.975 -48.473 -52.968 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 144205  
ATOM 2334c OH2 TIP3W5064 -53.241 -27.982 32.742 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 144206  
ATOM 2334d H1 TIP3W5064 -53.253 -27.483 31.925 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 144207  
ATOM 2334e H2 TIP3W5064 -54.098 -27.819 33.136 0.00 0.00 WT7  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 23350  
Duplicate atom serial number found: 23351  
Duplicate atom serial number found: 23352  
Duplicate atom serial number found: 23353  
Duplicate atom serial number found: 23354  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 144219  
ATOM 2335a H2 TIP3W5068 -30.101 29.774 -35.646 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 144220  
ATOM 2335b OH2 TIP3W5069 0.024 -58.180 22.308 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 144221  
ATOM 2335c H1 TIP3W5069 0.363 -57.745 21.526 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 144222  
ATOM 2335d H2 TIP3W5069 0.015 -57.497 22.979 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 144223  
ATOM 2335e OH2 TIP3W5070 5.511 -31.164 -25.510 0.00 0.00 WT7  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 23360  
Duplicate atom serial number found: 23361  
Duplicate atom serial number found: 23362  
Duplicate atom serial number found: 23363  
Duplicate atom serial number found: 23364  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 144235  
ATOM 2336a OH2 TIP3W5075 -49.964 -3.389 58.049 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 144236  
ATOM 2336b H1 TIP3W5075 -49.362 -2.862 58.574 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 144237  
ATOM 2336c H2 TIP3W5075 -50.834 -3.160 58.377 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 144238  
ATOM 2336d OH2 TIP3W5076 -28.287 4.221 -30.051 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 144239  
ATOM 2336e H1 TIP3W5076 -27.761 3.475 -30.338 0.00 0.00 WT7  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 23370  
Duplicate atom serial number found: 23371  
Duplicate atom serial number found: 23372  
Duplicate atom serial number found: 23373  
Duplicate atom serial number found: 23374  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 144251  
ATOM 2337a H1 TIP3W5080 32.602 3.561 -0.041 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 144252  
ATOM 2337b H2 TIP3W5080 32.648 2.522 1.059 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 144253  
ATOM 2337c OH2 TIP3W5081 23.217 -28.183 58.537 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 144254  
ATOM 2337d H1 TIP3W5081 23.236 -27.509 59.217 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 144255  
ATOM 2337e H2 TIP3W5081 23.369 -29.003 59.008 0.00 0.00 WT7  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 23380  
Duplicate atom serial number found: 23381  
Duplicate atom serial number found: 23382  
Duplicate atom serial number found: 23383  
Duplicate atom serial number found: 23384  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 144267  
ATOM 2338a H2 TIP3W5086 37.630 -31.484 -45.912 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 144268  
ATOM 2338b OH2 TIP3W5087 4.131 31.760 59.811 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 144269  
ATOM 2338c H1 TIP3W5087 3.177 31.756 59.891 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 144270  
ATOM 2338d H2 TIP3W5087 4.411 32.527 60.310 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 144271  
ATOM 2338e OH2 TIP3W5088 45.593 24.545 -55.229 0.00 0.00 WT7  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 23390  
Duplicate atom serial number found: 23391  
Duplicate atom serial number found: 23392  
Duplicate atom serial number found: 23393  
Duplicate atom serial number found: 23394  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 144283  
ATOM 2339a OH2 TIP3W5093 -1.351 20.022 15.821 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 144284  
ATOM 2339b H1 TIP3W5093 -1.256 19.076 15.709 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 144285  
ATOM 2339c H2 TIP3W5093 -1.685 20.126 16.712 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 144286  
ATOM 2339d OH2 TIP3W5094 -2.998 -45.714 -56.398 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 144287  
ATOM 2339e H1 TIP3W5094 -2.452 -44.939 -56.264 0.00 0.00 WT7  
  
97 messages similar to the above omitted  
Duplicate atom serial number found: 23400  
Duplicate atom serial number found: 23401  
Duplicate atom serial number found: 23402  
Duplicate atom serial number found: 23403  
Duplicate atom serial number found: 23404  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 144395  
ATOM 2340a H1 TIP3W5131 38.705 9.806 6.694 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 144396  
ATOM 2340b H2 TIP3W5131 39.035 8.710 7.684 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 144397  
ATOM 2340c OH2 TIP3W5132 -33.272 -51.371 -20.658 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 144398  
ATOM 2340d H1 TIP3W5132 -32.320 -51.381 -20.551 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 144399  
ATOM 2340e H2 TIP3W5132 -33.420 -50.830 -21.434 0.00 0.00 WT7  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 23410  
Duplicate atom serial number found: 23411  
Duplicate atom serial number found: 23412  
Duplicate atom serial number found: 23413  
Duplicate atom serial number found: 23414  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 144411  
ATOM 2341a H2 TIP3W5136 11.523 -8.533 -12.797 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 144412  
ATOM 2341b OH2 TIP3W5137 24.277 -60.719 10.129 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 144413  
ATOM 2341c H1 TIP3W5137 23.862 -59.892 10.377 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 144414  
ATOM 2341d H2 TIP3W5137 25.132 -60.463 9.784 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 144415  
ATOM 2341e OH2 TIP3W5138 -29.851 -5.848 32.446 0.00 0.00 WT7  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 23420  
Duplicate atom serial number found: 23421  
Duplicate atom serial number found: 23422  
Duplicate atom serial number found: 23423  
Duplicate atom serial number found: 23424  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 144427  
ATOM 2342a OH2 TIP3W5143 -2.634 61.269 57.431 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 144428  
ATOM 2342b H1 TIP3W5143 -3.035 60.832 56.679 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 144429  
ATOM 2342c H2 TIP3W5143 -1.761 60.882 57.496 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 144430  
ATOM 2342d OH2 TIP3W5144 -30.234 -53.459 -11.771 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 144431  
ATOM 2342e H1 TIP3W5144 -30.210 -54.049 -12.525 0.00 0.00 WT7  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 23430  
Duplicate atom serial number found: 23431  
Duplicate atom serial number found: 23432  
Duplicate atom serial number found: 23433  
Duplicate atom serial number found: 23434  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 144443  
ATOM 2343a H1 TIP3W5150 51.380 22.442 -18.420 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 144444  
ATOM 2343b H2 TIP3W5150 52.812 22.750 -18.040 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 144445  
ATOM 2343c OH2 TIP3W5151 8.460 -48.191 7.776 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 144446  
ATOM 2343d H1 TIP3W5151 8.082 -48.052 6.907 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 144447  
ATOM 2343e H2 TIP3W5151 8.637 -49.131 7.813 0.00 0.00 WT7  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 23440  
Duplicate atom serial number found: 23441  
Duplicate atom serial number found: 23442  
Duplicate atom serial number found: 23443  
Duplicate atom serial number found: 23444  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 144459  
ATOM 2344a H2 TIP3W5155 39.661 31.829 -23.924 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 144460  
ATOM 2344b OH2 TIP3W5158 -19.525 -8.191 15.899 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 144461  
ATOM 2344c H1 TIP3W5158 -20.071 -7.579 15.406 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 144462  
ATOM 2344d H2 TIP3W5158 -18.762 -8.335 15.340 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 144463  
ATOM 2344e OH2 TIP3W5159 -48.202 -29.791 30.657 0.00 0.00 WT7  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 23450  
Duplicate atom serial number found: 23451  
Duplicate atom serial number found: 23452  
Duplicate atom serial number found: 23453  
Duplicate atom serial number found: 23454  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 144475  
ATOM 2345a OH2 TIP3W5163 5.066 17.776 6.198 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 144476  
ATOM 2345b H1 TIP3W5163 4.619 18.468 6.684 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 144477  
ATOM 2345c H2 TIP3W5163 5.848 17.586 6.716 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 144478  
ATOM 2345d OH2 TIP3W5164 -16.512 -29.348 -46.620 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 144479  
ATOM 2345e H1 TIP3W5164 -16.673 -28.429 -46.835 0.00 0.00 WT7  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 23460  
Duplicate atom serial number found: 23461  
Duplicate atom serial number found: 23462  
Duplicate atom serial number found: 23463  
Duplicate atom serial number found: 23464  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 144491  
ATOM 2346a H1 TIP3W5169 39.364 -18.563 -56.226 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 144492  
ATOM 2346b H2 TIP3W5169 39.656 -17.475 -55.215 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 144493  
ATOM 2346c OH2 TIP3W5170 -45.837 -38.813 -25.061 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 144494  
ATOM 2346d H1 TIP3W5170 -45.269 -38.534 -25.780 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 144495  
ATOM 2346e H2 TIP3W5170 -45.475 -39.654 -24.781 0.00 0.00 WT7  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 23470  
Duplicate atom serial number found: 23471  
Duplicate atom serial number found: 23472  
Duplicate atom serial number found: 23473  
Duplicate atom serial number found: 23474  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 144507  
ATOM 2347a H2 TIP3W5175 -8.559 -45.242 -1.869 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 144508  
ATOM 2347b OH2 TIP3W5176 0.166 0.902 46.217 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 144509  
ATOM 2347c H1 TIP3W5176 -0.125 0.676 47.101 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 144510  
ATOM 2347d H2 TIP3W5176 0.040 0.100 45.711 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 144511  
ATOM 2347e OH2 TIP3W5177 43.522 37.885 1.410 0.00 0.00 WT7  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 23480  
Duplicate atom serial number found: 23481  
Duplicate atom serial number found: 23482  
Duplicate atom serial number found: 23483  
Duplicate atom serial number found: 23484  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 144523  
ATOM 2348a OH2 TIP3W5183 20.188 -44.077 -34.477 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 144524  
ATOM 2348b H1 TIP3W5183 20.121 -43.378 -35.128 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 144525  
ATOM 2348c H2 TIP3W5183 19.483 -44.683 -34.703 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 144526  
ATOM 2348d OH2 TIP3W5184 17.910 -56.412 58.032 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 144527  
ATOM 2348e H1 TIP3W5184 17.890 -55.784 58.754 0.00 0.00 WT7  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 23490  
Duplicate atom serial number found: 23491  
Duplicate atom serial number found: 23492  
Duplicate atom serial number found: 23493  
Duplicate atom serial number found: 23494  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 144539  
ATOM 2349a H1 TIP3W5188 49.273 -9.110 2.956 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 144540  
ATOM 2349b H2 TIP3W5188 48.126 -8.568 2.130 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 144541  
ATOM 2349c OH2 TIP3W5190 -9.807 36.169 4.267 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 144542  
ATOM 2349d H1 TIP3W5190 -9.324 36.993 4.322 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 144543  
ATOM 2349e H2 TIP3W5190 -10.717 36.412 4.438 0.00 0.00 WT7  
  
97 messages similar to the above omitted  
Duplicate atom serial number found: 23500  
Duplicate atom serial number found: 23501  
Duplicate atom serial number found: 23502  
Duplicate atom serial number found: 23503  
Duplicate atom serial number found: 23504  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 144651  
ATOM 2350a H2 TIP3W5257 -50.226 16.682 13.938 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 144652  
ATOM 2350b OH2 TIP3W5259 26.778 -13.195 -27.089 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 144653  
ATOM 2350c H1 TIP3W5259 26.877 -13.725 -26.298 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 144654  
ATOM 2350d H2 TIP3W5259 27.265 -12.392 -26.903 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 144655  
ATOM 2350e OH2 TIP3W5260 17.122 -30.216 18.895 0.00 0.00 WT7  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 23510  
Duplicate atom serial number found: 23511  
Duplicate atom serial number found: 23512  
Duplicate atom serial number found: 23513  
Duplicate atom serial number found: 23514  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 144667  
ATOM 2351a OH2 TIP3W5267 29.095 -23.560 0.055 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 144668  
ATOM 2351b H1 TIP3W5267 28.623 -23.197 0.805 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 144669  
ATOM 2351c H2 TIP3W5267 29.776 -24.109 0.443 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 144670  
ATOM 2351d OH2 TIP3W5268 -57.430 5.254 -46.400 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 144671  
ATOM 2351e H1 TIP3W5268 -56.675 4.684 -46.546 0.00 0.00 WT7  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 23520  
Duplicate atom serial number found: 23521  
Duplicate atom serial number found: 23522  
Duplicate atom serial number found: 23523  
Duplicate atom serial number found: 23524  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 144683  
ATOM 2352a H1 TIP3W5273 -34.017 -4.046 -1.966 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 144684  
ATOM 2352b H2 TIP3W5273 -33.109 -2.981 -1.389 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 144685  
ATOM 2352c OH2 TIP3W5274 -14.651 17.865 12.046 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 144686  
ATOM 2352d H1 TIP3W5274 -14.123 17.662 12.817 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 144687  
ATOM 2352e H2 TIP3W5274 -15.116 18.669 12.278 0.00 0.00 WT7  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 23530  
Duplicate atom serial number found: 23531  
Duplicate atom serial number found: 23532  
Duplicate atom serial number found: 23533  
Duplicate atom serial number found: 23534  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 144699  
ATOM 2353a H2 TIP3W5288 53.006 46.032 -19.773 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 144700  
ATOM 2353b OH2 TIP3W5289 -46.797 -50.865 58.004 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 144701  
ATOM 2353c H1 TIP3W5289 -47.009 -51.362 57.214 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 144702  
ATOM 2353d H2 TIP3W5289 -45.841 -50.818 58.008 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 144703  
ATOM 2353e OH2 TIP3W5291 4.207 23.994 -36.071 0.00 0.00 WT7  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 23540  
Duplicate atom serial number found: 23541  
Duplicate atom serial number found: 23542  
Duplicate atom serial number found: 23543  
Duplicate atom serial number found: 23544  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 144715  
ATOM 2354a OH2 TIP3W5302 -39.426 13.525 -4.319 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 144716  
ATOM 2354b H1 TIP3W5302 -39.778 13.659 -5.199 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 144717  
ATOM 2354c H2 TIP3W5302 -39.305 12.578 -4.250 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 144718  
ATOM 2354d OH2 TIP3W5304 42.136 2.431 0.547 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 144719  
ATOM 2354e H1 TIP3W5304 42.520 3.281 0.763 0.00 0.00 WT7  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 23550  
Duplicate atom serial number found: 23551  
Duplicate atom serial number found: 23552  
Duplicate atom serial number found: 23553  
Duplicate atom serial number found: 23554  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 144731  
ATOM 2355a H1 TIP3W5314 -37.859 27.640 -17.421 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 144732  
ATOM 2355b H2 TIP3W5314 -37.900 27.023 -18.803 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 144733  
ATOM 2355c OH2 TIP3W5317 55.804 -42.092 -43.602 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 144734  
ATOM 2355d H1 TIP3W5317 55.790 -41.575 -42.796 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 144735  
ATOM 2355e H2 TIP3W5317 56.605 -41.819 -44.048 0.00 0.00 WT7  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 23560  
Duplicate atom serial number found: 23561  
Duplicate atom serial number found: 23562  
Duplicate atom serial number found: 23563  
Duplicate atom serial number found: 23564  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 144747  
ATOM 2356a H2 TIP3W5323 22.949 35.991 -41.375 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 144748  
ATOM 2356b OH2 TIP3W5325 30.249 -5.191 -46.915 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 144749  
ATOM 2356c H1 TIP3W5325 30.825 -4.735 -46.302 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 144750  
ATOM 2356d H2 TIP3W5325 29.375 -4.852 -46.721 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 144751  
ATOM 2356e OH2 TIP3W5328 -4.580 -17.699 -57.597 0.00 0.00 WT7  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 23570  
Duplicate atom serial number found: 23571  
Duplicate atom serial number found: 23572  
Duplicate atom serial number found: 23573  
Duplicate atom serial number found: 23574  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 144763  
ATOM 2357a OH2 TIP3W5334 35.168 -35.374 -47.947 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 144764  
ATOM 2357b H1 TIP3W5334 35.646 -34.583 -47.700 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 144765  
ATOM 2357c H2 TIP3W5334 35.304 -35.451 -48.892 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 144766  
ATOM 2357d OH2 TIP3W5338 23.520 55.072 -60.728 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 144767  
ATOM 2357e H1 TIP3W5338 23.846 55.816 -61.234 0.00 0.00 WT7  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 23580  
Duplicate atom serial number found: 23581  
Duplicate atom serial number found: 23582  
Duplicate atom serial number found: 23583  
Duplicate atom serial number found: 23584  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 144779  
ATOM 2358a H1 TIP3W5344 -28.055 -47.349 6.967 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 144780  
ATOM 2358b H2 TIP3W5344 -27.912 -47.630 8.447 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 144781  
ATOM 2358c OH2 TIP3W5348 42.422 -6.328 -27.620 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 144782  
ATOM 2358d H1 TIP3W5348 41.919 -5.755 -27.042 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 144783  
ATOM 2358e H2 TIP3W5348 41.765 -6.884 -28.039 0.00 0.00 WT7  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 23590  
Duplicate atom serial number found: 23591  
Duplicate atom serial number found: 23592  
Duplicate atom serial number found: 23593  
Duplicate atom serial number found: 23594  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 144795  
ATOM 2359a H2 TIP3W5353 41.694 -60.962 1.654 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 144796  
ATOM 2359b OH2 TIP3W5354 6.558 37.850 49.418 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 144797  
ATOM 2359c H1 TIP3W5354 7.156 38.390 49.936 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 144798  
ATOM 2359d H2 TIP3W5354 6.478 38.314 48.584 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 144799  
ATOM 2359e OH2 TIP3W5355 -59.058 -22.989 41.398 0.00 0.00 WT7  
  
97 messages similar to the above omitted  
Duplicate atom serial number found: 23600  
Duplicate atom serial number found: 23601  
Duplicate atom serial number found: 23602  
Duplicate atom serial number found: 23603  
Duplicate atom serial number found: 23604  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 144907  
ATOM 2360a OH2 TIP3W5399 26.415 -3.799 1.161 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 144908  
ATOM 2360b H1 TIP3W5399 25.889 -4.465 1.602 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 144909  
ATOM 2360c H2 TIP3W5399 26.817 -3.300 1.872 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 144910  
ATOM 2360d OH2 TIP3W5401 13.881 30.292 -60.063 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 144911  
ATOM 2360e H1 TIP3W5401 13.301 30.664 -59.399 0.00 0.00 WT7  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 23610  
Duplicate atom serial number found: 23611  
Duplicate atom serial number found: 23612  
Duplicate atom serial number found: 23613  
Duplicate atom serial number found: 23614  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 144923  
ATOM 2361a H1 TIP3W5406 -57.101 -30.668 -28.767 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 144924  
ATOM 2361b H2 TIP3W5406 -58.054 -29.535 -29.084 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 144925  
ATOM 2361c OH2 TIP3W5408 9.111 49.813 7.702 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 144926  
ATOM 2361d H1 TIP3W5408 9.063 49.472 8.596 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 144927  
ATOM 2361e H2 TIP3W5408 9.287 50.748 7.811 0.00 0.00 WT7  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 23620  
Duplicate atom serial number found: 23621  
Duplicate atom serial number found: 23622  
Duplicate atom serial number found: 23623  
Duplicate atom serial number found: 23624  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 144939  
ATOM 2362a H2 TIP3W5413 10.831 39.107 -28.527 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 144940  
ATOM 2362b OH2 TIP3W5414 -2.334 20.246 52.387 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 144941  
ATOM 2362c H1 TIP3W5414 -3.158 20.201 51.902 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 144942  
ATOM 2362d H2 TIP3W5414 -2.569 19.998 53.282 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 144943  
ATOM 2362e OH2 TIP3W5415 60.571 9.501 59.810 0.00 0.00 WT7  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 23630  
Duplicate atom serial number found: 23631  
Duplicate atom serial number found: 23632  
Duplicate atom serial number found: 23633  
Duplicate atom serial number found: 23634  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 144955  
ATOM 2363a OH2 TIP3W5419 36.034 -32.048 -16.108 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 144956  
ATOM 2363b H1 TIP3W5419 35.669 -32.266 -16.966 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 144957  
ATOM 2363c H2 TIP3W5419 35.369 -31.496 -15.697 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 144958  
ATOM 2363d OH2 TIP3W5420 -20.137 -55.141 -37.796 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 144959  
ATOM 2363e H1 TIP3W5420 -20.478 -54.331 -37.417 0.00 0.00 WT7  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 23640  
Duplicate atom serial number found: 23641  
Duplicate atom serial number found: 23642  
Duplicate atom serial number found: 23643  
Duplicate atom serial number found: 23644  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 144971  
ATOM 2364a H1 TIP3W5425 -19.809 28.097 44.033 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 144972  
ATOM 2364b H2 TIP3W5425 -20.660 29.307 44.355 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 144973  
ATOM 2364c OH2 TIP3W5426 40.792 -2.711 29.159 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 144974  
ATOM 2364d H1 TIP3W5426 40.118 -2.160 28.760 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 144975  
ATOM 2364e H2 TIP3W5426 41.554 -2.609 28.589 0.00 0.00 WT7  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 23650  
Duplicate atom serial number found: 23651  
Duplicate atom serial number found: 23652  
Duplicate atom serial number found: 23653  
Duplicate atom serial number found: 23654  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 144987  
ATOM 2365a H2 TIP3W5430 2.062 -27.182 -3.309 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 144988  
ATOM 2365b OH2 TIP3W5431 -48.823 -4.792 1.696 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 144989  
ATOM 2365c H1 TIP3W5431 -48.973 -5.405 0.976 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 144990  
ATOM 2365d H2 TIP3W5431 -49.674 -4.380 1.841 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 144991  
ATOM 2365e OH2 TIP3W5432 2.707 54.061 -25.248 0.00 0.00 WT7  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 23660  
Duplicate atom serial number found: 23661  
Duplicate atom serial number found: 23662  
Duplicate atom serial number found: 23663  
Duplicate atom serial number found: 23664  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 145003  
ATOM 2366a OH2 TIP3W5437 24.328 -0.032 -17.047 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 145004  
ATOM 2366b H1 TIP3W5437 24.884 -0.062 -16.268 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 145005  
ATOM 2366c H2 TIP3W5437 24.653 -0.740 -17.602 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 145006  
ATOM 2366d OH2 TIP3W5438 -34.925 5.479 -24.981 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 145007  
ATOM 2366e H1 TIP3W5438 -35.852 5.681 -24.853 0.00 0.00 WT7  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 23670  
Duplicate atom serial number found: 23671  
Duplicate atom serial number found: 23672  
Duplicate atom serial number found: 23673  
Duplicate atom serial number found: 23674  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 145019  
ATOM 2367a H1 TIP3W5442 10.595 -59.010 37.079 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 145020  
ATOM 2367b H2 TIP3W5442 10.448 -58.234 35.788 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 145021  
ATOM 2367c OH2 TIP3W5443 4.148 0.847 58.291 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 145022  
ATOM 2367d H1 TIP3W5443 4.549 1.221 57.506 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 145023  
ATOM 2367e H2 TIP3W5443 4.878 0.731 58.900 0.00 0.00 WT7  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 23680  
Duplicate atom serial number found: 23681  
Duplicate atom serial number found: 23682  
Duplicate atom serial number found: 23683  
Duplicate atom serial number found: 23684  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 145035  
ATOM 2368a H2 TIP3W5448 30.916 -10.657 60.548 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 145036  
ATOM 2368b OH2 TIP3W5449 -14.750 -48.809 -38.228 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 145037  
ATOM 2368c H1 TIP3W5449 -14.073 -49.349 -38.636 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 145038  
ATOM 2368d H2 TIP3W5449 -15.481 -49.410 -38.082 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 145039  
ATOM 2368e OH2 TIP3W5451 13.631 4.829 -36.188 0.00 0.00 WT7  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 23690  
Duplicate atom serial number found: 23691  
Duplicate atom serial number found: 23692  
Duplicate atom serial number found: 23693  
Duplicate atom serial number found: 23694  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 145051  
ATOM 2369a OH2 TIP3W5456 29.670 27.451 -26.218 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 145052  
ATOM 2369b H1 TIP3W5456 29.851 26.548 -26.479 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 145053  
ATOM 2369c H2 TIP3W5456 29.623 27.420 -25.262 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 145054  
ATOM 2369d OH2 TIP3W5457 -11.870 28.642 -36.105 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 145055  
ATOM 2369e H1 TIP3W5457 -10.972 28.393 -36.322 0.00 0.00 WT7  
  
97 messages similar to the above omitted  
Duplicate atom serial number found: 23700  
Duplicate atom serial number found: 23701  
Duplicate atom serial number found: 23702  
Duplicate atom serial number found: 23703  
Duplicate atom serial number found: 23704  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 145163  
ATOM 2370a H1 TIP3W5499 -44.621 6.657 55.605 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 145164  
ATOM 2370b H2 TIP3W5499 -44.985 7.352 56.900 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 145165  
ATOM 2370c OH2 TIP3W5500 -40.891 47.195 -28.465 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 145166  
ATOM 2370d H1 TIP3W5500 -40.472 46.776 -29.217 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 145167  
ATOM 2370e H2 TIP3W5500 -40.418 46.854 -27.706 0.00 0.00 WT7  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 23710  
Duplicate atom serial number found: 23711  
Duplicate atom serial number found: 23712  
Duplicate atom serial number found: 23713  
Duplicate atom serial number found: 23714  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 145179  
ATOM 2371a H2 TIP3W5504 -24.610 -3.899 -4.807 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 145180  
ATOM 2371b OH2 TIP3W5505 4.700 33.298 -22.963 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 145181  
ATOM 2371c H1 TIP3W5505 4.678 32.740 -23.740 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 145182  
ATOM 2371d H2 TIP3W5505 3.835 33.192 -22.567 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 145183  
ATOM 2371e OH2 TIP3W5506 30.321 2.075 -39.536 0.00 0.00 WT7  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 23720  
Duplicate atom serial number found: 23721  
Duplicate atom serial number found: 23722  
Duplicate atom serial number found: 23723  
Duplicate atom serial number found: 23724  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 145195  
ATOM 2372a OH2 TIP3W5510 32.170 26.196 37.703 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 145196  
ATOM 2372b H1 TIP3W5510 31.964 27.036 38.114 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 145197  
ATOM 2372c H2 TIP3W5510 31.996 25.547 38.384 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 145198  
ATOM 2372d OH2 TIP3W5511 -4.135 20.443 -15.474 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 145199  
ATOM 2372e H1 TIP3W5511 -3.900 21.356 -15.641 0.00 0.00 WT7  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 23730  
Duplicate atom serial number found: 23731  
Duplicate atom serial number found: 23732  
Duplicate atom serial number found: 23733  
Duplicate atom serial number found: 23734  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 145211  
ATOM 2373a H1 TIP3W5516 56.176 -36.503 -60.709 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 145212  
ATOM 2373b H2 TIP3W5516 57.305 -36.661 -59.712 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 145213  
ATOM 2373c OH2 TIP3W5518 21.883 40.609 -52.945 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 145214  
ATOM 2373d H1 TIP3W5518 22.027 39.852 -53.513 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 145215  
ATOM 2373e H2 TIP3W5518 22.373 40.406 -52.148 0.00 0.00 WT7  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 23740  
Duplicate atom serial number found: 23741  
Duplicate atom serial number found: 23742  
Duplicate atom serial number found: 23743  
Duplicate atom serial number found: 23744  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 145227  
ATOM 2374a H2 TIP3W5522 -58.884 53.384 -46.749 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 145228  
ATOM 2374b OH2 TIP3W5523 42.689 59.226 -8.622 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 145229  
ATOM 2374c H1 TIP3W5523 43.168 59.203 -7.794 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 145230  
ATOM 2374d H2 TIP3W5523 43.131 59.902 -9.136 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 145231  
ATOM 2374e OH2 TIP3W5525 -29.602 -4.892 -26.377 0.00 0.00 WT7  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 23750  
Duplicate atom serial number found: 23751  
Duplicate atom serial number found: 23752  
Duplicate atom serial number found: 23753  
Duplicate atom serial number found: 23754  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 145243  
ATOM 2375a OH2 TIP3W5529 -39.083 -42.087 -20.355 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 145244  
ATOM 2375b H1 TIP3W5529 -38.527 -41.308 -20.321 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 145245  
ATOM 2375c H2 TIP3W5529 -39.242 -42.308 -19.438 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 145246  
ATOM 2375d OH2 TIP3W5530 28.981 50.895 56.309 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 145247  
ATOM 2375e H1 TIP3W5530 28.039 50.737 56.257 0.00 0.00 WT7  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 23760  
Duplicate atom serial number found: 23761  
Duplicate atom serial number found: 23762  
Duplicate atom serial number found: 23763  
Duplicate atom serial number found: 23764  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 145259  
ATOM 2376a H1 TIP3W5534 -29.292 28.062 13.249 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 145260  
ATOM 2376b H2 TIP3W5534 -28.630 26.703 13.166 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 145261  
ATOM 2376c OH2 TIP3W5535 22.610 -33.538 3.695 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 145262  
ATOM 2376d H1 TIP3W5535 22.652 -33.533 2.739 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 145263  
ATOM 2376e H2 TIP3W5535 21.774 -33.958 3.896 0.00 0.00 WT7  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 23770  
Duplicate atom serial number found: 23771  
Duplicate atom serial number found: 23772  
Duplicate atom serial number found: 23773  
Duplicate atom serial number found: 23774  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 145275  
ATOM 2377a H2 TIP3W5539 60.321 43.833 -35.504 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 145276  
ATOM 2377b OH2 TIP3W5540 -29.318 42.425 -21.134 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 145277  
ATOM 2377c H1 TIP3W5540 -29.395 43.056 -21.850 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 145278  
ATOM 2377d H2 TIP3W5540 -29.976 41.758 -21.331 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 145279  
ATOM 2377e OH2 TIP3W5541 -27.667 -17.962 50.435 0.00 0.00 WT7  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 23780  
Duplicate atom serial number found: 23781  
Duplicate atom serial number found: 23782  
Duplicate atom serial number found: 23783  
Duplicate atom serial number found: 23784  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 145291  
ATOM 2378a OH2 TIP3W5545 23.085 -21.987 -39.929 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 145292  
ATOM 2378b H1 TIP3W5545 22.453 -21.396 -40.340 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 145293  
ATOM 2378c H2 TIP3W5545 23.157 -22.722 -40.538 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 145294  
ATOM 2378d OH2 TIP3W5546 -21.933 11.088 -5.156 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 145295  
ATOM 2378e H1 TIP3W5546 -21.025 11.171 -4.863 0.00 0.00 WT7  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 23790  
Duplicate atom serial number found: 23791  
Duplicate atom serial number found: 23792  
Duplicate atom serial number found: 23793  
Duplicate atom serial number found: 23794  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 145307  
ATOM 2379a H1 TIP3W5552 31.770 -44.153 -61.127 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 145308  
ATOM 2379b H2 TIP3W5552 32.431 -43.059 -61.939 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 145309  
ATOM 2379c OH2 TIP3W5553 5.962 30.295 58.614 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 145310  
ATOM 2379d H1 TIP3W5553 5.894 30.458 57.674 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 145311  
ATOM 2379e H2 TIP3W5553 5.305 30.870 59.006 0.00 0.00 WT7  
  
97 messages similar to the above omitted  
Duplicate atom serial number found: 23800  
Duplicate atom serial number found: 23801  
Duplicate atom serial number found: 23802  
Duplicate atom serial number found: 23803  
Duplicate atom serial number found: 23804  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 145419  
ATOM 2380a H2 TIP3W5593 -35.850 -29.548 -46.271 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 145420  
ATOM 2380b OH2 TIP3W5594 -11.018 -53.063 -37.556 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 145421  
ATOM 2380c H1 TIP3W5594 -10.131 -52.946 -37.898 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 145422  
ATOM 2380d H2 TIP3W5594 -11.519 -53.399 -38.299 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 145423  
ATOM 2380e OH2 TIP3W5596 3.438 -57.920 -14.908 0.00 0.00 WT7  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 23810  
Duplicate atom serial number found: 23811  
Duplicate atom serial number found: 23812  
Duplicate atom serial number found: 23813  
Duplicate atom serial number found: 23814  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 145435  
ATOM 2381a OH2 TIP3W5602 -28.459 34.209 -29.419 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 145436  
ATOM 2381b H1 TIP3W5602 -29.135 34.430 -28.779 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 145437  
ATOM 2381c H2 TIP3W5602 -27.974 33.488 -29.017 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 145438  
ATOM 2381d OH2 TIP3W5603 56.668 -48.069 -55.455 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 145439  
ATOM 2381e H1 TIP3W5603 55.915 -48.353 -54.937 0.00 0.00 WT7  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 23820  
Duplicate atom serial number found: 23821  
Duplicate atom serial number found: 23822  
Duplicate atom serial number found: 23823  
Duplicate atom serial number found: 23824  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 145451  
ATOM 2382a H1 TIP3W5608 32.772 30.521 -50.385 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 145452  
ATOM 2382b H2 TIP3W5608 32.241 29.103 -50.412 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 145453  
ATOM 2382c OH2 TIP3W5609 -14.910 -21.779 -18.322 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 145454  
ATOM 2382d H1 TIP3W5609 -14.356 -22.557 -18.255 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 145455  
ATOM 2382e H2 TIP3W5609 -15.134 -21.724 -19.251 0.00 0.00 WT7  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 23830  
Duplicate atom serial number found: 23831  
Duplicate atom serial number found: 23832  
Duplicate atom serial number found: 23833  
Duplicate atom serial number found: 23834  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 145467  
ATOM 2383a H2 TIP3W5613 12.572 38.716 -45.583 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 145468  
ATOM 2383b OH2 TIP3W5614 59.530 -4.692 -54.471 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 145469  
ATOM 2383c H1 TIP3W5614 60.312 -4.141 -54.469 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 145470  
ATOM 2383d H2 TIP3W5614 59.843 -5.554 -54.197 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 145471  
ATOM 2383e OH2 TIP3W5616 28.614 21.362 3.828 0.00 0.00 WT7  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 23840  
Duplicate atom serial number found: 23841  
Duplicate atom serial number found: 23842  
Duplicate atom serial number found: 23843  
Duplicate atom serial number found: 23844  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 145483  
ATOM 2384a OH2 TIP3W5623 -15.582 20.479 -19.146 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 145484  
ATOM 2384b H1 TIP3W5623 -16.504 20.369 -18.914 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 145485  
ATOM 2384c H2 TIP3W5623 -15.109 19.948 -18.506 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 145486  
ATOM 2384d OH2 TIP3W5624 -41.993 12.050 -12.685 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 145487  
ATOM 2384e H1 TIP3W5624 -41.272 12.680 -12.696 0.00 0.00 WT7  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 23850  
Duplicate atom serial number found: 23851  
Duplicate atom serial number found: 23852  
Duplicate atom serial number found: 23853  
Duplicate atom serial number found: 23854  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 145499  
ATOM 2385a H1 TIP3W5628 -53.104 -12.272 21.501 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 145500  
ATOM 2385b H2 TIP3W5628 -52.591 -12.487 22.909 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 145501  
ATOM 2385c OH2 TIP3W5629 15.493 -34.298 29.583 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 145502  
ATOM 2385d H1 TIP3W5629 16.160 -33.883 30.129 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 145503  
ATOM 2385e H2 TIP3W5629 14.670 -33.897 29.863 0.00 0.00 WT7  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 23860  
Duplicate atom serial number found: 23861  
Duplicate atom serial number found: 23862  
Duplicate atom serial number found: 23863  
Duplicate atom serial number found: 23864  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 145515  
ATOM 2386a H2 TIP3W5636 -8.020 35.358 48.101 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 145516  
ATOM 2386b OH2 TIP3W5637 -34.812 0.042 58.045 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 145517  
ATOM 2386c H1 TIP3W5637 -35.756 0.011 58.197 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 145518  
ATOM 2386d H2 TIP3W5637 -34.641 0.946 57.782 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 145519  
ATOM 2386e OH2 TIP3W5639 -27.691 -44.623 -56.864 0.00 0.00 WT7  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 23870  
Duplicate atom serial number found: 23871  
Duplicate atom serial number found: 23872  
Duplicate atom serial number found: 23873  
Duplicate atom serial number found: 23874  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 145531  
ATOM 2387a OH2 TIP3W5643 -20.632 -37.859 12.597 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 145532  
ATOM 2387b H1 TIP3W5643 -21.548 -38.094 12.748 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 145533  
ATOM 2387c H2 TIP3W5643 -20.401 -37.302 13.339 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 145534  
ATOM 2387d OH2 TIP3W5645 -11.292 8.893 44.433 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 145535  
ATOM 2387e H1 TIP3W5645 -10.815 8.074 44.564 0.00 0.00 WT7  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 23880  
Duplicate atom serial number found: 23881  
Duplicate atom serial number found: 23882  
Duplicate atom serial number found: 23883  
Duplicate atom serial number found: 23884  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 145547  
ATOM 2388a H1 TIP3W5653 41.103 46.886 -29.820 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 145548  
ATOM 2388b H2 TIP3W5653 40.709 46.772 -28.363 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 145549  
ATOM 2388c OH2 TIP3W5655 0.139 20.194 28.745 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 145550  
ATOM 2388d H1 TIP3W5655 0.707 20.265 29.512 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 145551  
ATOM 2388e H2 TIP3W5655 0.733 20.268 27.998 0.00 0.00 WT7  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 23890  
Duplicate atom serial number found: 23891  
Duplicate atom serial number found: 23892  
Duplicate atom serial number found: 23893  
Duplicate atom serial number found: 23894  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 145563  
ATOM 2389a H2 TIP3W5662 -16.147 -44.257 -50.894 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 145564  
ATOM 2389b OH2 TIP3W5665 9.393 -51.313 -56.986 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 145565  
ATOM 2389c H1 TIP3W5665 10.248 -50.882 -56.997 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 145566  
ATOM 2389d H2 TIP3W5665 9.564 -52.177 -56.613 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 145567  
ATOM 2389e OH2 TIP3W5667 -27.537 34.893 57.150 0.00 0.00 WT7  
  
97 messages similar to the above omitted  
Duplicate atom serial number found: 23900  
Duplicate atom serial number found: 23901  
Duplicate atom serial number found: 23902  
Duplicate atom serial number found: 23903  
Duplicate atom serial number found: 23904  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 145675  
ATOM 2390a OH2 TIP3W5738 -43.739 -31.416 -26.760 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 145676  
ATOM 2390b H1 TIP3W5738 -42.789 -31.301 -26.738 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 145677  
ATOM 2390c H2 TIP3W5738 -43.999 -31.105 -27.627 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 145678  
ATOM 2390d OH2 TIP3W5741 60.476 37.049 -50.279 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 145679  
ATOM 2390e H1 TIP3W5741 60.148 37.573 -49.547 0.00 0.00 WT7  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 23910  
Duplicate atom serial number found: 23911  
Duplicate atom serial number found: 23912  
Duplicate atom serial number found: 23913  
Duplicate atom serial number found: 23914  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 145691  
ATOM 2391a H1 TIP3W5753 -34.579 56.364 -9.839 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 145692  
ATOM 2391b H2 TIP3W5753 -33.079 56.168 -9.764 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 145693  
ATOM 2391c OH2 TIP3W5754 28.577 20.055 28.317 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 145694  
ATOM 2391d H1 TIP3W5754 27.848 20.647 28.503 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 145695  
ATOM 2391e H2 TIP3W5754 28.485 19.847 27.387 0.00 0.00 WT7  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 23920  
Duplicate atom serial number found: 23921  
Duplicate atom serial number found: 23922  
Duplicate atom serial number found: 23923  
Duplicate atom serial number found: 23924  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 145707  
ATOM 2392a H2 TIP3W5758 4.215 19.086 -13.369 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 145708  
ATOM 2392b OH2 TIP3W5762 58.047 42.514 11.760 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 145709  
ATOM 2392c H1 TIP3W5762 57.753 42.955 10.963 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 145710  
ATOM 2392d H2 TIP3W5762 58.981 42.357 11.616 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 145711  
ATOM 2392e OH2 TIP3W5764 9.091 -9.394 -18.091 0.00 0.00 WT7  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 23930  
Duplicate atom serial number found: 23931  
Duplicate atom serial number found: 23932  
Duplicate atom serial number found: 23933  
Duplicate atom serial number found: 23934  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 145723  
ATOM 2393a OH2 TIP3W5772 -47.293 -14.568 -34.677 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 145724  
ATOM 2393b H1 TIP3W5772 -46.371 -14.391 -34.487 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 145725  
ATOM 2393c H2 TIP3W5772 -47.357 -15.523 -34.682 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 145726  
ATOM 2393d OH2 TIP3W5774 -26.785 13.956 -32.514 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 145727  
ATOM 2393e H1 TIP3W5774 -25.977 14.469 -32.475 0.00 0.00 WT7  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 23940  
Duplicate atom serial number found: 23941  
Duplicate atom serial number found: 23942  
Duplicate atom serial number found: 23943  
Duplicate atom serial number found: 23944  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 145739  
ATOM 2394a H1 TIP3W5780 40.803 -19.845 -26.186 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 145740  
ATOM 2394b H2 TIP3W5780 41.952 -19.608 -25.230 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 145741  
ATOM 2394c OH2 TIP3W5781 36.300 33.821 -4.490 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 145742  
ATOM 2394d H1 TIP3W5781 35.987 34.669 -4.808 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 145743  
ATOM 2394e H2 TIP3W5781 36.241 33.886 -3.537 0.00 0.00 WT7  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 23950  
Duplicate atom serial number found: 23951  
Duplicate atom serial number found: 23952  
Duplicate atom serial number found: 23953  
Duplicate atom serial number found: 23954  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 145755  
ATOM 2395a H2 TIP3W5785 30.912 16.595 29.415 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 145756  
ATOM 2395b OH2 TIP3W5786 -25.919 -16.412 -6.820 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 145757  
ATOM 2395c H1 TIP3W5786 -26.694 -16.537 -7.368 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 145758  
ATOM 2395d H2 TIP3W5786 -26.250 -16.460 -5.923 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 145759  
ATOM 2395e OH2 TIP3W5787 59.175 -31.297 -50.847 0.00 0.00 WT7  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 23960  
Duplicate atom serial number found: 23961  
Duplicate atom serial number found: 23962  
Duplicate atom serial number found: 23963  
Duplicate atom serial number found: 23964  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 145771  
ATOM 2396a OH2 TIP3W5794 -26.417 11.582 17.519 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 145772  
ATOM 2396b H1 TIP3W5794 -25.477 11.404 17.481 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 145773  
ATOM 2396c H2 TIP3W5794 -26.543 12.326 16.930 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 145774  
ATOM 2396d OH2 TIP3W5795 -23.063 -9.375 -13.831 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 145775  
ATOM 2396e H1 TIP3W5795 -23.180 -8.461 -13.571 0.00 0.00 WT7  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 23970  
Duplicate atom serial number found: 23971  
Duplicate atom serial number found: 23972  
Duplicate atom serial number found: 23973  
Duplicate atom serial number found: 23974  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 145787  
ATOM 2397a H1 TIP3W5799 -58.120 0.708 -45.160 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 145788  
ATOM 2397b H2 TIP3W5799 -56.943 0.135 -44.399 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 145789  
ATOM 2397c OH2 TIP3W5802 41.766 1.825 -38.480 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 145790  
ATOM 2397d H1 TIP3W5802 40.836 1.661 -38.637 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 145791  
ATOM 2397e H2 TIP3W5802 42.125 0.968 -38.251 0.00 0.00 WT7  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 23980  
Duplicate atom serial number found: 23981  
Duplicate atom serial number found: 23982  
Duplicate atom serial number found: 23983  
Duplicate atom serial number found: 23984  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 145803  
ATOM 2398a H2 TIP3W5806 -57.747 -39.408 -7.728 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 145804  
ATOM 2398b OH2 TIP3W5807 27.201 48.298 -12.649 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 145805  
ATOM 2398c H1 TIP3W5807 28.100 48.628 -12.674 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 145806  
ATOM 2398d H2 TIP3W5807 27.167 47.751 -11.865 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 145807  
ATOM 2398e OH2 TIP3W5808 39.734 -5.379 -18.080 0.00 0.00 WT7  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 23990  
Duplicate atom serial number found: 23991  
Duplicate atom serial number found: 23992  
Duplicate atom serial number found: 23993  
Duplicate atom serial number found: 23994  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 145819  
ATOM 2399a OH2 TIP3W5814 -22.904 8.406 12.856 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 145820  
ATOM 2399b H1 TIP3W5814 -22.453 7.859 13.499 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 145821  
ATOM 2399c H2 TIP3W5814 -23.121 7.807 12.142 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 145822  
ATOM 2399d OH2 TIP3W5816 -17.285 -13.556 -1.534 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 145823  
ATOM 2399e H1 TIP3W5816 -17.227 -14.505 -1.649 0.00 0.00 WT7  
  
1633 messages similar to the above omitted  
Duplicate atom serial number found: 24000  
Duplicate atom serial number found: 24001  
Duplicate atom serial number found: 24002  
Duplicate atom serial number found: 24003  
Duplicate atom serial number found: 24004  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 147467  
ATOM 2400a H1 TIP3W6486 2.574 47.377 26.651 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 147468  
ATOM 2400b H2 TIP3W6486 2.658 45.868 26.565 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 147469  
ATOM 2400c OH2 TIP3W6487 45.178 -10.962 -58.560 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 147470  
ATOM 2400d H1 TIP3W6487 45.309 -10.027 -58.402 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 147471  
ATOM 2400e H2 TIP3W6487 44.239 -11.049 -58.725 0.00 0.00 WT7  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 24010  
Duplicate atom serial number found: 24011  
Duplicate atom serial number found: 24012  
Duplicate atom serial number found: 24013  
Duplicate atom serial number found: 24014  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 147483  
ATOM 2401a H2 TIP3W6492 -5.648 42.578 15.698 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 147484  
ATOM 2401b OH2 TIP3W6493 -25.036 26.128 -32.960 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 147485  
ATOM 2401c H1 TIP3W6493 -25.418 26.275 -32.095 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 147486  
ATOM 2401d H2 TIP3W6493 -25.615 26.595 -33.562 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 147487  
ATOM 2401e OH2 TIP3W6494 -33.544 -20.524 -3.533 0.00 0.00 WT7  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 24020  
Duplicate atom serial number found: 24021  
Duplicate atom serial number found: 24022  
Duplicate atom serial number found: 24023  
Duplicate atom serial number found: 24024  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 147499  
ATOM 2402a OH2 TIP3W6498 45.305 -52.863 -45.061 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 147500  
ATOM 2402b H1 TIP3W6498 46.122 -52.924 -44.565 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 147501  
ATOM 2402c H2 TIP3W6498 45.550 -52.417 -45.871 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 147502  
ATOM 2402d OH2 TIP3W6499 55.719 -16.455 1.479 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 147503  
ATOM 2402e H1 TIP3W6499 56.151 -16.973 2.159 0.00 0.00 WT7  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 24030  
Duplicate atom serial number found: 24031  
Duplicate atom serial number found: 24032  
Duplicate atom serial number found: 24033  
Duplicate atom serial number found: 24034  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 147515  
ATOM 2403a H1 TIP3W6507 2.914 -17.080 -1.032 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 147516  
ATOM 2403b H2 TIP3W6507 3.164 -17.834 -2.321 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 147517  
ATOM 2403c OH2 TIP3W6510 21.103 30.419 39.406 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 147518  
ATOM 2403d H1 TIP3W6510 20.230 30.231 39.751 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 147519  
ATOM 2403e H2 TIP3W6510 21.375 31.215 39.864 0.00 0.00 WT7  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 24040  
Duplicate atom serial number found: 24041  
Duplicate atom serial number found: 24042  
Duplicate atom serial number found: 24043  
Duplicate atom serial number found: 24044  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 147531  
ATOM 2404a H2 TIP3W6517 -28.154 22.581 -10.543 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 147532  
ATOM 2404b OH2 TIP3W6518 12.872 11.935 -17.215 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 147533  
ATOM 2404c H1 TIP3W6518 13.404 12.452 -16.611 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 147534  
ATOM 2404d H2 TIP3W6518 12.332 11.384 -16.648 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 147535  
ATOM 2404e OH2 TIP3W6519 15.654 15.084 14.170 0.00 0.00 WT7  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 24050  
Duplicate atom serial number found: 24051  
Duplicate atom serial number found: 24052  
Duplicate atom serial number found: 24053  
Duplicate atom serial number found: 24054  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 147547  
ATOM 2405a OH2 TIP3W6525 32.413 20.317 1.246 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 147548  
ATOM 2405b H1 TIP3W6525 33.174 20.894 1.184 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 147549  
ATOM 2405c H2 TIP3W6525 32.622 19.720 1.964 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 147550  
ATOM 2405d OH2 TIP3W6526 50.547 -53.709 -10.049 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 147551  
ATOM 2405e H1 TIP3W6526 50.097 -52.954 -10.428 0.00 0.00 WT7  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 24060  
Duplicate atom serial number found: 24061  
Duplicate atom serial number found: 24062  
Duplicate atom serial number found: 24063  
Duplicate atom serial number found: 24064  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 147563  
ATOM 2406a H1 TIP3W6536 -16.603 58.675 33.432 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 147564  
ATOM 2406b H2 TIP3W6536 -17.668 58.247 34.420 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 147565  
ATOM 2406c OH2 TIP3W6537 36.916 8.645 -53.515 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 147566  
ATOM 2406d H1 TIP3W6537 37.580 7.957 -53.553 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 147567  
ATOM 2406e H2 TIP3W6537 37.358 9.382 -53.092 0.00 0.00 WT7  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 24070  
Duplicate atom serial number found: 24071  
Duplicate atom serial number found: 24072  
Duplicate atom serial number found: 24073  
Duplicate atom serial number found: 24074  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 147579  
ATOM 2407a H2 TIP3W6542 -42.374 -12.808 11.654 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 147580  
ATOM 2407b OH2 TIP3W6544 -18.866 49.640 -45.607 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 147581  
ATOM 2407c H1 TIP3W6544 -19.148 50.388 -45.080 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 147582  
ATOM 2407d H2 TIP3W6544 -19.610 49.456 -46.180 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 147583  
ATOM 2407e OH2 TIP3W6545 -51.886 24.782 2.529 0.00 0.00 WT7  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 24080  
Duplicate atom serial number found: 24081  
Duplicate atom serial number found: 24082  
Duplicate atom serial number found: 24083  
Duplicate atom serial number found: 24084  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 147595  
ATOM 2408a OH2 TIP3W6550 -10.998 -42.021 -9.671 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 147596  
ATOM 2408b H1 TIP3W6550 -11.161 -41.503 -8.882 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 147597  
ATOM 2408c H2 TIP3W6550 -11.553 -42.794 -9.569 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 147598  
ATOM 2408d OH2 TIP3W6551 28.048 -53.855 -40.463 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 147599  
ATOM 2408e H1 TIP3W6551 28.395 -53.169 -41.034 0.00 0.00 WT7  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 24090  
Duplicate atom serial number found: 24091  
Duplicate atom serial number found: 24092  
Duplicate atom serial number found: 24093  
Duplicate atom serial number found: 24094  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 147611  
ATOM 2409a H1 TIP3W6555 -12.318 12.570 0.285 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 147612  
ATOM 2409b H2 TIP3W6555 -13.287 13.274 -0.642 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 147613  
ATOM 2409c OH2 TIP3W6560 41.045 -19.557 -9.274 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 147614  
ATOM 2409d H1 TIP3W6560 41.277 -18.628 -9.282 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 147615  
ATOM 2409e H2 TIP3W6560 41.884 -20.013 -9.200 0.00 0.00 WT7  
  
97 messages similar to the above omitted  
Duplicate atom serial number found: 24100  
Duplicate atom serial number found: 24101  
Duplicate atom serial number found: 24102  
Duplicate atom serial number found: 24103  
Duplicate atom serial number found: 24104  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 147723  
ATOM 2410a H2 TIP3W6621 -32.611 14.640 -19.738 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 147724  
ATOM 2410b OH2 TIP3W6623 59.608 5.095 -3.078 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 147725  
ATOM 2410c H1 TIP3W6623 59.995 5.574 -3.811 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 147726  
ATOM 2410d H2 TIP3W6623 60.344 4.914 -2.494 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 147727  
ATOM 2410e OH2 TIP3W6625 36.914 17.941 22.742 0.00 0.00 WT7  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 24110  
Duplicate atom serial number found: 24111  
Duplicate atom serial number found: 24112  
Duplicate atom serial number found: 24113  
Duplicate atom serial number found: 24114  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 147739  
ATOM 2411a OH2 TIP3W6632 -39.276 -44.677 33.168 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 147740  
ATOM 2411b H1 TIP3W6632 -40.002 -44.690 32.544 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 147741  
ATOM 2411c H2 TIP3W6632 -38.533 -44.345 32.664 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 147742  
ATOM 2411d OH2 TIP3W6634 34.309 -59.254 -3.006 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 147743  
ATOM 2411e H1 TIP3W6634 34.468 -58.566 -3.653 0.00 0.00 WT7  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 24120  
Duplicate atom serial number found: 24121  
Duplicate atom serial number found: 24122  
Duplicate atom serial number found: 24123  
Duplicate atom serial number found: 24124  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 147755  
ATOM 2412a H1 TIP3W6641 -56.059 37.485 -25.252 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 147756  
ATOM 2412b H2 TIP3W6641 -54.548 37.570 -25.257 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 147757  
ATOM 2412c OH2 TIP3W6642 -8.876 -22.097 -21.944 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 147758  
ATOM 2412d H1 TIP3W6642 -9.114 -22.937 -21.553 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 147759  
ATOM 2412e H2 TIP3W6642 -8.172 -21.765 -21.387 0.00 0.00 WT7  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 24130  
Duplicate atom serial number found: 24131  
Duplicate atom serial number found: 24132  
Duplicate atom serial number found: 24133  
Duplicate atom serial number found: 24134  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 147771  
ATOM 2413a H2 TIP3W6647 39.310 2.444 -10.912 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 147772  
ATOM 2413b OH2 TIP3W6649 21.987 -28.382 6.473 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 147773  
ATOM 2413c H1 TIP3W6649 21.942 -28.686 7.379 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 147774  
ATOM 2413d H2 TIP3W6649 22.646 -28.943 6.063 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 147775  
ATOM 2413e OH2 TIP3W6650 16.531 25.170 21.251 0.00 0.00 WT7  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 24140  
Duplicate atom serial number found: 24141  
Duplicate atom serial number found: 24142  
Duplicate atom serial number found: 24143  
Duplicate atom serial number found: 24144  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 147787  
ATOM 2414a OH2 TIP3W6655 -11.292 -50.858 -6.028 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 147788  
ATOM 2414b H1 TIP3W6655 -11.279 -49.966 -5.679 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 147789  
ATOM 2414c H2 TIP3W6655 -11.051 -50.759 -6.949 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 147790  
ATOM 2414d OH2 TIP3W6657 -49.989 -18.362 28.542 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 147791  
ATOM 2414e H1 TIP3W6657 -50.023 -17.896 29.378 0.00 0.00 WT7  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 24150  
Duplicate atom serial number found: 24151  
Duplicate atom serial number found: 24152  
Duplicate atom serial number found: 24153  
Duplicate atom serial number found: 24154  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 147803  
ATOM 2415a H1 TIP3W6661 19.443 6.696 46.932 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 147804  
ATOM 2415b H2 TIP3W6661 18.558 7.447 47.904 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 147805  
ATOM 2415c OH2 TIP3W6662 -30.954 7.774 8.665 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 147806  
ATOM 2415d H1 TIP3W6662 -30.577 8.580 9.017 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 147807  
ATOM 2415e H2 TIP3W6662 -31.074 7.211 9.430 0.00 0.00 WT7  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 24160  
Duplicate atom serial number found: 24161  
Duplicate atom serial number found: 24162  
Duplicate atom serial number found: 24163  
Duplicate atom serial number found: 24164  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 147819  
ATOM 2416a H2 TIP3W6666 41.882 -4.828 15.202 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 147820  
ATOM 2416b OH2 TIP3W6667 51.838 -16.425 58.860 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 147821  
ATOM 2416c H1 TIP3W6667 51.881 -16.699 57.943 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 147822  
ATOM 2416d H2 TIP3W6667 51.141 -15.770 58.882 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 147823  
ATOM 2416e OH2 TIP3W6668 -21.210 -37.730 30.433 0.00 0.00 WT7  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 24170  
Duplicate atom serial number found: 24171  
Duplicate atom serial number found: 24172  
Duplicate atom serial number found: 24173  
Duplicate atom serial number found: 24174  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 147835  
ATOM 2417a OH2 TIP3W6673 55.998 11.231 6.695 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 147836  
ATOM 2417b H1 TIP3W6673 55.505 10.438 6.904 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 147837  
ATOM 2417c H2 TIP3W6673 56.910 11.001 6.874 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 147838  
ATOM 2417d OH2 TIP3W6674 -57.551 30.484 -37.024 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 147839  
ATOM 2417e H1 TIP3W6674 -57.754 31.150 -37.681 0.00 0.00 WT7  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 24180  
Duplicate atom serial number found: 24181  
Duplicate atom serial number found: 24182  
Duplicate atom serial number found: 24183  
Duplicate atom serial number found: 24184  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 147851  
ATOM 2418a H1 TIP3W6680 31.665 13.317 9.282 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 147852  
ATOM 2418b H2 TIP3W6680 32.326 12.667 8.086 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 147853  
ATOM 2418c OH2 TIP3W6681 34.699 -25.747 31.188 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 147854  
ATOM 2418d H1 TIP3W6681 34.300 -26.380 30.590 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 147855  
ATOM 2418e H2 TIP3W6681 35.524 -25.506 30.767 0.00 0.00 WT7  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 24190  
Duplicate atom serial number found: 24191  
Duplicate atom serial number found: 24192  
Duplicate atom serial number found: 24193  
Duplicate atom serial number found: 24194  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 147867  
ATOM 2419a H2 TIP3W6685 42.767 -18.189 60.233 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 147868  
ATOM 2419b OH2 TIP3W6686 -10.632 28.175 -29.628 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 147869  
ATOM 2419c H1 TIP3W6686 -9.937 27.910 -29.026 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 147870  
ATOM 2419d H2 TIP3W6686 -11.443 27.958 -29.167 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 147871  
ATOM 2419e OH2 TIP3W6687 39.851 17.251 3.656 0.00 0.00 WT7  
  
97 messages similar to the above omitted  
Duplicate atom serial number found: 24200  
Duplicate atom serial number found: 24201  
Duplicate atom serial number found: 24202  
Duplicate atom serial number found: 24203  
Duplicate atom serial number found: 24204  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 147979  
ATOM 2420a OH2 TIP3W6731 -39.714 50.365 -54.013 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 147980  
ATOM 2420b H1 TIP3W6731 -39.155 50.207 -54.774 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 147981  
ATOM 2420c H2 TIP3W6731 -39.829 49.501 -53.617 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 147982  
ATOM 2420d OH2 TIP3W6732 44.837 60.392 12.531 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 147983  
ATOM 2420e H1 TIP3W6732 45.586 60.767 12.993 0.00 0.00 WT7  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 24210  
Duplicate atom serial number found: 24211  
Duplicate atom serial number found: 24212  
Duplicate atom serial number found: 24213  
Duplicate atom serial number found: 24214  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 147995  
ATOM 2421a H1 TIP3W6736 40.235 -18.270 2.820 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 147996  
ATOM 2421b H2 TIP3W6736 40.503 -16.783 2.924 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 147997  
ATOM 2421c OH2 TIP3W6737 -43.443 49.602 -18.168 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 147998  
ATOM 2421d H1 TIP3W6737 -42.734 48.981 -18.332 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 147999  
ATOM 2421e H2 TIP3W6737 -43.047 50.282 -17.624 0.00 0.00 WT7  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 24220  
Duplicate atom serial number found: 24221  
Duplicate atom serial number found: 24222  
Duplicate atom serial number found: 24223  
Duplicate atom serial number found: 24224  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 148011  
ATOM 2422a H2 TIP3W6741 -2.053 0.466 48.611 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 148012  
ATOM 2422b OH2 TIP3W6742 23.379 56.036 -42.981 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 148013  
ATOM 2422c H1 TIP3W6742 24.137 55.595 -43.366 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 148014  
ATOM 2422d H2 TIP3W6742 23.218 56.783 -43.556 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 148015  
ATOM 2422e OH2 TIP3W6743 -19.697 -36.391 -56.311 0.00 0.00 WT7  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 24230  
Duplicate atom serial number found: 24231  
Duplicate atom serial number found: 24232  
Duplicate atom serial number found: 24233  
Duplicate atom serial number found: 24234  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 148027  
ATOM 2423a OH2 TIP3W6749 -18.449 -56.983 -51.262 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 148028  
ATOM 2423b H1 TIP3W6749 -18.431 -56.318 -50.574 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 148029  
ATOM 2423c H2 TIP3W6749 -18.042 -56.557 -52.017 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 148030  
ATOM 2423d OH2 TIP3W6750 -55.795 -10.194 0.780 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 148031  
ATOM 2423e H1 TIP3W6750 -56.648 -9.772 0.682 0.00 0.00 WT7  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 24240  
Duplicate atom serial number found: 24241  
Duplicate atom serial number found: 24242  
Duplicate atom serial number found: 24243  
Duplicate atom serial number found: 24244  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 148043  
ATOM 2424a H1 TIP3W6754 56.199 26.802 -43.117 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 148044  
ATOM 2424b H2 TIP3W6754 55.532 26.616 -44.463 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 148045  
ATOM 2424c OH2 TIP3W6755 47.849 7.197 35.329 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 148046  
ATOM 2424d H1 TIP3W6755 47.003 6.755 35.250 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 148047  
ATOM 2424e H2 TIP3W6755 48.429 6.537 35.710 0.00 0.00 WT7  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 24250  
Duplicate atom serial number found: 24251  
Duplicate atom serial number found: 24252  
Duplicate atom serial number found: 24253  
Duplicate atom serial number found: 24254  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 148059  
ATOM 2425a H2 TIP3W6760 -56.742 -5.927 60.136 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 148060  
ATOM 2425b OH2 TIP3W6761 -52.190 43.114 -38.743 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 148061  
ATOM 2425c H1 TIP3W6761 -52.878 42.453 -38.827 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 148062  
ATOM 2425d H2 TIP3W6761 -52.351 43.721 -39.465 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 148063  
ATOM 2425e OH2 TIP3W6762 -0.975 60.334 -13.018 0.00 0.00 WT7  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 24260  
Duplicate atom serial number found: 24261  
Duplicate atom serial number found: 24262  
Duplicate atom serial number found: 24263  
Duplicate atom serial number found: 24264  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 148075  
ATOM 2426a OH2 TIP3W6767 32.557 -0.962 -29.391 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 148076  
ATOM 2426b H1 TIP3W6767 31.878 -0.914 -28.718 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 148077  
ATOM 2426c H2 TIP3W6767 32.325 -1.731 -29.911 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 148078  
ATOM 2426d OH2 TIP3W6768 -46.938 12.168 29.724 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 148079  
ATOM 2426e H1 TIP3W6768 -47.756 11.704 29.548 0.00 0.00 WT7  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 24270  
Duplicate atom serial number found: 24271  
Duplicate atom serial number found: 24272  
Duplicate atom serial number found: 24273  
Duplicate atom serial number found: 24274  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 148091  
ATOM 2427a H1 TIP3W6773 18.977 56.039 -24.888 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 148092  
ATOM 2427b H2 TIP3W6773 20.209 56.918 -24.902 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 148093  
ATOM 2427c OH2 TIP3W6774 29.606 52.673 17.938 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 148094  
ATOM 2427d H1 TIP3W6774 29.854 52.573 17.019 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 148095  
ATOM 2427e H2 TIP3W6774 29.022 51.935 18.111 0.00 0.00 WT7  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 24280  
Duplicate atom serial number found: 24281  
Duplicate atom serial number found: 24282  
Duplicate atom serial number found: 24283  
Duplicate atom serial number found: 24284  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 148107  
ATOM 2428a H2 TIP3W6779 54.974 22.499 32.747 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 148108  
ATOM 2428b OH2 TIP3W6780 -41.358 -58.249 -8.144 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 148109  
ATOM 2428c H1 TIP3W6780 -40.446 -57.961 -8.140 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 148110  
ATOM 2428d H2 TIP3W6780 -41.313 -59.190 -7.973 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 148111  
ATOM 2428e OH2 TIP3W6781 41.212 29.417 -44.837 0.00 0.00 WT7  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 24290  
Duplicate atom serial number found: 24291  
Duplicate atom serial number found: 24292  
Duplicate atom serial number found: 24293  
Duplicate atom serial number found: 24294  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 148123  
ATOM 2429a OH2 TIP3W6788 -16.660 -46.143 -59.808 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 148124  
ATOM 2429b H1 TIP3W6788 -16.477 -45.206 -59.733 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 148125  
ATOM 2429c H2 TIP3W6788 -15.803 -46.562 -59.727 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 148126  
ATOM 2429d OH2 TIP3W6790 20.466 -34.543 58.847 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 148127  
ATOM 2429e H1 TIP3W6790 20.630 -34.546 57.904 0.00 0.00 WT7  
  
97 messages similar to the above omitted  
Duplicate atom serial number found: 24300  
Duplicate atom serial number found: 24301  
Duplicate atom serial number found: 24302  
Duplicate atom serial number found: 24303  
Duplicate atom serial number found: 24304  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 148235  
ATOM 2430a H1 TIP3W6831 -34.285 -22.586 -24.751 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 148236  
ATOM 2430b H2 TIP3W6831 -33.565 -21.258 -24.854 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 148237  
ATOM 2430c OH2 TIP3W6832 -39.233 5.056 6.769 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 148238  
ATOM 2430d H1 TIP3W6832 -38.282 5.155 6.725 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 148239  
ATOM 2430e H2 TIP3W6832 -39.460 4.561 5.982 0.00 0.00 WT7  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 24310  
Duplicate atom serial number found: 24311  
Duplicate atom serial number found: 24312  
Duplicate atom serial number found: 24313  
Duplicate atom serial number found: 24314  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 148251  
ATOM 2431a H2 TIP3W6836 54.275 -57.631 -8.160 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 148252  
ATOM 2431b OH2 TIP3W6837 43.785 2.040 10.972 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 148253  
ATOM 2431c H1 TIP3W6837 44.537 2.097 11.561 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 148254  
ATOM 2431d H2 TIP3W6837 44.057 2.519 10.189 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 148255  
ATOM 2431e OH2 TIP3W6838 -0.513 -24.147 43.645 0.00 0.00 WT7  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 24320  
Duplicate atom serial number found: 24321  
Duplicate atom serial number found: 24322  
Duplicate atom serial number found: 24323  
Duplicate atom serial number found: 24324  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 148267  
ATOM 2432a OH2 TIP3W6842 -57.625 32.941 -38.432 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 148268  
ATOM 2432b H1 TIP3W6842 -56.857 33.498 -38.305 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 148269  
ATOM 2432c H2 TIP3W6842 -57.800 32.983 -39.372 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 148270  
ATOM 2432d OH2 TIP3W6843 -38.367 -18.324 -52.832 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 148271  
ATOM 2432e H1 TIP3W6843 -39.053 -17.665 -52.730 0.00 0.00 WT7  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 24330  
Duplicate atom serial number found: 24331  
Duplicate atom serial number found: 24332  
Duplicate atom serial number found: 24333  
Duplicate atom serial number found: 24334  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 148283  
ATOM 2433a H1 TIP3W6847 -32.920 9.206 5.786 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 148284  
ATOM 2433b H2 TIP3W6847 -32.141 8.214 4.950 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 148285  
ATOM 2433c OH2 TIP3W6848 60.173 20.743 -7.835 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 148286  
ATOM 2433d H1 TIP3W6848 60.106 20.612 -8.781 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 148287  
ATOM 2433e H2 TIP3W6848 61.114 20.784 -7.665 0.00 0.00 WT7  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 24340  
Duplicate atom serial number found: 24341  
Duplicate atom serial number found: 24342  
Duplicate atom serial number found: 24343  
Duplicate atom serial number found: 24344  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 148299  
ATOM 2434a H2 TIP3W6854 3.395 -28.001 -12.512 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 148300  
ATOM 2434b OH2 TIP3W6855 -23.518 -48.870 35.320 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 148301  
ATOM 2434c H1 TIP3W6855 -24.068 -49.142 36.054 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 148302  
ATOM 2434d H2 TIP3W6855 -22.887 -49.582 35.216 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 148303  
ATOM 2434e OH2 TIP3W6857 -55.088 -41.235 -32.475 0.00 0.00 WT7  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 24350  
Duplicate atom serial number found: 24351  
Duplicate atom serial number found: 24352  
Duplicate atom serial number found: 24353  
Duplicate atom serial number found: 24354  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 148315  
ATOM 2435a OH2 TIP3W6864 19.706 19.601 -47.977 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 148316  
ATOM 2435b H1 TIP3W6864 18.911 19.265 -48.391 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 148317  
ATOM 2435c H2 TIP3W6864 19.390 20.127 -47.242 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 148318  
ATOM 2435d OH2 TIP3W6865 17.824 14.421 4.200 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 148319  
ATOM 2435e H1 TIP3W6865 17.686 13.653 4.754 0.00 0.00 WT7  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 24360  
Duplicate atom serial number found: 24361  
Duplicate atom serial number found: 24362  
Duplicate atom serial number found: 24363  
Duplicate atom serial number found: 24364  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 148331  
ATOM 2436a H1 TIP3W6870 -28.170 31.087 17.895 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 148332  
ATOM 2436b H2 TIP3W6870 -27.164 30.692 16.835 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 148333  
ATOM 2436c OH2 TIP3W6871 -35.579 47.802 -56.564 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 148334  
ATOM 2436d H1 TIP3W6871 -35.533 47.227 -55.801 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 148335  
ATOM 2436e H2 TIP3W6871 -34.861 47.512 -57.127 0.00 0.00 WT7  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 24370  
Duplicate atom serial number found: 24371  
Duplicate atom serial number found: 24372  
Duplicate atom serial number found: 24373  
Duplicate atom serial number found: 24374  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 148347  
ATOM 2437a H2 TIP3W6875 -9.944 24.365 -28.815 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 148348  
ATOM 2437b OH2 TIP3W6876 32.951 -34.184 -32.764 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 148349  
ATOM 2437c H1 TIP3W6876 32.057 -34.362 -33.054 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 148350  
ATOM 2437d H2 TIP3W6876 33.252 -33.476 -33.333 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 148351  
ATOM 2437e OH2 TIP3W6877 6.117 2.230 42.988 0.00 0.00 WT7  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 24380  
Duplicate atom serial number found: 24381  
Duplicate atom serial number found: 24382  
Duplicate atom serial number found: 24383  
Duplicate atom serial number found: 24384  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 148363  
ATOM 2438a OH2 TIP3W6881 -4.438 -0.623 -38.378 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 148364  
ATOM 2438b H1 TIP3W6881 -5.002 -1.370 -38.176 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 148365  
ATOM 2438c H2 TIP3W6881 -3.685 -1.006 -38.828 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 148366  
ATOM 2438d OH2 TIP3W6882 45.822 -49.026 -4.169 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 148367  
ATOM 2438e H1 TIP3W6882 45.326 -49.845 -4.168 0.00 0.00 WT7  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 24390  
Duplicate atom serial number found: 24391  
Duplicate atom serial number found: 24392  
Duplicate atom serial number found: 24393  
Duplicate atom serial number found: 24394  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 148379  
ATOM 2439a H1 TIP3W6887 31.805 22.504 -25.049 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 148380  
ATOM 2439b H2 TIP3W6887 33.261 22.110 -24.931 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 148381  
ATOM 2439c OH2 TIP3W6888 -45.918 -59.556 1.739 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 148382  
ATOM 2439d H1 TIP3W6888 -46.239 -59.206 0.908 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 148383  
ATOM 2439e H2 TIP3W6888 -46.432 -59.100 2.406 0.00 0.00 WT7  
  
97 messages similar to the above omitted  
Duplicate atom serial number found: 24400  
Duplicate atom serial number found: 24401  
Duplicate atom serial number found: 24402  
Duplicate atom serial number found: 24403  
Duplicate atom serial number found: 24404  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 148491  
ATOM 2440a H2 TIP3W6937 34.130 3.841 27.626 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 148492  
ATOM 2440b OH2 TIP3W6939 0.551 0.837 -59.509 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 148493  
ATOM 2440c H1 TIP3W6939 0.663 0.909 -60.457 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 148494  
ATOM 2440d H2 TIP3W6939 1.438 0.712 -59.171 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 148495  
ATOM 2440e OH2 TIP3W6941 55.787 -38.922 -57.777 0.00 0.00 WT7  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 24410  
Duplicate atom serial number found: 24411  
Duplicate atom serial number found: 24412  
Duplicate atom serial number found: 24413  
Duplicate atom serial number found: 24414  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 148507  
ATOM 2441a OH2 TIP3W6945 -57.570 -12.040 -53.408 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 148508  
ATOM 2441b H1 TIP3W6945 -58.258 -12.355 -53.993 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 148509  
ATOM 2441c H2 TIP3W6945 -57.925 -12.169 -52.528 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 148510  
ATOM 2441d OH2 TIP3W6946 54.169 -57.155 -30.538 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 148511  
ATOM 2441e H1 TIP3W6946 53.233 -57.253 -30.366 0.00 0.00 WT7  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 24420  
Duplicate atom serial number found: 24421  
Duplicate atom serial number found: 24422  
Duplicate atom serial number found: 24423  
Duplicate atom serial number found: 24424  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 148523  
ATOM 2442a H1 TIP3W6950 36.334 -41.923 9.065 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 148524  
ATOM 2442b H2 TIP3W6950 34.882 -42.070 9.469 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 148525  
ATOM 2442c OH2 TIP3W6952 37.195 -56.019 10.230 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 148526  
ATOM 2442d H1 TIP3W6952 38.124 -55.793 10.277 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 148527  
ATOM 2442e H2 TIP3W6952 36.741 -55.177 10.265 0.00 0.00 WT7  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 24430  
Duplicate atom serial number found: 24431  
Duplicate atom serial number found: 24432  
Duplicate atom serial number found: 24433  
Duplicate atom serial number found: 24434  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 148539  
ATOM 2443a H2 TIP3W6958 20.070 -55.958 -42.970 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 148540  
ATOM 2443b OH2 TIP3W6959 40.090 -51.598 -14.467 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 148541  
ATOM 2443c H1 TIP3W6959 40.607 -51.264 -13.734 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 148542  
ATOM 2443d H2 TIP3W6959 40.376 -51.080 -15.219 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 148543  
ATOM 2443e OH2 TIP3W6960 36.849 31.748 -11.202 0.00 0.00 WT7  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 24440  
Duplicate atom serial number found: 24441  
Duplicate atom serial number found: 24442  
Duplicate atom serial number found: 24443  
Duplicate atom serial number found: 24444  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 148555  
ATOM 2444a OH2 TIP3W6967 -19.689 19.714 -1.133 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 148556  
ATOM 2444b H1 TIP3W6967 -20.252 19.193 -1.705 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 148557  
ATOM 2444c H2 TIP3W6967 -18.801 19.415 -1.331 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 148558  
ATOM 2444d OH2 TIP3W6968 29.423 24.905 22.096 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 148559  
ATOM 2444e H1 TIP3W6968 29.402 25.776 22.493 0.00 0.00 WT7  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 24450  
Duplicate atom serial number found: 24451  
Duplicate atom serial number found: 24452  
Duplicate atom serial number found: 24453  
Duplicate atom serial number found: 24454  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 148571  
ATOM 2445a H1 TIP3W6976 -3.120 -25.378 -14.810 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 148572  
ATOM 2445b H2 TIP3W6976 -3.759 -24.660 -13.641 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 148573  
ATOM 2445c OH2 TIP3W6977 35.033 40.101 -41.151 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 148574  
ATOM 2445d H1 TIP3W6977 34.151 40.009 -41.511 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 148575  
ATOM 2445e H2 TIP3W6977 35.037 40.968 -40.745 0.00 0.00 WT7  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 24460  
Duplicate atom serial number found: 24461  
Duplicate atom serial number found: 24462  
Duplicate atom serial number found: 24463  
Duplicate atom serial number found: 24464  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 148587  
ATOM 2446a H2 TIP3W6986 29.335 32.616 -8.744 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 148588  
ATOM 2446b OH2 TIP3W6987 -0.970 51.610 -54.357 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 148589  
ATOM 2446c H1 TIP3W6987 -0.312 52.004 -54.929 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 148590  
ATOM 2446d H2 TIP3W6987 -1.686 51.369 -54.946 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 148591  
ATOM 2446e OH2 TIP3W6990 -2.587 -25.790 -9.578 0.00 0.00 WT7  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 24470  
Duplicate atom serial number found: 24471  
Duplicate atom serial number found: 24472  
Duplicate atom serial number found: 24473  
Duplicate atom serial number found: 24474  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 148603  
ATOM 2447a OH2 TIP3W7001 16.642 -21.093 2.080 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 148604  
ATOM 2447b H1 TIP3W7001 17.421 -21.230 2.619 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 148605  
ATOM 2447c H2 TIP3W7001 16.972 -20.676 1.284 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 148606  
ATOM 2447d OH2 TIP3W7003 35.711 3.037 33.117 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 148607  
ATOM 2447e H1 TIP3W7003 35.152 3.743 32.793 0.00 0.00 WT7  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 24480  
Duplicate atom serial number found: 24481  
Duplicate atom serial number found: 24482  
Duplicate atom serial number found: 24483  
Duplicate atom serial number found: 24484  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 148619  
ATOM 2448a H1 TIP3W7009 20.532 58.485 60.082 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 148620  
ATOM 2448b H2 TIP3W7009 19.848 59.695 60.682 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 148621  
ATOM 2448c OH2 TIP3W7010 -52.483 -36.680 -23.737 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 148622  
ATOM 2448d H1 TIP3W7010 -52.495 -37.577 -24.072 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 148623  
ATOM 2448e H2 TIP3W7010 -51.556 -36.488 -23.598 0.00 0.00 WT7  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 24490  
Duplicate atom serial number found: 24491  
Duplicate atom serial number found: 24492  
Duplicate atom serial number found: 24493  
Duplicate atom serial number found: 24494  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 148635  
ATOM 2449a H2 TIP3W7015 -36.735 37.638 22.230 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 148636  
ATOM 2449b OH2 TIP3W7016 -6.733 -53.206 36.336 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 148637  
ATOM 2449c H1 TIP3W7016 -6.567 -53.646 35.502 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 148638  
ATOM 2449d H2 TIP3W7016 -7.311 -52.477 36.112 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 148639  
ATOM 2449e OH2 TIP3W7017 56.366 -17.677 -52.691 0.00 0.00 WT7  
  
97 messages similar to the above omitted  
Duplicate atom serial number found: 24500  
Duplicate atom serial number found: 24501  
Duplicate atom serial number found: 24502  
Duplicate atom serial number found: 24503  
Duplicate atom serial number found: 24504  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 148747  
ATOM 2450a OH2 TIP3W7078 -13.885 -43.010 18.773 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 148748  
ATOM 2450b H1 TIP3W7078 -13.796 -42.059 18.836 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 148749  
ATOM 2450c H2 TIP3W7078 -12.996 -43.343 18.892 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 148750  
ATOM 2450d OH2 TIP3W7079 -18.092 33.816 59.477 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 148751  
ATOM 2450e H1 TIP3W7079 -18.007 32.981 59.937 0.00 0.00 WT7  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 24510  
Duplicate atom serial number found: 24511  
Duplicate atom serial number found: 24512  
Duplicate atom serial number found: 24513  
Duplicate atom serial number found: 24514  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 148763  
ATOM 2451a H1 TIP3W7086 -43.514 -39.570 9.904 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 148764  
ATOM 2451b H2 TIP3W7086 -43.111 -38.548 8.862 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 148765  
ATOM 2451c OH2 TIP3W7088 31.338 -0.717 28.530 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 148766  
ATOM 2451d H1 TIP3W7088 31.739 -0.157 27.864 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 148767  
ATOM 2451e H2 TIP3W7088 31.793 -1.555 28.444 0.00 0.00 WT7  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 24520  
Duplicate atom serial number found: 24521  
Duplicate atom serial number found: 24522  
Duplicate atom serial number found: 24523  
Duplicate atom serial number found: 24524  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 148779  
ATOM 2452a H2 TIP3W7096 -16.464 -39.348 -41.438 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 148780  
ATOM 2452b OH2 TIP3W7097 -18.080 -54.326 26.699 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 148781  
ATOM 2452c H1 TIP3W7097 -18.188 -55.015 27.356 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 148782  
ATOM 2452d H2 TIP3W7097 -18.020 -53.518 27.208 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 148783  
ATOM 2452e OH2 TIP3W7098 -59.697 13.751 30.822 0.00 0.00 WT7  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 24530  
Duplicate atom serial number found: 24531  
Duplicate atom serial number found: 24532  
Duplicate atom serial number found: 24533  
Duplicate atom serial number found: 24534  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 148795  
ATOM 2453a OH2 TIP3W7103 5.570 14.491 39.643 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 148796  
ATOM 2453b H1 TIP3W7103 5.746 15.401 39.881 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 148797  
ATOM 2453c H2 TIP3W7103 6.283 13.995 40.044 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 148798  
ATOM 2453d OH2 TIP3W7105 -12.762 12.797 30.380 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 148799  
ATOM 2453e H1 TIP3W7105 -12.705 13.080 31.292 0.00 0.00 WT7  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 24540  
Duplicate atom serial number found: 24541  
Duplicate atom serial number found: 24542  
Duplicate atom serial number found: 24543  
Duplicate atom serial number found: 24544  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 148811  
ATOM 2454a H1 TIP3W7111 -28.762 38.075 46.480 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 148812  
ATOM 2454b H2 TIP3W7111 -29.877 37.061 46.624 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 148813  
ATOM 2454c OH2 TIP3W7114 16.056 -10.138 -35.840 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 148814  
ATOM 2454d H1 TIP3W7114 16.561 -10.746 -35.300 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 148815  
ATOM 2454e H2 TIP3W7114 15.414 -10.690 -36.286 0.00 0.00 WT7  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 24550  
Duplicate atom serial number found: 24551  
Duplicate atom serial number found: 24552  
Duplicate atom serial number found: 24553  
Duplicate atom serial number found: 24554  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 148827  
ATOM 2455a H2 TIP3W7119 -40.110 34.373 -58.055 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 148828  
ATOM 2455b OH2 TIP3W7121 44.834 -27.835 54.627 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 148829  
ATOM 2455c H1 TIP3W7121 44.503 -27.287 53.916 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 148830  
ATOM 2455d H2 TIP3W7121 44.342 -28.652 54.550 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 148831  
ATOM 2455e OH2 TIP3W7122 -29.696 -29.612 -7.115 0.00 0.00 WT7  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 24560  
Duplicate atom serial number found: 24561  
Duplicate atom serial number found: 24562  
Duplicate atom serial number found: 24563  
Duplicate atom serial number found: 24564  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 148843  
ATOM 2456a OH2 TIP3W7127 -21.701 52.499 -28.578 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 148844  
ATOM 2456b H1 TIP3W7127 -21.440 52.063 -27.766 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 148845  
ATOM 2456c H2 TIP3W7127 -20.890 52.873 -28.921 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 148846  
ATOM 2456d OH2 TIP3W7129 -25.372 -5.263 -2.038 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 148847  
ATOM 2456e H1 TIP3W7129 -26.219 -5.506 -1.665 0.00 0.00 WT7  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 24570  
Duplicate atom serial number found: 24571  
Duplicate atom serial number found: 24572  
Duplicate atom serial number found: 24573  
Duplicate atom serial number found: 24574  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 148859  
ATOM 2457a H1 TIP3W7136 -22.642 33.576 -26.032 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 148860  
ATOM 2457b H2 TIP3W7136 -23.643 34.274 -25.136 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 148861  
ATOM 2457c OH2 TIP3W7139 -16.437 -33.096 -43.722 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 148862  
ATOM 2457d H1 TIP3W7139 -16.993 -33.178 -44.497 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 148863  
ATOM 2457e H2 TIP3W7139 -15.778 -32.446 -43.967 0.00 0.00 WT7  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 24580  
Duplicate atom serial number found: 24581  
Duplicate atom serial number found: 24582  
Duplicate atom serial number found: 24583  
Duplicate atom serial number found: 24584  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 148875  
ATOM 2458a H2 TIP3W7146 -42.593 -24.578 6.893 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 148876  
ATOM 2458b OH2 TIP3W7147 27.566 32.434 -24.198 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 148877  
ATOM 2458c H1 TIP3W7147 26.970 32.078 -23.539 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 148878  
ATOM 2458d H2 TIP3W7147 28.044 31.672 -24.527 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 148879  
ATOM 2458e OH2 TIP3W7148 2.571 49.507 39.508 0.00 0.00 WT7  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 24590  
Duplicate atom serial number found: 24591  
Duplicate atom serial number found: 24592  
Duplicate atom serial number found: 24593  
Duplicate atom serial number found: 24594  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 148891  
ATOM 2459a OH2 TIP3W7152 1.569 0.744 -33.075 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 148892  
ATOM 2459b H1 TIP3W7152 1.728 -0.200 -33.090 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 148893  
ATOM 2459c H2 TIP3W7152 0.804 0.867 -33.637 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 148894  
ATOM 2459d OH2 TIP3W7154 13.696 -56.752 45.637 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 148895  
ATOM 2459e H1 TIP3W7154 13.296 -57.490 46.099 0.00 0.00 WT7  
  
97 messages similar to the above omitted  
Duplicate atom serial number found: 24600  
Duplicate atom serial number found: 24601  
Duplicate atom serial number found: 24602  
Duplicate atom serial number found: 24603  
Duplicate atom serial number found: 24604  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 149003  
ATOM 2460a H1 TIP3W7208 -35.915 5.799 -18.118 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 149004  
ATOM 2460b H2 TIP3W7208 -35.417 4.665 -17.247 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 149005  
ATOM 2460c OH2 TIP3W7209 -47.133 -4.184 57.043 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 149006  
ATOM 2460d H1 TIP3W7209 -47.233 -3.331 56.620 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 149007  
ATOM 2460e H2 TIP3W7209 -47.057 -3.982 57.976 0.00 0.00 WT7  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 24610  
Duplicate atom serial number found: 24611  
Duplicate atom serial number found: 24612  
Duplicate atom serial number found: 24613  
Duplicate atom serial number found: 24614  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 149019  
ATOM 2461a H2 TIP3W7213 27.361 13.752 -12.149 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 149020  
ATOM 2461b OH2 TIP3W7214 10.164 -1.787 57.207 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 149021  
ATOM 2461c H1 TIP3W7214 9.998 -2.651 56.831 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 149022  
ATOM 2461d H2 TIP3W7214 10.740 -1.956 57.953 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 149023  
ATOM 2461e OH2 TIP3W7215 3.150 39.295 50.316 0.00 0.00 WT7  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 24620  
Duplicate atom serial number found: 24621  
Duplicate atom serial number found: 24622  
Duplicate atom serial number found: 24623  
Duplicate atom serial number found: 24624  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 149035  
ATOM 2462a OH2 TIP3W7222 46.460 5.833 32.078 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 149036  
ATOM 2462b H1 TIP3W7222 46.453 6.783 32.196 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 149037  
ATOM 2462c H2 TIP3W7222 47.195 5.671 31.487 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 149038  
ATOM 2462d OH2 TIP3W7224 -9.622 17.396 -12.197 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 149039  
ATOM 2462e H1 TIP3W7224 -8.677 17.521 -12.282 0.00 0.00 WT7  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 24630  
Duplicate atom serial number found: 24631  
Duplicate atom serial number found: 24632  
Duplicate atom serial number found: 24633  
Duplicate atom serial number found: 24634  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 149051  
ATOM 2463a H1 TIP3W7229 26.580 -49.539 -43.139 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 149052  
ATOM 2463b H2 TIP3W7229 26.308 -49.671 -44.622 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 149053  
ATOM 2463c OH2 TIP3W7230 -21.119 2.268 -49.711 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 149054  
ATOM 2463d H1 TIP3W7230 -20.792 2.895 -49.066 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 149055  
ATOM 2463e H2 TIP3W7230 -20.604 1.476 -49.558 0.00 0.00 WT7  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 24640  
Duplicate atom serial number found: 24641  
Duplicate atom serial number found: 24642  
Duplicate atom serial number found: 24643  
Duplicate atom serial number found: 24644  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 149067  
ATOM 2464a H2 TIP3W7236 29.990 53.941 -13.203 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 149068  
ATOM 2464b OH2 TIP3W7238 3.726 -39.971 17.446 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 149069  
ATOM 2464c H1 TIP3W7238 2.921 -40.479 17.547 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 149070  
ATOM 2464d H2 TIP3W7238 3.860 -39.920 16.499 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 149071  
ATOM 2464e OH2 TIP3W7239 -41.546 -42.567 -13.253 0.00 0.00 WT7  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 24650  
Duplicate atom serial number found: 24651  
Duplicate atom serial number found: 24652  
Duplicate atom serial number found: 24653  
Duplicate atom serial number found: 24654  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 149083  
ATOM 2465a OH2 TIP3W7245 46.217 -37.842 -53.252 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 149084  
ATOM 2465b H1 TIP3W7245 45.352 -37.452 -53.123 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 149085  
ATOM 2465c H2 TIP3W7245 46.094 -38.470 -53.963 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 149086  
ATOM 2465d OH2 TIP3W7246 -32.129 7.916 -51.697 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 149087  
ATOM 2465e H1 TIP3W7246 -31.826 8.395 -52.468 0.00 0.00 WT7  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 24660  
Duplicate atom serial number found: 24661  
Duplicate atom serial number found: 24662  
Duplicate atom serial number found: 24663  
Duplicate atom serial number found: 24664  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 149099  
ATOM 2466a H1 TIP3W7251 24.596 60.092 34.321 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 149100  
ATOM 2466b H2 TIP3W7251 24.261 60.306 35.782 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 149101  
ATOM 2466c OH2 TIP3W7252 41.859 33.388 -8.040 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 149102  
ATOM 2466d H1 TIP3W7252 41.006 32.994 -8.224 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 149103  
ATOM 2466e H2 TIP3W7252 41.759 34.306 -8.294 0.00 0.00 WT7  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 24670  
Duplicate atom serial number found: 24671  
Duplicate atom serial number found: 24672  
Duplicate atom serial number found: 24673  
Duplicate atom serial number found: 24674  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 149115  
ATOM 2467a H2 TIP3W7257 54.750 10.146 -19.672 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 149116  
ATOM 2467b OH2 TIP3W7259 -30.336 -50.978 60.119 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 149117  
ATOM 2467c H1 TIP3W7259 -30.780 -51.461 59.422 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 149118  
ATOM 2467d H2 TIP3W7259 -29.529 -50.660 59.713 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 149119  
ATOM 2467e OH2 TIP3W7260 -39.024 6.808 15.226 0.00 0.00 WT7  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 24680  
Duplicate atom serial number found: 24681  
Duplicate atom serial number found: 24682  
Duplicate atom serial number found: 24683  
Duplicate atom serial number found: 24684  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 149131  
ATOM 2468a OH2 TIP3W7265 -40.424 -44.345 35.897 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 149132  
ATOM 2468b H1 TIP3W7265 -40.252 -44.377 34.956 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 149133  
ATOM 2468c H2 TIP3W7265 -41.035 -45.066 36.053 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 149134  
ATOM 2468d OH2 TIP3W7266 17.293 -36.934 11.874 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 149135  
ATOM 2468e H1 TIP3W7266 16.860 -36.765 11.037 0.00 0.00 WT7  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 24690  
Duplicate atom serial number found: 24691  
Duplicate atom serial number found: 24692  
Duplicate atom serial number found: 24693  
Duplicate atom serial number found: 24694  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 149147  
ATOM 2469a H1 TIP3W7272 18.268 4.731 -53.899 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 149148  
ATOM 2469b H2 TIP3W7272 17.389 5.641 -54.732 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 149149  
ATOM 2469c OH2 TIP3W7273 60.628 58.383 -33.422 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 149150  
ATOM 2469d H1 TIP3W7273 60.409 59.145 -33.958 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 149151  
ATOM 2469e H2 TIP3W7273 61.161 58.736 -32.709 0.00 0.00 WT7  
  
97 messages similar to the above omitted  
Duplicate atom serial number found: 24700  
Duplicate atom serial number found: 24701  
Duplicate atom serial number found: 24702  
Duplicate atom serial number found: 24703  
Duplicate atom serial number found: 24704  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 149259  
ATOM 2470a H2 TIP3W7317 -31.174 -58.741 59.987 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 149260  
ATOM 2470b OH2 TIP3W7319 -6.735 -31.313 52.776 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 149261  
ATOM 2470c H1 TIP3W7319 -6.808 -32.155 53.226 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 149262  
ATOM 2470d H2 TIP3W7319 -7.477 -31.299 52.171 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 149263  
ATOM 2470e OH2 TIP3W7321 -48.233 -6.301 19.048 0.00 0.00 WT7  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 24710  
Duplicate atom serial number found: 24711  
Duplicate atom serial number found: 24712  
Duplicate atom serial number found: 24713  
Duplicate atom serial number found: 24714  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 149275  
ATOM 2471a OH2 TIP3W7327 59.259 -41.058 -3.989 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 149276  
ATOM 2471b H1 TIP3W7327 59.688 -40.452 -4.593 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 149277  
ATOM 2471c H2 TIP3W7327 58.364 -41.132 -4.319 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 149278  
ATOM 2471d OH2 TIP3W7328 -7.465 -50.559 -53.377 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 149279  
ATOM 2471e H1 TIP3W7328 -8.280 -50.076 -53.517 0.00 0.00 WT7  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 24720  
Duplicate atom serial number found: 24721  
Duplicate atom serial number found: 24722  
Duplicate atom serial number found: 24723  
Duplicate atom serial number found: 24724  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 149291  
ATOM 2472a H1 TIP3W7333 -37.000 -22.684 -10.323 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 149292  
ATOM 2472b H2 TIP3W7333 -36.129 -23.920 -10.235 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 149293  
ATOM 2472c OH2 TIP3W7334 -31.861 54.937 34.586 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 149294  
ATOM 2472d H1 TIP3W7334 -31.956 54.851 33.637 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 149295  
ATOM 2472e H2 TIP3W7334 -32.752 55.083 34.904 0.00 0.00 WT7  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 24730  
Duplicate atom serial number found: 24731  
Duplicate atom serial number found: 24732  
Duplicate atom serial number found: 24733  
Duplicate atom serial number found: 24734  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 149307  
ATOM 2473a H2 TIP3W7340 36.260 40.398 -29.700 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 149308  
ATOM 2473b OH2 TIP3W7341 -60.628 52.089 -15.715 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 149309  
ATOM 2473c H1 TIP3W7341 -61.160 52.041 -14.921 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 149310  
ATOM 2473d H2 TIP3W7341 -59.787 52.439 -15.419 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 149311  
ATOM 2473e OH2 TIP3W7342 -40.694 20.736 57.299 0.00 0.00 WT7  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 24740  
Duplicate atom serial number found: 24741  
Duplicate atom serial number found: 24742  
Duplicate atom serial number found: 24743  
Duplicate atom serial number found: 24744  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 149323  
ATOM 2474a OH2 TIP3W7346 4.023 12.866 -36.702 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 149324  
ATOM 2474b H1 TIP3W7346 3.684 13.330 -35.937 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 149325  
ATOM 2474c H2 TIP3W7346 3.414 13.087 -37.406 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 149326  
ATOM 2474d OH2 TIP3W7347 34.759 -55.752 58.169 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 149327  
ATOM 2474e H1 TIP3W7347 34.634 -54.805 58.230 0.00 0.00 WT7  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 24750  
Duplicate atom serial number found: 24751  
Duplicate atom serial number found: 24752  
Duplicate atom serial number found: 24753  
Duplicate atom serial number found: 24754  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 149339  
ATOM 2475a H1 TIP3W7353 17.896 52.158 -12.585 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 149340  
ATOM 2475b H2 TIP3W7353 18.224 51.626 -11.206 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 149341  
ATOM 2475c OH2 TIP3W7355 13.554 -28.084 -35.255 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 149342  
ATOM 2475d H1 TIP3W7355 13.310 -28.110 -36.180 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 149343  
ATOM 2475e H2 TIP3W7355 14.498 -27.928 -35.260 0.00 0.00 WT7  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 24760  
Duplicate atom serial number found: 24761  
Duplicate atom serial number found: 24762  
Duplicate atom serial number found: 24763  
Duplicate atom serial number found: 24764  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 149355  
ATOM 2476a H2 TIP3W7365 25.486 45.883 57.201 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 149356  
ATOM 2476b OH2 TIP3W7366 -55.119 18.921 -14.010 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 149357  
ATOM 2476c H1 TIP3W7366 -55.960 19.234 -14.343 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 149358  
ATOM 2476d H2 TIP3W7366 -55.261 17.991 -13.833 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 149359  
ATOM 2476e OH2 TIP3W7367 23.609 35.442 -21.722 0.00 0.00 WT7  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 24770  
Duplicate atom serial number found: 24771  
Duplicate atom serial number found: 24772  
Duplicate atom serial number found: 24773  
Duplicate atom serial number found: 24774  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 149371  
ATOM 2477a OH2 TIP3W7372 23.537 49.582 54.654 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 149372  
ATOM 2477b H1 TIP3W7372 24.167 49.068 54.149 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 149373  
ATOM 2477c H2 TIP3W7372 23.465 50.409 54.177 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 149374  
ATOM 2477d OH2 TIP3W7373 16.550 -16.492 15.920 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 149375  
ATOM 2477e H1 TIP3W7373 16.833 -17.397 16.056 0.00 0.00 WT7  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 24780  
Duplicate atom serial number found: 24781  
Duplicate atom serial number found: 24782  
Duplicate atom serial number found: 24783  
Duplicate atom serial number found: 24784  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 149387  
ATOM 2478a H1 TIP3W7377 45.162 -28.934 -51.622 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 149388  
ATOM 2478b H2 TIP3W7377 45.414 -28.166 -52.902 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 149389  
ATOM 2478c OH2 TIP3W7378 -22.278 -17.426 52.376 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 149390  
ATOM 2478d H1 TIP3W7378 -22.318 -17.447 51.420 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 149391  
ATOM 2478e H2 TIP3W7378 -21.347 -17.507 52.580 0.00 0.00 WT7  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 24790  
Duplicate atom serial number found: 24791  
Duplicate atom serial number found: 24792  
Duplicate atom serial number found: 24793  
Duplicate atom serial number found: 24794  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 149403  
ATOM 2479a H2 TIP3W7386 -32.012 -17.753 -45.379 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 149404  
ATOM 2479b OH2 TIP3W7389 -29.388 -48.702 -19.146 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 149405  
ATOM 2479c H1 TIP3W7389 -29.337 -49.470 -19.714 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 149406  
ATOM 2479d H2 TIP3W7389 -28.515 -48.311 -19.190 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 149407  
ATOM 2479e OH2 TIP3W7390 43.077 -43.620 26.112 0.00 0.00 WT7  
  
97 messages similar to the above omitted  
Duplicate atom serial number found: 24800  
Duplicate atom serial number found: 24801  
Duplicate atom serial number found: 24802  
Duplicate atom serial number found: 24803  
Duplicate atom serial number found: 24804  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 149515  
ATOM 2480a OH2 TIP3W7472 43.529 -9.769 44.669 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 149516  
ATOM 2480b H1 TIP3W7472 43.179 -9.762 45.560 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 149517  
ATOM 2480c H2 TIP3W7472 42.879 -10.253 44.160 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 149518  
ATOM 2480d OH2 TIP3W7473 35.716 15.202 -13.822 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 149519  
ATOM 2480e H1 TIP3W7473 35.900 15.704 -14.617 0.00 0.00 WT7  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 24810  
Duplicate atom serial number found: 24811  
Duplicate atom serial number found: 24812  
Duplicate atom serial number found: 24813  
Duplicate atom serial number found: 24814  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 149531  
ATOM 2481a H1 TIP3W7481 -48.092 -49.022 -53.076 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 149532  
ATOM 2481b H2 TIP3W7481 -48.515 -50.442 -52.768 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 149533  
ATOM 2481c OH2 TIP3W7483 4.256 57.478 -61.177 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 149534  
ATOM 2481d H1 TIP3W7483 4.106 57.733 -60.267 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 149535  
ATOM 2481e H2 TIP3W7483 4.798 56.692 -61.120 0.00 0.00 WT7  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 24820  
Duplicate atom serial number found: 24821  
Duplicate atom serial number found: 24822  
Duplicate atom serial number found: 24823  
Duplicate atom serial number found: 24824  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 149547  
ATOM 2482a H2 TIP3W7495 -58.264 -17.912 -23.512 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 149548  
ATOM 2482b OH2 TIP3W7498 51.306 8.130 -6.240 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 149549  
ATOM 2482c H1 TIP3W7498 51.747 7.329 -6.524 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 149550  
ATOM 2482d H2 TIP3W7498 50.431 8.070 -6.623 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 149551  
ATOM 2482e OH2 TIP3W7501 60.080 10.933 23.192 0.00 0.00 WT7  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 24830  
Duplicate atom serial number found: 24831  
Duplicate atom serial number found: 24832  
Duplicate atom serial number found: 24833  
Duplicate atom serial number found: 24834  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 149563  
ATOM 2483a OH2 TIP3W7507 37.392 34.461 54.324 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 149564  
ATOM 2483b H1 TIP3W7507 36.873 34.723 55.084 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 149565  
ATOM 2483c H2 TIP3W7507 36.850 34.695 53.571 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 149566  
ATOM 2483d OH2 TIP3W7508 -24.101 20.286 37.911 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 149567  
ATOM 2483e H1 TIP3W7508 -24.386 19.436 37.574 0.00 0.00 WT7  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 24840  
Duplicate atom serial number found: 24841  
Duplicate atom serial number found: 24842  
Duplicate atom serial number found: 24843  
Duplicate atom serial number found: 24844  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 149579  
ATOM 2484a H1 TIP3W7516 13.282 -20.062 -32.909 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 149580  
ATOM 2484b H2 TIP3W7516 11.963 -20.651 -33.362 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 149581  
ATOM 2484c OH2 TIP3W7519 60.023 -15.750 -5.297 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 149582  
ATOM 2484d H1 TIP3W7519 59.690 -15.123 -4.655 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 149583  
ATOM 2484e H2 TIP3W7519 60.109 -15.243 -6.105 0.00 0.00 WT7  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 24850  
Duplicate atom serial number found: 24851  
Duplicate atom serial number found: 24852  
Duplicate atom serial number found: 24853  
Duplicate atom serial number found: 24854  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 149595  
ATOM 2485a H2 TIP3W7529 -4.955 42.013 6.031 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 149596  
ATOM 2485b OH2 TIP3W7530 -53.084 11.536 -25.711 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 149597  
ATOM 2485c H1 TIP3W7530 -53.210 12.146 -26.437 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 149598  
ATOM 2485d H2 TIP3W7530 -52.885 10.700 -26.132 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 149599  
ATOM 2485e OH2 TIP3W7531 -49.574 -1.647 -59.817 0.00 0.00 WT7  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 24860  
Duplicate atom serial number found: 24861  
Duplicate atom serial number found: 24862  
Duplicate atom serial number found: 24863  
Duplicate atom serial number found: 24864  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 149611  
ATOM 2486a OH2 TIP3W7540 -12.885 36.193 -0.279 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 149612  
ATOM 2486b H1 TIP3W7540 -12.649 36.668 0.517 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 149613  
ATOM 2486c H2 TIP3W7540 -13.753 35.833 -0.095 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 149614  
ATOM 2486d OH2 TIP3W7542 24.731 -30.889 -39.965 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 149615  
ATOM 2486e H1 TIP3W7542 24.171 -30.653 -39.225 0.00 0.00 WT7  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 24870  
Duplicate atom serial number found: 24871  
Duplicate atom serial number found: 24872  
Duplicate atom serial number found: 24873  
Duplicate atom serial number found: 24874  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 149627  
ATOM 2487a H1 TIP3W7550 -14.761 -43.937 -25.586 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 149628  
ATOM 2487b H2 TIP3W7550 -15.152 -44.022 -24.125 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 149629  
ATOM 2487c OH2 TIP3W7553 -16.271 43.418 -43.603 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 149630  
ATOM 2487d H1 TIP3W7553 -16.556 44.231 -43.185 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 149631  
ATOM 2487e H2 TIP3W7553 -15.566 43.094 -43.042 0.00 0.00 WT7  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 24880  
Duplicate atom serial number found: 24881  
Duplicate atom serial number found: 24882  
Duplicate atom serial number found: 24883  
Duplicate atom serial number found: 24884  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 149643  
ATOM 2488a H2 TIP3W7568 43.018 -49.113 -55.432 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 149644  
ATOM 2488b OH2 TIP3W7571 -51.962 -40.229 -6.693 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 149645  
ATOM 2488c H1 TIP3W7571 -51.562 -40.416 -7.542 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 149646  
ATOM 2488d H2 TIP3W7571 -52.262 -39.322 -6.763 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 149647  
ATOM 2488e OH2 TIP3W7572 32.148 53.650 -55.911 0.00 0.00 WT7  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 24890  
Duplicate atom serial number found: 24891  
Duplicate atom serial number found: 24892  
Duplicate atom serial number found: 24893  
Duplicate atom serial number found: 24894  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 149659  
ATOM 2489a OH2 TIP3W7582 -39.130 52.877 -9.096 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 149660  
ATOM 2489b H1 TIP3W7582 -39.607 53.422 -8.470 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 149661  
ATOM 2489c H2 TIP3W7582 -38.304 52.674 -8.658 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 149662  
ATOM 2489d OH2 TIP3W7583 28.448 29.170 25.853 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 149663  
ATOM 2489e H1 TIP3W7583 27.714 28.980 26.436 0.00 0.00 WT7  
  
97 messages similar to the above omitted  
Duplicate atom serial number found: 24900  
Duplicate atom serial number found: 24901  
Duplicate atom serial number found: 24902  
Duplicate atom serial number found: 24903  
Duplicate atom serial number found: 24904  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 149771  
ATOM 2490a H1 TIP3W7638 10.313 -21.142 -34.206 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 149772  
ATOM 2490b H2 TIP3W7638 10.682 -19.761 -34.703 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 149773  
ATOM 2490c OH2 TIP3W7639 -29.380 53.804 -10.390 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 149774  
ATOM 2490d H1 TIP3W7639 -29.263 54.740 -10.555 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 149775  
ATOM 2490e H2 TIP3W7639 -29.616 53.438 -11.243 0.00 0.00 WT7  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 24910  
Duplicate atom serial number found: 24911  
Duplicate atom serial number found: 24912  
Duplicate atom serial number found: 24913  
Duplicate atom serial number found: 24914  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 149787  
ATOM 2491a H2 TIP3W7643 31.468 59.044 -52.201 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 149788  
ATOM 2491b OH2 TIP3W7644 -16.650 -12.174 35.558 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 149789  
ATOM 2491c H1 TIP3W7644 -15.772 -12.396 35.247 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 149790  
ATOM 2491d H2 TIP3W7644 -17.208 -12.264 34.786 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 149791  
ATOM 2491e OH2 TIP3W7645 -29.781 -45.252 21.026 0.00 0.00 WT7  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 24920  
Duplicate atom serial number found: 24921  
Duplicate atom serial number found: 24922  
Duplicate atom serial number found: 24923  
Duplicate atom serial number found: 24924  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 149803  
ATOM 2492a OH2 TIP3W7650 54.057 -55.407 12.924 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 149804  
ATOM 2492b H1 TIP3W7650 53.537 -55.947 13.519 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 149805  
ATOM 2492c H2 TIP3W7650 53.713 -55.607 12.054 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 149806  
ATOM 2492d OH2 TIP3W7651 11.834 49.635 3.252 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 149807  
ATOM 2492e H1 TIP3W7651 12.192 50.477 3.532 0.00 0.00 WT7  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 24930  
Duplicate atom serial number found: 24931  
Duplicate atom serial number found: 24932  
Duplicate atom serial number found: 24933  
Duplicate atom serial number found: 24934  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 149819  
ATOM 2493a H1 TIP3W7659 39.062 34.437 -48.208 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 149820  
ATOM 2493b H2 TIP3W7659 39.611 33.703 -47.002 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 149821  
ATOM 2493c OH2 TIP3W7661 -23.170 10.262 -32.477 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 149822  
ATOM 2493d H1 TIP3W7661 -23.234 9.471 -33.012 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 149823  
ATOM 2493e H2 TIP3W7661 -22.253 10.527 -32.550 0.00 0.00 WT7  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 24940  
Duplicate atom serial number found: 24941  
Duplicate atom serial number found: 24942  
Duplicate atom serial number found: 24943  
Duplicate atom serial number found: 24944  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 149835  
ATOM 2494a H2 TIP3W7668 5.813 -6.343 51.141 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 149836  
ATOM 2494b OH2 TIP3W7670 59.041 -14.634 -57.262 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 149837  
ATOM 2494c H1 TIP3W7670 58.405 -15.346 -57.202 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 149838  
ATOM 2494d H2 TIP3W7670 59.072 -14.264 -56.379 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 149839  
ATOM 2494e OH2 TIP3W7672 54.372 14.130 -48.976 0.00 0.00 WT7  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 24950  
Duplicate atom serial number found: 24951  
Duplicate atom serial number found: 24952  
Duplicate atom serial number found: 24953  
Duplicate atom serial number found: 24954  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 149851  
ATOM 2495a OH2 TIP3W7678 -34.037 9.150 -17.687 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 149852  
ATOM 2495b H1 TIP3W7678 -33.697 8.276 -17.494 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 149853  
ATOM 2495c H2 TIP3W7678 -34.716 9.003 -18.345 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 149854  
ATOM 2495d OH2 TIP3W7679 -45.430 42.072 -40.118 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 149855  
ATOM 2495e H1 TIP3W7679 -46.026 42.815 -40.216 0.00 0.00 WT7  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 24960  
Duplicate atom serial number found: 24961  
Duplicate atom serial number found: 24962  
Duplicate atom serial number found: 24963  
Duplicate atom serial number found: 24964  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 149867  
ATOM 2496a H1 TIP3W7683 -36.067 -16.534 -2.050 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 149868  
ATOM 2496b H2 TIP3W7683 -36.745 -15.254 -1.610 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 149869  
ATOM 2496c OH2 TIP3W7689 -54.789 28.126 24.991 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 149870  
ATOM 2496d H1 TIP3W7689 -53.935 28.422 24.673 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 149871  
ATOM 2496e H2 TIP3W7689 -55.422 28.578 24.433 0.00 0.00 WT7  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 24970  
Duplicate atom serial number found: 24971  
Duplicate atom serial number found: 24972  
Duplicate atom serial number found: 24973  
Duplicate atom serial number found: 24974  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 149883  
ATOM 2497a H2 TIP3W7695 -0.393 17.945 -32.879 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 149884  
ATOM 2497b OH2 TIP3W7697 -1.643 -0.671 -58.939 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 149885  
ATOM 2497c H1 TIP3W7697 -1.226 -1.189 -58.250 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 149886  
ATOM 2497d H2 TIP3W7697 -1.076 0.093 -59.042 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 149887  
ATOM 2497e OH2 TIP3W7698 39.328 32.746 -8.778 0.00 0.00 WT7  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 24980  
Duplicate atom serial number found: 24981  
Duplicate atom serial number found: 24982  
Duplicate atom serial number found: 24983  
Duplicate atom serial number found: 24984  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 149899  
ATOM 2498a OH2 TIP3W7702 -58.309 -31.760 14.121 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 149900  
ATOM 2498b H1 TIP3W7702 -57.980 -31.071 14.699 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 149901  
ATOM 2498c H2 TIP3W7702 -59.223 -31.525 13.964 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 149902  
ATOM 2498d OH2 TIP3W7704 31.385 52.028 -23.313 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 149903  
ATOM 2498e H1 TIP3W7704 32.280 51.736 -23.143 0.00 0.00 WT7  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 24990  
Duplicate atom serial number found: 24991  
Duplicate atom serial number found: 24992  
Duplicate atom serial number found: 24993  
Duplicate atom serial number found: 24994  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 149915  
ATOM 2499a H1 TIP3W7710 -1.166 -38.808 -16.079 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 149916  
ATOM 2499b H2 TIP3W7710 0.240 -39.100 -15.598 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 149917  
ATOM 2499c OH2 TIP3W7711 46.994 -17.787 17.896 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 149918  
ATOM 2499d H1 TIP3W7711 46.416 -17.786 17.133 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 149919  
ATOM 2499e H2 TIP3W7711 46.401 -17.729 18.645 0.00 0.00 WT7  
  
1633 messages similar to the above omitted  
Duplicate atom serial number found: 25000  
Duplicate atom serial number found: 25001  
Duplicate atom serial number found: 25002  
Duplicate atom serial number found: 25003  
Duplicate atom serial number found: 25004  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 151563  
ATOM 2500a H2 TIP3W8759 30.575 40.261 -47.893 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 151564  
ATOM 2500b OH2 TIP3W8760 15.749 5.605 -17.891 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 151565  
ATOM 2500c H1 TIP3W8760 14.996 5.945 -18.375 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 151566  
ATOM 2500d H2 TIP3W8760 16.498 6.084 -18.244 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 151567  
ATOM 2500e OH2 TIP3W8761 32.167 -22.475 -46.066 0.00 0.00 WT7  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 25010  
Duplicate atom serial number found: 25011  
Duplicate atom serial number found: 25012  
Duplicate atom serial number found: 25013  
Duplicate atom serial number found: 25014  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 151579  
ATOM 2501a OH2 TIP3W8779 -7.788 51.789 24.574 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 151580  
ATOM 2501b H1 TIP3W8779 -7.383 50.921 24.572 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 151581  
ATOM 2501c H2 TIP3W8779 -8.703 51.627 24.347 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 151582  
ATOM 2501d OH2 TIP3W8780 -19.499 -16.738 -45.377 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 151583  
ATOM 2501e H1 TIP3W8780 -19.053 -16.540 -46.201 0.00 0.00 WT7  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 25020  
Duplicate atom serial number found: 25021  
Duplicate atom serial number found: 25022  
Duplicate atom serial number found: 25023  
Duplicate atom serial number found: 25024  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 151595  
ATOM 2502a H1 TIP3W8800 -14.068 12.738 -52.404 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 151596  
ATOM 2502b H2 TIP3W8800 -15.318 12.676 -51.553 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 151597  
ATOM 2502c OH2 TIP3W8801 18.908 45.295 27.020 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 151598  
ATOM 2502d H1 TIP3W8801 19.098 44.623 27.675 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 151599  
ATOM 2502e H2 TIP3W8801 17.973 45.195 26.838 0.00 0.00 WT7  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 25030  
Duplicate atom serial number found: 25031  
Duplicate atom serial number found: 25032  
Duplicate atom serial number found: 25033  
Duplicate atom serial number found: 25034  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 151611  
ATOM 2503a H2 TIP3W8809 60.107 -38.436 3.695 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 151612  
ATOM 2503b OH2 TIP3W8813 -49.201 -16.523 -23.154 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 151613  
ATOM 2503c H1 TIP3W8813 -48.912 -17.422 -23.310 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 151614  
ATOM 2503d H2 TIP3W8813 -48.397 -16.004 -23.182 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 151615  
ATOM 2503e OH2 TIP3W8816 -14.024 25.051 -53.805 0.00 0.00 WT7  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 25040  
Duplicate atom serial number found: 25041  
Duplicate atom serial number found: 25042  
Duplicate atom serial number found: 25043  
Duplicate atom serial number found: 25044  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 151627  
ATOM 2504a OH2 TIP3W8829 -11.840 -9.994 -52.394 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 151628  
ATOM 2504b H1 TIP3W8829 -11.584 -9.280 -52.978 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 151629  
ATOM 2504c H2 TIP3W8829 -11.395 -9.801 -51.569 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 151630  
ATOM 2504d OH2 TIP3W8833 -17.961 -37.697 -35.680 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 151631  
ATOM 2504e H1 TIP3W8833 -17.833 -37.582 -36.621 0.00 0.00 WT7  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 25050  
Duplicate atom serial number found: 25051  
Duplicate atom serial number found: 25052  
Duplicate atom serial number found: 25053  
Duplicate atom serial number found: 25054  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 151643  
ATOM 2505a H1 TIP3W8843 -27.848 27.474 58.894 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 151644  
ATOM 2505b H2 TIP3W8843 -27.626 26.581 60.096 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 151645  
ATOM 2505c OH2 TIP3W8845 -54.022 -32.472 37.744 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 151646  
ATOM 2505d H1 TIP3W8845 -54.474 -33.248 37.413 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 151647  
ATOM 2505e H2 TIP3W8845 -53.117 -32.577 37.449 0.00 0.00 WT7  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 25060  
Duplicate atom serial number found: 25061  
Duplicate atom serial number found: 25062  
Duplicate atom serial number found: 25063  
Duplicate atom serial number found: 25064  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 151659  
ATOM 2506a H2 TIP3W8849 -20.161 1.903 57.325 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 151660  
ATOM 2506b OH2 TIP3W8850 15.413 -4.000 58.916 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 151661  
ATOM 2506c H1 TIP3W8850 15.624 -3.308 59.542 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 151662  
ATOM 2506d H2 TIP3W8850 15.018 -4.692 59.447 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 151663  
ATOM 2506e OH2 TIP3W8851 -37.515 -3.584 48.326 0.00 0.00 WT7  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 25070  
Duplicate atom serial number found: 25071  
Duplicate atom serial number found: 25072  
Duplicate atom serial number found: 25073  
Duplicate atom serial number found: 25074  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 151675  
ATOM 2507a OH2 TIP3W8858 34.093 25.109 60.176 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 151676  
ATOM 2507b H1 TIP3W8858 33.907 24.204 60.426 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 151677  
ATOM 2507c H2 TIP3W8858 34.393 25.525 60.984 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 151678  
ATOM 2507d OH2 TIP3W8865 -36.567 -46.974 30.800 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 151679  
ATOM 2507e H1 TIP3W8865 -36.816 -46.976 31.724 0.00 0.00 WT7  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 25080  
Duplicate atom serial number found: 25081  
Duplicate atom serial number found: 25082  
Duplicate atom serial number found: 25083  
Duplicate atom serial number found: 25084  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 151691  
ATOM 2508a H1 TIP3W8870 -51.034 21.722 37.961 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 151692  
ATOM 2508b H2 TIP3W8870 -50.247 20.431 37.870 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 151693  
ATOM 2508c OH2 TIP3W8874 -26.945 2.516 36.995 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 151694  
ATOM 2508d H1 TIP3W8874 -26.034 2.532 37.288 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 151695  
ATOM 2508e H2 TIP3W8874 -26.890 2.532 36.040 0.00 0.00 WT7  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 25090  
Duplicate atom serial number found: 25091  
Duplicate atom serial number found: 25092  
Duplicate atom serial number found: 25093  
Duplicate atom serial number found: 25094  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 151707  
ATOM 2509a H2 TIP3W8885 15.446 -20.939 -31.297 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 151708  
ATOM 2509b OH2 TIP3W8886 -52.707 60.323 -59.520 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 151709  
ATOM 2509c H1 TIP3W8886 -53.113 59.526 -59.182 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 151710  
ATOM 2509d H2 TIP3W8886 -53.081 61.027 -58.990 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 151711  
ATOM 2509e OH2 TIP3W8887 24.656 20.131 -8.716 0.00 0.00 WT7  
  
97 messages similar to the above omitted  
Duplicate atom serial number found: 25100  
Duplicate atom serial number found: 25101  
Duplicate atom serial number found: 25102  
Duplicate atom serial number found: 25103  
Duplicate atom serial number found: 25104  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 151819  
ATOM 2510a OH2 TIP3W8959 57.014 32.244 -19.764 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 151820  
ATOM 2510b H1 TIP3W8959 57.084 33.061 -20.258 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 151821  
ATOM 2510c H2 TIP3W8959 57.537 31.616 -20.263 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 151822  
ATOM 2510d OH2 TIP3W8960 -7.912 -32.961 1.490 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 151823  
ATOM 2510e H1 TIP3W8960 -7.509 -32.110 1.318 0.00 0.00 WT7  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 25110  
Duplicate atom serial number found: 25111  
Duplicate atom serial number found: 25112  
Duplicate atom serial number found: 25113  
Duplicate atom serial number found: 25114  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 151835  
ATOM 2511a H1 TIP3W8964 4.521 35.578 -19.036 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 151836  
ATOM 2511b H2 TIP3W8964 4.990 34.621 -17.962 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 151837  
ATOM 2511c OH2 TIP3W8965 -7.467 27.544 7.568 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 151838  
ATOM 2511d H1 TIP3W8965 -6.737 27.805 7.007 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 151839  
ATOM 2511e H2 TIP3W8965 -8.169 27.317 6.958 0.00 0.00 WT7  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 25120  
Duplicate atom serial number found: 25121  
Duplicate atom serial number found: 25122  
Duplicate atom serial number found: 25123  
Duplicate atom serial number found: 25124  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 151851  
ATOM 2512a H2 TIP3W8973 3.533 44.977 -43.320 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 151852  
ATOM 2512b OH2 TIP3W8975 23.034 5.283 -41.189 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 151853  
ATOM 2512c H1 TIP3W8975 23.300 4.370 -41.079 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 151854  
ATOM 2512d H2 TIP3W8975 22.795 5.354 -42.113 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 151855  
ATOM 2512e OH2 TIP3W8976 32.277 -38.750 7.117 0.00 0.00 WT7  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 25130  
Duplicate atom serial number found: 25131  
Duplicate atom serial number found: 25132  
Duplicate atom serial number found: 25133  
Duplicate atom serial number found: 25134  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 151867  
ATOM 2513a OH2 TIP3W8982 -45.252 -20.209 42.267 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 151868  
ATOM 2513b H1 TIP3W8982 -45.023 -21.132 42.157 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 151869  
ATOM 2513c H2 TIP3W8982 -44.446 -19.736 42.061 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 151870  
ATOM 2513d OH2 TIP3W8984 -20.215 11.922 -53.417 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 151871  
ATOM 2513e H1 TIP3W8984 -19.976 12.623 -52.811 0.00 0.00 WT7  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 25140  
Duplicate atom serial number found: 25141  
Duplicate atom serial number found: 25142  
Duplicate atom serial number found: 25143  
Duplicate atom serial number found: 25144  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 151883  
ATOM 2514a H1 TIP3W8990 32.828 40.426 -52.103 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 151884  
ATOM 2514b H2 TIP3W8990 31.903 39.322 -52.567 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 151885  
ATOM 2514c OH2 TIP3W8994 6.182 5.806 54.776 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 151886  
ATOM 2514d H1 TIP3W8994 5.546 6.501 54.609 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 151887  
ATOM 2514e H2 TIP3W8994 6.471 5.531 53.906 0.00 0.00 WT7  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 25150  
Duplicate atom serial number found: 25151  
Duplicate atom serial number found: 25152  
Duplicate atom serial number found: 25153  
Duplicate atom serial number found: 25154  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 151899  
ATOM 2515a H2 TIP3W9004 -30.666 57.126 -55.653 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 151900  
ATOM 2515b OH2 TIP3W9005 48.455 -24.221 -55.450 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 151901  
ATOM 2515c H1 TIP3W9005 47.682 -23.817 -55.843 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 151902  
ATOM 2515d H2 TIP3W9005 48.619 -24.997 -55.985 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 151903  
ATOM 2515e OH2 TIP3W9006 -8.550 -45.509 1.069 0.00 0.00 WT7  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 25160  
Duplicate atom serial number found: 25161  
Duplicate atom serial number found: 25162  
Duplicate atom serial number found: 25163  
Duplicate atom serial number found: 25164  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 151915  
ATOM 2516a OH2 TIP3W9015 -13.569 36.017 35.778 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 151916  
ATOM 2516b H1 TIP3W9015 -13.756 36.928 36.003 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 151917  
ATOM 2516c H2 TIP3W9015 -12.953 35.725 36.450 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 151918  
ATOM 2516d OH2 TIP3W9019 0.464 56.423 -56.689 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 151919  
ATOM 2516e H1 TIP3W9019 0.863 55.590 -56.437 0.00 0.00 WT7  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 25170  
Duplicate atom serial number found: 25171  
Duplicate atom serial number found: 25172  
Duplicate atom serial number found: 25173  
Duplicate atom serial number found: 25174  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 151931  
ATOM 2517a H1 TIP3W9027 -59.857 16.064 8.231 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 151932  
ATOM 2517b H2 TIP3W9027 -61.290 16.342 7.830 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 151933  
ATOM 2517c OH2 TIP3W9028 -46.540 20.904 -36.619 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 151934  
ATOM 2517d H1 TIP3W9028 -46.134 20.337 -35.963 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 151935  
ATOM 2517e H2 TIP3W9028 -45.884 21.581 -36.789 0.00 0.00 WT7  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 25180  
Duplicate atom serial number found: 25181  
Duplicate atom serial number found: 25182  
Duplicate atom serial number found: 25183  
Duplicate atom serial number found: 25184  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 151947  
ATOM 2518a H2 TIP3W9034 5.258 1.522 54.933 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 151948  
ATOM 2518b OH2 TIP3W9035 -6.967 46.926 -46.750 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 151949  
ATOM 2518c H1 TIP3W9035 -6.890 47.003 -45.799 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 151950  
ATOM 2518d H2 TIP3W9035 -7.855 47.226 -46.944 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 151951  
ATOM 2518e OH2 TIP3W9037 -9.132 -31.745 -33.585 0.00 0.00 WT7  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 25190  
Duplicate atom serial number found: 25191  
Duplicate atom serial number found: 25192  
Duplicate atom serial number found: 25193  
Duplicate atom serial number found: 25194  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 151963  
ATOM 2519a OH2 TIP3W9042 5.585 46.814 43.028 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 151964  
ATOM 2519b H1 TIP3W9042 4.668 47.056 43.161 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 151965  
ATOM 2519c H2 TIP3W9042 5.552 45.902 42.737 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 151966  
ATOM 2519d OH2 TIP3W9044 -21.270 32.190 23.058 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 151967  
ATOM 2519e H1 TIP3W9044 -20.449 31.888 22.669 0.00 0.00 WT7  
  
97 messages similar to the above omitted  
Duplicate atom serial number found: 25200  
Duplicate atom serial number found: 25201  
Duplicate atom serial number found: 25202  
Duplicate atom serial number found: 25203  
Duplicate atom serial number found: 25204  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 152075  
ATOM 2520a H1 TIP3W9102 -41.922 37.650 -30.602 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 152076  
ATOM 2520b H2 TIP3W9102 -41.402 38.253 -29.314 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 152077  
ATOM 2520c OH2 TIP3W9104 -47.278 -22.316 -13.898 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 152078  
ATOM 2520d H1 TIP3W9104 -47.769 -21.679 -13.379 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 152079  
ATOM 2520e H2 TIP3W9104 -47.891 -23.038 -14.034 0.00 0.00 WT7  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 25210  
Duplicate atom serial number found: 25211  
Duplicate atom serial number found: 25212  
Duplicate atom serial number found: 25213  
Duplicate atom serial number found: 25214  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 152091  
ATOM 2521a H2 TIP3W9109 42.151 -51.918 2.937 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 152092  
ATOM 2521b OH2 TIP3W9110 1.438 39.607 -33.776 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 152093  
ATOM 2521c H1 TIP3W9110 1.394 39.222 -34.651 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 152094  
ATOM 2521d H2 TIP3W9110 0.605 40.067 -33.673 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 152095  
ATOM 2521e OH2 TIP3W9115 -37.575 40.750 6.829 0.00 0.00 WT7  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 25220  
Duplicate atom serial number found: 25221  
Duplicate atom serial number found: 25222  
Duplicate atom serial number found: 25223  
Duplicate atom serial number found: 25224  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 152107  
ATOM 2522a OH2 TIP3W9124 -25.702 55.497 60.047 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 152108  
ATOM 2522b H1 TIP3W9124 -25.139 54.732 60.161 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 152109  
ATOM 2522c H2 TIP3W9124 -25.298 56.176 60.588 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 152110  
ATOM 2522d OH2 TIP3W9125 29.168 10.224 27.919 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 152111  
ATOM 2522e H1 TIP3W9125 29.258 9.636 27.169 0.00 0.00 WT7  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 25230  
Duplicate atom serial number found: 25231  
Duplicate atom serial number found: 25232  
Duplicate atom serial number found: 25233  
Duplicate atom serial number found: 25234  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 152123  
ATOM 2523a H1 TIP3W9130 -52.575 -36.215 -3.309 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 152124  
ATOM 2523b H2 TIP3W9130 -53.680 -36.069 -2.284 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 152125  
ATOM 2523c OH2 TIP3W9132 -16.200 -52.973 -24.751 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 152126  
ATOM 2523d H1 TIP3W9132 -16.007 -52.839 -23.824 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 152127  
ATOM 2523e H2 TIP3W9132 -15.598 -53.664 -25.025 0.00 0.00 WT7  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 25240  
Duplicate atom serial number found: 25241  
Duplicate atom serial number found: 25242  
Duplicate atom serial number found: 25243  
Duplicate atom serial number found: 25244  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 152139  
ATOM 2524a H2 TIP3W9136 -54.050 35.352 -18.398 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 152140  
ATOM 2524b OH2 TIP3W9142 29.360 -25.133 58.101 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 152141  
ATOM 2524c H1 TIP3W9142 29.545 -26.059 57.948 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 152142  
ATOM 2524d H2 TIP3W9142 29.396 -25.035 59.052 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 152143  
ATOM 2524e OH2 TIP3W9144 -27.718 39.946 -38.402 0.00 0.00 WT7  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 25250  
Duplicate atom serial number found: 25251  
Duplicate atom serial number found: 25252  
Duplicate atom serial number found: 25253  
Duplicate atom serial number found: 25254  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 152155  
ATOM 2525a OH2 TIP3W9157 -16.825 24.318 -46.941 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 152156  
ATOM 2525b H1 TIP3W9157 -17.275 25.150 -46.789 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 152157  
ATOM 2525c H2 TIP3W9157 -15.898 24.520 -46.814 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 152158  
ATOM 2525d OH2 TIP3W9161 18.300 22.155 -28.559 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 152159  
ATOM 2525e H1 TIP3W9161 18.952 22.815 -28.798 0.00 0.00 WT7  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 25260  
Duplicate atom serial number found: 25261  
Duplicate atom serial number found: 25262  
Duplicate atom serial number found: 25263  
Duplicate atom serial number found: 25264  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 152171  
ATOM 2526a H1 TIP3W9169 3.336 -58.364 -39.684 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 152172  
ATOM 2526b H2 TIP3W9169 4.280 -58.559 -40.852 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 152173  
ATOM 2526c OH2 TIP3W9170 -55.307 55.834 -44.721 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 152174  
ATOM 2526d H1 TIP3W9170 -54.929 56.158 -45.539 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 152175  
ATOM 2526e H2 TIP3W9170 -54.584 55.864 -44.094 0.00 0.00 WT7  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 25270  
Duplicate atom serial number found: 25271  
Duplicate atom serial number found: 25272  
Duplicate atom serial number found: 25273  
Duplicate atom serial number found: 25274  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 152187  
ATOM 2527a H2 TIP3W9179 -41.391 -28.495 40.336 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 152188  
ATOM 2527b OH2 TIP3W9181 -32.412 -55.734 25.026 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 152189  
ATOM 2527c H1 TIP3W9181 -32.231 -56.110 25.887 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 152190  
ATOM 2527d H2 TIP3W9181 -31.548 -55.593 24.639 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 152191  
ATOM 2527e OH2 TIP3W9183 30.643 28.110 -6.309 0.00 0.00 WT7  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 25280  
Duplicate atom serial number found: 25281  
Duplicate atom serial number found: 25282  
Duplicate atom serial number found: 25283  
Duplicate atom serial number found: 25284  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 152203  
ATOM 2528a OH2 TIP3W9196 -49.050 -18.939 39.261 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 152204  
ATOM 2528b H1 TIP3W9196 -48.540 -18.266 38.811 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 152205  
ATOM 2528c H2 TIP3W9196 -49.903 -18.924 38.826 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 152206  
ATOM 2528d OH2 TIP3W9197 16.025 30.067 -4.794 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 152207  
ATOM 2528e H1 TIP3W9197 15.562 29.368 -5.256 0.00 0.00 WT7  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 25290  
Duplicate atom serial number found: 25291  
Duplicate atom serial number found: 25292  
Duplicate atom serial number found: 25293  
Duplicate atom serial number found: 25294  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 152219  
ATOM 2529a H1 TIP3W9206 30.159 -40.448 53.211 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 152220  
ATOM 2529b H2 TIP3W9206 29.448 -40.982 51.986 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 152221  
ATOM 2529c OH2 TIP3W9207 -50.904 -16.948 -60.612 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 152222  
ATOM 2529d H1 TIP3W9207 -51.590 -16.671 -60.004 0.00 0.00 WT7  
  
Ignored bad PDB record found on line 152223  
ATOM 2529e H2 TIP3W9207 -50.704 -17.848 -60.354 0.00 0.00 WT7  
  
97 messages similar to the above omitted  
Duplicate atom serial number found: 25300  
Duplicate atom serial number found: 25301  
Duplicate atom serial number found: 25302  
Duplicate atom serial number found: 25303  
Duplicate atom serial number found: 25304  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 152331  
ATOM 2530a H2 TIP3W 64 11.029 10.986 -11.848 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 152332  
ATOM 2530b OH2 TIP3W 66 48.414 -18.174 45.471 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 152333  
ATOM 2530c H1 TIP3W 66 48.816 -17.877 46.288 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 152334  
ATOM 2530d H2 TIP3W 66 48.827 -19.018 45.293 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 152335  
ATOM 2530e OH2 TIP3W 67 -0.231 23.223 -59.240 0.00 0.00 WT8  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 25310  
Duplicate atom serial number found: 25311  
Duplicate atom serial number found: 25312  
Duplicate atom serial number found: 25313  
Duplicate atom serial number found: 25314  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 152347  
ATOM 2531a OH2 TIP3W 76 -7.353 -8.311 35.096 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 152348  
ATOM 2531b H1 TIP3W 76 -7.801 -7.487 34.902 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 152349  
ATOM 2531c H2 TIP3W 76 -7.965 -8.791 35.654 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 152350  
ATOM 2531d OH2 TIP3W 78 -18.124 -15.879 -47.565 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 152351  
ATOM 2531e H1 TIP3W 78 -17.898 -14.951 -47.627 0.00 0.00 WT8  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 25320  
Duplicate atom serial number found: 25321  
Duplicate atom serial number found: 25322  
Duplicate atom serial number found: 25323  
Duplicate atom serial number found: 25324  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 152363  
ATOM 2532a H1 TIP3W 95 22.075 -9.171 -56.591 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 152364  
ATOM 2532b H2 TIP3W 95 21.333 -8.013 -55.959 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 152365  
ATOM 2532c OH2 TIP3W 97 34.869 20.317 -36.888 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 152366  
ATOM 2532d H1 TIP3W 97 35.351 19.506 -36.729 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 152367  
ATOM 2532e H2 TIP3W 97 33.980 20.131 -36.584 0.00 0.00 WT8  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 25330  
Duplicate atom serial number found: 25331  
Duplicate atom serial number found: 25332  
Duplicate atom serial number found: 25333  
Duplicate atom serial number found: 25334  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 152379  
ATOM 2533a H2 TIP3W 110 -16.431 51.333 -19.222 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 152380  
ATOM 2533b OH2 TIP3W 112 -31.877 49.244 10.141 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 152381  
ATOM 2533c H1 TIP3W 112 -31.433 48.741 9.458 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 152382  
ATOM 2533d H2 TIP3W 112 -32.779 49.324 9.831 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 152383  
ATOM 2533e OH2 TIP3W 113 -54.650 55.787 -40.042 0.00 0.00 WT8  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 25340  
Duplicate atom serial number found: 25341  
Duplicate atom serial number found: 25342  
Duplicate atom serial number found: 25343  
Duplicate atom serial number found: 25344  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 152395  
ATOM 2534a OH2 TIP3W 120 -37.825 -2.563 -58.155 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 152396  
ATOM 2534b H1 TIP3W 120 -37.822 -1.663 -58.481 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 152397  
ATOM 2534c H2 TIP3W 120 -37.345 -2.520 -57.328 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 152398  
ATOM 2534d OH2 TIP3W 122 14.399 -4.690 11.652 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 152399  
ATOM 2534e H1 TIP3W 122 14.914 -3.993 11.245 0.00 0.00 WT8  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 25350  
Duplicate atom serial number found: 25351  
Duplicate atom serial number found: 25352  
Duplicate atom serial number found: 25353  
Duplicate atom serial number found: 25354  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 152411  
ATOM 2535a H1 TIP3W 131 15.963 -54.813 59.080 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 152412  
ATOM 2535b H2 TIP3W 131 16.431 -53.487 59.642 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 152413  
ATOM 2535c OH2 TIP3W 133 -30.215 -8.535 25.149 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 152414  
ATOM 2535d H1 TIP3W 133 -29.695 -7.764 24.924 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 152415  
ATOM 2535e H2 TIP3W 133 -30.333 -8.476 26.098 0.00 0.00 WT8  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 25360  
Duplicate atom serial number found: 25361  
Duplicate atom serial number found: 25362  
Duplicate atom serial number found: 25363  
Duplicate atom serial number found: 25364  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 152427  
ATOM 2536a H2 TIP3W 138 53.382 59.817 -14.353 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 152428  
ATOM 2536b OH2 TIP3W 142 33.537 -1.744 23.510 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 152429  
ATOM 2536c H1 TIP3W 142 34.271 -1.751 24.124 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 152430  
ATOM 2536d H2 TIP3W 142 33.493 -2.640 23.178 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 152431  
ATOM 2536e OH2 TIP3W 143 -23.414 -23.306 -57.200 0.00 0.00 WT8  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 25370  
Duplicate atom serial number found: 25371  
Duplicate atom serial number found: 25372  
Duplicate atom serial number found: 25373  
Duplicate atom serial number found: 25374  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 152443  
ATOM 2537a OH2 TIP3W 152 -12.719 48.425 53.438 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 152444  
ATOM 2537b H1 TIP3W 152 -12.575 49.365 53.333 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 152445  
ATOM 2537c H2 TIP3W 152 -13.092 48.144 52.602 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 152446  
ATOM 2537d OH2 TIP3W 153 -37.810 26.667 26.731 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 152447  
ATOM 2537e H1 TIP3W 153 -37.142 26.062 26.408 0.00 0.00 WT8  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 25380  
Duplicate atom serial number found: 25381  
Duplicate atom serial number found: 25382  
Duplicate atom serial number found: 25383  
Duplicate atom serial number found: 25384  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 152459  
ATOM 2538a H1 TIP3W 160 11.356 6.511 -60.990 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 152460  
ATOM 2538b H2 TIP3W 160 9.855 6.485 -61.188 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 152461  
ATOM 2538c OH2 TIP3W 162 32.940 16.089 20.847 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 152462  
ATOM 2538d H1 TIP3W 162 32.426 15.760 21.584 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 152463  
ATOM 2538e H2 TIP3W 162 32.954 17.039 20.969 0.00 0.00 WT8  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 25390  
Duplicate atom serial number found: 25391  
Duplicate atom serial number found: 25392  
Duplicate atom serial number found: 25393  
Duplicate atom serial number found: 25394  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 152475  
ATOM 2539a H2 TIP3W 170 -26.138 -39.333 -59.898 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 152476  
ATOM 2539b OH2 TIP3W 174 50.892 10.225 -25.414 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 152477  
ATOM 2539c H1 TIP3W 174 51.427 10.388 -24.637 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 152478  
ATOM 2539d H2 TIP3W 174 50.183 9.663 -25.103 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 152479  
ATOM 2539e OH2 TIP3W 175 -1.143 -17.563 54.625 0.00 0.00 WT8  
  
97 messages similar to the above omitted  
Duplicate atom serial number found: 25400  
Duplicate atom serial number found: 25401  
Duplicate atom serial number found: 25402  
Duplicate atom serial number found: 25403  
Duplicate atom serial number found: 25404  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 152587  
ATOM 2540a OH2 TIP3W 239 11.800 23.317 42.748 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 152588  
ATOM 2540b H1 TIP3W 239 12.372 24.014 43.069 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 152589  
ATOM 2540c H2 TIP3W 239 12.398 22.625 42.468 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 152590  
ATOM 2540d OH2 TIP3W 242 -55.108 -46.361 54.821 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 152591  
ATOM 2540e H1 TIP3W 242 -54.653 -46.784 55.549 0.00 0.00 WT8  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 25410  
Duplicate atom serial number found: 25411  
Duplicate atom serial number found: 25412  
Duplicate atom serial number found: 25413  
Duplicate atom serial number found: 25414  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 152603  
ATOM 2541a H1 TIP3W 251 23.642 -42.499 39.305 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 152604  
ATOM 2541b H2 TIP3W 251 22.337 -42.643 38.551 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 152605  
ATOM 2541c OH2 TIP3W 252 -47.538 -12.908 -50.948 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 152606  
ATOM 2541d H1 TIP3W 252 -48.148 -13.625 -50.775 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 152607  
ATOM 2541e H2 TIP3W 252 -46.843 -13.304 -51.472 0.00 0.00 WT8  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 25420  
Duplicate atom serial number found: 25421  
Duplicate atom serial number found: 25422  
Duplicate atom serial number found: 25423  
Duplicate atom serial number found: 25424  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 152619  
ATOM 2542a H2 TIP3W 258 3.402 -57.472 36.071 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 152620  
ATOM 2542b OH2 TIP3W 259 -5.643 6.900 35.019 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 152621  
ATOM 2542c H1 TIP3W 259 -5.674 6.049 35.456 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 152622  
ATOM 2542d H2 TIP3W 259 -4.987 7.397 35.507 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 152623  
ATOM 2542e OH2 TIP3W 260 38.024 21.764 -37.890 0.00 0.00 WT8  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 25430  
Duplicate atom serial number found: 25431  
Duplicate atom serial number found: 25432  
Duplicate atom serial number found: 25433  
Duplicate atom serial number found: 25434  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 152635  
ATOM 2543a OH2 TIP3W 266 0.305 48.844 -60.725 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 152636  
ATOM 2543b H1 TIP3W 266 0.504 49.509 -61.385 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 152637  
ATOM 2543c H2 TIP3W 266 1.066 48.847 -60.145 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 152638  
ATOM 2543d OH2 TIP3W 267 2.465 -29.394 -20.982 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 152639  
ATOM 2543e H1 TIP3W 267 2.785 -28.577 -21.363 0.00 0.00 WT8  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 25440  
Duplicate atom serial number found: 25441  
Duplicate atom serial number found: 25442  
Duplicate atom serial number found: 25443  
Duplicate atom serial number found: 25444  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 152651  
ATOM 2544a H1 TIP3W 281 30.131 -30.339 -2.218 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 152652  
ATOM 2544b H2 TIP3W 281 28.764 -30.946 -2.452 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 152653  
ATOM 2544c OH2 TIP3W 282 -28.874 31.732 0.685 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 152654  
ATOM 2544d H1 TIP3W 282 -29.638 31.161 0.764 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 152655  
ATOM 2544e H2 TIP3W 282 -28.211 31.326 1.243 0.00 0.00 WT8  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 25450  
Duplicate atom serial number found: 25451  
Duplicate atom serial number found: 25452  
Duplicate atom serial number found: 25453  
Duplicate atom serial number found: 25454  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 152667  
ATOM 2545a H2 TIP3W 291 -33.145 12.123 17.380 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 152668  
ATOM 2545b OH2 TIP3W 292 22.026 4.611 -29.538 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 152669  
ATOM 2545c H1 TIP3W 292 22.540 4.724 -30.338 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 152670  
ATOM 2545d H2 TIP3W 292 22.589 4.949 -28.842 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 152671  
ATOM 2545e OH2 TIP3W 295 -55.674 -56.426 4.279 0.00 0.00 WT8  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 25460  
Duplicate atom serial number found: 25461  
Duplicate atom serial number found: 25462  
Duplicate atom serial number found: 25463  
Duplicate atom serial number found: 25464  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 152683  
ATOM 2546a OH2 TIP3W 303 9.167 -36.971 16.677 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 152684  
ATOM 2546b H1 TIP3W 303 9.585 -37.819 16.829 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 152685  
ATOM 2546c H2 TIP3W 303 8.994 -36.629 17.554 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 152686  
ATOM 2546d OH2 TIP3W 305 5.595 3.959 29.547 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 152687  
ATOM 2546e H1 TIP3W 305 4.794 3.992 29.025 0.00 0.00 WT8  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 25470  
Duplicate atom serial number found: 25471  
Duplicate atom serial number found: 25472  
Duplicate atom serial number found: 25473  
Duplicate atom serial number found: 25474  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 152699  
ATOM 2547a H1 TIP3W 311 -19.090 -11.369 -55.096 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 152700  
ATOM 2547b H2 TIP3W 311 -17.890 -11.740 -55.942 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 152701  
ATOM 2547c OH2 TIP3W 316 8.943 49.850 31.118 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 152702  
ATOM 2547d H1 TIP3W 316 8.817 50.583 31.721 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 152703  
ATOM 2547e H2 TIP3W 316 9.294 49.147 31.665 0.00 0.00 WT8  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 25480  
Duplicate atom serial number found: 25481  
Duplicate atom serial number found: 25482  
Duplicate atom serial number found: 25483  
Duplicate atom serial number found: 25484  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 152715  
ATOM 2548a H2 TIP3W 323 -6.561 -33.388 -2.293 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 152716  
ATOM 2548b OH2 TIP3W 325 49.257 -46.092 19.786 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 152717  
ATOM 2548c H1 TIP3W 325 49.126 -46.446 20.666 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 152718  
ATOM 2548d H2 TIP3W 325 49.470 -46.856 19.249 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 152719  
ATOM 2548e OH2 TIP3W 327 -46.296 30.174 60.650 0.00 0.00 WT8  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 25490  
Duplicate atom serial number found: 25491  
Duplicate atom serial number found: 25492  
Duplicate atom serial number found: 25493  
Duplicate atom serial number found: 25494  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 152731  
ATOM 2549a OH2 TIP3W 336 18.330 24.464 -3.463 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 152732  
ATOM 2549b H1 TIP3W 336 17.964 23.698 -3.906 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 152733  
ATOM 2549c H2 TIP3W 336 17.654 24.724 -2.837 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 152734  
ATOM 2549d OH2 TIP3W 338 18.545 17.274 -26.884 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 152735  
ATOM 2549e H1 TIP3W 338 18.767 16.754 -27.657 0.00 0.00 WT8  
  
97 messages similar to the above omitted  
Duplicate atom serial number found: 25500  
Duplicate atom serial number found: 25501  
Duplicate atom serial number found: 25502  
Duplicate atom serial number found: 25503  
Duplicate atom serial number found: 25504  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 152843  
ATOM 2550a H1 TIP3W 462 21.691 -11.970 55.303 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 152844  
ATOM 2550b H2 TIP3W 462 20.472 -11.322 54.682 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 152845  
ATOM 2550c OH2 TIP3W 466 27.308 -47.832 -1.357 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 152846  
ATOM 2550d H1 TIP3W 466 27.400 -48.757 -1.584 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 152847  
ATOM 2550e H2 TIP3W 466 27.309 -47.377 -2.198 0.00 0.00 WT8  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 25510  
Duplicate atom serial number found: 25511  
Duplicate atom serial number found: 25512  
Duplicate atom serial number found: 25513  
Duplicate atom serial number found: 25514  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 152859  
ATOM 2551a H2 TIP3W 485 -39.076 -5.608 23.619 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 152860  
ATOM 2551b OH2 TIP3W 486 -59.745 5.639 -15.489 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 152861  
ATOM 2551c H1 TIP3W 486 -59.940 4.988 -16.164 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 152862  
ATOM 2551d H2 TIP3W 486 -60.597 5.848 -15.105 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 152863  
ATOM 2551e OH2 TIP3W 488 -34.868 32.340 -16.256 0.00 0.00 WT8  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 25520  
Duplicate atom serial number found: 25521  
Duplicate atom serial number found: 25522  
Duplicate atom serial number found: 25523  
Duplicate atom serial number found: 25524  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 152875  
ATOM 2552a OH2 TIP3W 494 30.016 -22.609 16.937 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 152876  
ATOM 2552b H1 TIP3W 494 30.610 -22.607 17.688 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 152877  
ATOM 2552c H2 TIP3W 494 29.565 -23.452 16.989 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 152878  
ATOM 2552d OH2 TIP3W 495 14.268 0.537 -60.281 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 152879  
ATOM 2552e H1 TIP3W 495 13.626 0.084 -60.828 0.00 0.00 WT8  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 25530  
Duplicate atom serial number found: 25531  
Duplicate atom serial number found: 25532  
Duplicate atom serial number found: 25533  
Duplicate atom serial number found: 25534  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 152891  
ATOM 2553a H1 TIP3W 501 44.504 26.660 -11.259 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 152892  
ATOM 2553b H2 TIP3W 501 43.112 26.677 -10.664 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 152893  
ATOM 2553c OH2 TIP3W 503 38.933 -33.092 44.712 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 152894  
ATOM 2553d H1 TIP3W 503 38.656 -32.492 45.404 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 152895  
ATOM 2553e H2 TIP3W 503 38.599 -33.946 44.986 0.00 0.00 WT8  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 25540  
Duplicate atom serial number found: 25541  
Duplicate atom serial number found: 25542  
Duplicate atom serial number found: 25543  
Duplicate atom serial number found: 25544  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 152907  
ATOM 2554a H2 TIP3W 509 -7.198 -0.586 28.222 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 152908  
ATOM 2554b OH2 TIP3W 510 46.287 34.749 -39.362 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 152909  
ATOM 2554c H1 TIP3W 510 46.979 34.673 -40.019 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 152910  
ATOM 2554d H2 TIP3W 510 46.155 33.854 -39.048 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 152911  
ATOM 2554e OH2 TIP3W 511 -42.320 -3.882 -32.535 0.00 0.00 WT8  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 25550  
Duplicate atom serial number found: 25551  
Duplicate atom serial number found: 25552  
Duplicate atom serial number found: 25553  
Duplicate atom serial number found: 25554  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 152923  
ATOM 2555a OH2 TIP3W 516 -48.006 38.435 5.364 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 152924  
ATOM 2555b H1 TIP3W 516 -48.947 38.430 5.190 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 152925  
ATOM 2555c H2 TIP3W 516 -47.635 37.853 4.701 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 152926  
ATOM 2555d OH2 TIP3W 517 -12.427 18.984 8.959 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 152927  
ATOM 2555e H1 TIP3W 517 -13.053 18.260 8.983 0.00 0.00 WT8  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 25560  
Duplicate atom serial number found: 25561  
Duplicate atom serial number found: 25562  
Duplicate atom serial number found: 25563  
Duplicate atom serial number found: 25564  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 152939  
ATOM 2556a H1 TIP3W 529 19.089 -35.661 -7.319 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 152940  
ATOM 2556b H2 TIP3W 529 18.935 -35.005 -5.963 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 152941  
ATOM 2556c OH2 TIP3W 533 -4.406 -23.685 -16.906 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 152942  
ATOM 2556d H1 TIP3W 533 -4.755 -24.572 -16.992 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 152943  
ATOM 2556e H2 TIP3W 533 -5.178 -23.136 -16.765 0.00 0.00 WT8  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 25570  
Duplicate atom serial number found: 25571  
Duplicate atom serial number found: 25572  
Duplicate atom serial number found: 25573  
Duplicate atom serial number found: 25574  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 152955  
ATOM 2557a H2 TIP3W 539 48.788 27.423 37.093 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 152956  
ATOM 2557b OH2 TIP3W 540 49.814 -7.708 -36.474 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 152957  
ATOM 2557c H1 TIP3W 540 50.480 -7.602 -37.153 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 152958  
ATOM 2557d H2 TIP3W 540 49.446 -8.578 -36.633 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 152959  
ATOM 2557e OH2 TIP3W 541 14.095 58.891 47.235 0.00 0.00 WT8  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 25580  
Duplicate atom serial number found: 25581  
Duplicate atom serial number found: 25582  
Duplicate atom serial number found: 25583  
Duplicate atom serial number found: 25584  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 152971  
ATOM 2558a OH2 TIP3W 550 3.437 -42.298 24.772 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 152972  
ATOM 2558b H1 TIP3W 550 3.475 -41.393 25.082 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 152973  
ATOM 2558c H2 TIP3W 550 2.691 -42.316 24.173 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 152974  
ATOM 2558d OH2 TIP3W 552 -40.071 26.720 15.283 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 152975  
ATOM 2558e H1 TIP3W 552 -39.915 26.633 16.224 0.00 0.00 WT8  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 25590  
Duplicate atom serial number found: 25591  
Duplicate atom serial number found: 25592  
Duplicate atom serial number found: 25593  
Duplicate atom serial number found: 25594  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 152987  
ATOM 2559a H1 TIP3W 556 -53.337 51.986 8.944 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 152988  
ATOM 2559b H2 TIP3W 556 -54.522 52.591 9.665 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 152989  
ATOM 2559c OH2 TIP3W 558 -9.457 -54.181 3.631 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 152990  
ATOM 2559d H1 TIP3W 558 -10.360 -53.920 3.449 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 152991  
ATOM 2559e H2 TIP3W 558 -9.539 -55.000 4.121 0.00 0.00 WT8  
  
97 messages similar to the above omitted  
Duplicate atom serial number found: 25600  
Duplicate atom serial number found: 25601  
Duplicate atom serial number found: 25602  
Duplicate atom serial number found: 25603  
Duplicate atom serial number found: 25604  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 153099  
ATOM 2560a H2 TIP3W 626 -56.657 -7.624 -54.213 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 153100  
ATOM 2560b OH2 TIP3W 632 10.033 32.422 21.024 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 153101  
ATOM 2560c H1 TIP3W 632 10.297 33.073 20.373 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 153102  
ATOM 2560d H2 TIP3W 632 9.495 32.910 21.647 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 153103  
ATOM 2560e OH2 TIP3W 634 20.145 31.495 7.863 0.00 0.00 WT8  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 25610  
Duplicate atom serial number found: 25611  
Duplicate atom serial number found: 25612  
Duplicate atom serial number found: 25613  
Duplicate atom serial number found: 25614  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 153115  
ATOM 2561a OH2 TIP3W 638 19.681 -34.462 39.719 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 153116  
ATOM 2561b H1 TIP3W 638 20.214 -34.678 40.484 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 153117  
ATOM 2561c H2 TIP3W 638 18.800 -34.329 40.070 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 153118  
ATOM 2561d OH2 TIP3W 639 5.989 47.188 -13.726 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 153119  
ATOM 2561e H1 TIP3W 639 6.709 46.782 -13.243 0.00 0.00 WT8  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 25620  
Duplicate atom serial number found: 25621  
Duplicate atom serial number found: 25622  
Duplicate atom serial number found: 25623  
Duplicate atom serial number found: 25624  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 153131  
ATOM 2562a H1 TIP3W 644 52.425 -52.719 1.169 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 153132  
ATOM 2562b H2 TIP3W 644 52.875 -53.010 -0.246 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 153133  
ATOM 2562c OH2 TIP3W 646 55.865 28.074 -10.098 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 153134  
ATOM 2562d H1 TIP3W 646 55.020 28.276 -10.499 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 153135  
ATOM 2562e H2 TIP3W 646 56.452 27.923 -10.838 0.00 0.00 WT8  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 25630  
Duplicate atom serial number found: 25631  
Duplicate atom serial number found: 25632  
Duplicate atom serial number found: 25633  
Duplicate atom serial number found: 25634  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 153147  
ATOM 2563a H2 TIP3W 657 27.345 -0.552 49.456 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 153148  
ATOM 2563b OH2 TIP3W 659 35.864 50.245 -29.073 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 153149  
ATOM 2563c H1 TIP3W 659 36.686 50.347 -28.592 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 153150  
ATOM 2563d H2 TIP3W 659 36.128 50.189 -29.991 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 153151  
ATOM 2563e OH2 TIP3W 660 30.142 1.049 19.327 0.00 0.00 WT8  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 25640  
Duplicate atom serial number found: 25641  
Duplicate atom serial number found: 25642  
Duplicate atom serial number found: 25643  
Duplicate atom serial number found: 25644  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 153163  
ATOM 2564a OH2 TIP3W 667 30.807 -11.951 -2.999 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 153164  
ATOM 2564b H1 TIP3W 667 30.964 -12.176 -2.082 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 153165  
ATOM 2564c H2 TIP3W 667 30.055 -12.486 -3.251 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 153166  
ATOM 2564d OH2 TIP3W 668 12.931 14.353 39.925 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 153167  
ATOM 2564e H1 TIP3W 668 13.592 14.493 39.247 0.00 0.00 WT8  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 25650  
Duplicate atom serial number found: 25651  
Duplicate atom serial number found: 25652  
Duplicate atom serial number found: 25653  
Duplicate atom serial number found: 25654  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 153179  
ATOM 2565a H1 TIP3W 674 57.796 58.236 -45.512 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 153180  
ATOM 2565b H2 TIP3W 674 58.828 57.845 -44.475 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 153181  
ATOM 2565c OH2 TIP3W 675 -55.331 31.523 17.071 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 153182  
ATOM 2565d H1 TIP3W 675 -56.160 31.066 17.214 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 153183  
ATOM 2565e H2 TIP3W 675 -55.295 32.179 17.768 0.00 0.00 WT8  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 25660  
Duplicate atom serial number found: 25661  
Duplicate atom serial number found: 25662  
Duplicate atom serial number found: 25663  
Duplicate atom serial number found: 25664  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 153195  
ATOM 2566a H2 TIP3W 680 -39.843 -11.481 51.825 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 153196  
ATOM 2566b OH2 TIP3W 682 -2.603 -33.071 -44.185 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 153197  
ATOM 2566c H1 TIP3W 682 -2.584 -32.121 -44.302 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 153198  
ATOM 2566d H2 TIP3W 682 -1.771 -33.375 -44.548 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 153199  
ATOM 2566e OH2 TIP3W 684 -45.262 -54.704 -9.414 0.00 0.00 WT8  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 25670  
Duplicate atom serial number found: 25671  
Duplicate atom serial number found: 25672  
Duplicate atom serial number found: 25673  
Duplicate atom serial number found: 25674  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 153211  
ATOM 2567a OH2 TIP3W 691 39.054 -12.478 15.689 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 153212  
ATOM 2567b H1 TIP3W 691 38.318 -13.085 15.751 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 153213  
ATOM 2567c H2 TIP3W 691 39.408 -12.437 16.578 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 153214  
ATOM 2567d OH2 TIP3W 699 -49.058 -40.584 -40.149 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 153215  
ATOM 2567e H1 TIP3W 699 -49.527 -41.364 -39.852 0.00 0.00 WT8  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 25680  
Duplicate atom serial number found: 25681  
Duplicate atom serial number found: 25682  
Duplicate atom serial number found: 25683  
Duplicate atom serial number found: 25684  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 153227  
ATOM 2568a H1 TIP3W 704 -1.953 -41.938 52.349 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 153228  
ATOM 2568b H2 TIP3W 704 -2.178 -43.159 53.216 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 153229  
ATOM 2568c OH2 TIP3W 705 6.195 21.632 -25.176 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 153230  
ATOM 2568d H1 TIP3W 705 6.831 22.325 -24.997 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 153231  
ATOM 2568e H2 TIP3W 705 5.706 21.946 -25.937 0.00 0.00 WT8  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 25690  
Duplicate atom serial number found: 25691  
Duplicate atom serial number found: 25692  
Duplicate atom serial number found: 25693  
Duplicate atom serial number found: 25694  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 153243  
ATOM 2569a H2 TIP3W 711 -35.842 46.439 56.964 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 153244  
ATOM 2569b OH2 TIP3W 712 28.291 25.023 -57.575 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 153245  
ATOM 2569c H1 TIP3W 712 28.993 25.217 -56.955 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 153246  
ATOM 2569d H2 TIP3W 712 27.574 24.697 -57.031 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 153247  
ATOM 2569e OH2 TIP3W 713 30.474 18.713 -37.117 0.00 0.00 WT8  
  
97 messages similar to the above omitted  
Duplicate atom serial number found: 25700  
Duplicate atom serial number found: 25701  
Duplicate atom serial number found: 25702  
Duplicate atom serial number found: 25703  
Duplicate atom serial number found: 25704  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 153355  
ATOM 2570a OH2 TIP3W 779 -35.133 13.388 13.385 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 153356  
ATOM 2570b H1 TIP3W 779 -34.191 13.562 13.395 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 153357  
ATOM 2570c H2 TIP3W 779 -35.324 13.156 12.476 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 153358  
ATOM 2570d OH2 TIP3W 783 46.993 -44.680 17.519 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 153359  
ATOM 2570e H1 TIP3W 783 47.723 -44.113 17.769 0.00 0.00 WT8  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 25710  
Duplicate atom serial number found: 25711  
Duplicate atom serial number found: 25712  
Duplicate atom serial number found: 25713  
Duplicate atom serial number found: 25714  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 153371  
ATOM 2571a H1 TIP3W 791 9.278 -35.623 -0.629 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 153372  
ATOM 2571b H2 TIP3W 791 8.939 -37.034 -0.197 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 153373  
ATOM 2571c OH2 TIP3W 792 6.199 15.969 59.640 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 153374  
ATOM 2571d H1 TIP3W 792 6.823 16.479 59.123 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 153375  
ATOM 2571e H2 TIP3W 792 6.499 16.069 60.543 0.00 0.00 WT8  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 25720  
Duplicate atom serial number found: 25721  
Duplicate atom serial number found: 25722  
Duplicate atom serial number found: 25723  
Duplicate atom serial number found: 25724  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 153387  
ATOM 2572a H2 TIP3W 796 -9.164 -47.126 43.664 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 153388  
ATOM 2572b OH2 TIP3W 797 -40.241 31.298 -43.627 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 153389  
ATOM 2572c H1 TIP3W 797 -40.286 31.489 -42.690 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 153390  
ATOM 2572d H2 TIP3W 797 -40.184 30.344 -43.675 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 153391  
ATOM 2572e OH2 TIP3W 803 -18.774 -0.549 55.461 0.00 0.00 WT8  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 25730  
Duplicate atom serial number found: 25731  
Duplicate atom serial number found: 25732  
Duplicate atom serial number found: 25733  
Duplicate atom serial number found: 25734  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 153403  
ATOM 2573a OH2 TIP3W 813 -4.670 -42.329 45.920 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 153404  
ATOM 2573b H1 TIP3W 813 -3.878 -42.866 45.929 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 153405  
ATOM 2573c H2 TIP3W 813 -4.979 -42.371 45.015 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 153406  
ATOM 2573d OH2 TIP3W 817 -10.635 -40.086 -21.923 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 153407  
ATOM 2573e H1 TIP3W 817 -10.999 -40.086 -22.808 0.00 0.00 WT8  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 25740  
Duplicate atom serial number found: 25741  
Duplicate atom serial number found: 25742  
Duplicate atom serial number found: 25743  
Duplicate atom serial number found: 25744  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 153419  
ATOM 2574a H1 TIP3W 835 -5.938 13.717 48.908 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 153420  
ATOM 2574b H2 TIP3W 835 -6.771 14.050 47.689 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 153421  
ATOM 2574c OH2 TIP3W 840 9.386 26.508 18.183 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 153422  
ATOM 2574d H1 TIP3W 840 10.283 26.769 17.972 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 153423  
ATOM 2574e H2 TIP3W 840 9.043 27.231 18.708 0.00 0.00 WT8  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 25750  
Duplicate atom serial number found: 25751  
Duplicate atom serial number found: 25752  
Duplicate atom serial number found: 25753  
Duplicate atom serial number found: 25754  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 153435  
ATOM 2575a H2 TIP3W 859 48.146 -51.815 -0.007 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 153436  
ATOM 2575b OH2 TIP3W 861 49.128 -49.086 7.434 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 153437  
ATOM 2575c H1 TIP3W 861 48.501 -48.386 7.250 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 153438  
ATOM 2575d H2 TIP3W 861 48.991 -49.722 6.731 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 153439  
ATOM 2575e OH2 TIP3W 865 -26.006 1.527 -35.272 0.00 0.00 WT8  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 25760  
Duplicate atom serial number found: 25761  
Duplicate atom serial number found: 25762  
Duplicate atom serial number found: 25763  
Duplicate atom serial number found: 25764  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 153451  
ATOM 2576a OH2 TIP3W 880 35.930 -35.480 45.813 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 153452  
ATOM 2576b H1 TIP3W 880 36.691 -35.697 46.350 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 153453  
ATOM 2576c H2 TIP3W 880 35.820 -36.236 45.236 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 153454  
ATOM 2576d OH2 TIP3W 883 -2.717 50.760 39.579 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 153455  
ATOM 2576e H1 TIP3W 883 -2.354 51.615 39.810 0.00 0.00 WT8  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 25770  
Duplicate atom serial number found: 25771  
Duplicate atom serial number found: 25772  
Duplicate atom serial number found: 25773  
Duplicate atom serial number found: 25774  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 153467  
ATOM 2577a H1 TIP3W 890 54.394 16.074 25.859 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 153468  
ATOM 2577b H2 TIP3W 890 55.542 15.186 26.291 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 153469  
ATOM 2577c OH2 TIP3W 891 16.758 48.777 33.687 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 153470  
ATOM 2577d H1 TIP3W 891 16.304 49.483 33.226 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 153471  
ATOM 2577e H2 TIP3W 891 16.150 48.511 34.377 0.00 0.00 WT8  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 25780  
Duplicate atom serial number found: 25781  
Duplicate atom serial number found: 25782  
Duplicate atom serial number found: 25783  
Duplicate atom serial number found: 25784  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 153483  
ATOM 2578a H2 TIP3W 896 -10.909 -53.894 29.679 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 153484  
ATOM 2578b OH2 TIP3W 897 55.668 -57.085 -10.938 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 153485  
ATOM 2578c H1 TIP3W 897 56.037 -57.848 -11.383 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 153486  
ATOM 2578d H2 TIP3W 897 56.408 -56.701 -10.467 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 153487  
ATOM 2578e OH2 TIP3W 899 -12.221 21.662 -38.814 0.00 0.00 WT8  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 25790  
Duplicate atom serial number found: 25791  
Duplicate atom serial number found: 25792  
Duplicate atom serial number found: 25793  
Duplicate atom serial number found: 25794  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 153499  
ATOM 2579a OH2 TIP3W 915 -30.609 -48.082 38.625 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 153500  
ATOM 2579b H1 TIP3W 915 -30.657 -48.733 37.926 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 153501  
ATOM 2579c H2 TIP3W 915 -29.772 -48.253 39.056 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 153502  
ATOM 2579d OH2 TIP3W 916 -40.613 5.129 -7.171 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 153503  
ATOM 2579e H1 TIP3W 916 -40.078 4.684 -7.829 0.00 0.00 WT8  
  
97 messages similar to the above omitted  
Duplicate atom serial number found: 25800  
Duplicate atom serial number found: 25801  
Duplicate atom serial number found: 25802  
Duplicate atom serial number found: 25803  
Duplicate atom serial number found: 25804  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 153611  
ATOM 2580a H1 TIP3W 983 19.430 -7.373 6.711 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 153612  
ATOM 2580b H2 TIP3W 983 18.910 -6.177 5.941 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 153613  
ATOM 2580c OH2 TIP3W 985 -32.313 19.854 -47.255 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 153614  
ATOM 2580d H1 TIP3W 985 -31.587 19.372 -46.858 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 153615  
ATOM 2580e H2 TIP3W 985 -32.719 20.320 -46.524 0.00 0.00 WT8  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 25810  
Duplicate atom serial number found: 25811  
Duplicate atom serial number found: 25812  
Duplicate atom serial number found: 25813  
Duplicate atom serial number found: 25814  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 153627  
ATOM 2581a H2 TIP3W 990 20.854 -30.903 2.246 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 153628  
ATOM 2581b OH2 TIP3W 991 -36.396 28.870 -43.564 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 153629  
ATOM 2581c H1 TIP3W 991 -36.785 28.268 -44.199 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 153630  
ATOM 2581d H2 TIP3W 991 -36.950 29.650 -43.603 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 153631  
ATOM 2581e OH2 TIP3W 992 -46.216 -50.972 -57.998 0.00 0.00 WT8  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 25820  
Duplicate atom serial number found: 25821  
Duplicate atom serial number found: 25822  
Duplicate atom serial number found: 25823  
Duplicate atom serial number found: 25824  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 153643  
ATOM 2582a OH2 TIP3W 998 -3.519 -46.317 42.667 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 153644  
ATOM 2582b H1 TIP3W 998 -3.057 -47.104 42.956 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 153645  
ATOM 2582c H2 TIP3W 998 -4.446 -46.549 42.723 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 153646  
ATOM 2582d OH2 TIP3W 999 -25.230 -58.123 -0.320 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 153647  
ATOM 2582e H1 TIP3W 999 -24.497 -57.573 -0.597 0.00 0.00 WT8  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 25830  
Duplicate atom serial number found: 25831  
Duplicate atom serial number found: 25832  
Duplicate atom serial number found: 25833  
Duplicate atom serial number found: 25834  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 153659  
ATOM 2583a H1 TIP3W1011 49.651 15.015 -15.968 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 153660  
ATOM 2583b H2 TIP3W1011 48.940 14.624 -17.246 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 153661  
ATOM 2583c OH2 TIP3W1012 -27.556 -26.653 38.510 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 153662  
ATOM 2583d H1 TIP3W1012 -26.640 -26.467 38.306 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 153663  
ATOM 2583e H2 TIP3W1012 -28.053 -26.133 37.878 0.00 0.00 WT8  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 25840  
Duplicate atom serial number found: 25841  
Duplicate atom serial number found: 25842  
Duplicate atom serial number found: 25843  
Duplicate atom serial number found: 25844  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 153675  
ATOM 2584a H2 TIP3W1017 -6.373 33.285 28.180 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 153676  
ATOM 2584b OH2 TIP3W1018 -15.049 -19.125 -29.426 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 153677  
ATOM 2584c H1 TIP3W1018 -14.591 -18.346 -29.110 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 153678  
ATOM 2584d H2 TIP3W1018 -15.787 -18.782 -29.931 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 153679  
ATOM 2584e OH2 TIP3W1019 -30.573 -4.021 -1.486 0.00 0.00 WT8  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 25850  
Duplicate atom serial number found: 25851  
Duplicate atom serial number found: 25852  
Duplicate atom serial number found: 25853  
Duplicate atom serial number found: 25854  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 153691  
ATOM 2585a OH2 TIP3W1024 25.806 42.446 -57.629 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 153692  
ATOM 2585b H1 TIP3W1024 26.115 42.574 -56.732 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 153693  
ATOM 2585c H2 TIP3W1024 26.439 42.919 -58.170 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 153694  
ATOM 2585d OH2 TIP3W1027 -55.738 -2.136 -15.200 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 153695  
ATOM 2585e H1 TIP3W1027 -56.095 -2.805 -15.785 0.00 0.00 WT8  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 25860  
Duplicate atom serial number found: 25861  
Duplicate atom serial number found: 25862  
Duplicate atom serial number found: 25863  
Duplicate atom serial number found: 25864  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 153707  
ATOM 2586a H1 TIP3W1038 -49.247 -8.014 -2.608 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 153708  
ATOM 2586b H2 TIP3W1038 -50.118 -8.972 -1.823 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 153709  
ATOM 2586c OH2 TIP3W1039 -6.039 -31.528 -7.131 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 153710  
ATOM 2586d H1 TIP3W1039 -5.194 -31.246 -6.781 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 153711  
ATOM 2586e H2 TIP3W1039 -6.350 -32.184 -6.507 0.00 0.00 WT8  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 25870  
Duplicate atom serial number found: 25871  
Duplicate atom serial number found: 25872  
Duplicate atom serial number found: 25873  
Duplicate atom serial number found: 25874  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 153723  
ATOM 2587a H2 TIP3W1045 -39.871 -30.430 13.231 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 153724  
ATOM 2587b OH2 TIP3W1046 48.372 -54.334 4.012 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 153725  
ATOM 2587c H1 TIP3W1046 49.072 -54.905 4.330 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 153726  
ATOM 2587d H2 TIP3W1046 48.785 -53.806 3.329 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 153727  
ATOM 2587e OH2 TIP3W1053 40.538 -0.099 -50.193 0.00 0.00 WT8  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 25880  
Duplicate atom serial number found: 25881  
Duplicate atom serial number found: 25882  
Duplicate atom serial number found: 25883  
Duplicate atom serial number found: 25884  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 153739  
ATOM 2588a OH2 TIP3W1057 33.644 -54.997 9.478 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 153740  
ATOM 2588b H1 TIP3W1057 34.209 -55.747 9.662 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 153741  
ATOM 2588c H2 TIP3W1057 33.569 -54.542 10.317 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 153742  
ATOM 2588d OH2 TIP3W1058 -34.688 -10.912 48.197 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 153743  
ATOM 2588e H1 TIP3W1058 -33.844 -10.466 48.269 0.00 0.00 WT8  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 25890  
Duplicate atom serial number found: 25891  
Duplicate atom serial number found: 25892  
Duplicate atom serial number found: 25893  
Duplicate atom serial number found: 25894  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 153755  
ATOM 2589a H1 TIP3W1062 49.665 54.475 -20.636 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 153756  
ATOM 2589b H2 TIP3W1062 48.201 54.537 -20.258 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 153757  
ATOM 2589c OH2 TIP3W1063 -56.982 -0.212 15.117 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 153758  
ATOM 2589d H1 TIP3W1063 -56.149 0.123 15.447 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 153759  
ATOM 2589e H2 TIP3W1063 -57.114 0.246 14.287 0.00 0.00 WT8  
  
97 messages similar to the above omitted  
Duplicate atom serial number found: 25900  
Duplicate atom serial number found: 25901  
Duplicate atom serial number found: 25902  
Duplicate atom serial number found: 25903  
Duplicate atom serial number found: 25904  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 153867  
ATOM 2590a H2 TIP3W1118 -28.571 -56.845 -7.953 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 153868  
ATOM 2590b OH2 TIP3W1120 -42.594 -41.600 -33.484 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 153869  
ATOM 2590c H1 TIP3W1120 -43.283 -42.264 -33.520 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 153870  
ATOM 2590d H2 TIP3W1120 -42.935 -40.930 -32.892 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 153871  
ATOM 2590e OH2 TIP3W1121 3.469 8.508 -48.885 0.00 0.00 WT8  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 25910  
Duplicate atom serial number found: 25911  
Duplicate atom serial number found: 25912  
Duplicate atom serial number found: 25913  
Duplicate atom serial number found: 25914  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 153883  
ATOM 2591a OH2 TIP3W1126 -52.356 -18.380 42.810 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 153884  
ATOM 2591b H1 TIP3W1126 -52.125 -18.936 43.555 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 153885  
ATOM 2591c H2 TIP3W1126 -51.586 -18.407 42.242 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 153886  
ATOM 2591d OH2 TIP3W1127 16.003 -20.418 28.779 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 153887  
ATOM 2591e H1 TIP3W1127 16.752 -20.277 28.200 0.00 0.00 WT8  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 25920  
Duplicate atom serial number found: 25921  
Duplicate atom serial number found: 25922  
Duplicate atom serial number found: 25923  
Duplicate atom serial number found: 25924  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 153899  
ATOM 2592a H1 TIP3W1131 28.836 39.219 -54.002 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 153900  
ATOM 2592b H2 TIP3W1131 28.969 37.877 -54.691 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 153901  
ATOM 2592c OH2 TIP3W1133 -39.940 0.334 7.319 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 153902  
ATOM 2592d H1 TIP3W1133 -40.833 0.590 7.552 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 153903  
ATOM 2592e H2 TIP3W1133 -39.742 -0.401 7.899 0.00 0.00 WT8  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 25930  
Duplicate atom serial number found: 25931  
Duplicate atom serial number found: 25932  
Duplicate atom serial number found: 25933  
Duplicate atom serial number found: 25934  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 153915  
ATOM 2593a H2 TIP3W1138 -24.247 -30.636 26.735 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 153916  
ATOM 2593b OH2 TIP3W1139 5.372 -36.324 -0.686 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 153917  
ATOM 2593c H1 TIP3W1139 4.702 -35.769 -0.286 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 153918  
ATOM 2593d H2 TIP3W1139 5.917 -36.608 0.048 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 153919  
ATOM 2593e OH2 TIP3W1140 38.822 22.693 18.778 0.00 0.00 WT8  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 25940  
Duplicate atom serial number found: 25941  
Duplicate atom serial number found: 25942  
Duplicate atom serial number found: 25943  
Duplicate atom serial number found: 25944  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 153931  
ATOM 2594a OH2 TIP3W1145 -53.860 49.628 -55.973 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 153932  
ATOM 2594b H1 TIP3W1145 -53.514 50.078 -55.202 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 153933  
ATOM 2594c H2 TIP3W1145 -53.101 49.185 -56.353 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 153934  
ATOM 2594d OH2 TIP3W1147 -2.032 15.400 -29.157 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 153935  
ATOM 2594e H1 TIP3W1147 -1.105 15.599 -29.291 0.00 0.00 WT8  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 25950  
Duplicate atom serial number found: 25951  
Duplicate atom serial number found: 25952  
Duplicate atom serial number found: 25953  
Duplicate atom serial number found: 25954  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 153947  
ATOM 2595a H1 TIP3W1151 33.091 41.525 16.101 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 153948  
ATOM 2595b H2 TIP3W1151 34.091 40.705 16.887 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 153949  
ATOM 2595c OH2 TIP3W1153 28.466 13.712 -18.365 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 153950  
ATOM 2595d H1 TIP3W1153 28.105 12.835 -18.230 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 153951  
ATOM 2595e H2 TIP3W1153 27.810 14.161 -18.899 0.00 0.00 WT8  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 25960  
Duplicate atom serial number found: 25961  
Duplicate atom serial number found: 25962  
Duplicate atom serial number found: 25963  
Duplicate atom serial number found: 25964  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 153963  
ATOM 2596a H2 TIP3W1158 -48.290 1.713 30.915 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 153964  
ATOM 2596b OH2 TIP3W1160 -25.036 50.490 39.138 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 153965  
ATOM 2596c H1 TIP3W1160 -25.870 50.951 39.232 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 153966  
ATOM 2596d H2 TIP3W1160 -24.375 51.143 39.368 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 153967  
ATOM 2596e OH2 TIP3W1162 44.150 -43.512 -46.006 0.00 0.00 WT8  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 25970  
Duplicate atom serial number found: 25971  
Duplicate atom serial number found: 25972  
Duplicate atom serial number found: 25973  
Duplicate atom serial number found: 25974  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 153979  
ATOM 2597a OH2 TIP3W1167 -14.422 55.970 53.923 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 153980  
ATOM 2597b H1 TIP3W1167 -14.677 55.422 53.180 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 153981  
ATOM 2597c H2 TIP3W1167 -14.453 55.381 54.677 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 153982  
ATOM 2597d OH2 TIP3W1168 -31.337 19.177 -18.541 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 153983  
ATOM 2597e H1 TIP3W1168 -32.063 19.132 -19.163 0.00 0.00 WT8  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 25980  
Duplicate atom serial number found: 25981  
Duplicate atom serial number found: 25982  
Duplicate atom serial number found: 25983  
Duplicate atom serial number found: 25984  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 153995  
ATOM 2598a H1 TIP3W1177 28.256 -23.209 52.989 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 153996  
ATOM 2598b H2 TIP3W1177 27.684 -24.559 52.613 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 153997  
ATOM 2598c OH2 TIP3W1178 30.652 -32.165 36.183 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 153998  
ATOM 2598d H1 TIP3W1178 30.591 -32.590 37.039 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 153999  
ATOM 2598e H2 TIP3W1178 29.969 -32.583 35.659 0.00 0.00 WT8  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 25990  
Duplicate atom serial number found: 25991  
Duplicate atom serial number found: 25992  
Duplicate atom serial number found: 25993  
Duplicate atom serial number found: 25994  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 154011  
ATOM 2599a H2 TIP3W1182 16.079 34.078 -38.780 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 154012  
ATOM 2599b OH2 TIP3W1183 -22.702 -46.871 -8.640 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 154013  
ATOM 2599c H1 TIP3W1183 -22.547 -46.495 -9.506 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 154014  
ATOM 2599d H2 TIP3W1183 -23.648 -47.015 -8.606 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 154015  
ATOM 2599e OH2 TIP3W1184 -14.489 60.424 -57.030 0.00 0.00 WT8  
  
1633 messages similar to the above omitted  
Duplicate atom serial number found: 26000  
Duplicate atom serial number found: 26001  
Duplicate atom serial number found: 26002  
Duplicate atom serial number found: 26003  
Duplicate atom serial number found: 26004  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 155659  
ATOM 2600a OH2 TIP3W2065 24.812 -20.502 2.854 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 155660  
ATOM 2600b H1 TIP3W2065 24.804 -19.549 2.758 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 155661  
ATOM 2600c H2 TIP3W2065 24.236 -20.673 3.599 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 155662  
ATOM 2600d OH2 TIP3W2066 36.651 5.925 35.625 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 155663  
ATOM 2600e H1 TIP3W2066 36.545 6.586 34.941 0.00 0.00 WT8  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 26010  
Duplicate atom serial number found: 26011  
Duplicate atom serial number found: 26012  
Duplicate atom serial number found: 26013  
Duplicate atom serial number found: 26014  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 155675  
ATOM 2601a H1 TIP3W2070 -9.540 54.837 -39.570 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 155676  
ATOM 2601b H2 TIP3W2070 -11.022 55.088 -39.388 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 155677  
ATOM 2601c OH2 TIP3W2071 39.168 8.330 -3.380 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 155678  
ATOM 2601d H1 TIP3W2071 39.906 8.009 -3.898 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 155679  
ATOM 2601e H2 TIP3W2071 39.350 8.029 -2.490 0.00 0.00 WT8  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 26020  
Duplicate atom serial number found: 26021  
Duplicate atom serial number found: 26022  
Duplicate atom serial number found: 26023  
Duplicate atom serial number found: 26024  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 155691  
ATOM 2602a H2 TIP3W2075 40.832 -4.125 30.133 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 155692  
ATOM 2602b OH2 TIP3W2078 -10.949 -11.139 23.446 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 155693  
ATOM 2602c H1 TIP3W2078 -11.893 -11.300 23.432 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 155694  
ATOM 2602d H2 TIP3W2078 -10.856 -10.228 23.168 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 155695  
ATOM 2602e OH2 TIP3W2079 34.902 -16.371 -54.677 0.00 0.00 WT8  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 26030  
Duplicate atom serial number found: 26031  
Duplicate atom serial number found: 26032  
Duplicate atom serial number found: 26033  
Duplicate atom serial number found: 26034  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 155707  
ATOM 2603a OH2 TIP3W2084 28.028 -57.589 -17.475 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 155708  
ATOM 2603b H1 TIP3W2084 27.337 -56.962 -17.262 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 155709  
ATOM 2603c H2 TIP3W2084 27.979 -57.687 -18.426 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 155710  
ATOM 2603d OH2 TIP3W2085 -1.410 22.519 17.585 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 155711  
ATOM 2603e H1 TIP3W2085 -0.840 22.300 16.847 0.00 0.00 WT8  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 26040  
Duplicate atom serial number found: 26041  
Duplicate atom serial number found: 26042  
Duplicate atom serial number found: 26043  
Duplicate atom serial number found: 26044  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 155723  
ATOM 2604a H1 TIP3W2090 12.926 33.820 10.100 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 155724  
ATOM 2604b H2 TIP3W2090 11.757 34.577 9.509 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 155725  
ATOM 2604c OH2 TIP3W2091 -35.553 38.228 -59.429 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 155726  
ATOM 2604d H1 TIP3W2091 -35.822 37.459 -58.926 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 155727  
ATOM 2604e H2 TIP3W2091 -34.638 38.368 -59.183 0.00 0.00 WT8  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 26050  
Duplicate atom serial number found: 26051  
Duplicate atom serial number found: 26052  
Duplicate atom serial number found: 26053  
Duplicate atom serial number found: 26054  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 155739  
ATOM 2605a H2 TIP3W2095 56.307 -41.097 -50.088 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 155740  
ATOM 2605b OH2 TIP3W2098 29.061 -44.284 -10.304 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 155741  
ATOM 2605c H1 TIP3W2098 29.491 -43.929 -11.082 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 155742  
ATOM 2605d H2 TIP3W2098 28.275 -43.747 -10.199 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 155743  
ATOM 2605e OH2 TIP3W2099 -33.340 -21.101 29.949 0.00 0.00 WT8  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 26060  
Duplicate atom serial number found: 26061  
Duplicate atom serial number found: 26062  
Duplicate atom serial number found: 26063  
Duplicate atom serial number found: 26064  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 155755  
ATOM 2606a OH2 TIP3W2104 -2.641 26.064 31.501 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 155756  
ATOM 2606b H1 TIP3W2104 -2.469 25.250 31.974 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 155757  
ATOM 2606c H2 TIP3W2104 -2.715 25.797 30.585 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 155758  
ATOM 2606d OH2 TIP3W2105 -51.724 -0.963 -42.030 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 155759  
ATOM 2606e H1 TIP3W2105 -51.549 -0.306 -41.357 0.00 0.00 WT8  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 26070  
Duplicate atom serial number found: 26071  
Duplicate atom serial number found: 26072  
Duplicate atom serial number found: 26073  
Duplicate atom serial number found: 26074  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 155771  
ATOM 2607a H1 TIP3W2110 -1.850 -36.196 33.184 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 155772  
ATOM 2607b H2 TIP3W2110 -0.761 -36.857 34.003 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 155773  
ATOM 2607c OH2 TIP3W2113 59.396 42.679 -21.459 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 155774  
ATOM 2607d H1 TIP3W2113 59.788 42.150 -22.155 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 155775  
ATOM 2607e H2 TIP3W2113 59.708 42.278 -20.648 0.00 0.00 WT8  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 26080  
Duplicate atom serial number found: 26081  
Duplicate atom serial number found: 26082  
Duplicate atom serial number found: 26083  
Duplicate atom serial number found: 26084  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 155787  
ATOM 2608a H2 TIP3W2117 -12.036 48.092 21.356 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 155788  
ATOM 2608b OH2 TIP3W2118 -11.601 44.404 22.104 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 155789  
ATOM 2608c H1 TIP3W2118 -11.586 45.134 21.485 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 155790  
ATOM 2608d H2 TIP3W2118 -11.609 44.821 22.966 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 155791  
ATOM 2608e OH2 TIP3W2119 59.768 13.993 -37.508 0.00 0.00 WT8  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 26090  
Duplicate atom serial number found: 26091  
Duplicate atom serial number found: 26092  
Duplicate atom serial number found: 26093  
Duplicate atom serial number found: 26094  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 155803  
ATOM 2609a OH2 TIP3W2128 55.975 -15.871 -35.832 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 155804  
ATOM 2609b H1 TIP3W2128 56.011 -15.975 -34.881 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 155805  
ATOM 2609c H2 TIP3W2128 55.042 -15.790 -36.030 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 155806  
ATOM 2609d OH2 TIP3W2129 3.313 -48.166 18.883 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 155807  
ATOM 2609e H1 TIP3W2129 2.670 -47.519 19.173 0.00 0.00 WT8  
  
97 messages similar to the above omitted  
Duplicate atom serial number found: 26100  
Duplicate atom serial number found: 26101  
Duplicate atom serial number found: 26102  
Duplicate atom serial number found: 26103  
Duplicate atom serial number found: 26104  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 155915  
ATOM 2610a H1 TIP3W2204 38.922 -41.075 16.490 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 155916  
ATOM 2610b H2 TIP3W2204 38.554 -42.255 15.616 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 155917  
ATOM 2610c OH2 TIP3W2208 -6.306 51.613 8.177 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 155918  
ATOM 2610d H1 TIP3W2208 -7.219 51.809 8.388 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 155919  
ATOM 2610e H2 TIP3W2208 -5.850 52.447 8.287 0.00 0.00 WT8  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 26110  
Duplicate atom serial number found: 26111  
Duplicate atom serial number found: 26112  
Duplicate atom serial number found: 26113  
Duplicate atom serial number found: 26114  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 155931  
ATOM 2611a H2 TIP3W2217 13.470 51.621 15.039 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 155932  
ATOM 2611b OH2 TIP3W2218 45.075 -33.354 1.874 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 155933  
ATOM 2611c H1 TIP3W2218 45.018 -33.416 2.827 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 155934  
ATOM 2611d H2 TIP3W2218 44.360 -32.766 1.629 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 155935  
ATOM 2611e OH2 TIP3W2219 8.000 -24.364 5.163 0.00 0.00 WT8  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 26120  
Duplicate atom serial number found: 26121  
Duplicate atom serial number found: 26122  
Duplicate atom serial number found: 26123  
Duplicate atom serial number found: 26124  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 155947  
ATOM 2612a OH2 TIP3W2231 11.203 -6.715 46.210 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 155948  
ATOM 2612b H1 TIP3W2231 11.554 -5.844 46.026 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 155949  
ATOM 2612c H2 TIP3W2231 11.591 -6.958 47.050 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 155950  
ATOM 2612d OH2 TIP3W2232 47.577 31.833 18.790 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 155951  
ATOM 2612e H1 TIP3W2232 48.500 31.740 18.554 0.00 0.00 WT8  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 26130  
Duplicate atom serial number found: 26131  
Duplicate atom serial number found: 26132  
Duplicate atom serial number found: 26133  
Duplicate atom serial number found: 26134  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 155963  
ATOM 2613a H1 TIP3W2236 -6.063 -26.537 0.059 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 155964  
ATOM 2613b H2 TIP3W2236 -5.290 -25.301 0.465 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 155965  
ATOM 2613c OH2 TIP3W2237 23.976 -31.538 59.644 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 155966  
ATOM 2613d H1 TIP3W2237 23.688 -32.339 59.206 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 155967  
ATOM 2613e H2 TIP3W2237 24.762 -31.273 59.167 0.00 0.00 WT8  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 26140  
Duplicate atom serial number found: 26141  
Duplicate atom serial number found: 26142  
Duplicate atom serial number found: 26143  
Duplicate atom serial number found: 26144  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 155979  
ATOM 2614a H2 TIP3W2241 -21.077 59.141 34.697 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 155980  
ATOM 2614b OH2 TIP3W2242 16.443 42.072 -52.982 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 155981  
ATOM 2614c H1 TIP3W2242 16.165 41.428 -53.633 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 155982  
ATOM 2614d H2 TIP3W2242 17.399 42.070 -53.035 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 155983  
ATOM 2614e OH2 TIP3W2243 28.609 13.069 46.285 0.00 0.00 WT8  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 26150  
Duplicate atom serial number found: 26151  
Duplicate atom serial number found: 26152  
Duplicate atom serial number found: 26153  
Duplicate atom serial number found: 26154  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 155995  
ATOM 2615a OH2 TIP3W2251 -53.309 19.282 -31.825 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 155996  
ATOM 2615b H1 TIP3W2251 -53.936 19.436 -31.118 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 155997  
ATOM 2615c H2 TIP3W2251 -52.455 19.457 -31.431 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 155998  
ATOM 2615d OH2 TIP3W2253 37.739 20.055 -48.120 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 155999  
ATOM 2615e H1 TIP3W2253 37.820 19.732 -49.017 0.00 0.00 WT8  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 26160  
Duplicate atom serial number found: 26161  
Duplicate atom serial number found: 26162  
Duplicate atom serial number found: 26163  
Duplicate atom serial number found: 26164  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 156011  
ATOM 2616a H1 TIP3W2259 57.559 25.384 -17.236 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 156012  
ATOM 2616b H2 TIP3W2259 56.869 25.813 -15.959 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 156013  
ATOM 2616c OH2 TIP3W2260 -56.631 0.254 27.753 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 156014  
ATOM 2616d H1 TIP3W2260 -56.438 -0.411 27.092 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 156015  
ATOM 2616e H2 TIP3W2260 -57.289 0.816 27.343 0.00 0.00 WT8  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 26170  
Duplicate atom serial number found: 26171  
Duplicate atom serial number found: 26172  
Duplicate atom serial number found: 26173  
Duplicate atom serial number found: 26174  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 156027  
ATOM 2617a H2 TIP3W2269 37.827 -8.856 -57.641 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 156028  
ATOM 2617b OH2 TIP3W2270 -39.031 22.952 -17.712 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 156029  
ATOM 2617c H1 TIP3W2270 -39.177 23.871 -17.488 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 156030  
ATOM 2617d H2 TIP3W2270 -39.858 22.665 -18.099 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 156031  
ATOM 2617e OH2 TIP3W2271 -6.627 -25.758 -46.854 0.00 0.00 WT8  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 26180  
Duplicate atom serial number found: 26181  
Duplicate atom serial number found: 26182  
Duplicate atom serial number found: 26183  
Duplicate atom serial number found: 26184  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 156043  
ATOM 2618a OH2 TIP3W2275 -47.700 -14.001 -2.628 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 156044  
ATOM 2618b H1 TIP3W2275 -47.290 -13.214 -2.986 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 156045  
ATOM 2618c H2 TIP3W2275 -46.980 -14.625 -2.533 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 156046  
ATOM 2618d OH2 TIP3W2276 20.230 39.880 33.363 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 156047  
ATOM 2618e H1 TIP3W2276 21.109 39.891 32.983 0.00 0.00 WT8  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 26190  
Duplicate atom serial number found: 26191  
Duplicate atom serial number found: 26192  
Duplicate atom serial number found: 26193  
Duplicate atom serial number found: 26194  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 156059  
ATOM 2619a H1 TIP3W2281 -45.215 -0.899 -26.754 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 156060  
ATOM 2619b H2 TIP3W2281 -44.104 -0.068 -26.148 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 156061  
ATOM 2619c OH2 TIP3W2282 13.174 -57.144 -58.789 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 156062  
ATOM 2619d H1 TIP3W2282 13.335 -58.081 -58.675 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 156063  
ATOM 2619e H2 TIP3W2282 13.759 -56.722 -58.160 0.00 0.00 WT8  
  
97 messages similar to the above omitted  
Duplicate atom serial number found: 26200  
Duplicate atom serial number found: 26201  
Duplicate atom serial number found: 26202  
Duplicate atom serial number found: 26203  
Duplicate atom serial number found: 26204  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 156171  
ATOM 2620a H2 TIP3W2323 13.648 38.817 -57.612 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 156172  
ATOM 2620b OH2 TIP3W2324 9.296 -7.054 50.925 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 156173  
ATOM 2620c H1 TIP3W2324 8.706 -7.795 51.065 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 156174  
ATOM 2620d H2 TIP3W2324 8.719 -6.290 50.895 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 156175  
ATOM 2620e OH2 TIP3W2325 18.355 -19.318 27.226 0.00 0.00 WT8  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 26210  
Duplicate atom serial number found: 26211  
Duplicate atom serial number found: 26212  
Duplicate atom serial number found: 26213  
Duplicate atom serial number found: 26214  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 156187  
ATOM 2621a OH2 TIP3W2329 -7.723 31.642 24.848 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 156188  
ATOM 2621b H1 TIP3W2329 -6.878 31.844 24.446 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 156189  
ATOM 2621c H2 TIP3W2329 -8.347 31.676 24.124 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 156190  
ATOM 2621d OH2 TIP3W2330 35.794 -46.266 18.685 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 156191  
ATOM 2621e H1 TIP3W2330 35.268 -45.594 19.119 0.00 0.00 WT8  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 26220  
Duplicate atom serial number found: 26221  
Duplicate atom serial number found: 26222  
Duplicate atom serial number found: 26223  
Duplicate atom serial number found: 26224  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 156203  
ATOM 2622a H1 TIP3W2336 -57.987 -36.220 5.243 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 156204  
ATOM 2622b H2 TIP3W2336 -58.500 -36.633 6.606 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 156205  
ATOM 2622c OH2 TIP3W2337 18.653 49.606 -16.052 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 156206  
ATOM 2622d H1 TIP3W2337 18.164 50.273 -16.533 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 156207  
ATOM 2622e H2 TIP3W2337 18.922 48.976 -16.722 0.00 0.00 WT8  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 26230  
Duplicate atom serial number found: 26231  
Duplicate atom serial number found: 26232  
Duplicate atom serial number found: 26233  
Duplicate atom serial number found: 26234  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 156219  
ATOM 2623a H2 TIP3W2341 56.247 19.768 -53.698 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 156220  
ATOM 2623b OH2 TIP3W2342 -20.343 -3.322 21.957 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 156221  
ATOM 2623c H1 TIP3W2342 -20.105 -3.950 21.274 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 156222  
ATOM 2623d H2 TIP3W2342 -19.597 -2.725 22.004 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 156223  
ATOM 2623e OH2 TIP3W2343 33.054 21.618 15.721 0.00 0.00 WT8  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 26240  
Duplicate atom serial number found: 26241  
Duplicate atom serial number found: 26242  
Duplicate atom serial number found: 26243  
Duplicate atom serial number found: 26244  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 156235  
ATOM 2624a OH2 TIP3W2347 54.449 18.020 54.014 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 156236  
ATOM 2624b H1 TIP3W2347 55.326 17.696 54.216 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 156237  
ATOM 2624c H2 TIP3W2347 54.565 18.553 53.227 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 156238  
ATOM 2624d OH2 TIP3W2348 17.093 -31.890 59.470 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 156239  
ATOM 2624e H1 TIP3W2348 16.216 -32.085 59.799 0.00 0.00 WT8  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 26250  
Duplicate atom serial number found: 26251  
Duplicate atom serial number found: 26252  
Duplicate atom serial number found: 26253  
Duplicate atom serial number found: 26254  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 156251  
ATOM 2625a H1 TIP3W2354 26.711 -20.158 3.766 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 156252  
ATOM 2625b H2 TIP3W2354 27.450 -19.713 5.010 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 156253  
ATOM 2625c OH2 TIP3W2355 -0.954 58.670 -27.314 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 156254  
ATOM 2625d H1 TIP3W2355 -0.698 58.759 -28.232 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 156255  
ATOM 2625e H2 TIP3W2355 -1.882 58.905 -27.300 0.00 0.00 WT8  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 26260  
Duplicate atom serial number found: 26261  
Duplicate atom serial number found: 26262  
Duplicate atom serial number found: 26263  
Duplicate atom serial number found: 26264  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 156267  
ATOM 2626a H2 TIP3W2360 -21.807 -10.125 -50.881 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 156268  
ATOM 2626b OH2 TIP3W2361 -41.523 -8.590 30.371 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 156269  
ATOM 2626c H1 TIP3W2361 -41.974 -8.805 31.188 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 156270  
ATOM 2626d H2 TIP3W2361 -41.538 -7.634 30.332 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 156271  
ATOM 2626e OH2 TIP3W2362 41.381 17.380 -28.908 0.00 0.00 WT8  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 26270  
Duplicate atom serial number found: 26271  
Duplicate atom serial number found: 26272  
Duplicate atom serial number found: 26273  
Duplicate atom serial number found: 26274  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 156283  
ATOM 2627a OH2 TIP3W2366 -16.243 -58.265 18.971 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 156284  
ATOM 2627b H1 TIP3W2366 -15.325 -58.312 19.240 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 156285  
ATOM 2627c H2 TIP3W2366 -16.557 -57.438 19.335 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 156286  
ATOM 2627d OH2 TIP3W2367 9.832 34.978 -42.864 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 156287  
ATOM 2627e H1 TIP3W2367 10.677 35.085 -43.301 0.00 0.00 WT8  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 26280  
Duplicate atom serial number found: 26281  
Duplicate atom serial number found: 26282  
Duplicate atom serial number found: 26283  
Duplicate atom serial number found: 26284  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 156299  
ATOM 2628a H1 TIP3W2377 52.192 -5.448 18.052 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 156300  
ATOM 2628b H2 TIP3W2377 53.276 -5.234 19.087 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 156301  
ATOM 2628c OH2 TIP3W2378 23.734 24.977 59.695 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 156302  
ATOM 2628d H1 TIP3W2378 23.376 25.693 59.169 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 156303  
ATOM 2628e H2 TIP3W2378 24.527 25.341 60.088 0.00 0.00 WT8  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 26290  
Duplicate atom serial number found: 26291  
Duplicate atom serial number found: 26292  
Duplicate atom serial number found: 26293  
Duplicate atom serial number found: 26294  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 156315  
ATOM 2629a H2 TIP3W2382 -50.418 13.392 12.734 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 156316  
ATOM 2629b OH2 TIP3W2383 28.462 18.562 -44.327 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 156317  
ATOM 2629c H1 TIP3W2383 28.339 19.476 -44.072 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 156318  
ATOM 2629d H2 TIP3W2383 29.204 18.579 -44.932 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 156319  
ATOM 2629e OH2 TIP3W2384 -1.980 20.711 -57.128 0.00 0.00 WT8  
  
97 messages similar to the above omitted  
Duplicate atom serial number found: 26300  
Duplicate atom serial number found: 26301  
Duplicate atom serial number found: 26302  
Duplicate atom serial number found: 26303  
Duplicate atom serial number found: 26304  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 156427  
ATOM 2630a OH2 TIP3W2430 35.139 38.545 35.198 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 156428  
ATOM 2630b H1 TIP3W2430 34.803 37.659 35.332 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 156429  
ATOM 2630c H2 TIP3W2430 35.754 38.680 35.919 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 156430  
ATOM 2630d OH2 TIP3W2431 -46.310 17.598 34.638 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 156431  
ATOM 2630e H1 TIP3W2431 -46.585 18.040 33.835 0.00 0.00 WT8  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 26310  
Duplicate atom serial number found: 26311  
Duplicate atom serial number found: 26312  
Duplicate atom serial number found: 26313  
Duplicate atom serial number found: 26314  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 156443  
ATOM 2631a H1 TIP3W2439 -53.040 -17.744 -40.574 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 156444  
ATOM 2631b H2 TIP3W2439 -54.518 -17.445 -40.438 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 156445  
ATOM 2631c OH2 TIP3W2440 30.956 -30.461 48.961 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 156446  
ATOM 2631d H1 TIP3W2440 30.379 -29.708 49.088 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 156447  
ATOM 2631e H2 TIP3W2440 31.337 -30.327 48.093 0.00 0.00 WT8  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 26320  
Duplicate atom serial number found: 26321  
Duplicate atom serial number found: 26322  
Duplicate atom serial number found: 26323  
Duplicate atom serial number found: 26324  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 156459  
ATOM 2632a H2 TIP3W2444 -23.760 30.822 2.608 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 156460  
ATOM 2632b OH2 TIP3W2445 -1.705 -29.949 34.944 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 156461  
ATOM 2632c H1 TIP3W2445 -2.173 -30.528 35.545 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 156462  
ATOM 2632d H2 TIP3W2445 -0.958 -29.631 35.450 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 156463  
ATOM 2632e OH2 TIP3W2446 -27.823 19.231 -45.622 0.00 0.00 WT8  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 26330  
Duplicate atom serial number found: 26331  
Duplicate atom serial number found: 26332  
Duplicate atom serial number found: 26333  
Duplicate atom serial number found: 26334  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 156475  
ATOM 2633a OH2 TIP3W2450 -57.864 48.211 -15.644 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 156476  
ATOM 2633b H1 TIP3W2450 -57.574 49.101 -15.444 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 156477  
ATOM 2633c H2 TIP3W2450 -58.816 48.240 -15.542 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 156478  
ATOM 2633d OH2 TIP3W2452 -58.868 20.649 58.293 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 156479  
ATOM 2633e H1 TIP3W2452 -58.641 21.577 58.354 0.00 0.00 WT8  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 26340  
Duplicate atom serial number found: 26341  
Duplicate atom serial number found: 26342  
Duplicate atom serial number found: 26343  
Duplicate atom serial number found: 26344  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 156491  
ATOM 2634a H1 TIP3W2459 -37.141 32.605 27.515 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 156492  
ATOM 2634b H2 TIP3W2459 -37.041 33.544 28.698 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 156493  
ATOM 2634c OH2 TIP3W2460 -12.219 -59.025 52.574 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 156494  
ATOM 2634d H1 TIP3W2460 -12.872 -58.447 52.968 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 156495  
ATOM 2634e H2 TIP3W2460 -11.379 -58.622 52.791 0.00 0.00 WT8  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 26350  
Duplicate atom serial number found: 26351  
Duplicate atom serial number found: 26352  
Duplicate atom serial number found: 26353  
Duplicate atom serial number found: 26354  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 156507  
ATOM 2635a H2 TIP3W2465 51.690 -55.806 -31.570 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 156508  
ATOM 2635b OH2 TIP3W2466 -30.193 54.524 -47.674 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 156509  
ATOM 2635c H1 TIP3W2466 -29.888 54.384 -46.778 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 156510  
ATOM 2635d H2 TIP3W2466 -29.571 55.150 -48.045 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 156511  
ATOM 2635e OH2 TIP3W2469 -10.109 -9.996 -57.087 0.00 0.00 WT8  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 26360  
Duplicate atom serial number found: 26361  
Duplicate atom serial number found: 26362  
Duplicate atom serial number found: 26363  
Duplicate atom serial number found: 26364  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 156523  
ATOM 2636a OH2 TIP3W2474 -33.467 -2.370 -30.630 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 156524  
ATOM 2636b H1 TIP3W2474 -33.305 -3.152 -30.104 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 156525  
ATOM 2636c H2 TIP3W2474 -32.936 -1.689 -30.218 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 156526  
ATOM 2636d OH2 TIP3W2477 -14.980 54.131 -18.206 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 156527  
ATOM 2636e H1 TIP3W2477 -15.536 53.654 -17.590 0.00 0.00 WT8  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 26370  
Duplicate atom serial number found: 26371  
Duplicate atom serial number found: 26372  
Duplicate atom serial number found: 26373  
Duplicate atom serial number found: 26374  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 156539  
ATOM 2637a H1 TIP3W2483 58.471 40.779 2.610 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 156540  
ATOM 2637b H2 TIP3W2483 59.666 40.743 1.682 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 156541  
ATOM 2637c OH2 TIP3W2484 -14.794 -11.011 11.654 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 156542  
ATOM 2637d H1 TIP3W2484 -14.794 -11.340 10.755 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 156543  
ATOM 2637e H2 TIP3W2484 -15.133 -11.739 12.175 0.00 0.00 WT8  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 26380  
Duplicate atom serial number found: 26381  
Duplicate atom serial number found: 26382  
Duplicate atom serial number found: 26383  
Duplicate atom serial number found: 26384  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 156555  
ATOM 2638a H2 TIP3W2491 -19.073 -35.479 -40.698 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 156556  
ATOM 2638b OH2 TIP3W2492 2.072 37.946 14.568 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 156557  
ATOM 2638c H1 TIP3W2492 3.012 37.813 14.450 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 156558  
ATOM 2638d H2 TIP3W2492 2.006 38.723 15.123 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 156559  
ATOM 2638e OH2 TIP3W2493 -30.246 47.408 53.832 0.00 0.00 WT8  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 26390  
Duplicate atom serial number found: 26391  
Duplicate atom serial number found: 26392  
Duplicate atom serial number found: 26393  
Duplicate atom serial number found: 26394  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 156571  
ATOM 2639a OH2 TIP3W2499 -39.388 38.653 -7.777 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 156572  
ATOM 2639b H1 TIP3W2499 -38.642 39.142 -7.429 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 156573  
ATOM 2639c H2 TIP3W2499 -39.145 38.456 -8.682 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 156574  
ATOM 2639d OH2 TIP3W2500 56.502 -37.140 -5.314 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 156575  
ATOM 2639e H1 TIP3W2500 56.665 -38.068 -5.145 0.00 0.00 WT8  
  
97 messages similar to the above omitted  
Duplicate atom serial number found: 26400  
Duplicate atom serial number found: 26401  
Duplicate atom serial number found: 26402  
Duplicate atom serial number found: 26403  
Duplicate atom serial number found: 26404  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 156683  
ATOM 2640a H1 TIP3W2548 -57.558 33.866 -48.027 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 156684  
ATOM 2640b H2 TIP3W2548 -58.683 34.793 -48.436 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 156685  
ATOM 2640c OH2 TIP3W2550 35.142 42.332 -11.263 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 156686  
ATOM 2640d H1 TIP3W2550 35.917 42.328 -10.701 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 156687  
ATOM 2640e H2 TIP3W2550 35.357 42.948 -11.964 0.00 0.00 WT8  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 26410  
Duplicate atom serial number found: 26411  
Duplicate atom serial number found: 26412  
Duplicate atom serial number found: 26413  
Duplicate atom serial number found: 26414  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 156699  
ATOM 2641a H2 TIP3W2555 -53.860 -30.591 -24.322 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 156700  
ATOM 2641b OH2 TIP3W2558 -15.395 -36.955 23.734 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 156701  
ATOM 2641c H1 TIP3W2558 -15.985 -36.213 23.865 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 156702  
ATOM 2641d H2 TIP3W2558 -15.971 -37.720 23.716 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 156703  
ATOM 2641e OH2 TIP3W2562 -2.793 57.227 30.760 0.00 0.00 WT8  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 26420  
Duplicate atom serial number found: 26421  
Duplicate atom serial number found: 26422  
Duplicate atom serial number found: 26423  
Duplicate atom serial number found: 26424  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 156715  
ATOM 2642a OH2 TIP3W2573 -22.482 -32.123 46.538 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 156716  
ATOM 2642b H1 TIP3W2573 -21.799 -32.235 47.200 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 156717  
ATOM 2642c H2 TIP3W2573 -22.997 -31.378 46.848 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 156718  
ATOM 2642d OH2 TIP3W2574 -54.407 12.999 -13.242 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 156719  
ATOM 2642e H1 TIP3W2574 -53.456 12.897 -13.242 0.00 0.00 WT8  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 26430  
Duplicate atom serial number found: 26431  
Duplicate atom serial number found: 26432  
Duplicate atom serial number found: 26433  
Duplicate atom serial number found: 26434  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 156731  
ATOM 2643a H1 TIP3W2580 0.781 -55.520 -43.927 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 156732  
ATOM 2643b H2 TIP3W2580 1.891 -54.919 -44.764 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 156733  
ATOM 2643c OH2 TIP3W2581 -57.873 14.057 -16.680 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 156734  
ATOM 2643d H1 TIP3W2581 -58.774 14.180 -16.380 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 156735  
ATOM 2643e H2 TIP3W2581 -57.546 13.324 -16.159 0.00 0.00 WT8  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 26440  
Duplicate atom serial number found: 26441  
Duplicate atom serial number found: 26442  
Duplicate atom serial number found: 26443  
Duplicate atom serial number found: 26444  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 156747  
ATOM 2644a H2 TIP3W2588 -60.728 -48.530 -49.965 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 156748  
ATOM 2644b OH2 TIP3W2589 -6.559 10.156 18.348 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 156749  
ATOM 2644c H1 TIP3W2589 -7.325 10.716 18.470 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 156750  
ATOM 2644d H2 TIP3W2589 -6.147 10.121 19.212 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 156751  
ATOM 2644e OH2 TIP3W2590 54.449 30.241 -27.344 0.00 0.00 WT8  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 26450  
Duplicate atom serial number found: 26451  
Duplicate atom serial number found: 26452  
Duplicate atom serial number found: 26453  
Duplicate atom serial number found: 26454  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 156763  
ATOM 2645a OH2 TIP3W2598 27.274 34.719 32.610 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 156764  
ATOM 2645b H1 TIP3W2598 27.105 35.565 32.195 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 156765  
ATOM 2645c H2 TIP3W2598 27.106 34.076 31.921 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 156766  
ATOM 2645d OH2 TIP3W2606 -60.541 20.952 45.236 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 156767  
ATOM 2645e H1 TIP3W2606 -60.932 20.206 44.781 0.00 0.00 WT8  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 26460  
Duplicate atom serial number found: 26461  
Duplicate atom serial number found: 26462  
Duplicate atom serial number found: 26463  
Duplicate atom serial number found: 26464  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 156779  
ATOM 2646a H1 TIP3W2613 20.093 11.425 -33.460 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 156780  
ATOM 2646b H2 TIP3W2613 21.006 12.282 -34.310 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 156781  
ATOM 2646c OH2 TIP3W2616 28.544 -10.007 58.006 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 156782  
ATOM 2646d H1 TIP3W2616 28.312 -9.132 57.693 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 156783  
ATOM 2646e H2 TIP3W2616 29.427 -9.907 58.363 0.00 0.00 WT8  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 26470  
Duplicate atom serial number found: 26471  
Duplicate atom serial number found: 26472  
Duplicate atom serial number found: 26473  
Duplicate atom serial number found: 26474  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 156795  
ATOM 2647a H2 TIP3W2624 47.098 -39.249 51.512 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 156796  
ATOM 2647b OH2 TIP3W2628 -23.656 -54.758 42.801 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 156797  
ATOM 2647c H1 TIP3W2628 -24.313 -54.417 43.408 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 156798  
ATOM 2647d H2 TIP3W2628 -22.830 -54.382 43.105 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 156799  
ATOM 2647e OH2 TIP3W2630 -36.208 55.122 -59.913 0.00 0.00 WT8  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 26480  
Duplicate atom serial number found: 26481  
Duplicate atom serial number found: 26482  
Duplicate atom serial number found: 26483  
Duplicate atom serial number found: 26484  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 156811  
ATOM 2648a OH2 TIP3W2635 -10.105 25.196 -3.107 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 156812  
ATOM 2648b H1 TIP3W2635 -9.212 25.229 -2.765 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 156813  
ATOM 2648c H2 TIP3W2635 -10.359 24.277 -3.029 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 156814  
ATOM 2648d OH2 TIP3W2636 36.458 58.613 -58.506 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 156815  
ATOM 2648e H1 TIP3W2636 36.917 59.216 -57.921 0.00 0.00 WT8  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 26490  
Duplicate atom serial number found: 26491  
Duplicate atom serial number found: 26492  
Duplicate atom serial number found: 26493  
Duplicate atom serial number found: 26494  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 156827  
ATOM 2649a H1 TIP3W2644 -1.915 34.864 -44.617 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 156828  
ATOM 2649b H2 TIP3W2644 -3.193 35.036 -45.411 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 156829  
ATOM 2649c OH2 TIP3W2649 18.249 35.109 11.046 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 156830  
ATOM 2649d H1 TIP3W2649 18.090 35.394 11.945 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 156831  
ATOM 2649e H2 TIP3W2649 17.948 35.840 10.506 0.00 0.00 WT8  
  
97 messages similar to the above omitted  
Duplicate atom serial number found: 26500  
Duplicate atom serial number found: 26501  
Duplicate atom serial number found: 26502  
Duplicate atom serial number found: 26503  
Duplicate atom serial number found: 26504  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 156939  
ATOM 2650a H2 TIP3W2700 -48.090 -30.084 -24.220 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 156940  
ATOM 2650b OH2 TIP3W2701 -2.041 48.008 53.189 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 156941  
ATOM 2650c H1 TIP3W2701 -2.404 47.151 52.967 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 156942  
ATOM 2650d H2 TIP3W2701 -2.220 48.551 52.422 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 156943  
ATOM 2650e OH2 TIP3W2702 8.130 14.455 -58.021 0.00 0.00 WT8  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 26510  
Duplicate atom serial number found: 26511  
Duplicate atom serial number found: 26512  
Duplicate atom serial number found: 26513  
Duplicate atom serial number found: 26514  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 156955  
ATOM 2651a OH2 TIP3W2709 33.817 -57.532 -49.860 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 156956  
ATOM 2651b H1 TIP3W2709 33.612 -56.678 -49.480 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 156957  
ATOM 2651c H2 TIP3W2709 33.900 -57.363 -50.799 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 156958  
ATOM 2651d OH2 TIP3W2710 -7.242 19.569 59.565 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 156959  
ATOM 2651e H1 TIP3W2710 -7.155 18.665 59.263 0.00 0.00 WT8  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 26520  
Duplicate atom serial number found: 26521  
Duplicate atom serial number found: 26522  
Duplicate atom serial number found: 26523  
Duplicate atom serial number found: 26524  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 156971  
ATOM 2652a H1 TIP3W2717 -22.646 -36.411 -0.635 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 156972  
ATOM 2652b H2 TIP3W2717 -21.482 -37.295 -0.242 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 156973  
ATOM 2652c OH2 TIP3W2718 32.202 0.767 10.172 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 156974  
ATOM 2652d H1 TIP3W2718 32.402 -0.033 10.657 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 156975  
ATOM 2652e H2 TIP3W2718 32.189 1.455 10.837 0.00 0.00 WT8  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 26530  
Duplicate atom serial number found: 26531  
Duplicate atom serial number found: 26532  
Duplicate atom serial number found: 26533  
Duplicate atom serial number found: 26534  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 156987  
ATOM 2653a H2 TIP3W2723 -52.552 16.036 -2.434 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 156988  
ATOM 2653b OH2 TIP3W2724 16.067 39.517 -58.950 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 156989  
ATOM 2653c H1 TIP3W2724 15.172 39.514 -59.290 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 156990  
ATOM 2653d H2 TIP3W2724 16.273 40.444 -58.824 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 156991  
ATOM 2653e OH2 TIP3W2725 22.019 55.024 18.902 0.00 0.00 WT8  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 26540  
Duplicate atom serial number found: 26541  
Duplicate atom serial number found: 26542  
Duplicate atom serial number found: 26543  
Duplicate atom serial number found: 26544  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 157003  
ATOM 2654a OH2 TIP3W2731 56.747 -5.552 31.441 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 157004  
ATOM 2654b H1 TIP3W2731 57.037 -5.089 32.227 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 157005  
ATOM 2654c H2 TIP3W2731 55.992 -6.065 31.730 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 157006  
ATOM 2654d OH2 TIP3W2732 22.580 57.713 -51.689 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 157007  
ATOM 2654e H1 TIP3W2732 22.060 58.342 -51.189 0.00 0.00 WT8  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 26550  
Duplicate atom serial number found: 26551  
Duplicate atom serial number found: 26552  
Duplicate atom serial number found: 26553  
Duplicate atom serial number found: 26554  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 157019  
ATOM 2655a H1 TIP3W2737 -52.198 -11.766 -46.422 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 157020  
ATOM 2655b H2 TIP3W2737 -50.968 -10.969 -46.804 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 157021  
ATOM 2655c OH2 TIP3W2738 8.960 -37.932 -4.535 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 157022  
ATOM 2655d H1 TIP3W2738 9.207 -37.069 -4.867 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 157023  
ATOM 2655e H2 TIP3W2738 8.065 -37.819 -4.217 0.00 0.00 WT8  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 26560  
Duplicate atom serial number found: 26561  
Duplicate atom serial number found: 26562  
Duplicate atom serial number found: 26563  
Duplicate atom serial number found: 26564  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 157035  
ATOM 2656a H2 TIP3W2742 27.410 -20.566 29.608 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 157036  
ATOM 2656b OH2 TIP3W2743 -60.576 -59.502 -37.675 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 157037  
ATOM 2656c H1 TIP3W2743 -60.506 -60.296 -38.206 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 157038  
ATOM 2656d H2 TIP3W2743 -60.302 -59.774 -36.799 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 157039  
ATOM 2656e OH2 TIP3W2745 31.613 35.017 32.441 0.00 0.00 WT8  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 26570  
Duplicate atom serial number found: 26571  
Duplicate atom serial number found: 26572  
Duplicate atom serial number found: 26573  
Duplicate atom serial number found: 26574  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 157051  
ATOM 2657a OH2 TIP3W2754 57.074 -19.257 -15.099 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 157052  
ATOM 2657b H1 TIP3W2754 57.648 -20.012 -15.228 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 157053  
ATOM 2657c H2 TIP3W2754 57.501 -18.546 -15.577 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 157054  
ATOM 2657d OH2 TIP3W2755 22.763 17.833 -7.048 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 157055  
ATOM 2657e H1 TIP3W2755 22.277 17.009 -7.016 0.00 0.00 WT8  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 26580  
Duplicate atom serial number found: 26581  
Duplicate atom serial number found: 26582  
Duplicate atom serial number found: 26583  
Duplicate atom serial number found: 26584  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 157067  
ATOM 2658a H1 TIP3W2759 -50.987 2.738 -1.774 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 157068  
ATOM 2658b H2 TIP3W2759 -51.390 3.697 -2.874 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 157069  
ATOM 2658c OH2 TIP3W2761 -27.151 13.805 -10.515 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 157070  
ATOM 2658d H1 TIP3W2761 -27.194 14.605 -11.038 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 157071  
ATOM 2658e H2 TIP3W2761 -26.621 13.204 -11.038 0.00 0.00 WT8  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 26590  
Duplicate atom serial number found: 26591  
Duplicate atom serial number found: 26592  
Duplicate atom serial number found: 26593  
Duplicate atom serial number found: 26594  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 157083  
ATOM 2659a H2 TIP3W2767 27.569 39.739 -39.023 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 157084  
ATOM 2659b OH2 TIP3W2768 26.868 -3.782 32.807 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 157085  
ATOM 2659c H1 TIP3W2768 26.473 -4.624 33.034 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 157086  
ATOM 2659d H2 TIP3W2768 27.198 -3.440 33.637 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 157087  
ATOM 2659e OH2 TIP3W2770 42.891 6.381 8.613 0.00 0.00 WT8  
  
97 messages similar to the above omitted  
Duplicate atom serial number found: 26600  
Duplicate atom serial number found: 26601  
Duplicate atom serial number found: 26602  
Duplicate atom serial number found: 26603  
Duplicate atom serial number found: 26604  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 157195  
ATOM 2660a OH2 TIP3W2815 -44.447 16.211 58.430 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 157196  
ATOM 2660b H1 TIP3W2815 -44.129 16.398 57.548 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 157197  
ATOM 2660c H2 TIP3W2815 -43.656 16.164 58.966 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 157198  
ATOM 2660d OH2 TIP3W2817 -44.737 8.042 21.875 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 157199  
ATOM 2660e H1 TIP3W2817 -44.260 7.824 22.675 0.00 0.00 WT8  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 26610  
Duplicate atom serial number found: 26611  
Duplicate atom serial number found: 26612  
Duplicate atom serial number found: 26613  
Duplicate atom serial number found: 26614  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 157211  
ATOM 2661a H1 TIP3W2823 33.669 -13.797 35.571 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 157212  
ATOM 2661b H2 TIP3W2823 32.452 -14.149 36.399 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 157213  
ATOM 2661c OH2 TIP3W2824 -21.921 43.180 26.955 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 157214  
ATOM 2661d H1 TIP3W2824 -22.350 43.975 27.271 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 157215  
ATOM 2661e H2 TIP3W2824 -22.641 42.580 26.763 0.00 0.00 WT8  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 26620  
Duplicate atom serial number found: 26621  
Duplicate atom serial number found: 26622  
Duplicate atom serial number found: 26623  
Duplicate atom serial number found: 26624  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 157227  
ATOM 2662a H2 TIP3W2828 -55.737 -25.678 -57.091 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 157228  
ATOM 2662b OH2 TIP3W2829 59.581 0.790 -58.328 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 157229  
ATOM 2662c H1 TIP3W2829 58.830 1.115 -58.825 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 157230  
ATOM 2662d H2 TIP3W2829 60.240 0.590 -58.992 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 157231  
ATOM 2662e OH2 TIP3W2830 -32.250 27.945 3.063 0.00 0.00 WT8  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 26630  
Duplicate atom serial number found: 26631  
Duplicate atom serial number found: 26632  
Duplicate atom serial number found: 26633  
Duplicate atom serial number found: 26634  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 157243  
ATOM 2663a OH2 TIP3W2834 19.736 -43.719 -48.633 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 157244  
ATOM 2663b H1 TIP3W2834 19.987 -44.309 -47.923 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 157245  
ATOM 2663c H2 TIP3W2834 20.565 -43.372 -48.961 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 157246  
ATOM 2663d OH2 TIP3W2838 -33.225 -37.911 -22.864 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 157247  
ATOM 2663e H1 TIP3W2838 -33.645 -37.080 -23.086 0.00 0.00 WT8  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 26640  
Duplicate atom serial number found: 26641  
Duplicate atom serial number found: 26642  
Duplicate atom serial number found: 26643  
Duplicate atom serial number found: 26644  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 157259  
ATOM 2664a H1 TIP3W2842 -25.662 -26.733 17.165 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 157260  
ATOM 2664b H2 TIP3W2842 -25.516 -25.318 16.645 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 157261  
ATOM 2664c OH2 TIP3W2843 -19.153 -9.694 -17.269 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 157262  
ATOM 2664d H1 TIP3W2843 -19.756 -9.142 -17.767 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 157263  
ATOM 2664e H2 TIP3W2843 -19.667 -10.470 -17.044 0.00 0.00 WT8  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 26650  
Duplicate atom serial number found: 26651  
Duplicate atom serial number found: 26652  
Duplicate atom serial number found: 26653  
Duplicate atom serial number found: 26654  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 157275  
ATOM 2665a H2 TIP3W2847 -58.111 8.620 -0.406 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 157276  
ATOM 2665b OH2 TIP3W2848 36.620 -10.021 -25.518 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 157277  
ATOM 2665c H1 TIP3W2848 37.055 -10.100 -26.367 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 157278  
ATOM 2665d H2 TIP3W2848 36.319 -10.908 -25.319 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 157279  
ATOM 2665e OH2 TIP3W2849 45.868 45.476 -39.850 0.00 0.00 WT8  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 26660  
Duplicate atom serial number found: 26661  
Duplicate atom serial number found: 26662  
Duplicate atom serial number found: 26663  
Duplicate atom serial number found: 26664  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 157291  
ATOM 2666a OH2 TIP3W2857 28.687 21.586 -5.127 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 157292  
ATOM 2666b H1 TIP3W2857 28.013 22.048 -5.625 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 157293  
ATOM 2666c H2 TIP3W2857 28.378 20.681 -5.085 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 157294  
ATOM 2666d OH2 TIP3W2858 58.538 -5.448 -24.019 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 157295  
ATOM 2666e H1 TIP3W2858 58.689 -6.194 -24.600 0.00 0.00 WT8  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 26670  
Duplicate atom serial number found: 26671  
Duplicate atom serial number found: 26672  
Duplicate atom serial number found: 26673  
Duplicate atom serial number found: 26674  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 157307  
ATOM 2667a H1 TIP3W2862 44.191 3.381 25.007 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 157308  
ATOM 2667b H2 TIP3W2862 44.598 4.693 24.371 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 157309  
ATOM 2667c OH2 TIP3W2863 54.033 -21.858 -26.742 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 157310  
ATOM 2667d H1 TIP3W2863 54.459 -22.277 -25.994 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 157311  
ATOM 2667e H2 TIP3W2863 54.600 -22.062 -27.486 0.00 0.00 WT8  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 26680  
Duplicate atom serial number found: 26681  
Duplicate atom serial number found: 26682  
Duplicate atom serial number found: 26683  
Duplicate atom serial number found: 26684  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 157323  
ATOM 2668a H2 TIP3W2867 -4.672 -47.726 30.047 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 157324  
ATOM 2668b OH2 TIP3W2868 60.734 48.353 -48.461 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 157325  
ATOM 2668c H1 TIP3W2868 60.686 47.989 -47.576 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 157326  
ATOM 2668d H2 TIP3W2868 59.949 48.895 -48.540 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 157327  
ATOM 2668e OH2 TIP3W2869 46.025 3.790 27.742 0.00 0.00 WT8  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 26690  
Duplicate atom serial number found: 26691  
Duplicate atom serial number found: 26692  
Duplicate atom serial number found: 26693  
Duplicate atom serial number found: 26694  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 157339  
ATOM 2669a OH2 TIP3W2874 -22.905 16.497 -47.198 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 157340  
ATOM 2669b H1 TIP3W2874 -22.678 17.350 -47.568 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 157341  
ATOM 2669c H2 TIP3W2874 -23.831 16.573 -46.969 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 157342  
ATOM 2669d OH2 TIP3W2875 25.326 38.056 57.453 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 157343  
ATOM 2669e H1 TIP3W2875 25.845 37.253 57.486 0.00 0.00 WT8  
  
97 messages similar to the above omitted  
Duplicate atom serial number found: 26700  
Duplicate atom serial number found: 26701  
Duplicate atom serial number found: 26702  
Duplicate atom serial number found: 26703  
Duplicate atom serial number found: 26704  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 157451  
ATOM 2670a H1 TIP3W2925 -24.732 34.226 57.742 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 157452  
ATOM 2670b H2 TIP3W2925 -24.038 33.404 58.807 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 157453  
ATOM 2670c OH2 TIP3W2926 -54.824 -48.310 -2.336 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 157454  
ATOM 2670d H1 TIP3W2926 -55.713 -48.526 -2.052 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 157455  
ATOM 2670e H2 TIP3W2926 -54.681 -47.419 -2.016 0.00 0.00 WT8  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 26710  
Duplicate atom serial number found: 26711  
Duplicate atom serial number found: 26712  
Duplicate atom serial number found: 26713  
Duplicate atom serial number found: 26714  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 157467  
ATOM 2671a H2 TIP3W2930 38.438 -14.037 -19.637 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 157468  
ATOM 2671b OH2 TIP3W2932 -1.127 51.113 -44.489 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 157469  
ATOM 2671c H1 TIP3W2932 -1.224 51.465 -43.604 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 157470  
ATOM 2671d H2 TIP3W2932 -0.415 51.623 -44.874 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 157471  
ATOM 2671e OH2 TIP3W2933 -53.446 -24.767 16.861 0.00 0.00 WT8  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 26720  
Duplicate atom serial number found: 26721  
Duplicate atom serial number found: 26722  
Duplicate atom serial number found: 26723  
Duplicate atom serial number found: 26724  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 157483  
ATOM 2672a OH2 TIP3W2938 27.263 1.010 15.397 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 157484  
ATOM 2672b H1 TIP3W2938 27.442 1.165 14.470 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 157485  
ATOM 2672c H2 TIP3W2938 27.928 0.377 15.668 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 157486  
ATOM 2672d OH2 TIP3W2941 46.035 23.516 30.988 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 157487  
ATOM 2672e H1 TIP3W2941 45.781 24.389 30.688 0.00 0.00 WT8  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 26730  
Duplicate atom serial number found: 26731  
Duplicate atom serial number found: 26732  
Duplicate atom serial number found: 26733  
Duplicate atom serial number found: 26734  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 157499  
ATOM 2673a H1 TIP3W2946 -58.723 52.303 -39.543 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 157500  
ATOM 2673b H2 TIP3W2946 -59.379 52.866 -38.300 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 157501  
ATOM 2673c OH2 TIP3W2947 56.039 -6.617 22.047 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 157502  
ATOM 2673d H1 TIP3W2947 55.716 -6.249 21.225 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 157503  
ATOM 2673e H2 TIP3W2947 56.861 -6.155 22.211 0.00 0.00 WT8  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 26740  
Duplicate atom serial number found: 26741  
Duplicate atom serial number found: 26742  
Duplicate atom serial number found: 26743  
Duplicate atom serial number found: 26744  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 157515  
ATOM 2674a H2 TIP3W2951 -8.479 -49.655 19.700 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 157516  
ATOM 2674b OH2 TIP3W2952 21.292 35.664 13.921 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 157517  
ATOM 2674c H1 TIP3W2952 20.857 35.296 13.151 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 157518  
ATOM 2674d H2 TIP3W2952 21.903 34.982 14.200 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 157519  
ATOM 2674e OH2 TIP3W2953 -32.123 19.807 13.847 0.00 0.00 WT8  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 26750  
Duplicate atom serial number found: 26751  
Duplicate atom serial number found: 26752  
Duplicate atom serial number found: 26753  
Duplicate atom serial number found: 26754  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 157531  
ATOM 2675a OH2 TIP3W2958 21.920 19.397 -27.269 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 157532  
ATOM 2675b H1 TIP3W2958 21.855 19.203 -28.204 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 157533  
ATOM 2675c H2 TIP3W2958 22.660 18.872 -26.966 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 157534  
ATOM 2675d OH2 TIP3W2959 7.169 26.740 -0.450 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 157535  
ATOM 2675e H1 TIP3W2959 6.462 26.101 -0.545 0.00 0.00 WT8  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 26760  
Duplicate atom serial number found: 26761  
Duplicate atom serial number found: 26762  
Duplicate atom serial number found: 26763  
Duplicate atom serial number found: 26764  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 157547  
ATOM 2676a H1 TIP3W2965 -19.350 -19.983 -3.532 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 157548  
ATOM 2676b H2 TIP3W2965 -19.557 -18.486 -3.619 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 157549  
ATOM 2676c OH2 TIP3W2966 -24.441 -54.112 -53.276 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 157550  
ATOM 2676d H1 TIP3W2966 -23.650 -54.068 -52.739 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 157551  
ATOM 2676e H2 TIP3W2966 -24.128 -53.999 -54.173 0.00 0.00 WT8  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 26770  
Duplicate atom serial number found: 26771  
Duplicate atom serial number found: 26772  
Duplicate atom serial number found: 26773  
Duplicate atom serial number found: 26774  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 157563  
ATOM 2677a H2 TIP3W2970 49.752 28.098 -9.366 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 157564  
ATOM 2677b OH2 TIP3W2972 -15.413 13.806 -19.018 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 157565  
ATOM 2677c H1 TIP3W2972 -14.619 13.410 -18.660 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 157566  
ATOM 2677d H2 TIP3W2972 -15.877 13.080 -19.435 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 157567  
ATOM 2677e OH2 TIP3W2974 -28.150 47.270 -31.419 0.00 0.00 WT8  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 26780  
Duplicate atom serial number found: 26781  
Duplicate atom serial number found: 26782  
Duplicate atom serial number found: 26783  
Duplicate atom serial number found: 26784  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 157579  
ATOM 2678a OH2 TIP3W2983 18.340 44.264 -46.979 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 157580  
ATOM 2678b H1 TIP3W2983 17.645 44.375 -47.627 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 157581  
ATOM 2678c H2 TIP3W2983 18.576 43.338 -47.035 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 157582  
ATOM 2678d OH2 TIP3W2986 -14.304 60.846 -3.383 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 157583  
ATOM 2678e H1 TIP3W2986 -13.575 60.800 -2.764 0.00 0.00 WT8  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 26790  
Duplicate atom serial number found: 26791  
Duplicate atom serial number found: 26792  
Duplicate atom serial number found: 26793  
Duplicate atom serial number found: 26794  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 157595  
ATOM 2679a H1 TIP3W2991 -44.095 9.060 -50.026 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 157596  
ATOM 2679b H2 TIP3W2991 -44.397 9.786 -51.320 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 157597  
ATOM 2679c OH2 TIP3W2992 31.547 38.234 41.594 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 157598  
ATOM 2679d H1 TIP3W2992 31.583 39.108 41.205 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 157599  
ATOM 2679e H2 TIP3W2992 31.267 38.385 42.497 0.00 0.00 WT8  
  
97 messages similar to the above omitted  
Duplicate atom serial number found: 26800  
Duplicate atom serial number found: 26801  
Duplicate atom serial number found: 26802  
Duplicate atom serial number found: 26803  
Duplicate atom serial number found: 26804  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 157707  
ATOM 2680a H2 TIP3W3049 28.443 -29.159 -23.075 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 157708  
ATOM 2680b OH2 TIP3W3050 51.026 -35.935 -32.260 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 157709  
ATOM 2680c H1 TIP3W3050 50.622 -35.744 -31.413 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 157710  
ATOM 2680d H2 TIP3W3050 51.344 -36.834 -32.178 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 157711  
ATOM 2680e OH2 TIP3W3053 28.027 30.231 10.603 0.00 0.00 WT8  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 26810  
Duplicate atom serial number found: 26811  
Duplicate atom serial number found: 26812  
Duplicate atom serial number found: 26813  
Duplicate atom serial number found: 26814  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 157723  
ATOM 2681a OH2 TIP3W3058 15.729 10.117 32.236 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 157724  
ATOM 2681b H1 TIP3W3058 15.540 11.044 32.380 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 157725  
ATOM 2681c H2 TIP3W3058 16.651 10.097 31.981 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 157726  
ATOM 2681d OH2 TIP3W3059 14.043 1.279 -15.204 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 157727  
ATOM 2681e H1 TIP3W3059 14.063 1.731 -16.048 0.00 0.00 WT8  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 26820  
Duplicate atom serial number found: 26821  
Duplicate atom serial number found: 26822  
Duplicate atom serial number found: 26823  
Duplicate atom serial number found: 26824  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 157739  
ATOM 2682a H1 TIP3W3072 -0.467 -7.883 -60.676 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 157740  
ATOM 2682b H2 TIP3W3072 -0.330 -8.831 -61.849 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 157741  
ATOM 2682c OH2 TIP3W3075 16.349 44.754 -48.849 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 157742  
ATOM 2682d H1 TIP3W3075 16.016 44.994 -49.714 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 157743  
ATOM 2682e H2 TIP3W3075 15.937 43.912 -48.657 0.00 0.00 WT8  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 26830  
Duplicate atom serial number found: 26831  
Duplicate atom serial number found: 26832  
Duplicate atom serial number found: 26833  
Duplicate atom serial number found: 26834  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 157755  
ATOM 2683a H2 TIP3W3085 30.713 -4.376 14.885 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 157756  
ATOM 2683b OH2 TIP3W3086 18.559 9.609 41.717 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 157757  
ATOM 2683c H1 TIP3W3086 18.553 8.842 42.290 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 157758  
ATOM 2683d H2 TIP3W3086 17.861 9.442 41.085 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 157759  
ATOM 2683e OH2 TIP3W3087 -18.981 37.765 50.885 0.00 0.00 WT8  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 26840  
Duplicate atom serial number found: 26841  
Duplicate atom serial number found: 26842  
Duplicate atom serial number found: 26843  
Duplicate atom serial number found: 26844  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 157771  
ATOM 2684a OH2 TIP3W3095 36.747 -12.942 -30.866 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 157772  
ATOM 2684b H1 TIP3W3095 37.183 -13.131 -31.697 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 157773  
ATOM 2684c H2 TIP3W3095 37.142 -12.123 -30.568 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 157774  
ATOM 2684d OH2 TIP3W3096 37.511 26.511 -38.379 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 157775  
ATOM 2684e H1 TIP3W3096 38.054 27.266 -38.152 0.00 0.00 WT8  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 26850  
Duplicate atom serial number found: 26851  
Duplicate atom serial number found: 26852  
Duplicate atom serial number found: 26853  
Duplicate atom serial number found: 26854  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 157787  
ATOM 2685a H1 TIP3W3102 49.888 10.570 22.481 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 157788  
ATOM 2685b H2 TIP3W3102 50.711 9.300 22.515 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 157789  
ATOM 2685c OH2 TIP3W3103 11.420 31.202 42.589 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 157790  
ATOM 2685d H1 TIP3W3103 10.553 31.432 42.924 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 157791  
ATOM 2685e H2 TIP3W3103 11.381 30.255 42.456 0.00 0.00 WT8  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 26860  
Duplicate atom serial number found: 26861  
Duplicate atom serial number found: 26862  
Duplicate atom serial number found: 26863  
Duplicate atom serial number found: 26864  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 157803  
ATOM 2686a H2 TIP3W3112 7.722 -40.235 -24.835 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 157804  
ATOM 2686b OH2 TIP3W3113 39.664 7.022 43.758 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 157805  
ATOM 2686c H1 TIP3W3113 39.162 6.307 43.367 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 157806  
ATOM 2686d H2 TIP3W3113 40.399 6.589 44.193 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 157807  
ATOM 2686e OH2 TIP3W3114 33.313 -53.841 7.089 0.00 0.00 WT8  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 26870  
Duplicate atom serial number found: 26871  
Duplicate atom serial number found: 26872  
Duplicate atom serial number found: 26873  
Duplicate atom serial number found: 26874  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 157819  
ATOM 2687a OH2 TIP3W3120 36.612 44.537 -58.492 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 157820  
ATOM 2687b H1 TIP3W3120 36.394 43.802 -57.919 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 157821  
ATOM 2687c H2 TIP3W3120 37.029 45.176 -57.913 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 157822  
ATOM 2687d OH2 TIP3W3121 35.636 -40.513 22.347 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 157823  
ATOM 2687e H1 TIP3W3121 35.845 -40.280 21.443 0.00 0.00 WT8  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 26880  
Duplicate atom serial number found: 26881  
Duplicate atom serial number found: 26882  
Duplicate atom serial number found: 26883  
Duplicate atom serial number found: 26884  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 157835  
ATOM 2688a H1 TIP3W3125 -4.608 -55.337 -57.281 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 157836  
ATOM 2688b H2 TIP3W3125 -3.593 -54.261 -56.955 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 157837  
ATOM 2688c OH2 TIP3W3133 24.784 38.268 -8.368 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 157838  
ATOM 2688d H1 TIP3W3133 24.064 38.887 -8.251 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 157839  
ATOM 2688e H2 TIP3W3133 24.375 37.406 -8.289 0.00 0.00 WT8  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 26890  
Duplicate atom serial number found: 26891  
Duplicate atom serial number found: 26892  
Duplicate atom serial number found: 26893  
Duplicate atom serial number found: 26894  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 157851  
ATOM 2689a H2 TIP3W3139 54.298 46.326 -48.553 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 157852  
ATOM 2689b OH2 TIP3W3140 10.160 -18.709 52.144 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 157853  
ATOM 2689c H1 TIP3W3140 10.145 -17.754 52.207 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 157854  
ATOM 2689d H2 TIP3W3140 9.645 -18.906 51.361 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 157855  
ATOM 2689e OH2 TIP3W3141 -57.658 -55.695 -51.736 0.00 0.00 WT8  
  
97 messages similar to the above omitted  
Duplicate atom serial number found: 26900  
Duplicate atom serial number found: 26901  
Duplicate atom serial number found: 26902  
Duplicate atom serial number found: 26903  
Duplicate atom serial number found: 26904  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 157963  
ATOM 2690a OH2 TIP3W3188 -32.815 -26.946 9.391 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 157964  
ATOM 2690b H1 TIP3W3188 -32.352 -26.939 10.229 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 157965  
ATOM 2690c H2 TIP3W3188 -32.153 -27.212 8.753 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 157966  
ATOM 2690d OH2 TIP3W3189 39.963 19.182 37.225 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 157967  
ATOM 2690e H1 TIP3W3189 40.718 18.602 37.318 0.00 0.00 WT8  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 26910  
Duplicate atom serial number found: 26911  
Duplicate atom serial number found: 26912  
Duplicate atom serial number found: 26913  
Duplicate atom serial number found: 26914  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 157979  
ATOM 2691a H1 TIP3W3196 49.058 35.563 -55.981 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 157980  
ATOM 2691b H2 TIP3W3196 50.275 35.765 -56.859 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 157981  
ATOM 2691c OH2 TIP3W3197 51.710 24.595 -59.039 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 157982  
ATOM 2691d H1 TIP3W3197 51.517 25.353 -59.592 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 157983  
ATOM 2691e H2 TIP3W3197 52.515 24.229 -59.406 0.00 0.00 WT8  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 26920  
Duplicate atom serial number found: 26921  
Duplicate atom serial number found: 26922  
Duplicate atom serial number found: 26923  
Duplicate atom serial number found: 26924  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 157995  
ATOM 2692a H2 TIP3W3201 -16.071 9.274 -55.274 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 157996  
ATOM 2692b OH2 TIP3W3202 15.122 -55.435 18.956 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 157997  
ATOM 2692c H1 TIP3W3202 15.830 -55.677 18.359 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 157998  
ATOM 2692d H2 TIP3W3202 15.276 -55.965 19.739 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 157999  
ATOM 2692e OH2 TIP3W3203 -39.930 -45.883 14.225 0.00 0.00 WT8  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 26930  
Duplicate atom serial number found: 26931  
Duplicate atom serial number found: 26932  
Duplicate atom serial number found: 26933  
Duplicate atom serial number found: 26934  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 158011  
ATOM 2693a OH2 TIP3W3210 18.795 6.813 -45.540 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 158012  
ATOM 2693b H1 TIP3W3210 18.207 7.202 -46.187 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 158013  
ATOM 2693c H2 TIP3W3210 18.498 5.906 -45.462 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 158014  
ATOM 2693d OH2 TIP3W3214 -1.802 -40.879 28.922 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 158015  
ATOM 2693e H1 TIP3W3214 -2.089 -40.916 29.835 0.00 0.00 WT8  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 26940  
Duplicate atom serial number found: 26941  
Duplicate atom serial number found: 26942  
Duplicate atom serial number found: 26943  
Duplicate atom serial number found: 26944  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 158027  
ATOM 2694a H1 TIP3W3219 10.348 24.814 -12.924 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 158028  
ATOM 2694b H2 TIP3W3219 11.130 25.900 -13.632 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 158029  
ATOM 2694c OH2 TIP3W3220 -49.491 18.051 -22.660 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 158030  
ATOM 2694d H1 TIP3W3220 -48.980 17.452 -22.115 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 158031  
ATOM 2694e H2 TIP3W3220 -50.380 17.992 -22.311 0.00 0.00 WT8  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 26950  
Duplicate atom serial number found: 26951  
Duplicate atom serial number found: 26952  
Duplicate atom serial number found: 26953  
Duplicate atom serial number found: 26954  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 158043  
ATOM 2695a H2 TIP3W3224 33.518 -6.461 43.024 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 158044  
ATOM 2695b OH2 TIP3W3225 49.876 -40.468 -6.034 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 158045  
ATOM 2695c H1 TIP3W3225 50.047 -41.385 -5.818 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 158046  
ATOM 2695d H2 TIP3W3225 50.684 -40.012 -5.800 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 158047  
ATOM 2695e OH2 TIP3W3226 27.704 54.950 18.232 0.00 0.00 WT8  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 26960  
Duplicate atom serial number found: 26961  
Duplicate atom serial number found: 26962  
Duplicate atom serial number found: 26963  
Duplicate atom serial number found: 26964  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 158059  
ATOM 2696a OH2 TIP3W3230 -13.892 16.368 -12.333 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 158060  
ATOM 2696b H1 TIP3W3230 -13.408 15.587 -12.599 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 158061  
ATOM 2696c H2 TIP3W3230 -13.482 17.082 -12.821 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 158062  
ATOM 2696d OH2 TIP3W3231 -50.328 43.392 -21.873 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 158063  
ATOM 2696e H1 TIP3W3231 -49.653 43.592 -21.224 0.00 0.00 WT8  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 26970  
Duplicate atom serial number found: 26971  
Duplicate atom serial number found: 26972  
Duplicate atom serial number found: 26973  
Duplicate atom serial number found: 26974  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 158075  
ATOM 2697a H1 TIP3W3237 15.605 -24.100 -47.354 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 158076  
ATOM 2697b H2 TIP3W3237 15.049 -22.826 -47.952 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 158077  
ATOM 2697c OH2 TIP3W3238 -13.724 49.730 32.408 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 158078  
ATOM 2697d H1 TIP3W3238 -12.991 49.488 31.842 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 158079  
ATOM 2697e H2 TIP3W3238 -13.384 49.630 33.297 0.00 0.00 WT8  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 26980  
Duplicate atom serial number found: 26981  
Duplicate atom serial number found: 26982  
Duplicate atom serial number found: 26983  
Duplicate atom serial number found: 26984  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 158091  
ATOM 2698a H2 TIP3W3242 54.655 24.579 -4.554 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 158092  
ATOM 2698b OH2 TIP3W3243 19.014 -21.225 50.063 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 158093  
ATOM 2698c H1 TIP3W3243 19.303 -20.529 50.653 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 158094  
ATOM 2698d H2 TIP3W3243 18.826 -21.965 50.640 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 158095  
ATOM 2698e OH2 TIP3W3244 2.301 -6.713 35.172 0.00 0.00 WT8  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 26990  
Duplicate atom serial number found: 26991  
Duplicate atom serial number found: 26992  
Duplicate atom serial number found: 26993  
Duplicate atom serial number found: 26994  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 158107  
ATOM 2699a OH2 TIP3W3248 28.110 44.906 -61.235 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 158108  
ATOM 2699b H1 TIP3W3248 28.096 45.857 -61.127 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 158109  
ATOM 2699c H2 TIP3W3248 28.959 44.637 -60.883 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 158110  
ATOM 2699d OH2 TIP3W3251 -23.761 42.169 -3.356 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 158111  
ATOM 2699e H1 TIP3W3251 -23.807 43.090 -3.097 0.00 0.00 WT8  
  
1633 messages similar to the above omitted  
Duplicate atom serial number found: 27000  
Duplicate atom serial number found: 27001  
Duplicate atom serial number found: 27002  
Duplicate atom serial number found: 27003  
Duplicate atom serial number found: 27004  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 159755  
ATOM 2700a H1 TIP3W4031 -12.354 -42.127 9.671 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 159756  
ATOM 2700b H2 TIP3W4031 -10.869 -42.184 9.959 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 159757  
ATOM 2700c OH2 TIP3W4033 39.802 19.360 -29.759 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 159758  
ATOM 2700d H1 TIP3W4033 39.939 20.135 -30.304 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 159759  
ATOM 2700e H2 TIP3W4033 38.861 19.194 -29.809 0.00 0.00 WT8  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 27010  
Duplicate atom serial number found: 27011  
Duplicate atom serial number found: 27012  
Duplicate atom serial number found: 27013  
Duplicate atom serial number found: 27014  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 159771  
ATOM 2701a H2 TIP3W4039 20.082 18.064 -20.939 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 159772  
ATOM 2701b OH2 TIP3W4040 5.893 -14.296 20.360 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 159773  
ATOM 2701c H1 TIP3W4040 6.668 -14.749 20.027 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 159774  
ATOM 2701d H2 TIP3W4040 6.067 -13.369 20.195 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 159775  
ATOM 2701e OH2 TIP3W4041 30.452 24.762 42.900 0.00 0.00 WT8  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 27020  
Duplicate atom serial number found: 27021  
Duplicate atom serial number found: 27022  
Duplicate atom serial number found: 27023  
Duplicate atom serial number found: 27024  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 159787  
ATOM 2702a OH2 TIP3W4045 -24.431 34.590 53.264 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 159788  
ATOM 2702b H1 TIP3W4045 -23.863 35.070 52.662 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 159789  
ATOM 2702c H2 TIP3W4045 -24.450 35.127 54.056 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 159790  
ATOM 2702d OH2 TIP3W4046 44.760 35.713 12.417 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 159791  
ATOM 2702e H1 TIP3W4046 45.585 35.495 11.983 0.00 0.00 WT8  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 27030  
Duplicate atom serial number found: 27031  
Duplicate atom serial number found: 27032  
Duplicate atom serial number found: 27033  
Duplicate atom serial number found: 27034  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 159803  
ATOM 2703a H1 TIP3W4054 -55.389 18.054 -25.398 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 159804  
ATOM 2703b H2 TIP3W4054 -54.113 18.092 -24.583 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 159805  
ATOM 2703c OH2 TIP3W4055 -9.158 -13.114 -57.094 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 159806  
ATOM 2703d H1 TIP3W4055 -8.554 -12.456 -56.748 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 159807  
ATOM 2703e H2 TIP3W4055 -9.256 -12.885 -58.018 0.00 0.00 WT8  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 27040  
Duplicate atom serial number found: 27041  
Duplicate atom serial number found: 27042  
Duplicate atom serial number found: 27043  
Duplicate atom serial number found: 27044  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 159819  
ATOM 2704a H2 TIP3W4059 -26.959 -9.864 -54.963 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 159820  
ATOM 2704b OH2 TIP3W4060 -9.131 26.521 5.744 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 159821  
ATOM 2704c H1 TIP3W4060 -9.365 25.799 6.328 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 159822  
ATOM 2704d H2 TIP3W4060 -8.685 26.100 5.010 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 159823  
ATOM 2704e OH2 TIP3W4063 34.797 53.255 -51.999 0.00 0.00 WT8  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 27050  
Duplicate atom serial number found: 27051  
Duplicate atom serial number found: 27052  
Duplicate atom serial number found: 27053  
Duplicate atom serial number found: 27054  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 159835  
ATOM 2705a OH2 TIP3W4067 -37.708 2.771 -32.369 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 159836  
ATOM 2705b H1 TIP3W4067 -36.772 2.969 -32.369 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 159837  
ATOM 2705c H2 TIP3W4067 -38.107 3.498 -32.848 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 159838  
ATOM 2705d OH2 TIP3W4068 -15.696 49.758 -19.061 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 159839  
ATOM 2705e H1 TIP3W4068 -14.775 50.020 -19.060 0.00 0.00 WT8  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 27060  
Duplicate atom serial number found: 27061  
Duplicate atom serial number found: 27062  
Duplicate atom serial number found: 27063  
Duplicate atom serial number found: 27064  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 159851  
ATOM 2706a H1 TIP3W4074 57.875 40.159 9.998 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 159852  
ATOM 2706b H2 TIP3W4074 59.068 40.630 9.193 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 159853  
ATOM 2706c OH2 TIP3W4076 -56.470 30.710 -57.219 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 159854  
ATOM 2706d H1 TIP3W4076 -57.096 30.113 -57.628 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 159855  
ATOM 2706e H2 TIP3W4076 -56.981 31.495 -57.021 0.00 0.00 WT8  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 27070  
Duplicate atom serial number found: 27071  
Duplicate atom serial number found: 27072  
Duplicate atom serial number found: 27073  
Duplicate atom serial number found: 27074  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 159867  
ATOM 2707a H2 TIP3W4080 6.845 24.860 57.423 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 159868  
ATOM 2707b OH2 TIP3W4081 43.125 -41.462 -5.740 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 159869  
ATOM 2707c H1 TIP3W4081 43.923 -40.935 -5.747 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 159870  
ATOM 2707d H2 TIP3W4081 42.422 -40.832 -5.579 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 159871  
ATOM 2707e OH2 TIP3W4082 -57.264 -5.179 -5.965 0.00 0.00 WT8  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 27080  
Duplicate atom serial number found: 27081  
Duplicate atom serial number found: 27082  
Duplicate atom serial number found: 27083  
Duplicate atom serial number found: 27084  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 159883  
ATOM 2708a OH2 TIP3W4086 51.443 6.341 22.847 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 159884  
ATOM 2708b H1 TIP3W4086 50.749 6.344 22.187 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 159885  
ATOM 2708c H2 TIP3W4086 51.919 7.158 22.698 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 159886  
ATOM 2708d OH2 TIP3W4087 25.907 -2.190 -18.520 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 159887  
ATOM 2708e H1 TIP3W4087 25.516 -2.156 -19.393 0.00 0.00 WT8  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 27090  
Duplicate atom serial number found: 27091  
Duplicate atom serial number found: 27092  
Duplicate atom serial number found: 27093  
Duplicate atom serial number found: 27094  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 159899  
ATOM 2709a H1 TIP3W4092 -50.696 -10.782 50.666 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 159900  
ATOM 2709b H2 TIP3W4092 -52.139 -10.911 50.227 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 159901  
ATOM 2709c OH2 TIP3W4093 -24.316 -5.638 13.963 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 159902  
ATOM 2709d H1 TIP3W4093 -24.288 -4.722 13.687 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 159903  
ATOM 2709e H2 TIP3W4093 -24.477 -6.128 13.157 0.00 0.00 WT8  
  
97 messages similar to the above omitted  
Duplicate atom serial number found: 27100  
Duplicate atom serial number found: 27101  
Duplicate atom serial number found: 27102  
Duplicate atom serial number found: 27103  
Duplicate atom serial number found: 27104  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 160011  
ATOM 2710a H2 TIP3W4143 9.322 54.772 42.766 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 160012  
ATOM 2710b OH2 TIP3W4144 41.410 -16.987 60.113 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 160013  
ATOM 2710c H1 TIP3W4144 40.550 -17.179 59.740 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 160014  
ATOM 2710d H2 TIP3W4144 41.293 -16.153 60.568 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 160015  
ATOM 2710e OH2 TIP3W4145 16.799 60.941 -6.873 0.00 0.00 WT8  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 27110  
Duplicate atom serial number found: 27111  
Duplicate atom serial number found: 27112  
Duplicate atom serial number found: 27113  
Duplicate atom serial number found: 27114  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 160027  
ATOM 2711a OH2 TIP3W4149 26.531 -38.753 23.639 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 160028  
ATOM 2711b H1 TIP3W4149 25.788 -38.679 24.237 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 160029  
ATOM 2711c H2 TIP3W4149 26.135 -38.837 22.772 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 160030  
ATOM 2711d OH2 TIP3W4150 19.774 -48.813 58.910 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 160031  
ATOM 2711e H1 TIP3W4150 19.531 -49.101 58.031 0.00 0.00 WT8  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 27120  
Duplicate atom serial number found: 27121  
Duplicate atom serial number found: 27122  
Duplicate atom serial number found: 27123  
Duplicate atom serial number found: 27124  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 160043  
ATOM 2712a H1 TIP3W4157 -32.100 -36.482 -51.689 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 160044  
ATOM 2712b H2 TIP3W4157 -31.730 -36.131 -50.263 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 160045  
ATOM 2712c OH2 TIP3W4158 -46.736 58.465 -38.055 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 160046  
ATOM 2712d H1 TIP3W4158 -46.552 58.640 -37.132 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 160047  
ATOM 2712e H2 TIP3W4158 -46.582 57.525 -38.156 0.00 0.00 WT8  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 27130  
Duplicate atom serial number found: 27131  
Duplicate atom serial number found: 27132  
Duplicate atom serial number found: 27133  
Duplicate atom serial number found: 27134  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 160059  
ATOM 2713a H2 TIP3W4163 -8.303 13.561 34.460 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 160060  
ATOM 2713b OH2 TIP3W4164 18.635 50.615 15.797 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 160061  
ATOM 2713c H1 TIP3W4164 18.828 51.390 16.325 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 160062  
ATOM 2713d H2 TIP3W4164 19.439 50.456 15.303 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 160063  
ATOM 2713e OH2 TIP3W4165 7.904 -44.047 -25.954 0.00 0.00 WT8  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 27140  
Duplicate atom serial number found: 27141  
Duplicate atom serial number found: 27142  
Duplicate atom serial number found: 27143  
Duplicate atom serial number found: 27144  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 160075  
ATOM 2714a OH2 TIP3W4169 -37.124 57.886 -5.332 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 160076  
ATOM 2714b H1 TIP3W4169 -37.020 57.073 -5.827 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 160077  
ATOM 2714c H2 TIP3W4169 -37.920 58.283 -5.687 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 160078  
ATOM 2714d OH2 TIP3W4170 9.492 -2.738 60.477 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 160079  
ATOM 2714e H1 TIP3W4170 8.681 -3.141 60.788 0.00 0.00 WT8  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 27150  
Duplicate atom serial number found: 27151  
Duplicate atom serial number found: 27152  
Duplicate atom serial number found: 27153  
Duplicate atom serial number found: 27154  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 160091  
ATOM 2715a H1 TIP3W4175 32.284 45.020 54.630 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 160092  
ATOM 2715b H2 TIP3W4175 32.395 43.545 54.954 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 160093  
ATOM 2715c OH2 TIP3W4176 -41.483 -52.091 -4.857 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 160094  
ATOM 2715d H1 TIP3W4176 -40.848 -52.344 -5.527 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 160095  
ATOM 2715e H2 TIP3W4176 -41.790 -51.227 -5.131 0.00 0.00 WT8  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 27160  
Duplicate atom serial number found: 27161  
Duplicate atom serial number found: 27162  
Duplicate atom serial number found: 27163  
Duplicate atom serial number found: 27164  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 160107  
ATOM 2716a H2 TIP3W4183 60.969 -21.630 -54.694 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 160108  
ATOM 2716b OH2 TIP3W4184 44.193 46.582 -14.565 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 160109  
ATOM 2716c H1 TIP3W4184 43.446 46.048 -14.294 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 160110  
ATOM 2716d H2 TIP3W4184 44.844 46.451 -13.875 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 160111  
ATOM 2716e OH2 TIP3W4185 1.080 28.478 28.597 0.00 0.00 WT8  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 27170  
Duplicate atom serial number found: 27171  
Duplicate atom serial number found: 27172  
Duplicate atom serial number found: 27173  
Duplicate atom serial number found: 27174  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 160123  
ATOM 2717a OH2 TIP3W4189 20.880 12.857 -48.180 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 160124  
ATOM 2717b H1 TIP3W4189 21.187 12.156 -47.605 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 160125  
ATOM 2717c H2 TIP3W4189 21.504 12.864 -48.906 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 160126  
ATOM 2717d OH2 TIP3W4190 -3.575 -31.540 18.085 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 160127  
ATOM 2717e H1 TIP3W4190 -4.032 -31.174 17.327 0.00 0.00 WT8  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 27180  
Duplicate atom serial number found: 27181  
Duplicate atom serial number found: 27182  
Duplicate atom serial number found: 27183  
Duplicate atom serial number found: 27184  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 160139  
ATOM 2718a H1 TIP3W4194 -18.785 -57.860 7.437 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 160140  
ATOM 2718b H2 TIP3W4194 -17.745 -58.529 6.564 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 160141  
ATOM 2718c OH2 TIP3W4195 -40.619 -53.854 -48.090 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 160142  
ATOM 2718d H1 TIP3W4195 -41.029 -53.462 -47.319 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 160143  
ATOM 2718e H2 TIP3W4195 -39.725 -54.054 -47.811 0.00 0.00 WT8  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 27190  
Duplicate atom serial number found: 27191  
Duplicate atom serial number found: 27192  
Duplicate atom serial number found: 27193  
Duplicate atom serial number found: 27194  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 160155  
ATOM 2719a H2 TIP3W4202 57.184 46.457 9.805 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 160156  
ATOM 2719b OH2 TIP3W4203 6.254 -17.568 55.415 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 160157  
ATOM 2719c H1 TIP3W4203 6.704 -17.868 56.204 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 160158  
ATOM 2719d H2 TIP3W4203 5.332 -17.770 55.574 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 160159  
ATOM 2719e OH2 TIP3W4205 56.123 -2.059 -41.196 0.00 0.00 WT8  
  
97 messages similar to the above omitted  
Duplicate atom serial number found: 27200  
Duplicate atom serial number found: 27201  
Duplicate atom serial number found: 27202  
Duplicate atom serial number found: 27203  
Duplicate atom serial number found: 27204  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 160267  
ATOM 2720a OH2 TIP3W4250 37.391 13.328 45.554 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 160268  
ATOM 2720b H1 TIP3W4250 38.263 13.649 45.321 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 160269  
ATOM 2720c H2 TIP3W4250 37.467 12.375 45.510 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 160270  
ATOM 2720d OH2 TIP3W4251 -53.211 -2.645 44.322 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 160271  
ATOM 2720e H1 TIP3W4251 -52.764 -3.491 44.287 0.00 0.00 WT8  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 27210  
Duplicate atom serial number found: 27211  
Duplicate atom serial number found: 27212  
Duplicate atom serial number found: 27213  
Duplicate atom serial number found: 27214  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 160283  
ATOM 2721a H1 TIP3W4256 -39.330 14.675 -22.613 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 160284  
ATOM 2721b H2 TIP3W4256 -38.146 14.091 -23.355 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 160285  
ATOM 2721c OH2 TIP3W4257 28.264 16.647 -28.915 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 160286  
ATOM 2721d H1 TIP3W4257 28.490 15.948 -28.300 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 160287  
ATOM 2721e H2 TIP3W4257 29.085 17.120 -29.052 0.00 0.00 WT8  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 27220  
Duplicate atom serial number found: 27221  
Duplicate atom serial number found: 27222  
Duplicate atom serial number found: 27223  
Duplicate atom serial number found: 27224  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 160299  
ATOM 2722a H2 TIP3W4264 -7.742 -28.625 40.529 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 160300  
ATOM 2722b OH2 TIP3W4266 -29.114 -52.293 51.173 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 160301  
ATOM 2722c H1 TIP3W4266 -29.839 -52.059 50.594 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 160302  
ATOM 2722d H2 TIP3W4266 -28.363 -51.815 50.823 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 160303  
ATOM 2722e OH2 TIP3W4267 33.223 -27.838 26.520 0.00 0.00 WT8  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 27230  
Duplicate atom serial number found: 27231  
Duplicate atom serial number found: 27232  
Duplicate atom serial number found: 27233  
Duplicate atom serial number found: 27234  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 160315  
ATOM 2723a OH2 TIP3W4271 4.702 -6.285 -39.413 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 160316  
ATOM 2723b H1 TIP3W4271 4.858 -5.343 -39.336 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 160317  
ATOM 2723c H2 TIP3W4271 5.381 -6.686 -38.871 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 160318  
ATOM 2723d OH2 TIP3W4272 4.981 1.671 -45.289 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 160319  
ATOM 2723e H1 TIP3W4272 4.372 2.072 -44.669 0.00 0.00 WT8  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 27240  
Duplicate atom serial number found: 27241  
Duplicate atom serial number found: 27242  
Duplicate atom serial number found: 27243  
Duplicate atom serial number found: 27244  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 160331  
ATOM 2724a H1 TIP3W4276 40.876 39.782 -14.852 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 160332  
ATOM 2724b H2 TIP3W4276 39.806 39.285 -15.801 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 160333  
ATOM 2724c OH2 TIP3W4277 -19.513 -42.485 -49.986 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 160334  
ATOM 2724d H1 TIP3W4277 -20.248 -42.759 -50.535 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 160335  
ATOM 2724e H2 TIP3W4277 -19.352 -43.232 -49.410 0.00 0.00 WT8  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 27250  
Duplicate atom serial number found: 27251  
Duplicate atom serial number found: 27252  
Duplicate atom serial number found: 27253  
Duplicate atom serial number found: 27254  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 160347  
ATOM 2725a H2 TIP3W4282 -15.082 -42.783 49.718 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 160348  
ATOM 2725b OH2 TIP3W4283 9.582 29.630 21.390 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 160349  
ATOM 2725c H1 TIP3W4283 10.471 29.320 21.560 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 160350  
ATOM 2725d H2 TIP3W4283 9.673 30.576 21.281 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 160351  
ATOM 2725e OH2 TIP3W4287 -17.283 34.103 -17.758 0.00 0.00 WT8  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 27260  
Duplicate atom serial number found: 27261  
Duplicate atom serial number found: 27262  
Duplicate atom serial number found: 27263  
Duplicate atom serial number found: 27264  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 160363  
ATOM 2726a OH2 TIP3W4292 49.788 -11.692 -20.546 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 160364  
ATOM 2726b H1 TIP3W4292 50.388 -11.418 -19.852 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 160365  
ATOM 2726c H2 TIP3W4292 49.880 -11.020 -21.222 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 160366  
ATOM 2726d OH2 TIP3W4293 3.698 5.429 -16.751 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 160367  
ATOM 2726e H1 TIP3W4293 2.807 5.311 -16.422 0.00 0.00 WT8  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 27270  
Duplicate atom serial number found: 27271  
Duplicate atom serial number found: 27272  
Duplicate atom serial number found: 27273  
Duplicate atom serial number found: 27274  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 160379  
ATOM 2727a H1 TIP3W4298 39.095 7.959 2.670 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 160380  
ATOM 2727b H2 TIP3W4298 39.862 8.757 1.638 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 160381  
ATOM 2727c OH2 TIP3W4299 -54.208 -8.517 17.472 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 160382  
ATOM 2727d H1 TIP3W4299 -54.468 -8.976 18.271 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 160383  
ATOM 2727e H2 TIP3W4299 -54.407 -9.131 16.766 0.00 0.00 WT8  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 27280  
Duplicate atom serial number found: 27281  
Duplicate atom serial number found: 27282  
Duplicate atom serial number found: 27283  
Duplicate atom serial number found: 27284  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 160395  
ATOM 2728a H2 TIP3W4304 46.100 1.947 -46.224 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 160396  
ATOM 2728b OH2 TIP3W4305 35.937 -24.817 -59.698 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 160397  
ATOM 2728c H1 TIP3W4305 35.990 -24.363 -60.539 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 160398  
ATOM 2728d H2 TIP3W4305 36.295 -24.194 -59.066 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 160399  
ATOM 2728e OH2 TIP3W4306 -1.469 48.128 -41.967 0.00 0.00 WT8  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 27290  
Duplicate atom serial number found: 27291  
Duplicate atom serial number found: 27292  
Duplicate atom serial number found: 27293  
Duplicate atom serial number found: 27294  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 160411  
ATOM 2729a OH2 TIP3W4313 15.529 57.245 51.212 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 160412  
ATOM 2729b H1 TIP3W4313 15.898 56.402 51.475 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 160413  
ATOM 2729c H2 TIP3W4313 16.256 57.707 50.795 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 160414  
ATOM 2729d OH2 TIP3W4314 4.604 29.812 4.681 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 160415  
ATOM 2729e H1 TIP3W4314 4.969 29.053 4.227 0.00 0.00 WT8  
  
97 messages similar to the above omitted  
Duplicate atom serial number found: 27300  
Duplicate atom serial number found: 27301  
Duplicate atom serial number found: 27302  
Duplicate atom serial number found: 27303  
Duplicate atom serial number found: 27304  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 160523  
ATOM 2730a H1 TIP3W4385 -10.388 46.460 32.460 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 160524  
ATOM 2730b H2 TIP3W4385 -9.689 47.269 33.532 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 160525  
ATOM 2730c OH2 TIP3W4387 28.065 48.661 8.220 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 160526  
ATOM 2730d H1 TIP3W4387 27.590 47.830 8.242 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 160527  
ATOM 2730e H2 TIP3W4387 28.035 48.931 7.302 0.00 0.00 WT8  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 27310  
Duplicate atom serial number found: 27311  
Duplicate atom serial number found: 27312  
Duplicate atom serial number found: 27313  
Duplicate atom serial number found: 27314  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 160539  
ATOM 2731a H2 TIP3W4401 19.173 -23.802 40.472 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 160540  
ATOM 2731b OH2 TIP3W4403 -35.298 -29.405 -4.225 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 160541  
ATOM 2731c H1 TIP3W4403 -35.292 -28.524 -3.852 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 160542  
ATOM 2731d H2 TIP3W4403 -35.360 -29.265 -5.170 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 160543  
ATOM 2731e OH2 TIP3W4405 -58.719 -13.739 13.978 0.00 0.00 WT8  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 27320  
Duplicate atom serial number found: 27321  
Duplicate atom serial number found: 27322  
Duplicate atom serial number found: 27323  
Duplicate atom serial number found: 27324  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 160555  
ATOM 2732a OH2 TIP3W4413 -18.426 -25.489 57.079 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 160556  
ATOM 2732b H1 TIP3W4413 -18.081 -26.369 56.925 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 160557  
ATOM 2732c H2 TIP3W4413 -18.115 -24.976 56.333 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 160558  
ATOM 2732d OH2 TIP3W4414 -52.549 -20.526 -46.853 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 160559  
ATOM 2732e H1 TIP3W4414 -53.133 -20.554 -47.611 0.00 0.00 WT8  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 27330  
Duplicate atom serial number found: 27331  
Duplicate atom serial number found: 27332  
Duplicate atom serial number found: 27333  
Duplicate atom serial number found: 27334  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 160571  
ATOM 2733a H1 TIP3W4420 7.424 41.539 36.341 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 160572  
ATOM 2733b H2 TIP3W4420 8.410 42.504 36.965 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 160573  
ATOM 2733c OH2 TIP3W4421 -28.341 49.654 41.967 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 160574  
ATOM 2733d H1 TIP3W4421 -28.111 48.732 42.085 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 160575  
ATOM 2733e H2 TIP3W4421 -29.185 49.635 41.515 0.00 0.00 WT8  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 27340  
Duplicate atom serial number found: 27341  
Duplicate atom serial number found: 27342  
Duplicate atom serial number found: 27343  
Duplicate atom serial number found: 27344  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 160587  
ATOM 2734a H2 TIP3W4432 20.272 37.023 -41.686 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 160588  
ATOM 2734b OH2 TIP3W4437 -24.019 60.180 -0.544 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 160589  
ATOM 2734c H1 TIP3W4437 -24.137 59.788 -1.409 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 160590  
ATOM 2734d H2 TIP3W4437 -23.086 60.069 -0.356 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 160591  
ATOM 2734e OH2 TIP3W4438 -11.600 35.753 7.366 0.00 0.00 WT8  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 27350  
Duplicate atom serial number found: 27351  
Duplicate atom serial number found: 27352  
Duplicate atom serial number found: 27353  
Duplicate atom serial number found: 27354  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 160603  
ATOM 2735a OH2 TIP3W4446 3.619 -8.853 -32.304 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 160604  
ATOM 2735b H1 TIP3W4446 3.317 -8.646 -31.419 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 160605  
ATOM 2735c H2 TIP3W4446 3.827 -8.003 -32.692 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 160606  
ATOM 2735d OH2 TIP3W4451 -34.304 -50.856 -52.561 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 160607  
ATOM 2735e H1 TIP3W4451 -35.096 -51.301 -52.862 0.00 0.00 WT8  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 27360  
Duplicate atom serial number found: 27361  
Duplicate atom serial number found: 27362  
Duplicate atom serial number found: 27363  
Duplicate atom serial number found: 27364  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 160619  
ATOM 2736a H1 TIP3W4457 51.233 33.236 -1.672 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 160620  
ATOM 2736b H2 TIP3W4457 52.615 33.350 -2.280 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 160621  
ATOM 2736c OH2 TIP3W4459 -6.703 -15.876 -24.957 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 160622  
ATOM 2736d H1 TIP3W4459 -6.708 -15.080 -24.426 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 160623  
ATOM 2736e H2 TIP3W4459 -6.714 -15.562 -25.861 0.00 0.00 WT8  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 27370  
Duplicate atom serial number found: 27371  
Duplicate atom serial number found: 27372  
Duplicate atom serial number found: 27373  
Duplicate atom serial number found: 27374  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 160635  
ATOM 2737a H2 TIP3W4463 -17.482 -33.715 10.413 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 160636  
ATOM 2737b OH2 TIP3W4464 7.101 -29.956 -56.410 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 160637  
ATOM 2737c H1 TIP3W4464 7.270 -30.893 -56.313 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 160638  
ATOM 2737d H2 TIP3W4464 7.342 -29.580 -55.564 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 160639  
ATOM 2737e OH2 TIP3W4465 -10.942 26.770 -1.076 0.00 0.00 WT8  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 27380  
Duplicate atom serial number found: 27381  
Duplicate atom serial number found: 27382  
Duplicate atom serial number found: 27383  
Duplicate atom serial number found: 27384  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 160651  
ATOM 2738a OH2 TIP3W4469 2.273 53.375 -19.562 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 160652  
ATOM 2738b H1 TIP3W4469 3.060 53.080 -20.019 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 160653  
ATOM 2738c H2 TIP3W4469 1.600 53.413 -20.242 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 160654  
ATOM 2738d OH2 TIP3W4470 -50.941 13.648 58.731 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 160655  
ATOM 2738e H1 TIP3W4470 -50.393 12.877 58.585 0.00 0.00 WT8  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 27390  
Duplicate atom serial number found: 27391  
Duplicate atom serial number found: 27392  
Duplicate atom serial number found: 27393  
Duplicate atom serial number found: 27394  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 160667  
ATOM 2739a H1 TIP3W4478 -35.395 56.054 -43.048 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 160668  
ATOM 2739b H2 TIP3W4478 -34.374 55.015 -43.460 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 160669  
ATOM 2739c OH2 TIP3W4479 32.828 -48.276 -17.884 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 160670  
ATOM 2739d H1 TIP3W4479 32.326 -48.831 -17.287 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 160671  
ATOM 2739e H2 TIP3W4479 33.061 -47.509 -17.361 0.00 0.00 WT8  
  
97 messages similar to the above omitted  
Duplicate atom serial number found: 27400  
Duplicate atom serial number found: 27401  
Duplicate atom serial number found: 27402  
Duplicate atom serial number found: 27403  
Duplicate atom serial number found: 27404  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 160779  
ATOM 2740a H2 TIP3W4529 -17.235 -37.538 -54.855 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 160780  
ATOM 2740b OH2 TIP3W4530 -52.755 -16.413 2.048 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 160781  
ATOM 2740c H1 TIP3W4530 -52.308 -15.853 1.414 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 160782  
ATOM 2740d H2 TIP3W4530 -53.217 -17.059 1.513 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 160783  
ATOM 2740e OH2 TIP3W4531 25.694 0.104 2.468 0.00 0.00 WT8  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 27410  
Duplicate atom serial number found: 27411  
Duplicate atom serial number found: 27412  
Duplicate atom serial number found: 27413  
Duplicate atom serial number found: 27414  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 160795  
ATOM 2741a OH2 TIP3W4537 -57.183 -15.756 30.422 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 160796  
ATOM 2741b H1 TIP3W4537 -57.245 -15.554 31.355 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 160797  
ATOM 2741c H2 TIP3W4537 -57.155 -14.901 29.993 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 160798  
ATOM 2741d OH2 TIP3W4538 -18.791 20.007 -38.620 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 160799  
ATOM 2741e H1 TIP3W4538 -18.200 19.255 -38.635 0.00 0.00 WT8  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 27420  
Duplicate atom serial number found: 27421  
Duplicate atom serial number found: 27422  
Duplicate atom serial number found: 27423  
Duplicate atom serial number found: 27424  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 160811  
ATOM 2742a H1 TIP3W4542 44.693 -5.824 -21.320 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 160812  
ATOM 2742b H2 TIP3W4542 44.965 -4.753 -22.354 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 160813  
ATOM 2742c OH2 TIP3W4543 35.897 -15.102 43.700 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 160814  
ATOM 2742d H1 TIP3W4543 36.678 -14.549 43.703 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 160815  
ATOM 2742e H2 TIP3W4543 35.801 -15.376 42.787 0.00 0.00 WT8  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 27430  
Duplicate atom serial number found: 27431  
Duplicate atom serial number found: 27432  
Duplicate atom serial number found: 27433  
Duplicate atom serial number found: 27434  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 160827  
ATOM 2743a H2 TIP3W4547 13.824 -8.223 -25.849 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 160828  
ATOM 2743b OH2 TIP3W4548 59.403 22.563 -54.040 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 160829  
ATOM 2743c H1 TIP3W4548 59.852 22.636 -53.197 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 160830  
ATOM 2743d H2 TIP3W4548 59.007 23.424 -54.176 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 160831  
ATOM 2743e OH2 TIP3W4549 -11.748 49.269 -5.155 0.00 0.00 WT8  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 27440  
Duplicate atom serial number found: 27441  
Duplicate atom serial number found: 27442  
Duplicate atom serial number found: 27443  
Duplicate atom serial number found: 27444  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 160843  
ATOM 2744a OH2 TIP3W4555 -48.464 -32.163 25.873 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 160844  
ATOM 2744b H1 TIP3W4555 -48.856 -32.692 25.178 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 160845  
ATOM 2744c H2 TIP3W4555 -48.173 -31.365 25.431 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 160846  
ATOM 2744d OH2 TIP3W4558 45.980 0.058 -33.176 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 160847  
ATOM 2744e H1 TIP3W4558 45.109 -0.262 -32.940 0.00 0.00 WT8  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 27450  
Duplicate atom serial number found: 27451  
Duplicate atom serial number found: 27452  
Duplicate atom serial number found: 27453  
Duplicate atom serial number found: 27454  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 160859  
ATOM 2745a H1 TIP3W4562 -40.819 13.272 29.553 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 160860  
ATOM 2745b H2 TIP3W4562 -40.208 13.482 30.922 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 160861  
ATOM 2745c OH2 TIP3W4563 18.917 28.404 35.481 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 160862  
ATOM 2745d H1 TIP3W4563 19.818 28.641 35.698 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 160863  
ATOM 2745e H2 TIP3W4563 18.476 29.242 35.340 0.00 0.00 WT8  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 27460  
Duplicate atom serial number found: 27461  
Duplicate atom serial number found: 27462  
Duplicate atom serial number found: 27463  
Duplicate atom serial number found: 27464  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 160875  
ATOM 2746a H2 TIP3W4567 31.079 40.885 -11.734 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 160876  
ATOM 2746b OH2 TIP3W4568 1.889 15.611 -60.405 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 160877  
ATOM 2746c H1 TIP3W4568 1.571 16.139 -61.137 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 160878  
ATOM 2746d H2 TIP3W4568 1.681 14.710 -60.651 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 160879  
ATOM 2746e OH2 TIP3W4569 38.227 26.109 -49.376 0.00 0.00 WT8  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 27470  
Duplicate atom serial number found: 27471  
Duplicate atom serial number found: 27472  
Duplicate atom serial number found: 27473  
Duplicate atom serial number found: 27474  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 160891  
ATOM 2747a OH2 TIP3W4574 21.951 -31.763 35.079 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 160892  
ATOM 2747b H1 TIP3W4574 21.761 -31.098 35.741 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 160893  
ATOM 2747c H2 TIP3W4574 22.809 -32.109 35.327 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 160894  
ATOM 2747d OH2 TIP3W4578 24.105 -25.082 3.661 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 160895  
ATOM 2747e H1 TIP3W4578 23.860 -24.484 2.955 0.00 0.00 WT8  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 27480  
Duplicate atom serial number found: 27481  
Duplicate atom serial number found: 27482  
Duplicate atom serial number found: 27483  
Duplicate atom serial number found: 27484  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 160907  
ATOM 2748a H1 TIP3W4583 -25.063 -45.412 5.883 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 160908  
ATOM 2748b H2 TIP3W4583 -26.118 -46.267 6.552 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 160909  
ATOM 2748c OH2 TIP3W4584 -18.456 8.590 -27.512 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 160910  
ATOM 2748d H1 TIP3W4584 -18.547 9.390 -26.995 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 160911  
ATOM 2748e H2 TIP3W4584 -18.746 7.891 -26.926 0.00 0.00 WT8  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 27490  
Duplicate atom serial number found: 27491  
Duplicate atom serial number found: 27492  
Duplicate atom serial number found: 27493  
Duplicate atom serial number found: 27494  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 160923  
ATOM 2749a H2 TIP3W4588 -55.695 33.104 -58.951 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 160924  
ATOM 2749b OH2 TIP3W4589 -20.796 -43.343 47.899 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 160925  
ATOM 2749c H1 TIP3W4589 -20.341 -43.611 48.697 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 160926  
ATOM 2749d H2 TIP3W4589 -20.098 -43.212 47.257 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 160927  
ATOM 2749e OH2 TIP3W4590 30.450 -48.291 19.838 0.00 0.00 WT8  
  
97 messages similar to the above omitted  
Duplicate atom serial number found: 27500  
Duplicate atom serial number found: 27501  
Duplicate atom serial number found: 27502  
Duplicate atom serial number found: 27503  
Duplicate atom serial number found: 27504  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 161035  
ATOM 2750a OH2 TIP3W4631 -50.300 -13.922 30.645 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 161036  
ATOM 2750b H1 TIP3W4631 -50.726 -13.073 30.754 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 161037  
ATOM 2750c H2 TIP3W4631 -49.375 -13.752 30.825 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 161038  
ATOM 2750d OH2 TIP3W4632 -14.231 -37.674 -42.427 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 161039  
ATOM 2750e H1 TIP3W4632 -13.712 -38.445 -42.657 0.00 0.00 WT8  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 27510  
Duplicate atom serial number found: 27511  
Duplicate atom serial number found: 27512  
Duplicate atom serial number found: 27513  
Duplicate atom serial number found: 27514  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 161051  
ATOM 2751a H1 TIP3W4636 6.459 29.335 -46.575 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 161052  
ATOM 2751b H2 TIP3W4636 6.469 27.830 -46.412 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 161053  
ATOM 2751c OH2 TIP3W4637 23.905 -4.738 -60.132 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 161054  
ATOM 2751d H1 TIP3W4637 24.337 -5.521 -59.789 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 161055  
ATOM 2751e H2 TIP3W4637 23.152 -5.073 -60.619 0.00 0.00 WT8  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 27520  
Duplicate atom serial number found: 27521  
Duplicate atom serial number found: 27522  
Duplicate atom serial number found: 27523  
Duplicate atom serial number found: 27524  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 161067  
ATOM 2752a H2 TIP3W4643 -45.563 42.309 8.410 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 161068  
ATOM 2752b OH2 TIP3W4644 58.231 42.271 -30.256 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 161069  
ATOM 2752c H1 TIP3W4644 58.388 42.029 -31.168 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 161070  
ATOM 2752d H2 TIP3W4644 58.214 43.228 -30.261 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 161071  
ATOM 2752e OH2 TIP3W4645 6.286 -58.683 -29.647 0.00 0.00 WT8  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 27530  
Duplicate atom serial number found: 27531  
Duplicate atom serial number found: 27532  
Duplicate atom serial number found: 27533  
Duplicate atom serial number found: 27534  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 161083  
ATOM 2753a OH2 TIP3W4649 -58.510 -20.118 41.003 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 161084  
ATOM 2753b H1 TIP3W4649 -58.248 -19.208 41.140 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 161085  
ATOM 2753c H2 TIP3W4649 -58.798 -20.151 40.091 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 161086  
ATOM 2753d OH2 TIP3W4650 60.833 12.858 15.767 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 161087  
ATOM 2753e H1 TIP3W4650 61.510 12.563 15.159 0.00 0.00 WT8  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 27540  
Duplicate atom serial number found: 27541  
Duplicate atom serial number found: 27542  
Duplicate atom serial number found: 27543  
Duplicate atom serial number found: 27544  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 161099  
ATOM 2754a H1 TIP3W4654 22.802 57.990 -21.593 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 161100  
ATOM 2754b H2 TIP3W4654 23.575 58.898 -20.661 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 161101  
ATOM 2754c OH2 TIP3W4655 -0.007 25.928 -30.433 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 161102  
ATOM 2754d H1 TIP3W4655 -0.353 26.182 -31.289 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 161103  
ATOM 2754e H2 TIP3W4655 0.932 25.816 -30.577 0.00 0.00 WT8  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 27550  
Duplicate atom serial number found: 27551  
Duplicate atom serial number found: 27552  
Duplicate atom serial number found: 27553  
Duplicate atom serial number found: 27554  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 161115  
ATOM 2755a H2 TIP3W4663 -31.048 -36.949 -55.038 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 161116  
ATOM 2755b OH2 TIP3W4664 2.282 47.491 -9.548 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 161117  
ATOM 2755c H1 TIP3W4664 2.031 48.251 -10.073 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 161118  
ATOM 2755d H2 TIP3W4664 2.486 46.812 -10.191 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 161119  
ATOM 2755e OH2 TIP3W4665 -14.212 -39.431 32.467 0.00 0.00 WT8  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 27560  
Duplicate atom serial number found: 27561  
Duplicate atom serial number found: 27562  
Duplicate atom serial number found: 27563  
Duplicate atom serial number found: 27564  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 161131  
ATOM 2756a OH2 TIP3W4669 -36.769 -52.110 -52.968 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 161132  
ATOM 2756b H1 TIP3W4669 -37.322 -51.950 -52.203 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 161133  
ATOM 2756c H2 TIP3W4669 -37.137 -52.897 -53.369 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 161134  
ATOM 2756d OH2 TIP3W4670 -9.523 -16.069 8.721 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 161135  
ATOM 2756e H1 TIP3W4670 -10.283 -16.520 8.354 0.00 0.00 WT8  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 27570  
Duplicate atom serial number found: 27571  
Duplicate atom serial number found: 27572  
Duplicate atom serial number found: 27573  
Duplicate atom serial number found: 27574  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 161147  
ATOM 2757a H1 TIP3W4674 -16.717 -34.235 54.990 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 161148  
ATOM 2757b H2 TIP3W4674 -17.439 -34.356 53.665 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 161149  
ATOM 2757c OH2 TIP3W4675 32.914 23.314 3.245 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 161150  
ATOM 2757d H1 TIP3W4675 33.824 23.608 3.276 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 161151  
ATOM 2757e H2 TIP3W4675 32.423 24.006 3.688 0.00 0.00 WT8  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 27580  
Duplicate atom serial number found: 27581  
Duplicate atom serial number found: 27582  
Duplicate atom serial number found: 27583  
Duplicate atom serial number found: 27584  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 161163  
ATOM 2758a H2 TIP3W4681 -42.387 19.029 -42.139 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 161164  
ATOM 2758b OH2 TIP3W4684 46.169 -33.153 40.818 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 161165  
ATOM 2758c H1 TIP3W4684 46.479 -34.053 40.719 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 161166  
ATOM 2758d H2 TIP3W4684 45.582 -33.017 40.074 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 161167  
ATOM 2758e OH2 TIP3W4685 -33.903 35.556 44.843 0.00 0.00 WT8  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 27590  
Duplicate atom serial number found: 27591  
Duplicate atom serial number found: 27592  
Duplicate atom serial number found: 27593  
Duplicate atom serial number found: 27594  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 161179  
ATOM 2759a OH2 TIP3W4689 19.648 50.868 53.246 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 161180  
ATOM 2759b H1 TIP3W4689 18.804 50.755 53.683 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 161181  
ATOM 2759c H2 TIP3W4689 19.783 50.049 52.769 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 161182  
ATOM 2759d OH2 TIP3W4690 -50.149 -19.374 -59.814 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 161183  
ATOM 2759e H1 TIP3W4690 -49.653 -19.373 -60.633 0.00 0.00 WT8  
  
97 messages similar to the above omitted  
Duplicate atom serial number found: 27600  
Duplicate atom serial number found: 27601  
Duplicate atom serial number found: 27602  
Duplicate atom serial number found: 27603  
Duplicate atom serial number found: 27604  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 161291  
ATOM 2760a H1 TIP3W4742 -36.438 -34.809 30.043 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 161292  
ATOM 2760b H2 TIP3W4742 -34.946 -34.857 29.789 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 161293  
ATOM 2760c OH2 TIP3W4743 -22.206 32.346 6.899 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 161294  
ATOM 2760d H1 TIP3W4743 -22.661 31.830 7.564 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 161295  
ATOM 2760e H2 TIP3W4743 -21.765 31.697 6.351 0.00 0.00 WT8  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 27610  
Duplicate atom serial number found: 27611  
Duplicate atom serial number found: 27612  
Duplicate atom serial number found: 27613  
Duplicate atom serial number found: 27614  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 161307  
ATOM 2761a H2 TIP3W4753 3.714 43.385 5.571 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 161308  
ATOM 2761b OH2 TIP3W4754 4.738 48.501 21.192 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 161309  
ATOM 2761c H1 TIP3W4754 3.836 48.235 21.011 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 161310  
ATOM 2761d H2 TIP3W4754 4.722 48.794 22.104 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 161311  
ATOM 2761e OH2 TIP3W4755 60.559 -30.916 2.888 0.00 0.00 WT8  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 27620  
Duplicate atom serial number found: 27621  
Duplicate atom serial number found: 27622  
Duplicate atom serial number found: 27623  
Duplicate atom serial number found: 27624  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 161323  
ATOM 2762a OH2 TIP3W4760 44.478 -33.308 -41.216 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 161324  
ATOM 2762b H1 TIP3W4760 43.522 -33.272 -41.237 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 161325  
ATOM 2762c H2 TIP3W4760 44.684 -34.242 -41.240 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 161326  
ATOM 2762d OH2 TIP3W4761 9.604 42.767 -23.411 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 161327  
ATOM 2762e H1 TIP3W4761 10.453 43.196 -23.305 0.00 0.00 WT8  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 27630  
Duplicate atom serial number found: 27631  
Duplicate atom serial number found: 27632  
Duplicate atom serial number found: 27633  
Duplicate atom serial number found: 27634  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 161339  
ATOM 2763a H1 TIP3W4773 -26.241 16.702 46.232 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 161340  
ATOM 2763b H2 TIP3W4773 -26.198 15.631 45.163 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 161341  
ATOM 2763c OH2 TIP3W4774 -7.003 -39.152 26.448 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 161342  
ATOM 2763d H1 TIP3W4774 -7.592 -38.445 26.711 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 161343  
ATOM 2763e H2 TIP3W4774 -6.924 -39.701 27.229 0.00 0.00 WT8  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 27640  
Duplicate atom serial number found: 27641  
Duplicate atom serial number found: 27642  
Duplicate atom serial number found: 27643  
Duplicate atom serial number found: 27644  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 161355  
ATOM 2764a H2 TIP3W4779 -46.228 -57.224 8.157 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 161356  
ATOM 2764b OH2 TIP3W4780 11.307 -24.931 -50.805 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 161357  
ATOM 2764c H1 TIP3W4780 11.355 -24.682 -51.728 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 161358  
ATOM 2764d H2 TIP3W4780 11.955 -25.629 -50.710 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 161359  
ATOM 2764e OH2 TIP3W4782 -22.119 -57.873 15.832 0.00 0.00 WT8  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 27650  
Duplicate atom serial number found: 27651  
Duplicate atom serial number found: 27652  
Duplicate atom serial number found: 27653  
Duplicate atom serial number found: 27654  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 161371  
ATOM 2765a OH2 TIP3W4790 -45.840 40.044 5.907 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 161372  
ATOM 2765b H1 TIP3W4790 -45.145 39.600 6.392 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 161373  
ATOM 2765c H2 TIP3W4790 -46.536 39.392 5.833 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 161374  
ATOM 2765d OH2 TIP3W4791 -9.093 43.640 8.108 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 161375  
ATOM 2765e H1 TIP3W4791 -9.355 42.730 7.973 0.00 0.00 WT8  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 27660  
Duplicate atom serial number found: 27661  
Duplicate atom serial number found: 27662  
Duplicate atom serial number found: 27663  
Duplicate atom serial number found: 27664  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 161387  
ATOM 2766a H1 TIP3W4799 -35.479 -8.834 51.143 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 161388  
ATOM 2766b H2 TIP3W4799 -35.458 -8.162 52.500 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 161389  
ATOM 2766c OH2 TIP3W4800 -33.690 47.136 43.238 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 161390  
ATOM 2766d H1 TIP3W4800 -33.355 46.301 43.566 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 161391  
ATOM 2766e H2 TIP3W4800 -33.661 47.048 42.285 0.00 0.00 WT8  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 27670  
Duplicate atom serial number found: 27671  
Duplicate atom serial number found: 27672  
Duplicate atom serial number found: 27673  
Duplicate atom serial number found: 27674  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 161403  
ATOM 2767a H2 TIP3W4808 16.891 46.909 -5.199 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 161404  
ATOM 2767b OH2 TIP3W4813 38.186 -58.186 3.103 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 161405  
ATOM 2767c H1 TIP3W4813 38.751 -57.990 2.356 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 161406  
ATOM 2767d H2 TIP3W4813 38.617 -57.766 3.847 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 161407  
ATOM 2767e OH2 TIP3W4814 21.228 15.445 -6.703 0.00 0.00 WT8  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 27680  
Duplicate atom serial number found: 27681  
Duplicate atom serial number found: 27682  
Duplicate atom serial number found: 27683  
Duplicate atom serial number found: 27684  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 161419  
ATOM 2768a OH2 TIP3W4818 50.496 -1.960 -32.073 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 161420  
ATOM 2768b H1 TIP3W4818 51.044 -2.540 -31.544 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 161421  
ATOM 2768c H2 TIP3W4818 51.108 -1.325 -32.444 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 161422  
ATOM 2768d OH2 TIP3W4820 42.575 5.921 44.308 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 161423  
ATOM 2768e H1 TIP3W4820 42.696 5.997 45.254 0.00 0.00 WT8  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 27690  
Duplicate atom serial number found: 27691  
Duplicate atom serial number found: 27692  
Duplicate atom serial number found: 27693  
Duplicate atom serial number found: 27694  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 161435  
ATOM 2769a H1 TIP3W4829 56.819 16.035 14.643 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 161436  
ATOM 2769b H2 TIP3W4829 55.716 16.933 14.125 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 161437  
ATOM 2769c OH2 TIP3W4834 -54.829 53.120 -28.918 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 161438  
ATOM 2769d H1 TIP3W4834 -54.774 53.905 -29.462 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 161439  
ATOM 2769e H2 TIP3W4834 -54.120 53.218 -28.283 0.00 0.00 WT8  
  
97 messages similar to the above omitted  
Duplicate atom serial number found: 27700  
Duplicate atom serial number found: 27701  
Duplicate atom serial number found: 27702  
Duplicate atom serial number found: 27703  
Duplicate atom serial number found: 27704  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 161547  
ATOM 2770a H2 TIP3W4900 -34.258 20.507 54.715 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 161548  
ATOM 2770b OH2 TIP3W4901 1.212 22.509 46.957 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 161549  
ATOM 2770c H1 TIP3W4901 2.016 22.780 46.515 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 161550  
ATOM 2770d H2 TIP3W4901 1.395 21.622 47.266 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 161551  
ATOM 2770e OH2 TIP3W4902 -25.487 -51.398 -42.538 0.00 0.00 WT8  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 27710  
Duplicate atom serial number found: 27711  
Duplicate atom serial number found: 27712  
Duplicate atom serial number found: 27713  
Duplicate atom serial number found: 27714  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 161563  
ATOM 2771a OH2 TIP3W4908 24.015 57.109 -24.450 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 161564  
ATOM 2771b H1 TIP3W4908 23.276 57.625 -24.128 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 161565  
ATOM 2771c H2 TIP3W4908 23.753 56.837 -25.330 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 161566  
ATOM 2771d OH2 TIP3W4910 46.648 18.761 -16.561 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 161567  
ATOM 2771e H1 TIP3W4910 46.066 19.431 -16.917 0.00 0.00 WT8  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 27720  
Duplicate atom serial number found: 27721  
Duplicate atom serial number found: 27722  
Duplicate atom serial number found: 27723  
Duplicate atom serial number found: 27724  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 161579  
ATOM 2772a H1 TIP3W4916 35.505 -14.961 -10.868 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 161580  
ATOM 2772b H2 TIP3W4916 36.881 -15.247 -10.306 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 161581  
ATOM 2772c OH2 TIP3W4920 -38.643 23.500 11.457 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 161582  
ATOM 2772d H1 TIP3W4920 -39.477 23.074 11.260 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 161583  
ATOM 2772e H2 TIP3W4920 -38.782 23.918 12.307 0.00 0.00 WT8  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 27730  
Duplicate atom serial number found: 27731  
Duplicate atom serial number found: 27732  
Duplicate atom serial number found: 27733  
Duplicate atom serial number found: 27734  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 161595  
ATOM 2773a H2 TIP3W4927 43.877 -49.010 -42.382 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 161596  
ATOM 2773b OH2 TIP3W4931 12.553 50.947 -22.838 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 161597  
ATOM 2773c H1 TIP3W4931 12.234 51.796 -23.144 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 161598  
ATOM 2773d H2 TIP3W4931 12.429 50.361 -23.585 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 161599  
ATOM 2773e OH2 TIP3W4932 -50.578 -23.828 40.987 0.00 0.00 WT8  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 27740  
Duplicate atom serial number found: 27741  
Duplicate atom serial number found: 27742  
Duplicate atom serial number found: 27743  
Duplicate atom serial number found: 27744  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 161611  
ATOM 2774a OH2 TIP3W4936 -58.941 -36.480 59.886 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 161612  
ATOM 2774b H1 TIP3W4936 -58.458 -37.272 59.649 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 161613  
ATOM 2774c H2 TIP3W4936 -58.675 -35.833 59.232 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 161614  
ATOM 2774d OH2 TIP3W4937 14.943 -31.681 23.364 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 161615  
ATOM 2774e H1 TIP3W4937 14.100 -31.388 23.020 0.00 0.00 WT8  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 27750  
Duplicate atom serial number found: 27751  
Duplicate atom serial number found: 27752  
Duplicate atom serial number found: 27753  
Duplicate atom serial number found: 27754  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 161627  
ATOM 2775a H1 TIP3W4942 50.787 -24.557 -5.870 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 161628  
ATOM 2775b H2 TIP3W4942 52.001 -24.180 -5.048 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 161629  
ATOM 2775c OH2 TIP3W4944 15.323 23.979 -4.505 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 161630  
ATOM 2775d H1 TIP3W4944 14.736 23.448 -5.042 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 161631  
ATOM 2775e H2 TIP3W4944 16.045 24.205 -5.090 0.00 0.00 WT8  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 27760  
Duplicate atom serial number found: 27761  
Duplicate atom serial number found: 27762  
Duplicate atom serial number found: 27763  
Duplicate atom serial number found: 27764  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 161643  
ATOM 2776a H2 TIP3W4949 -22.537 -51.318 50.455 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 161644  
ATOM 2776b OH2 TIP3W4950 -42.032 57.935 -38.361 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 161645  
ATOM 2776c H1 TIP3W4950 -42.336 57.808 -39.259 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 161646  
ATOM 2776d H2 TIP3W4950 -42.017 58.885 -38.245 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 161647  
ATOM 2776e OH2 TIP3W4951 34.029 -60.230 -16.084 0.00 0.00 WT8  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 27770  
Duplicate atom serial number found: 27771  
Duplicate atom serial number found: 27772  
Duplicate atom serial number found: 27773  
Duplicate atom serial number found: 27774  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 161659  
ATOM 2777a OH2 TIP3W4956 -25.685 -40.024 45.284 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 161660  
ATOM 2777b H1 TIP3W4956 -25.619 -39.270 45.870 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 161661  
ATOM 2777c H2 TIP3W4956 -26.526 -39.910 44.841 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 161662  
ATOM 2777d OH2 TIP3W4957 58.456 60.346 -25.899 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 161663  
ATOM 2777e H1 TIP3W4957 59.027 60.503 -25.147 0.00 0.00 WT8  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 27780  
Duplicate atom serial number found: 27781  
Duplicate atom serial number found: 27782  
Duplicate atom serial number found: 27783  
Duplicate atom serial number found: 27784  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 161675  
ATOM 2778a H1 TIP3W4964 28.963 -20.680 41.063 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 161676  
ATOM 2778b H2 TIP3W4964 29.245 -20.434 42.529 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 161677  
ATOM 2778c OH2 TIP3W4965 -1.935 -22.892 -55.845 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 161678  
ATOM 2778d H1 TIP3W4965 -1.551 -23.481 -56.494 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 161679  
ATOM 2778e H2 TIP3W4965 -2.473 -22.288 -56.356 0.00 0.00 WT8  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 27790  
Duplicate atom serial number found: 27791  
Duplicate atom serial number found: 27792  
Duplicate atom serial number found: 27793  
Duplicate atom serial number found: 27794  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 161691  
ATOM 2779a H2 TIP3W4969 -55.033 -55.891 -58.848 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 161692  
ATOM 2779b OH2 TIP3W4970 -23.415 49.918 29.304 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 161693  
ATOM 2779c H1 TIP3W4970 -23.381 50.871 29.225 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 161694  
ATOM 2779d H2 TIP3W4970 -22.720 49.703 29.926 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 161695  
ATOM 2779e OH2 TIP3W4971 61.125 2.696 -14.211 0.00 0.00 WT8  
  
97 messages similar to the above omitted  
Duplicate atom serial number found: 27800  
Duplicate atom serial number found: 27801  
Duplicate atom serial number found: 27802  
Duplicate atom serial number found: 27803  
Duplicate atom serial number found: 27804  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 161803  
ATOM 2780a OH2 TIP3W5014 6.379 39.582 47.299 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 161804  
ATOM 2780b H1 TIP3W5014 6.420 40.006 46.441 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 161805  
ATOM 2780c H2 TIP3W5014 5.537 39.127 47.302 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 161806  
ATOM 2780d OH2 TIP3W5016 -18.871 -7.541 -59.392 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 161807  
ATOM 2780e H1 TIP3W5016 -18.970 -8.198 -60.081 0.00 0.00 WT8  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 27810  
Duplicate atom serial number found: 27811  
Duplicate atom serial number found: 27812  
Duplicate atom serial number found: 27813  
Duplicate atom serial number found: 27814  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 161819  
ATOM 2781a H1 TIP3W5023 4.807 52.007 -24.657 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 161820  
ATOM 2781b H2 TIP3W5023 4.610 52.138 -23.161 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 161821  
ATOM 2781c OH2 TIP3W5024 -7.316 13.978 -27.248 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 161822  
ATOM 2781d H1 TIP3W5024 -6.604 13.814 -27.867 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 161823  
ATOM 2781e H2 TIP3W5024 -7.479 13.128 -26.840 0.00 0.00 WT8  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 27820  
Duplicate atom serial number found: 27821  
Duplicate atom serial number found: 27822  
Duplicate atom serial number found: 27823  
Duplicate atom serial number found: 27824  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 161835  
ATOM 2782a H2 TIP3W5028 -32.222 10.399 -48.995 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 161836  
ATOM 2782b OH2 TIP3W5029 -11.172 17.919 2.906 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 161837  
ATOM 2782c H1 TIP3W5029 -10.264 17.646 3.038 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 161838  
ATOM 2782d H2 TIP3W5029 -11.299 18.636 3.528 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 161839  
ATOM 2782e OH2 TIP3W5030 -26.471 5.332 41.195 0.00 0.00 WT8  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 27830  
Duplicate atom serial number found: 27831  
Duplicate atom serial number found: 27832  
Duplicate atom serial number found: 27833  
Duplicate atom serial number found: 27834  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 161851  
ATOM 2783a OH2 TIP3W5036 46.286 -0.217 -42.472 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 161852  
ATOM 2783b H1 TIP3W5036 46.783 0.556 -42.207 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 161853  
ATOM 2783c H2 TIP3W5036 46.202 -0.134 -43.422 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 161854  
ATOM 2783d OH2 TIP3W5040 -43.259 25.899 20.807 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 161855  
ATOM 2783e H1 TIP3W5040 -43.121 25.365 20.025 0.00 0.00 WT8  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 27840  
Duplicate atom serial number found: 27841  
Duplicate atom serial number found: 27842  
Duplicate atom serial number found: 27843  
Duplicate atom serial number found: 27844  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 161867  
ATOM 2784a H1 TIP3W5045 -46.632 -17.542 -18.253 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 161868  
ATOM 2784b H2 TIP3W5045 -47.548 -16.502 -17.645 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 161869  
ATOM 2784c OH2 TIP3W5046 55.877 -8.626 35.677 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 161870  
ATOM 2784d H1 TIP3W5046 55.376 -9.389 35.965 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 161871  
ATOM 2784e H2 TIP3W5046 56.238 -8.257 36.483 0.00 0.00 WT8  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 27850  
Duplicate atom serial number found: 27851  
Duplicate atom serial number found: 27852  
Duplicate atom serial number found: 27853  
Duplicate atom serial number found: 27854  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 161883  
ATOM 2785a H2 TIP3W5052 -5.456 -2.557 -26.245 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 161884  
ATOM 2785b OH2 TIP3W5053 9.181 -54.354 -57.939 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 161885  
ATOM 2785c H1 TIP3W5053 9.631 -55.174 -58.141 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 161886  
ATOM 2785d H2 TIP3W5053 9.194 -53.864 -58.762 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 161887  
ATOM 2785e OH2 TIP3W5054 -18.409 -32.817 59.519 0.00 0.00 WT8  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 27860  
Duplicate atom serial number found: 27861  
Duplicate atom serial number found: 27862  
Duplicate atom serial number found: 27863  
Duplicate atom serial number found: 27864  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 161899  
ATOM 2786a OH2 TIP3W5059 60.219 -0.184 58.159 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 161900  
ATOM 2786b H1 TIP3W5059 59.782 -0.952 58.527 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 161901  
ATOM 2786c H2 TIP3W5059 60.101 -0.271 57.213 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 161902  
ATOM 2786d OH2 TIP3W5060 22.180 -54.163 37.539 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 161903  
ATOM 2786e H1 TIP3W5060 21.425 -53.594 37.393 0.00 0.00 WT8  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 27870  
Duplicate atom serial number found: 27871  
Duplicate atom serial number found: 27872  
Duplicate atom serial number found: 27873  
Duplicate atom serial number found: 27874  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 161915  
ATOM 2787a H1 TIP3W5064 9.738 34.779 -18.365 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 161916  
ATOM 2787b H2 TIP3W5064 9.507 35.802 -19.456 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 161917  
ATOM 2787c OH2 TIP3W5065 60.067 -9.464 -20.939 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 161918  
ATOM 2787d H1 TIP3W5065 60.388 -10.349 -20.767 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 161919  
ATOM 2787e H2 TIP3W5065 60.859 -8.936 -21.037 0.00 0.00 WT8  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 27880  
Duplicate atom serial number found: 27881  
Duplicate atom serial number found: 27882  
Duplicate atom serial number found: 27883  
Duplicate atom serial number found: 27884  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 161931  
ATOM 2788a H2 TIP3W5069 48.518 4.722 27.076 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 161932  
ATOM 2788b OH2 TIP3W5070 17.755 -20.640 47.742 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 161933  
ATOM 2788c H1 TIP3W5070 18.453 -20.286 47.191 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 161934  
ATOM 2788d H2 TIP3W5070 18.167 -20.769 48.597 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 161935  
ATOM 2788e OH2 TIP3W5071 -18.038 -15.189 -57.983 0.00 0.00 WT8  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 27890  
Duplicate atom serial number found: 27891  
Duplicate atom serial number found: 27892  
Duplicate atom serial number found: 27893  
Duplicate atom serial number found: 27894  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 161947  
ATOM 2789a OH2 TIP3W5076 27.000 4.424 19.080 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 161948  
ATOM 2789b H1 TIP3W5076 27.292 5.063 19.730 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 161949  
ATOM 2789c H2 TIP3W5076 26.232 4.827 18.675 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 161950  
ATOM 2789d OH2 TIP3W5079 -20.245 -27.243 -26.146 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 161951  
ATOM 2789e H1 TIP3W5079 -20.459 -26.314 -26.052 0.00 0.00 WT8  
  
97 messages similar to the above omitted  
Duplicate atom serial number found: 27900  
Duplicate atom serial number found: 27901  
Duplicate atom serial number found: 27902  
Duplicate atom serial number found: 27903  
Duplicate atom serial number found: 27904  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 162059  
ATOM 2790a H1 TIP3W5128 -26.755 4.074 12.433 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 162060  
ATOM 2790b H2 TIP3W5128 -26.558 3.231 11.191 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 162061  
ATOM 2790c OH2 TIP3W5129 -48.188 26.308 44.212 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 162062  
ATOM 2790d H1 TIP3W5129 -48.450 25.723 44.923 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 162063  
ATOM 2790e H2 TIP3W5129 -48.337 27.188 44.558 0.00 0.00 WT8  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 27910  
Duplicate atom serial number found: 27911  
Duplicate atom serial number found: 27912  
Duplicate atom serial number found: 27913  
Duplicate atom serial number found: 27914  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 162075  
ATOM 2791a H2 TIP3W5133 53.138 54.466 3.709 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 162076  
ATOM 2791b OH2 TIP3W5134 -29.782 42.571 31.259 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 162077  
ATOM 2791c H1 TIP3W5134 -29.318 43.114 31.897 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 162078  
ATOM 2791d H2 TIP3W5134 -30.251 41.927 31.790 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 162079  
ATOM 2791e OH2 TIP3W5135 -24.884 -5.774 49.994 0.00 0.00 WT8  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 27920  
Duplicate atom serial number found: 27921  
Duplicate atom serial number found: 27922  
Duplicate atom serial number found: 27923  
Duplicate atom serial number found: 27924  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 162091  
ATOM 2792a OH2 TIP3W5139 32.798 -6.342 -33.742 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 162092  
ATOM 2792b H1 TIP3W5139 33.391 -5.742 -34.194 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 162093  
ATOM 2792c H2 TIP3W5139 32.873 -7.164 -34.227 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 162094  
ATOM 2792d OH2 TIP3W5140 12.220 -28.996 26.518 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 162095  
ATOM 2792e H1 TIP3W5140 12.342 -28.157 26.963 0.00 0.00 WT8  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 27930  
Duplicate atom serial number found: 27931  
Duplicate atom serial number found: 27932  
Duplicate atom serial number found: 27933  
Duplicate atom serial number found: 27934  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 162107  
ATOM 2793a H1 TIP3W5149 50.434 53.912 -54.647 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 162108  
ATOM 2793b H2 TIP3W5149 51.540 52.911 -54.387 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 162109  
ATOM 2793c OH2 TIP3W5150 -37.808 -33.570 -19.391 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 162110  
ATOM 2793d H1 TIP3W5150 -38.409 -33.132 -18.788 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 162111  
ATOM 2793e H2 TIP3W5150 -36.993 -33.071 -19.321 0.00 0.00 WT8  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 27940  
Duplicate atom serial number found: 27941  
Duplicate atom serial number found: 27942  
Duplicate atom serial number found: 27943  
Duplicate atom serial number found: 27944  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 162123  
ATOM 2794a H2 TIP3W5154 -42.578 1.711 -33.713 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 162124  
ATOM 2794b OH2 TIP3W5155 58.364 -26.179 34.713 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 162125  
ATOM 2794c H1 TIP3W5155 57.762 -26.343 33.987 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 162126  
ATOM 2794d H2 TIP3W5155 57.934 -26.569 35.474 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 162127  
ATOM 2794e OH2 TIP3W5157 -6.659 45.341 13.777 0.00 0.00 WT8  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 27950  
Duplicate atom serial number found: 27951  
Duplicate atom serial number found: 27952  
Duplicate atom serial number found: 27953  
Duplicate atom serial number found: 27954  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 162139  
ATOM 2795a OH2 TIP3W5161 -57.011 34.438 -50.873 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 162140  
ATOM 2795b H1 TIP3W5161 -56.229 34.385 -51.423 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 162141  
ATOM 2795c H2 TIP3W5161 -56.796 33.915 -50.100 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 162142  
ATOM 2795d OH2 TIP3W5162 7.323 3.036 -50.142 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 162143  
ATOM 2795e H1 TIP3W5162 7.559 2.731 -51.018 0.00 0.00 WT8  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 27960  
Duplicate atom serial number found: 27961  
Duplicate atom serial number found: 27962  
Duplicate atom serial number found: 27963  
Duplicate atom serial number found: 27964  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 162155  
ATOM 2796a H1 TIP3W5171 -18.997 17.752 39.534 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 162156  
ATOM 2796b H2 TIP3W5171 -20.158 17.916 40.492 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 162157  
ATOM 2796c OH2 TIP3W5172 -1.016 -43.177 -28.245 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 162158  
ATOM 2796d H1 TIP3W5172 -0.469 -42.812 -27.550 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 162159  
ATOM 2796e H2 TIP3W5172 -1.539 -43.851 -27.810 0.00 0.00 WT8  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 27970  
Duplicate atom serial number found: 27971  
Duplicate atom serial number found: 27972  
Duplicate atom serial number found: 27973  
Duplicate atom serial number found: 27974  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 162171  
ATOM 2797a H2 TIP3W5177 15.191 30.740 13.716 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 162172  
ATOM 2797b OH2 TIP3W5180 57.847 -5.680 28.897 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 162173  
ATOM 2797c H1 TIP3W5180 57.043 -5.483 28.416 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 162174  
ATOM 2797d H2 TIP3W5180 57.597 -5.612 29.819 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 162175  
ATOM 2797e OH2 TIP3W5181 -44.780 -41.158 53.047 0.00 0.00 WT8  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 27980  
Duplicate atom serial number found: 27981  
Duplicate atom serial number found: 27982  
Duplicate atom serial number found: 27983  
Duplicate atom serial number found: 27984  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 162187  
ATOM 2798a OH2 TIP3W5185 32.793 9.807 38.590 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 162188  
ATOM 2798b H1 TIP3W5185 32.122 10.323 39.037 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 162189  
ATOM 2798c H2 TIP3W5185 33.315 9.428 39.297 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 162190  
ATOM 2798d OH2 TIP3W5186 -52.938 1.342 13.582 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 162191  
ATOM 2798e H1 TIP3W5186 -53.480 0.960 14.272 0.00 0.00 WT8  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 27990  
Duplicate atom serial number found: 27991  
Duplicate atom serial number found: 27992  
Duplicate atom serial number found: 27993  
Duplicate atom serial number found: 27994  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 162203  
ATOM 2799a H1 TIP3W5193 21.226 42.646 16.668 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 162204  
ATOM 2799b H2 TIP3W5193 19.928 43.375 16.941 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 162205  
ATOM 2799c OH2 TIP3W5195 -35.863 57.699 24.148 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 162206  
ATOM 2799d H1 TIP3W5195 -35.613 57.728 23.225 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 162207  
ATOM 2799e H2 TIP3W5195 -36.503 58.404 24.247 0.00 0.00 WT8  
  
1633 messages similar to the above omitted  
Duplicate atom serial number found: 28000  
Duplicate atom serial number found: 28001  
Duplicate atom serial number found: 28002  
Duplicate atom serial number found: 28003  
Duplicate atom serial number found: 28004  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 163851  
ATOM 2800a H2 TIP3W6081 32.260 55.550 -60.470 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 163852  
ATOM 2800b OH2 TIP3W6082 19.095 44.589 42.234 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 163853  
ATOM 2800c H1 TIP3W6082 19.576 44.337 41.445 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 163854  
ATOM 2800d H2 TIP3W6082 19.461 44.037 42.925 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 163855  
ATOM 2800e OH2 TIP3W6084 -3.856 -17.902 35.638 0.00 0.00 WT8  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 28010  
Duplicate atom serial number found: 28011  
Duplicate atom serial number found: 28012  
Duplicate atom serial number found: 28013  
Duplicate atom serial number found: 28014  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 163867  
ATOM 2801a OH2 TIP3W6092 -50.390 24.727 -23.348 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 163868  
ATOM 2801b H1 TIP3W6092 -51.273 24.948 -23.054 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 163869  
ATOM 2801c H2 TIP3W6092 -50.493 24.511 -24.275 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 163870  
ATOM 2801d OH2 TIP3W6095 48.864 52.957 -49.942 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 163871  
ATOM 2801e H1 TIP3W6095 49.449 53.051 -49.190 0.00 0.00 WT8  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 28020  
Duplicate atom serial number found: 28021  
Duplicate atom serial number found: 28022  
Duplicate atom serial number found: 28023  
Duplicate atom serial number found: 28024  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 163883  
ATOM 2802a H1 TIP3W6101 -19.406 -41.980 8.721 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 163884  
ATOM 2802b H2 TIP3W6101 -20.270 -42.057 7.480 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 163885  
ATOM 2802c OH2 TIP3W6102 39.692 59.962 -11.742 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 163886  
ATOM 2802d H1 TIP3W6102 40.424 59.363 -11.593 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 163887  
ATOM 2802e H2 TIP3W6102 39.552 59.940 -12.688 0.00 0.00 WT8  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 28030  
Duplicate atom serial number found: 28031  
Duplicate atom serial number found: 28032  
Duplicate atom serial number found: 28033  
Duplicate atom serial number found: 28034  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 163899  
ATOM 2803a H2 TIP3W6110 52.176 12.957 -17.903 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 163900  
ATOM 2803b OH2 TIP3W6114 -3.138 -7.398 21.693 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 163901  
ATOM 2803c H1 TIP3W6114 -2.650 -7.267 20.880 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 163902  
ATOM 2803d H2 TIP3W6114 -3.325 -8.336 21.713 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 163903  
ATOM 2803e OH2 TIP3W6116 54.007 23.841 -60.395 0.00 0.00 WT8  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 28040  
Duplicate atom serial number found: 28041  
Duplicate atom serial number found: 28042  
Duplicate atom serial number found: 28043  
Duplicate atom serial number found: 28044  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 163915  
ATOM 2804a OH2 TIP3W6123 55.698 -13.745 22.102 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 163916  
ATOM 2804b H1 TIP3W6123 55.143 -14.390 21.664 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 163917  
ATOM 2804c H2 TIP3W6123 55.465 -12.911 21.695 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 163918  
ATOM 2804d OH2 TIP3W6124 30.767 1.241 -42.229 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 163919  
ATOM 2804e H1 TIP3W6124 30.941 1.938 -42.862 0.00 0.00 WT8  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 28050  
Duplicate atom serial number found: 28051  
Duplicate atom serial number found: 28052  
Duplicate atom serial number found: 28053  
Duplicate atom serial number found: 28054  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 163931  
ATOM 2805a H1 TIP3W6128 24.024 48.699 -40.644 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 163932  
ATOM 2805b H2 TIP3W6128 23.521 47.563 -39.779 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 163933  
ATOM 2805c OH2 TIP3W6129 -14.351 34.629 -51.589 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 163934  
ATOM 2805d H1 TIP3W6129 -14.836 34.647 -50.764 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 163935  
ATOM 2805e H2 TIP3W6129 -15.022 34.726 -52.264 0.00 0.00 WT8  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 28060  
Duplicate atom serial number found: 28061  
Duplicate atom serial number found: 28062  
Duplicate atom serial number found: 28063  
Duplicate atom serial number found: 28064  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 163947  
ATOM 2806a H2 TIP3W6136 41.197 -39.413 -7.961 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 163948  
ATOM 2806b OH2 TIP3W6138 26.152 0.615 38.977 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 163949  
ATOM 2806c H1 TIP3W6138 25.679 0.412 38.170 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 163950  
ATOM 2806d H2 TIP3W6138 25.650 0.177 39.665 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 163951  
ATOM 2806e OH2 TIP3W6139 42.557 17.910 28.906 0.00 0.00 WT8  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 28070  
Duplicate atom serial number found: 28071  
Duplicate atom serial number found: 28072  
Duplicate atom serial number found: 28073  
Duplicate atom serial number found: 28074  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 163963  
ATOM 2807a OH2 TIP3W6161 -10.726 25.466 -34.489 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 163964  
ATOM 2807b H1 TIP3W6161 -11.137 25.447 -33.625 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 163965  
ATOM 2807c H2 TIP3W6161 -11.145 24.753 -34.971 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 163966  
ATOM 2807d OH2 TIP3W6162 23.607 40.634 41.198 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 163967  
ATOM 2807e H1 TIP3W6162 23.912 41.500 41.465 0.00 0.00 WT8  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 28080  
Duplicate atom serial number found: 28081  
Duplicate atom serial number found: 28082  
Duplicate atom serial number found: 28083  
Duplicate atom serial number found: 28084  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 163979  
ATOM 2808a H1 TIP3W6174 22.645 -24.463 9.694 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 163980  
ATOM 2808b H2 TIP3W6174 22.587 -24.690 8.198 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 163981  
ATOM 2808c OH2 TIP3W6176 -54.820 37.357 -30.185 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 163982  
ATOM 2808d H1 TIP3W6176 -53.976 37.784 -30.330 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 163983  
ATOM 2808e H2 TIP3W6176 -55.468 38.014 -30.442 0.00 0.00 WT8  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 28090  
Duplicate atom serial number found: 28091  
Duplicate atom serial number found: 28092  
Duplicate atom serial number found: 28093  
Duplicate atom serial number found: 28094  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 163995  
ATOM 2809a H2 TIP3W6180 -52.208 -18.675 15.283 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 163996  
ATOM 2809b OH2 TIP3W6183 9.300 -25.978 50.343 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 163997  
ATOM 2809c H1 TIP3W6183 9.593 -26.852 50.601 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 163998  
ATOM 2809d H2 TIP3W6183 8.524 -25.817 50.880 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 163999  
ATOM 2809e OH2 TIP3W6184 12.851 48.722 41.658 0.00 0.00 WT8  
  
97 messages similar to the above omitted  
Duplicate atom serial number found: 28100  
Duplicate atom serial number found: 28101  
Duplicate atom serial number found: 28102  
Duplicate atom serial number found: 28103  
Duplicate atom serial number found: 28104  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 164107  
ATOM 2810a OH2 TIP3W6247 -25.661 50.750 -27.917 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 164108  
ATOM 2810b H1 TIP3W6247 -25.685 50.700 -28.873 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 164109  
ATOM 2810c H2 TIP3W6247 -26.372 50.179 -27.628 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 164110  
ATOM 2810d OH2 TIP3W6248 -16.125 7.372 -45.880 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 164111  
ATOM 2810e H1 TIP3W6248 -16.281 7.740 -46.750 0.00 0.00 WT8  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 28110  
Duplicate atom serial number found: 28111  
Duplicate atom serial number found: 28112  
Duplicate atom serial number found: 28113  
Duplicate atom serial number found: 28114  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 164123  
ATOM 2811a H1 TIP3W6252 39.268 -31.868 -15.915 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 164124  
ATOM 2811b H2 TIP3W6252 38.007 -31.923 -16.752 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 164125  
ATOM 2811c OH2 TIP3W6253 -6.494 9.179 -36.332 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 164126  
ATOM 2811d H1 TIP3W6253 -6.913 8.341 -36.528 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 164127  
ATOM 2811e H2 TIP3W6253 -5.564 9.026 -36.495 0.00 0.00 WT8  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 28120  
Duplicate atom serial number found: 28121  
Duplicate atom serial number found: 28122  
Duplicate atom serial number found: 28123  
Duplicate atom serial number found: 28124  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 164139  
ATOM 2812a H2 TIP3W6258 2.446 41.510 27.059 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 164140  
ATOM 2812b OH2 TIP3W6259 -53.940 -1.694 -48.652 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 164141  
ATOM 2812c H1 TIP3W6259 -53.739 -2.630 -48.652 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 164142  
ATOM 2812d H2 TIP3W6259 -54.345 -1.535 -49.505 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 164143  
ATOM 2812e OH2 TIP3W6262 -17.919 -1.532 -44.081 0.00 0.00 WT8  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 28130  
Duplicate atom serial number found: 28131  
Duplicate atom serial number found: 28132  
Duplicate atom serial number found: 28133  
Duplicate atom serial number found: 28134  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 164155  
ATOM 2813a OH2 TIP3W6266 -21.832 18.333 24.016 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 164156  
ATOM 2813b H1 TIP3W6266 -21.785 17.379 24.087 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 164157  
ATOM 2813c H2 TIP3W6266 -21.742 18.508 23.079 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 164158  
ATOM 2813d OH2 TIP3W6267 0.438 9.630 -26.207 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 164159  
ATOM 2813e H1 TIP3W6267 0.028 10.424 -26.551 0.00 0.00 WT8  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 28140  
Duplicate atom serial number found: 28141  
Duplicate atom serial number found: 28142  
Duplicate atom serial number found: 28143  
Duplicate atom serial number found: 28144  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 164171  
ATOM 2814a H1 TIP3W6273 50.385 -22.997 -31.556 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 164172  
ATOM 2814b H2 TIP3W6273 51.656 -23.709 -31.968 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 164173  
ATOM 2814c OH2 TIP3W6277 14.243 -33.732 -17.454 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 164174  
ATOM 2814d H1 TIP3W6277 14.835 -34.375 -17.065 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 164175  
ATOM 2814e H2 TIP3W6277 14.434 -33.766 -18.392 0.00 0.00 WT8  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 28150  
Duplicate atom serial number found: 28151  
Duplicate atom serial number found: 28152  
Duplicate atom serial number found: 28153  
Duplicate atom serial number found: 28154  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 164187  
ATOM 2815a H2 TIP3W6285 12.964 -31.825 29.944 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 164188  
ATOM 2815b OH2 TIP3W6286 24.734 5.055 37.897 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 164189  
ATOM 2815c H1 TIP3W6286 24.991 4.788 37.014 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 164190  
ATOM 2815d H2 TIP3W6286 24.759 6.011 37.876 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 164191  
ATOM 2815e OH2 TIP3W6287 6.189 -30.853 -8.873 0.00 0.00 WT8  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 28160  
Duplicate atom serial number found: 28161  
Duplicate atom serial number found: 28162  
Duplicate atom serial number found: 28163  
Duplicate atom serial number found: 28164  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 164203  
ATOM 2816a OH2 TIP3W6291 -43.349 37.863 13.600 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 164204  
ATOM 2816b H1 TIP3W6291 -43.655 37.594 12.734 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 164205  
ATOM 2816c H2 TIP3W6291 -43.312 37.050 14.105 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 164206  
ATOM 2816d OH2 TIP3W6292 28.456 41.223 33.936 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 164207  
ATOM 2816e H1 TIP3W6292 28.702 40.869 34.790 0.00 0.00 WT8  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 28170  
Duplicate atom serial number found: 28171  
Duplicate atom serial number found: 28172  
Duplicate atom serial number found: 28173  
Duplicate atom serial number found: 28174  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 164219  
ATOM 2817a H1 TIP3W6297 -6.339 -1.078 24.372 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 164220  
ATOM 2817b H2 TIP3W6297 -5.655 0.136 24.966 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 164221  
ATOM 2817c OH2 TIP3W6300 -24.162 48.071 27.318 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 164222  
ATOM 2817d H1 TIP3W6300 -23.837 48.403 28.155 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 164223  
ATOM 2817e H2 TIP3W6300 -24.683 48.791 26.961 0.00 0.00 WT8  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 28180  
Duplicate atom serial number found: 28181  
Duplicate atom serial number found: 28182  
Duplicate atom serial number found: 28183  
Duplicate atom serial number found: 28184  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 164235  
ATOM 2818a H2 TIP3W6305 20.791 -44.163 -45.603 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 164236  
ATOM 2818b OH2 TIP3W6306 50.602 9.413 2.303 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 164237  
ATOM 2818c H1 TIP3W6306 49.669 9.231 2.194 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 164238  
ATOM 2818d H2 TIP3W6306 50.951 9.420 1.412 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 164239  
ATOM 2818e OH2 TIP3W6307 -55.934 10.485 -7.402 0.00 0.00 WT8  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 28190  
Duplicate atom serial number found: 28191  
Duplicate atom serial number found: 28192  
Duplicate atom serial number found: 28193  
Duplicate atom serial number found: 28194  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 164251  
ATOM 2819a OH2 TIP3W6311 47.418 24.303 16.681 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 164252  
ATOM 2819b H1 TIP3W6311 47.338 23.952 15.794 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 164253  
ATOM 2819c H2 TIP3W6311 48.361 24.380 16.825 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 164254  
ATOM 2819d OH2 TIP3W6312 39.851 21.263 -19.842 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 164255  
ATOM 2819e H1 TIP3W6312 39.659 22.198 -19.917 0.00 0.00 WT8  
  
97 messages similar to the above omitted  
Duplicate atom serial number found: 28200  
Duplicate atom serial number found: 28201  
Duplicate atom serial number found: 28202  
Duplicate atom serial number found: 28203  
Duplicate atom serial number found: 28204  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 164363  
ATOM 2820a H1 TIP3W6357 59.956 -55.656 -25.906 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 164364  
ATOM 2820b H2 TIP3W6357 61.305 -56.160 -25.441 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 164365  
ATOM 2820c OH2 TIP3W6358 37.765 11.137 16.300 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 164366  
ATOM 2820d H1 TIP3W6358 38.569 11.090 16.816 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 164367  
ATOM 2820e H2 TIP3W6358 37.395 11.995 16.511 0.00 0.00 WT8  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 28210  
Duplicate atom serial number found: 28211  
Duplicate atom serial number found: 28212  
Duplicate atom serial number found: 28213  
Duplicate atom serial number found: 28214  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 164379  
ATOM 2821a H2 TIP3W6364 27.050 -31.620 -10.952 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 164380  
ATOM 2821b OH2 TIP3W6366 -29.024 47.646 59.516 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 164381  
ATOM 2821c H1 TIP3W6366 -29.343 48.357 60.071 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 164382  
ATOM 2821d H2 TIP3W6366 -28.769 48.075 58.699 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 164383  
ATOM 2821e OH2 TIP3W6367 33.057 -17.673 38.294 0.00 0.00 WT8  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 28220  
Duplicate atom serial number found: 28221  
Duplicate atom serial number found: 28222  
Duplicate atom serial number found: 28223  
Duplicate atom serial number found: 28224  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 164395  
ATOM 2822a OH2 TIP3W6371 -51.509 -8.018 43.435 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 164396  
ATOM 2822b H1 TIP3W6371 -51.346 -7.663 42.561 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 164397  
ATOM 2822c H2 TIP3W6371 -51.770 -8.926 43.281 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 164398  
ATOM 2822d OH2 TIP3W6372 47.490 -7.759 -53.766 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 164399  
ATOM 2822e H1 TIP3W6372 47.625 -8.683 -53.555 0.00 0.00 WT8  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 28230  
Duplicate atom serial number found: 28231  
Duplicate atom serial number found: 28232  
Duplicate atom serial number found: 28233  
Duplicate atom serial number found: 28234  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 164411  
ATOM 2823a H1 TIP3W6376 45.721 44.329 14.000 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 164412  
ATOM 2823b H2 TIP3W6376 46.849 44.636 13.038 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 164413  
ATOM 2823c OH2 TIP3W6377 -20.628 -57.385 -55.225 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 164414  
ATOM 2823d H1 TIP3W6377 -21.023 -57.382 -54.353 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 164415  
ATOM 2823e H2 TIP3W6377 -21.371 -57.465 -55.824 0.00 0.00 WT8  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 28240  
Duplicate atom serial number found: 28241  
Duplicate atom serial number found: 28242  
Duplicate atom serial number found: 28243  
Duplicate atom serial number found: 28244  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 164427  
ATOM 2824a H2 TIP3W6384 5.233 29.169 -15.046 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 164428  
ATOM 2824b OH2 TIP3W6385 -47.204 -15.093 24.100 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 164429  
ATOM 2824c H1 TIP3W6385 -48.061 -15.507 23.992 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 164430  
ATOM 2824d H2 TIP3W6385 -46.575 -15.788 23.908 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 164431  
ATOM 2824e OH2 TIP3W6388 8.960 48.459 10.021 0.00 0.00 WT8  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 28250  
Duplicate atom serial number found: 28251  
Duplicate atom serial number found: 28252  
Duplicate atom serial number found: 28253  
Duplicate atom serial number found: 28254  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 164443  
ATOM 2825a OH2 TIP3W6392 -26.170 -19.317 40.862 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 164444  
ATOM 2825b H1 TIP3W6392 -26.854 -18.649 40.811 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 164445  
ATOM 2825c H2 TIP3W6392 -26.626 -20.141 40.689 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 164446  
ATOM 2825d OH2 TIP3W6393 29.410 -18.350 -51.894 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 164447  
ATOM 2825e H1 TIP3W6393 29.804 -19.075 -52.379 0.00 0.00 WT8  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 28260  
Duplicate atom serial number found: 28261  
Duplicate atom serial number found: 28262  
Duplicate atom serial number found: 28263  
Duplicate atom serial number found: 28264  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 164459  
ATOM 2826a H1 TIP3W6397 -15.117 -28.493 6.377 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 164460  
ATOM 2826b H2 TIP3W6397 -16.067 -27.356 6.064 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 164461  
ATOM 2826c OH2 TIP3W6398 -50.426 -32.367 15.601 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 164462  
ATOM 2826d H1 TIP3W6398 -50.300 -31.607 15.034 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 164463  
ATOM 2826e H2 TIP3W6398 -50.099 -32.086 16.456 0.00 0.00 WT8  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 28270  
Duplicate atom serial number found: 28271  
Duplicate atom serial number found: 28272  
Duplicate atom serial number found: 28273  
Duplicate atom serial number found: 28274  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 164475  
ATOM 2827a H2 TIP3W6403 -47.793 58.932 8.195 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 164476  
ATOM 2827b OH2 TIP3W6404 -31.198 -35.949 -31.256 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 164477  
ATOM 2827c H1 TIP3W6404 -30.786 -36.096 -30.405 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 164478  
ATOM 2827d H2 TIP3W6404 -31.973 -36.511 -31.249 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 164479  
ATOM 2827e OH2 TIP3W6407 -39.550 44.631 -0.729 0.00 0.00 WT8  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 28280  
Duplicate atom serial number found: 28281  
Duplicate atom serial number found: 28282  
Duplicate atom serial number found: 28283  
Duplicate atom serial number found: 28284  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 164491  
ATOM 2828a OH2 TIP3W6411 -15.877 10.088 59.509 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 164492  
ATOM 2828b H1 TIP3W6411 -16.280 9.524 60.169 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 164493  
ATOM 2828c H2 TIP3W6411 -15.578 10.854 59.998 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 164494  
ATOM 2828d OH2 TIP3W6412 -46.651 32.252 -27.119 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 164495  
ATOM 2828e H1 TIP3W6412 -45.936 31.837 -26.638 0.00 0.00 WT8  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 28290  
Duplicate atom serial number found: 28291  
Duplicate atom serial number found: 28292  
Duplicate atom serial number found: 28293  
Duplicate atom serial number found: 28294  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 164507  
ATOM 2829a H1 TIP3W6416 -12.335 -43.866 -1.396 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 164508  
ATOM 2829b H2 TIP3W6416 -10.882 -43.569 -1.696 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 164509  
ATOM 2829c OH2 TIP3W6417 -15.849 7.568 40.728 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 164510  
ATOM 2829d H1 TIP3W6417 -16.780 7.779 40.657 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 164511  
ATOM 2829e H2 TIP3W6417 -15.474 7.855 39.895 0.00 0.00 WT8  
  
97 messages similar to the above omitted  
Duplicate atom serial number found: 28300  
Duplicate atom serial number found: 28301  
Duplicate atom serial number found: 28302  
Duplicate atom serial number found: 28303  
Duplicate atom serial number found: 28304  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 164619  
ATOM 2830a H2 TIP3W6473 -46.092 -34.338 -22.057 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 164620  
ATOM 2830b OH2 TIP3W6474 -30.165 -32.015 -43.924 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 164621  
ATOM 2830c H1 TIP3W6474 -31.077 -31.972 -44.213 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 164622  
ATOM 2830d H2 TIP3W6474 -30.220 -32.104 -42.972 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 164623  
ATOM 2830e OH2 TIP3W6475 -47.216 -53.617 -46.778 0.00 0.00 WT8  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 28310  
Duplicate atom serial number found: 28311  
Duplicate atom serial number found: 28312  
Duplicate atom serial number found: 28313  
Duplicate atom serial number found: 28314  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 164635  
ATOM 2831a OH2 TIP3W6480 18.000 36.805 -8.731 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 164636  
ATOM 2831b H1 TIP3W6480 18.218 37.729 -8.606 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 164637  
ATOM 2831c H2 TIP3W6480 18.847 36.366 -8.807 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 164638  
ATOM 2831d OH2 TIP3W6482 36.976 14.397 23.339 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 164639  
ATOM 2831e H1 TIP3W6482 36.160 14.679 23.752 0.00 0.00 WT8  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 28320  
Duplicate atom serial number found: 28321  
Duplicate atom serial number found: 28322  
Duplicate atom serial number found: 28323  
Duplicate atom serial number found: 28324  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 164651  
ATOM 2832a H1 TIP3W6491 43.753 -34.552 -54.731 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 164652  
ATOM 2832b H2 TIP3W6491 44.774 -35.659 -54.581 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 164653  
ATOM 2832c OH2 TIP3W6492 59.331 60.818 -33.981 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 164654  
ATOM 2832d H1 TIP3W6492 58.928 61.649 -34.231 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 164655  
ATOM 2832e H2 TIP3W6492 58.675 60.388 -33.432 0.00 0.00 WT8  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 28330  
Duplicate atom serial number found: 28331  
Duplicate atom serial number found: 28332  
Duplicate atom serial number found: 28333  
Duplicate atom serial number found: 28334  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 164667  
ATOM 2833a H2 TIP3W6497 30.029 -51.905 13.896 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 164668  
ATOM 2833b OH2 TIP3W6498 16.142 -49.890 3.998 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 164669  
ATOM 2833c H1 TIP3W6498 16.260 -50.639 4.583 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 164670  
ATOM 2833d H2 TIP3W6498 15.315 -49.497 4.276 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 164671  
ATOM 2833e OH2 TIP3W6499 24.113 53.380 -9.995 0.00 0.00 WT8  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 28340  
Duplicate atom serial number found: 28341  
Duplicate atom serial number found: 28342  
Duplicate atom serial number found: 28343  
Duplicate atom serial number found: 28344  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 164683  
ATOM 2834a OH2 TIP3W6511 36.808 -44.972 -9.070 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 164684  
ATOM 2834b H1 TIP3W6511 37.619 -45.064 -9.571 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 164685  
ATOM 2834c H2 TIP3W6511 37.041 -44.400 -8.339 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 164686  
ATOM 2834d OH2 TIP3W6514 58.435 -15.100 -37.543 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 164687  
ATOM 2834e H1 TIP3W6514 57.662 -15.560 -37.216 0.00 0.00 WT8  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 28350  
Duplicate atom serial number found: 28351  
Duplicate atom serial number found: 28352  
Duplicate atom serial number found: 28353  
Duplicate atom serial number found: 28354  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 164699  
ATOM 2835a H1 TIP3W6519 -33.842 -23.168 -50.421 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 164700  
ATOM 2835b H2 TIP3W6519 -32.574 -22.413 -50.081 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 164701  
ATOM 2835c OH2 TIP3W6521 41.916 57.362 -40.344 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 164702  
ATOM 2835d H1 TIP3W6521 42.773 57.204 -40.739 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 164703  
ATOM 2835e H2 TIP3W6521 41.377 56.626 -40.636 0.00 0.00 WT8  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 28360  
Duplicate atom serial number found: 28361  
Duplicate atom serial number found: 28362  
Duplicate atom serial number found: 28363  
Duplicate atom serial number found: 28364  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 164715  
ATOM 2836a H2 TIP3W6526 28.250 -35.861 -19.288 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 164716  
ATOM 2836b OH2 TIP3W6528 2.973 60.999 34.854 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 164717  
ATOM 2836c H1 TIP3W6528 2.274 60.784 35.472 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 164718  
ATOM 2836d H2 TIP3W6528 3.778 60.743 35.304 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 164719  
ATOM 2836e OH2 TIP3W6529 -26.398 50.021 29.063 0.00 0.00 WT8  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 28370  
Duplicate atom serial number found: 28371  
Duplicate atom serial number found: 28372  
Duplicate atom serial number found: 28373  
Duplicate atom serial number found: 28374  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 164731  
ATOM 2837a OH2 TIP3W6537 -12.061 55.086 -5.341 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 164732  
ATOM 2837b H1 TIP3W6537 -12.075 54.684 -4.472 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 164733  
ATOM 2837c H2 TIP3W6537 -12.296 56.000 -5.186 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 164734  
ATOM 2837d OH2 TIP3W6539 13.334 -25.837 -42.680 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 164735  
ATOM 2837e H1 TIP3W6539 12.534 -25.460 -43.046 0.00 0.00 WT8  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 28380  
Duplicate atom serial number found: 28381  
Duplicate atom serial number found: 28382  
Duplicate atom serial number found: 28383  
Duplicate atom serial number found: 28384  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 164747  
ATOM 2838a H1 TIP3W6545 -6.337 -36.291 37.572 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 164748  
ATOM 2838b H2 TIP3W6545 -5.868 -36.851 36.246 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 164749  
ATOM 2838c OH2 TIP3W6547 45.155 58.890 -7.174 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 164750  
ATOM 2838d H1 TIP3W6547 45.985 58.428 -7.295 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 164751  
ATOM 2838e H2 TIP3W6547 45.318 59.769 -7.515 0.00 0.00 WT8  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 28390  
Duplicate atom serial number found: 28391  
Duplicate atom serial number found: 28392  
Duplicate atom serial number found: 28393  
Duplicate atom serial number found: 28394  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 164763  
ATOM 2839a H2 TIP3W6553 -28.328 -23.202 28.872 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 164764  
ATOM 2839b OH2 TIP3W6554 -28.090 -10.267 14.029 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 164765  
ATOM 2839c H1 TIP3W6554 -28.966 -10.156 14.399 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 164766  
ATOM 2839d H2 TIP3W6554 -27.768 -9.375 13.900 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 164767  
ATOM 2839e OH2 TIP3W6555 27.120 56.070 28.625 0.00 0.00 WT8  
  
97 messages similar to the above omitted  
Duplicate atom serial number found: 28400  
Duplicate atom serial number found: 28401  
Duplicate atom serial number found: 28402  
Duplicate atom serial number found: 28403  
Duplicate atom serial number found: 28404  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 164875  
ATOM 2840a OH2 TIP3W6632 -38.341 44.642 -27.874 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 164876  
ATOM 2840b H1 TIP3W6632 -38.553 43.836 -28.344 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 164877  
ATOM 2840c H2 TIP3W6632 -37.392 44.609 -27.757 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 164878  
ATOM 2840d OH2 TIP3W6636 47.374 -18.337 22.313 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 164879  
ATOM 2840e H1 TIP3W6636 47.879 -17.607 21.955 0.00 0.00 WT8  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 28410  
Duplicate atom serial number found: 28411  
Duplicate atom serial number found: 28412  
Duplicate atom serial number found: 28413  
Duplicate atom serial number found: 28414  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 164891  
ATOM 2841a H1 TIP3W6642 -40.169 -15.474 0.199 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 164892  
ATOM 2841b H2 TIP3W6642 -38.709 -15.867 0.129 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 164893  
ATOM 2841c OH2 TIP3W6643 30.149 41.882 -50.432 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 164894  
ATOM 2841d H1 TIP3W6643 30.818 42.187 -51.045 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 164895  
ATOM 2841e H2 TIP3W6643 30.595 41.224 -49.899 0.00 0.00 WT8  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 28420  
Duplicate atom serial number found: 28421  
Duplicate atom serial number found: 28422  
Duplicate atom serial number found: 28423  
Duplicate atom serial number found: 28424  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 164907  
ATOM 2842a H2 TIP3W6650 -13.617 -2.433 18.861 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 164908  
ATOM 2842b OH2 TIP3W6652 42.561 -10.426 -58.789 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 164909  
ATOM 2842c H1 TIP3W6652 42.875 -9.555 -58.549 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 164910  
ATOM 2842d H2 TIP3W6652 41.927 -10.649 -58.108 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 164911  
ATOM 2842e OH2 TIP3W6654 0.523 35.919 -53.031 0.00 0.00 WT8  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 28430  
Duplicate atom serial number found: 28431  
Duplicate atom serial number found: 28432  
Duplicate atom serial number found: 28433  
Duplicate atom serial number found: 28434  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 164923  
ATOM 2843a OH2 TIP3W6661 -28.141 34.394 -60.272 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 164924  
ATOM 2843b H1 TIP3W6661 -27.407 33.841 -60.539 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 164925  
ATOM 2843c H2 TIP3W6661 -28.372 34.884 -61.062 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 164926  
ATOM 2843d OH2 TIP3W6662 -52.663 0.090 47.515 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 164927  
ATOM 2843e H1 TIP3W6662 -52.687 -0.476 48.287 0.00 0.00 WT8  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 28440  
Duplicate atom serial number found: 28441  
Duplicate atom serial number found: 28442  
Duplicate atom serial number found: 28443  
Duplicate atom serial number found: 28444  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 164939  
ATOM 2844a H1 TIP3W6667 12.886 50.548 -50.475 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 164940  
ATOM 2844b H2 TIP3W6667 11.672 50.944 -51.289 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 164941  
ATOM 2844c OH2 TIP3W6668 -9.283 40.511 -32.542 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 164942  
ATOM 2844d H1 TIP3W6668 -9.379 41.459 -32.635 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 164943  
ATOM 2844e H2 TIP3W6668 -9.204 40.189 -33.440 0.00 0.00 WT8  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 28450  
Duplicate atom serial number found: 28451  
Duplicate atom serial number found: 28452  
Duplicate atom serial number found: 28453  
Duplicate atom serial number found: 28454  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 164955  
ATOM 2845a H2 TIP3W6672 -23.216 -7.907 33.639 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 164956  
ATOM 2845b OH2 TIP3W6673 1.936 -24.835 -17.852 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 164957  
ATOM 2845c H1 TIP3W6673 2.149 -25.739 -18.081 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 164958  
ATOM 2845d H2 TIP3W6673 1.273 -24.575 -18.492 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 164959  
ATOM 2845e OH2 TIP3W6678 35.678 27.734 58.938 0.00 0.00 WT8  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 28460  
Duplicate atom serial number found: 28461  
Duplicate atom serial number found: 28462  
Duplicate atom serial number found: 28463  
Duplicate atom serial number found: 28464  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 164971  
ATOM 2846a OH2 TIP3W6684 -5.422 29.186 -48.927 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 164972  
ATOM 2846b H1 TIP3W6684 -6.163 28.819 -49.410 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 164973  
ATOM 2846c H2 TIP3W6684 -5.642 29.044 -48.007 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 164974  
ATOM 2846d OH2 TIP3W6685 13.872 57.336 -46.541 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 164975  
ATOM 2846e H1 TIP3W6685 14.589 57.488 -45.925 0.00 0.00 WT8  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 28470  
Duplicate atom serial number found: 28471  
Duplicate atom serial number found: 28472  
Duplicate atom serial number found: 28473  
Duplicate atom serial number found: 28474  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 164987  
ATOM 2847a H1 TIP3W6690 -56.595 6.274 -20.031 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 164988  
ATOM 2847b H2 TIP3W6690 -55.875 5.809 -21.279 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 164989  
ATOM 2847c OH2 TIP3W6691 -33.941 28.958 -61.132 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 164990  
ATOM 2847d H1 TIP3W6691 -33.015 28.765 -60.981 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 164991  
ATOM 2847e H2 TIP3W6691 -34.096 29.775 -60.659 0.00 0.00 WT8  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 28480  
Duplicate atom serial number found: 28481  
Duplicate atom serial number found: 28482  
Duplicate atom serial number found: 28483  
Duplicate atom serial number found: 28484  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 165003  
ATOM 2848a H2 TIP3W6698 -33.632 34.897 -51.503 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 165004  
ATOM 2848b OH2 TIP3W6700 53.722 37.927 -28.074 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 165005  
ATOM 2848c H1 TIP3W6700 53.654 37.496 -27.223 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 165006  
ATOM 2848d H2 TIP3W6700 54.564 37.636 -28.424 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 165007  
ATOM 2848e OH2 TIP3W6703 -1.033 57.854 -17.042 0.00 0.00 WT8  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 28490  
Duplicate atom serial number found: 28491  
Duplicate atom serial number found: 28492  
Duplicate atom serial number found: 28493  
Duplicate atom serial number found: 28494  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 165019  
ATOM 2849a OH2 TIP3W6707 34.273 -2.063 19.408 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 165020  
ATOM 2849b H1 TIP3W6707 34.079 -2.286 18.497 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 165021  
ATOM 2849c H2 TIP3W6707 33.732 -2.662 19.922 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 165022  
ATOM 2849d OH2 TIP3W6708 24.193 -5.381 -35.635 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 165023  
ATOM 2849e H1 TIP3W6708 24.644 -4.757 -35.067 0.00 0.00 WT8  
  
97 messages similar to the above omitted  
Duplicate atom serial number found: 28500  
Duplicate atom serial number found: 28501  
Duplicate atom serial number found: 28502  
Duplicate atom serial number found: 28503  
Duplicate atom serial number found: 28504  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 165131  
ATOM 2850a H1 TIP3W6757 30.826 -50.588 17.882 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 165132  
ATOM 2850b H2 TIP3W6757 30.241 -50.343 19.257 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 165133  
ATOM 2850c OH2 TIP3W6760 -38.681 -5.878 -36.346 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 165134  
ATOM 2850d H1 TIP3W6760 -38.465 -5.313 -37.088 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 165135  
ATOM 2850e H2 TIP3W6760 -38.148 -6.662 -36.480 0.00 0.00 WT8  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 28510  
Duplicate atom serial number found: 28511  
Duplicate atom serial number found: 28512  
Duplicate atom serial number found: 28513  
Duplicate atom serial number found: 28514  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 165147  
ATOM 2851a H2 TIP3W6767 55.716 -13.909 -12.585 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 165148  
ATOM 2851b OH2 TIP3W6768 -46.553 24.475 -42.481 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 165149  
ATOM 2851c H1 TIP3W6768 -46.553 25.327 -42.046 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 165150  
ATOM 2851d H2 TIP3W6768 -45.843 23.990 -42.061 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 165151  
ATOM 2851e OH2 TIP3W6769 6.055 26.407 27.452 0.00 0.00 WT8  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 28520  
Duplicate atom serial number found: 28521  
Duplicate atom serial number found: 28522  
Duplicate atom serial number found: 28523  
Duplicate atom serial number found: 28524  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 165163  
ATOM 2852a OH2 TIP3W6774 37.719 -31.682 32.816 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 165164  
ATOM 2852b H1 TIP3W6774 38.446 -31.583 33.430 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 165165  
ATOM 2852c H2 TIP3W6774 37.918 -31.069 32.108 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 165166  
ATOM 2852d OH2 TIP3W6776 13.745 27.820 5.964 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 165167  
ATOM 2852e H1 TIP3W6776 14.101 26.953 5.771 0.00 0.00 WT8  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 28530  
Duplicate atom serial number found: 28531  
Duplicate atom serial number found: 28532  
Duplicate atom serial number found: 28533  
Duplicate atom serial number found: 28534  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 165179  
ATOM 2853a H1 TIP3W6781 -31.743 9.485 -8.882 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 165180  
ATOM 2853b H2 TIP3W6781 -32.675 10.514 -8.278 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 165181  
ATOM 2853c OH2 TIP3W6788 6.084 -11.349 20.704 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 165182  
ATOM 2853d H1 TIP3W6788 6.369 -11.143 21.594 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 165183  
ATOM 2853e H2 TIP3W6788 5.583 -10.581 20.428 0.00 0.00 WT8  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 28540  
Duplicate atom serial number found: 28541  
Duplicate atom serial number found: 28542  
Duplicate atom serial number found: 28543  
Duplicate atom serial number found: 28544  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 165195  
ATOM 2854a H2 TIP3W6792 -35.886 -56.819 -61.106 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 165196  
ATOM 2854b OH2 TIP3W6793 -49.187 24.801 -6.252 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 165197  
ATOM 2854c H1 TIP3W6793 -49.104 24.944 -7.195 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 165198  
ATOM 2854d H2 TIP3W6793 -48.897 23.898 -6.120 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 165199  
ATOM 2854e OH2 TIP3W6794 57.534 31.481 -42.892 0.00 0.00 WT8  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 28550  
Duplicate atom serial number found: 28551  
Duplicate atom serial number found: 28552  
Duplicate atom serial number found: 28553  
Duplicate atom serial number found: 28554  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 165211  
ATOM 2855a OH2 TIP3W6798 -60.152 -41.705 10.298 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 165212  
ATOM 2855b H1 TIP3W6798 -60.147 -41.162 9.510 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 165213  
ATOM 2855c H2 TIP3W6798 -60.733 -41.245 10.904 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 165214  
ATOM 2855d OH2 TIP3W6801 33.762 31.361 -5.887 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 165215  
ATOM 2855e H1 TIP3W6801 33.221 31.434 -5.101 0.00 0.00 WT8  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 28560  
Duplicate atom serial number found: 28561  
Duplicate atom serial number found: 28562  
Duplicate atom serial number found: 28563  
Duplicate atom serial number found: 28564  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 165227  
ATOM 2856a H1 TIP3W6808 -38.669 15.500 27.643 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 165228  
ATOM 2856b H2 TIP3W6808 -37.846 14.230 27.682 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 165229  
ATOM 2856c OH2 TIP3W6809 41.362 47.904 -56.419 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 165230  
ATOM 2856d H1 TIP3W6809 41.101 47.853 -57.338 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 165231  
ATOM 2856e H2 TIP3W6809 41.522 48.836 -56.266 0.00 0.00 WT8  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 28570  
Duplicate atom serial number found: 28571  
Duplicate atom serial number found: 28572  
Duplicate atom serial number found: 28573  
Duplicate atom serial number found: 28574  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 165243  
ATOM 2857a H2 TIP3W6813 0.499 -51.972 1.801 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 165244  
ATOM 2857b OH2 TIP3W6814 6.725 18.153 -50.735 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 165245  
ATOM 2857c H1 TIP3W6814 7.024 17.244 -50.695 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 165246  
ATOM 2857d H2 TIP3W6814 6.455 18.356 -49.840 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 165247  
ATOM 2857e OH2 TIP3W6815 -51.591 25.004 30.939 0.00 0.00 WT8  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 28580  
Duplicate atom serial number found: 28581  
Duplicate atom serial number found: 28582  
Duplicate atom serial number found: 28583  
Duplicate atom serial number found: 28584  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 165259  
ATOM 2858a OH2 TIP3W6819 59.233 -6.068 50.330 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 165260  
ATOM 2858b H1 TIP3W6819 58.511 -5.456 50.467 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 165261  
ATOM 2858c H2 TIP3W6819 58.853 -6.776 49.810 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 165262  
ATOM 2858d OH2 TIP3W6820 -13.610 -55.100 -22.737 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 165263  
ATOM 2858e H1 TIP3W6820 -14.036 -55.180 -23.590 0.00 0.00 WT8  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 28590  
Duplicate atom serial number found: 28591  
Duplicate atom serial number found: 28592  
Duplicate atom serial number found: 28593  
Duplicate atom serial number found: 28594  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 165275  
ATOM 2859a H1 TIP3W6824 34.526 38.002 -44.150 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 165276  
ATOM 2859b H2 TIP3W6824 33.103 38.010 -43.632 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 165277  
ATOM 2859c OH2 TIP3W6825 32.690 -12.420 32.232 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 165278  
ATOM 2859d H1 TIP3W6825 31.784 -12.119 32.157 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 165279  
ATOM 2859e H2 TIP3W6825 33.152 -11.968 31.526 0.00 0.00 WT8  
  
97 messages similar to the above omitted  
Duplicate atom serial number found: 28600  
Duplicate atom serial number found: 28601  
Duplicate atom serial number found: 28602  
Duplicate atom serial number found: 28603  
Duplicate atom serial number found: 28604  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 165387  
ATOM 2860a H2 TIP3W6879 -11.242 5.216 49.890 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 165388  
ATOM 2860b OH2 TIP3W6880 -25.219 21.067 -50.749 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 165389  
ATOM 2860c H1 TIP3W6880 -24.631 21.323 -51.460 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 165390  
ATOM 2860d H2 TIP3W6880 -24.635 20.786 -50.045 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 165391  
ATOM 2860e OH2 TIP3W6881 2.740 53.454 23.815 0.00 0.00 WT8  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 28610  
Duplicate atom serial number found: 28611  
Duplicate atom serial number found: 28612  
Duplicate atom serial number found: 28613  
Duplicate atom serial number found: 28614  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 165403  
ATOM 2861a OH2 TIP3W6886 -28.704 23.993 28.857 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 165404  
ATOM 2861b H1 TIP3W6886 -28.786 24.676 28.192 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 165405  
ATOM 2861c H2 TIP3W6886 -28.920 24.432 29.680 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 165406  
ATOM 2861d OH2 TIP3W6887 -6.420 49.610 -43.553 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 165407  
ATOM 2861e H1 TIP3W6887 -6.776 50.497 -43.512 0.00 0.00 WT8  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 28620  
Duplicate atom serial number found: 28621  
Duplicate atom serial number found: 28622  
Duplicate atom serial number found: 28623  
Duplicate atom serial number found: 28624  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 165419  
ATOM 2862a H1 TIP3W6893 -30.089 49.446 1.990 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 165420  
ATOM 2862b H2 TIP3W6893 -30.240 47.950 1.812 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 165421  
ATOM 2862c OH2 TIP3W6894 -10.683 -5.003 33.389 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 165422  
ATOM 2862d H1 TIP3W6894 -11.148 -5.810 33.166 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 165423  
ATOM 2862e H2 TIP3W6894 -11.359 -4.426 33.743 0.00 0.00 WT8  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 28630  
Duplicate atom serial number found: 28631  
Duplicate atom serial number found: 28632  
Duplicate atom serial number found: 28633  
Duplicate atom serial number found: 28634  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 165435  
ATOM 2863a H2 TIP3W6902 22.008 47.665 -47.411 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 165436  
ATOM 2863b OH2 TIP3W6903 33.967 -25.310 25.734 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 165437  
ATOM 2863c H1 TIP3W6903 33.766 -24.632 26.379 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 165438  
ATOM 2863d H2 TIP3W6903 33.732 -24.918 24.893 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 165439  
ATOM 2863e OH2 TIP3W6904 11.786 34.936 50.816 0.00 0.00 WT8  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 28640  
Duplicate atom serial number found: 28641  
Duplicate atom serial number found: 28642  
Duplicate atom serial number found: 28643  
Duplicate atom serial number found: 28644  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 165451  
ATOM 2864a OH2 TIP3W6917 -29.764 2.893 22.440 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 165452  
ATOM 2864b H1 TIP3W6917 -29.417 3.637 21.947 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 165453  
ATOM 2864c H2 TIP3W6917 -30.370 2.465 21.835 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 165454  
ATOM 2864d OH2 TIP3W6919 47.958 31.872 -9.843 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 165455  
ATOM 2864e H1 TIP3W6919 47.772 32.751 -10.174 0.00 0.00 WT8  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 28650  
Duplicate atom serial number found: 28651  
Duplicate atom serial number found: 28652  
Duplicate atom serial number found: 28653  
Duplicate atom serial number found: 28654  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 165467  
ATOM 2865a H1 TIP3W6923 -52.878 3.511 -39.887 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 165468  
ATOM 2865b H2 TIP3W6923 -51.736 4.328 -40.453 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 165469  
ATOM 2865c OH2 TIP3W6925 29.236 26.297 -53.751 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 165470  
ATOM 2865d H1 TIP3W6925 28.452 26.581 -53.281 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 165471  
ATOM 2865e H2 TIP3W6925 29.651 27.110 -54.039 0.00 0.00 WT8  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 28660  
Duplicate atom serial number found: 28661  
Duplicate atom serial number found: 28662  
Duplicate atom serial number found: 28663  
Duplicate atom serial number found: 28664  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 165483  
ATOM 2866a H2 TIP3W6930 51.329 -59.811 -3.913 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 165484  
ATOM 2866b OH2 TIP3W6931 -31.619 2.314 18.638 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 165485  
ATOM 2866c H1 TIP3W6931 -31.736 2.180 19.579 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 165486  
ATOM 2866d H2 TIP3W6931 -32.502 2.485 18.309 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 165487  
ATOM 2866e OH2 TIP3W6932 -36.974 45.667 -39.124 0.00 0.00 WT8  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 28670  
Duplicate atom serial number found: 28671  
Duplicate atom serial number found: 28672  
Duplicate atom serial number found: 28673  
Duplicate atom serial number found: 28674  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 165499  
ATOM 2867a OH2 TIP3W6937 -10.690 37.588 -23.177 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 165500  
ATOM 2867b H1 TIP3W6937 -11.063 37.311 -22.340 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 165501  
ATOM 2867c H2 TIP3W6937 -10.064 36.899 -23.400 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 165502  
ATOM 2867d OH2 TIP3W6939 -12.607 9.280 25.920 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 165503  
ATOM 2867e H1 TIP3W6939 -12.342 9.437 26.826 0.00 0.00 WT8  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 28680  
Duplicate atom serial number found: 28681  
Duplicate atom serial number found: 28682  
Duplicate atom serial number found: 28683  
Duplicate atom serial number found: 28684  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 165515  
ATOM 2868a H1 TIP3W6944 22.780 -22.917 8.102 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 165516  
ATOM 2868b H2 TIP3W6944 21.487 -22.355 7.551 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 165517  
ATOM 2868c OH2 TIP3W6945 42.385 14.282 -52.489 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 165518  
ATOM 2868d H1 TIP3W6945 42.090 13.391 -52.676 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 165519  
ATOM 2868e H2 TIP3W6945 43.219 14.168 -52.034 0.00 0.00 WT8  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 28690  
Duplicate atom serial number found: 28691  
Duplicate atom serial number found: 28692  
Duplicate atom serial number found: 28693  
Duplicate atom serial number found: 28694  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 165531  
ATOM 2869a H2 TIP3W6953 -14.583 11.874 42.574 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 165532  
ATOM 2869b OH2 TIP3W6954 -21.939 4.776 34.013 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 165533  
ATOM 2869c H1 TIP3W6954 -21.036 5.021 33.811 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 165534  
ATOM 2869d H2 TIP3W6954 -22.450 5.124 33.282 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 165535  
ATOM 2869e OH2 TIP3W6955 -43.911 28.044 48.677 0.00 0.00 WT8  
  
97 messages similar to the above omitted  
Duplicate atom serial number found: 28700  
Duplicate atom serial number found: 28701  
Duplicate atom serial number found: 28702  
Duplicate atom serial number found: 28703  
Duplicate atom serial number found: 28704  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 165643  
ATOM 2870a OH2 TIP3W7022 48.410 -28.037 41.442 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 165644  
ATOM 2870b H1 TIP3W7022 49.076 -28.716 41.550 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 165645  
ATOM 2870c H2 TIP3W7022 47.817 -28.385 40.777 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 165646  
ATOM 2870d OH2 TIP3W7023 31.257 -57.918 -19.665 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 165647  
ATOM 2870e H1 TIP3W7023 31.899 -58.578 -19.403 0.00 0.00 WT8  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 28710  
Duplicate atom serial number found: 28711  
Duplicate atom serial number found: 28712  
Duplicate atom serial number found: 28713  
Duplicate atom serial number found: 28714  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 165659  
ATOM 2871a H1 TIP3W7029 22.550 -28.821 -41.364 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 165660  
ATOM 2871b H2 TIP3W7029 22.208 -28.818 -39.890 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 165661  
ATOM 2871c OH2 TIP3W7035 46.964 13.967 -7.700 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 165662  
ATOM 2871d H1 TIP3W7035 47.206 13.046 -7.801 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 165663  
ATOM 2871e H2 TIP3W7035 47.766 14.394 -7.398 0.00 0.00 WT8  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 28720  
Duplicate atom serial number found: 28721  
Duplicate atom serial number found: 28722  
Duplicate atom serial number found: 28723  
Duplicate atom serial number found: 28724  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 165675  
ATOM 2872a H2 TIP3W7045 38.876 -20.070 41.442 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 165676  
ATOM 2872b OH2 TIP3W7046 48.922 32.380 59.708 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 165677  
ATOM 2872c H1 TIP3W7046 48.740 31.466 59.487 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 165678  
ATOM 2872d H2 TIP3W7046 49.629 32.334 60.351 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 165679  
ATOM 2872e OH2 TIP3W7052 59.041 -27.250 -55.511 0.00 0.00 WT8  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 28730  
Duplicate atom serial number found: 28731  
Duplicate atom serial number found: 28732  
Duplicate atom serial number found: 28733  
Duplicate atom serial number found: 28734  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 165691  
ATOM 2873a OH2 TIP3W7062 28.462 30.180 -61.226 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 165692  
ATOM 2873b H1 TIP3W7062 27.708 29.981 -60.671 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 165693  
ATOM 2873c H2 TIP3W7062 28.786 31.019 -60.897 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 165694  
ATOM 2873d OH2 TIP3W7064 37.476 44.295 -51.895 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 165695  
ATOM 2873e H1 TIP3W7064 37.037 44.783 -51.198 0.00 0.00 WT8  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 28740  
Duplicate atom serial number found: 28741  
Duplicate atom serial number found: 28742  
Duplicate atom serial number found: 28743  
Duplicate atom serial number found: 28744  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 165707  
ATOM 2874a H1 TIP3W7071 31.870 31.414 -44.680 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 165708  
ATOM 2874b H2 TIP3W7071 31.847 31.502 -43.169 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 165709  
ATOM 2874c OH2 TIP3W7073 11.298 -23.874 -37.549 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 165710  
ATOM 2874d H1 TIP3W7073 10.657 -23.170 -37.457 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 165711  
ATOM 2874e H2 TIP3W7073 12.144 -23.427 -37.568 0.00 0.00 WT8  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 28750  
Duplicate atom serial number found: 28751  
Duplicate atom serial number found: 28752  
Duplicate atom serial number found: 28753  
Duplicate atom serial number found: 28754  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 165723  
ATOM 2875a H2 TIP3W7083 -22.803 28.860 36.906 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 165724  
ATOM 2875b OH2 TIP3W7085 10.806 24.171 -36.393 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 165725  
ATOM 2875c H1 TIP3W7085 10.449 23.458 -36.923 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 165726  
ATOM 2875d H2 TIP3W7085 11.183 23.735 -35.629 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 165727  
ATOM 2875e OH2 TIP3W7086 36.662 -9.927 27.073 0.00 0.00 WT8  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 28760  
Duplicate atom serial number found: 28761  
Duplicate atom serial number found: 28762  
Duplicate atom serial number found: 28763  
Duplicate atom serial number found: 28764  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 165739  
ATOM 2876a OH2 TIP3W7097 -36.015 -23.927 -46.856 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 165740  
ATOM 2876b H1 TIP3W7097 -36.024 -24.608 -46.182 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 165741  
ATOM 2876c H2 TIP3W7097 -35.156 -24.011 -47.270 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 165742  
ATOM 2876d OH2 TIP3W7099 10.440 11.147 -3.477 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 165743  
ATOM 2876e H1 TIP3W7099 9.888 11.896 -3.703 0.00 0.00 WT8  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 28770  
Duplicate atom serial number found: 28771  
Duplicate atom serial number found: 28772  
Duplicate atom serial number found: 28773  
Duplicate atom serial number found: 28774  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 165755  
ATOM 2877a H1 TIP3W7103 -43.017 -4.454 -13.786 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 165756  
ATOM 2877b H2 TIP3W7103 -43.566 -4.022 -12.443 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 165757  
ATOM 2877c OH2 TIP3W7105 -37.399 33.977 -37.382 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 165758  
ATOM 2877d H1 TIP3W7105 -36.623 34.354 -36.967 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 165759  
ATOM 2877e H2 TIP3W7105 -37.531 34.506 -38.169 0.00 0.00 WT8  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 28780  
Duplicate atom serial number found: 28781  
Duplicate atom serial number found: 28782  
Duplicate atom serial number found: 28783  
Duplicate atom serial number found: 28784  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 165771  
ATOM 2878a H2 TIP3W7115 50.845 12.846 1.529 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 165772  
ATOM 2878b OH2 TIP3W7117 -27.922 -34.024 -48.446 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 165773  
ATOM 2878c H1 TIP3W7117 -28.873 -34.066 -48.548 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 165774  
ATOM 2878d H2 TIP3W7117 -27.773 -33.258 -47.891 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 165775  
ATOM 2878e OH2 TIP3W7118 16.988 59.228 -15.654 0.00 0.00 WT8  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 28790  
Duplicate atom serial number found: 28791  
Duplicate atom serial number found: 28792  
Duplicate atom serial number found: 28793  
Duplicate atom serial number found: 28794  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 165787  
ATOM 2879a OH2 TIP3W7125 29.504 28.900 -36.392 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 165788  
ATOM 2879b H1 TIP3W7125 30.180 28.636 -37.016 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 165789  
ATOM 2879c H2 TIP3W7125 29.696 28.395 -35.602 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 165790  
ATOM 2879d OH2 TIP3W7126 -30.010 1.113 -25.897 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 165791  
ATOM 2879e H1 TIP3W7126 -30.560 1.290 -25.134 0.00 0.00 WT8  
  
97 messages similar to the above omitted  
Duplicate atom serial number found: 28800  
Duplicate atom serial number found: 28801  
Duplicate atom serial number found: 28802  
Duplicate atom serial number found: 28803  
Duplicate atom serial number found: 28804  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 165899  
ATOM 2880a H1 TIP3W7185 13.470 -48.955 46.288 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 165900  
ATOM 2880b H2 TIP3W7185 14.015 -50.090 45.447 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 165901  
ATOM 2880c OH2 TIP3W7186 -25.378 23.372 -59.353 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 165902  
ATOM 2880d H1 TIP3W7186 -26.140 23.100 -59.864 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 165903  
ATOM 2880e H2 TIP3W7186 -25.211 24.272 -59.632 0.00 0.00 WT8  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 28810  
Duplicate atom serial number found: 28811  
Duplicate atom serial number found: 28812  
Duplicate atom serial number found: 28813  
Duplicate atom serial number found: 28814  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 165915  
ATOM 2881a H2 TIP3W7195 7.338 33.466 21.383 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 165916  
ATOM 2881b OH2 TIP3W7196 40.668 -58.480 -33.322 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 165917  
ATOM 2881c H1 TIP3W7196 40.149 -58.404 -32.522 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 165918  
ATOM 2881d H2 TIP3W7196 41.298 -57.761 -33.269 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 165919  
ATOM 2881e OH2 TIP3W7197 -39.321 43.564 -20.815 0.00 0.00 WT8  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 28820  
Duplicate atom serial number found: 28821  
Duplicate atom serial number found: 28822  
Duplicate atom serial number found: 28823  
Duplicate atom serial number found: 28824  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 165931  
ATOM 2882a OH2 TIP3W7203 19.831 33.971 0.995 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 165932  
ATOM 2882b H1 TIP3W7203 20.269 33.978 1.846 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 165933  
ATOM 2882c H2 TIP3W7203 19.684 33.043 0.809 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 165934  
ATOM 2882d OH2 TIP3W7206 12.604 -38.140 -54.374 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 165935  
ATOM 2882e H1 TIP3W7206 13.479 -38.159 -53.987 0.00 0.00 WT8  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 28830  
Duplicate atom serial number found: 28831  
Duplicate atom serial number found: 28832  
Duplicate atom serial number found: 28833  
Duplicate atom serial number found: 28834  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 165947  
ATOM 2883a H1 TIP3W7211 18.924 -55.916 46.846 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 165948  
ATOM 2883b H2 TIP3W7211 19.219 -57.333 46.400 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 165949  
ATOM 2883c OH2 TIP3W7212 28.785 -22.165 4.276 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 165950  
ATOM 2883d H1 TIP3W7212 28.523 -21.247 4.346 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 165951  
ATOM 2883e H2 TIP3W7212 28.343 -22.481 3.488 0.00 0.00 WT8  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 28840  
Duplicate atom serial number found: 28841  
Duplicate atom serial number found: 28842  
Duplicate atom serial number found: 28843  
Duplicate atom serial number found: 28844  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 165963  
ATOM 2884a H2 TIP3W7216 -24.399 45.166 42.054 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 165964  
ATOM 2884b OH2 TIP3W7217 27.704 -19.645 -36.887 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 165965  
ATOM 2884c H1 TIP3W7217 27.949 -18.896 -36.343 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 165966  
ATOM 2884d H2 TIP3W7217 28.089 -19.457 -37.743 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 165967  
ATOM 2884e OH2 TIP3W7219 10.108 -17.307 -20.624 0.00 0.00 WT8  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 28850  
Duplicate atom serial number found: 28851  
Duplicate atom serial number found: 28852  
Duplicate atom serial number found: 28853  
Duplicate atom serial number found: 28854  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 165979  
ATOM 2885a OH2 TIP3W7231 -9.509 -23.317 -14.653 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 165980  
ATOM 2885b H1 TIP3W7231 -8.792 -22.730 -14.416 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 165981  
ATOM 2885c H2 TIP3W7231 -10.223 -22.733 -14.910 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 165982  
ATOM 2885d OH2 TIP3W7232 -32.134 -14.045 26.187 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 165983  
ATOM 2885e H1 TIP3W7232 -31.376 -14.299 26.713 0.00 0.00 WT8  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 28860  
Duplicate atom serial number found: 28861  
Duplicate atom serial number found: 28862  
Duplicate atom serial number found: 28863  
Duplicate atom serial number found: 28864  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 165995  
ATOM 2886a H1 TIP3W7239 16.576 55.281 23.707 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 165996  
ATOM 2886b H2 TIP3W7239 15.949 56.473 23.015 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 165997  
ATOM 2886c OH2 TIP3W7241 -54.863 -20.099 -36.675 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 165998  
ATOM 2886d H1 TIP3W7241 -54.735 -20.875 -37.220 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 165999  
ATOM 2886e H2 TIP3W7241 -54.464 -20.327 -35.835 0.00 0.00 WT8  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 28870  
Duplicate atom serial number found: 28871  
Duplicate atom serial number found: 28872  
Duplicate atom serial number found: 28873  
Duplicate atom serial number found: 28874  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 166011  
ATOM 2887a H2 TIP3W7249 -44.314 -54.525 -56.687 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 166012  
ATOM 2887b OH2 TIP3W7250 -6.093 -45.668 45.311 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 166013  
ATOM 2887c H1 TIP3W7250 -6.232 -46.535 44.928 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 166014  
ATOM 2887d H2 TIP3W7250 -5.369 -45.297 44.806 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 166015  
ATOM 2887e OH2 TIP3W7251 -7.715 47.913 39.986 0.00 0.00 WT8  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 28880  
Duplicate atom serial number found: 28881  
Duplicate atom serial number found: 28882  
Duplicate atom serial number found: 28883  
Duplicate atom serial number found: 28884  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 166027  
ATOM 2888a OH2 TIP3W7255 -55.281 -31.348 -19.347 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 166028  
ATOM 2888b H1 TIP3W7255 -55.862 -30.934 -18.709 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 166029  
ATOM 2888c H2 TIP3W7255 -55.348 -32.284 -19.160 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 166030  
ATOM 2888d OH2 TIP3W7257 48.339 30.564 2.243 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 166031  
ATOM 2888e H1 TIP3W7257 49.079 30.029 2.528 0.00 0.00 WT8  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 28890  
Duplicate atom serial number found: 28891  
Duplicate atom serial number found: 28892  
Duplicate atom serial number found: 28893  
Duplicate atom serial number found: 28894  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 166043  
ATOM 2889a H1 TIP3W7265 -22.907 34.557 11.872 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 166044  
ATOM 2889b H2 TIP3W7265 -21.777 34.443 10.870 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 166045  
ATOM 2889c OH2 TIP3W7267 -14.294 59.108 -61.529 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 166046  
ATOM 2889d H1 TIP3W7267 -14.800 59.911 -61.399 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 166047  
ATOM 2889e H2 TIP3W7267 -14.676 58.482 -60.914 0.00 0.00 WT8  
  
97 messages similar to the above omitted  
Duplicate atom serial number found: 28900  
Duplicate atom serial number found: 28901  
Duplicate atom serial number found: 28902  
Duplicate atom serial number found: 28903  
Duplicate atom serial number found: 28904  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 166155  
ATOM 2890a H2 TIP3W7324 53.397 4.213 -36.074 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 166156  
ATOM 2890b OH2 TIP3W7326 23.596 -36.193 -48.689 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 166157  
ATOM 2890c H1 TIP3W7326 23.828 -36.688 -47.903 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 166158  
ATOM 2890d H2 TIP3W7326 24.044 -35.354 -48.584 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 166159  
ATOM 2890e OH2 TIP3W7327 -60.418 52.281 -26.488 0.00 0.00 WT8  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 28910  
Duplicate atom serial number found: 28911  
Duplicate atom serial number found: 28912  
Duplicate atom serial number found: 28913  
Duplicate atom serial number found: 28914  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 166171  
ATOM 2891a OH2 TIP3W7334 -58.602 25.360 -19.865 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 166172  
ATOM 2891b H1 TIP3W7334 -59.508 25.384 -19.558 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 166173  
ATOM 2891c H2 TIP3W7334 -58.387 24.428 -19.906 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 166174  
ATOM 2891d OH2 TIP3W7335 53.158 -19.034 24.680 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 166175  
ATOM 2891e H1 TIP3W7335 52.204 -18.959 24.709 0.00 0.00 WT8  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 28920  
Duplicate atom serial number found: 28921  
Duplicate atom serial number found: 28922  
Duplicate atom serial number found: 28923  
Duplicate atom serial number found: 28924  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 166187  
ATOM 2892a H1 TIP3W7341 26.574 -41.942 13.264 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 166188  
ATOM 2892b H2 TIP3W7341 26.523 -40.445 13.483 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 166189  
ATOM 2892c OH2 TIP3W7342 18.359 41.065 -28.854 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 166190  
ATOM 2892d H1 TIP3W7342 18.598 41.975 -28.678 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 166191  
ATOM 2892e H2 TIP3W7342 17.843 41.104 -29.659 0.00 0.00 WT8  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 28930  
Duplicate atom serial number found: 28931  
Duplicate atom serial number found: 28932  
Duplicate atom serial number found: 28933  
Duplicate atom serial number found: 28934  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 166203  
ATOM 2893a H2 TIP3W7348 -30.699 -34.845 -34.919 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 166204  
ATOM 2893b OH2 TIP3W7349 54.892 1.436 11.427 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 166205  
ATOM 2893c H1 TIP3W7349 54.357 0.653 11.554 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 166206  
ATOM 2893d H2 TIP3W7349 55.670 1.285 11.964 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 166207  
ATOM 2893e OH2 TIP3W7351 -6.230 47.402 -25.434 0.00 0.00 WT8  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 28940  
Duplicate atom serial number found: 28941  
Duplicate atom serial number found: 28942  
Duplicate atom serial number found: 28943  
Duplicate atom serial number found: 28944  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 166219  
ATOM 2894a OH2 TIP3W7360 -20.809 -1.783 35.552 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 166220  
ATOM 2894b H1 TIP3W7360 -21.538 -1.863 36.167 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 166221  
ATOM 2894c H2 TIP3W7360 -20.396 -0.949 35.776 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 166222  
ATOM 2894d OH2 TIP3W7361 52.338 10.256 13.877 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 166223  
ATOM 2894e H1 TIP3W7361 53.046 9.636 13.702 0.00 0.00 WT8  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 28950  
Duplicate atom serial number found: 28951  
Duplicate atom serial number found: 28952  
Duplicate atom serial number found: 28953  
Duplicate atom serial number found: 28954  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 166235  
ATOM 2895a H1 TIP3W7370 8.701 59.319 -3.047 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 166236  
ATOM 2895b H2 TIP3W7370 9.950 59.721 -2.292 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 166237  
ATOM 2895c OH2 TIP3W7371 33.540 -19.386 -38.200 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 166238  
ATOM 2895d H1 TIP3W7371 32.730 -18.999 -37.869 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 166239  
ATOM 2895e H2 TIP3W7371 33.956 -19.770 -37.429 0.00 0.00 WT8  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 28960  
Duplicate atom serial number found: 28961  
Duplicate atom serial number found: 28962  
Duplicate atom serial number found: 28963  
Duplicate atom serial number found: 28964  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 166251  
ATOM 2896a H2 TIP3W7379 -0.835 42.903 -6.571 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 166252  
ATOM 2896b OH2 TIP3W7381 -53.432 20.390 56.838 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 166253  
ATOM 2896c H1 TIP3W7381 -53.535 21.308 57.090 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 166254  
ATOM 2896d H2 TIP3W7381 -54.322 20.090 56.655 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 166255  
ATOM 2896e OH2 TIP3W7382 61.080 -15.814 13.340 0.00 0.00 WT8  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 28970  
Duplicate atom serial number found: 28971  
Duplicate atom serial number found: 28972  
Duplicate atom serial number found: 28973  
Duplicate atom serial number found: 28974  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 166267  
ATOM 2897a OH2 TIP3W7398 55.794 -6.736 19.111 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 166268  
ATOM 2897b H1 TIP3W7398 56.228 -7.517 18.769 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 166269  
ATOM 2897c H2 TIP3W7398 54.861 -6.902 18.979 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 166270  
ATOM 2897d OH2 TIP3W7399 -45.924 -56.000 -18.432 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 166271  
ATOM 2897e H1 TIP3W7399 -45.151 -56.537 -18.260 0.00 0.00 WT8  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 28980  
Duplicate atom serial number found: 28981  
Duplicate atom serial number found: 28982  
Duplicate atom serial number found: 28983  
Duplicate atom serial number found: 28984  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 166283  
ATOM 2898a H1 TIP3W7411 -40.062 -7.454 13.647 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 166284  
ATOM 2898b H2 TIP3W7411 -40.140 -5.943 13.693 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 166285  
ATOM 2898c OH2 TIP3W7415 -47.388 -53.522 -17.868 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 166286  
ATOM 2898d H1 TIP3W7415 -46.739 -52.845 -17.678 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 166287  
ATOM 2898e H2 TIP3W7415 -46.885 -54.232 -18.267 0.00 0.00 WT8  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 28990  
Duplicate atom serial number found: 28991  
Duplicate atom serial number found: 28992  
Duplicate atom serial number found: 28993  
Duplicate atom serial number found: 28994  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 166299  
ATOM 2899a H2 TIP3W7430 26.516 -13.147 -57.884 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 166300  
ATOM 2899b OH2 TIP3W7432 4.536 -9.892 -51.504 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 166301  
ATOM 2899c H1 TIP3W7432 5.485 -9.852 -51.387 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 166302  
ATOM 2899d H2 TIP3W7432 4.330 -9.138 -52.057 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 166303  
ATOM 2899e OH2 TIP3W7437 27.498 -23.866 -15.041 0.00 0.00 WT8  
  
1633 messages similar to the above omitted  
Duplicate atom serial number found: 29000  
Duplicate atom serial number found: 29001  
Duplicate atom serial number found: 29002  
Duplicate atom serial number found: 29003  
Duplicate atom serial number found: 29004  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 167947  
ATOM 2900a OH2 TIP3W8607 -55.220 22.362 38.610 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 167948  
ATOM 2900b H1 TIP3W8607 -55.743 22.797 39.283 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 167949  
ATOM 2900c H2 TIP3W8607 -54.375 22.812 38.635 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 167950  
ATOM 2900d OH2 TIP3W8608 -26.412 17.462 -2.961 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 167951  
ATOM 2900e H1 TIP3W8608 -26.957 17.960 -2.351 0.00 0.00 WT8  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 29010  
Duplicate atom serial number found: 29011  
Duplicate atom serial number found: 29012  
Duplicate atom serial number found: 29013  
Duplicate atom serial number found: 29014  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 167963  
ATOM 2901a H1 TIP3W8616 -37.299 1.984 37.433 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 167964  
ATOM 2901b H2 TIP3W8616 -36.571 3.291 37.199 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 167965  
ATOM 2901c OH2 TIP3W8617 -20.855 45.972 -15.898 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 167966  
ATOM 2901d H1 TIP3W8617 -20.633 46.819 -16.286 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 167967  
ATOM 2901e H2 TIP3W8617 -20.214 45.854 -15.197 0.00 0.00 WT8  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 29020  
Duplicate atom serial number found: 29021  
Duplicate atom serial number found: 29022  
Duplicate atom serial number found: 29023  
Duplicate atom serial number found: 29024  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 167979  
ATOM 2902a H2 TIP3W8624 39.537 -18.491 -31.425 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 167980  
ATOM 2902b OH2 TIP3W8626 41.129 29.968 57.528 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 167981  
ATOM 2902c H1 TIP3W8626 41.016 29.557 56.671 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 167982  
ATOM 2902d H2 TIP3W8626 40.390 30.572 57.604 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 167983  
ATOM 2902e OH2 TIP3W8628 29.889 -7.919 28.893 0.00 0.00 WT8  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 29030  
Duplicate atom serial number found: 29031  
Duplicate atom serial number found: 29032  
Duplicate atom serial number found: 29033  
Duplicate atom serial number found: 29034  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 167995  
ATOM 2903a OH2 TIP3W8639 18.895 -13.227 -35.053 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 167996  
ATOM 2903b H1 TIP3W8639 19.749 -13.140 -34.630 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 167997  
ATOM 2903c H2 TIP3W8639 18.390 -12.480 -34.731 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 167998  
ATOM 2903d OH2 TIP3W8640 52.280 -39.451 1.127 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 167999  
ATOM 2903e H1 TIP3W8640 51.548 -39.295 0.530 0.00 0.00 WT8  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 29040  
Duplicate atom serial number found: 29041  
Duplicate atom serial number found: 29042  
Duplicate atom serial number found: 29043  
Duplicate atom serial number found: 29044  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 168011  
ATOM 2904a H1 TIP3W8647 -54.287 -53.164 -22.836 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 168012  
ATOM 2904b H2 TIP3W8647 -55.309 -52.425 -21.998 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 168013  
ATOM 2904c OH2 TIP3W8653 34.432 -46.089 -39.978 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 168014  
ATOM 2904d H1 TIP3W8653 34.843 -46.665 -39.333 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 168015  
ATOM 2904e H2 TIP3W8653 35.163 -45.738 -40.487 0.00 0.00 WT8  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 29050  
Duplicate atom serial number found: 29051  
Duplicate atom serial number found: 29052  
Duplicate atom serial number found: 29053  
Duplicate atom serial number found: 29054  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 168027  
ATOM 2905a H2 TIP3W8661 -27.284 -50.820 -60.150 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 168028  
ATOM 2905b OH2 TIP3W8662 -17.732 45.359 59.491 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 168029  
ATOM 2905c H1 TIP3W8662 -17.754 45.266 60.443 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 168030  
ATOM 2905d H2 TIP3W8662 -17.908 44.479 59.159 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 168031  
ATOM 2905e OH2 TIP3W8664 -26.298 -36.060 -14.063 0.00 0.00 WT8  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 29060  
Duplicate atom serial number found: 29061  
Duplicate atom serial number found: 29062  
Duplicate atom serial number found: 29063  
Duplicate atom serial number found: 29064  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 168043  
ATOM 2906a OH2 TIP3W8669 28.289 25.602 36.565 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 168044  
ATOM 2906b H1 TIP3W8669 28.936 25.871 35.912 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 168045  
ATOM 2906c H2 TIP3W8669 28.803 25.170 37.247 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 168046  
ATOM 2906d OH2 TIP3W8675 -6.252 -10.529 -12.579 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 168047  
ATOM 2906e H1 TIP3W8675 -6.602 -9.726 -12.192 0.00 0.00 WT8  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 29070  
Duplicate atom serial number found: 29071  
Duplicate atom serial number found: 29072  
Duplicate atom serial number found: 29073  
Duplicate atom serial number found: 29074  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 168059  
ATOM 2907a H1 TIP3W8680 -34.330 -43.299 -10.313 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 168060  
ATOM 2907b H2 TIP3W8680 -33.038 -42.895 -10.991 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 168061  
ATOM 2907c OH2 TIP3W8683 41.710 21.169 5.781 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 168062  
ATOM 2907d H1 TIP3W8683 42.398 21.373 6.415 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 168063  
ATOM 2907e H2 TIP3W8683 41.498 20.250 5.944 0.00 0.00 WT8  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 29080  
Duplicate atom serial number found: 29081  
Duplicate atom serial number found: 29082  
Duplicate atom serial number found: 29083  
Duplicate atom serial number found: 29084  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 168075  
ATOM 2908a H2 TIP3W8689 -23.253 -51.291 -33.186 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 168076  
ATOM 2908b OH2 TIP3W8690 -23.669 -32.014 14.961 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 168077  
ATOM 2908c H1 TIP3W8690 -22.769 -32.266 15.168 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 168078  
ATOM 2908d H2 TIP3W8690 -23.751 -32.169 14.020 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 168079  
ATOM 2908e OH2 TIP3W8691 25.947 8.359 -59.031 0.00 0.00 WT8  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 29090  
Duplicate atom serial number found: 29091  
Duplicate atom serial number found: 29092  
Duplicate atom serial number found: 29093  
Duplicate atom serial number found: 29094  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 168091  
ATOM 2909a OH2 TIP3W8701 -7.906 56.818 -11.336 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 168092  
ATOM 2909b H1 TIP3W8701 -8.539 57.334 -10.838 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 168093  
ATOM 2909c H2 TIP3W8701 -8.264 55.930 -11.332 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 168094  
ATOM 2909d OH2 TIP3W8702 -12.092 -34.937 24.979 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 168095  
ATOM 2909e H1 TIP3W8702 -12.701 -34.253 24.703 0.00 0.00 WT8  
  
97 messages similar to the above omitted  
Duplicate atom serial number found: 29100  
Duplicate atom serial number found: 29101  
Duplicate atom serial number found: 29102  
Duplicate atom serial number found: 29103  
Duplicate atom serial number found: 29104  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 168203  
ATOM 2910a H1 TIP3W8836 36.023 16.738 -19.713 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 168204  
ATOM 2910b H2 TIP3W8836 35.714 18.190 -20.007 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 168205  
ATOM 2910c OH2 TIP3W8838 23.726 47.961 10.541 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 168206  
ATOM 2910d H1 TIP3W8838 24.332 48.676 10.345 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 168207  
ATOM 2910e H2 TIP3W8838 23.810 47.365 9.796 0.00 0.00 WT8  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 29110  
Duplicate atom serial number found: 29111  
Duplicate atom serial number found: 29112  
Duplicate atom serial number found: 29113  
Duplicate atom serial number found: 29114  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 168219  
ATOM 2911a H2 TIP3W8848 7.785 10.492 -45.092 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 168220  
ATOM 2911b OH2 TIP3W8849 -23.043 -33.788 1.885 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 168221  
ATOM 2911c H1 TIP3W8849 -22.135 -33.890 1.599 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 168222  
ATOM 2911d H2 TIP3W8849 -23.475 -33.343 1.156 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 168223  
ATOM 2911e OH2 TIP3W8850 16.627 -56.631 -17.640 0.00 0.00 WT8  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 29120  
Duplicate atom serial number found: 29121  
Duplicate atom serial number found: 29122  
Duplicate atom serial number found: 29123  
Duplicate atom serial number found: 29124  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 168235  
ATOM 2912a OH2 TIP3W8858 36.522 -33.833 -37.104 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 168236  
ATOM 2912b H1 TIP3W8858 36.271 -33.983 -38.016 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 168237  
ATOM 2912c H2 TIP3W8858 36.326 -34.659 -36.663 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 168238  
ATOM 2912d OH2 TIP3W8865 34.157 25.624 -15.982 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 168239  
ATOM 2912e H1 TIP3W8865 33.723 24.818 -15.702 0.00 0.00 WT8  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 29130  
Duplicate atom serial number found: 29131  
Duplicate atom serial number found: 29132  
Duplicate atom serial number found: 29133  
Duplicate atom serial number found: 29134  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 168251  
ATOM 2913a H1 TIP3W8870 22.057 -32.495 -12.094 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 168252  
ATOM 2913b H2 TIP3W8870 21.344 -31.315 -11.471 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 168253  
ATOM 2913c OH2 TIP3W8874 11.809 -48.849 -47.331 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 168254  
ATOM 2913d H1 TIP3W8874 11.587 -48.183 -47.982 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 168255  
ATOM 2913e H2 TIP3W8874 11.766 -48.390 -46.493 0.00 0.00 WT8  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 29140  
Duplicate atom serial number found: 29141  
Duplicate atom serial number found: 29142  
Duplicate atom serial number found: 29143  
Duplicate atom serial number found: 29144  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 168267  
ATOM 2914a H2 TIP3W8885 42.358 22.925 8.134 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 168268  
ATOM 2914b OH2 TIP3W8886 -54.958 -36.100 49.903 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 168269  
ATOM 2914c H1 TIP3W8886 -55.769 -36.380 49.476 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 168270  
ATOM 2914d H2 TIP3W8886 -54.572 -36.910 50.237 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 168271  
ATOM 2914e OH2 TIP3W8887 -32.519 -13.878 47.027 0.00 0.00 WT8  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 29150  
Duplicate atom serial number found: 29151  
Duplicate atom serial number found: 29152  
Duplicate atom serial number found: 29153  
Duplicate atom serial number found: 29154  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 168283  
ATOM 2915a OH2 TIP3W8895 11.431 9.578 -18.713 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 168284  
ATOM 2915b H1 TIP3W8895 11.832 9.501 -17.848 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 168285  
ATOM 2915c H2 TIP3W8895 10.961 10.412 -18.685 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 168286  
ATOM 2915d OH2 TIP3W8896 31.389 29.161 -61.216 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 168287  
ATOM 2915e H1 TIP3W8896 30.824 28.698 -60.597 0.00 0.00 WT8  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 29160  
Duplicate atom serial number found: 29161  
Duplicate atom serial number found: 29162  
Duplicate atom serial number found: 29163  
Duplicate atom serial number found: 29164  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 168299  
ATOM 2916a H1 TIP3W8905 35.854 -58.341 -53.805 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 168300  
ATOM 2916b H2 TIP3W8905 35.772 -59.831 -54.062 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 168301  
ATOM 2916c OH2 TIP3W8908 18.056 20.369 19.395 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 168302  
ATOM 2916d H1 TIP3W8908 17.154 20.346 19.077 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 168303  
ATOM 2916e H2 TIP3W8908 18.054 19.800 20.165 0.00 0.00 WT8  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 29170  
Duplicate atom serial number found: 29171  
Duplicate atom serial number found: 29172  
Duplicate atom serial number found: 29173  
Duplicate atom serial number found: 29174  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 168315  
ATOM 2917a H2 TIP3W8922 22.349 10.553 -41.592 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 168316  
ATOM 2917b OH2 TIP3W8926 48.342 16.658 59.786 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 168317  
ATOM 2917c H1 TIP3W8926 48.275 16.764 60.735 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 168318  
ATOM 2917d H2 TIP3W8926 49.266 16.813 59.591 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 168319  
ATOM 2917e OH2 TIP3W8927 -5.978 47.202 54.234 0.00 0.00 WT8  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 29180  
Duplicate atom serial number found: 29181  
Duplicate atom serial number found: 29182  
Duplicate atom serial number found: 29183  
Duplicate atom serial number found: 29184  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 168331  
ATOM 2918a OH2 TIP3W8933 34.675 58.066 15.920 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 168332  
ATOM 2918b H1 TIP3W8933 34.049 57.451 15.537 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 168333  
ATOM 2918c H2 TIP3W8933 35.309 58.229 15.221 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 168334  
ATOM 2918d OH2 TIP3W8935 -21.352 10.793 12.833 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 168335  
ATOM 2918e H1 TIP3W8935 -21.560 9.859 12.822 0.00 0.00 WT8  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 29190  
Duplicate atom serial number found: 29191  
Duplicate atom serial number found: 29192  
Duplicate atom serial number found: 29193  
Duplicate atom serial number found: 29194  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 168347  
ATOM 2919a H1 TIP3W8939 27.331 8.418 7.762 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 168348  
ATOM 2919b H2 TIP3W8939 26.136 7.526 8.025 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 168349  
ATOM 2919c OH2 TIP3W8940 15.295 25.533 31.808 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 168350  
ATOM 2919d H1 TIP3W8940 16.182 25.224 31.624 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 168351  
ATOM 2919e H2 TIP3W8940 15.391 26.476 31.939 0.00 0.00 WT8  
  
97 messages similar to the above omitted  
Duplicate atom serial number found: 29200  
Duplicate atom serial number found: 29201  
Duplicate atom serial number found: 29202  
Duplicate atom serial number found: 29203  
Duplicate atom serial number found: 29204  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 168459  
ATOM 2920a H2 TIP3W9023 27.836 52.425 23.041 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 168460  
ATOM 2920b OH2 TIP3W9024 51.113 -9.631 33.387 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 168461  
ATOM 2920c H1 TIP3W9024 51.912 -9.371 32.930 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 168462  
ATOM 2920d H2 TIP3W9024 50.403 -9.359 32.805 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 168463  
ATOM 2920e OH2 TIP3W9028 36.426 25.593 39.716 0.00 0.00 WT8  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 29210  
Duplicate atom serial number found: 29211  
Duplicate atom serial number found: 29212  
Duplicate atom serial number found: 29213  
Duplicate atom serial number found: 29214  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 168475  
ATOM 2921a OH2 TIP3W9037 -18.389 37.889 -24.584 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 168476  
ATOM 2921b H1 TIP3W9037 -18.236 37.307 -25.328 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 168477  
ATOM 2921c H2 TIP3W9037 -18.727 38.695 -24.976 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 168478  
ATOM 2921d OH2 TIP3W9039 -29.290 42.173 -28.559 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 168479  
ATOM 2921e H1 TIP3W9039 -29.328 43.129 -28.524 0.00 0.00 WT8  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 29220  
Duplicate atom serial number found: 29221  
Duplicate atom serial number found: 29222  
Duplicate atom serial number found: 29223  
Duplicate atom serial number found: 29224  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 168491  
ATOM 2922a H1 TIP3W9044 35.071 19.908 31.343 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 168492  
ATOM 2922b H2 TIP3W9044 36.364 20.602 30.971 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 168493  
ATOM 2922c OH2 TIP3W9045 25.002 46.151 45.420 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 168494  
ATOM 2922d H1 TIP3W9045 25.878 46.431 45.154 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 168495  
ATOM 2922e H2 TIP3W9045 24.977 46.306 46.364 0.00 0.00 WT8  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 29230  
Duplicate atom serial number found: 29231  
Duplicate atom serial number found: 29232  
Duplicate atom serial number found: 29233  
Duplicate atom serial number found: 29234  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 168507  
ATOM 2923a H2 TIP3W9054 28.929 -41.763 2.661 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 168508  
ATOM 2923b OH2 TIP3W9055 26.873 -36.903 19.407 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 168509  
ATOM 2923c H1 TIP3W9055 27.328 -36.505 20.149 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 168510  
ATOM 2923d H2 TIP3W9055 27.553 -37.020 18.743 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 168511  
ATOM 2923e OH2 TIP3W9056 -56.859 -25.556 7.519 0.00 0.00 WT8  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 29240  
Duplicate atom serial number found: 29241  
Duplicate atom serial number found: 29242  
Duplicate atom serial number found: 29243  
Duplicate atom serial number found: 29244  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 168523  
ATOM 2924a OH2 TIP3W9063 46.619 14.144 44.764 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 168524  
ATOM 2924b H1 TIP3W9063 46.402 14.716 44.028 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 168525  
ATOM 2924c H2 TIP3W9063 46.363 14.644 45.540 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 168526  
ATOM 2924d OH2 TIP3W9064 22.941 -56.237 24.579 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 168527  
ATOM 2924e H1 TIP3W9064 22.635 -55.544 23.995 0.00 0.00 WT8  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 29250  
Duplicate atom serial number found: 29251  
Duplicate atom serial number found: 29252  
Duplicate atom serial number found: 29253  
Duplicate atom serial number found: 29254  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 168539  
ATOM 2925a H1 TIP3W9075 -2.926 -22.466 60.551 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 168540  
ATOM 2925b H2 TIP3W9075 -4.133 -21.593 60.280 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 168541  
ATOM 2925c OH2 TIP3W9076 -40.160 -46.079 -41.654 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 168542  
ATOM 2925d H1 TIP3W9076 -40.895 -46.612 -41.350 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 168543  
ATOM 2925e H2 TIP3W9076 -40.530 -45.204 -41.771 0.00 0.00 WT8  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 29260  
Duplicate atom serial number found: 29261  
Duplicate atom serial number found: 29262  
Duplicate atom serial number found: 29263  
Duplicate atom serial number found: 29264  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 168555  
ATOM 2926a H2 TIP3W9084 38.335 -56.489 -53.980 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 168556  
ATOM 2926b OH2 TIP3W9085 6.563 -27.802 40.406 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 168557  
ATOM 2926c H1 TIP3W9085 5.646 -27.538 40.325 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 168558  
ATOM 2926d H2 TIP3W9085 6.663 -28.043 41.327 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 168559  
ATOM 2926e OH2 TIP3W9093 -13.966 -19.168 38.423 0.00 0.00 WT8  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 29270  
Duplicate atom serial number found: 29271  
Duplicate atom serial number found: 29272  
Duplicate atom serial number found: 29273  
Duplicate atom serial number found: 29274  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 168571  
ATOM 2927a OH2 TIP3W9102 4.614 48.227 0.920 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 168572  
ATOM 2927b H1 TIP3W9102 4.049 47.628 0.433 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 168573  
ATOM 2927c H2 TIP3W9102 4.301 48.171 1.823 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 168574  
ATOM 2927d OH2 TIP3W9105 53.811 -17.906 -46.107 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 168575  
ATOM 2927e H1 TIP3W9105 53.074 -18.234 -46.623 0.00 0.00 WT8  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 29280  
Duplicate atom serial number found: 29281  
Duplicate atom serial number found: 29282  
Duplicate atom serial number found: 29283  
Duplicate atom serial number found: 29284  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 168587  
ATOM 2928a H1 TIP3W9110 54.446 4.450 55.136 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 168588  
ATOM 2928b H2 TIP3W9110 55.769 3.730 54.986 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 168589  
ATOM 2928c OH2 TIP3W9116 -56.704 2.921 -11.580 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 168590  
ATOM 2928d H1 TIP3W9116 -56.856 2.518 -12.435 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 168591  
ATOM 2928e H2 TIP3W9116 -57.358 3.618 -11.523 0.00 0.00 WT8  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 29290  
Duplicate atom serial number found: 29291  
Duplicate atom serial number found: 29292  
Duplicate atom serial number found: 29293  
Duplicate atom serial number found: 29294  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 168603  
ATOM 2929a H2 TIP3W9128 -12.878 7.383 -59.181 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 168604  
ATOM 2929b OH2 TIP3W9129 -49.692 -15.213 -4.458 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 168605  
ATOM 2929c H1 TIP3W9129 -49.095 -14.933 -3.764 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 168606  
ATOM 2929d H2 TIP3W9129 -49.118 -15.512 -5.163 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 168607  
ATOM 2929e OH2 TIP3W9133 19.997 -10.673 41.761 0.00 0.00 WT8  
  
97 messages similar to the above omitted  
Duplicate atom serial number found: 29300  
Duplicate atom serial number found: 29301  
Duplicate atom serial number found: 29302  
Duplicate atom serial number found: 29303  
Duplicate atom serial number found: 29304  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 168715  
ATOM 2930a OH2 TIP3W9250 -40.135 58.139 15.729 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 168716  
ATOM 2930b H1 TIP3W9250 -41.086 58.247 15.742 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 168717  
ATOM 2930c H2 TIP3W9250 -39.791 59.033 15.733 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 168718  
ATOM 2930d OH2 TIP3W9251 55.111 17.428 57.403 0.00 0.00 WT8  
  
Ignored bad PDB record found on line 168719  
ATOM 2930e H1 TIP3W9251 55.637 17.162 56.649 0.00 0.00 WT8  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 29310  
Duplicate atom serial number found: 29311  
Duplicate atom serial number found: 29312  
Duplicate atom serial number found: 29313  
Duplicate atom serial number found: 29314  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 168731  
ATOM 2931a SOD SOD I 8 -29.183 -82.048 -62.300 0.00 0.00 ION  
  
Ignored bad PDB record found on line 168732  
ATOM 2931b SOD SOD I 9 -28.130 -31.598 23.804 0.00 0.00 ION  
  
Ignored bad PDB record found on line 168733  
ATOM 2931c SOD SOD I 10 -31.018 -4.053 42.459 0.00 0.00 ION  
  
Ignored bad PDB record found on line 168734  
ATOM 2931d SOD SOD I 11 -79.243 -3.300 -21.442 0.00 0.00 ION  
  
Ignored bad PDB record found on line 168735  
ATOM 2931e SOD SOD I 12 1.810 54.767 -17.745 0.00 0.00 ION  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 29320  
Duplicate atom serial number found: 29321  
Duplicate atom serial number found: 29322  
Duplicate atom serial number found: 29323  
Duplicate atom serial number found: 29324  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 168747  
ATOM 2932a SOD SOD I 24 50.003 -56.924 0.318 0.00 0.00 ION  
  
Ignored bad PDB record found on line 168748  
ATOM 2932b SOD SOD I 25 -40.177 -72.932 -33.760 0.00 0.00 ION  
  
Ignored bad PDB record found on line 168749  
ATOM 2932c SOD SOD I 26 22.204 -65.275 14.676 0.00 0.00 ION  
  
Ignored bad PDB record found on line 168750  
ATOM 2932d SOD SOD I 27 15.785 26.620 79.626 0.00 0.00 ION  
  
Ignored bad PDB record found on line 168751  
ATOM 2932e SOD SOD I 28 37.594 14.990 -12.379 0.00 0.00 ION  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 29330  
Duplicate atom serial number found: 29331  
Duplicate atom serial number found: 29332  
Duplicate atom serial number found: 29333  
Duplicate atom serial number found: 29334  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 168763  
ATOM 2933a SOD SOD I 40 12.719 -94.451 -5.472 0.00 0.00 ION  
  
Ignored bad PDB record found on line 168764  
ATOM 2933b SOD SOD I 41 -17.609 -31.131 74.441 0.00 0.00 ION  
  
Ignored bad PDB record found on line 168765  
ATOM 2933c SOD SOD I 42 28.695 -12.922 5.955 0.00 0.00 ION  
  
Ignored bad PDB record found on line 168766  
ATOM 2933d SOD SOD I 43 -50.755 -1.540 9.163 0.00 0.00 ION  
  
Ignored bad PDB record found on line 168767  
ATOM 2933e SOD SOD I 44 -45.334 38.841 0.131 0.00 0.00 ION  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 29340  
Duplicate atom serial number found: 29341  
Duplicate atom serial number found: 29342  
Duplicate atom serial number found: 29343  
Duplicate atom serial number found: 29344  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 168779  
ATOM 2934a SOD SOD I 56 5.924 -69.809 2.175 0.00 0.00 ION  
  
Ignored bad PDB record found on line 168780  
ATOM 2934b SOD SOD I 57 86.510 -36.983 63.239 0.00 0.00 ION  
  
Ignored bad PDB record found on line 168781  
ATOM 2934c SOD SOD I 58 -42.657 16.784 -36.267 0.00 0.00 ION  
  
Ignored bad PDB record found on line 168782  
ATOM 2934d SOD SOD I 59 8.541 18.840 -14.556 0.00 0.00 ION  
  
Ignored bad PDB record found on line 168783  
ATOM 2934e SOD SOD I 60 1.541 2.933 -30.072 0.00 0.00 ION  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 29350  
Duplicate atom serial number found: 29351  
Duplicate atom serial number found: 29352  
Duplicate atom serial number found: 29353  
Duplicate atom serial number found: 29354  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 168795  
ATOM 2935a SOD SOD I 72 -11.754 24.528 -52.615 0.00 0.00 ION  
  
Ignored bad PDB record found on line 168796  
ATOM 2935b SOD SOD I 73 -77.716 -53.703 10.487 0.00 0.00 ION  
  
Ignored bad PDB record found on line 168797  
ATOM 2935c SOD SOD I 74 -46.476 0.024 -21.122 0.00 0.00 ION  
  
Ignored bad PDB record found on line 168798  
ATOM 2935d SOD SOD I 75 -2.700 -22.521 -15.555 0.00 0.00 ION  
  
Ignored bad PDB record found on line 168799  
ATOM 2935e SOD SOD I 76 -41.122 2.436 13.396 0.00 0.00 ION  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 29360  
Duplicate atom serial number found: 29361  
Duplicate atom serial number found: 29362  
Duplicate atom serial number found: 29363  
Duplicate atom serial number found: 29364  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 168811  
ATOM 2936a CLA CLA I 88 -1.747 -28.085 -4.910 0.00 0.00 ION  
  
Ignored bad PDB record found on line 168812  
ATOM 2936b CLA CLA I 89 -41.755 -42.136 -5.863 0.00 0.00 ION  
  
Ignored bad PDB record found on line 168813  
ATOM 2936c CLA CLA I 90 -0.884 18.591 -25.616 0.00 0.00 ION  
  
Ignored bad PDB record found on line 168814  
ATOM 2936d CLA CLA I 91 72.798 21.270 13.050 0.00 0.00 ION  
  
Ignored bad PDB record found on line 168815  
ATOM 2936e CLA CLA I 92 29.505 49.590 -28.344 0.00 0.00 ION  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 29370  
Duplicate atom serial number found: 29371  
Duplicate atom serial number found: 29372  
Duplicate atom serial number found: 29373  
Duplicate atom serial number found: 29374  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 168827  
ATOM 2937a CLA CLA I 104 -38.028 -3.916 -38.664 0.00 0.00 ION  
  
Ignored bad PDB record found on line 168828  
ATOM 2937b CLA CLA I 105 55.232 25.976 -20.737 0.00 0.00 ION  
  
Ignored bad PDB record found on line 168829  
ATOM 2937c CLA CLA I 106 12.533 43.596 41.043 0.00 0.00 ION  
  
Ignored bad PDB record found on line 168830  
ATOM 2937d CLA CLA I 107 42.905 -24.300 -39.868 0.00 0.00 ION  
  
Ignored bad PDB record found on line 168831  
ATOM 2937e CLA CLA I 108 -14.080 -12.959 0.070 0.00 0.00 ION  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 29380  
Duplicate atom serial number found: 29381  
Duplicate atom serial number found: 29382  
Duplicate atom serial number found: 29383  
Duplicate atom serial number found: 29384  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 168843  
ATOM 2938a CLA CLA I 120 -0.772 -12.958 29.589 0.00 0.00 ION  
  
Ignored bad PDB record found on line 168844  
ATOM 2938b CLA CLA I 121 -42.564 4.940 33.795 0.00 0.00 ION  
  
Ignored bad PDB record found on line 168845  
ATOM 2938c CLA CLA I 122 -25.480 -50.160 -21.647 0.00 0.00 ION  
  
Ignored bad PDB record found on line 168846  
ATOM 2938d CLA CLA I 123 -20.034 15.741 81.178 0.00 0.00 ION  
  
Ignored bad PDB record found on line 168847  
ATOM 2938e CLA CLA I 124 27.676 -64.005 11.630 0.00 0.00 ION  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 29390  
Duplicate atom serial number found: 29391  
Duplicate atom serial number found: 29392  
Duplicate atom serial number found: 29393  
Duplicate atom serial number found: 29394  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 168859  
ATOM 2939a CLA CLA I 136 -8.632 -24.040 -54.168 0.00 0.00 ION  
  
Ignored bad PDB record found on line 168860  
ATOM 2939b CLA CLA I 137 -83.557 48.270 6.970 0.00 0.00 ION  
  
Ignored bad PDB record found on line 168861  
ATOM 2939c CLA CLA I 138 14.103 -20.877 23.225 0.00 0.00 ION  
  
Ignored bad PDB record found on line 168862  
ATOM 2939d CLA CLA I 139 -29.141 -0.754 45.108 0.00 0.00 ION  
  
Ignored bad PDB record found on line 168863  
ATOM 2939e CLA CLA I 140 -6.755 12.887 20.197 0.00 0.00 ION  
  
16 messages similar to the above omitted  
  
Chain information for mitoneet-eq.pdb #2  
---  
Chain | Description  
P | No description available  
  

> volume #1 level -0.0002 level 0

> volume #1 level -0.0002 level 7.899e-06

> close #1

> open /Volumes/T7/mitoneet/density.dx

Opened density.dx as #1, grid size 99,82,37, pixel 1, shown at level
-0.000202,0.000202, step 1, values float32  

> open /Volumes/T7/mitoneet/density.dx

Opened density.dx as #3, grid size 99,82,37, pixel 1, shown at level
-0.000202,0.000202, step 1, values float32  

> select add #1

3 models selected  

> select subtract #1

Nothing selected  

> hide #!1 models

> hide #!3 models

> show #!3 models

> close #1

Traceback (most recent call last):  
File
"/Applications/ChimeraX-1.7.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-
packages/chimerax/map_data/readarray.py", line 170, in read_float_lines  
values = [float(x) for x in fields]  
^^^^^^^^^^^^^^^^^^^^^^^^^^  
File
"/Applications/ChimeraX-1.7.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-
packages/chimerax/map_data/readarray.py", line 170, in <listcomp>  
values = [float(x) for x in fields]  
^^^^^^^^  
ValueError: could not convert string to float: b'attribute'  
  
During handling of the above exception, another exception occurred:  
  
Traceback (most recent call last):  
File
"/Applications/ChimeraX-1.7.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-
packages/chimerax/map/volume_viewer.py", line 2165, in mousePressEvent  
cb(event)  
File
"/Applications/ChimeraX-1.7.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-
packages/chimerax/map/histogram.py", line 366, in select_marker_cb  
cb(self.markers[i])  
File
"/Applications/ChimeraX-1.7.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-
packages/chimerax/map/volume_viewer.py", line 2234, in selected_marker_cb  
self.select_data_cb()  
File
"/Applications/ChimeraX-1.7.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-
packages/chimerax/map/volume_viewer.py", line 2228, in select_data_cb  
d.redisplay_needed_cb()  
File
"/Applications/ChimeraX-1.7.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-
packages/chimerax/map/volume_viewer.py", line 305, in redisplay_needed_cb  
self.redisplay_needed()  
File
"/Applications/ChimeraX-1.7.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-
packages/chimerax/map/volume_viewer.py", line 331, in redisplay_needed  
self.show_using_dialog_settings(self.active_volume)  
File
"/Applications/ChimeraX-1.7.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-
packages/chimerax/map/volume_viewer.py", line 373, in
show_using_dialog_settings  
dr.show()  
File
"/Applications/ChimeraX-1.7.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-
packages/chimerax/map/volume.py", line 773, in show  
self._keep_displayed_data = self.displayed_matrices() if show else None  
^^^^^^^^^^^^^^^^^^^^^^^^^  
File
"/Applications/ChimeraX-1.7.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-
packages/chimerax/map/volume.py", line 1769, in displayed_matrices  
matrices.append(self.matrix(read_matrix))  
^^^^^^^^^^^^^^^^^^^^^^^^  
File
"/Applications/ChimeraX-1.7.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-
packages/chimerax/map/volume.py", line 1252, in matrix  
m = self.region_matrix(r, read_matrix)  
^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^  
File
"/Applications/ChimeraX-1.7.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-
packages/chimerax/map/volume.py", line 1276, in region_matrix  
m = d.matrix(origin, size, step, progress, from_cache_only)  
^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^  
File
"/Applications/ChimeraX-1.7.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-
packages/chimerax/map_data/griddata.py", line 317, in matrix  
m = self.read_matrix(ijk_origin, ijk_size, ijk_step, progress)  
^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^  
File
"/Applications/ChimeraX-1.7.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-
packages/chimerax/map_data/apbs/apbs_grid.py", line 39, in read_matrix  
matrix = self.apbs_data.matrix(progress)  
^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^  
File
"/Applications/ChimeraX-1.7.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-
packages/chimerax/map_data/apbs/apbs_format.py", line 124, in matrix  
data = read_text_floats(self.path, self.data_offset, self.grid_size,  
^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^  
File
"/Applications/ChimeraX-1.7.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-
packages/chimerax/map_data/readarray.py", line 132, in read_text_floats  
read_float_lines(f, array, line_format, progress)  
File
"/Applications/ChimeraX-1.7.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-
packages/chimerax/map_data/readarray.py", line 173, in read_float_lines  
raise SyntaxError(msg)  
SyntaxError: Bad number format in /Volumes/T7/mitoneet/density.dx, line  
b'attribute "dep" string "positions"\n'  
  
SyntaxError: Bad number format in /Volumes/T7/mitoneet/density.dx, line  
b'attribute "dep" string "positions"\n'  
  
File
"/Applications/ChimeraX-1.7.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-
packages/chimerax/map_data/readarray.py", line 173, in read_float_lines  
raise SyntaxError(msg)  
  
See log for complete Python traceback.  
  
Traceback (most recent call last):  
File
"/Applications/ChimeraX-1.7.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-
packages/chimerax/map_data/readarray.py", line 170, in read_float_lines  
values = [float(x) for x in fields]  
^^^^^^^^^^^^^^^^^^^^^^^^^^  
File
"/Applications/ChimeraX-1.7.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-
packages/chimerax/map_data/readarray.py", line 170, in <listcomp>  
values = [float(x) for x in fields]  
^^^^^^^^  
ValueError: could not convert string to float: b'attribute'  
  
During handling of the above exception, another exception occurred:  
  
Traceback (most recent call last):  
File
"/Applications/ChimeraX-1.7.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-
packages/chimerax/map/volume_viewer.py", line 2167, in mouseMoveEvent  
self._drag(event)  
File
"/Applications/ChimeraX-1.7.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-
packages/chimerax/map/volume_viewer.py", line 2171, in _drag  
cb(event)  
File
"/Applications/ChimeraX-1.7.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-
packages/chimerax/map/histogram.py", line 416, in move_marker_cb  
cb(m)  
File
"/Applications/ChimeraX-1.7.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-
packages/chimerax/map/volume_viewer.py", line 2242, in moved_marker_cb  
self.select_data_cb() # Causes redisplay using GUI settings  
^^^^^^^^^^^^^^^^^^^^^  
File
"/Applications/ChimeraX-1.7.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-
packages/chimerax/map/volume_viewer.py", line 2228, in select_data_cb  
d.redisplay_needed_cb()  
File
"/Applications/ChimeraX-1.7.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-
packages/chimerax/map/volume_viewer.py", line 305, in redisplay_needed_cb  
self.redisplay_needed()  
File
"/Applications/ChimeraX-1.7.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-
packages/chimerax/map/volume_viewer.py", line 331, in redisplay_needed  
self.show_using_dialog_settings(self.active_volume)  
File
"/Applications/ChimeraX-1.7.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-
packages/chimerax/map/volume_viewer.py", line 373, in
show_using_dialog_settings  
dr.show()  
File
"/Applications/ChimeraX-1.7.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-
packages/chimerax/map/volume.py", line 773, in show  
self._keep_displayed_data = self.displayed_matrices() if show else None  
^^^^^^^^^^^^^^^^^^^^^^^^^  
File
"/Applications/ChimeraX-1.7.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-
packages/chimerax/map/volume.py", line 1769, in displayed_matrices  
matrices.append(self.matrix(read_matrix))  
^^^^^^^^^^^^^^^^^^^^^^^^  
File
"/Applications/ChimeraX-1.7.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-
packages/chimerax/map/volume.py", line 1252, in matrix  
m = self.region_matrix(r, read_matrix)  
^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^  
File
"/Applications/ChimeraX-1.7.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-
packages/chimerax/map/volume.py", line 1276, in region_matrix  
m = d.matrix(origin, size, step, progress, from_cache_only)  
^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^  
File
"/Applications/ChimeraX-1.7.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-
packages/chimerax/map_data/griddata.py", line 317, in matrix  
m = self.read_matrix(ijk_origin, ijk_size, ijk_step, progress)  
^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^  
File
"/Applications/ChimeraX-1.7.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-
packages/chimerax/map_data/apbs/apbs_grid.py", line 39, in read_matrix  
matrix = self.apbs_data.matrix(progress)  
^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^  
File
"/Applications/ChimeraX-1.7.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-
packages/chimerax/map_data/apbs/apbs_format.py", line 124, in matrix  
data = read_text_floats(self.path, self.data_offset, self.grid_size,  
^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^  
File
"/Applications/ChimeraX-1.7.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-
packages/chimerax/map_data/readarray.py", line 132, in read_text_floats  
read_float_lines(f, array, line_format, progress)  
File
"/Applications/ChimeraX-1.7.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-
packages/chimerax/map_data/readarray.py", line 173, in read_float_lines  
raise SyntaxError(msg)  
SyntaxError: Bad number format in /Volumes/T7/mitoneet/density.dx, line  
b'attribute "dep" string "positions"\n'  
  
SyntaxError: Bad number format in /Volumes/T7/mitoneet/density.dx, line  
b'attribute "dep" string "positions"\n'  
  
File
"/Applications/ChimeraX-1.7.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-
packages/chimerax/map_data/readarray.py", line 173, in read_float_lines  
raise SyntaxError(msg)  
  
See log for complete Python traceback.  
  
Traceback (most recent call last):  
File
"/Applications/ChimeraX-1.7.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-
packages/chimerax/map_data/readarray.py", line 170, in read_float_lines  
values = [float(x) for x in fields]  
^^^^^^^^^^^^^^^^^^^^^^^^^^  
File
"/Applications/ChimeraX-1.7.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-
packages/chimerax/map_data/readarray.py", line 170, in <listcomp>  
values = [float(x) for x in fields]  
^^^^^^^^  
ValueError: could not convert string to float: b'attribute'  
  
During handling of the above exception, another exception occurred:  
  
Traceback (most recent call last):  
File
"/Applications/ChimeraX-1.7.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-
packages/chimerax/map/volume_viewer.py", line 2167, in mouseMoveEvent  
self._drag(event)  
File
"/Applications/ChimeraX-1.7.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-
packages/chimerax/map/volume_viewer.py", line 2171, in _drag  
cb(event)  
File
"/Applications/ChimeraX-1.7.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-
packages/chimerax/map/histogram.py", line 416, in move_marker_cb  
cb(m)  
File
"/Applications/ChimeraX-1.7.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-
packages/chimerax/map/volume_viewer.py", line 2242, in moved_marker_cb  
self.select_data_cb() # Causes redisplay using GUI settings  
^^^^^^^^^^^^^^^^^^^^^  
File
"/Applications/ChimeraX-1.7.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-
packages/chimerax/map/volume_viewer.py", line 2228, in select_data_cb  
d.redisplay_needed_cb()  
File
"/Applications/ChimeraX-1.7.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-
packages/chimerax/map/volume_viewer.py", line 305, in redisplay_needed_cb  
self.redisplay_needed()  
File
"/Applications/ChimeraX-1.7.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-
packages/chimerax/map/volume_viewer.py", line 331, in redisplay_needed  
self.show_using_dialog_settings(self.active_volume)  
File
"/Applications/ChimeraX-1.7.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-
packages/chimerax/map/volume_viewer.py", line 373, in
show_using_dialog_settings  
dr.show()  
File
"/Applications/ChimeraX-1.7.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-
packages/chimerax/map/volume.py", line 773, in show  
self._keep_displayed_data = self.displayed_matrices() if show else None  
^^^^^^^^^^^^^^^^^^^^^^^^^  
File
"/Applications/ChimeraX-1.7.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-
packages/chimerax/map/volume.py", line 1769, in displayed_matrices  
matrices.append(self.matrix(read_matrix))  
^^^^^^^^^^^^^^^^^^^^^^^^  
File
"/Applications/ChimeraX-1.7.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-
packages/chimerax/map/volume.py", line 1252, in matrix  
m = self.region_matrix(r, read_matrix)  
^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^  
File
"/Applications/ChimeraX-1.7.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-
packages/chimerax/map/volume.py", line 1276, in region_matrix  
m = d.matrix(origin, size, step, progress, from_cache_only)  
^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^  
File
"/Applications/ChimeraX-1.7.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-
packages/chimerax/map_data/griddata.py", line 317, in matrix  
m = self.read_matrix(ijk_origin, ijk_size, ijk_step, progress)  
^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^  
File
"/Applications/ChimeraX-1.7.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-
packages/chimerax/map_data/apbs/apbs_grid.py", line 39, in read_matrix  
matrix = self.apbs_data.matrix(progress)  
^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^  
File
"/Applications/ChimeraX-1.7.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-
packages/chimerax/map_data/apbs/apbs_format.py", line 124, in matrix  
data = read_text_floats(self.path, self.data_offset, self.grid_size,  
^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^  
File
"/Applications/ChimeraX-1.7.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-
packages/chimerax/map_data/readarray.py", line 132, in read_text_floats  
read_float_lines(f, array, line_format, progress)  
File
"/Applications/ChimeraX-1.7.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-
packages/chimerax/map_data/readarray.py", line 173, in read_float_lines  
raise SyntaxError(msg)  
SyntaxError: Bad number format in /Volumes/T7/mitoneet/density.dx, line  
b'attribute "dep" string "positions"\n'  
  
SyntaxError: Bad number format in /Volumes/T7/mitoneet/density.dx, line  
b'attribute "dep" string "positions"\n'  
  
File
"/Applications/ChimeraX-1.7.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-
packages/chimerax/map_data/readarray.py", line 173, in read_float_lines  
raise SyntaxError(msg)  
  
See log for complete Python traceback.  
  
Traceback (most recent call last):  
File
"/Applications/ChimeraX-1.7.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-
packages/chimerax/map_data/readarray.py", line 170, in read_float_lines  
values = [float(x) for x in fields]  
^^^^^^^^^^^^^^^^^^^^^^^^^^  
File
"/Applications/ChimeraX-1.7.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-
packages/chimerax/map_data/readarray.py", line 170, in <listcomp>  
values = [float(x) for x in fields]  
^^^^^^^^  
ValueError: could not convert string to float: b'attribute'  
  
During handling of the above exception, another exception occurred:  
  
Traceback (most recent call last):  
File
"/Applications/ChimeraX-1.7.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-
packages/chimerax/map/volume_viewer.py", line 2167, in mouseMoveEvent  
self._drag(event)  
File
"/Applications/ChimeraX-1.7.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-
packages/chimerax/map/volume_viewer.py", line 2171, in _drag  
cb(event)  
File
"/Applications/ChimeraX-1.7.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-
packages/chimerax/map/histogram.py", line 416, in move_marker_cb  
cb(m)  
File
"/Applications/ChimeraX-1.7.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-
packages/chimerax/map/volume_viewer.py", line 2242, in moved_marker_cb  
self.select_data_cb() # Causes redisplay using GUI settings  
^^^^^^^^^^^^^^^^^^^^^  
File
"/Applications/ChimeraX-1.7.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-
packages/chimerax/map/volume_viewer.py", line 2228, in select_data_cb  
d.redisplay_needed_cb()  
File
"/Applications/ChimeraX-1.7.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-
packages/chimerax/map/volume_viewer.py", line 305, in redisplay_needed_cb  
self.redisplay_needed()  
File
"/Applications/ChimeraX-1.7.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-
packages/chimerax/map/volume_viewer.py", line 331, in redisplay_needed  
self.show_using_dialog_settings(self.active_volume)  
File
"/Applications/ChimeraX-1.7.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-
packages/chimerax/map/volume_viewer.py", line 373, in
show_using_dialog_settings  
dr.show()  
File
"/Applications/ChimeraX-1.7.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-
packages/chimerax/map/volume.py", line 773, in show  
self._keep_displayed_data = self.displayed_matrices() if show else None  
^^^^^^^^^^^^^^^^^^^^^^^^^  
File
"/Applications/ChimeraX-1.7.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-
packages/chimerax/map/volume.py", line 1769, in displayed_matrices  
matrices.append(self.matrix(read_matrix))  
^^^^^^^^^^^^^^^^^^^^^^^^  
File
"/Applications/ChimeraX-1.7.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-
packages/chimerax/map/volume.py", line 1252, in matrix  
m = self.region_matrix(r, read_matrix)  
^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^  
File
"/Applications/ChimeraX-1.7.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-
packages/chimerax/map/volume.py", line 1276, in region_matrix  
m = d.matrix(origin, size, step, progress, from_cache_only)  
^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^  
File
"/Applications/ChimeraX-1.7.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-
packages/chimerax/map_data/griddata.py", line 317, in matrix  
m = self.read_matrix(ijk_origin, ijk_size, ijk_step, progress)  
^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^  
File
"/Applications/ChimeraX-1.7.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-
packages/chimerax/map_data/apbs/apbs_grid.py", line 39, in read_matrix  
matrix = self.apbs_data.matrix(progress)  
^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^  
File
"/Applications/ChimeraX-1.7.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-
packages/chimerax/map_data/apbs/apbs_format.py", line 124, in matrix  
data = read_text_floats(self.path, self.data_offset, self.grid_size,  
^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^  
File
"/Applications/ChimeraX-1.7.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-
packages/chimerax/map_data/readarray.py", line 132, in read_text_floats  
read_float_lines(f, array, line_format, progress)  
File
"/Applications/ChimeraX-1.7.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-
packages/chimerax/map_data/readarray.py", line 173, in read_float_lines  
raise SyntaxError(msg)  
SyntaxError: Bad number format in /Volumes/T7/mitoneet/density.dx, line  
b'attribute "dep" string "positions"\n'  
  
SyntaxError: Bad number format in /Volumes/T7/mitoneet/density.dx, line  
b'attribute "dep" string "positions"\n'  
  
File
"/Applications/ChimeraX-1.7.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-
packages/chimerax/map_data/readarray.py", line 173, in read_float_lines  
raise SyntaxError(msg)  
  
See log for complete Python traceback.  
  
Traceback (most recent call last):  
File
"/Applications/ChimeraX-1.7.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-
packages/chimerax/map_data/readarray.py", line 170, in read_float_lines  
values = [float(x) for x in fields]  
^^^^^^^^^^^^^^^^^^^^^^^^^^  
File
"/Applications/ChimeraX-1.7.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-
packages/chimerax/map_data/readarray.py", line 170, in <listcomp>  
values = [float(x) for x in fields]  
^^^^^^^^  
ValueError: could not convert string to float: b'attribute'  
  
During handling of the above exception, another exception occurred:  
  
Traceback (most recent call last):  
File
"/Applications/ChimeraX-1.7.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-
packages/chimerax/map/volume_viewer.py", line 2167, in mouseMoveEvent  
self._drag(event)  
File
"/Applications/ChimeraX-1.7.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-
packages/chimerax/map/volume_viewer.py", line 2171, in _drag  
cb(event)  
File
"/Applications/ChimeraX-1.7.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-
packages/chimerax/map/histogram.py", line 416, in move_marker_cb  
cb(m)  
File
"/Applications/ChimeraX-1.7.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-
packages/chimerax/map/volume_viewer.py", line 2242, in moved_marker_cb  
self.select_data_cb() # Causes redisplay using GUI settings  
^^^^^^^^^^^^^^^^^^^^^  
File
"/Applications/ChimeraX-1.7.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-
packages/chimerax/map/volume_viewer.py", line 2228, in select_data_cb  
d.redisplay_needed_cb()  
File
"/Applications/ChimeraX-1.7.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-
packages/chimerax/map/volume_viewer.py", line 305, in redisplay_needed_cb  
self.redisplay_needed()  
File
"/Applications/ChimeraX-1.7.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-
packages/chimerax/map/volume_viewer.py", line 331, in redisplay_needed  
self.show_using_dialog_settings(self.active_volume)  
File
"/Applications/ChimeraX-1.7.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-
packages/chimerax/map/volume_viewer.py", line 373, in
show_using_dialog_settings  
dr.show()  
File
"/Applications/ChimeraX-1.7.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-
packages/chimerax/map/volume.py", line 773, in show  
self._keep_displayed_data = self.displayed_matrices() if show else None  
^^^^^^^^^^^^^^^^^^^^^^^^^  
File
"/Applications/ChimeraX-1.7.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-
packages/chimerax/map/volume.py", line 1769, in displayed_matrices  
matrices.append(self.matrix(read_matrix))  
^^^^^^^^^^^^^^^^^^^^^^^^  
File
"/Applications/ChimeraX-1.7.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-
packages/chimerax/map/volume.py", line 1252, in matrix  
m = self.region_matrix(r, read_matrix)  
^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^  
File
"/Applications/ChimeraX-1.7.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-
packages/chimerax/map/volume.py", line 1276, in region_matrix  
m = d.matrix(origin, size, step, progress, from_cache_only)  
^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^  
File
"/Applications/ChimeraX-1.7.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-
packages/chimerax/map_data/griddata.py", line 317, in matrix  
m = self.read_matrix(ijk_origin, ijk_size, ijk_step, progress)  
^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^  
File
"/Applications/ChimeraX-1.7.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-
packages/chimerax/map_data/apbs/apbs_grid.py", line 39, in read_matrix  
matrix = self.apbs_data.matrix(progress)  
^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^  
File
"/Applications/ChimeraX-1.7.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-
packages/chimerax/map_data/apbs/apbs_format.py", line 124, in matrix  
data = read_text_floats(self.path, self.data_offset, self.grid_size,  
^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^  
File
"/Applications/ChimeraX-1.7.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-
packages/chimerax/map_data/readarray.py", line 132, in read_text_floats  
read_float_lines(f, array, line_format, progress)  
File
"/Applications/ChimeraX-1.7.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-
packages/chimerax/map_data/readarray.py", line 173, in read_float_lines  
raise SyntaxError(msg)  
SyntaxError: Bad number format in /Volumes/T7/mitoneet/density.dx, line  
b'attribute "dep" string "positions"\n'  
  
SyntaxError: Bad number format in /Volumes/T7/mitoneet/density.dx, line  
b'attribute "dep" string "positions"\n'  
  
File
"/Applications/ChimeraX-1.7.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-
packages/chimerax/map_data/readarray.py", line 173, in read_float_lines  
raise SyntaxError(msg)  
  
See log for complete Python traceback.  
  
Traceback (most recent call last):  
File
"/Applications/ChimeraX-1.7.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-
packages/chimerax/map_data/readarray.py", line 170, in read_float_lines  
values = [float(x) for x in fields]  
^^^^^^^^^^^^^^^^^^^^^^^^^^  
File
"/Applications/ChimeraX-1.7.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-
packages/chimerax/map_data/readarray.py", line 170, in <listcomp>  
values = [float(x) for x in fields]  
^^^^^^^^  
ValueError: could not convert string to float: b'attribute'  
  
During handling of the above exception, another exception occurred:  
  
Traceback (most recent call last):  
File
"/Applications/ChimeraX-1.7.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-
packages/chimerax/map/volume_viewer.py", line 2167, in mouseMoveEvent  
self._drag(event)  
File
"/Applications/ChimeraX-1.7.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-
packages/chimerax/map/volume_viewer.py", line 2171, in _drag  
cb(event)  
File
"/Applications/ChimeraX-1.7.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-
packages/chimerax/map/histogram.py", line 416, in move_marker_cb  
cb(m)  
File
"/Applications/ChimeraX-1.7.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-
packages/chimerax/map/volume_viewer.py", line 2242, in moved_marker_cb  
self.select_data_cb() # Causes redisplay using GUI settings  
^^^^^^^^^^^^^^^^^^^^^  
File
"/Applications/ChimeraX-1.7.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-
packages/chimerax/map/volume_viewer.py", line 2228, in select_data_cb  
d.redisplay_needed_cb()  
File
"/Applications/ChimeraX-1.7.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-
packages/chimerax/map/volume_viewer.py", line 305, in redisplay_needed_cb  
self.redisplay_needed()  
File
"/Applications/ChimeraX-1.7.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-
packages/chimerax/map/volume_viewer.py", line 331, in redisplay_needed  
self.show_using_dialog_settings(self.active_volume)  
File
"/Applications/ChimeraX-1.7.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-
packages/chimerax/map/volume_viewer.py", line 373, in
show_using_dialog_settings  
dr.show()  
File
"/Applications/ChimeraX-1.7.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-
packages/chimerax/map/volume.py", line 773, in show  
self._keep_displayed_data = self.displayed_matrices() if show else None  
^^^^^^^^^^^^^^^^^^^^^^^^^  
File
"/Applications/ChimeraX-1.7.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-
packages/chimerax/map/volume.py", line 1769, in displayed_matrices  
matrices.append(self.matrix(read_matrix))  
^^^^^^^^^^^^^^^^^^^^^^^^  
File
"/Applications/ChimeraX-1.7.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-
packages/chimerax/map/volume.py", line 1252, in matrix  
m = self.region_matrix(r, read_matrix)  
^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^  
File
"/Applications/ChimeraX-1.7.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-
packages/chimerax/map/volume.py", line 1276, in region_matrix  
m = d.matrix(origin, size, step, progress, from_cache_only)  
^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^  
File
"/Applications/ChimeraX-1.7.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-
packages/chimerax/map_data/griddata.py", line 317, in matrix  
m = self.read_matrix(ijk_origin, ijk_size, ijk_step, progress)  
^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^  
File
"/Applications/ChimeraX-1.7.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-
packages/chimerax/map_data/apbs/apbs_grid.py", line 39, in read_matrix  
matrix = self.apbs_data.matrix(progress)  
^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^  
File
"/Applications/ChimeraX-1.7.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-
packages/chimerax/map_data/apbs/apbs_format.py", line 124, in matrix  
data = read_text_floats(self.path, self.data_offset, self.grid_size,  
^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^  
File
"/Applications/ChimeraX-1.7.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-
packages/chimerax/map_data/readarray.py", line 132, in read_text_floats  
read_float_lines(f, array, line_format, progress)  
File
"/Applications/ChimeraX-1.7.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-
packages/chimerax/map_data/readarray.py", line 173, in read_float_lines  
raise SyntaxError(msg)  
SyntaxError: Bad number format in /Volumes/T7/mitoneet/density.dx, line  
b'attribute "dep" string "positions"\n'  
  
SyntaxError: Bad number format in /Volumes/T7/mitoneet/density.dx, line  
b'attribute "dep" string "positions"\n'  
  
File
"/Applications/ChimeraX-1.7.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-
packages/chimerax/map_data/readarray.py", line 173, in read_float_lines  
raise SyntaxError(msg)  
  
See log for complete Python traceback.  
  
Traceback (most recent call last):  
File
"/Applications/ChimeraX-1.7.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-
packages/chimerax/map_data/readarray.py", line 170, in read_float_lines  
values = [float(x) for x in fields]  
^^^^^^^^^^^^^^^^^^^^^^^^^^  
File
"/Applications/ChimeraX-1.7.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-
packages/chimerax/map_data/readarray.py", line 170, in <listcomp>  
values = [float(x) for x in fields]  
^^^^^^^^  
ValueError: could not convert string to float: b'attribute'  
  
During handling of the above exception, another exception occurred:  
  
Traceback (most recent call last):  
File
"/Applications/ChimeraX-1.7.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-
packages/chimerax/map/volume_viewer.py", line 2167, in mouseMoveEvent  
self._drag(event)  
File
"/Applications/ChimeraX-1.7.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-
packages/chimerax/map/volume_viewer.py", line 2171, in _drag  
cb(event)  
File
"/Applications/ChimeraX-1.7.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-
packages/chimerax/map/histogram.py", line 416, in move_marker_cb  
cb(m)  
File
"/Applications/ChimeraX-1.7.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-
packages/chimerax/map/volume_viewer.py", line 2242, in moved_marker_cb  
self.select_data_cb() # Causes redisplay using GUI settings  
^^^^^^^^^^^^^^^^^^^^^  
File
"/Applications/ChimeraX-1.7.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-
packages/chimerax/map/volume_viewer.py", line 2228, in select_data_cb  
d.redisplay_needed_cb()  
File
"/Applications/ChimeraX-1.7.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-
packages/chimerax/map/volume_viewer.py", line 305, in redisplay_needed_cb  
self.redisplay_needed()  
File
"/Applications/ChimeraX-1.7.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-
packages/chimerax/map/volume_viewer.py", line 331, in redisplay_needed  
self.show_using_dialog_settings(self.active_volume)  
File
"/Applications/ChimeraX-1.7.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-
packages/chimerax/map/volume_viewer.py", line 373, in
show_using_dialog_settings  
dr.show()  
File
"/Applications/ChimeraX-1.7.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-
packages/chimerax/map/volume.py", line 773, in show  
self._keep_displayed_data = self.displayed_matrices() if show else None  
^^^^^^^^^^^^^^^^^^^^^^^^^  
File
"/Applications/ChimeraX-1.7.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-
packages/chimerax/map/volume.py", line 1769, in displayed_matrices  
matrices.append(self.matrix(read_matrix))  
^^^^^^^^^^^^^^^^^^^^^^^^  
File
"/Applications/ChimeraX-1.7.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-
packages/chimerax/map/volume.py", line 1252, in matrix  
m = self.region_matrix(r, read_matrix)  
^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^  
File
"/Applications/ChimeraX-1.7.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-
packages/chimerax/map/volume.py", line 1276, in region_matrix  
m = d.matrix(origin, size, step, progress, from_cache_only)  
^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^  
File
"/Applications/ChimeraX-1.7.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-
packages/chimerax/map_data/griddata.py", line 317, in matrix  
m = self.read_matrix(ijk_origin, ijk_size, ijk_step, progress)  
^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^  
File
"/Applications/ChimeraX-1.7.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-
packages/chimerax/map_data/apbs/apbs_grid.py", line 39, in read_matrix  
matrix = self.apbs_data.matrix(progress)  
^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^  
File
"/Applications/ChimeraX-1.7.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-
packages/chimerax/map_data/apbs/apbs_format.py", line 124, in matrix  
data = read_text_floats(self.path, self.data_offset, self.grid_size,  
^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^  
File
"/Applications/ChimeraX-1.7.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-
packages/chimerax/map_data/readarray.py", line 132, in read_text_floats  
read_float_lines(f, array, line_format, progress)  
File
"/Applications/ChimeraX-1.7.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-
packages/chimerax/map_data/readarray.py", line 173, in read_float_lines  
raise SyntaxError(msg)  
SyntaxError: Bad number format in /Volumes/T7/mitoneet/density.dx, line  
b'attribute "dep" string "positions"\n'  
  
SyntaxError: Bad number format in /Volumes/T7/mitoneet/density.dx, line  
b'attribute "dep" string "positions"\n'  
  
File
"/Applications/ChimeraX-1.7.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-
packages/chimerax/map_data/readarray.py", line 173, in read_float_lines  
raise SyntaxError(msg)  
  
See log for complete Python traceback.  
  
Traceback (most recent call last):  
File
"/Applications/ChimeraX-1.7.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-
packages/chimerax/map_data/readarray.py", line 170, in read_float_lines  
values = [float(x) for x in fields]  
^^^^^^^^^^^^^^^^^^^^^^^^^^  
File
"/Applications/ChimeraX-1.7.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-
packages/chimerax/map_data/readarray.py", line 170, in <listcomp>  
values = [float(x) for x in fields]  
^^^^^^^^  
ValueError: could not convert string to float: b'attribute'  
  
During handling of the above exception, another exception occurred:  
  
Traceback (most recent call last):  
File
"/Applications/ChimeraX-1.7.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-
packages/chimerax/map/volume_viewer.py", line 2167, in mouseMoveEvent  
self._drag(event)  
File
"/Applications/ChimeraX-1.7.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-
packages/chimerax/map/volume_viewer.py", line 2171, in _drag  
cb(event)  
File
"/Applications/ChimeraX-1.7.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-
packages/chimerax/map/histogram.py", line 416, in move_marker_cb  
cb(m)  
File
"/Applications/ChimeraX-1.7.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-
packages/chimerax/map/volume_viewer.py", line 2242, in moved_marker_cb  
self.select_data_cb() # Causes redisplay using GUI settings  
^^^^^^^^^^^^^^^^^^^^^  
File
"/Applications/ChimeraX-1.7.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-
packages/chimerax/map/volume_viewer.py", line 2228, in select_data_cb  
d.redisplay_needed_cb()  
File
"/Applications/ChimeraX-1.7.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-
packages/chimerax/map/volume_viewer.py", line 305, in redisplay_needed_cb  
self.redisplay_needed()  
File
"/Applications/ChimeraX-1.7.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-
packages/chimerax/map/volume_viewer.py", line 331, in redisplay_needed  
self.show_using_dialog_settings(self.active_volume)  
File
"/Applications/ChimeraX-1.7.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-
packages/chimerax/map/volume_viewer.py", line 373, in
show_using_dialog_settings  
dr.show()  
File
"/Applications/ChimeraX-1.7.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-
packages/chimerax/map/volume.py", line 773, in show  
self._keep_displayed_data = self.displayed_matrices() if show else None  
^^^^^^^^^^^^^^^^^^^^^^^^^  
File
"/Applications/ChimeraX-1.7.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-
packages/chimerax/map/volume.py", line 1769, in displayed_matrices  
matrices.append(self.matrix(read_matrix))  
^^^^^^^^^^^^^^^^^^^^^^^^  
File
"/Applications/ChimeraX-1.7.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-
packages/chimerax/map/volume.py", line 1252, in matrix  
m = self.region_matrix(r, read_matrix)  
^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^  
File
"/Applications/ChimeraX-1.7.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-
packages/chimerax/map/volume.py", line 1276, in region_matrix  
m = d.matrix(origin, size, step, progress, from_cache_only)  
^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^  
File
"/Applications/ChimeraX-1.7.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-
packages/chimerax/map_data/griddata.py", line 317, in matrix  
m = self.read_matrix(ijk_origin, ijk_size, ijk_step, progress)  
^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^  
File
"/Applications/ChimeraX-1.7.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-
packages/chimerax/map_data/apbs/apbs_grid.py", line 39, in read_matrix  
matrix = self.apbs_data.matrix(progress)  
^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^  
File
"/Applications/ChimeraX-1.7.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-
packages/chimerax/map_data/apbs/apbs_format.py", line 124, in matrix  
data = read_text_floats(self.path, self.data_offset, self.grid_size,  
^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^  
File
"/Applications/ChimeraX-1.7.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-
packages/chimerax/map_data/readarray.py", line 132, in read_text_floats  
read_float_lines(f, array, line_format, progress)  
File
"/Applications/ChimeraX-1.7.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-
packages/chimerax/map_data/readarray.py", line 173, in read_float_lines  
raise SyntaxError(msg)  
SyntaxError: Bad number format in /Volumes/T7/mitoneet/density.dx, line  
b'attribute "dep" string "positions"\n'  
  
SyntaxError: Bad number format in /Volumes/T7/mitoneet/density.dx, line  
b'attribute "dep" string "positions"\n'  
  
File
"/Applications/ChimeraX-1.7.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-
packages/chimerax/map_data/readarray.py", line 173, in read_float_lines  
raise SyntaxError(msg)  
  
See log for complete Python traceback.  
  
Traceback (most recent call last):  
File
"/Applications/ChimeraX-1.7.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-
packages/chimerax/map_data/readarray.py", line 170, in read_float_lines  
values = [float(x) for x in fields]  
^^^^^^^^^^^^^^^^^^^^^^^^^^  
File
"/Applications/ChimeraX-1.7.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-
packages/chimerax/map_data/readarray.py", line 170, in <listcomp>  
values = [float(x) for x in fields]  
^^^^^^^^  
ValueError: could not convert string to float: b'attribute'  
  
During handling of the above exception, another exception occurred:  
  
Traceback (most recent call last):  
File
"/Applications/ChimeraX-1.7.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-
packages/chimerax/map/volume_viewer.py", line 2167, in mouseMoveEvent  
self._drag(event)  
File
"/Applications/ChimeraX-1.7.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-
packages/chimerax/map/volume_viewer.py", line 2171, in _drag  
cb(event)  
File
"/Applications/ChimeraX-1.7.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-
packages/chimerax/map/histogram.py", line 416, in move_marker_cb  
cb(m)  
File
"/Applications/ChimeraX-1.7.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-
packages/chimerax/map/volume_viewer.py", line 2242, in moved_marker_cb  
self.select_data_cb() # Causes redisplay using GUI settings  
^^^^^^^^^^^^^^^^^^^^^  
File
"/Applications/ChimeraX-1.7.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-
packages/chimerax/map/volume_viewer.py", line 2228, in select_data_cb  
d.redisplay_needed_cb()  
File
"/Applications/ChimeraX-1.7.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-
packages/chimerax/map/volume_viewer.py", line 305, in redisplay_needed_cb  
self.redisplay_needed()  
File
"/Applications/ChimeraX-1.7.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-
packages/chimerax/map/volume_viewer.py", line 331, in redisplay_needed  
self.show_using_dialog_settings(self.active_volume)  
File
"/Applications/ChimeraX-1.7.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-
packages/chimerax/map/volume_viewer.py", line 373, in
show_using_dialog_settings  
dr.show()  
File
"/Applications/ChimeraX-1.7.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-
packages/chimerax/map/volume.py", line 773, in show  
self._keep_displayed_data = self.displayed_matrices() if show else None  
^^^^^^^^^^^^^^^^^^^^^^^^^  
File
"/Applications/ChimeraX-1.7.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-
packages/chimerax/map/volume.py", line 1769, in displayed_matrices  
matrices.append(self.matrix(read_matrix))  
^^^^^^^^^^^^^^^^^^^^^^^^  
File
"/Applications/ChimeraX-1.7.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-
packages/chimerax/map/volume.py", line 1252, in matrix  
m = self.region_matrix(r, read_matrix)  
^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^  
File
"/Applications/ChimeraX-1.7.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-
packages/chimerax/map/volume.py", line 1276, in region_matrix  
m = d.matrix(origin, size, step, progress, from_cache_only)  
^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^  
File
"/Applications/ChimeraX-1.7.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-
packages/chimerax/map_data/griddata.py", line 317, in matrix  
m = self.read_matrix(ijk_origin, ijk_size, ijk_step, progress)  
^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^  
File
"/Applications/ChimeraX-1.7.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-
packages/chimerax/map_data/apbs/apbs_grid.py", line 39, in read_matrix  
matrix = self.apbs_data.matrix(progress)  
^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^  
File
"/Applications/ChimeraX-1.7.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-
packages/chimerax/map_data/apbs/apbs_format.py", line 124, in matrix  
data = read_text_floats(self.path, self.data_offset, self.grid_size,  
^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^  
File
"/Applications/ChimeraX-1.7.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-
packages/chimerax/map_data/readarray.py", line 132, in read_text_floats  
read_float_lines(f, array, line_format, progress)  
File
"/Applications/ChimeraX-1.7.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-
packages/chimerax/map_data/readarray.py", line 173, in read_float_lines  
raise SyntaxError(msg)  
SyntaxError: Bad number format in /Volumes/T7/mitoneet/density.dx, line  
b'attribute "dep" string "positions"\n'  
  
SyntaxError: Bad number format in /Volumes/T7/mitoneet/density.dx, line  
b'attribute "dep" string "positions"\n'  
  
File
"/Applications/ChimeraX-1.7.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-
packages/chimerax/map_data/readarray.py", line 173, in read_float_lines  
raise SyntaxError(msg)  
  
See log for complete Python traceback.  
  
Traceback (most recent call last):  
File
"/Applications/ChimeraX-1.7.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-
packages/chimerax/map_data/readarray.py", line 170, in read_float_lines  
values = [float(x) for x in fields]  
^^^^^^^^^^^^^^^^^^^^^^^^^^  
File
"/Applications/ChimeraX-1.7.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-
packages/chimerax/map_data/readarray.py", line 170, in <listcomp>  
values = [float(x) for x in fields]  
^^^^^^^^  
ValueError: could not convert string to float: b'attribute'  
  
During handling of the above exception, another exception occurred:  
  
Traceback (most recent call last):  
File
"/Applications/ChimeraX-1.7.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-
packages/chimerax/map/volume_viewer.py", line 2167, in mouseMoveEvent  
self._drag(event)  
File
"/Applications/ChimeraX-1.7.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-
packages/chimerax/map/volume_viewer.py", line 2171, in _drag  
cb(event)  
File
"/Applications/ChimeraX-1.7.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-
packages/chimerax/map/histogram.py", line 416, in move_marker_cb  
cb(m)  
File
"/Applications/ChimeraX-1.7.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-
packages/chimerax/map/volume_viewer.py", line 2242, in moved_marker_cb  
self.select_data_cb() # Causes redisplay using GUI settings  
^^^^^^^^^^^^^^^^^^^^^  
File
"/Applications/ChimeraX-1.7.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-
packages/chimerax/map/volume_viewer.py", line 2228, in select_data_cb  
d.redisplay_needed_cb()  
File
"/Applications/ChimeraX-1.7.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-
packages/chimerax/map/volume_viewer.py", line 305, in redisplay_needed_cb  
self.redisplay_needed()  
File
"/Applications/ChimeraX-1.7.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-
packages/chimerax/map/volume_viewer.py", line 331, in redisplay_needed  
self.show_using_dialog_settings(self.active_volume)  
File
"/Applications/ChimeraX-1.7.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-
packages/chimerax/map/volume_viewer.py", line 373, in
show_using_dialog_settings  
dr.show()  
File
"/Applications/ChimeraX-1.7.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-
packages/chimerax/map/volume.py", line 773, in show  
self._keep_displayed_data = self.displayed_matrices() if show else None  
^^^^^^^^^^^^^^^^^^^^^^^^^  
File
"/Applications/ChimeraX-1.7.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-
packages/chimerax/map/volume.py", line 1769, in displayed_matrices  
matrices.append(self.matrix(read_matrix))  
^^^^^^^^^^^^^^^^^^^^^^^^  
File
"/Applications/ChimeraX-1.7.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-
packages/chimerax/map/volume.py", line 1252, in matrix  
m = self.region_matrix(r, read_matrix)  
^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^  
File
"/Applications/ChimeraX-1.7.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-
packages/chimerax/map/volume.py", line 1276, in region_matrix  
m = d.matrix(origin, size, step, progress, from_cache_only)  
^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^  
File
"/Applications/ChimeraX-1.7.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-
packages/chimerax/map_data/griddata.py", line 317, in matrix  
m = self.read_matrix(ijk_origin, ijk_size, ijk_step, progress)  
^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^  
File
"/Applications/ChimeraX-1.7.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-
packages/chimerax/map_data/apbs/apbs_grid.py", line 39, in read_matrix  
matrix = self.apbs_data.matrix(progress)  
^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^  
File
"/Applications/ChimeraX-1.7.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-
packages/chimerax/map_data/apbs/apbs_format.py", line 124, in matrix  
data = read_text_floats(self.path, self.data_offset, self.grid_size,  
^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^  
File
"/Applications/ChimeraX-1.7.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-
packages/chimerax/map_data/readarray.py", line 132, in read_text_floats  
read_float_lines(f, array, line_format, progress)  
File
"/Applications/ChimeraX-1.7.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-
packages/chimerax/map_data/readarray.py", line 173, in read_float_lines  
raise SyntaxError(msg)  
SyntaxError: Bad number format in /Volumes/T7/mitoneet/density.dx, line  
b'attribute "dep" string "positions"\n'  
  
SyntaxError: Bad number format in /Volumes/T7/mitoneet/density.dx, line  
b'attribute "dep" string "positions"\n'  
  
File
"/Applications/ChimeraX-1.7.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-
packages/chimerax/map_data/readarray.py", line 173, in read_float_lines  
raise SyntaxError(msg)  
  
See log for complete Python traceback.  
  
Traceback (most recent call last):  
File
"/Applications/ChimeraX-1.7.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-
packages/chimerax/map_data/readarray.py", line 170, in read_float_lines  
values = [float(x) for x in fields]  
^^^^^^^^^^^^^^^^^^^^^^^^^^  
File
"/Applications/ChimeraX-1.7.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-
packages/chimerax/map_data/readarray.py", line 170, in <listcomp>  
values = [float(x) for x in fields]  
^^^^^^^^  
ValueError: could not convert string to float: b'attribute'  
  
During handling of the above exception, another exception occurred:  
  
Traceback (most recent call last):  
File
"/Applications/ChimeraX-1.7.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-
packages/chimerax/map/volume_viewer.py", line 2167, in mouseMoveEvent  
self._drag(event)  
File
"/Applications/ChimeraX-1.7.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-
packages/chimerax/map/volume_viewer.py", line 2171, in _drag  
cb(event)  
File
"/Applications/ChimeraX-1.7.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-
packages/chimerax/map/histogram.py", line 416, in move_marker_cb  
cb(m)  
File
"/Applications/ChimeraX-1.7.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-
packages/chimerax/map/volume_viewer.py", line 2242, in moved_marker_cb  
self.select_data_cb() # Causes redisplay using GUI settings  
^^^^^^^^^^^^^^^^^^^^^  
File
"/Applications/ChimeraX-1.7.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-
packages/chimerax/map/volume_viewer.py", line 2228, in select_data_cb  
d.redisplay_needed_cb()  
File
"/Applications/ChimeraX-1.7.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-
packages/chimerax/map/volume_viewer.py", line 305, in redisplay_needed_cb  
self.redisplay_needed()  
File
"/Applications/ChimeraX-1.7.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-
packages/chimerax/map/volume_viewer.py", line 331, in redisplay_needed  
self.show_using_dialog_settings(self.active_volume)  
File
"/Applications/ChimeraX-1.7.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-
packages/chimerax/map/volume_viewer.py", line 373, in
show_using_dialog_settings  
dr.show()  
File
"/Applications/ChimeraX-1.7.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-
packages/chimerax/map/volume.py", line 773, in show  
self._keep_displayed_data = self.displayed_matrices() if show else None  
^^^^^^^^^^^^^^^^^^^^^^^^^  
File
"/Applications/ChimeraX-1.7.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-
packages/chimerax/map/volume.py", line 1769, in displayed_matrices  
matrices.append(self.matrix(read_matrix))  
^^^^^^^^^^^^^^^^^^^^^^^^  
File
"/Applications/ChimeraX-1.7.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-
packages/chimerax/map/volume.py", line 1252, in matrix  
m = self.region_matrix(r, read_matrix)  
^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^  
File
"/Applications/ChimeraX-1.7.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-
packages/chimerax/map/volume.py", line 1276, in region_matrix  
m = d.matrix(origin, size, step, progress, from_cache_only)  
^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^  
File
"/Applications/ChimeraX-1.7.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-
packages/chimerax/map_data/griddata.py", line 317, in matrix  
m = self.read_matrix(ijk_origin, ijk_size, ijk_step, progress)  
^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^  
File
"/Applications/ChimeraX-1.7.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-
packages/chimerax/map_data/apbs/apbs_grid.py", line 39, in read_matrix  
matrix = self.apbs_data.matrix(progress)  
^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^  
File
"/Applications/ChimeraX-1.7.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-
packages/chimerax/map_data/apbs/apbs_format.py", line 124, in matrix  
data = read_text_floats(self.path, self.data_offset, self.grid_size,  
^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^  
File
"/Applications/ChimeraX-1.7.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-
packages/chimerax/map_data/readarray.py", line 132, in read_text_floats  
read_float_lines(f, array, line_format, progress)  
File
"/Applications/ChimeraX-1.7.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-
packages/chimerax/map_data/readarray.py", line 173, in read_float_lines  
raise SyntaxError(msg)  
SyntaxError: Bad number format in /Volumes/T7/mitoneet/density.dx, line  
b'attribute "dep" string "positions"\n'  
  
SyntaxError: Bad number format in /Volumes/T7/mitoneet/density.dx, line  
b'attribute "dep" string "positions"\n'  
  
File
"/Applications/ChimeraX-1.7.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-
packages/chimerax/map_data/readarray.py", line 173, in read_float_lines  
raise SyntaxError(msg)  
  
See log for complete Python traceback.  
  
Traceback (most recent call last):  
File
"/Applications/ChimeraX-1.7.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-
packages/chimerax/map_data/readarray.py", line 170, in read_float_lines  
values = [float(x) for x in fields]  
^^^^^^^^^^^^^^^^^^^^^^^^^^  
File
"/Applications/ChimeraX-1.7.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-
packages/chimerax/map_data/readarray.py", line 170, in <listcomp>  
values = [float(x) for x in fields]  
^^^^^^^^  
ValueError: could not convert string to float: b'attribute'  
  
During handling of the above exception, another exception occurred:  
  
Traceback (most recent call last):  
File
"/Applications/ChimeraX-1.7.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-
packages/chimerax/map/volume_viewer.py", line 2167, in mouseMoveEvent  
self._drag(event)  
File
"/Applications/ChimeraX-1.7.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-
packages/chimerax/map/volume_viewer.py", line 2171, in _drag  
cb(event)  
File
"/Applications/ChimeraX-1.7.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-
packages/chimerax/map/histogram.py", line 416, in move_marker_cb  
cb(m)  
File
"/Applications/ChimeraX-1.7.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-
packages/chimerax/map/volume_viewer.py", line 2242, in moved_marker_cb  
self.select_data_cb() # Causes redisplay using GUI settings  
^^^^^^^^^^^^^^^^^^^^^  
File
"/Applications/ChimeraX-1.7.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-
packages/chimerax/map/volume_viewer.py", line 2228, in select_data_cb  
d.redisplay_needed_cb()  
File
"/Applications/ChimeraX-1.7.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-
packages/chimerax/map/volume_viewer.py", line 305, in redisplay_needed_cb  
self.redisplay_needed()  
File
"/Applications/ChimeraX-1.7.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-
packages/chimerax/map/volume_viewer.py", line 331, in redisplay_needed  
self.show_using_dialog_settings(self.active_volume)  
File
"/Applications/ChimeraX-1.7.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-
packages/chimerax/map/volume_viewer.py", line 373, in
show_using_dialog_settings  
dr.show()  
File
"/Applications/ChimeraX-1.7.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-
packages/chimerax/map/volume.py", line 773, in show  
self._keep_displayed_data = self.displayed_matrices() if show else None  
^^^^^^^^^^^^^^^^^^^^^^^^^  
File
"/Applications/ChimeraX-1.7.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-
packages/chimerax/map/volume.py", line 1769, in displayed_matrices  
matrices.append(self.matrix(read_matrix))  
^^^^^^^^^^^^^^^^^^^^^^^^  
File
"/Applications/ChimeraX-1.7.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-
packages/chimerax/map/volume.py", line 1252, in matrix  
m = self.region_matrix(r, read_matrix)  
^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^  
File
"/Applications/ChimeraX-1.7.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-
packages/chimerax/map/volume.py", line 1276, in region_matrix  
m = d.matrix(origin, size, step, progress, from_cache_only)  
^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^  
File
"/Applications/ChimeraX-1.7.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-
packages/chimerax/map_data/griddata.py", line 317, in matrix  
m = self.read_matrix(ijk_origin, ijk_size, ijk_step, progress)  
^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^  
File
"/Applications/ChimeraX-1.7.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-
packages/chimerax/map_data/apbs/apbs_grid.py", line 39, in read_matrix  
matrix = self.apbs_data.matrix(progress)  
^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^  
File
"/Applications/ChimeraX-1.7.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-
packages/chimerax/map_data/apbs/apbs_format.py", line 124, in matrix  
data = read_text_floats(self.path, self.data_offset, self.grid_size,  
^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^  
File
"/Applications/ChimeraX-1.7.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-
packages/chimerax/map_data/readarray.py", line 132, in read_text_floats  
read_float_lines(f, array, line_format, progress)  
File
"/Applications/ChimeraX-1.7.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-
packages/chimerax/map_data/readarray.py", line 173, in read_float_lines  
raise SyntaxError(msg)  
SyntaxError: Bad number format in /Volumes/T7/mitoneet/density.dx, line  
b'attribute "dep" string "positions"\n'  
  
SyntaxError: Bad number format in /Volumes/T7/mitoneet/density.dx, line  
b'attribute "dep" string "positions"\n'  
  
File
"/Applications/ChimeraX-1.7.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-
packages/chimerax/map_data/readarray.py", line 173, in read_float_lines  
raise SyntaxError(msg)  
  
See log for complete Python traceback.  
  
Traceback (most recent call last):  
File
"/Applications/ChimeraX-1.7.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-
packages/chimerax/map_data/readarray.py", line 170, in read_float_lines  
values = [float(x) for x in fields]  
^^^^^^^^^^^^^^^^^^^^^^^^^^  
File
"/Applications/ChimeraX-1.7.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-
packages/chimerax/map_data/readarray.py", line 170, in <listcomp>  
values = [float(x) for x in fields]  
^^^^^^^^  
ValueError: could not convert string to float: b'attribute'  
  
During handling of the above exception, another exception occurred:  
  
Traceback (most recent call last):  
File
"/Applications/ChimeraX-1.7.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-
packages/chimerax/map/volume_viewer.py", line 2167, in mouseMoveEvent  
self._drag(event)  
File
"/Applications/ChimeraX-1.7.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-
packages/chimerax/map/volume_viewer.py", line 2171, in _drag  
cb(event)  
File
"/Applications/ChimeraX-1.7.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-
packages/chimerax/map/histogram.py", line 416, in move_marker_cb  
cb(m)  
File
"/Applications/ChimeraX-1.7.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-
packages/chimerax/map/volume_viewer.py", line 2242, in moved_marker_cb  
self.select_data_cb() # Causes redisplay using GUI settings  
^^^^^^^^^^^^^^^^^^^^^  
File
"/Applications/ChimeraX-1.7.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-
packages/chimerax/map/volume_viewer.py", line 2228, in select_data_cb  
d.redisplay_needed_cb()  
File
"/Applications/ChimeraX-1.7.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-
packages/chimerax/map/volume_viewer.py", line 305, in redisplay_needed_cb  
self.redisplay_needed()  
File
"/Applications/ChimeraX-1.7.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-
packages/chimerax/map/volume_viewer.py", line 331, in redisplay_needed  
self.show_using_dialog_settings(self.active_volume)  
File
"/Applications/ChimeraX-1.7.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-
packages/chimerax/map/volume_viewer.py", line 373, in
show_using_dialog_settings  
dr.show()  
File
"/Applications/ChimeraX-1.7.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-
packages/chimerax/map/volume.py", line 773, in show  
self._keep_displayed_data = self.displayed_matrices() if show else None  
^^^^^^^^^^^^^^^^^^^^^^^^^  
File
"/Applications/ChimeraX-1.7.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-
packages/chimerax/map/volume.py", line 1769, in displayed_matrices  
matrices.append(self.matrix(read_matrix))  
^^^^^^^^^^^^^^^^^^^^^^^^  
File
"/Applications/ChimeraX-1.7.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-
packages/chimerax/map/volume.py", line 1252, in matrix  
m = self.region_matrix(r, read_matrix)  
^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^  
File
"/Applications/ChimeraX-1.7.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-
packages/chimerax/map/volume.py", line 1276, in region_matrix  
m = d.matrix(origin, size, step, progress, from_cache_only)  
^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^  
File
"/Applications/ChimeraX-1.7.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-
packages/chimerax/map_data/griddata.py", line 317, in matrix  
m = self.read_matrix(ijk_origin, ijk_size, ijk_step, progress)  
^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^  
File
"/Applications/ChimeraX-1.7.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-
packages/chimerax/map_data/apbs/apbs_grid.py", line 39, in read_matrix  
matrix = self.apbs_data.matrix(progress)  
^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^  
File
"/Applications/ChimeraX-1.7.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-
packages/chimerax/map_data/apbs/apbs_format.py", line 124, in matrix  
data = read_text_floats(self.path, self.data_offset, self.grid_size,  
^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^  
File
"/Applications/ChimeraX-1.7.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-
packages/chimerax/map_data/readarray.py", line 132, in read_text_floats  
read_float_lines(f, array, line_format, progress)  
File
"/Applications/ChimeraX-1.7.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-
packages/chimerax/map_data/readarray.py", line 173, in read_float_lines  
raise SyntaxError(msg)  
SyntaxError: Bad number format in /Volumes/T7/mitoneet/density.dx, line  
b'attribute "dep" string "positions"\n'  
  
SyntaxError: Bad number format in /Volumes/T7/mitoneet/density.dx, line  
b'attribute "dep" string "positions"\n'  
  
File
"/Applications/ChimeraX-1.7.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-
packages/chimerax/map_data/readarray.py", line 173, in read_float_lines  
raise SyntaxError(msg)  
  
See log for complete Python traceback.  
  
Traceback (most recent call last):  
File
"/Applications/ChimeraX-1.7.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-
packages/chimerax/map_data/readarray.py", line 170, in read_float_lines  
values = [float(x) for x in fields]  
^^^^^^^^^^^^^^^^^^^^^^^^^^  
File
"/Applications/ChimeraX-1.7.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-
packages/chimerax/map_data/readarray.py", line 170, in <listcomp>  
values = [float(x) for x in fields]  
^^^^^^^^  
ValueError: could not convert string to float: b'attribute'  
  
During handling of the above exception, another exception occurred:  
  
Traceback (most recent call last):  
File
"/Applications/ChimeraX-1.7.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-
packages/chimerax/map/volume_viewer.py", line 2167, in mouseMoveEvent  
self._drag(event)  
File
"/Applications/ChimeraX-1.7.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-
packages/chimerax/map/volume_viewer.py", line 2171, in _drag  
cb(event)  
File
"/Applications/ChimeraX-1.7.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-
packages/chimerax/map/histogram.py", line 416, in move_marker_cb  
cb(m)  
File
"/Applications/ChimeraX-1.7.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-
packages/chimerax/map/volume_viewer.py", line 2242, in moved_marker_cb  
self.select_data_cb() # Causes redisplay using GUI settings  
^^^^^^^^^^^^^^^^^^^^^  
File
"/Applications/ChimeraX-1.7.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-
packages/chimerax/map/volume_viewer.py", line 2228, in select_data_cb  
d.redisplay_needed_cb()  
File
"/Applications/ChimeraX-1.7.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-
packages/chimerax/map/volume_viewer.py", line 305, in redisplay_needed_cb  
self.redisplay_needed()  
File
"/Applications/ChimeraX-1.7.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-
packages/chimerax/map/volume_viewer.py", line 331, in redisplay_needed  
self.show_using_dialog_settings(self.active_volume)  
File
"/Applications/ChimeraX-1.7.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-
packages/chimerax/map/volume_viewer.py", line 373, in
show_using_dialog_settings  
dr.show()  
File
"/Applications/ChimeraX-1.7.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-
packages/chimerax/map/volume.py", line 773, in show  
self._keep_displayed_data = self.displayed_matrices() if show else None  
^^^^^^^^^^^^^^^^^^^^^^^^^  
File
"/Applications/ChimeraX-1.7.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-
packages/chimerax/map/volume.py", line 1769, in displayed_matrices  
matrices.append(self.matrix(read_matrix))  
^^^^^^^^^^^^^^^^^^^^^^^^  
File
"/Applications/ChimeraX-1.7.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-
packages/chimerax/map/volume.py", line 1252, in matrix  
m = self.region_matrix(r, read_matrix)  
^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^  
File
"/Applications/ChimeraX-1.7.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-
packages/chimerax/map/volume.py", line 1276, in region_matrix  
m = d.matrix(origin, size, step, progress, from_cache_only)  
^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^  
File
"/Applications/ChimeraX-1.7.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-
packages/chimerax/map_data/griddata.py", line 317, in matrix  
m = self.read_matrix(ijk_origin, ijk_size, ijk_step, progress)  
^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^  
File
"/Applications/ChimeraX-1.7.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-
packages/chimerax/map_data/apbs/apbs_grid.py", line 39, in read_matrix  
matrix = self.apbs_data.matrix(progress)  
^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^  
File
"/Applications/ChimeraX-1.7.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-
packages/chimerax/map_data/apbs/apbs_format.py", line 124, in matrix  
data = read_text_floats(self.path, self.data_offset, self.grid_size,  
^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^  
File
"/Applications/ChimeraX-1.7.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-
packages/chimerax/map_data/readarray.py", line 132, in read_text_floats  
read_float_lines(f, array, line_format, progress)  
File
"/Applications/ChimeraX-1.7.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-
packages/chimerax/map_data/readarray.py", line 173, in read_float_lines  
raise SyntaxError(msg)  
SyntaxError: Bad number format in /Volumes/T7/mitoneet/density.dx, line  
b'attribute "dep" string "positions"\n'  
  
SyntaxError: Bad number format in /Volumes/T7/mitoneet/density.dx, line  
b'attribute "dep" string "positions"\n'  
  
File
"/Applications/ChimeraX-1.7.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-
packages/chimerax/map_data/readarray.py", line 173, in read_float_lines  
raise SyntaxError(msg)  
  
See log for complete Python traceback.  
  
Traceback (most recent call last):  
File
"/Applications/ChimeraX-1.7.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-
packages/chimerax/map_data/readarray.py", line 170, in read_float_lines  
values = [float(x) for x in fields]  
^^^^^^^^^^^^^^^^^^^^^^^^^^  
File
"/Applications/ChimeraX-1.7.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-
packages/chimerax/map_data/readarray.py", line 170, in <listcomp>  
values = [float(x) for x in fields]  
^^^^^^^^  
ValueError: could not convert string to float: b'attribute'  
  
During handling of the above exception, another exception occurred:  
  
Traceback (most recent call last):  
File
"/Applications/ChimeraX-1.7.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-
packages/chimerax/map/volume_viewer.py", line 2167, in mouseMoveEvent  
self._drag(event)  
File
"/Applications/ChimeraX-1.7.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-
packages/chimerax/map/volume_viewer.py", line 2171, in _drag  
cb(event)  
File
"/Applications/ChimeraX-1.7.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-
packages/chimerax/map/histogram.py", line 416, in move_marker_cb  
cb(m)  
File
"/Applications/ChimeraX-1.7.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-
packages/chimerax/map/volume_viewer.py", line 2242, in moved_marker_cb  
self.select_data_cb() # Causes redisplay using GUI settings  
^^^^^^^^^^^^^^^^^^^^^  
File
"/Applications/ChimeraX-1.7.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-
packages/chimerax/map/volume_viewer.py", line 2228, in select_data_cb  
d.redisplay_needed_cb()  
File
"/Applications/ChimeraX-1.7.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-
packages/chimerax/map/volume_viewer.py", line 305, in redisplay_needed_cb  
self.redisplay_needed()  
File
"/Applications/ChimeraX-1.7.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-
packages/chimerax/map/volume_viewer.py", line 331, in redisplay_needed  
self.show_using_dialog_settings(self.active_volume)  
File
"/Applications/ChimeraX-1.7.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-
packages/chimerax/map/volume_viewer.py", line 373, in
show_using_dialog_settings  
dr.show()  
File
"/Applications/ChimeraX-1.7.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-
packages/chimerax/map/volume.py", line 773, in show  
self._keep_displayed_data = self.displayed_matrices() if show else None  
^^^^^^^^^^^^^^^^^^^^^^^^^  
File
"/Applications/ChimeraX-1.7.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-
packages/chimerax/map/volume.py", line 1769, in displayed_matrices  
matrices.append(self.matrix(read_matrix))  
^^^^^^^^^^^^^^^^^^^^^^^^  
File
"/Applications/ChimeraX-1.7.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-
packages/chimerax/map/volume.py", line 1252, in matrix  
m = self.region_matrix(r, read_matrix)  
^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^  
File
"/Applications/ChimeraX-1.7.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-
packages/chimerax/map/volume.py", line 1276, in region_matrix  
m = d.matrix(origin, size, step, progress, from_cache_only)  
^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^  
File
"/Applications/ChimeraX-1.7.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-
packages/chimerax/map_data/griddata.py", line 317, in matrix  
m = self.read_matrix(ijk_origin, ijk_size, ijk_step, progress)  
^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^  
File
"/Applications/ChimeraX-1.7.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-
packages/chimerax/map_data/apbs/apbs_grid.py", line 39, in read_matrix  
matrix = self.apbs_data.matrix(progress)  
^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^  
File
"/Applications/ChimeraX-1.7.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-
packages/chimerax/map_data/apbs/apbs_format.py", line 124, in matrix  
data = read_text_floats(self.path, self.data_offset, self.grid_size,  
^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^  
File
"/Applications/ChimeraX-1.7.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-
packages/chimerax/map_data/readarray.py", line 132, in read_text_floats  
read_float_lines(f, array, line_format, progress)  
File
"/Applications/ChimeraX-1.7.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-
packages/chimerax/map_data/readarray.py", line 173, in read_float_lines  
raise SyntaxError(msg)  
SyntaxError: Bad number format in /Volumes/T7/mitoneet/density.dx, line  
b'attribute "dep" string "positions"\n'  
  
SyntaxError: Bad number format in /Volumes/T7/mitoneet/density.dx, line  
b'attribute "dep" string "positions"\n'  
  
File
"/Applications/ChimeraX-1.7.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-
packages/chimerax/map_data/readarray.py", line 173, in read_float_lines  
raise SyntaxError(msg)  
  
See log for complete Python traceback.  
  
Traceback (most recent call last):  
File
"/Applications/ChimeraX-1.7.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-
packages/chimerax/map_data/readarray.py", line 170, in read_float_lines  
values = [float(x) for x in fields]  
^^^^^^^^^^^^^^^^^^^^^^^^^^  
File
"/Applications/ChimeraX-1.7.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-
packages/chimerax/map_data/readarray.py", line 170, in <listcomp>  
values = [float(x) for x in fields]  
^^^^^^^^  
ValueError: could not convert string to float: b'attribute'  
  
During handling of the above exception, another exception occurred:  
  
Traceback (most recent call last):  
File
"/Applications/ChimeraX-1.7.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-
packages/chimerax/map/volume_viewer.py", line 2167, in mouseMoveEvent  
self._drag(event)  
File
"/Applications/ChimeraX-1.7.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-
packages/chimerax/map/volume_viewer.py", line 2171, in _drag  
cb(event)  
File
"/Applications/ChimeraX-1.7.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-
packages/chimerax/map/histogram.py", line 416, in move_marker_cb  
cb(m)  
File
"/Applications/ChimeraX-1.7.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-
packages/chimerax/map/volume_viewer.py", line 2242, in moved_marker_cb  
self.select_data_cb() # Causes redisplay using GUI settings  
^^^^^^^^^^^^^^^^^^^^^  
File
"/Applications/ChimeraX-1.7.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-
packages/chimerax/map/volume_viewer.py", line 2228, in select_data_cb  
d.redisplay_needed_cb()  
File
"/Applications/ChimeraX-1.7.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-
packages/chimerax/map/volume_viewer.py", line 305, in redisplay_needed_cb  
self.redisplay_needed()  
File
"/Applications/ChimeraX-1.7.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-
packages/chimerax/map/volume_viewer.py", line 331, in redisplay_needed  
self.show_using_dialog_settings(self.active_volume)  
File
"/Applications/ChimeraX-1.7.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-
packages/chimerax/map/volume_viewer.py", line 373, in
show_using_dialog_settings  
dr.show()  
File
"/Applications/ChimeraX-1.7.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-
packages/chimerax/map/volume.py", line 773, in show  
self._keep_displayed_data = self.displayed_matrices() if show else None  
^^^^^^^^^^^^^^^^^^^^^^^^^  
File
"/Applications/ChimeraX-1.7.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-
packages/chimerax/map/volume.py", line 1769, in displayed_matrices  
matrices.append(self.matrix(read_matrix))  
^^^^^^^^^^^^^^^^^^^^^^^^  
File
"/Applications/ChimeraX-1.7.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-
packages/chimerax/map/volume.py", line 1252, in matrix  
m = self.region_matrix(r, read_matrix)  
^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^  
File
"/Applications/ChimeraX-1.7.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-
packages/chimerax/map/volume.py", line 1276, in region_matrix  
m = d.matrix(origin, size, step, progress, from_cache_only)  
^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^  
File
"/Applications/ChimeraX-1.7.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-
packages/chimerax/map_data/griddata.py", line 317, in matrix  
m = self.read_matrix(ijk_origin, ijk_size, ijk_step, progress)  
^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^  
File
"/Applications/ChimeraX-1.7.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-
packages/chimerax/map_data/apbs/apbs_grid.py", line 39, in read_matrix  
matrix = self.apbs_data.matrix(progress)  
^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^  
File
"/Applications/ChimeraX-1.7.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-
packages/chimerax/map_data/apbs/apbs_format.py", line 124, in matrix  
data = read_text_floats(self.path, self.data_offset, self.grid_size,  
^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^  
File
"/Applications/ChimeraX-1.7.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-
packages/chimerax/map_data/readarray.py", line 132, in read_text_floats  
read_float_lines(f, array, line_format, progress)  
File
"/Applications/ChimeraX-1.7.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-
packages/chimerax/map_data/readarray.py", line 173, in read_float_lines  
raise SyntaxError(msg)  
SyntaxError: Bad number format in /Volumes/T7/mitoneet/density.dx, line  
b'attribute "dep" string "positions"\n'  
  
SyntaxError: Bad number format in /Volumes/T7/mitoneet/density.dx, line  
b'attribute "dep" string "positions"\n'  
  
File
"/Applications/ChimeraX-1.7.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-
packages/chimerax/map_data/readarray.py", line 173, in read_float_lines  
raise SyntaxError(msg)  
  
See log for complete Python traceback.  
  
Traceback (most recent call last):  
File
"/Applications/ChimeraX-1.7.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-
packages/chimerax/map_data/readarray.py", line 170, in read_float_lines  
values = [float(x) for x in fields]  
^^^^^^^^^^^^^^^^^^^^^^^^^^  
File
"/Applications/ChimeraX-1.7.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-
packages/chimerax/map_data/readarray.py", line 170, in <listcomp>  
values = [float(x) for x in fields]  
^^^^^^^^  
ValueError: could not convert string to float: b'attribute'  
  
During handling of the above exception, another exception occurred:  
  
Traceback (most recent call last):  
File
"/Applications/ChimeraX-1.7.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-
packages/chimerax/map/volume_viewer.py", line 2167, in mouseMoveEvent  
self._drag(event)  
File
"/Applications/ChimeraX-1.7.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-
packages/chimerax/map/volume_viewer.py", line 2171, in _drag  
cb(event)  
File
"/Applications/ChimeraX-1.7.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-
packages/chimerax/map/histogram.py", line 416, in move_marker_cb  
cb(m)  
File
"/Applications/ChimeraX-1.7.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-
packages/chimerax/map/volume_viewer.py", line 2242, in moved_marker_cb  
self.select_data_cb() # Causes redisplay using GUI settings  
^^^^^^^^^^^^^^^^^^^^^  
File
"/Applications/ChimeraX-1.7.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-
packages/chimerax/map/volume_viewer.py", line 2228, in select_data_cb  
d.redisplay_needed_cb()  
File
"/Applications/ChimeraX-1.7.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-
packages/chimerax/map/volume_viewer.py", line 305, in redisplay_needed_cb  
self.redisplay_needed()  
File
"/Applications/ChimeraX-1.7.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-
packages/chimerax/map/volume_viewer.py", line 331, in redisplay_needed  
self.show_using_dialog_settings(self.active_volume)  
File
"/Applications/ChimeraX-1.7.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-
packages/chimerax/map/volume_viewer.py", line 373, in
show_using_dialog_settings  
dr.show()  
File
"/Applications/ChimeraX-1.7.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-
packages/chimerax/map/volume.py", line 773, in show  
self._keep_displayed_data = self.displayed_matrices() if show else None  
^^^^^^^^^^^^^^^^^^^^^^^^^  
File
"/Applications/ChimeraX-1.7.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-
packages/chimerax/map/volume.py", line 1769, in displayed_matrices  
matrices.append(self.matrix(read_matrix))  
^^^^^^^^^^^^^^^^^^^^^^^^  
File
"/Applications/ChimeraX-1.7.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-
packages/chimerax/map/volume.py", line 1252, in matrix  
m = self.region_matrix(r, read_matrix)  
^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^  
File
"/Applications/ChimeraX-1.7.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-
packages/chimerax/map/volume.py", line 1276, in region_matrix  
m = d.matrix(origin, size, step, progress, from_cache_only)  
^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^  
File
"/Applications/ChimeraX-1.7.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-
packages/chimerax/map_data/griddata.py", line 317, in matrix  
m = self.read_matrix(ijk_origin, ijk_size, ijk_step, progress)  
^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^  
File
"/Applications/ChimeraX-1.7.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-
packages/chimerax/map_data/apbs/apbs_grid.py", line 39, in read_matrix  
matrix = self.apbs_data.matrix(progress)  
^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^  
File
"/Applications/ChimeraX-1.7.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-
packages/chimerax/map_data/apbs/apbs_format.py", line 124, in matrix  
data = read_text_floats(self.path, self.data_offset, self.grid_size,  
^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^  
File
"/Applications/ChimeraX-1.7.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-
packages/chimerax/map_data/readarray.py", line 132, in read_text_floats  
read_float_lines(f, array, line_format, progress)  
File
"/Applications/ChimeraX-1.7.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-
packages/chimerax/map_data/readarray.py", line 173, in read_float_lines  
raise SyntaxError(msg)  
SyntaxError: Bad number format in /Volumes/T7/mitoneet/density.dx, line  
b'attribute "dep" string "positions"\n'  
  
SyntaxError: Bad number format in /Volumes/T7/mitoneet/density.dx, line  
b'attribute "dep" string "positions"\n'  
  
File
"/Applications/ChimeraX-1.7.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-
packages/chimerax/map_data/readarray.py", line 173, in read_float_lines  
raise SyntaxError(msg)  
  
See log for complete Python traceback.  
  
Traceback (most recent call last):  
File
"/Applications/ChimeraX-1.7.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-
packages/chimerax/map_data/readarray.py", line 170, in read_float_lines  
values = [float(x) for x in fields]  
^^^^^^^^^^^^^^^^^^^^^^^^^^  
File
"/Applications/ChimeraX-1.7.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-
packages/chimerax/map_data/readarray.py", line 170, in <listcomp>  
values = [float(x) for x in fields]  
^^^^^^^^  
ValueError: could not convert string to float: b'attribute'  
  
During handling of the above exception, another exception occurred:  
  
Traceback (most recent call last):  
File
"/Applications/ChimeraX-1.7.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-
packages/chimerax/map/volume_viewer.py", line 2167, in mouseMoveEvent  
self._drag(event)  
File
"/Applications/ChimeraX-1.7.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-
packages/chimerax/map/volume_viewer.py", line 2171, in _drag  
cb(event)  
File
"/Applications/ChimeraX-1.7.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-
packages/chimerax/map/histogram.py", line 416, in move_marker_cb  
cb(m)  
File
"/Applications/ChimeraX-1.7.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-
packages/chimerax/map/volume_viewer.py", line 2242, in moved_marker_cb  
self.select_data_cb() # Causes redisplay using GUI settings  
^^^^^^^^^^^^^^^^^^^^^  
File
"/Applications/ChimeraX-1.7.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-
packages/chimerax/map/volume_viewer.py", line 2228, in select_data_cb  
d.redisplay_needed_cb()  
File
"/Applications/ChimeraX-1.7.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-
packages/chimerax/map/volume_viewer.py", line 305, in redisplay_needed_cb  
self.redisplay_needed()  
File
"/Applications/ChimeraX-1.7.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-
packages/chimerax/map/volume_viewer.py", line 331, in redisplay_needed  
self.show_using_dialog_settings(self.active_volume)  
File
"/Applications/ChimeraX-1.7.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-
packages/chimerax/map/volume_viewer.py", line 373, in
show_using_dialog_settings  
dr.show()  
File
"/Applications/ChimeraX-1.7.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-
packages/chimerax/map/volume.py", line 773, in show  
self._keep_displayed_data = self.displayed_matrices() if show else None  
^^^^^^^^^^^^^^^^^^^^^^^^^  
File
"/Applications/ChimeraX-1.7.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-
packages/chimerax/map/volume.py", line 1769, in displayed_matrices  
matrices.append(self.matrix(read_matrix))  
^^^^^^^^^^^^^^^^^^^^^^^^  
File
"/Applications/ChimeraX-1.7.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-
packages/chimerax/map/volume.py", line 1252, in matrix  
m = self.region_matrix(r, read_matrix)  
^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^  
File
"/Applications/ChimeraX-1.7.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-
packages/chimerax/map/volume.py", line 1276, in region_matrix  
m = d.matrix(origin, size, step, progress, from_cache_only)  
^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^  
File
"/Applications/ChimeraX-1.7.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-
packages/chimerax/map_data/griddata.py", line 317, in matrix  
m = self.read_matrix(ijk_origin, ijk_size, ijk_step, progress)  
^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^  
File
"/Applications/ChimeraX-1.7.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-
packages/chimerax/map_data/apbs/apbs_grid.py", line 39, in read_matrix  
matrix = self.apbs_data.matrix(progress)  
^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^  
File
"/Applications/ChimeraX-1.7.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-
packages/chimerax/map_data/apbs/apbs_format.py", line 124, in matrix  
data = read_text_floats(self.path, self.data_offset, self.grid_size,  
^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^  
File
"/Applications/ChimeraX-1.7.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-
packages/chimerax/map_data/readarray.py", line 132, in read_text_floats  
read_float_lines(f, array, line_format, progress)  
File
"/Applications/ChimeraX-1.7.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-
packages/chimerax/map_data/readarray.py", line 173, in read_float_lines  
raise SyntaxError(msg)  
SyntaxError: Bad number format in /Volumes/T7/mitoneet/density.dx, line  
b'attribute "dep" string "positions"\n'  
  
SyntaxError: Bad number format in /Volumes/T7/mitoneet/density.dx, line  
b'attribute "dep" string "positions"\n'  
  
File
"/Applications/ChimeraX-1.7.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-
packages/chimerax/map_data/readarray.py", line 173, in read_float_lines  
raise SyntaxError(msg)  
  
See log for complete Python traceback.  
  
Traceback (most recent call last):  
File
"/Applications/ChimeraX-1.7.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-
packages/chimerax/map_data/readarray.py", line 170, in read_float_lines  
values = [float(x) for x in fields]  
^^^^^^^^^^^^^^^^^^^^^^^^^^  
File
"/Applications/ChimeraX-1.7.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-
packages/chimerax/map_data/readarray.py", line 170, in <listcomp>  
values = [float(x) for x in fields]  
^^^^^^^^  
ValueError: could not convert string to float: b'attribute'  
  
During handling of the above exception, another exception occurred:  
  
Traceback (most recent call last):  
File
"/Applications/ChimeraX-1.7.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-
packages/chimerax/map/volume_viewer.py", line 2167, in mouseMoveEvent  
self._drag(event)  
File
"/Applications/ChimeraX-1.7.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-
packages/chimerax/map/volume_viewer.py", line 2171, in _drag  
cb(event)  
File
"/Applications/ChimeraX-1.7.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-
packages/chimerax/map/histogram.py", line 416, in move_marker_cb  
cb(m)  
File
"/Applications/ChimeraX-1.7.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-
packages/chimerax/map/volume_viewer.py", line 2242, in moved_marker_cb  
self.select_data_cb() # Causes redisplay using GUI settings  
^^^^^^^^^^^^^^^^^^^^^  
File
"/Applications/ChimeraX-1.7.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-
packages/chimerax/map/volume_viewer.py", line 2228, in select_data_cb  
d.redisplay_needed_cb()  
File
"/Applications/ChimeraX-1.7.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-
packages/chimerax/map/volume_viewer.py", line 305, in redisplay_needed_cb  
self.redisplay_needed()  
File
"/Applications/ChimeraX-1.7.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-
packages/chimerax/map/volume_viewer.py", line 331, in redisplay_needed  
self.show_using_dialog_settings(self.active_volume)  
File
"/Applications/ChimeraX-1.7.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-
packages/chimerax/map/volume_viewer.py", line 373, in
show_using_dialog_settings  
dr.show()  
File
"/Applications/ChimeraX-1.7.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-
packages/chimerax/map/volume.py", line 773, in show  
self._keep_displayed_data = self.displayed_matrices() if show else None  
^^^^^^^^^^^^^^^^^^^^^^^^^  
File
"/Applications/ChimeraX-1.7.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-
packages/chimerax/map/volume.py", line 1769, in displayed_matrices  
matrices.append(self.matrix(read_matrix))  
^^^^^^^^^^^^^^^^^^^^^^^^  
File
"/Applications/ChimeraX-1.7.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-
packages/chimerax/map/volume.py", line 1252, in matrix  
m = self.region_matrix(r, read_matrix)  
^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^  
File
"/Applications/ChimeraX-1.7.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-
packages/chimerax/map/volume.py", line 1276, in region_matrix  
m = d.matrix(origin, size, step, progress, from_cache_only)  
^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^  
File
"/Applications/ChimeraX-1.7.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-
packages/chimerax/map_data/griddata.py", line 317, in matrix  
m = self.read_matrix(ijk_origin, ijk_size, ijk_step, progress)  
^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^  
File
"/Applications/ChimeraX-1.7.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-
packages/chimerax/map_data/apbs/apbs_grid.py", line 39, in read_matrix  
matrix = self.apbs_data.matrix(progress)  
^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^  
File
"/Applications/ChimeraX-1.7.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-
packages/chimerax/map_data/apbs/apbs_format.py", line 124, in matrix  
data = read_text_floats(self.path, self.data_offset, self.grid_size,  
^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^  
File
"/Applications/ChimeraX-1.7.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-
packages/chimerax/map_data/readarray.py", line 132, in read_text_floats  
read_float_lines(f, array, line_format, progress)  
File
"/Applications/ChimeraX-1.7.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-
packages/chimerax/map_data/readarray.py", line 173, in read_float_lines  
raise SyntaxError(msg)  
SyntaxError: Bad number format in /Volumes/T7/mitoneet/density.dx, line  
b'attribute "dep" string "positions"\n'  
  
SyntaxError: Bad number format in /Volumes/T7/mitoneet/density.dx, line  
b'attribute "dep" string "positions"\n'  
  
File
"/Applications/ChimeraX-1.7.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-
packages/chimerax/map_data/readarray.py", line 173, in read_float_lines  
raise SyntaxError(msg)  
  
See log for complete Python traceback.  
  
Traceback (most recent call last):  
File
"/Applications/ChimeraX-1.7.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-
packages/chimerax/map_data/readarray.py", line 170, in read_float_lines  
values = [float(x) for x in fields]  
^^^^^^^^^^^^^^^^^^^^^^^^^^  
File
"/Applications/ChimeraX-1.7.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-
packages/chimerax/map_data/readarray.py", line 170, in <listcomp>  
values = [float(x) for x in fields]  
^^^^^^^^  
ValueError: could not convert string to float: b'attribute'  
  
During handling of the above exception, another exception occurred:  
  
Traceback (most recent call last):  
File
"/Applications/ChimeraX-1.7.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-
packages/chimerax/map/volume_viewer.py", line 2167, in mouseMoveEvent  
self._drag(event)  
File
"/Applications/ChimeraX-1.7.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-
packages/chimerax/map/volume_viewer.py", line 2171, in _drag  
cb(event)  
File
"/Applications/ChimeraX-1.7.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-
packages/chimerax/map/histogram.py", line 416, in move_marker_cb  
cb(m)  
File
"/Applications/ChimeraX-1.7.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-
packages/chimerax/map/volume_viewer.py", line 2242, in moved_marker_cb  
self.select_data_cb() # Causes redisplay using GUI settings  
^^^^^^^^^^^^^^^^^^^^^  
File
"/Applications/ChimeraX-1.7.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-
packages/chimerax/map/volume_viewer.py", line 2228, in select_data_cb  
d.redisplay_needed_cb()  
File
"/Applications/ChimeraX-1.7.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-
packages/chimerax/map/volume_viewer.py", line 305, in redisplay_needed_cb  
self.redisplay_needed()  
File
"/Applications/ChimeraX-1.7.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-
packages/chimerax/map/volume_viewer.py", line 331, in redisplay_needed  
self.show_using_dialog_settings(self.active_volume)  
File
"/Applications/ChimeraX-1.7.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-
packages/chimerax/map/volume_viewer.py", line 373, in
show_using_dialog_settings  
dr.show()  
File
"/Applications/ChimeraX-1.7.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-
packages/chimerax/map/volume.py", line 773, in show  
self._keep_displayed_data = self.displayed_matrices() if show else None  
^^^^^^^^^^^^^^^^^^^^^^^^^  
File
"/Applications/ChimeraX-1.7.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-
packages/chimerax/map/volume.py", line 1769, in displayed_matrices  
matrices.append(self.matrix(read_matrix))  
^^^^^^^^^^^^^^^^^^^^^^^^  
File
"/Applications/ChimeraX-1.7.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-
packages/chimerax/map/volume.py", line 1252, in matrix  
m = self.region_matrix(r, read_matrix)  
^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^  
File
"/Applications/ChimeraX-1.7.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-
packages/chimerax/map/volume.py", line 1276, in region_matrix  
m = d.matrix(origin, size, step, progress, from_cache_only)  
^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^  
File
"/Applications/ChimeraX-1.7.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-
packages/chimerax/map_data/griddata.py", line 317, in matrix  
m = self.read_matrix(ijk_origin, ijk_size, ijk_step, progress)  
^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^  
File
"/Applications/ChimeraX-1.7.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-
packages/chimerax/map_data/apbs/apbs_grid.py", line 39, in read_matrix  
matrix = self.apbs_data.matrix(progress)  
^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^  
File
"/Applications/ChimeraX-1.7.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-
packages/chimerax/map_data/apbs/apbs_format.py", line 124, in matrix  
data = read_text_floats(self.path, self.data_offset, self.grid_size,  
^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^  
File
"/Applications/ChimeraX-1.7.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-
packages/chimerax/map_data/readarray.py", line 132, in read_text_floats  
read_float_lines(f, array, line_format, progress)  
File
"/Applications/ChimeraX-1.7.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-
packages/chimerax/map_data/readarray.py", line 173, in read_float_lines  
raise SyntaxError(msg)  
SyntaxError: Bad number format in /Volumes/T7/mitoneet/density.dx, line  
b'attribute "dep" string "positions"\n'  
  
SyntaxError: Bad number format in /Volumes/T7/mitoneet/density.dx, line  
b'attribute "dep" string "positions"\n'  
  
File
"/Applications/ChimeraX-1.7.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-
packages/chimerax/map_data/readarray.py", line 173, in read_float_lines  
raise SyntaxError(msg)  
  
See log for complete Python traceback.  
  
Traceback (most recent call last):  
File
"/Applications/ChimeraX-1.7.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-
packages/chimerax/map_data/readarray.py", line 170, in read_float_lines  
values = [float(x) for x in fields]  
^^^^^^^^^^^^^^^^^^^^^^^^^^  
File
"/Applications/ChimeraX-1.7.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-
packages/chimerax/map_data/readarray.py", line 170, in <listcomp>  
values = [float(x) for x in fields]  
^^^^^^^^  
ValueError: could not convert string to float: b'attribute'  
  
During handling of the above exception, another exception occurred:  
  
Traceback (most recent call last):  
File
"/Applications/ChimeraX-1.7.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-
packages/chimerax/map/volume_viewer.py", line 2167, in mouseMoveEvent  
self._drag(event)  
File
"/Applications/ChimeraX-1.7.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-
packages/chimerax/map/volume_viewer.py", line 2171, in _drag  
cb(event)  
File
"/Applications/ChimeraX-1.7.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-
packages/chimerax/map/histogram.py", line 416, in move_marker_cb  
cb(m)  
File
"/Applications/ChimeraX-1.7.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-
packages/chimerax/map/volume_viewer.py", line 2242, in moved_marker_cb  
self.select_data_cb() # Causes redisplay using GUI settings  
^^^^^^^^^^^^^^^^^^^^^  
File
"/Applications/ChimeraX-1.7.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-
packages/chimerax/map/volume_viewer.py", line 2228, in select_data_cb  
d.redisplay_needed_cb()  
File
"/Applications/ChimeraX-1.7.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-
packages/chimerax/map/volume_viewer.py", line 305, in redisplay_needed_cb  
self.redisplay_needed()  
File
"/Applications/ChimeraX-1.7.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-
packages/chimerax/map/volume_viewer.py", line 331, in redisplay_needed  
self.show_using_dialog_settings(self.active_volume)  
File
"/Applications/ChimeraX-1.7.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-
packages/chimerax/map/volume_viewer.py", line 373, in
show_using_dialog_settings  
dr.show()  
File
"/Applications/ChimeraX-1.7.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-
packages/chimerax/map/volume.py", line 773, in show  
self._keep_displayed_data = self.displayed_matrices() if show else None  
^^^^^^^^^^^^^^^^^^^^^^^^^  
File
"/Applications/ChimeraX-1.7.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-
packages/chimerax/map/volume.py", line 1769, in displayed_matrices  
matrices.append(self.matrix(read_matrix))  
^^^^^^^^^^^^^^^^^^^^^^^^  
File
"/Applications/ChimeraX-1.7.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-
packages/chimerax/map/volume.py", line 1252, in matrix  
m = self.region_matrix(r, read_matrix)  
^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^  
File
"/Applications/ChimeraX-1.7.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-
packages/chimerax/map/volume.py", line 1276, in region_matrix  
m = d.matrix(origin, size, step, progress, from_cache_only)  
^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^  
File
"/Applications/ChimeraX-1.7.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-
packages/chimerax/map_data/griddata.py", line 317, in matrix  
m = self.read_matrix(ijk_origin, ijk_size, ijk_step, progress)  
^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^  
File
"/Applications/ChimeraX-1.7.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-
packages/chimerax/map_data/apbs/apbs_grid.py", line 39, in read_matrix  
matrix = self.apbs_data.matrix(progress)  
^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^  
File
"/Applications/ChimeraX-1.7.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-
packages/chimerax/map_data/apbs/apbs_format.py", line 124, in matrix  
data = read_text_floats(self.path, self.data_offset, self.grid_size,  
^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^  
File
"/Applications/ChimeraX-1.7.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-
packages/chimerax/map_data/readarray.py", line 132, in read_text_floats  
read_float_lines(f, array, line_format, progress)  
File
"/Applications/ChimeraX-1.7.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-
packages/chimerax/map_data/readarray.py", line 173, in read_float_lines  
raise SyntaxError(msg)  
SyntaxError: Bad number format in /Volumes/T7/mitoneet/density.dx, line  
b'attribute "dep" string "positions"\n'  
  
SyntaxError: Bad number format in /Volumes/T7/mitoneet/density.dx, line  
b'attribute "dep" string "positions"\n'  
  
File
"/Applications/ChimeraX-1.7.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-
packages/chimerax/map_data/readarray.py", line 173, in read_float_lines  
raise SyntaxError(msg)  
  
See log for complete Python traceback.  
  

> volume #3 level -0.000202 level 0.0003161

Traceback (most recent call last):  
File
"/Applications/ChimeraX-1.7.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-
packages/chimerax/map_data/readarray.py", line 170, in read_float_lines  
values = [float(x) for x in fields]  
^^^^^^^^^^^^^^^^^^^^^^^^^^  
File
"/Applications/ChimeraX-1.7.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-
packages/chimerax/map_data/readarray.py", line 170, in <listcomp>  
values = [float(x) for x in fields]  
^^^^^^^^  
ValueError: could not convert string to float: b'attribute'  
  
During handling of the above exception, another exception occurred:  
  
Traceback (most recent call last):  
File
"/Applications/ChimeraX-1.7.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-
packages/chimerax/map/volume_viewer.py", line 2174, in mouseReleaseEvent  
self._drag(event)  
File
"/Applications/ChimeraX-1.7.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-
packages/chimerax/map/volume_viewer.py", line 2171, in _drag  
cb(event)  
File
"/Applications/ChimeraX-1.7.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-
packages/chimerax/map/histogram.py", line 416, in move_marker_cb  
cb(m)  
File
"/Applications/ChimeraX-1.7.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-
packages/chimerax/map/volume_viewer.py", line 2242, in moved_marker_cb  
self.select_data_cb() # Causes redisplay using GUI settings  
^^^^^^^^^^^^^^^^^^^^^  
File
"/Applications/ChimeraX-1.7.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-
packages/chimerax/map/volume_viewer.py", line 2228, in select_data_cb  
d.redisplay_needed_cb()  
File
"/Applications/ChimeraX-1.7.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-
packages/chimerax/map/volume_viewer.py", line 305, in redisplay_needed_cb  
self.redisplay_needed()  
File
"/Applications/ChimeraX-1.7.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-
packages/chimerax/map/volume_viewer.py", line 331, in redisplay_needed  
self.show_using_dialog_settings(self.active_volume)  
File
"/Applications/ChimeraX-1.7.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-
packages/chimerax/map/volume_viewer.py", line 373, in
show_using_dialog_settings  
dr.show()  
File
"/Applications/ChimeraX-1.7.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-
packages/chimerax/map/volume.py", line 773, in show  
self._keep_displayed_data = self.displayed_matrices() if show else None  
^^^^^^^^^^^^^^^^^^^^^^^^^  
File
"/Applications/ChimeraX-1.7.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-
packages/chimerax/map/volume.py", line 1769, in displayed_matrices  
matrices.append(self.matrix(read_matrix))  
^^^^^^^^^^^^^^^^^^^^^^^^  
File
"/Applications/ChimeraX-1.7.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-
packages/chimerax/map/volume.py", line 1252, in matrix  
m = self.region_matrix(r, read_matrix)  
^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^  
File
"/Applications/ChimeraX-1.7.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-
packages/chimerax/map/volume.py", line 1276, in region_matrix  
m = d.matrix(origin, size, step, progress, from_cache_only)  
^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^  
File
"/Applications/ChimeraX-1.7.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-
packages/chimerax/map_data/griddata.py", line 317, in matrix  
m = self.read_matrix(ijk_origin, ijk_size, ijk_step, progress)  
^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^  
File
"/Applications/ChimeraX-1.7.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-
packages/chimerax/map_data/apbs/apbs_grid.py", line 39, in read_matrix  
matrix = self.apbs_data.matrix(progress)  
^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^  
File
"/Applications/ChimeraX-1.7.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-
packages/chimerax/map_data/apbs/apbs_format.py", line 124, in matrix  
data = read_text_floats(self.path, self.data_offset, self.grid_size,  
^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^  
File
"/Applications/ChimeraX-1.7.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-
packages/chimerax/map_data/readarray.py", line 132, in read_text_floats  
read_float_lines(f, array, line_format, progress)  
File
"/Applications/ChimeraX-1.7.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-
packages/chimerax/map_data/readarray.py", line 173, in read_float_lines  
raise SyntaxError(msg)  
SyntaxError: Bad number format in /Volumes/T7/mitoneet/density.dx, line  
b'attribute "dep" string "positions"\n'  
  
SyntaxError: Bad number format in /Volumes/T7/mitoneet/density.dx, line  
b'attribute "dep" string "positions"\n'  
  
File
"/Applications/ChimeraX-1.7.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-
packages/chimerax/map_data/readarray.py", line 173, in read_float_lines  
raise SyntaxError(msg)  
  
See log for complete Python traceback.  
  




OpenGL version: 4.1 Metal - 88
OpenGL renderer: Apple M1 Pro
OpenGL vendor: Apple

Python: 3.11.2
Locale: UTF-8
Qt version: PyQt6 6.3.1, Qt 6.3.1
Qt runtime version: 6.3.2
Qt platform: cocoa
Hardware:

    Hardware Overview:

      Model Name: MacBook Pro
      Model Identifier: MacBookPro18,3
      Model Number: MKGP3Y/A
      Chip: Apple M1 Pro
      Total Number of Cores: 8 (6 performance and 2 efficiency)
      Memory: 16 GB
      System Firmware Version: 10151.101.3
      OS Loader Version: 10151.101.3

Software:

    System Software Overview:

      System Version: macOS 14.4.1 (23E224)
      Kernel Version: Darwin 23.4.0
      Time since boot: 13 dies, 6 hores i 32 minuts

Graphics/Displays:

    Apple M1 Pro:

      Chipset Model: Apple M1 Pro
      Type: GPU
      Bus: Built-In
      Total Number of Cores: 14
      Vendor: Apple (0x106b)
      Metal Support: Metal 3
      Displays:
        Color LCD:
          Display Type: Built-in Liquid Retina XDR Display
          Resolution: 3024 x 1964 Retina
          Main Display: Yes
          Mirror: Off
          Online: Yes
          Automatically Adjust Brightness: Yes
          Connection Type: Internal


Installed Packages:
    alabaster: 0.7.16
    appdirs: 1.4.4
    appnope: 0.1.3
    asttokens: 2.4.1
    Babel: 2.14.0
    backcall: 0.2.0
    beautifulsoup4: 4.11.2
    blockdiag: 3.0.0
    blosc2: 2.0.0
    build: 0.10.0
    certifi: 2022.12.7
    cftime: 1.6.3
    charset-normalizer: 3.3.2
    ChimeraX-AddCharge: 1.5.13
    ChimeraX-AddH: 2.2.5
    ChimeraX-AlignmentAlgorithms: 2.0.1
    ChimeraX-AlignmentHdrs: 3.4.1
    ChimeraX-AlignmentMatrices: 2.1
    ChimeraX-Alignments: 2.12.2
    ChimeraX-AlphaFold: 1.0
    ChimeraX-AltlocExplorer: 1.1.1
    ChimeraX-AmberInfo: 1.0
    ChimeraX-Arrays: 1.1
    ChimeraX-Atomic: 1.49.1
    ChimeraX-AtomicLibrary: 12.1.5
    ChimeraX-AtomSearch: 2.0.1
    ChimeraX-AxesPlanes: 2.3.2
    ChimeraX-BasicActions: 1.1.2
    ChimeraX-BILD: 1.0
    ChimeraX-BlastProtein: 2.1.2
    ChimeraX-BondRot: 2.0.4
    ChimeraX-BugReporter: 1.0.1
    ChimeraX-BuildStructure: 2.10.5
    ChimeraX-Bumps: 1.0
    ChimeraX-BundleBuilder: 1.2.2
    ChimeraX-ButtonPanel: 1.0.1
    ChimeraX-CageBuilder: 1.0.1
    ChimeraX-CellPack: 1.0
    ChimeraX-Centroids: 1.3.2
    ChimeraX-ChangeChains: 1.1
    ChimeraX-CheckWaters: 1.3.2
    ChimeraX-ChemGroup: 2.0.1
    ChimeraX-Clashes: 2.2.4
    ChimeraX-ColorActions: 1.0.3
    ChimeraX-ColorGlobe: 1.0
    ChimeraX-ColorKey: 1.5.5
    ChimeraX-CommandLine: 1.2.5
    ChimeraX-ConnectStructure: 2.0.1
    ChimeraX-Contacts: 1.0.1
    ChimeraX-Core: 1.7.1
    ChimeraX-CoreFormats: 1.2
    ChimeraX-coulombic: 1.4.2
    ChimeraX-Crosslinks: 1.0
    ChimeraX-Crystal: 1.0
    ChimeraX-CrystalContacts: 1.0.1
    ChimeraX-DataFormats: 1.2.3
    ChimeraX-Dicom: 1.2
    ChimeraX-DistMonitor: 1.4
    ChimeraX-DockPrep: 1.1.3
    ChimeraX-Dssp: 2.0
    ChimeraX-EMDB-SFF: 1.0
    ChimeraX-ESMFold: 1.0
    ChimeraX-FileHistory: 1.0.1
    ChimeraX-FunctionKey: 1.0.1
    ChimeraX-Geometry: 1.3
    ChimeraX-gltf: 1.0
    ChimeraX-Graphics: 1.1.1
    ChimeraX-Hbonds: 2.4
    ChimeraX-Help: 1.2.2
    ChimeraX-HKCage: 1.3
    ChimeraX-IHM: 1.1
    ChimeraX-ImageFormats: 1.2
    ChimeraX-IMOD: 1.0
    ChimeraX-IO: 1.0.1
    ChimeraX-ItemsInspection: 1.0.1
    ChimeraX-IUPAC: 1.0
    ChimeraX-Label: 1.1.8
    ChimeraX-ListInfo: 1.2.2
    ChimeraX-Log: 1.1.6
    ChimeraX-LookingGlass: 1.1
    ChimeraX-Maestro: 1.9.1
    ChimeraX-Map: 1.1.4
    ChimeraX-MapData: 2.0
    ChimeraX-MapEraser: 1.0.1
    ChimeraX-MapFilter: 2.0.1
    ChimeraX-MapFit: 2.0
    ChimeraX-MapSeries: 2.1.1
    ChimeraX-Markers: 1.0.1
    ChimeraX-Mask: 1.0.2
    ChimeraX-MatchMaker: 2.1.2
    ChimeraX-MCopy: 1.0
    ChimeraX-MDcrds: 2.6.1
    ChimeraX-MedicalToolbar: 1.0.2
    ChimeraX-Meeting: 1.0.1
    ChimeraX-MLP: 1.1.1
    ChimeraX-mmCIF: 2.12.1
    ChimeraX-MMTF: 2.2
    ChimeraX-Modeller: 1.5.14
    ChimeraX-ModelPanel: 1.4
    ChimeraX-ModelSeries: 1.0.1
    ChimeraX-Mol2: 2.0.3
    ChimeraX-Mole: 1.0
    ChimeraX-Morph: 1.0.2
    ChimeraX-MouseModes: 1.2
    ChimeraX-Movie: 1.0
    ChimeraX-Neuron: 1.0
    ChimeraX-Nifti: 1.1
    ChimeraX-NRRD: 1.1
    ChimeraX-Nucleotides: 2.0.3
    ChimeraX-OpenCommand: 1.13.1
    ChimeraX-PDB: 2.7.3
    ChimeraX-PDBBio: 1.0.1
    ChimeraX-PDBLibrary: 1.0.4
    ChimeraX-PDBMatrices: 1.0
    ChimeraX-PickBlobs: 1.0.1
    ChimeraX-Positions: 1.0
    ChimeraX-PresetMgr: 1.1
    ChimeraX-PubChem: 2.1
    ChimeraX-ReadPbonds: 1.0.1
    ChimeraX-Registration: 1.1.2
    ChimeraX-RemoteControl: 1.0
    ChimeraX-RenderByAttr: 1.1
    ChimeraX-RenumberResidues: 1.1
    ChimeraX-ResidueFit: 1.0.1
    ChimeraX-RestServer: 1.2
    ChimeraX-RNALayout: 1.0
    ChimeraX-RotamerLibMgr: 4.0
    ChimeraX-RotamerLibsDunbrack: 2.0
    ChimeraX-RotamerLibsDynameomics: 2.0
    ChimeraX-RotamerLibsRichardson: 2.0
    ChimeraX-SaveCommand: 1.5.1
    ChimeraX-SchemeMgr: 1.0
    ChimeraX-SDF: 2.0.2
    ChimeraX-Segger: 1.0
    ChimeraX-Segment: 1.0.1
    ChimeraX-SelInspector: 1.0
    ChimeraX-SeqView: 2.11
    ChimeraX-Shape: 1.0.1
    ChimeraX-Shell: 1.0.1
    ChimeraX-Shortcuts: 1.1.1
    ChimeraX-ShowSequences: 1.0.2
    ChimeraX-SideView: 1.0.1
    ChimeraX-Smiles: 2.1.2
    ChimeraX-SmoothLines: 1.0
    ChimeraX-SpaceNavigator: 1.0
    ChimeraX-StdCommands: 1.12.4
    ChimeraX-STL: 1.0.1
    ChimeraX-Storm: 1.0
    ChimeraX-StructMeasure: 1.1.2
    ChimeraX-Struts: 1.0.1
    ChimeraX-Surface: 1.0.1
    ChimeraX-SwapAA: 2.0.1
    ChimeraX-SwapRes: 2.2.2
    ChimeraX-TapeMeasure: 1.0
    ChimeraX-TaskManager: 1.0
    ChimeraX-Test: 1.0
    ChimeraX-Toolbar: 1.1.2
    ChimeraX-ToolshedUtils: 1.2.4
    ChimeraX-Topography: 1.0
    ChimeraX-ToQuest: 1.0
    ChimeraX-Tug: 1.0.1
    ChimeraX-UI: 1.33.3
    ChimeraX-uniprot: 2.3
    ChimeraX-UnitCell: 1.0.1
    ChimeraX-ViewDockX: 1.3.2
    ChimeraX-VIPERdb: 1.0
    ChimeraX-Vive: 1.1
    ChimeraX-VolumeMenu: 1.0.1
    ChimeraX-vrml: 1.0
    ChimeraX-VTK: 1.0
    ChimeraX-WavefrontOBJ: 1.0
    ChimeraX-WebCam: 1.0.2
    ChimeraX-WebServices: 1.1.3
    ChimeraX-Zone: 1.0.1
    colorama: 0.4.6
    comm: 0.2.1
    contourpy: 1.2.0
    cxservices: 1.2.2
    cycler: 0.12.1
    Cython: 0.29.33
    debugpy: 1.8.0
    decorator: 5.1.1
    docutils: 0.19
    executing: 2.0.1
    filelock: 3.9.0
    fonttools: 4.47.2
    funcparserlib: 2.0.0a0
    glfw: 2.6.4
    grako: 3.16.5
    h5py: 3.10.0
    html2text: 2020.1.16
    idna: 3.6
    ihm: 0.38
    imagecodecs: 2023.9.18
    imagesize: 1.4.1
    ipykernel: 6.23.2
    ipython: 8.14.0
    ipython-genutils: 0.2.0
    ipywidgets: 8.1.1
    jedi: 0.18.2
    Jinja2: 3.1.2
    jupyter-client: 8.2.0
    jupyter-core: 5.7.1
    jupyterlab-widgets: 3.0.9
    kiwisolver: 1.4.5
    line-profiler: 4.0.2
    lxml: 4.9.2
    lz4: 4.3.2
    MarkupSafe: 2.1.4
    matplotlib: 3.7.2
    matplotlib-inline: 0.1.6
    msgpack: 1.0.4
    nest-asyncio: 1.6.0
    netCDF4: 1.6.2
    networkx: 3.1
    nibabel: 5.0.1
    nptyping: 2.5.0
    numexpr: 2.8.8
    numpy: 1.25.1
    openvr: 1.23.701
    packaging: 21.3
    ParmEd: 3.4.3
    parso: 0.8.3
    pep517: 0.13.0
    pexpect: 4.9.0
    pickleshare: 0.7.5
    pillow: 10.2.0
    pip: 23.0
    pkginfo: 1.9.6
    platformdirs: 4.1.0
    prompt-toolkit: 3.0.43
    psutil: 5.9.5
    ptyprocess: 0.7.0
    pure-eval: 0.2.2
    py-cpuinfo: 9.0.0
    pycollada: 0.7.2
    pydicom: 2.3.0
    Pygments: 2.16.1
    pynrrd: 1.0.0
    PyOpenGL: 3.1.7
    PyOpenGL-accelerate: 3.1.7
    pyopenxr: 1.0.2801
    pyparsing: 3.0.9
    pyproject-hooks: 1.0.0
    PyQt6-commercial: 6.3.1
    PyQt6-Qt6: 6.3.2
    PyQt6-sip: 13.4.0
    PyQt6-WebEngine-commercial: 6.3.1
    PyQt6-WebEngine-Qt6: 6.3.2
    python-dateutil: 2.8.2
    pytz: 2023.3.post1
    pyzmq: 25.1.2
    qtconsole: 5.4.3
    QtPy: 2.4.1
    RandomWords: 0.4.0
    requests: 2.31.0
    scipy: 1.11.1
    setuptools: 67.4.0
    setuptools-scm: 7.0.5
    sfftk-rw: 0.7.3
    six: 1.16.0
    snowballstemmer: 2.2.0
    sortedcontainers: 2.4.0
    soupsieve: 2.5
    sphinx: 6.1.3
    sphinx-autodoc-typehints: 1.22
    sphinxcontrib-applehelp: 1.0.8
    sphinxcontrib-blockdiag: 3.0.0
    sphinxcontrib-devhelp: 1.0.6
    sphinxcontrib-htmlhelp: 2.0.5
    sphinxcontrib-jsmath: 1.0.1
    sphinxcontrib-qthelp: 1.0.7
    sphinxcontrib-serializinghtml: 1.1.10
    stack-data: 0.6.3
    superqt: 0.5.0
    tables: 3.8.0
    tcia-utils: 1.5.1
    tifffile: 2023.7.18
    tinyarray: 1.2.4
    tomli: 2.0.1
    tornado: 6.4
    traitlets: 5.9.0
    typing-extensions: 4.9.0
    tzdata: 2023.4
    urllib3: 2.1.0
    wcwidth: 0.2.13
    webcolors: 1.12
    wheel: 0.38.4
    wheel-filename: 1.4.1
    widgetsnbextension: 4.0.9