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Opened 6 years ago

Last modified 6 years ago

#3225 closed defect

ChimeraX bug report submission — at Initial Version

Reported by:	Tristan Croll	Owned by:
Priority:	normal	Milestone:
Component:	MD/Ensemble Analysis	Version:
Keywords:		Cc:	Tom Goddard
Blocked By:		Blocking:
Notify when closed:		Platform:	all
Project:	ChimeraX

Description

The following bug report has been submitted:
Platform:        Linux-3.10.0-1062.9.1.el7.x86_64-x86_64-with-centos-7.7.1908-Core
ChimeraX Version: 1.0 (2020-05-09)
Description
Trying to read the trajectory of a SARS-CoV-2 spike protein simulation from https://www.deshawresearch.com/downloads/download_trajectory_sarscov2.cgi/. Note that for each trajectory the coordinate PDB file is messed up, with a TER after each and every atom beyond chain A (but remove those lines and the coordinates open fine). Attempting to load one of the DCDs fails (this trajectory is split into 9x733MB DCD files, in case it's relevant).

Log:
Startup Messages  
---  
warning | 'clip' is a prefix of an existing command 'clipper'  
  
UCSF ChimeraX version: 1.0rc202005090702 (2020-05-09)  
© 2016-2020 Regents of the University of California. All rights reserved.  
How to cite UCSF ChimeraX  

> toolshed show Shell

/opt/UCSF/ChimeraX/lib/python3.7/site-packages/IPython/core/history.py:226:
UserWarning: IPython History requires SQLite, your history will not be saved  
warn("IPython History requires SQLite, your history will not be saved")  

> open /run/media/tic20/storage/structure_dump/covid-19/de_shaw/DESRES-
> Trajectory_sarscov2-11021566-no-water-zinc-glueCA/system_stripped.pdb

Summary of feedback from opening
/run/media/tic20/storage/structure_dump/covid-19/de_shaw/DESRES-
Trajectory_sarscov2-11021566-no-water-zinc-glueCA/system_stripped.pdb  
---  
warnings | Ignored bad PDB record found on line 60190  
ATOM 186a0 O4_6 NM5 C1171 42.722 -12.917 -65.328 1.00 0.00 O  
  
Ignored bad PDB record found on line 60191  
ATOM 186a2 C5 NM5 C1171 28.542 -1.043 -57.066 1.00 0.00 C  
  
Ignored bad PDB record found on line 60192  
ATOM 186a4 C5_1 NM5 C1171 30.583 -6.545 -56.390 1.00 0.00 C  
  
Ignored bad PDB record found on line 60193  
ATOM 186a6 C5_2 NM5 C1171 36.214 -8.281 -57.188 1.00 0.00 C  
  
Ignored bad PDB record found on line 60194  
ATOM 186a8 C5_3 NM5 C1171 32.859 -12.246 -54.295 1.00 0.00 C  
  
43 messages similar to the above omitted  
Duplicate atom serial number found: 18700  
Duplicate atom serial number found: 18702  
Duplicate atom serial number found: 18704  
Duplicate atom serial number found: 18706  
Duplicate atom serial number found: 18708  
Ignored bad PDB record found on line 60243  
ATOM 1870a H61 NM5 C1171 30.544 -8.527 -55.702 1.00 0.00 H  
  
Ignored bad PDB record found on line 60244  
ATOM 1870c H61 NM5 C1171 37.048 -6.773 -58.506 1.00 0.00 H  
  
Ignored bad PDB record found on line 60245  
ATOM 1870e H61 NM5 C1171 41.239 -10.476 -59.729 1.00 0.00 H  
  
Duplicate atom serial number found: 18710  
Duplicate atom serial number found: 18712  
Duplicate atom serial number found: 18714  
Duplicate atom serial number found: 18716  
Duplicate atom serial number found: 18718  
Ignored bad PDB record found on line 60251  
ATOM 1871a H62 NM5 C1171 38.170 -7.921 -57.746 1.00 0.00 H  
  
Ignored bad PDB record found on line 60252  
ATOM 1871c H62 NM5 C1171 40.707 -11.916 -60.480 1.00 0.00 H  
  
Ignored bad PDB record found on line 60253  
ATOM 1871e H62 NM5 C1171 44.431 -14.299 -62.932 1.00 0.00 H  
  
Duplicate atom serial number found: 18720  
Duplicate atom serial number found: 18722  
Duplicate atom serial number found: 18724  
Duplicate atom serial number found: 18726  
Duplicate atom serial number found: 18728  
Ignored bad PDB record found on line 60259  
ATOM 1872a H4O NM5 C1171 32.297 -9.951 -65.815 1.00 0.00 H  
  
Ignored bad PDB record found on line 60260  
ATOM 1872c H4O NM5 C1171 31.988 -15.244 -55.074 1.00 0.00 H  
  
Ignored bad PDB record found on line 60261  
ATOM 1872e H6O NM5 C1171 28.683 1.436 -57.334 1.00 0.00 H  
  
Duplicate atom serial number found: 18730  
Duplicate atom serial number found: 18732  
Duplicate atom serial number found: 18734  
Duplicate atom serial number found: 18736  
Duplicate atom serial number found: 18738  
Ignored bad PDB record found on line 60267  
ATOM 1873a H1_2 NM5 C1171 34.296 -7.622 -55.563 1.00 0.00 H  
  
Ignored bad PDB record found on line 60268  
ATOM 1873c H1_3 NM5 C1171 36.052 -11.300 -53.844 1.00 0.00 H  
  
Ignored bad PDB record found on line 60269  
ATOM 1873e H1_4 NM5 C1171 37.657 -7.281 -60.589 1.00 0.00 H  
  
Duplicate atom serial number found: 18740  
Duplicate atom serial number found: 18742  
Duplicate atom serial number found: 18744  
Duplicate atom serial number found: 18746  
Duplicate atom serial number found: 18748  
Ignored bad PDB record found on line 60275  
ATOM 1874a H2_4 NM5 C1171 36.043 -8.680 -61.767 1.00 0.00 H  
  
Ignored bad PDB record found on line 60276  
ATOM 1874c H2_5 NM5 C1171 36.137 -12.357 -65.099 1.00 0.00 H  
  
Ignored bad PDB record found on line 60277  
ATOM 1874e H2_6 NM5 C1171 42.756 -8.905 -62.852 1.00 0.00 H  
  
Duplicate atom serial number found: 18750  
Duplicate atom serial number found: 18752  
Duplicate atom serial number found: 18754  
Duplicate atom serial number found: 18756  
Duplicate atom serial number found: 18758  
Ignored bad PDB record found on line 60283  
ATOM 1875a H3_6 NM5 C1171 41.766 -10.648 -64.392 1.00 0.00 H  
  
Ignored bad PDB record found on line 60284  
ATOM 1875c H4_1 NM5 C1171 32.530 -6.129 -55.518 1.00 0.00 H  
  
Ignored bad PDB record found on line 60285  
ATOM 1875e H4_2 NM5 C1171 36.097 -10.443 -57.825 1.00 0.00 H  
  
Duplicate atom serial number found: 18760  
Duplicate atom serial number found: 18762  
Duplicate atom serial number found: 18764  
Duplicate atom serial number found: 18766  
Duplicate atom serial number found: 18768  
Ignored bad PDB record found on line 60291  
ATOM 1876a H5_2 NM5 C1171 36.591 -7.756 -56.311 1.00 0.00 H  
  
Ignored bad PDB record found on line 60292  
ATOM 1876c H5_3 NM5 C1171 32.767 -12.036 -55.360 1.00 0.00 H  
  
Ignored bad PDB record found on line 60293  
ATOM 1876e H5_4 NM5 C1171 38.692 -10.782 -59.472 1.00 0.00 H  
  
Duplicate atom serial number found: 18770  
Duplicate atom serial number found: 18772  
Duplicate atom serial number found: 18774  
Duplicate atom serial number found: 18776  
Duplicate atom serial number found: 18778  
Ignored bad PDB record found on line 60299  
ATOM 1877a O NLM C1172 22.594 -15.820 -45.332 1.00 0.00 O  
  
Ignored bad PDB record found on line 60300  
ATOM 1877c CB NLM C1172 24.411 -17.029 -47.275 1.00 0.00 C  
  
Ignored bad PDB record found on line 60301  
ATOM 1877e CG NLM C1172 25.028 -18.301 -46.604 1.00 0.00 C  
  
Duplicate atom serial number found: 18780  
Duplicate atom serial number found: 18782  
Duplicate atom serial number found: 18784  
Duplicate atom serial number found: 18786  
Duplicate atom serial number found: 18788  
Ignored bad PDB record found on line 60307  
ATOM 1878a HB3 NLM C1172 24.861 -16.797 -48.240 1.00 0.00 H  
  
Ignored bad PDB record found on line 60308  
ATOM 1878c HD21 NLM C1172 26.589 -18.066 -47.825 1.00 0.00 H  
  
Ignored bad PDB record found on line 60309  
ATOM 1878e CME NM5 C1173 25.056 -21.256 -49.304 1.00 0.00 C  
  
Duplicate atom serial number found: 18790  
Duplicate atom serial number found: 18792  
Duplicate atom serial number found: 18794  
Duplicate atom serial number found: 18796  
Duplicate atom serial number found: 18798  
Ignored bad PDB record found on line 60315  
ATOM 1879a C1_4 NM5 C1173 40.324 -26.119 -45.537 1.00 0.00 C  
  
Ignored bad PDB record found on line 60316  
ATOM 1879c C1_5 NM5 C1173 40.697 -29.263 -49.026 1.00 0.00 C  
  
Ignored bad PDB record found on line 60317  
ATOM 1879e C1_6 NM5 C1173 45.411 -27.445 -43.076 1.00 0.00 C  
  
Ignored bad PDB record found on line 60318  
ATOM 187a0 C2 NM5 C1173 27.161 -20.865 -46.976 1.00 0.00 C  
  
Ignored bad PDB record found on line 60319  
ATOM 187a2 C2_1 NM5 C1173 32.939 -22.478 -45.379 1.00 0.00 C  
  
46 messages similar to the above omitted  
Duplicate atom serial number found: 18800  
Duplicate atom serial number found: 18802  
Duplicate atom serial number found: 18804  
Duplicate atom serial number found: 18806  
Duplicate atom serial number found: 18808  
Ignored bad PDB record found on line 60371  
ATOM 1880a O5 NM5 C1173 28.398 -18.823 -46.511 1.00 0.00 O  
  
Ignored bad PDB record found on line 60372  
ATOM 1880c O5_1 NM5 C1173 31.093 -23.893 -45.964 1.00 0.00 O  
  
Ignored bad PDB record found on line 60373  
ATOM 1880e O5_2 NM5 C1173 36.322 -26.075 -44.925 1.00 0.00 O  
  
Duplicate atom serial number found: 18810  
Duplicate atom serial number found: 18812  
Duplicate atom serial number found: 18814  
Duplicate atom serial number found: 18816  
Duplicate atom serial number found: 18818  
Ignored bad PDB record found on line 60379  
ATOM 1881a C6_1 NM5 C1173 31.098 -26.273 -46.258 1.00 0.00 C  
  
Ignored bad PDB record found on line 60380  
ATOM 1881c C6_2 NM5 C1173 38.462 -26.140 -43.941 1.00 0.00 C  
  
Ignored bad PDB record found on line 60381  
ATOM 1881e C6_3 NM5 C1173 31.618 -30.355 -41.631 1.00 0.00 C  
  
Duplicate atom serial number found: 18820  
Duplicate atom serial number found: 18822  
Duplicate atom serial number found: 18824  
Duplicate atom serial number found: 18826  
Duplicate atom serial number found: 18828  
Ignored bad PDB record found on line 60387  
ATOM 1882a O6_2 NM5 C1173 39.071 -26.791 -45.156 1.00 0.00 O  
  
Ignored bad PDB record found on line 60388  
ATOM 1882c O6_3 NM5 C1173 31.795 -30.883 -40.280 1.00 0.00 O  
  
Ignored bad PDB record found on line 60389  
ATOM 1882e O6_4 NM5 C1173 44.288 -27.356 -43.962 1.00 0.00 O  
  
Duplicate atom serial number found: 18830  
Duplicate atom serial number found: 18832  
Duplicate atom serial number found: 18834  
Duplicate atom serial number found: 18836  
Duplicate atom serial number found: 18838  
Ignored bad PDB record found on line 60395  
ATOM 1883a H4 NM5 C1173 30.065 -20.970 -47.481 1.00 0.00 H  
  
Ignored bad PDB record found on line 60396  
ATOM 1883c H5 NM5 C1173 29.689 -19.396 -44.907 1.00 0.00 H  
  
Ignored bad PDB record found on line 60397  
ATOM 1883e H1M NM5 C1173 25.841 -21.697 -49.917 1.00 0.00 H  
  
Duplicate atom serial number found: 18840  
Duplicate atom serial number found: 18842  
Duplicate atom serial number found: 18844  
Duplicate atom serial number found: 18846  
Duplicate atom serial number found: 18848  
Ignored bad PDB record found on line 60403  
ATOM 1884a H2O NM5 C1173 34.490 -29.334 -46.108 1.00 0.00 H  
  
Ignored bad PDB record found on line 60404  
ATOM 1884c H2O NM5 C1173 41.245 -25.105 -48.050 1.00 0.00 H  
  
Ignored bad PDB record found on line 60405  
ATOM 1884e H2O NM5 C1173 48.587 -26.366 -43.327 1.00 0.00 H  
  
Duplicate atom serial number found: 18850  
Duplicate atom serial number found: 18852  
Duplicate atom serial number found: 18854  
Duplicate atom serial number found: 18856  
Duplicate atom serial number found: 18858  
Ignored bad PDB record found on line 60411  
ATOM 1885a H3O NM5 C1173 35.439 -24.470 -45.068 1.00 0.00 H  
  
Ignored bad PDB record found on line 60412  
ATOM 1885c H3O NM5 C1173 47.554 -26.367 -46.407 1.00 0.00 H  
  
Ignored bad PDB record found on line 60413  
ATOM 1885e H3O NM5 C1173 42.673 -28.732 -53.144 1.00 0.00 H  
  
Duplicate atom serial number found: 18860  
Duplicate atom serial number found: 18862  
Duplicate atom serial number found: 18864  
Duplicate atom serial number found: 18866  
Duplicate atom serial number found: 18868  
Ignored bad PDB record found on line 60419  
ATOM 1886a H61 NM5 C1173 47.128 -31.638 -44.269 1.00 0.00 H  
  
Ignored bad PDB record found on line 60420  
ATOM 1886c H61 NM5 C1173 38.736 -25.772 -51.239 1.00 0.00 H  
  
Ignored bad PDB record found on line 60421  
ATOM 1886e H61 NM5 C1173 31.641 -29.268 -41.697 1.00 0.00 H  
  
Duplicate atom serial number found: 18870  
Duplicate atom serial number found: 18872  
Duplicate atom serial number found: 18874  
Duplicate atom serial number found: 18876  
Duplicate atom serial number found: 18878  
Ignored bad PDB record found on line 60427  
ATOM 1887a H62 NM5 C1173 37.831 -27.252 -51.403 1.00 0.00 H  
  
Ignored bad PDB record found on line 60428  
ATOM 1887c H62 NM5 C1173 30.647 -30.638 -42.037 1.00 0.00 H  
  
Ignored bad PDB record found on line 60429  
ATOM 1887e H4O NM5 C1173 37.618 -29.396 -42.298 1.00 0.00 H  
  
Duplicate atom serial number found: 18880  
Duplicate atom serial number found: 18882  
Duplicate atom serial number found: 18884  
Duplicate atom serial number found: 18886  
Duplicate atom serial number found: 18888  
Ignored bad PDB record found on line 60435  
ATOM 1888a H6O NM5 C1173 29.575 -25.475 -47.094 1.00 0.00 H  
  
Ignored bad PDB record found on line 60436  
ATOM 1888c H6O NM5 C1173 45.915 -32.540 -42.307 1.00 0.00 H  
  
Ignored bad PDB record found on line 60437  
ATOM 1888e H6O NM5 C1173 37.818 -27.056 -48.838 1.00 0.00 H  
  
Duplicate atom serial number found: 18890  
Duplicate atom serial number found: 18892  
Duplicate atom serial number found: 18894  
Duplicate atom serial number found: 18896  
Duplicate atom serial number found: 18898  
Ignored bad PDB record found on line 60443  
ATOM 1889a H1_5 NM5 C1173 40.452 -30.078 -48.344 1.00 0.00 H  
  
Ignored bad PDB record found on line 60444  
ATOM 1889c H1_6 NM5 C1173 45.269 -26.954 -42.113 1.00 0.00 H  
  
Ignored bad PDB record found on line 60445  
ATOM 1889e H2_1 NM5 C1173 32.776 -22.479 -44.301 1.00 0.00 H  
  
Ignored bad PDB record found on line 60446  
ATOM 188a0 H2_2 NM5 C1173 33.628 -28.184 -44.796 1.00 0.00 H  
  
Ignored bad PDB record found on line 60447  
ATOM 188a2 H2_3 NM5 C1173 36.274 -32.577 -43.289 1.00 0.00 H  
  
46 messages similar to the above omitted  
Duplicate atom serial number found: 18900  
Duplicate atom serial number found: 18902  
Duplicate atom serial number found: 18904  
Duplicate atom serial number found: 18906  
Duplicate atom serial number found: 18908  
Ignored bad PDB record found on line 60499  
ATOM 1890a C2N NM5 C1175 25.953 22.394 -53.297 1.00 0.00 C  
  
Ignored bad PDB record found on line 60500  
ATOM 1890c N2 NM5 C1175 22.299 15.171 -53.989 1.00 0.00 N  
  
Ignored bad PDB record found on line 60501  
ATOM 1890e N2_1 NM5 C1175 26.894 21.481 -53.086 1.00 0.00 N  
  
Duplicate atom serial number found: 18910  
Duplicate atom serial number found: 18912  
Duplicate atom serial number found: 18914  
Duplicate atom serial number found: 18916  
Duplicate atom serial number found: 18918  
Ignored bad PDB record found on line 60507  
ATOM 1891a O2N NM5 C1175 21.582 13.281 -53.579 1.00 0.00 O  
  
Ignored bad PDB record found on line 60508  
ATOM 1891c O2N NM5 C1175 24.918 22.501 -52.583 1.00 0.00 O  
  
Ignored bad PDB record found on line 60509  
ATOM 1891e C3 NM5 C1175 23.806 17.142 -53.609 1.00 0.00 C  
  
Duplicate atom serial number found: 18920  
Duplicate atom serial number found: 18922  
Duplicate atom serial number found: 18924  
Duplicate atom serial number found: 18926  
Duplicate atom serial number found: 18928  
Ignored bad PDB record found on line 60515  
ATOM 1892a C3_6 NM5 C1175 34.725 28.877 -42.322 1.00 0.00 C  
  
Ignored bad PDB record found on line 60516  
ATOM 1892c O3 NM5 C1175 24.806 16.292 -52.986 1.00 0.00 O  
  
Ignored bad PDB record found on line 60517  
ATOM 1892e O3_1 NM5 C1175 28.491 21.654 -50.632 1.00 0.00 O  
  
Duplicate atom serial number found: 18930  
Duplicate atom serial number found: 18932  
Duplicate atom serial number found: 18934  
Duplicate atom serial number found: 18936  
Duplicate atom serial number found: 18938  
Ignored bad PDB record found on line 60523  
ATOM 1893a C4 NM5 C1175 24.535 18.412 -54.134 1.00 0.00 C  
  
Ignored bad PDB record found on line 60524  
ATOM 1893c C4_1 NM5 C1175 28.047 19.276 -50.137 1.00 0.00 C  
  
Ignored bad PDB record found on line 60525  
ATOM 1893e C4_2 NM5 C1175 30.952 21.018 -45.992 1.00 0.00 C  
  
Duplicate atom serial number found: 18940  
Duplicate atom serial number found: 18942  
Duplicate atom serial number found: 18944  
Duplicate atom serial number found: 18946  
Duplicate atom serial number found: 18948  
Ignored bad PDB record found on line 60531  
ATOM 1894a O4_1 NM5 C1175 29.426 19.166 -49.460 1.00 0.00 O  
  
Ignored bad PDB record found on line 60532  
ATOM 1894c O4_2 NM5 C1175 30.983 21.369 -44.544 1.00 0.00 O  
  
Ignored bad PDB record found on line 60533  
ATOM 1894e O4_3 NM5 C1175 35.439 15.454 -45.171 1.00 0.00 O  
  
Duplicate atom serial number found: 18950  
Duplicate atom serial number found: 18952  
Duplicate atom serial number found: 18954  
Duplicate atom serial number found: 18956  
Duplicate atom serial number found: 18958  
Ignored bad PDB record found on line 60539  
ATOM 1895a C5_2 NM5 C1175 29.730 21.536 -46.738 1.00 0.00 C  
  
Ignored bad PDB record found on line 60540  
ATOM 1895c C5_3 NM5 C1175 33.209 16.094 -45.724 1.00 0.00 C  
  
Ignored bad PDB record found on line 60541  
ATOM 1895e C5_4 NM5 C1175 32.341 24.711 -44.727 1.00 0.00 C  
  
Duplicate atom serial number found: 18960  
Duplicate atom serial number found: 18962  
Duplicate atom serial number found: 18964  
Duplicate atom serial number found: 18966  
Duplicate atom serial number found: 18968  
Ignored bad PDB record found on line 60547  
ATOM 1896a O5_3 NM5 C1175 31.884 16.583 -45.213 1.00 0.00 O  
  
Ignored bad PDB record found on line 60548  
ATOM 1896c O5_4 NM5 C1175 31.104 25.157 -45.441 1.00 0.00 O  
  
Ignored bad PDB record found on line 60549  
ATOM 1896e O5_5 NM5 C1175 34.401 23.860 -49.596 1.00 0.00 O  
  
Duplicate atom serial number found: 18970  
Duplicate atom serial number found: 18972  
Duplicate atom serial number found: 18974  
Duplicate atom serial number found: 18976  
Duplicate atom serial number found: 18978  
Ignored bad PDB record found on line 60555  
ATOM 1897a C6_4 NM5 C1175 32.278 25.149 -43.251 1.00 0.00 C  
  
Ignored bad PDB record found on line 60556  
ATOM 1897c C6_5 NM5 C1175 33.043 23.661 -51.657 1.00 0.00 C  
  
Ignored bad PDB record found on line 60557  
ATOM 1897e C6_6 NM5 C1175 37.073 25.892 -41.930 1.00 0.00 C  
  
Duplicate atom serial number found: 18980  
Duplicate atom serial number found: 18982  
Duplicate atom serial number found: 18984  
Duplicate atom serial number found: 18986  
Duplicate atom serial number found: 18988  
Ignored bad PDB record found on line 60563  
ATOM 1898a O6_5 NM5 C1175 33.773 22.559 -52.123 1.00 0.00 O  
  
Ignored bad PDB record found on line 60564  
ATOM 1898c O6_6 NM5 C1175 36.762 24.524 -41.980 1.00 0.00 O  
  
Ignored bad PDB record found on line 60565  
ATOM 1898e H1 NM5 C1175 21.253 17.254 -55.331 1.00 0.00 H  
  
Duplicate atom serial number found: 18990  
Duplicate atom serial number found: 18992  
Duplicate atom serial number found: 18994  
Duplicate atom serial number found: 18996  
Duplicate atom serial number found: 18998  
Ignored bad PDB record found on line 60571  
ATOM 1899a H1M NM5 C1175 27.151 23.764 -54.433 1.00 0.00 H  
  
Ignored bad PDB record found on line 60572  
ATOM 1899c H2M NM5 C1175 23.757 12.634 -55.179 1.00 0.00 H  
  
Ignored bad PDB record found on line 60573  
ATOM 1899e H2M NM5 C1175 25.454 24.226 -54.248 1.00 0.00 H  
  
Ignored bad PDB record found on line 60574  
ATOM 189a0 H2N NM5 C1175 21.789 15.463 -53.167 1.00 0.00 H  
  
Ignored bad PDB record found on line 60575  
ATOM 189a2 H2N NM5 C1175 27.605 21.243 -53.762 1.00 0.00 H  
  
814 messages similar to the above omitted  
Duplicate atom serial number found: 19000  
Duplicate atom serial number found: 19002  
Duplicate atom serial number found: 19004  
Duplicate atom serial number found: 19006  
Duplicate atom serial number found: 19008  
Ignored bad PDB record found on line 61395  
ATOM 1900a HWS SOL W 88 -62.393 -80.186 87.033 1.00 0.00 H  
  
Ignored bad PDB record found on line 61396  
ATOM 1900c HWS SOL W 88 -62.420 -79.201 88.183 1.00 0.00 H  
  
Ignored bad PDB record found on line 61397  
ATOM 1900e OWS SOL W 89 -83.155 87.937 80.274 1.00 0.00 O  
  
Duplicate atom serial number found: 19010  
Duplicate atom serial number found: 19012  
Duplicate atom serial number found: 19014  
Duplicate atom serial number found: 19016  
Duplicate atom serial number found: 19018  
Ignored bad PDB record found on line 61403  
ATOM 1901a OWS SOL W 91 -73.186 -70.076 -88.768 1.00 0.00 O  
  
Ignored bad PDB record found on line 61404  
ATOM 1901c HWS SOL W 91 -73.664 -70.900 -88.864 1.00 0.00 H  
  
Ignored bad PDB record found on line 61405  
ATOM 1901e HWS SOL W 91 -72.741 -69.958 -89.607 1.00 0.00 H  
  
Duplicate atom serial number found: 19020  
Duplicate atom serial number found: 19022  
Duplicate atom serial number found: 19024  
Duplicate atom serial number found: 19026  
Duplicate atom serial number found: 19028  
Ignored bad PDB record found on line 61411  
ATOM 1902a HWS SOL W 93 -84.443 84.640 87.120 1.00 0.00 H  
  
Ignored bad PDB record found on line 61412  
ATOM 1902c OWS SOL W 94 68.082 89.727 -88.747 1.00 0.00 O  
  
Ignored bad PDB record found on line 61413  
ATOM 1902e HWS SOL W 94 68.395 88.842 -88.561 1.00 0.00 H  
  
Duplicate atom serial number found: 19030  
Duplicate atom serial number found: 19032  
Duplicate atom serial number found: 19034  
Duplicate atom serial number found: 19036  
Duplicate atom serial number found: 19038  
Ignored bad PDB record found on line 61419  
ATOM 1903a HWS SOL W 96 -79.686 -80.867 -87.012 1.00 0.00 H  
  
Ignored bad PDB record found on line 61420  
ATOM 1903c HWS SOL W 96 -79.101 -80.216 -85.777 1.00 0.00 H  
  
Ignored bad PDB record found on line 61421  
ATOM 1903e OWS SOL W 97 -60.491 -46.091 -72.612 1.00 0.00 O  
  
Duplicate atom serial number found: 19040  
Duplicate atom serial number found: 19042  
Duplicate atom serial number found: 19044  
Duplicate atom serial number found: 19046  
Duplicate atom serial number found: 19048  
Ignored bad PDB record found on line 61427  
ATOM 1904a OWS SOL W 99 -80.187 71.187 87.826 1.00 0.00 O  
  
Ignored bad PDB record found on line 61428  
ATOM 1904c HWS SOL W 99 -79.278 71.147 88.123 1.00 0.00 H  
  
Ignored bad PDB record found on line 61429  
ATOM 1904e HWS SOL W 99 -80.288 72.074 87.480 1.00 0.00 H  
  
Duplicate atom serial number found: 19050  
Duplicate atom serial number found: 19052  
Duplicate atom serial number found: 19054  
Duplicate atom serial number found: 19056  
Duplicate atom serial number found: 19058  
Ignored bad PDB record found on line 61435  
ATOM 1905a HWS SOL W 101 -77.843 84.597 -83.912 1.00 0.00 H  
  
Ignored bad PDB record found on line 61436  
ATOM 1905c OWS SOL W 102 -86.259 -71.511 86.955 1.00 0.00 O  
  
Ignored bad PDB record found on line 61437  
ATOM 1905e HWS SOL W 102 -86.821 -71.851 86.259 1.00 0.00 H  
  
Duplicate atom serial number found: 19060  
Duplicate atom serial number found: 19062  
Duplicate atom serial number found: 19064  
Duplicate atom serial number found: 19066  
Duplicate atom serial number found: 19068  
Ignored bad PDB record found on line 61443  
ATOM 1906a HWS SOL W 104 -62.275 -76.841 -86.385 1.00 0.00 H  
  
Ignored bad PDB record found on line 61444  
ATOM 1906c HWS SOL W 104 -61.159 -77.828 -86.653 1.00 0.00 H  
  
Ignored bad PDB record found on line 61445  
ATOM 1906e OWS SOL W 105 -76.763 -69.484 81.164 1.00 0.00 O  
  
Duplicate atom serial number found: 19070  
Duplicate atom serial number found: 19072  
Duplicate atom serial number found: 19074  
Duplicate atom serial number found: 19076  
Duplicate atom serial number found: 19078  
Ignored bad PDB record found on line 61451  
ATOM 1907a OWS SOL W 107 90.217 -87.205 -90.120 1.00 0.00 O  
  
Ignored bad PDB record found on line 61452  
ATOM 1907c HWS SOL W 107 89.752 -86.721 -89.438 1.00 0.00 H  
  
Ignored bad PDB record found on line 61453  
ATOM 1907e HWS SOL W 107 89.526 -87.645 -90.615 1.00 0.00 H  
  
Duplicate atom serial number found: 19080  
Duplicate atom serial number found: 19082  
Duplicate atom serial number found: 19084  
Duplicate atom serial number found: 19086  
Duplicate atom serial number found: 19088  
Ignored bad PDB record found on line 61459  
ATOM 1908a HWS SOL W 109 -78.745 -82.179 -74.513 1.00 0.00 H  
  
Ignored bad PDB record found on line 61460  
ATOM 1908c OWS SOL W 110 85.917 -89.178 89.082 1.00 0.00 O  
  
Ignored bad PDB record found on line 61461  
ATOM 1908e HWS SOL W 110 85.255 -88.935 88.435 1.00 0.00 H  
  
Duplicate atom serial number found: 19090  
Duplicate atom serial number found: 19092  
Duplicate atom serial number found: 19094  
Duplicate atom serial number found: 19096  
Duplicate atom serial number found: 19098  
Ignored bad PDB record found on line 61467  
ATOM 1909a HWS SOL W 112 83.703 -84.362 -76.480 1.00 0.00 H  
  
Ignored bad PDB record found on line 61468  
ATOM 1909c HWS SOL W 112 84.179 -82.971 -76.844 1.00 0.00 H  
  
Ignored bad PDB record found on line 61469  
ATOM 1909e OWS SOL W 113 -80.137 82.036 -78.443 1.00 0.00 O  
  
Ignored bad PDB record found on line 61470  
ATOM 190a0 HWS SOL W 113 -79.284 81.600 -78.465 1.00 0.00 H  
  
Ignored bad PDB record found on line 61471  
ATOM 190a2 HWS SOL W 113 -80.172 82.536 -79.258 1.00 0.00 H  
  
46 messages similar to the above omitted  
Duplicate atom serial number found: 19100  
Duplicate atom serial number found: 19102  
Duplicate atom serial number found: 19104  
Duplicate atom serial number found: 19106  
Duplicate atom serial number found: 19108  
Ignored bad PDB record found on line 61523  
ATOM 1910a OWS SOL W 131 -74.319 87.329 -80.322 1.00 0.00 O  
  
Ignored bad PDB record found on line 61524  
ATOM 1910c HWS SOL W 131 -73.507 87.161 -79.845 1.00 0.00 H  
  
Ignored bad PDB record found on line 61525  
ATOM 1910e HWS SOL W 131 -74.035 87.564 -81.206 1.00 0.00 H  
  
Duplicate atom serial number found: 19110  
Duplicate atom serial number found: 19112  
Duplicate atom serial number found: 19114  
Duplicate atom serial number found: 19116  
Duplicate atom serial number found: 19118  
Ignored bad PDB record found on line 61531  
ATOM 1911a HWS SOL W 133 -43.620 -82.733 -86.606 1.00 0.00 H  
  
Ignored bad PDB record found on line 61532  
ATOM 1911c OWS SOL W 134 -60.555 -71.546 -88.534 1.00 0.00 O  
  
Ignored bad PDB record found on line 61533  
ATOM 1911e HWS SOL W 134 -60.380 -72.474 -88.692 1.00 0.00 H  
  
Duplicate atom serial number found: 19120  
Duplicate atom serial number found: 19122  
Duplicate atom serial number found: 19124  
Duplicate atom serial number found: 19126  
Duplicate atom serial number found: 19128  
Ignored bad PDB record found on line 61539  
ATOM 1912a HWS SOL W 137 86.652 87.850 -84.673 1.00 0.00 H  
  
Ignored bad PDB record found on line 61540  
ATOM 1912c HWS SOL W 137 85.592 88.058 -85.733 1.00 0.00 H  
  
Ignored bad PDB record found on line 61541  
ATOM 1912e OWS SOL W 138 -69.709 -85.307 -86.694 1.00 0.00 O  
  
Duplicate atom serial number found: 19130  
Duplicate atom serial number found: 19132  
Duplicate atom serial number found: 19134  
Duplicate atom serial number found: 19136  
Duplicate atom serial number found: 19138  
Ignored bad PDB record found on line 61547  
ATOM 1913a OWS SOL W 140 -85.086 -78.425 -88.498 1.00 0.00 O  
  
Ignored bad PDB record found on line 61548  
ATOM 1913c HWS SOL W 140 -85.708 -78.149 -89.171 1.00 0.00 H  
  
Ignored bad PDB record found on line 61549  
ATOM 1913e HWS SOL W 140 -85.022 -77.674 -87.908 1.00 0.00 H  
  
Duplicate atom serial number found: 19140  
Duplicate atom serial number found: 19142  
Duplicate atom serial number found: 19144  
Duplicate atom serial number found: 19146  
Duplicate atom serial number found: 19148  
Ignored bad PDB record found on line 61555  
ATOM 1914a HWS SOL W 142 -54.376 -81.129 82.715 1.00 0.00 H  
  
Ignored bad PDB record found on line 61556  
ATOM 1914c OWS SOL W 143 83.673 88.531 76.365 1.00 0.00 O  
  
Ignored bad PDB record found on line 61557  
ATOM 1914e HWS SOL W 143 82.921 88.141 75.920 1.00 0.00 H  
  
Duplicate atom serial number found: 19150  
Duplicate atom serial number found: 19152  
Duplicate atom serial number found: 19154  
Duplicate atom serial number found: 19156  
Duplicate atom serial number found: 19158  
Ignored bad PDB record found on line 61563  
ATOM 1915a HWS SOL W 145 77.214 -77.677 -84.970 1.00 0.00 H  
  
Ignored bad PDB record found on line 61564  
ATOM 1915c HWS SOL W 145 77.800 -77.608 -83.576 1.00 0.00 H  
  
Ignored bad PDB record found on line 61565  
ATOM 1915e OWS SOL W 146 -81.369 -78.996 -80.841 1.00 0.00 O  
  
Duplicate atom serial number found: 19160  
Duplicate atom serial number found: 19162  
Duplicate atom serial number found: 19164  
Duplicate atom serial number found: 19166  
Duplicate atom serial number found: 19168  
Ignored bad PDB record found on line 61571  
ATOM 1916a OWS SOL W 148 87.635 69.167 89.124 1.00 0.00 O  
  
Ignored bad PDB record found on line 61572  
ATOM 1916c HWS SOL W 148 87.056 69.924 89.209 1.00 0.00 H  
  
Ignored bad PDB record found on line 61573  
ATOM 1916e HWS SOL W 148 87.045 68.414 89.097 1.00 0.00 H  
  
Duplicate atom serial number found: 19170  
Duplicate atom serial number found: 19172  
Duplicate atom serial number found: 19174  
Duplicate atom serial number found: 19176  
Duplicate atom serial number found: 19178  
Ignored bad PDB record found on line 61579  
ATOM 1917a HWS SOL W 150 -80.798 -70.786 -70.803 1.00 0.00 H  
  
Ignored bad PDB record found on line 61580  
ATOM 1917c OWS SOL W 151 -83.857 -80.914 -89.311 1.00 0.00 O  
  
Ignored bad PDB record found on line 61581  
ATOM 1917e HWS SOL W 151 -83.771 -81.350 -88.463 1.00 0.00 H  
  
Duplicate atom serial number found: 19180  
Duplicate atom serial number found: 19182  
Duplicate atom serial number found: 19184  
Duplicate atom serial number found: 19186  
Duplicate atom serial number found: 19188  
Ignored bad PDB record found on line 61587  
ATOM 1918a HWS SOL W 153 -83.135 -65.455 -76.027 1.00 0.00 H  
  
Ignored bad PDB record found on line 61588  
ATOM 1918c HWS SOL W 153 -84.232 -64.412 -75.996 1.00 0.00 H  
  
Ignored bad PDB record found on line 61589  
ATOM 1918e OWS SOL W 154 -60.948 -80.201 72.565 1.00 0.00 O  
  
Duplicate atom serial number found: 19190  
Duplicate atom serial number found: 19192  
Duplicate atom serial number found: 19194  
Duplicate atom serial number found: 19196  
Duplicate atom serial number found: 19198  
Ignored bad PDB record found on line 61595  
ATOM 1919a OWS SOL W 156 -62.337 -78.841 74.586 1.00 0.00 O  
  
Ignored bad PDB record found on line 61596  
ATOM 1919c HWS SOL W 156 -62.069 -79.499 73.945 1.00 0.00 H  
  
Ignored bad PDB record found on line 61597  
ATOM 1919e HWS SOL W 156 -63.289 -78.923 74.631 1.00 0.00 H  
  
Ignored bad PDB record found on line 61598  
ATOM 191a0 OWS SOL W 157 85.819 -61.063 79.853 1.00 0.00 O  
  
Ignored bad PDB record found on line 61599  
ATOM 191a2 HWS SOL W 157 86.493 -60.413 79.653 1.00 0.00 H  
  
46 messages similar to the above omitted  
Duplicate atom serial number found: 19200  
Duplicate atom serial number found: 19202  
Duplicate atom serial number found: 19204  
Duplicate atom serial number found: 19206  
Duplicate atom serial number found: 19208  
Ignored bad PDB record found on line 61651  
ATOM 1920a HWS SOL W 174 -72.601 78.097 -86.273 1.00 0.00 H  
  
Ignored bad PDB record found on line 61652  
ATOM 1920c OWS SOL W 175 -62.578 -83.259 78.625 1.00 0.00 O  
  
Ignored bad PDB record found on line 61653  
ATOM 1920e HWS SOL W 175 -62.861 -82.762 77.857 1.00 0.00 H  
  
Duplicate atom serial number found: 19210  
Duplicate atom serial number found: 19212  
Duplicate atom serial number found: 19214  
Duplicate atom serial number found: 19216  
Duplicate atom serial number found: 19218  
Ignored bad PDB record found on line 61659  
ATOM 1921a HWS SOL W 177 -79.805 -86.881 79.961 1.00 0.00 H  
  
Ignored bad PDB record found on line 61660  
ATOM 1921c HWS SOL W 177 -78.988 -86.193 81.033 1.00 0.00 H  
  
Ignored bad PDB record found on line 61661  
ATOM 1921e OWS SOL W 178 -48.977 -75.883 -79.721 1.00 0.00 O  
  
Duplicate atom serial number found: 19220  
Duplicate atom serial number found: 19222  
Duplicate atom serial number found: 19224  
Duplicate atom serial number found: 19226  
Duplicate atom serial number found: 19228  
Ignored bad PDB record found on line 61667  
ATOM 1922a OWS SOL W 180 -67.829 83.195 -81.735 1.00 0.00 O  
  
Ignored bad PDB record found on line 61668  
ATOM 1922c HWS SOL W 180 -66.921 83.159 -82.037 1.00 0.00 H  
  
Ignored bad PDB record found on line 61669  
ATOM 1922e HWS SOL W 180 -67.967 82.359 -81.290 1.00 0.00 H  
  
Duplicate atom serial number found: 19230  
Duplicate atom serial number found: 19232  
Duplicate atom serial number found: 19234  
Duplicate atom serial number found: 19236  
Duplicate atom serial number found: 19238  
Ignored bad PDB record found on line 61675  
ATOM 1923a HWS SOL W 182 -83.824 -76.376 -51.971 1.00 0.00 H  
  
Ignored bad PDB record found on line 61676  
ATOM 1923c OWS SOL W 183 87.646 -74.390 87.174 1.00 0.00 O  
  
Ignored bad PDB record found on line 61677  
ATOM 1923e HWS SOL W 183 87.910 -74.286 88.088 1.00 0.00 H  
  
Duplicate atom serial number found: 19240  
Duplicate atom serial number found: 19242  
Duplicate atom serial number found: 19244  
Duplicate atom serial number found: 19246  
Duplicate atom serial number found: 19248  
Ignored bad PDB record found on line 61683  
ATOM 1924a HWS SOL W 185 -58.734 -81.912 -80.131 1.00 0.00 H  
  
Ignored bad PDB record found on line 61684  
ATOM 1924c HWS SOL W 185 -58.825 -80.424 -80.392 1.00 0.00 H  
  
Ignored bad PDB record found on line 61685  
ATOM 1924e OWS SOL W 186 -82.581 -65.015 -81.799 1.00 0.00 O  
  
Duplicate atom serial number found: 19250  
Duplicate atom serial number found: 19252  
Duplicate atom serial number found: 19254  
Duplicate atom serial number found: 19256  
Duplicate atom serial number found: 19258  
Ignored bad PDB record found on line 61691  
ATOM 1925a OWS SOL W 188 -84.287 89.638 82.098 1.00 0.00 O  
  
Ignored bad PDB record found on line 61692  
ATOM 1925c HWS SOL W 188 -84.016 88.858 81.613 1.00 0.00 H  
  
Ignored bad PDB record found on line 61693  
ATOM 1925e HWS SOL W 188 -83.979 90.371 81.565 1.00 0.00 H  
  
Duplicate atom serial number found: 19260  
Duplicate atom serial number found: 19262  
Duplicate atom serial number found: 19264  
Duplicate atom serial number found: 19266  
Duplicate atom serial number found: 19268  
Ignored bad PDB record found on line 61699  
ATOM 1926a HWS SOL W 190 -71.458 86.755 -84.196 1.00 0.00 H  
  
Ignored bad PDB record found on line 61700  
ATOM 1926c OWS SOL W 191 89.639 -69.074 -89.076 1.00 0.00 O  
  
Ignored bad PDB record found on line 61701  
ATOM 1926e HWS SOL W 191 89.829 -68.261 -89.543 1.00 0.00 H  
  
Duplicate atom serial number found: 19270  
Duplicate atom serial number found: 19272  
Duplicate atom serial number found: 19274  
Duplicate atom serial number found: 19276  
Duplicate atom serial number found: 19278  
Ignored bad PDB record found on line 61707  
ATOM 1927a HWS SOL W 193 -68.341 -72.633 -78.021 1.00 0.00 H  
  
Ignored bad PDB record found on line 61708  
ATOM 1927c HWS SOL W 193 -69.449 -73.520 -78.549 1.00 0.00 H  
  
Ignored bad PDB record found on line 61709  
ATOM 1927e OWS SOL W 194 -86.934 -80.507 85.737 1.00 0.00 O  
  
Duplicate atom serial number found: 19280  
Duplicate atom serial number found: 19282  
Duplicate atom serial number found: 19284  
Duplicate atom serial number found: 19286  
Duplicate atom serial number found: 19288  
Ignored bad PDB record found on line 61715  
ATOM 1928a OWS SOL W 196 -65.597 -77.356 -71.447 1.00 0.00 O  
  
Ignored bad PDB record found on line 61716  
ATOM 1928c HWS SOL W 196 -65.441 -78.158 -70.948 1.00 0.00 H  
  
Ignored bad PDB record found on line 61717  
ATOM 1928e HWS SOL W 196 -65.727 -76.681 -70.781 1.00 0.00 H  
  
Duplicate atom serial number found: 19290  
Duplicate atom serial number found: 19292  
Duplicate atom serial number found: 19294  
Duplicate atom serial number found: 19296  
Duplicate atom serial number found: 19298  
Ignored bad PDB record found on line 61723  
ATOM 1929a HWS SOL W 198 -87.441 -75.688 -79.591 1.00 0.00 H  
  
Ignored bad PDB record found on line 61724  
ATOM 1929c OWS SOL W 199 89.804 82.713 -85.549 1.00 0.00 O  
  
Ignored bad PDB record found on line 61725  
ATOM 1929e HWS SOL W 199 89.086 82.083 -85.482 1.00 0.00 H  
  
Ignored bad PDB record found on line 61726  
ATOM 192a0 HWS SOL W 199 90.536 82.290 -85.101 1.00 0.00 H  
  
Ignored bad PDB record found on line 61727  
ATOM 192a2 OWS SOL W 200 89.034 79.909 -65.345 1.00 0.00 O  
  
46 messages similar to the above omitted  
Duplicate atom serial number found: 19300  
Duplicate atom serial number found: 19302  
Duplicate atom serial number found: 19304  
Duplicate atom serial number found: 19306  
Duplicate atom serial number found: 19308  
Ignored bad PDB record found on line 61779  
ATOM 1930a HWS SOL W 217 -77.121 -84.467 -90.591 1.00 0.00 H  
  
Ignored bad PDB record found on line 61780  
ATOM 1930c HWS SOL W 217 -76.284 -83.743 -89.557 1.00 0.00 H  
  
Ignored bad PDB record found on line 61781  
ATOM 1930e OWS SOL W 218 -70.794 -82.643 76.325 1.00 0.00 O  
  
Duplicate atom serial number found: 19310  
Duplicate atom serial number found: 19312  
Duplicate atom serial number found: 19314  
Duplicate atom serial number found: 19316  
Duplicate atom serial number found: 19318  
Ignored bad PDB record found on line 61787  
ATOM 1931a OWS SOL W 220 -65.542 77.344 -68.476 1.00 0.00 O  
  
Ignored bad PDB record found on line 61788  
ATOM 1931c HWS SOL W 220 -65.501 76.565 -67.921 1.00 0.00 H  
  
Ignored bad PDB record found on line 61789  
ATOM 1931e HWS SOL W 220 -65.461 77.007 -69.368 1.00 0.00 H  
  
Duplicate atom serial number found: 19320  
Duplicate atom serial number found: 19322  
Duplicate atom serial number found: 19324  
Duplicate atom serial number found: 19326  
Duplicate atom serial number found: 19328  
Ignored bad PDB record found on line 61795  
ATOM 1932a HWS SOL W 222 -74.795 90.552 85.024 1.00 0.00 H  
  
Ignored bad PDB record found on line 61796  
ATOM 1932c OWS SOL W 223 -70.471 -62.725 -76.370 1.00 0.00 O  
  
Ignored bad PDB record found on line 61797  
ATOM 1932e HWS SOL W 223 -71.218 -63.221 -76.705 1.00 0.00 H  
  
Duplicate atom serial number found: 19330  
Duplicate atom serial number found: 19332  
Duplicate atom serial number found: 19334  
Duplicate atom serial number found: 19336  
Duplicate atom serial number found: 19338  
Ignored bad PDB record found on line 61803  
ATOM 1933a HWS SOL W 225 -73.747 -89.130 -89.562 1.00 0.00 H  
  
Ignored bad PDB record found on line 61804  
ATOM 1933c HWS SOL W 225 -73.270 -90.553 -89.755 1.00 0.00 H  
  
Ignored bad PDB record found on line 61805  
ATOM 1933e OWS SOL W 226 -78.159 87.315 84.318 1.00 0.00 O  
  
Duplicate atom serial number found: 19340  
Duplicate atom serial number found: 19342  
Duplicate atom serial number found: 19344  
Duplicate atom serial number found: 19346  
Duplicate atom serial number found: 19348  
Ignored bad PDB record found on line 61811  
ATOM 1934a OWS SOL W 228 -88.859 -73.777 -72.377 1.00 0.00 O  
  
Ignored bad PDB record found on line 61812  
ATOM 1934c HWS SOL W 228 -88.204 -73.421 -71.776 1.00 0.00 H  
  
Ignored bad PDB record found on line 61813  
ATOM 1934e HWS SOL W 228 -88.533 -74.650 -72.597 1.00 0.00 H  
  
Duplicate atom serial number found: 19350  
Duplicate atom serial number found: 19352  
Duplicate atom serial number found: 19354  
Duplicate atom serial number found: 19356  
Duplicate atom serial number found: 19358  
Ignored bad PDB record found on line 61819  
ATOM 1935a HWS SOL W 230 -65.724 86.662 -71.955 1.00 0.00 H  
  
Ignored bad PDB record found on line 61820  
ATOM 1935c OWS SOL W 231 -86.735 -67.399 -62.532 1.00 0.00 O  
  
Ignored bad PDB record found on line 61821  
ATOM 1935e HWS SOL W 231 -85.790 -67.543 -62.478 1.00 0.00 H  
  
Duplicate atom serial number found: 19360  
Duplicate atom serial number found: 19362  
Duplicate atom serial number found: 19364  
Duplicate atom serial number found: 19366  
Duplicate atom serial number found: 19368  
Ignored bad PDB record found on line 61827  
ATOM 1936a HWS SOL W 233 -66.384 65.727 -86.934 1.00 0.00 H  
  
Ignored bad PDB record found on line 61828  
ATOM 1936c HWS SOL W 233 -67.532 66.708 -86.829 1.00 0.00 H  
  
Ignored bad PDB record found on line 61829  
ATOM 1936e OWS SOL W 234 -67.814 -86.492 -68.010 1.00 0.00 O  
  
Duplicate atom serial number found: 19370  
Duplicate atom serial number found: 19372  
Duplicate atom serial number found: 19374  
Duplicate atom serial number found: 19376  
Duplicate atom serial number found: 19378  
Ignored bad PDB record found on line 61835  
ATOM 1937a OWS SOL W 236 -74.096 77.054 -68.380 1.00 0.00 O  
  
Ignored bad PDB record found on line 61836  
ATOM 1937c HWS SOL W 236 -73.440 77.692 -68.659 1.00 0.00 H  
  
Ignored bad PDB record found on line 61837  
ATOM 1937e HWS SOL W 236 -73.598 76.390 -67.904 1.00 0.00 H  
  
Duplicate atom serial number found: 19380  
Duplicate atom serial number found: 19382  
Duplicate atom serial number found: 19384  
Duplicate atom serial number found: 19386  
Duplicate atom serial number found: 19388  
Ignored bad PDB record found on line 61843  
ATOM 1938a HWS SOL W 238 -65.340 79.392 -76.132 1.00 0.00 H  
  
Ignored bad PDB record found on line 61844  
ATOM 1938c OWS SOL W 239 -76.923 78.021 -83.429 1.00 0.00 O  
  
Ignored bad PDB record found on line 61845  
ATOM 1938e HWS SOL W 239 -77.550 77.299 -83.381 1.00 0.00 H  
  
Duplicate atom serial number found: 19390  
Duplicate atom serial number found: 19392  
Duplicate atom serial number found: 19394  
Duplicate atom serial number found: 19396  
Duplicate atom serial number found: 19398  
Ignored bad PDB record found on line 61851  
ATOM 1939a HWS SOL W 241 -76.477 -60.306 -86.259 1.00 0.00 H  
  
Ignored bad PDB record found on line 61852  
ATOM 1939c HWS SOL W 241 -75.806 -61.544 -86.815 1.00 0.00 H  
  
Ignored bad PDB record found on line 61853  
ATOM 1939e OWS SOL W 242 -63.220 82.282 -82.346 1.00 0.00 O  
  
Ignored bad PDB record found on line 61854  
ATOM 193a0 HWS SOL W 242 -63.829 83.017 -82.410 1.00 0.00 H  
  
Ignored bad PDB record found on line 61855  
ATOM 193a2 HWS SOL W 242 -62.571 82.447 -83.031 1.00 0.00 H  
  
46 messages similar to the above omitted  
Duplicate atom serial number found: 19400  
Duplicate atom serial number found: 19402  
Duplicate atom serial number found: 19404  
Duplicate atom serial number found: 19406  
Duplicate atom serial number found: 19408  
Ignored bad PDB record found on line 61907  
ATOM 1940a OWS SOL W 260 82.261 -78.020 -72.519 1.00 0.00 O  
  
Ignored bad PDB record found on line 61908  
ATOM 1940c HWS SOL W 260 81.450 -78.474 -72.748 1.00 0.00 H  
  
Ignored bad PDB record found on line 61909  
ATOM 1940e HWS SOL W 260 82.428 -77.439 -73.261 1.00 0.00 H  
  
Duplicate atom serial number found: 19410  
Duplicate atom serial number found: 19412  
Duplicate atom serial number found: 19414  
Duplicate atom serial number found: 19416  
Duplicate atom serial number found: 19418  
Ignored bad PDB record found on line 61915  
ATOM 1941a HWS SOL W 262 -80.035 76.489 -83.296 1.00 0.00 H  
  
Ignored bad PDB record found on line 61916  
ATOM 1941c OWS SOL W 263 -66.307 -77.028 -79.248 1.00 0.00 O  
  
Ignored bad PDB record found on line 61917  
ATOM 1941e HWS SOL W 263 -65.556 -76.483 -79.481 1.00 0.00 H  
  
Duplicate atom serial number found: 19420  
Duplicate atom serial number found: 19422  
Duplicate atom serial number found: 19424  
Duplicate atom serial number found: 19426  
Duplicate atom serial number found: 19428  
Ignored bad PDB record found on line 61923  
ATOM 1942a HWS SOL W 265 -46.443 79.452 -72.854 1.00 0.00 H  
  
Ignored bad PDB record found on line 61924  
ATOM 1942c HWS SOL W 265 -45.283 79.780 -71.937 1.00 0.00 H  
  
Ignored bad PDB record found on line 61925  
ATOM 1942e OWS SOL W 266 -57.573 -85.510 -80.955 1.00 0.00 O  
  
Duplicate atom serial number found: 19430  
Duplicate atom serial number found: 19432  
Duplicate atom serial number found: 19434  
Duplicate atom serial number found: 19436  
Duplicate atom serial number found: 19438  
Ignored bad PDB record found on line 61931  
ATOM 1943a OWS SOL W 268 -80.865 -78.720 -50.788 1.00 0.00 O  
  
Ignored bad PDB record found on line 61932  
ATOM 1943c HWS SOL W 268 -80.247 -78.357 -51.422 1.00 0.00 H  
  
Ignored bad PDB record found on line 61933  
ATOM 1943e HWS SOL W 268 -81.541 -79.136 -51.323 1.00 0.00 H  
  
Duplicate atom serial number found: 19440  
Duplicate atom serial number found: 19442  
Duplicate atom serial number found: 19444  
Duplicate atom serial number found: 19446  
Duplicate atom serial number found: 19448  
Ignored bad PDB record found on line 61939  
ATOM 1944a HWS SOL W 270 -58.693 -86.726 -60.463 1.00 0.00 H  
  
Ignored bad PDB record found on line 61940  
ATOM 1944c OWS SOL W 271 -65.656 86.605 -59.343 1.00 0.00 O  
  
Ignored bad PDB record found on line 61941  
ATOM 1944e HWS SOL W 271 -65.568 86.898 -60.250 1.00 0.00 H  
  
Duplicate atom serial number found: 19450  
Duplicate atom serial number found: 19452  
Duplicate atom serial number found: 19454  
Duplicate atom serial number found: 19456  
Duplicate atom serial number found: 19458  
Ignored bad PDB record found on line 61947  
ATOM 1945a HWS SOL W 273 -73.783 84.710 -65.378 1.00 0.00 H  
  
Ignored bad PDB record found on line 61948  
ATOM 1945c HWS SOL W 273 -73.451 84.637 -66.853 1.00 0.00 H  
  
Ignored bad PDB record found on line 61949  
ATOM 1945e OWS SOL W 274 -76.408 -81.482 -33.691 1.00 0.00 O  
  
Duplicate atom serial number found: 19460  
Duplicate atom serial number found: 19462  
Duplicate atom serial number found: 19464  
Duplicate atom serial number found: 19466  
Duplicate atom serial number found: 19468  
Ignored bad PDB record found on line 61955  
ATOM 1946a OWS SOL W 276 -89.025 -82.480 -75.539 1.00 0.00 O  
  
Ignored bad PDB record found on line 61956  
ATOM 1946c HWS SOL W 276 -89.980 -82.545 -75.528 1.00 0.00 H  
  
Ignored bad PDB record found on line 61957  
ATOM 1946e HWS SOL W 276 -88.772 -82.805 -76.403 1.00 0.00 H  
  
Duplicate atom serial number found: 19470  
Duplicate atom serial number found: 19472  
Duplicate atom serial number found: 19474  
Duplicate atom serial number found: 19476  
Duplicate atom serial number found: 19478  
Ignored bad PDB record found on line 61963  
ATOM 1947a HWS SOL W 278 -73.685 -78.723 -49.219 1.00 0.00 H  
  
Ignored bad PDB record found on line 61964  
ATOM 1947c OWS SOL W 279 -71.001 -89.476 -60.919 1.00 0.00 O  
  
Ignored bad PDB record found on line 61965  
ATOM 1947e HWS SOL W 279 -71.938 -89.631 -60.799 1.00 0.00 H  
  
Duplicate atom serial number found: 19480  
Duplicate atom serial number found: 19482  
Duplicate atom serial number found: 19484  
Duplicate atom serial number found: 19486  
Duplicate atom serial number found: 19488  
Ignored bad PDB record found on line 61971  
ATOM 1948a HWS SOL W 281 -63.966 -75.098 -80.105 1.00 0.00 H  
  
Ignored bad PDB record found on line 61972  
ATOM 1948c HWS SOL W 281 -65.080 -74.401 -80.857 1.00 0.00 H  
  
Ignored bad PDB record found on line 61973  
ATOM 1948e OWS SOL W 282 -68.662 -78.293 -57.342 1.00 0.00 O  
  
Duplicate atom serial number found: 19490  
Duplicate atom serial number found: 19492  
Duplicate atom serial number found: 19494  
Duplicate atom serial number found: 19496  
Duplicate atom serial number found: 19498  
Ignored bad PDB record found on line 61979  
ATOM 1949a OWS SOL W 284 -78.635 80.663 -33.698 1.00 0.00 O  
  
Ignored bad PDB record found on line 61980  
ATOM 1949c HWS SOL W 284 -78.397 81.388 -34.276 1.00 0.00 H  
  
Ignored bad PDB record found on line 61981  
ATOM 1949e HWS SOL W 284 -78.230 79.894 -34.099 1.00 0.00 H  
  
Ignored bad PDB record found on line 61982  
ATOM 194a0 OWS SOL W 285 86.551 71.137 -62.759 1.00 0.00 O  
  
Ignored bad PDB record found on line 61983  
ATOM 194a2 HWS SOL W 285 86.233 71.997 -62.485 1.00 0.00 H  
  
46 messages similar to the above omitted  
Duplicate atom serial number found: 19500  
Duplicate atom serial number found: 19502  
Duplicate atom serial number found: 19504  
Duplicate atom serial number found: 19506  
Duplicate atom serial number found: 19508  
Ignored bad PDB record found on line 62035  
ATOM 1950a HWS SOL W 302 -67.598 -80.043 -61.884 1.00 0.00 H  
  
Ignored bad PDB record found on line 62036  
ATOM 1950c OWS SOL W 303 -58.148 -73.472 -58.348 1.00 0.00 O  
  
Ignored bad PDB record found on line 62037  
ATOM 1950e HWS SOL W 303 -57.322 -73.663 -58.793 1.00 0.00 H  
  
Duplicate atom serial number found: 19510  
Duplicate atom serial number found: 19512  
Duplicate atom serial number found: 19514  
Duplicate atom serial number found: 19516  
Duplicate atom serial number found: 19518  
Ignored bad PDB record found on line 62043  
ATOM 1951a HWS SOL W 305 -89.276 -83.205 -29.417 1.00 0.00 H  
  
Ignored bad PDB record found on line 62044  
ATOM 1951c HWS SOL W 305 -88.413 -83.034 -30.649 1.00 0.00 H  
  
Ignored bad PDB record found on line 62045  
ATOM 1951e OWS SOL W 306 -62.884 -71.895 -85.025 1.00 0.00 O  
  
Duplicate atom serial number found: 19520  
Duplicate atom serial number found: 19522  
Duplicate atom serial number found: 19524  
Duplicate atom serial number found: 19526  
Duplicate atom serial number found: 19528  
Ignored bad PDB record found on line 62051  
ATOM 1952a OWS SOL W 308 83.760 -84.466 -59.780 1.00 0.00 O  
  
Ignored bad PDB record found on line 62052  
ATOM 1952c HWS SOL W 308 83.617 -83.731 -59.185 1.00 0.00 H  
  
Ignored bad PDB record found on line 62053  
ATOM 1952e HWS SOL W 308 84.134 -84.070 -60.567 1.00 0.00 H  
  
Duplicate atom serial number found: 19530  
Duplicate atom serial number found: 19532  
Duplicate atom serial number found: 19534  
Duplicate atom serial number found: 19536  
Duplicate atom serial number found: 19538  
Ignored bad PDB record found on line 62059  
ATOM 1953a HWS SOL W 310 -76.133 84.116 -54.433 1.00 0.00 H  
  
Ignored bad PDB record found on line 62060  
ATOM 1953c OWS SOL W 311 -77.082 83.570 -84.973 1.00 0.00 O  
  
Ignored bad PDB record found on line 62061  
ATOM 1953e HWS SOL W 311 -76.834 83.022 -85.717 1.00 0.00 H  
  
Duplicate atom serial number found: 19540  
Duplicate atom serial number found: 19542  
Duplicate atom serial number found: 19544  
Duplicate atom serial number found: 19546  
Duplicate atom serial number found: 19548  
Ignored bad PDB record found on line 62067  
ATOM 1954a HWS SOL W 313 -71.568 -83.808 -72.855 1.00 0.00 H  
  
Ignored bad PDB record found on line 62068  
ATOM 1954c HWS SOL W 313 -71.617 -82.329 -73.174 1.00 0.00 H  
  
Ignored bad PDB record found on line 62069  
ATOM 1954e OWS SOL W 314 -69.324 83.673 -72.653 1.00 0.00 O  
  
Duplicate atom serial number found: 19550  
Duplicate atom serial number found: 19552  
Duplicate atom serial number found: 19554  
Duplicate atom serial number found: 19556  
Duplicate atom serial number found: 19558  
Ignored bad PDB record found on line 62075  
ATOM 1955a OWS SOL W 316 75.311 -79.583 -57.269 1.00 0.00 O  
  
Ignored bad PDB record found on line 62076  
ATOM 1955c HWS SOL W 316 75.542 -79.469 -56.348 1.00 0.00 H  
  
Ignored bad PDB record found on line 62077  
ATOM 1955e HWS SOL W 316 74.465 -80.032 -57.251 1.00 0.00 H  
  
Duplicate atom serial number found: 19560  
Duplicate atom serial number found: 19562  
Duplicate atom serial number found: 19564  
Duplicate atom serial number found: 19566  
Duplicate atom serial number found: 19568  
Ignored bad PDB record found on line 62083  
ATOM 1956a HWS SOL W 318 -77.978 -80.992 -40.859 1.00 0.00 H  
  
Ignored bad PDB record found on line 62084  
ATOM 1956c OWS SOL W 319 -73.569 -68.177 -77.007 1.00 0.00 O  
  
Ignored bad PDB record found on line 62085  
ATOM 1956e HWS SOL W 319 -74.492 -68.288 -77.232 1.00 0.00 H  
  
Duplicate atom serial number found: 19570  
Duplicate atom serial number found: 19572  
Duplicate atom serial number found: 19574  
Duplicate atom serial number found: 19576  
Duplicate atom serial number found: 19578  
Ignored bad PDB record found on line 62091  
ATOM 1957a HWS SOL W 321 -61.058 -70.974 -56.045 1.00 0.00 H  
  
Ignored bad PDB record found on line 62092  
ATOM 1957c HWS SOL W 321 -62.298 -70.392 -55.402 1.00 0.00 H  
  
Ignored bad PDB record found on line 62093  
ATOM 1957e OWS SOL W 322 87.709 -74.985 -65.956 1.00 0.00 O  
  
Duplicate atom serial number found: 19580  
Duplicate atom serial number found: 19582  
Duplicate atom serial number found: 19584  
Duplicate atom serial number found: 19586  
Duplicate atom serial number found: 19588  
Ignored bad PDB record found on line 62099  
ATOM 1958a OWS SOL W 324 -73.311 -80.635 -67.129 1.00 0.00 O  
  
Ignored bad PDB record found on line 62100  
ATOM 1958c HWS SOL W 324 -72.686 -80.993 -67.760 1.00 0.00 H  
  
Ignored bad PDB record found on line 62101  
ATOM 1958e HWS SOL W 324 -73.067 -81.037 -66.295 1.00 0.00 H  
  
Duplicate atom serial number found: 19590  
Duplicate atom serial number found: 19592  
Duplicate atom serial number found: 19594  
Duplicate atom serial number found: 19596  
Duplicate atom serial number found: 19598  
Ignored bad PDB record found on line 62107  
ATOM 1959a HWS SOL W 326 -69.193 -84.546 -60.547 1.00 0.00 H  
  
Ignored bad PDB record found on line 62108  
ATOM 1959c OWS SOL W 327 -70.811 -87.549 -48.104 1.00 0.00 O  
  
Ignored bad PDB record found on line 62109  
ATOM 1959e HWS SOL W 327 -70.891 -86.783 -47.535 1.00 0.00 H  
  
Ignored bad PDB record found on line 62110  
ATOM 195a0 HWS SOL W 327 -70.313 -87.235 -48.859 1.00 0.00 H  
  
Ignored bad PDB record found on line 62111  
ATOM 195a2 OWS SOL W 328 -81.997 -77.187 -71.454 1.00 0.00 O  
  
46 messages similar to the above omitted  
Duplicate atom serial number found: 19600  
Duplicate atom serial number found: 19602  
Duplicate atom serial number found: 19604  
Duplicate atom serial number found: 19606  
Duplicate atom serial number found: 19608  
Ignored bad PDB record found on line 62163  
ATOM 1960a HWS SOL W 345 -89.032 -66.719 -67.978 1.00 0.00 H  
  
Ignored bad PDB record found on line 62164  
ATOM 1960c HWS SOL W 345 -87.829 -67.636 -67.945 1.00 0.00 H  
  
Ignored bad PDB record found on line 62165  
ATOM 1960e OWS SOL W 346 -74.497 -87.269 -67.585 1.00 0.00 O  
  
Duplicate atom serial number found: 19610  
Duplicate atom serial number found: 19612  
Duplicate atom serial number found: 19614  
Duplicate atom serial number found: 19616  
Duplicate atom serial number found: 19618  
Ignored bad PDB record found on line 62171  
ATOM 1961a OWS SOL W 348 -77.008 -78.907 -50.796 1.00 0.00 O  
  
Ignored bad PDB record found on line 62172  
ATOM 1961c HWS SOL W 348 -77.739 -78.443 -50.388 1.00 0.00 H  
  
Ignored bad PDB record found on line 62173  
ATOM 1961e HWS SOL W 348 -77.412 -79.665 -51.219 1.00 0.00 H  
  
Duplicate atom serial number found: 19620  
Duplicate atom serial number found: 19622  
Duplicate atom serial number found: 19624  
Duplicate atom serial number found: 19626  
Duplicate atom serial number found: 19628  
Ignored bad PDB record found on line 62179  
ATOM 1962a HWS SOL W 350 -74.422 -72.778 -48.912 1.00 0.00 H  
  
Ignored bad PDB record found on line 62180  
ATOM 1962c OWS SOL W 351 -66.315 -63.424 -47.009 1.00 0.00 O  
  
Ignored bad PDB record found on line 62181  
ATOM 1962e HWS SOL W 351 -66.331 -62.635 -47.550 1.00 0.00 H  
  
Duplicate atom serial number found: 19630  
Duplicate atom serial number found: 19632  
Duplicate atom serial number found: 19634  
Duplicate atom serial number found: 19636  
Duplicate atom serial number found: 19638  
Ignored bad PDB record found on line 62187  
ATOM 1963a HWS SOL W 353 -78.785 -86.535 -63.827 1.00 0.00 H  
  
Ignored bad PDB record found on line 62188  
ATOM 1963c HWS SOL W 353 -79.892 -87.294 -63.126 1.00 0.00 H  
  
Ignored bad PDB record found on line 62189  
ATOM 1963e OWS SOL W 354 -77.358 87.008 -76.313 1.00 0.00 O  
  
Duplicate atom serial number found: 19640  
Duplicate atom serial number found: 19642  
Duplicate atom serial number found: 19644  
Duplicate atom serial number found: 19646  
Duplicate atom serial number found: 19648  
Ignored bad PDB record found on line 62195  
ATOM 1964a OWS SOL W 356 -80.552 -81.667 -33.802 1.00 0.00 O  
  
Ignored bad PDB record found on line 62196  
ATOM 1964c HWS SOL W 356 -79.758 -82.163 -33.603 1.00 0.00 H  
  
Ignored bad PDB record found on line 62197  
ATOM 1964e HWS SOL W 356 -80.814 -81.972 -34.671 1.00 0.00 H  
  
Duplicate atom serial number found: 19650  
Duplicate atom serial number found: 19652  
Duplicate atom serial number found: 19654  
Duplicate atom serial number found: 19656  
Duplicate atom serial number found: 19658  
Ignored bad PDB record found on line 62203  
ATOM 1965a HWS SOL W 358 -81.742 85.012 -68.578 1.00 0.00 H  
  
Ignored bad PDB record found on line 62204  
ATOM 1965c OWS SOL W 359 88.653 -64.091 -70.818 1.00 0.00 O  
  
Ignored bad PDB record found on line 62205  
ATOM 1965e HWS SOL W 359 88.986 -64.769 -71.406 1.00 0.00 H  
  
Duplicate atom serial number found: 19660  
Duplicate atom serial number found: 19662  
Duplicate atom serial number found: 19664  
Duplicate atom serial number found: 19666  
Duplicate atom serial number found: 19668  
Ignored bad PDB record found on line 62211  
ATOM 1966a HWS SOL W 361 -56.643 66.715 -65.332 1.00 0.00 H  
  
Ignored bad PDB record found on line 62212  
ATOM 1966c HWS SOL W 361 -55.331 67.471 -65.333 1.00 0.00 H  
  
Ignored bad PDB record found on line 62213  
ATOM 1966e OWS SOL W 362 -84.972 -70.656 -52.609 1.00 0.00 O  
  
Duplicate atom serial number found: 19670  
Duplicate atom serial number found: 19672  
Duplicate atom serial number found: 19674  
Duplicate atom serial number found: 19676  
Duplicate atom serial number found: 19678  
Ignored bad PDB record found on line 62219  
ATOM 1967a OWS SOL W 364 -68.771 86.303 -71.861 1.00 0.00 O  
  
Ignored bad PDB record found on line 62220  
ATOM 1967c HWS SOL W 364 -68.774 85.368 -72.064 1.00 0.00 H  
  
Ignored bad PDB record found on line 62221  
ATOM 1967e HWS SOL W 364 -67.876 86.484 -71.577 1.00 0.00 H  
  
Duplicate atom serial number found: 19680  
Duplicate atom serial number found: 19682  
Duplicate atom serial number found: 19684  
Duplicate atom serial number found: 19686  
Duplicate atom serial number found: 19688  
Ignored bad PDB record found on line 62227  
ATOM 1968a HWS SOL W 366 -58.151 -62.914 -60.987 1.00 0.00 H  
  
Ignored bad PDB record found on line 62228  
ATOM 1968c OWS SOL W 367 -75.767 -85.879 -74.943 1.00 0.00 O  
  
Ignored bad PDB record found on line 62229  
ATOM 1968e HWS SOL W 367 -76.002 -86.100 -74.041 1.00 0.00 H  
  
Duplicate atom serial number found: 19690  
Duplicate atom serial number found: 19692  
Duplicate atom serial number found: 19694  
Duplicate atom serial number found: 19696  
Duplicate atom serial number found: 19698  
Ignored bad PDB record found on line 62235  
ATOM 1969a HWS SOL W 369 -86.328 -87.330 -77.292 1.00 0.00 H  
  
Ignored bad PDB record found on line 62236  
ATOM 1969c HWS SOL W 369 -85.584 -87.281 -78.610 1.00 0.00 H  
  
Ignored bad PDB record found on line 62237  
ATOM 1969e OWS SOL W 370 85.299 -78.997 -67.325 1.00 0.00 O  
  
Ignored bad PDB record found on line 62238  
ATOM 196a0 HWS SOL W 370 85.225 -78.623 -68.204 1.00 0.00 H  
  
Ignored bad PDB record found on line 62239  
ATOM 196a2 HWS SOL W 370 85.798 -79.804 -67.449 1.00 0.00 H  
  
46 messages similar to the above omitted  
Duplicate atom serial number found: 19700  
Duplicate atom serial number found: 19702  
Duplicate atom serial number found: 19704  
Duplicate atom serial number found: 19706  
Duplicate atom serial number found: 19708  
Ignored bad PDB record found on line 62291  
ATOM 1970a OWS SOL W 388 -80.261 85.371 -45.540 1.00 0.00 O  
  
Ignored bad PDB record found on line 62292  
ATOM 1970c HWS SOL W 388 -81.126 85.738 -45.357 1.00 0.00 H  
  
Ignored bad PDB record found on line 62293  
ATOM 1970e HWS SOL W 388 -80.006 85.764 -46.375 1.00 0.00 H  
  
Duplicate atom serial number found: 19710  
Duplicate atom serial number found: 19712  
Duplicate atom serial number found: 19714  
Duplicate atom serial number found: 19716  
Duplicate atom serial number found: 19718  
Ignored bad PDB record found on line 62299  
ATOM 1971a HWS SOL W 390 77.561 -69.617 -68.384 1.00 0.00 H  
  
Ignored bad PDB record found on line 62300  
ATOM 1971c OWS SOL W 391 -78.058 -69.846 -66.816 1.00 0.00 O  
  
Ignored bad PDB record found on line 62301  
ATOM 1971e HWS SOL W 391 -78.043 -68.889 -66.796 1.00 0.00 H  
  
Duplicate atom serial number found: 19720  
Duplicate atom serial number found: 19722  
Duplicate atom serial number found: 19724  
Duplicate atom serial number found: 19726  
Duplicate atom serial number found: 19728  
Ignored bad PDB record found on line 62307  
ATOM 1972a HWS SOL W 393 -82.566 79.882 -71.305 1.00 0.00 H  
  
Ignored bad PDB record found on line 62308  
ATOM 1972c HWS SOL W 393 -82.144 81.100 -70.511 1.00 0.00 H  
  
Ignored bad PDB record found on line 62309  
ATOM 1972e OWS SOL W 394 -78.793 -72.534 -51.549 1.00 0.00 O  
  
Duplicate atom serial number found: 19730  
Duplicate atom serial number found: 19732  
Duplicate atom serial number found: 19734  
Duplicate atom serial number found: 19736  
Duplicate atom serial number found: 19738  
Ignored bad PDB record found on line 62315  
ATOM 1973a OWS SOL W 396 -63.137 87.618 -53.692 1.00 0.00 O  
  
Ignored bad PDB record found on line 62316  
ATOM 1973c HWS SOL W 396 -64.090 87.547 -53.731 1.00 0.00 H  
  
Ignored bad PDB record found on line 62317  
ATOM 1973e HWS SOL W 396 -62.836 86.726 -53.523 1.00 0.00 H  
  
Duplicate atom serial number found: 19740  
Duplicate atom serial number found: 19742  
Duplicate atom serial number found: 19744  
Duplicate atom serial number found: 19746  
Duplicate atom serial number found: 19748  
Ignored bad PDB record found on line 62323  
ATOM 1974a HWS SOL W 398 -74.530 78.443 -50.565 1.00 0.00 H  
  
Ignored bad PDB record found on line 62324  
ATOM 1974c OWS SOL W 399 -68.634 -69.071 -58.791 1.00 0.00 O  
  
Ignored bad PDB record found on line 62325  
ATOM 1974e HWS SOL W 399 -68.435 -69.569 -57.998 1.00 0.00 H  
  
Duplicate atom serial number found: 19750  
Duplicate atom serial number found: 19752  
Duplicate atom serial number found: 19754  
Duplicate atom serial number found: 19756  
Duplicate atom serial number found: 19758  
Ignored bad PDB record found on line 62331  
ATOM 1975a HWS SOL W 401 -87.561 -52.393 -80.614 1.00 0.00 H  
  
Ignored bad PDB record found on line 62332  
ATOM 1975c HWS SOL W 401 -86.668 -53.596 -80.396 1.00 0.00 H  
  
Ignored bad PDB record found on line 62333  
ATOM 1975e OWS SOL W 402 -78.186 -84.253 -41.991 1.00 0.00 O  
  
Duplicate atom serial number found: 19760  
Duplicate atom serial number found: 19762  
Duplicate atom serial number found: 19764  
Duplicate atom serial number found: 19766  
Duplicate atom serial number found: 19768  
Ignored bad PDB record found on line 62339  
ATOM 1976a OWS SOL W 404 74.755 -71.526 -51.224 1.00 0.00 O  
  
Ignored bad PDB record found on line 62340  
ATOM 1976c HWS SOL W 404 74.440 -71.115 -50.419 1.00 0.00 H  
  
Ignored bad PDB record found on line 62341  
ATOM 1976e HWS SOL W 404 74.340 -71.027 -51.927 1.00 0.00 H  
  
Duplicate atom serial number found: 19770  
Duplicate atom serial number found: 19772  
Duplicate atom serial number found: 19774  
Duplicate atom serial number found: 19776  
Duplicate atom serial number found: 19778  
Ignored bad PDB record found on line 62347  
ATOM 1977a HWS SOL W 406 -57.766 -84.813 -51.364 1.00 0.00 H  
  
Ignored bad PDB record found on line 62348  
ATOM 1977c OWS SOL W 407 -85.291 -77.652 -51.168 1.00 0.00 O  
  
Ignored bad PDB record found on line 62349  
ATOM 1977e HWS SOL W 407 -86.177 -77.792 -51.504 1.00 0.00 H  
  
Duplicate atom serial number found: 19780  
Duplicate atom serial number found: 19782  
Duplicate atom serial number found: 19784  
Duplicate atom serial number found: 19786  
Duplicate atom serial number found: 19788  
Ignored bad PDB record found on line 62355  
ATOM 1978a HWS SOL W 409 -86.674 -78.404 -70.921 1.00 0.00 H  
  
Ignored bad PDB record found on line 62356  
ATOM 1978c HWS SOL W 409 -85.626 -78.682 -71.977 1.00 0.00 H  
  
Ignored bad PDB record found on line 62357  
ATOM 1978e OWS SOL W 410 -79.969 -84.812 -50.492 1.00 0.00 O  
  
Duplicate atom serial number found: 19790  
Duplicate atom serial number found: 19792  
Duplicate atom serial number found: 19794  
Duplicate atom serial number found: 19796  
Duplicate atom serial number found: 19798  
Ignored bad PDB record found on line 62363  
ATOM 1979a OWS SOL W 412 -68.778 78.607 -88.306 1.00 0.00 O  
  
Ignored bad PDB record found on line 62364  
ATOM 1979c HWS SOL W 412 -68.141 77.938 -88.557 1.00 0.00 H  
  
Ignored bad PDB record found on line 62365  
ATOM 1979e HWS SOL W 412 -68.335 79.119 -87.629 1.00 0.00 H  
  
Ignored bad PDB record found on line 62366  
ATOM 197a0 OWS SOL W 413 -70.385 82.633 -65.305 1.00 0.00 O  
  
Ignored bad PDB record found on line 62367  
ATOM 197a2 HWS SOL W 413 -69.916 82.124 -64.644 1.00 0.00 H  
  
46 messages similar to the above omitted  
Duplicate atom serial number found: 19800  
Duplicate atom serial number found: 19802  
Duplicate atom serial number found: 19804  
Duplicate atom serial number found: 19806  
Duplicate atom serial number found: 19808  
Ignored bad PDB record found on line 62419  
ATOM 1980a HWS SOL W 430 -66.348 75.982 -45.066 1.00 0.00 H  
  
Ignored bad PDB record found on line 62420  
ATOM 1980c OWS SOL W 431 -82.725 85.732 -54.055 1.00 0.00 O  
  
Ignored bad PDB record found on line 62421  
ATOM 1980e HWS SOL W 431 -82.474 85.486 -54.945 1.00 0.00 H  
  
Duplicate atom serial number found: 19810  
Duplicate atom serial number found: 19812  
Duplicate atom serial number found: 19814  
Duplicate atom serial number found: 19816  
Duplicate atom serial number found: 19818  
Ignored bad PDB record found on line 62427  
ATOM 1981a HWS SOL W 433 -78.829 -74.717 -49.188 1.00 0.00 H  
  
Ignored bad PDB record found on line 62428  
ATOM 1981c HWS SOL W 433 -80.137 -75.298 -49.681 1.00 0.00 H  
  
Ignored bad PDB record found on line 62429  
ATOM 1981e OWS SOL W 434 -87.854 -71.944 -49.819 1.00 0.00 O  
  
Duplicate atom serial number found: 19820  
Duplicate atom serial number found: 19822  
Duplicate atom serial number found: 19824  
Duplicate atom serial number found: 19826  
Duplicate atom serial number found: 19828  
Ignored bad PDB record found on line 62435  
ATOM 1982a OWS SOL W 436 -88.611 -84.249 -65.961 1.00 0.00 O  
  
Ignored bad PDB record found on line 62436  
ATOM 1982c HWS SOL W 436 -89.342 -84.863 -65.883 1.00 0.00 H  
  
Ignored bad PDB record found on line 62437  
ATOM 1982e HWS SOL W 436 -88.997 -83.393 -65.778 1.00 0.00 H  
  
Duplicate atom serial number found: 19830  
Duplicate atom serial number found: 19832  
Duplicate atom serial number found: 19834  
Duplicate atom serial number found: 19836  
Duplicate atom serial number found: 19838  
Ignored bad PDB record found on line 62443  
ATOM 1983a HWS SOL W 438 -71.203 -62.500 -43.171 1.00 0.00 H  
  
Ignored bad PDB record found on line 62444  
ATOM 1983c OWS SOL W 439 -85.164 -71.704 -68.162 1.00 0.00 O  
  
Ignored bad PDB record found on line 62445  
ATOM 1983e HWS SOL W 439 -85.645 -71.222 -67.489 1.00 0.00 H  
  
Duplicate atom serial number found: 19840  
Duplicate atom serial number found: 19842  
Duplicate atom serial number found: 19844  
Duplicate atom serial number found: 19846  
Duplicate atom serial number found: 19848  
Ignored bad PDB record found on line 62451  
ATOM 1984a HWS SOL W 441 -86.859 -84.689 -68.451 1.00 0.00 H  
  
Ignored bad PDB record found on line 62452  
ATOM 1984c HWS SOL W 441 -87.682 -83.841 -67.505 1.00 0.00 H  
  
Ignored bad PDB record found on line 62453  
ATOM 1984e OWS SOL W 442 -84.627 82.691 -25.881 1.00 0.00 O  
  
Duplicate atom serial number found: 19850  
Duplicate atom serial number found: 19852  
Duplicate atom serial number found: 19854  
Duplicate atom serial number found: 19856  
Duplicate atom serial number found: 19858  
Ignored bad PDB record found on line 62459  
ATOM 1985a OWS SOL W 444 -75.304 -74.986 -46.432 1.00 0.00 O  
  
Ignored bad PDB record found on line 62460  
ATOM 1985c HWS SOL W 444 -76.241 -74.809 -46.522 1.00 0.00 H  
  
Ignored bad PDB record found on line 62461  
ATOM 1985e HWS SOL W 444 -74.906 -74.571 -47.197 1.00 0.00 H  
  
Duplicate atom serial number found: 19860  
Duplicate atom serial number found: 19862  
Duplicate atom serial number found: 19864  
Duplicate atom serial number found: 19866  
Duplicate atom serial number found: 19868  
Ignored bad PDB record found on line 62467  
ATOM 1986a HWS SOL W 446 -87.485 -82.047 -68.664 1.00 0.00 H  
  
Ignored bad PDB record found on line 62468  
ATOM 1986c OWS SOL W 447 -86.048 79.850 -70.666 1.00 0.00 O  
  
Ignored bad PDB record found on line 62469  
ATOM 1986e HWS SOL W 447 -85.476 80.174 -69.970 1.00 0.00 H  
  
Duplicate atom serial number found: 19870  
Duplicate atom serial number found: 19872  
Duplicate atom serial number found: 19874  
Duplicate atom serial number found: 19876  
Duplicate atom serial number found: 19878  
Ignored bad PDB record found on line 62475  
ATOM 1987a HWS SOL W 449 -63.623 -80.759 -55.413 1.00 0.00 H  
  
Ignored bad PDB record found on line 62476  
ATOM 1987c HWS SOL W 449 -63.245 -81.489 -54.142 1.00 0.00 H  
  
Ignored bad PDB record found on line 62477  
ATOM 1987e OWS SOL W 450 -61.750 89.513 -46.616 1.00 0.00 O  
  
Duplicate atom serial number found: 19880  
Duplicate atom serial number found: 19882  
Duplicate atom serial number found: 19884  
Duplicate atom serial number found: 19886  
Duplicate atom serial number found: 19888  
Ignored bad PDB record found on line 62483  
ATOM 1988a OWS SOL W 452 -86.574 75.542 -53.433 1.00 0.00 O  
  
Ignored bad PDB record found on line 62484  
ATOM 1988c HWS SOL W 452 -85.759 75.333 -53.889 1.00 0.00 H  
  
Ignored bad PDB record found on line 62485  
ATOM 1988e HWS SOL W 452 -86.294 75.998 -52.639 1.00 0.00 H  
  
Duplicate atom serial number found: 19890  
Duplicate atom serial number found: 19892  
Duplicate atom serial number found: 19894  
Duplicate atom serial number found: 19896  
Duplicate atom serial number found: 19898  
Ignored bad PDB record found on line 62491  
ATOM 1989a HWS SOL W 454 -82.336 85.545 -61.612 1.00 0.00 H  
  
Ignored bad PDB record found on line 62492  
ATOM 1989c OWS SOL W 455 -73.756 -68.518 -58.380 1.00 0.00 O  
  
Ignored bad PDB record found on line 62493  
ATOM 1989e HWS SOL W 455 -73.111 -69.163 -58.668 1.00 0.00 H  
  
Ignored bad PDB record found on line 62494  
ATOM 198a0 HWS SOL W 455 -74.357 -69.012 -57.822 1.00 0.00 H  
  
Ignored bad PDB record found on line 62495  
ATOM 198a2 OWS SOL W 456 -78.669 89.722 -50.505 1.00 0.00 O  
  
46 messages similar to the above omitted  
Duplicate atom serial number found: 19900  
Duplicate atom serial number found: 19902  
Duplicate atom serial number found: 19904  
Duplicate atom serial number found: 19906  
Duplicate atom serial number found: 19908  
Ignored bad PDB record found on line 62547  
ATOM 1990a HWS SOL W 473 -79.655 -76.944 -37.110 1.00 0.00 H  
  
Ignored bad PDB record found on line 62548  
ATOM 1990c HWS SOL W 473 -80.269 -76.681 -35.752 1.00 0.00 H  
  
Ignored bad PDB record found on line 62549  
ATOM 1990e OWS SOL W 474 -84.006 -76.647 -65.561 1.00 0.00 O  
  
Duplicate atom serial number found: 19910  
Duplicate atom serial number found: 19912  
Duplicate atom serial number found: 19914  
Duplicate atom serial number found: 19916  
Duplicate atom serial number found: 19918  
Ignored bad PDB record found on line 62555  
ATOM 1991a OWS SOL W 476 -70.850 -79.928 -55.894 1.00 0.00 O  
  
Ignored bad PDB record found on line 62556  
ATOM 1991c HWS SOL W 476 -69.902 -79.861 -55.785 1.00 0.00 H  
  
Ignored bad PDB record found on line 62557  
ATOM 1991e HWS SOL W 476 -71.205 -79.746 -55.024 1.00 0.00 H  
  
Duplicate atom serial number found: 19920  
Duplicate atom serial number found: 19922  
Duplicate atom serial number found: 19924  
Duplicate atom serial number found: 19926  
Duplicate atom serial number found: 19928  
Ignored bad PDB record found on line 62563  
ATOM 1992a HWS SOL W 478 -62.614 -83.183 -69.420 1.00 0.00 H  
  
Ignored bad PDB record found on line 62564  
ATOM 1992c OWS SOL W 479 -73.314 82.669 -58.391 1.00 0.00 O  
  
Ignored bad PDB record found on line 62565  
ATOM 1992e HWS SOL W 479 -73.894 82.015 -58.780 1.00 0.00 H  
  
Duplicate atom serial number found: 19930  
Duplicate atom serial number found: 19932  
Duplicate atom serial number found: 19934  
Duplicate atom serial number found: 19936  
Duplicate atom serial number found: 19938  
Ignored bad PDB record found on line 62571  
ATOM 1993a HWS SOL W 481 -69.467 -81.291 -35.366 1.00 0.00 H  
  
Ignored bad PDB record found on line 62572  
ATOM 1993c HWS SOL W 481 -70.360 -80.938 -34.195 1.00 0.00 H  
  
Ignored bad PDB record found on line 62573  
ATOM 1993e OWS SOL W 482 -68.293 -70.916 -37.911 1.00 0.00 O  
  
Duplicate atom serial number found: 19940  
Duplicate atom serial number found: 19942  
Duplicate atom serial number found: 19944  
Duplicate atom serial number found: 19946  
Duplicate atom serial number found: 19948  
Ignored bad PDB record found on line 62579  
ATOM 1994a OWS SOL W 484 -72.634 -68.034 -63.044 1.00 0.00 O  
  
Ignored bad PDB record found on line 62580  
ATOM 1994c HWS SOL W 484 -73.571 -67.847 -63.005 1.00 0.00 H  
  
Ignored bad PDB record found on line 62581  
ATOM 1994e HWS SOL W 484 -72.434 -68.438 -62.199 1.00 0.00 H  
  
Duplicate atom serial number found: 19950  
Duplicate atom serial number found: 19952  
Duplicate atom serial number found: 19954  
Duplicate atom serial number found: 19956  
Duplicate atom serial number found: 19958  
Ignored bad PDB record found on line 62587  
ATOM 1995a HWS SOL W 486 81.447 -80.445 -53.212 1.00 0.00 H  
  
Ignored bad PDB record found on line 62588  
ATOM 1995c OWS SOL W 487 -87.444 -79.471 -41.525 1.00 0.00 O  
  
Ignored bad PDB record found on line 62589  
ATOM 1995e HWS SOL W 487 -87.293 -78.736 -40.932 1.00 0.00 H  
  
Duplicate atom serial number found: 19960  
Duplicate atom serial number found: 19962  
Duplicate atom serial number found: 19964  
Duplicate atom serial number found: 19966  
Duplicate atom serial number found: 19968  
Ignored bad PDB record found on line 62595  
ATOM 1996a HWS SOL W 489 -80.982 -85.810 -64.804 1.00 0.00 H  
  
Ignored bad PDB record found on line 62596  
ATOM 1996c HWS SOL W 489 -82.241 -86.649 -64.856 1.00 0.00 H  
  
Ignored bad PDB record found on line 62597  
ATOM 1996e OWS SOL W 490 -71.447 -67.022 -68.413 1.00 0.00 O  
  
Duplicate atom serial number found: 19970  
Duplicate atom serial number found: 19972  
Duplicate atom serial number found: 19974  
Duplicate atom serial number found: 19976  
Duplicate atom serial number found: 19978  
Ignored bad PDB record found on line 62603  
ATOM 1997a OWS SOL W 492 -58.959 -86.781 -70.615 1.00 0.00 O  
  
Ignored bad PDB record found on line 62604  
ATOM 1997c HWS SOL W 492 -59.773 -87.273 -70.716 1.00 0.00 H  
  
Ignored bad PDB record found on line 62605  
ATOM 1997e HWS SOL W 492 -59.103 -85.974 -71.108 1.00 0.00 H  
  
Duplicate atom serial number found: 19980  
Duplicate atom serial number found: 19982  
Duplicate atom serial number found: 19984  
Duplicate atom serial number found: 19986  
Duplicate atom serial number found: 19988  
Ignored bad PDB record found on line 62611  
ATOM 1998a HWS SOL W 494 86.255 -68.664 -51.655 1.00 0.00 H  
  
Ignored bad PDB record found on line 62612  
ATOM 1998c OWS SOL W 495 -83.645 77.702 -54.034 1.00 0.00 O  
  
Ignored bad PDB record found on line 62613  
ATOM 1998e HWS SOL W 495 -84.268 77.823 -54.750 1.00 0.00 H  
  
Duplicate atom serial number found: 19990  
Duplicate atom serial number found: 19992  
Duplicate atom serial number found: 19994  
Duplicate atom serial number found: 19996  
Duplicate atom serial number found: 19998  
Ignored bad PDB record found on line 62619  
ATOM 1999a HWS SOL W 497 -70.599 -78.645 -52.548 1.00 0.00 H  
  
Ignored bad PDB record found on line 62620  
ATOM 1999c HWS SOL W 497 -69.360 -78.131 -53.251 1.00 0.00 H  
  
Ignored bad PDB record found on line 62621  
ATOM 1999e OWS SOL W 498 -77.027 -76.019 -51.041 1.00 0.00 O  
  
Ignored bad PDB record found on line 62622  
ATOM 199a0 HWS SOL W 498 -76.954 -76.908 -50.693 1.00 0.00 H  
  
Ignored bad PDB record found on line 62623  
ATOM 199a2 HWS SOL W 498 -77.896 -75.725 -50.768 1.00 0.00 H  
  
13102 messages similar to the above omitted  
Duplicate atom serial number found: 20000  
Duplicate atom serial number found: 20002  
Duplicate atom serial number found: 20004  
Duplicate atom serial number found: 20006  
Duplicate atom serial number found: 20008  
Ignored bad PDB record found on line 75731  
ATOM 2000a OWS SOL W4895 -73.124 -53.072 49.498 1.00 0.00 O  
  
Ignored bad PDB record found on line 75732  
ATOM 2000c HWS SOL W4895 -73.017 -53.976 49.792 1.00 0.00 H  
  
Ignored bad PDB record found on line 75733  
ATOM 2000e HWS SOL W4895 -73.852 -53.105 48.877 1.00 0.00 H  
  
Duplicate atom serial number found: 20010  
Duplicate atom serial number found: 20012  
Duplicate atom serial number found: 20014  
Duplicate atom serial number found: 20016  
Duplicate atom serial number found: 20018  
Ignored bad PDB record found on line 75739  
ATOM 2001a HWS SOL W4897 -73.331 -50.069 -87.361 1.00 0.00 H  
  
Ignored bad PDB record found on line 75740  
ATOM 2001c OWS SOL W4898 -81.133 -58.354 50.967 1.00 0.00 O  
  
Ignored bad PDB record found on line 75741  
ATOM 2001e HWS SOL W4898 -81.787 -59.014 51.197 1.00 0.00 H  
  
Duplicate atom serial number found: 20020  
Duplicate atom serial number found: 20022  
Duplicate atom serial number found: 20024  
Duplicate atom serial number found: 20026  
Duplicate atom serial number found: 20028  
Ignored bad PDB record found on line 75747  
ATOM 2002a HWS SOL W4900 -88.269 -52.711 60.672 1.00 0.00 H  
  
Ignored bad PDB record found on line 75748  
ATOM 2002c HWS SOL W4900 -87.676 -53.841 61.487 1.00 0.00 H  
  
Ignored bad PDB record found on line 75749  
ATOM 2002e OWS SOL W4901 86.403 -58.102 52.059 1.00 0.00 O  
  
Duplicate atom serial number found: 20030  
Duplicate atom serial number found: 20032  
Duplicate atom serial number found: 20034  
Duplicate atom serial number found: 20036  
Duplicate atom serial number found: 20038  
Ignored bad PDB record found on line 75755  
ATOM 2003a OWS SOL W4903 -86.122 -51.373 -85.631 1.00 0.00 O  
  
Ignored bad PDB record found on line 75756  
ATOM 2003c HWS SOL W4903 -86.125 -50.505 -85.229 1.00 0.00 H  
  
Ignored bad PDB record found on line 75757  
ATOM 2003e HWS SOL W4903 -86.831 -51.342 -86.273 1.00 0.00 H  
  
Duplicate atom serial number found: 20040  
Duplicate atom serial number found: 20042  
Duplicate atom serial number found: 20044  
Duplicate atom serial number found: 20046  
Duplicate atom serial number found: 20048  
Ignored bad PDB record found on line 75763  
ATOM 2004a HWS SOL W4905 68.169 -52.023 70.743 1.00 0.00 H  
  
Ignored bad PDB record found on line 75764  
ATOM 2004c OWS SOL W4906 -86.051 -58.428 60.487 1.00 0.00 O  
  
Ignored bad PDB record found on line 75765  
ATOM 2004e HWS SOL W4906 -86.164 -58.308 61.430 1.00 0.00 H  
  
Duplicate atom serial number found: 20050  
Duplicate atom serial number found: 20052  
Duplicate atom serial number found: 20054  
Duplicate atom serial number found: 20056  
Duplicate atom serial number found: 20058  
Ignored bad PDB record found on line 75771  
ATOM 2005a HWS SOL W4908 66.840 -47.931 63.450 1.00 0.00 H  
  
Ignored bad PDB record found on line 75772  
ATOM 2005c HWS SOL W4908 67.287 -46.976 62.364 1.00 0.00 H  
  
Ignored bad PDB record found on line 75773  
ATOM 2005e OWS SOL W4909 77.119 -55.499 52.048 1.00 0.00 O  
  
Duplicate atom serial number found: 20060  
Duplicate atom serial number found: 20062  
Duplicate atom serial number found: 20064  
Duplicate atom serial number found: 20066  
Duplicate atom serial number found: 20068  
Ignored bad PDB record found on line 75779  
ATOM 2006a OWS SOL W4911 75.962 -72.808 45.037 1.00 0.00 O  
  
Ignored bad PDB record found on line 75780  
ATOM 2006c HWS SOL W4911 76.547 -73.565 45.075 1.00 0.00 H  
  
Ignored bad PDB record found on line 75781  
ATOM 2006e HWS SOL W4911 75.174 -73.091 45.501 1.00 0.00 H  
  
Duplicate atom serial number found: 20070  
Duplicate atom serial number found: 20072  
Duplicate atom serial number found: 20074  
Duplicate atom serial number found: 20076  
Duplicate atom serial number found: 20078  
Ignored bad PDB record found on line 75787  
ATOM 2007a HWS SOL W4913 -63.828 -58.582 69.940 1.00 0.00 H  
  
Ignored bad PDB record found on line 75788  
ATOM 2007c OWS SOL W4914 -80.839 -73.358 72.119 1.00 0.00 O  
  
Ignored bad PDB record found on line 75789  
ATOM 2007e HWS SOL W4914 -81.183 -72.465 72.112 1.00 0.00 H  
  
Duplicate atom serial number found: 20080  
Duplicate atom serial number found: 20082  
Duplicate atom serial number found: 20084  
Duplicate atom serial number found: 20086  
Duplicate atom serial number found: 20088  
Ignored bad PDB record found on line 75795  
ATOM 2008a HWS SOL W4916 -84.811 -50.041 52.914 1.00 0.00 H  
  
Ignored bad PDB record found on line 75796  
ATOM 2008c HWS SOL W4916 -84.086 -48.829 52.366 1.00 0.00 H  
  
Ignored bad PDB record found on line 75797  
ATOM 2008e OWS SOL W4917 -73.190 -76.910 60.899 1.00 0.00 O  
  
Duplicate atom serial number found: 20090  
Duplicate atom serial number found: 20092  
Duplicate atom serial number found: 20094  
Duplicate atom serial number found: 20096  
Duplicate atom serial number found: 20098  
Ignored bad PDB record found on line 75803  
ATOM 2009a OWS SOL W4919 -70.233 -61.833 50.957 1.00 0.00 O  
  
Ignored bad PDB record found on line 75804  
ATOM 2009c HWS SOL W4919 -70.234 -61.436 51.828 1.00 0.00 H  
  
Ignored bad PDB record found on line 75805  
ATOM 2009e HWS SOL W4919 -69.396 -62.294 50.904 1.00 0.00 H  
  
Ignored bad PDB record found on line 75806  
ATOM 200a0 OWS SOL W4920 -88.620 -57.054 42.530 1.00 0.00 O  
  
Ignored bad PDB record found on line 75807  
ATOM 200a2 HWS SOL W4920 -89.013 -56.206 42.736 1.00 0.00 H  
  
46 messages similar to the above omitted  
Duplicate atom serial number found: 20100  
Duplicate atom serial number found: 20102  
Duplicate atom serial number found: 20104  
Duplicate atom serial number found: 20106  
Duplicate atom serial number found: 20108  
Ignored bad PDB record found on line 75859  
ATOM 2010a HWS SOL W4937 -83.603 -64.506 57.018 1.00 0.00 H  
  
Ignored bad PDB record found on line 75860  
ATOM 2010c OWS SOL W4938 89.660 -75.456 37.977 1.00 0.00 O  
  
Ignored bad PDB record found on line 75861  
ATOM 2010e HWS SOL W4938 90.311 -74.856 38.342 1.00 0.00 H  
  
Duplicate atom serial number found: 20110  
Duplicate atom serial number found: 20112  
Duplicate atom serial number found: 20114  
Duplicate atom serial number found: 20116  
Duplicate atom serial number found: 20118  
Ignored bad PDB record found on line 75867  
ATOM 2011a HWS SOL W4940 59.695 -66.516 41.183 1.00 0.00 H  
  
Ignored bad PDB record found on line 75868  
ATOM 2011c HWS SOL W4940 60.582 -67.256 40.204 1.00 0.00 H  
  
Ignored bad PDB record found on line 75869  
ATOM 2011e OWS SOL W4941 -60.794 -61.425 62.724 1.00 0.00 O  
  
Duplicate atom serial number found: 20120  
Duplicate atom serial number found: 20122  
Duplicate atom serial number found: 20124  
Duplicate atom serial number found: 20126  
Duplicate atom serial number found: 20128  
Ignored bad PDB record found on line 75875  
ATOM 2012a OWS SOL W4943 -88.503 -36.875 62.743 1.00 0.00 O  
  
Ignored bad PDB record found on line 75876  
ATOM 2012c HWS SOL W4943 -87.876 -36.561 62.092 1.00 0.00 H  
  
Ignored bad PDB record found on line 75877  
ATOM 2012e HWS SOL W4943 -89.352 -36.823 62.304 1.00 0.00 H  
  
Duplicate atom serial number found: 20130  
Duplicate atom serial number found: 20132  
Duplicate atom serial number found: 20134  
Duplicate atom serial number found: 20136  
Duplicate atom serial number found: 20138  
Ignored bad PDB record found on line 75883  
ATOM 2013a HWS SOL W4945 -69.049 -57.955 65.732 1.00 0.00 H  
  
Ignored bad PDB record found on line 75884  
ATOM 2013c OWS SOL W4946 -65.644 -83.404 66.372 1.00 0.00 O  
  
Ignored bad PDB record found on line 75885  
ATOM 2013e HWS SOL W4946 -64.966 -83.232 65.719 1.00 0.00 H  
  
Duplicate atom serial number found: 20140  
Duplicate atom serial number found: 20142  
Duplicate atom serial number found: 20144  
Duplicate atom serial number found: 20146  
Duplicate atom serial number found: 20148  
Ignored bad PDB record found on line 75891  
ATOM 2014a HWS SOL W4948 87.424 -55.298 53.551 1.00 0.00 H  
  
Ignored bad PDB record found on line 75892  
ATOM 2014c HWS SOL W4948 88.667 -56.122 53.812 1.00 0.00 H  
  
Ignored bad PDB record found on line 75893  
ATOM 2014e OWS SOL W4949 -77.756 -50.449 34.558 1.00 0.00 O  
  
Duplicate atom serial number found: 20150  
Duplicate atom serial number found: 20152  
Duplicate atom serial number found: 20154  
Duplicate atom serial number found: 20156  
Duplicate atom serial number found: 20158  
Ignored bad PDB record found on line 75899  
ATOM 2015a OWS SOL W4951 -89.376 -74.200 84.437 1.00 0.00 O  
  
Ignored bad PDB record found on line 75900  
ATOM 2015c HWS SOL W4951 -89.930 -74.771 84.969 1.00 0.00 H  
  
Ignored bad PDB record found on line 75901  
ATOM 2015e HWS SOL W4951 -89.520 -74.496 83.538 1.00 0.00 H  
  
Duplicate atom serial number found: 20160  
Duplicate atom serial number found: 20162  
Duplicate atom serial number found: 20164  
Duplicate atom serial number found: 20166  
Duplicate atom serial number found: 20168  
Ignored bad PDB record found on line 75907  
ATOM 2016a HWS SOL W4953 -61.946 -61.405 27.956 1.00 0.00 H  
  
Ignored bad PDB record found on line 75908  
ATOM 2016c OWS SOL W4954 87.100 -58.710 56.619 1.00 0.00 O  
  
Ignored bad PDB record found on line 75909  
ATOM 2016e HWS SOL W4954 86.491 -58.773 55.883 1.00 0.00 H  
  
Duplicate atom serial number found: 20170  
Duplicate atom serial number found: 20172  
Duplicate atom serial number found: 20174  
Duplicate atom serial number found: 20176  
Duplicate atom serial number found: 20178  
Ignored bad PDB record found on line 75915  
ATOM 2017a HWS SOL W4956 -69.926 -88.277 40.197 1.00 0.00 H  
  
Ignored bad PDB record found on line 75916  
ATOM 2017c HWS SOL W4956 -71.244 -87.636 39.821 1.00 0.00 H  
  
Ignored bad PDB record found on line 75917  
ATOM 2017e OWS SOL W4957 -77.272 -30.608 41.527 1.00 0.00 O  
  
Duplicate atom serial number found: 20180  
Duplicate atom serial number found: 20182  
Duplicate atom serial number found: 20184  
Duplicate atom serial number found: 20186  
Duplicate atom serial number found: 20188  
Ignored bad PDB record found on line 75923  
ATOM 2018a OWS SOL W4959 -77.035 -40.896 30.526 1.00 0.00 O  
  
Ignored bad PDB record found on line 75924  
ATOM 2018c HWS SOL W4959 -77.722 -40.339 30.160 1.00 0.00 H  
  
Ignored bad PDB record found on line 75925  
ATOM 2018e HWS SOL W4959 -77.493 -41.689 30.806 1.00 0.00 H  
  
Duplicate atom serial number found: 20190  
Duplicate atom serial number found: 20192  
Duplicate atom serial number found: 20194  
Duplicate atom serial number found: 20196  
Duplicate atom serial number found: 20198  
Ignored bad PDB record found on line 75931  
ATOM 2019a HWS SOL W4961 -83.005 -71.500 34.096 1.00 0.00 H  
  
Ignored bad PDB record found on line 75932  
ATOM 2019c OWS SOL W4962 -75.258 -51.486 42.577 1.00 0.00 O  
  
Ignored bad PDB record found on line 75933  
ATOM 2019e HWS SOL W4962 -74.420 -51.057 42.403 1.00 0.00 H  
  
Ignored bad PDB record found on line 75934  
ATOM 201a0 HWS SOL W4962 -75.020 -52.334 42.951 1.00 0.00 H  
  
Ignored bad PDB record found on line 75935  
ATOM 201a2 OWS SOL W4963 -80.162 -70.379 43.915 1.00 0.00 O  
  
46 messages similar to the above omitted  
Duplicate atom serial number found: 20200  
Duplicate atom serial number found: 20202  
Duplicate atom serial number found: 20204  
Duplicate atom serial number found: 20206  
Duplicate atom serial number found: 20208  
Ignored bad PDB record found on line 75987  
ATOM 2020a HWS SOL W4980 -82.902 -63.337 63.045 1.00 0.00 H  
  
Ignored bad PDB record found on line 75988  
ATOM 2020c HWS SOL W4980 -81.570 -63.596 63.718 1.00 0.00 H  
  
Ignored bad PDB record found on line 75989  
ATOM 2020e OWS SOL W4981 -49.396 -50.893 45.919 1.00 0.00 O  
  
Duplicate atom serial number found: 20210  
Duplicate atom serial number found: 20212  
Duplicate atom serial number found: 20214  
Duplicate atom serial number found: 20216  
Duplicate atom serial number found: 20218  
Ignored bad PDB record found on line 75995  
ATOM 2021a OWS SOL W4983 -63.852 -68.406 35.092 1.00 0.00 O  
  
Ignored bad PDB record found on line 75996  
ATOM 2021c HWS SOL W4983 -63.691 -67.711 35.731 1.00 0.00 H  
  
Ignored bad PDB record found on line 75997  
ATOM 2021e HWS SOL W4983 -64.645 -68.840 35.405 1.00 0.00 H  
  
Duplicate atom serial number found: 20220  
Duplicate atom serial number found: 20222  
Duplicate atom serial number found: 20224  
Duplicate atom serial number found: 20226  
Duplicate atom serial number found: 20228  
Ignored bad PDB record found on line 76003  
ATOM 2022a HWS SOL W4985 -81.626 -80.749 46.817 1.00 0.00 H  
  
Ignored bad PDB record found on line 76004  
ATOM 2022c OWS SOL W4986 76.704 -52.582 52.341 1.00 0.00 O  
  
Ignored bad PDB record found on line 76005  
ATOM 2022e HWS SOL W4986 76.113 -52.483 53.088 1.00 0.00 H  
  
Duplicate atom serial number found: 20230  
Duplicate atom serial number found: 20232  
Duplicate atom serial number found: 20234  
Duplicate atom serial number found: 20236  
Duplicate atom serial number found: 20238  
Ignored bad PDB record found on line 76011  
ATOM 2023a HWS SOL W4988 -80.870 -69.392 51.891 1.00 0.00 H  
  
Ignored bad PDB record found on line 76012  
ATOM 2023c HWS SOL W4988 -80.362 -70.342 50.827 1.00 0.00 H  
  
Ignored bad PDB record found on line 76013  
ATOM 2023e OWS SOL W4989 -69.643 -58.661 35.134 1.00 0.00 O  
  
Duplicate atom serial number found: 20240  
Duplicate atom serial number found: 20242  
Duplicate atom serial number found: 20244  
Duplicate atom serial number found: 20246  
Duplicate atom serial number found: 20248  
Ignored bad PDB record found on line 76019  
ATOM 2024a OWS SOL W4991 -77.383 -42.482 62.227 1.00 0.00 O  
  
Ignored bad PDB record found on line 76020  
ATOM 2024c HWS SOL W4991 -76.873 -42.023 61.560 1.00 0.00 H  
  
Ignored bad PDB record found on line 76021  
ATOM 2024e HWS SOL W4991 -76.794 -42.543 62.979 1.00 0.00 H  
  
Duplicate atom serial number found: 20250  
Duplicate atom serial number found: 20252  
Duplicate atom serial number found: 20254  
Duplicate atom serial number found: 20256  
Duplicate atom serial number found: 20258  
Ignored bad PDB record found on line 76027  
ATOM 2025a HWS SOL W4993 -66.267 -51.020 34.323 1.00 0.00 H  
  
Ignored bad PDB record found on line 76028  
ATOM 2025c OWS SOL W4994 -83.795 -61.486 38.693 1.00 0.00 O  
  
Ignored bad PDB record found on line 76029  
ATOM 2025e HWS SOL W4994 -83.950 -61.985 39.495 1.00 0.00 H  
  
Duplicate atom serial number found: 20260  
Duplicate atom serial number found: 20262  
Duplicate atom serial number found: 20264  
Duplicate atom serial number found: 20266  
Duplicate atom serial number found: 20268  
Ignored bad PDB record found on line 76035  
ATOM 2026a HWS SOL W4996 -90.183 -34.382 21.373 1.00 0.00 H  
  
Ignored bad PDB record found on line 76036  
ATOM 2026c HWS SOL W4996 -89.197 -33.273 21.670 1.00 0.00 H  
  
Ignored bad PDB record found on line 76037  
ATOM 2026e OWS SOL W4997 -87.138 -76.304 55.204 1.00 0.00 O  
  
Duplicate atom serial number found: 20270  
Duplicate atom serial number found: 20272  
Duplicate atom serial number found: 20274  
Duplicate atom serial number found: 20276  
Duplicate atom serial number found: 20278  
Ignored bad PDB record found on line 76043  
ATOM 2027a OWS SOL W4999 81.862 -56.233 50.258 1.00 0.00 O  
  
Ignored bad PDB record found on line 76044  
ATOM 2027c HWS SOL W4999 82.291 -55.721 50.944 1.00 0.00 H  
  
Ignored bad PDB record found on line 76045  
ATOM 2027e HWS SOL W4999 82.429 -56.994 50.137 1.00 0.00 H  
  
Duplicate atom serial number found: 20280  
Duplicate atom serial number found: 20282  
Duplicate atom serial number found: 20284  
Duplicate atom serial number found: 20286  
Duplicate atom serial number found: 20288  
Ignored bad PDB record found on line 76051  
ATOM 2028a HWS SOL W5001 -81.280 -52.018 39.576 1.00 0.00 H  
  
Ignored bad PDB record found on line 76052  
ATOM 2028c OWS SOL W5002 88.238 -47.247 75.321 1.00 0.00 O  
  
Ignored bad PDB record found on line 76053  
ATOM 2028e HWS SOL W5002 88.913 -46.836 75.861 1.00 0.00 H  
  
Duplicate atom serial number found: 20290  
Duplicate atom serial number found: 20292  
Duplicate atom serial number found: 20294  
Duplicate atom serial number found: 20296  
Duplicate atom serial number found: 20298  
Ignored bad PDB record found on line 76059  
ATOM 2029a HWS SOL W5004 -75.708 -59.361 39.176 1.00 0.00 H  
  
Ignored bad PDB record found on line 76060  
ATOM 2029c HWS SOL W5004 -76.608 -59.251 37.964 1.00 0.00 H  
  
Ignored bad PDB record found on line 76061  
ATOM 2029e OWS SOL W5005 -85.524 -47.767 47.745 1.00 0.00 O  
  
Ignored bad PDB record found on line 76062  
ATOM 202a0 HWS SOL W5005 -84.870 -47.990 48.408 1.00 0.00 H  
  
Ignored bad PDB record found on line 76063  
ATOM 202a2 HWS SOL W5005 -85.242 -48.237 46.961 1.00 0.00 H  
  
46 messages similar to the above omitted  
Duplicate atom serial number found: 20300  
Duplicate atom serial number found: 20302  
Duplicate atom serial number found: 20304  
Duplicate atom serial number found: 20306  
Duplicate atom serial number found: 20308  
Ignored bad PDB record found on line 76115  
ATOM 2030a OWS SOL W5024 -77.081 -76.983 44.120 1.00 0.00 O  
  
Ignored bad PDB record found on line 76116  
ATOM 2030c HWS SOL W5024 -77.793 -76.362 44.272 1.00 0.00 H  
  
Ignored bad PDB record found on line 76117  
ATOM 2030e HWS SOL W5024 -77.141 -77.193 43.188 1.00 0.00 H  
  
Duplicate atom serial number found: 20310  
Duplicate atom serial number found: 20312  
Duplicate atom serial number found: 20314  
Duplicate atom serial number found: 20316  
Duplicate atom serial number found: 20318  
Ignored bad PDB record found on line 76123  
ATOM 2031a HWS SOL W5026 -71.616 -55.962 45.239 1.00 0.00 H  
  
Ignored bad PDB record found on line 76124  
ATOM 2031c OWS SOL W5027 -84.636 -64.206 48.487 1.00 0.00 O  
  
Ignored bad PDB record found on line 76125  
ATOM 2031e HWS SOL W5027 -85.480 -64.063 48.059 1.00 0.00 H  
  
Duplicate atom serial number found: 20320  
Duplicate atom serial number found: 20322  
Duplicate atom serial number found: 20324  
Duplicate atom serial number found: 20326  
Duplicate atom serial number found: 20328  
Ignored bad PDB record found on line 76131  
ATOM 2032a HWS SOL W5029 -68.161 -44.966 37.127 1.00 0.00 H  
  
Ignored bad PDB record found on line 76132  
ATOM 2032c HWS SOL W5029 -68.051 -44.206 35.822 1.00 0.00 H  
  
Ignored bad PDB record found on line 76133  
ATOM 2032e OWS SOL W5030 -73.781 -66.148 47.372 1.00 0.00 O  
  
Duplicate atom serial number found: 20330  
Duplicate atom serial number found: 20332  
Duplicate atom serial number found: 20334  
Duplicate atom serial number found: 20336  
Duplicate atom serial number found: 20338  
Ignored bad PDB record found on line 76139  
ATOM 2033a OWS SOL W5032 -78.598 -79.573 65.410 1.00 0.00 O  
  
Ignored bad PDB record found on line 76140  
ATOM 2033c HWS SOL W5032 -79.527 -79.424 65.587 1.00 0.00 H  
  
Ignored bad PDB record found on line 76141  
ATOM 2033e HWS SOL W5032 -78.504 -80.526 65.410 1.00 0.00 H  
  
Duplicate atom serial number found: 20340  
Duplicate atom serial number found: 20342  
Duplicate atom serial number found: 20344  
Duplicate atom serial number found: 20346  
Duplicate atom serial number found: 20348  
Ignored bad PDB record found on line 76147  
ATOM 2034a HWS SOL W5034 -71.395 -57.810 41.284 1.00 0.00 H  
  
Ignored bad PDB record found on line 76148  
ATOM 2034c OWS SOL W5035 -78.828 -33.937 49.173 1.00 0.00 O  
  
Ignored bad PDB record found on line 76149  
ATOM 2034e HWS SOL W5035 -78.967 -34.586 48.483 1.00 0.00 H  
  
Duplicate atom serial number found: 20350  
Duplicate atom serial number found: 20352  
Duplicate atom serial number found: 20354  
Duplicate atom serial number found: 20356  
Duplicate atom serial number found: 20358  
Ignored bad PDB record found on line 76155  
ATOM 2035a HWS SOL W5037 -77.367 -53.661 46.103 1.00 0.00 H  
  
Ignored bad PDB record found on line 76156  
ATOM 2035c HWS SOL W5037 -77.596 -52.169 46.218 1.00 0.00 H  
  
Ignored bad PDB record found on line 76157  
ATOM 2035e OWS SOL W5038 87.198 -61.262 57.800 1.00 0.00 O  
  
Duplicate atom serial number found: 20360  
Duplicate atom serial number found: 20362  
Duplicate atom serial number found: 20364  
Duplicate atom serial number found: 20366  
Duplicate atom serial number found: 20368  
Ignored bad PDB record found on line 76163  
ATOM 2036a OWS SOL W5040 -63.291 -63.729 76.425 1.00 0.00 O  
  
Ignored bad PDB record found on line 76164  
ATOM 2036c HWS SOL W5040 -63.995 -63.184 76.074 1.00 0.00 H  
  
Ignored bad PDB record found on line 76165  
ATOM 2036e HWS SOL W5040 -62.646 -63.105 76.756 1.00 0.00 H  
  
Duplicate atom serial number found: 20370  
Duplicate atom serial number found: 20372  
Duplicate atom serial number found: 20374  
Duplicate atom serial number found: 20376  
Duplicate atom serial number found: 20378  
Ignored bad PDB record found on line 76171  
ATOM 2037a HWS SOL W5042 89.487 -81.161 54.113 1.00 0.00 H  
  
Ignored bad PDB record found on line 76172  
ATOM 2037c OWS SOL W5043 -76.002 -40.074 48.463 1.00 0.00 O  
  
Ignored bad PDB record found on line 76173  
ATOM 2037e HWS SOL W5043 -75.797 -40.978 48.704 1.00 0.00 H  
  
Duplicate atom serial number found: 20380  
Duplicate atom serial number found: 20382  
Duplicate atom serial number found: 20384  
Duplicate atom serial number found: 20386  
Duplicate atom serial number found: 20388  
Ignored bad PDB record found on line 76179  
ATOM 2038a HWS SOL W5045 -68.331 -48.394 58.938 1.00 0.00 H  
  
Ignored bad PDB record found on line 76180  
ATOM 2038c HWS SOL W5045 -68.554 -47.400 57.819 1.00 0.00 H  
  
Ignored bad PDB record found on line 76181  
ATOM 2038e OWS SOL W5046 -81.500 -71.912 54.760 1.00 0.00 O  
  
Duplicate atom serial number found: 20390  
Duplicate atom serial number found: 20392  
Duplicate atom serial number found: 20394  
Duplicate atom serial number found: 20396  
Duplicate atom serial number found: 20398  
Ignored bad PDB record found on line 76187  
ATOM 2039a OWS SOL W5048 -86.093 -50.186 59.243 1.00 0.00 O  
  
Ignored bad PDB record found on line 76188  
ATOM 2039c HWS SOL W5048 -86.487 -50.287 60.110 1.00 0.00 H  
  
Ignored bad PDB record found on line 76189  
ATOM 2039e HWS SOL W5048 -86.378 -49.321 58.950 1.00 0.00 H  
  
Ignored bad PDB record found on line 76190  
ATOM 203a0 OWS SOL W5049 -77.437 -52.554 40.892 1.00 0.00 O  
  
Ignored bad PDB record found on line 76191  
ATOM 203a2 HWS SOL W5049 -76.965 -52.023 41.533 1.00 0.00 H  
  
46 messages similar to the above omitted  
Duplicate atom serial number found: 20400  
Duplicate atom serial number found: 20402  
Duplicate atom serial number found: 20404  
Duplicate atom serial number found: 20406  
Duplicate atom serial number found: 20408  
Ignored bad PDB record found on line 76243  
ATOM 2040a HWS SOL W5067 -77.401 -61.113 42.742 1.00 0.00 H  
  
Ignored bad PDB record found on line 76244  
ATOM 2040c OWS SOL W5068 -78.750 -31.950 69.312 1.00 0.00 O  
  
Ignored bad PDB record found on line 76245  
ATOM 2040e HWS SOL W5068 -77.868 -31.580 69.345 1.00 0.00 H  
  
Duplicate atom serial number found: 20410  
Duplicate atom serial number found: 20412  
Duplicate atom serial number found: 20414  
Duplicate atom serial number found: 20416  
Duplicate atom serial number found: 20418  
Ignored bad PDB record found on line 76251  
ATOM 2041a HWS SOL W5070 -63.572 -52.914 52.924 1.00 0.00 H  
  
Ignored bad PDB record found on line 76252  
ATOM 2041c HWS SOL W5070 -64.240 -54.238 53.227 1.00 0.00 H  
  
Ignored bad PDB record found on line 76253  
ATOM 2041e OWS SOL W5071 84.318 -67.722 50.633 1.00 0.00 O  
  
Duplicate atom serial number found: 20420  
Duplicate atom serial number found: 20422  
Duplicate atom serial number found: 20424  
Duplicate atom serial number found: 20426  
Duplicate atom serial number found: 20428  
Ignored bad PDB record found on line 76259  
ATOM 2042a OWS SOL W5073 87.220 -85.287 49.787 1.00 0.00 O  
  
Ignored bad PDB record found on line 76260  
ATOM 2042c HWS SOL W5073 86.309 -85.504 49.984 1.00 0.00 H  
  
Ignored bad PDB record found on line 76261  
ATOM 2042e HWS SOL W5073 87.289 -84.350 49.968 1.00 0.00 H  
  
Duplicate atom serial number found: 20430  
Duplicate atom serial number found: 20432  
Duplicate atom serial number found: 20434  
Duplicate atom serial number found: 20436  
Duplicate atom serial number found: 20438  
Ignored bad PDB record found on line 76267  
ATOM 2043a HWS SOL W5075 -75.950 -76.530 49.072 1.00 0.00 H  
  
Ignored bad PDB record found on line 76268  
ATOM 2043c OWS SOL W5076 -63.565 -58.226 56.433 1.00 0.00 O  
  
Ignored bad PDB record found on line 76269  
ATOM 2043e HWS SOL W5076 -63.054 -58.475 55.663 1.00 0.00 H  
  
Duplicate atom serial number found: 20440  
Duplicate atom serial number found: 20442  
Duplicate atom serial number found: 20444  
Duplicate atom serial number found: 20446  
Duplicate atom serial number found: 20448  
Ignored bad PDB record found on line 76275  
ATOM 2044a HWS SOL W5078 -63.704 -71.137 35.096 1.00 0.00 H  
  
Ignored bad PDB record found on line 76276  
ATOM 2044c HWS SOL W5078 -64.077 -72.017 36.270 1.00 0.00 H  
  
Ignored bad PDB record found on line 76277  
ATOM 2044e OWS SOL W5079 -78.120 -64.625 58.973 1.00 0.00 O  
  
Duplicate atom serial number found: 20450  
Duplicate atom serial number found: 20452  
Duplicate atom serial number found: 20454  
Duplicate atom serial number found: 20456  
Duplicate atom serial number found: 20458  
Ignored bad PDB record found on line 76283  
ATOM 2045a OWS SOL W5081 -71.194 -57.419 76.488 1.00 0.00 O  
  
Ignored bad PDB record found on line 76284  
ATOM 2045c HWS SOL W5081 -70.765 -58.261 76.638 1.00 0.00 H  
  
Ignored bad PDB record found on line 76285  
ATOM 2045e HWS SOL W5081 -70.474 -56.793 76.412 1.00 0.00 H  
  
Duplicate atom serial number found: 20460  
Duplicate atom serial number found: 20462  
Duplicate atom serial number found: 20464  
Duplicate atom serial number found: 20466  
Duplicate atom serial number found: 20468  
Ignored bad PDB record found on line 76291  
ATOM 2046a HWS SOL W5083 69.090 -70.569 26.150 1.00 0.00 H  
  
Ignored bad PDB record found on line 76292  
ATOM 2046c OWS SOL W5084 83.026 -55.300 52.708 1.00 0.00 O  
  
Ignored bad PDB record found on line 76293  
ATOM 2046e HWS SOL W5084 83.971 -55.239 52.853 1.00 0.00 H  
  
Duplicate atom serial number found: 20470  
Duplicate atom serial number found: 20472  
Duplicate atom serial number found: 20474  
Duplicate atom serial number found: 20476  
Duplicate atom serial number found: 20478  
Ignored bad PDB record found on line 76299  
ATOM 2047a HWS SOL W5086 -71.349 -75.018 46.059 1.00 0.00 H  
  
Ignored bad PDB record found on line 76300  
ATOM 2047c HWS SOL W5086 -70.060 -75.240 46.822 1.00 0.00 H  
  
Ignored bad PDB record found on line 76301  
ATOM 2047e OWS SOL W5087 86.844 -62.323 67.373 1.00 0.00 O  
  
Duplicate atom serial number found: 20480  
Duplicate atom serial number found: 20482  
Duplicate atom serial number found: 20484  
Duplicate atom serial number found: 20486  
Duplicate atom serial number found: 20488  
Ignored bad PDB record found on line 76307  
ATOM 2048a OWS SOL W5089 81.379 -19.113 42.472 1.00 0.00 O  
  
Ignored bad PDB record found on line 76308  
ATOM 2048c HWS SOL W5089 81.679 -18.277 42.115 1.00 0.00 H  
  
Ignored bad PDB record found on line 76309  
ATOM 2048e HWS SOL W5089 81.063 -18.898 43.350 1.00 0.00 H  
  
Duplicate atom serial number found: 20490  
Duplicate atom serial number found: 20492  
Duplicate atom serial number found: 20494  
Duplicate atom serial number found: 20496  
Duplicate atom serial number found: 20498  
Ignored bad PDB record found on line 76315  
ATOM 2049a HWS SOL W5091 -67.495 -72.114 47.384 1.00 0.00 H  
  
Ignored bad PDB record found on line 76316  
ATOM 2049c OWS SOL W5092 -81.425 -57.008 41.987 1.00 0.00 O  
  
Ignored bad PDB record found on line 76317  
ATOM 2049e HWS SOL W5092 -80.893 -57.463 42.641 1.00 0.00 H  
  
Ignored bad PDB record found on line 76318  
ATOM 204a0 HWS SOL W5092 -81.052 -57.275 41.147 1.00 0.00 H  
  
Ignored bad PDB record found on line 76319  
ATOM 204a2 OWS SOL W5093 75.654 -55.540 41.916 1.00 0.00 O  
  
46 messages similar to the above omitted  
Duplicate atom serial number found: 20500  
Duplicate atom serial number found: 20502  
Duplicate atom serial number found: 20504  
Duplicate atom serial number found: 20506  
Duplicate atom serial number found: 20508  
Ignored bad PDB record found on line 76371  
ATOM 2050a HWS SOL W5110 85.055 -54.326 77.644 1.00 0.00 H  
  
Ignored bad PDB record found on line 76372  
ATOM 2050c HWS SOL W5110 86.404 -54.145 76.981 1.00 0.00 H  
  
Ignored bad PDB record found on line 76373  
ATOM 2050e OWS SOL W5111 -70.473 -62.173 81.591 1.00 0.00 O  
  
Duplicate atom serial number found: 20510  
Duplicate atom serial number found: 20512  
Duplicate atom serial number found: 20514  
Duplicate atom serial number found: 20516  
Duplicate atom serial number found: 20518  
Ignored bad PDB record found on line 76379  
ATOM 2051a OWS SOL W5113 -63.340 -36.323 60.429 1.00 0.00 O  
  
Ignored bad PDB record found on line 76380  
ATOM 2051c HWS SOL W5113 -63.101 -36.904 61.150 1.00 0.00 H  
  
Ignored bad PDB record found on line 76381  
ATOM 2051e HWS SOL W5113 -64.278 -36.171 60.544 1.00 0.00 H  
  
Duplicate atom serial number found: 20520  
Duplicate atom serial number found: 20522  
Duplicate atom serial number found: 20524  
Duplicate atom serial number found: 20526  
Duplicate atom serial number found: 20528  
Ignored bad PDB record found on line 76387  
ATOM 2052a HWS SOL W5115 -84.180 -83.363 54.357 1.00 0.00 H  
  
Ignored bad PDB record found on line 76388  
ATOM 2052c OWS SOL W5116 -51.236 -45.189 44.726 1.00 0.00 O  
  
Ignored bad PDB record found on line 76389  
ATOM 2052e HWS SOL W5116 -50.860 -46.068 44.771 1.00 0.00 H  
  
Duplicate atom serial number found: 20530  
Duplicate atom serial number found: 20532  
Duplicate atom serial number found: 20534  
Duplicate atom serial number found: 20536  
Duplicate atom serial number found: 20538  
Ignored bad PDB record found on line 76395  
ATOM 2053a HWS SOL W5118 -73.888 -67.379 54.247 1.00 0.00 H  
  
Ignored bad PDB record found on line 76396  
ATOM 2053c HWS SOL W5118 -74.639 -66.107 54.577 1.00 0.00 H  
  
Ignored bad PDB record found on line 76397  
ATOM 2053e OWS SOL W5119 -60.836 -52.920 35.422 1.00 0.00 O  
  
Duplicate atom serial number found: 20540  
Duplicate atom serial number found: 20542  
Duplicate atom serial number found: 20544  
Duplicate atom serial number found: 20546  
Duplicate atom serial number found: 20548  
Ignored bad PDB record found on line 76403  
ATOM 2054a OWS SOL W5121 -60.087 -64.574 73.167 1.00 0.00 O  
  
Ignored bad PDB record found on line 76404  
ATOM 2054c HWS SOL W5121 -59.690 -65.324 73.609 1.00 0.00 H  
  
Ignored bad PDB record found on line 76405  
ATOM 2054e HWS SOL W5121 -60.986 -64.550 73.496 1.00 0.00 H  
  
Duplicate atom serial number found: 20550  
Duplicate atom serial number found: 20552  
Duplicate atom serial number found: 20554  
Duplicate atom serial number found: 20556  
Duplicate atom serial number found: 20558  
Ignored bad PDB record found on line 76411  
ATOM 2055a HWS SOL W5123 -71.312 -56.973 49.676 1.00 0.00 H  
  
Ignored bad PDB record found on line 76412  
ATOM 2055c OWS SOL W5124 -89.102 -76.377 45.210 1.00 0.00 O  
  
Ignored bad PDB record found on line 76413  
ATOM 2055e HWS SOL W5124 -88.864 -75.452 45.271 1.00 0.00 H  
  
Duplicate atom serial number found: 20560  
Duplicate atom serial number found: 20562  
Duplicate atom serial number found: 20564  
Duplicate atom serial number found: 20566  
Duplicate atom serial number found: 20568  
Ignored bad PDB record found on line 76419  
ATOM 2056a HWS SOL W5126 -83.367 -48.067 38.095 1.00 0.00 H  
  
Ignored bad PDB record found on line 76420  
ATOM 2056c HWS SOL W5126 -82.578 -47.724 39.341 1.00 0.00 H  
  
Ignored bad PDB record found on line 76421  
ATOM 2056e OWS SOL W5127 -82.459 -71.094 60.727 1.00 0.00 O  
  
Duplicate atom serial number found: 20570  
Duplicate atom serial number found: 20572  
Duplicate atom serial number found: 20574  
Duplicate atom serial number found: 20576  
Duplicate atom serial number found: 20578  
Ignored bad PDB record found on line 76427  
ATOM 2057a OWS SOL W5129 -65.802 -73.103 53.042 1.00 0.00 O  
  
Ignored bad PDB record found on line 76428  
ATOM 2057c HWS SOL W5129 -66.012 -72.488 52.340 1.00 0.00 H  
  
Ignored bad PDB record found on line 76429  
ATOM 2057e HWS SOL W5129 -66.241 -72.744 53.814 1.00 0.00 H  
  
Duplicate atom serial number found: 20580  
Duplicate atom serial number found: 20582  
Duplicate atom serial number found: 20584  
Duplicate atom serial number found: 20586  
Duplicate atom serial number found: 20588  
Ignored bad PDB record found on line 76435  
ATOM 2058a HWS SOL W5131 -77.584 -66.224 56.960 1.00 0.00 H  
  
Ignored bad PDB record found on line 76436  
ATOM 2058c OWS SOL W5132 -65.329 -54.077 69.497 1.00 0.00 O  
  
Ignored bad PDB record found on line 76437  
ATOM 2058e HWS SOL W5132 -64.604 -53.540 69.176 1.00 0.00 H  
  
Duplicate atom serial number found: 20590  
Duplicate atom serial number found: 20592  
Duplicate atom serial number found: 20594  
Duplicate atom serial number found: 20596  
Duplicate atom serial number found: 20598  
Ignored bad PDB record found on line 76443  
ATOM 2059a HWS SOL W5134 -82.156 -48.097 48.045 1.00 0.00 H  
  
Ignored bad PDB record found on line 76444  
ATOM 2059c HWS SOL W5134 -82.017 -48.100 49.552 1.00 0.00 H  
  
Ignored bad PDB record found on line 76445  
ATOM 2059e OWS SOL W5135 -82.861 -77.003 60.506 1.00 0.00 O  
  
Ignored bad PDB record found on line 76446  
ATOM 205a0 HWS SOL W5135 -83.167 -76.372 59.854 1.00 0.00 H  
  
Ignored bad PDB record found on line 76447  
ATOM 205a2 HWS SOL W5135 -83.562 -77.036 61.156 1.00 0.00 H  
  
46 messages similar to the above omitted  
Duplicate atom serial number found: 20600  
Duplicate atom serial number found: 20602  
Duplicate atom serial number found: 20604  
Duplicate atom serial number found: 20606  
Duplicate atom serial number found: 20608  
Ignored bad PDB record found on line 76499  
ATOM 2060a OWS SOL W5153 73.622 -43.994 62.972 1.00 0.00 O  
  
Ignored bad PDB record found on line 76500  
ATOM 2060c HWS SOL W5153 73.216 -43.404 62.336 1.00 0.00 H  
  
Ignored bad PDB record found on line 76501  
ATOM 2060e HWS SOL W5153 74.560 -43.932 62.792 1.00 0.00 H  
  
Duplicate atom serial number found: 20610  
Duplicate atom serial number found: 20612  
Duplicate atom serial number found: 20614  
Duplicate atom serial number found: 20616  
Duplicate atom serial number found: 20618  
Ignored bad PDB record found on line 76507  
ATOM 2061a HWS SOL W5155 -85.665 -78.256 37.000 1.00 0.00 H  
  
Ignored bad PDB record found on line 76508  
ATOM 2061c OWS SOL W5156 -89.398 -62.492 52.843 1.00 0.00 O  
  
Ignored bad PDB record found on line 76509  
ATOM 2061e HWS SOL W5156 -88.840 -63.202 53.160 1.00 0.00 H  
  
Duplicate atom serial number found: 20620  
Duplicate atom serial number found: 20622  
Duplicate atom serial number found: 20624  
Duplicate atom serial number found: 20626  
Duplicate atom serial number found: 20628  
Ignored bad PDB record found on line 76515  
ATOM 2062a HWS SOL W5158 -75.297 -60.384 61.712 1.00 0.00 H  
  
Ignored bad PDB record found on line 76516  
ATOM 2062c HWS SOL W5158 -76.500 -60.610 60.820 1.00 0.00 H  
  
Ignored bad PDB record found on line 76517  
ATOM 2062e OWS SOL W5159 -68.984 -58.827 77.757 1.00 0.00 O  
  
Duplicate atom serial number found: 20630  
Duplicate atom serial number found: 20632  
Duplicate atom serial number found: 20634  
Duplicate atom serial number found: 20636  
Duplicate atom serial number found: 20638  
Ignored bad PDB record found on line 76523  
ATOM 2063a OWS SOL W5161 -83.536 -68.652 63.423 1.00 0.00 O  
  
Ignored bad PDB record found on line 76524  
ATOM 2063c HWS SOL W5161 -83.200 -68.380 62.569 1.00 0.00 H  
  
Ignored bad PDB record found on line 76525  
ATOM 2063e HWS SOL W5161 -83.460 -69.606 63.418 1.00 0.00 H  
  
Duplicate atom serial number found: 20640  
Duplicate atom serial number found: 20642  
Duplicate atom serial number found: 20644  
Duplicate atom serial number found: 20646  
Duplicate atom serial number found: 20648  
Ignored bad PDB record found on line 76531  
ATOM 2064a HWS SOL W5163 -73.732 -56.052 62.378 1.00 0.00 H  
  
Ignored bad PDB record found on line 76532  
ATOM 2064c OWS SOL W5164 -70.676 -69.018 65.764 1.00 0.00 O  
  
Ignored bad PDB record found on line 76533  
ATOM 2064e HWS SOL W5164 -71.010 -69.133 64.874 1.00 0.00 H  
  
Duplicate atom serial number found: 20650  
Duplicate atom serial number found: 20652  
Duplicate atom serial number found: 20654  
Duplicate atom serial number found: 20656  
Duplicate atom serial number found: 20658  
Ignored bad PDB record found on line 76539  
ATOM 2065a HWS SOL W5166 -75.191 -43.811 53.948 1.00 0.00 H  
  
Ignored bad PDB record found on line 76540  
ATOM 2065c HWS SOL W5166 -76.657 -44.185 54.011 1.00 0.00 H  
  
Ignored bad PDB record found on line 76541  
ATOM 2065e OWS SOL W5167 -78.434 -67.398 63.852 1.00 0.00 O  
  
Duplicate atom serial number found: 20660  
Duplicate atom serial number found: 20662  
Duplicate atom serial number found: 20664  
Duplicate atom serial number found: 20666  
Duplicate atom serial number found: 20668  
Ignored bad PDB record found on line 76547  
ATOM 2066a OWS SOL W5169 84.671 -64.972 54.262 1.00 0.00 O  
  
Ignored bad PDB record found on line 76548  
ATOM 2066c HWS SOL W5169 85.352 -65.615 54.459 1.00 0.00 H  
  
Ignored bad PDB record found on line 76549  
ATOM 2066e HWS SOL W5169 84.882 -64.221 54.817 1.00 0.00 H  
  
Duplicate atom serial number found: 20670  
Duplicate atom serial number found: 20672  
Duplicate atom serial number found: 20674  
Duplicate atom serial number found: 20676  
Duplicate atom serial number found: 20678  
Ignored bad PDB record found on line 76555  
ATOM 2067a HWS SOL W5171 -87.261 -75.831 50.187 1.00 0.00 H  
  
Ignored bad PDB record found on line 76556  
ATOM 2067c OWS SOL W5172 -79.841 -74.710 58.684 1.00 0.00 O  
  
Ignored bad PDB record found on line 76557  
ATOM 2067e HWS SOL W5172 -80.106 -75.431 58.113 1.00 0.00 H  
  
Duplicate atom serial number found: 20680  
Duplicate atom serial number found: 20682  
Duplicate atom serial number found: 20684  
Duplicate atom serial number found: 20686  
Duplicate atom serial number found: 20688  
Ignored bad PDB record found on line 76563  
ATOM 2068a HWS SOL W5174 -79.343 -26.807 69.116 1.00 0.00 H  
  
Ignored bad PDB record found on line 76564  
ATOM 2068c HWS SOL W5174 -80.223 -25.781 69.797 1.00 0.00 H  
  
Ignored bad PDB record found on line 76565  
ATOM 2068e OWS SOL W5175 -83.519 -61.098 68.903 1.00 0.00 O  
  
Duplicate atom serial number found: 20690  
Duplicate atom serial number found: 20692  
Duplicate atom serial number found: 20694  
Duplicate atom serial number found: 20696  
Duplicate atom serial number found: 20698  
Ignored bad PDB record found on line 76571  
ATOM 2069a OWS SOL W5177 86.379 -52.316 84.022 1.00 0.00 O  
  
Ignored bad PDB record found on line 76572  
ATOM 2069c HWS SOL W5177 87.049 -51.764 83.618 1.00 0.00 H  
  
Ignored bad PDB record found on line 76573  
ATOM 2069e HWS SOL W5177 86.380 -53.117 83.498 1.00 0.00 H  
  
Ignored bad PDB record found on line 76574  
ATOM 206a0 OWS SOL W5178 84.123 -49.092 35.271 1.00 0.00 O  
  
Ignored bad PDB record found on line 76575  
ATOM 206a2 HWS SOL W5178 83.182 -48.996 35.127 1.00 0.00 H  
  
46 messages similar to the above omitted  
Duplicate atom serial number found: 20700  
Duplicate atom serial number found: 20702  
Duplicate atom serial number found: 20704  
Duplicate atom serial number found: 20706  
Duplicate atom serial number found: 20708  
Ignored bad PDB record found on line 76627  
ATOM 2070a HWS SOL W5195 -89.315 -75.785 59.239 1.00 0.00 H  
  
Ignored bad PDB record found on line 76628  
ATOM 2070c OWS SOL W5196 -85.021 -66.405 63.965 1.00 0.00 O  
  
Ignored bad PDB record found on line 76629  
ATOM 2070e HWS SOL W5196 -85.827 -66.687 63.533 1.00 0.00 H  
  
Duplicate atom serial number found: 20710  
Duplicate atom serial number found: 20712  
Duplicate atom serial number found: 20714  
Duplicate atom serial number found: 20716  
Duplicate atom serial number found: 20718  
Ignored bad PDB record found on line 76635  
ATOM 2071a HWS SOL W5198 -78.487 -48.505 41.955 1.00 0.00 H  
  
Ignored bad PDB record found on line 76636  
ATOM 2071c HWS SOL W5198 -77.473 -48.275 43.055 1.00 0.00 H  
  
Ignored bad PDB record found on line 76637  
ATOM 2071e OWS SOL W5199 -86.374 -66.772 42.484 1.00 0.00 O  
  
Duplicate atom serial number found: 20720  
Duplicate atom serial number found: 20722  
Duplicate atom serial number found: 20724  
Duplicate atom serial number found: 20726  
Duplicate atom serial number found: 20728  
Ignored bad PDB record found on line 76643  
ATOM 2072a OWS SOL W5201 -50.886 -77.435 65.908 1.00 0.00 O  
  
Ignored bad PDB record found on line 76644  
ATOM 2072c HWS SOL W5201 -50.977 -76.801 65.196 1.00 0.00 H  
  
Ignored bad PDB record found on line 76645  
ATOM 2072e HWS SOL W5201 -50.960 -76.913 66.706 1.00 0.00 H  
  
Duplicate atom serial number found: 20730  
Duplicate atom serial number found: 20732  
Duplicate atom serial number found: 20734  
Duplicate atom serial number found: 20736  
Duplicate atom serial number found: 20738  
Ignored bad PDB record found on line 76651  
ATOM 2073a HWS SOL W5203 -89.612 -51.663 63.590 1.00 0.00 H  
  
Ignored bad PDB record found on line 76652  
ATOM 2073c OWS SOL W5204 87.952 -47.793 60.202 1.00 0.00 O  
  
Ignored bad PDB record found on line 76653  
ATOM 2073e HWS SOL W5204 87.847 -47.207 59.452 1.00 0.00 H  
  
Duplicate atom serial number found: 20740  
Duplicate atom serial number found: 20742  
Duplicate atom serial number found: 20744  
Duplicate atom serial number found: 20746  
Duplicate atom serial number found: 20748  
Ignored bad PDB record found on line 76659  
ATOM 2074a HWS SOL W5206 86.291 -54.299 68.909 1.00 0.00 H  
  
Ignored bad PDB record found on line 76660  
ATOM 2074c HWS SOL W5206 85.451 -53.742 70.039 1.00 0.00 H  
  
Ignored bad PDB record found on line 76661  
ATOM 2074e OWS SOL W5207 -62.778 -36.240 33.373 1.00 0.00 O  
  
Duplicate atom serial number found: 20750  
Duplicate atom serial number found: 20752  
Duplicate atom serial number found: 20754  
Duplicate atom serial number found: 20756  
Duplicate atom serial number found: 20758  
Ignored bad PDB record found on line 76667  
ATOM 2075a OWS SOL W5209 -86.613 -42.155 47.621 1.00 0.00 O  
  
Ignored bad PDB record found on line 76668  
ATOM 2075c HWS SOL W5209 -87.336 -42.117 46.995 1.00 0.00 H  
  
Ignored bad PDB record found on line 76669  
ATOM 2075e HWS SOL W5209 -86.293 -43.056 47.563 1.00 0.00 H  
  
Duplicate atom serial number found: 20760  
Duplicate atom serial number found: 20762  
Duplicate atom serial number found: 20764  
Duplicate atom serial number found: 20766  
Duplicate atom serial number found: 20768  
Ignored bad PDB record found on line 76675  
ATOM 2076a HWS SOL W5211 76.102 -49.370 55.778 1.00 0.00 H  
  
Ignored bad PDB record found on line 76676  
ATOM 2076c OWS SOL W5212 89.848 -55.496 67.721 1.00 0.00 O  
  
Ignored bad PDB record found on line 76677  
ATOM 2076e HWS SOL W5212 89.063 -55.992 67.950 1.00 0.00 H  
  
Duplicate atom serial number found: 20770  
Duplicate atom serial number found: 20772  
Duplicate atom serial number found: 20774  
Duplicate atom serial number found: 20776  
Duplicate atom serial number found: 20778  
Ignored bad PDB record found on line 76683  
ATOM 2077a HWS SOL W5214 -89.453 -65.398 55.026 1.00 0.00 H  
  
Ignored bad PDB record found on line 76684  
ATOM 2077c HWS SOL W5214 -90.565 -66.395 54.779 1.00 0.00 H  
  
Ignored bad PDB record found on line 76685  
ATOM 2077e OWS SOL W5215 -83.978 -63.341 60.055 1.00 0.00 O  
  
Duplicate atom serial number found: 20780  
Duplicate atom serial number found: 20782  
Duplicate atom serial number found: 20784  
Duplicate atom serial number found: 20786  
Duplicate atom serial number found: 20788  
Ignored bad PDB record found on line 76691  
ATOM 2078a OWS SOL W5217 -68.105 -78.589 48.056 1.00 0.00 O  
  
Ignored bad PDB record found on line 76692  
ATOM 2078c HWS SOL W5217 -68.984 -78.564 48.434 1.00 0.00 H  
  
Ignored bad PDB record found on line 76693  
ATOM 2078e HWS SOL W5217 -67.799 -79.481 48.218 1.00 0.00 H  
  
Duplicate atom serial number found: 20790  
Duplicate atom serial number found: 20792  
Duplicate atom serial number found: 20794  
Duplicate atom serial number found: 20796  
Duplicate atom serial number found: 20798  
Ignored bad PDB record found on line 76699  
ATOM 2079a HWS SOL W5219 -71.151 -56.336 63.713 1.00 0.00 H  
  
Ignored bad PDB record found on line 76700  
ATOM 2079c OWS SOL W5220 -87.192 -79.271 44.419 1.00 0.00 O  
  
Ignored bad PDB record found on line 76701  
ATOM 2079e HWS SOL W5220 -86.355 -78.811 44.483 1.00 0.00 H  
  
Ignored bad PDB record found on line 76702  
ATOM 207a0 HWS SOL W5220 -87.551 -79.241 45.306 1.00 0.00 H  
  
Ignored bad PDB record found on line 76703  
ATOM 207a2 OWS SOL W5221 89.027 -53.137 62.006 1.00 0.00 O  
  
46 messages similar to the above omitted  
Duplicate atom serial number found: 20800  
Duplicate atom serial number found: 20802  
Duplicate atom serial number found: 20804  
Duplicate atom serial number found: 20806  
Duplicate atom serial number found: 20808  
Ignored bad PDB record found on line 76755  
ATOM 2080a HWS SOL W5238 -86.529 -45.699 70.396 1.00 0.00 H  
  
Ignored bad PDB record found on line 76756  
ATOM 2080c HWS SOL W5238 -85.766 -45.397 69.124 1.00 0.00 H  
  
Ignored bad PDB record found on line 76757  
ATOM 2080e OWS SOL W5239 -66.410 -58.240 74.939 1.00 0.00 O  
  
Duplicate atom serial number found: 20810  
Duplicate atom serial number found: 20812  
Duplicate atom serial number found: 20814  
Duplicate atom serial number found: 20816  
Duplicate atom serial number found: 20818  
Ignored bad PDB record found on line 76763  
ATOM 2081a OWS SOL W5241 -77.711 -53.682 69.824 1.00 0.00 O  
  
Ignored bad PDB record found on line 76764  
ATOM 2081c HWS SOL W5241 -78.447 -53.887 69.248 1.00 0.00 H  
  
Ignored bad PDB record found on line 76765  
ATOM 2081e HWS SOL W5241 -77.052 -53.300 69.244 1.00 0.00 H  
  
Duplicate atom serial number found: 20820  
Duplicate atom serial number found: 20822  
Duplicate atom serial number found: 20824  
Duplicate atom serial number found: 20826  
Duplicate atom serial number found: 20828  
Ignored bad PDB record found on line 76771  
ATOM 2082a HWS SOL W5243 74.353 -54.040 58.621 1.00 0.00 H  
  
Ignored bad PDB record found on line 76772  
ATOM 2082c OWS SOL W5244 -74.715 -56.413 34.957 1.00 0.00 O  
  
Ignored bad PDB record found on line 76773  
ATOM 2082e HWS SOL W5244 -75.062 -55.618 34.552 1.00 0.00 H  
  
Duplicate atom serial number found: 20830  
Duplicate atom serial number found: 20832  
Duplicate atom serial number found: 20834  
Duplicate atom serial number found: 20836  
Duplicate atom serial number found: 20838  
Ignored bad PDB record found on line 76779  
ATOM 2083a HWS SOL W5246 -74.441 -37.844 72.225 1.00 0.00 H  
  
Ignored bad PDB record found on line 76780  
ATOM 2083c HWS SOL W5246 -74.211 -37.440 73.666 1.00 0.00 H  
  
Ignored bad PDB record found on line 76781  
ATOM 2083e OWS SOL W5247 87.249 -31.733 40.133 1.00 0.00 O  
  
Duplicate atom serial number found: 20840  
Duplicate atom serial number found: 20842  
Duplicate atom serial number found: 20844  
Duplicate atom serial number found: 20846  
Duplicate atom serial number found: 20848  
Ignored bad PDB record found on line 76787  
ATOM 2084a OWS SOL W5249 -87.528 -64.335 44.713 1.00 0.00 O  
  
Ignored bad PDB record found on line 76788  
ATOM 2084c HWS SOL W5249 -86.642 -64.066 44.469 1.00 0.00 H  
  
Ignored bad PDB record found on line 76789  
ATOM 2084e HWS SOL W5249 -88.064 -64.113 43.952 1.00 0.00 H  
  
Duplicate atom serial number found: 20850  
Duplicate atom serial number found: 20852  
Duplicate atom serial number found: 20854  
Duplicate atom serial number found: 20856  
Duplicate atom serial number found: 20858  
Ignored bad PDB record found on line 76795  
ATOM 2085a HWS SOL W5251 -83.724 -69.678 66.331 1.00 0.00 H  
  
Ignored bad PDB record found on line 76796  
ATOM 2085c OWS SOL W5252 -55.689 -55.664 73.284 1.00 0.00 O  
  
Ignored bad PDB record found on line 76797  
ATOM 2085e HWS SOL W5252 -55.829 -54.945 72.668 1.00 0.00 H  
  
Duplicate atom serial number found: 20860  
Duplicate atom serial number found: 20862  
Duplicate atom serial number found: 20864  
Duplicate atom serial number found: 20866  
Duplicate atom serial number found: 20868  
Ignored bad PDB record found on line 76803  
ATOM 2086a HWS SOL W5254 86.166 -37.167 57.627 1.00 0.00 H  
  
Ignored bad PDB record found on line 76804  
ATOM 2086c HWS SOL W5254 87.523 -37.052 56.966 1.00 0.00 H  
  
Ignored bad PDB record found on line 76805  
ATOM 2086e OWS SOL W5255 -67.151 -50.803 60.090 1.00 0.00 O  
  
Duplicate atom serial number found: 20870  
Duplicate atom serial number found: 20872  
Duplicate atom serial number found: 20874  
Duplicate atom serial number found: 20876  
Duplicate atom serial number found: 20878  
Ignored bad PDB record found on line 76811  
ATOM 2087a OWS SOL W5257 74.148 -26.596 62.979 1.00 0.00 O  
  
Ignored bad PDB record found on line 76812  
ATOM 2087c HWS SOL W5257 74.559 -25.738 62.876 1.00 0.00 H  
  
Ignored bad PDB record found on line 76813  
ATOM 2087e HWS SOL W5257 73.902 -26.634 63.903 1.00 0.00 H  
  
Duplicate atom serial number found: 20880  
Duplicate atom serial number found: 20882  
Duplicate atom serial number found: 20884  
Duplicate atom serial number found: 20886  
Duplicate atom serial number found: 20888  
Ignored bad PDB record found on line 76819  
ATOM 2088a HWS SOL W5259 -89.068 -67.565 50.349 1.00 0.00 H  
  
Ignored bad PDB record found on line 76820  
ATOM 2088c OWS SOL W5260 81.575 -56.490 41.927 1.00 0.00 O  
  
Ignored bad PDB record found on line 76821  
ATOM 2088e HWS SOL W5260 82.353 -56.220 41.439 1.00 0.00 H  
  
Duplicate atom serial number found: 20890  
Duplicate atom serial number found: 20892  
Duplicate atom serial number found: 20894  
Duplicate atom serial number found: 20896  
Duplicate atom serial number found: 20898  
Ignored bad PDB record found on line 76827  
ATOM 2089a HWS SOL W5262 -79.330 -68.442 45.314 1.00 0.00 H  
  
Ignored bad PDB record found on line 76828  
ATOM 2089c HWS SOL W5262 -78.599 -68.733 46.607 1.00 0.00 H  
  
Ignored bad PDB record found on line 76829  
ATOM 2089e OWS SOL W5263 90.084 -55.267 77.187 1.00 0.00 O  
  
Ignored bad PDB record found on line 76830  
ATOM 208a0 HWS SOL W5263 89.833 -55.849 76.469 1.00 0.00 H  
  
Ignored bad PDB record found on line 76831  
ATOM 208a2 HWS SOL W5263 90.045 -55.819 77.968 1.00 0.00 H  
  
46 messages similar to the above omitted  
Duplicate atom serial number found: 20900  
Duplicate atom serial number found: 20902  
Duplicate atom serial number found: 20904  
Duplicate atom serial number found: 20906  
Duplicate atom serial number found: 20908  
Ignored bad PDB record found on line 76883  
ATOM 2090a OWS SOL W5281 79.994 -50.475 48.277 1.00 0.00 O  
  
Ignored bad PDB record found on line 76884  
ATOM 2090c HWS SOL W5281 80.586 -50.917 47.668 1.00 0.00 H  
  
Ignored bad PDB record found on line 76885  
ATOM 2090e HWS SOL W5281 79.910 -49.588 47.928 1.00 0.00 H  
  
Duplicate atom serial number found: 20910  
Duplicate atom serial number found: 20912  
Duplicate atom serial number found: 20914  
Duplicate atom serial number found: 20916  
Duplicate atom serial number found: 20918  
Ignored bad PDB record found on line 76891  
ATOM 2091a HWS SOL W5284 -85.030 -57.113 58.029 1.00 0.00 H  
  
Ignored bad PDB record found on line 76892  
ATOM 2091c OWS SOL W5285 88.355 -52.988 77.826 1.00 0.00 O  
  
Ignored bad PDB record found on line 76893  
ATOM 2091e HWS SOL W5285 89.051 -53.599 77.582 1.00 0.00 H  
  
Duplicate atom serial number found: 20920  
Duplicate atom serial number found: 20922  
Duplicate atom serial number found: 20924  
Duplicate atom serial number found: 20926  
Duplicate atom serial number found: 20928  
Ignored bad PDB record found on line 76899  
ATOM 2092a HWS SOL W5287 -76.043 -52.972 67.201 1.00 0.00 H  
  
Ignored bad PDB record found on line 76900  
ATOM 2092c HWS SOL W5287 -77.011 -51.912 67.683 1.00 0.00 H  
  
Ignored bad PDB record found on line 76901  
ATOM 2092e OWS SOL W5288 -87.136 -54.700 58.082 1.00 0.00 O  
  
Duplicate atom serial number found: 20930  
Duplicate atom serial number found: 20932  
Duplicate atom serial number found: 20934  
Duplicate atom serial number found: 20936  
Duplicate atom serial number found: 20938  
Ignored bad PDB record found on line 76907  
ATOM 2093a OWS SOL W5290 -76.411 -45.913 45.902 1.00 0.00 O  
  
Ignored bad PDB record found on line 76908  
ATOM 2093c HWS SOL W5290 -76.381 -45.050 46.315 1.00 0.00 H  
  
Ignored bad PDB record found on line 76909  
ATOM 2093e HWS SOL W5290 -75.493 -46.168 45.810 1.00 0.00 H  
  
Duplicate atom serial number found: 20940  
Duplicate atom serial number found: 20942  
Duplicate atom serial number found: 20944  
Duplicate atom serial number found: 20946  
Duplicate atom serial number found: 20948  
Ignored bad PDB record found on line 76915  
ATOM 2094a HWS SOL W5292 -79.035 -80.727 72.843 1.00 0.00 H  
  
Ignored bad PDB record found on line 76916  
ATOM 2094c OWS SOL W5293 -72.432 -73.360 66.057 1.00 0.00 O  
  
Ignored bad PDB record found on line 76917  
ATOM 2094e HWS SOL W5293 -71.689 -72.949 66.498 1.00 0.00 H  
  
Duplicate atom serial number found: 20950  
Duplicate atom serial number found: 20952  
Duplicate atom serial number found: 20954  
Duplicate atom serial number found: 20956  
Duplicate atom serial number found: 20958  
Ignored bad PDB record found on line 76923  
ATOM 2095a HWS SOL W5295 -77.425 -64.979 47.672 1.00 0.00 H  
  
Ignored bad PDB record found on line 76924  
ATOM 2095c HWS SOL W5295 -76.399 -65.407 48.699 1.00 0.00 H  
  
Ignored bad PDB record found on line 76925  
ATOM 2095e OWS SOL W5296 -70.923 -74.027 54.979 1.00 0.00 O  
  
Duplicate atom serial number found: 20960  
Duplicate atom serial number found: 20962  
Duplicate atom serial number found: 20964  
Duplicate atom serial number found: 20966  
Duplicate atom serial number found: 20968  
Ignored bad PDB record found on line 76931  
ATOM 2096a OWS SOL W5298 -74.031 -65.744 79.429 1.00 0.00 O  
  
Ignored bad PDB record found on line 76932  
ATOM 2096c HWS SOL W5298 -74.724 -65.242 79.001 1.00 0.00 H  
  
Ignored bad PDB record found on line 76933  
ATOM 2096e HWS SOL W5298 -74.193 -66.650 79.164 1.00 0.00 H  
  
Duplicate atom serial number found: 20970  
Duplicate atom serial number found: 20972  
Duplicate atom serial number found: 20974  
Duplicate atom serial number found: 20976  
Duplicate atom serial number found: 20978  
Ignored bad PDB record found on line 76939  
ATOM 2097a HWS SOL W5300 -69.008 -60.483 53.421 1.00 0.00 H  
  
Ignored bad PDB record found on line 76940  
ATOM 2097c OWS SOL W5301 -78.487 -56.923 87.273 1.00 0.00 O  
  
Ignored bad PDB record found on line 76941  
ATOM 2097e HWS SOL W5301 -77.906 -56.196 87.497 1.00 0.00 H  
  
Duplicate atom serial number found: 20980  
Duplicate atom serial number found: 20982  
Duplicate atom serial number found: 20984  
Duplicate atom serial number found: 20986  
Duplicate atom serial number found: 20988  
Ignored bad PDB record found on line 76947  
ATOM 2098a HWS SOL W5303 -76.535 -68.498 46.133 1.00 0.00 H  
  
Ignored bad PDB record found on line 76948  
ATOM 2098c HWS SOL W5303 -75.053 -68.810 46.130 1.00 0.00 H  
  
Ignored bad PDB record found on line 76949  
ATOM 2098e OWS SOL W5304 -83.129 -71.204 36.706 1.00 0.00 O  
  
Duplicate atom serial number found: 20990  
Duplicate atom serial number found: 20992  
Duplicate atom serial number found: 20994  
Duplicate atom serial number found: 20996  
Duplicate atom serial number found: 20998  
Ignored bad PDB record found on line 76955  
ATOM 2099a OWS SOL W5306 -82.583 -56.321 50.012 1.00 0.00 O  
  
Ignored bad PDB record found on line 76956  
ATOM 2099c HWS SOL W5306 -82.581 -56.931 49.274 1.00 0.00 H  
  
Ignored bad PDB record found on line 76957  
ATOM 2099e HWS SOL W5306 -83.010 -55.535 49.672 1.00 0.00 H  
  
Ignored bad PDB record found on line 76958  
ATOM 209a0 OWS SOL W5307 -87.456 -65.103 52.086 1.00 0.00 O  
  
Ignored bad PDB record found on line 76959  
ATOM 209a2 HWS SOL W5307 -87.310 -66.034 52.254 1.00 0.00 H  
  
814 messages similar to the above omitted  
Duplicate atom serial number found: 21000  
Duplicate atom serial number found: 21002  
Duplicate atom serial number found: 21004  
Duplicate atom serial number found: 21006  
Duplicate atom serial number found: 21008  
Ignored bad PDB record found on line 77779  
ATOM 2100a HWS SOL W5582 -70.530 -86.136 64.079 1.00 0.00 H  
  
Ignored bad PDB record found on line 77780  
ATOM 2100c OWS SOL W5583 -74.483 -55.103 57.440 1.00 0.00 O  
  
Ignored bad PDB record found on line 77781  
ATOM 2100e HWS SOL W5583 -74.855 -55.950 57.685 1.00 0.00 H  
  
Duplicate atom serial number found: 21010  
Duplicate atom serial number found: 21012  
Duplicate atom serial number found: 21014  
Duplicate atom serial number found: 21016  
Duplicate atom serial number found: 21018  
Ignored bad PDB record found on line 77787  
ATOM 2101a HWS SOL W5585 -89.342 -75.217 71.860 1.00 0.00 H  
  
Ignored bad PDB record found on line 77788  
ATOM 2101c HWS SOL W5585 -87.974 -75.252 71.214 1.00 0.00 H  
  
Ignored bad PDB record found on line 77789  
ATOM 2101e OWS SOL W5586 85.000 -56.778 84.744 1.00 0.00 O  
  
Duplicate atom serial number found: 21020  
Duplicate atom serial number found: 21022  
Duplicate atom serial number found: 21024  
Duplicate atom serial number found: 21026  
Duplicate atom serial number found: 21028  
Ignored bad PDB record found on line 77795  
ATOM 2102a OWS SOL W5588 -67.632 -49.420 -83.317 1.00 0.00 O  
  
Ignored bad PDB record found on line 77796  
ATOM 2102c HWS SOL W5588 -68.177 -50.199 -83.429 1.00 0.00 H  
  
Ignored bad PDB record found on line 77797  
ATOM 2102e HWS SOL W5588 -66.733 -49.747 -83.363 1.00 0.00 H  
  
Duplicate atom serial number found: 21030  
Duplicate atom serial number found: 21032  
Duplicate atom serial number found: 21034  
Duplicate atom serial number found: 21036  
Duplicate atom serial number found: 21038  
Ignored bad PDB record found on line 77803  
ATOM 2103a HWS SOL W5590 81.201 -52.063 81.230 1.00 0.00 H  
  
Ignored bad PDB record found on line 77804  
ATOM 2103c OWS SOL W5591 -83.903 -56.602 85.543 1.00 0.00 O  
  
Ignored bad PDB record found on line 77805  
ATOM 2103e HWS SOL W5591 -83.730 -56.780 86.467 1.00 0.00 H  
  
Duplicate atom serial number found: 21040  
Duplicate atom serial number found: 21042  
Duplicate atom serial number found: 21044  
Duplicate atom serial number found: 21046  
Duplicate atom serial number found: 21048  
Ignored bad PDB record found on line 77811  
ATOM 2104a HWS SOL W5593 -84.394 -58.233 65.386 1.00 0.00 H  
  
Ignored bad PDB record found on line 77812  
ATOM 2104c HWS SOL W5593 -83.525 -59.023 66.341 1.00 0.00 H  
  
Ignored bad PDB record found on line 77813  
ATOM 2104e OWS SOL W5594 81.976 -66.683 84.676 1.00 0.00 O  
  
Duplicate atom serial number found: 21050  
Duplicate atom serial number found: 21052  
Duplicate atom serial number found: 21054  
Duplicate atom serial number found: 21056  
Duplicate atom serial number found: 21058  
Ignored bad PDB record found on line 77819  
ATOM 2105a OWS SOL W5596 84.578 -62.025 68.672 1.00 0.00 O  
  
Ignored bad PDB record found on line 77820  
ATOM 2105c HWS SOL W5596 84.439 -61.079 68.614 1.00 0.00 H  
  
Ignored bad PDB record found on line 77821  
ATOM 2105e HWS SOL W5596 84.458 -62.228 69.600 1.00 0.00 H  
  
Duplicate atom serial number found: 21060  
Duplicate atom serial number found: 21062  
Duplicate atom serial number found: 21064  
Duplicate atom serial number found: 21066  
Duplicate atom serial number found: 21068  
Ignored bad PDB record found on line 77827  
ATOM 2106a HWS SOL W5598 89.186 -44.499 -89.211 1.00 0.00 H  
  
Ignored bad PDB record found on line 77828  
ATOM 2106c OWS SOL W5599 75.498 -49.564 52.640 1.00 0.00 O  
  
Ignored bad PDB record found on line 77829  
ATOM 2106e HWS SOL W5599 76.172 -48.971 52.307 1.00 0.00 H  
  
Duplicate atom serial number found: 21070  
Duplicate atom serial number found: 21072  
Duplicate atom serial number found: 21074  
Duplicate atom serial number found: 21076  
Duplicate atom serial number found: 21078  
Ignored bad PDB record found on line 77835  
ATOM 2107a HWS SOL W5601 -79.375 -43.947 80.180 1.00 0.00 H  
  
Ignored bad PDB record found on line 77836  
ATOM 2107c HWS SOL W5601 -78.870 -42.855 79.262 1.00 0.00 H  
  
Ignored bad PDB record found on line 77837  
ATOM 2107e OWS SOL W5602 -60.603 -69.205 86.359 1.00 0.00 O  
  
Duplicate atom serial number found: 21080  
Duplicate atom serial number found: 21082  
Duplicate atom serial number found: 21084  
Duplicate atom serial number found: 21086  
Duplicate atom serial number found: 21088  
Ignored bad PDB record found on line 77843  
ATOM 2108a OWS SOL W5604 -79.754 -80.805 53.931 1.00 0.00 O  
  
Ignored bad PDB record found on line 77844  
ATOM 2108c HWS SOL W5604 -79.552 -80.941 54.857 1.00 0.00 H  
  
Ignored bad PDB record found on line 77845  
ATOM 2108e HWS SOL W5604 -79.840 -79.856 53.841 1.00 0.00 H  
  
Duplicate atom serial number found: 21090  
Duplicate atom serial number found: 21092  
Duplicate atom serial number found: 21094  
Duplicate atom serial number found: 21096  
Duplicate atom serial number found: 21098  
Ignored bad PDB record found on line 77851  
ATOM 2109a HWS SOL W5606 81.186 -31.876 81.507 1.00 0.00 H  
  
Ignored bad PDB record found on line 77852  
ATOM 2109c OWS SOL W5607 80.532 -65.205 51.567 1.00 0.00 O  
  
Ignored bad PDB record found on line 77853  
ATOM 2109e HWS SOL W5607 81.395 -64.862 51.801 1.00 0.00 H  
  
Ignored bad PDB record found on line 77854  
ATOM 210a0 HWS SOL W5607 80.055 -65.239 52.396 1.00 0.00 H  
  
Ignored bad PDB record found on line 77855  
ATOM 210a2 OWS SOL W5608 -78.963 -75.317 -80.966 1.00 0.00 O  
  
46 messages similar to the above omitted  
Duplicate atom serial number found: 21100  
Duplicate atom serial number found: 21102  
Duplicate atom serial number found: 21104  
Duplicate atom serial number found: 21106  
Duplicate atom serial number found: 21108  
Ignored bad PDB record found on line 77907  
ATOM 2110a HWS SOL W5625 86.342 -58.464 74.635 1.00 0.00 H  
  
Ignored bad PDB record found on line 77908  
ATOM 2110c HWS SOL W5625 87.602 -59.032 74.017 1.00 0.00 H  
  
Ignored bad PDB record found on line 77909  
ATOM 2110e OWS SOL W5626 86.808 -33.547 86.225 1.00 0.00 O  
  
Duplicate atom serial number found: 21110  
Duplicate atom serial number found: 21112  
Duplicate atom serial number found: 21114  
Duplicate atom serial number found: 21116  
Duplicate atom serial number found: 21118  
Ignored bad PDB record found on line 77915  
ATOM 2111a OWS SOL W5628 -88.929 -79.999 67.433 1.00 0.00 O  
  
Ignored bad PDB record found on line 77916  
ATOM 2111c HWS SOL W5628 -88.097 -80.467 67.502 1.00 0.00 H  
  
Ignored bad PDB record found on line 77917  
ATOM 2111e HWS SOL W5628 -89.449 -80.521 66.823 1.00 0.00 H  
  
Duplicate atom serial number found: 21120  
Duplicate atom serial number found: 21122  
Duplicate atom serial number found: 21124  
Duplicate atom serial number found: 21126  
Duplicate atom serial number found: 21128  
Ignored bad PDB record found on line 77923  
ATOM 2112a HWS SOL W5630 -80.110 -59.786 83.661 1.00 0.00 H  
  
Ignored bad PDB record found on line 77924  
ATOM 2112c OWS SOL W5631 81.750 -57.163 84.076 1.00 0.00 O  
  
Ignored bad PDB record found on line 77925  
ATOM 2112e HWS SOL W5631 80.806 -57.143 83.924 1.00 0.00 H  
  
Duplicate atom serial number found: 21130  
Duplicate atom serial number found: 21132  
Duplicate atom serial number found: 21134  
Duplicate atom serial number found: 21136  
Duplicate atom serial number found: 21138  
Ignored bad PDB record found on line 77931  
ATOM 2113a HWS SOL W5633 -82.865 -57.120 -89.067 1.00 0.00 H  
  
Ignored bad PDB record found on line 77932  
ATOM 2113c HWS SOL W5633 -82.492 -57.303 -87.612 1.00 0.00 H  
  
Ignored bad PDB record found on line 77933  
ATOM 2113e OWS SOL W5634 82.435 -62.040 -81.811 1.00 0.00 O  
  
Duplicate atom serial number found: 21140  
Duplicate atom serial number found: 21142  
Duplicate atom serial number found: 21144  
Duplicate atom serial number found: 21146  
Duplicate atom serial number found: 21148  
Ignored bad PDB record found on line 77939  
ATOM 2114a OWS SOL W5636 -79.918 -54.813 -90.167 1.00 0.00 O  
  
Ignored bad PDB record found on line 77940  
ATOM 2114c HWS SOL W5636 -78.989 -54.947 -89.978 1.00 0.00 H  
  
Ignored bad PDB record found on line 77941  
ATOM 2114e HWS SOL W5636 -80.282 -54.471 -89.350 1.00 0.00 H  
  
Duplicate atom serial number found: 21150  
Duplicate atom serial number found: 21152  
Duplicate atom serial number found: 21154  
Duplicate atom serial number found: 21156  
Duplicate atom serial number found: 21158  
Ignored bad PDB record found on line 77947  
ATOM 2115a HWS SOL W5638 -74.476 -54.206 73.857 1.00 0.00 H  
  
Ignored bad PDB record found on line 77948  
ATOM 2115c OWS SOL W5639 -84.372 -56.244 73.025 1.00 0.00 O  
  
Ignored bad PDB record found on line 77949  
ATOM 2115e HWS SOL W5639 -83.986 -55.671 72.362 1.00 0.00 H  
  
Duplicate atom serial number found: 21160  
Duplicate atom serial number found: 21162  
Duplicate atom serial number found: 21164  
Duplicate atom serial number found: 21166  
Duplicate atom serial number found: 21168  
Ignored bad PDB record found on line 77955  
ATOM 2116a HWS SOL W5641 -88.997 -40.165 84.250 1.00 0.00 H  
  
Ignored bad PDB record found on line 77956  
ATOM 2116c HWS SOL W5641 -89.939 -39.144 84.851 1.00 0.00 H  
  
Ignored bad PDB record found on line 77957  
ATOM 2116e OWS SOL W5642 -75.652 -47.098 86.538 1.00 0.00 O  
  
Duplicate atom serial number found: 21170  
Duplicate atom serial number found: 21172  
Duplicate atom serial number found: 21174  
Duplicate atom serial number found: 21176  
Duplicate atom serial number found: 21178  
Ignored bad PDB record found on line 77963  
ATOM 2117a OWS SOL W5644 -64.829 -47.986 71.340 1.00 0.00 O  
  
Ignored bad PDB record found on line 77964  
ATOM 2117c HWS SOL W5644 -65.160 -48.370 72.152 1.00 0.00 H  
  
Ignored bad PDB record found on line 77965  
ATOM 2117e HWS SOL W5644 -64.915 -47.042 71.468 1.00 0.00 H  
  
Duplicate atom serial number found: 21180  
Duplicate atom serial number found: 21182  
Duplicate atom serial number found: 21184  
Duplicate atom serial number found: 21186  
Duplicate atom serial number found: 21188  
Ignored bad PDB record found on line 77971  
ATOM 2118a HWS SOL W5646 -59.564 -67.451 82.735 1.00 0.00 H  
  
Ignored bad PDB record found on line 77972  
ATOM 2118c OWS SOL W5647 -84.404 -62.738 81.537 1.00 0.00 O  
  
Ignored bad PDB record found on line 77973  
ATOM 2118e HWS SOL W5647 -84.550 -63.679 81.435 1.00 0.00 H  
  
Duplicate atom serial number found: 21190  
Duplicate atom serial number found: 21192  
Duplicate atom serial number found: 21194  
Duplicate atom serial number found: 21196  
Duplicate atom serial number found: 21198  
Ignored bad PDB record found on line 77979  
ATOM 2119a HWS SOL W5649 -85.111 -50.536 -81.692 1.00 0.00 H  
  
Ignored bad PDB record found on line 77980  
ATOM 2119c HWS SOL W5649 -86.619 -50.667 -81.701 1.00 0.00 H  
  
Ignored bad PDB record found on line 77981  
ATOM 2119e OWS SOL W5650 -70.268 -47.758 87.645 1.00 0.00 O  
  
Ignored bad PDB record found on line 77982  
ATOM 211a0 HWS SOL W5650 -71.144 -48.134 87.738 1.00 0.00 H  
  
Ignored bad PDB record found on line 77983  
ATOM 211a2 HWS SOL W5650 -69.968 -48.059 86.788 1.00 0.00 H  
  
46 messages similar to the above omitted  
Duplicate atom serial number found: 21200  
Duplicate atom serial number found: 21202  
Duplicate atom serial number found: 21204  
Duplicate atom serial number found: 21206  
Duplicate atom serial number found: 21208  
Ignored bad PDB record found on line 78035  
ATOM 2120a OWS SOL W5668 -73.450 -51.070 89.701 1.00 0.00 O  
  
Ignored bad PDB record found on line 78036  
ATOM 2120c HWS SOL W5668 -73.666 -51.981 89.504 1.00 0.00 H  
  
Ignored bad PDB record found on line 78037  
ATOM 2120e HWS SOL W5668 -73.993 -50.560 89.101 1.00 0.00 H  
  
Duplicate atom serial number found: 21210  
Duplicate atom serial number found: 21212  
Duplicate atom serial number found: 21214  
Duplicate atom serial number found: 21216  
Duplicate atom serial number found: 21218  
Ignored bad PDB record found on line 78043  
ATOM 2121a HWS SOL W5670 -88.039 -74.180 63.210 1.00 0.00 H  
  
Ignored bad PDB record found on line 78044  
ATOM 2121c OWS SOL W5671 87.352 -54.694 82.968 1.00 0.00 O  
  
Ignored bad PDB record found on line 78045  
ATOM 2121e HWS SOL W5671 86.704 -55.005 82.336 1.00 0.00 H  
  
Duplicate atom serial number found: 21220  
Duplicate atom serial number found: 21222  
Duplicate atom serial number found: 21224  
Duplicate atom serial number found: 21226  
Duplicate atom serial number found: 21228  
Ignored bad PDB record found on line 78051  
ATOM 2122a HWS SOL W5673 -81.724 -60.629 88.396 1.00 0.00 H  
  
Ignored bad PDB record found on line 78052  
ATOM 2122c HWS SOL W5673 -82.860 -59.999 87.619 1.00 0.00 H  
  
Ignored bad PDB record found on line 78053  
ATOM 2122e OWS SOL W5674 -69.894 -61.262 78.926 1.00 0.00 O  
  
Duplicate atom serial number found: 21230  
Duplicate atom serial number found: 21232  
Duplicate atom serial number found: 21234  
Duplicate atom serial number found: 21236  
Duplicate atom serial number found: 21238  
Ignored bad PDB record found on line 78059  
ATOM 2123a OWS SOL W5676 -86.704 -38.575 -87.985 1.00 0.00 O  
  
Ignored bad PDB record found on line 78060  
ATOM 2123c HWS SOL W5676 -86.841 -38.677 -88.927 1.00 0.00 H  
  
Ignored bad PDB record found on line 78061  
ATOM 2123e HWS SOL W5676 -87.388 -39.110 -87.583 1.00 0.00 H  
  
Duplicate atom serial number found: 21240  
Duplicate atom serial number found: 21242  
Duplicate atom serial number found: 21244  
Duplicate atom serial number found: 21246  
Duplicate atom serial number found: 21248  
Ignored bad PDB record found on line 78067  
ATOM 2124a HWS SOL W5678 -86.294 -67.801 70.304 1.00 0.00 H  
  
Ignored bad PDB record found on line 78068  
ATOM 2124c OWS SOL W5679 -61.416 -67.950 80.572 1.00 0.00 O  
  
Ignored bad PDB record found on line 78069  
ATOM 2124e HWS SOL W5679 -61.220 -68.879 80.454 1.00 0.00 H  
  
Duplicate atom serial number found: 21250  
Duplicate atom serial number found: 21252  
Duplicate atom serial number found: 21254  
Duplicate atom serial number found: 21256  
Duplicate atom serial number found: 21258  
Ignored bad PDB record found on line 78075  
ATOM 2125a HWS SOL W5681 -81.153 -63.332 76.956 1.00 0.00 H  
  
Ignored bad PDB record found on line 78076  
ATOM 2125c HWS SOL W5681 -81.221 -63.193 75.450 1.00 0.00 H  
  
Ignored bad PDB record found on line 78077  
ATOM 2125e OWS SOL W5682 -78.759 -71.703 85.933 1.00 0.00 O  
  
Duplicate atom serial number found: 21260  
Duplicate atom serial number found: 21262  
Duplicate atom serial number found: 21264  
Duplicate atom serial number found: 21266  
Duplicate atom serial number found: 21268  
Ignored bad PDB record found on line 78083  
ATOM 2126a OWS SOL W5684 -77.226 -36.892 87.461 1.00 0.00 O  
  
Ignored bad PDB record found on line 78084  
ATOM 2126c HWS SOL W5684 -77.330 -37.565 86.788 1.00 0.00 H  
  
Ignored bad PDB record found on line 78085  
ATOM 2126e HWS SOL W5684 -76.606 -37.269 88.084 1.00 0.00 H  
  
Duplicate atom serial number found: 21270  
Duplicate atom serial number found: 21272  
Duplicate atom serial number found: 21274  
Duplicate atom serial number found: 21276  
Duplicate atom serial number found: 21278  
Ignored bad PDB record found on line 78091  
ATOM 2127a HWS SOL W5686 -64.339 -35.087 73.891 1.00 0.00 H  
  
Ignored bad PDB record found on line 78092  
ATOM 2127c OWS SOL W5687 82.404 -57.651 76.696 1.00 0.00 O  
  
Ignored bad PDB record found on line 78093  
ATOM 2127e HWS SOL W5687 81.736 -58.161 77.154 1.00 0.00 H  
  
Duplicate atom serial number found: 21280  
Duplicate atom serial number found: 21282  
Duplicate atom serial number found: 21284  
Duplicate atom serial number found: 21286  
Duplicate atom serial number found: 21288  
Ignored bad PDB record found on line 78099  
ATOM 2128a HWS SOL W5689 -83.288 -53.480 88.905 1.00 0.00 H  
  
Ignored bad PDB record found on line 78100  
ATOM 2128c HWS SOL W5689 -82.465 -52.445 89.642 1.00 0.00 H  
  
Ignored bad PDB record found on line 78101  
ATOM 2128e OWS SOL W5690 -86.590 -37.915 -76.617 1.00 0.00 O  
  
Duplicate atom serial number found: 21290  
Duplicate atom serial number found: 21292  
Duplicate atom serial number found: 21294  
Duplicate atom serial number found: 21296  
Duplicate atom serial number found: 21298  
Ignored bad PDB record found on line 78107  
ATOM 2129a OWS SOL W5692 74.091 -58.201 59.639 1.00 0.00 O  
  
Ignored bad PDB record found on line 78108  
ATOM 2129c HWS SOL W5692 73.759 -57.620 60.324 1.00 0.00 H  
  
Ignored bad PDB record found on line 78109  
ATOM 2129e HWS SOL W5692 74.236 -59.037 60.083 1.00 0.00 H  
  
Ignored bad PDB record found on line 78110  
ATOM 212a0 OWS SOL W5693 -85.305 -54.202 78.829 1.00 0.00 O  
  
Ignored bad PDB record found on line 78111  
ATOM 212a2 HWS SOL W5693 -85.273 -53.863 77.935 1.00 0.00 H  
  
46 messages similar to the above omitted  
Duplicate atom serial number found: 21300  
Duplicate atom serial number found: 21302  
Duplicate atom serial number found: 21304  
Duplicate atom serial number found: 21306  
Duplicate atom serial number found: 21308  
Ignored bad PDB record found on line 78163  
ATOM 2130a HWS SOL W5710 88.330 -64.166 80.119 1.00 0.00 H  
  
Ignored bad PDB record found on line 78164  
ATOM 2130c OWS SOL W5711 77.417 -58.741 79.645 1.00 0.00 O  
  
Ignored bad PDB record found on line 78165  
ATOM 2130e HWS SOL W5711 77.451 -58.018 79.018 1.00 0.00 H  
  
Duplicate atom serial number found: 21310  
Duplicate atom serial number found: 21312  
Duplicate atom serial number found: 21314  
Duplicate atom serial number found: 21316  
Duplicate atom serial number found: 21318  
Ignored bad PDB record found on line 78171  
ATOM 2131a HWS SOL W5713 88.679 -34.559 80.694 1.00 0.00 H  
  
Ignored bad PDB record found on line 78172  
ATOM 2131c HWS SOL W5713 89.691 -33.654 81.363 1.00 0.00 H  
  
Ignored bad PDB record found on line 78173  
ATOM 2131e OWS SOL W5714 -79.632 -31.925 72.801 1.00 0.00 O  
  
Duplicate atom serial number found: 21320  
Duplicate atom serial number found: 21322  
Duplicate atom serial number found: 21324  
Duplicate atom serial number found: 21326  
Duplicate atom serial number found: 21328  
Ignored bad PDB record found on line 78179  
ATOM 2132a OWS SOL W5716 85.656 -75.065 68.671 1.00 0.00 O  
  
Ignored bad PDB record found on line 78180  
ATOM 2132c HWS SOL W5716 84.941 -75.700 68.717 1.00 0.00 H  
  
Ignored bad PDB record found on line 78181  
ATOM 2132e HWS SOL W5716 85.738 -74.730 69.564 1.00 0.00 H  
  
Duplicate atom serial number found: 21330  
Duplicate atom serial number found: 21332  
Duplicate atom serial number found: 21334  
Duplicate atom serial number found: 21336  
Duplicate atom serial number found: 21338  
Ignored bad PDB record found on line 78187  
ATOM 2133a HWS SOL W5718 -61.851 -63.058 -86.045 1.00 0.00 H  
  
Ignored bad PDB record found on line 78188  
ATOM 2133c OWS SOL W5719 -81.665 -53.159 66.227 1.00 0.00 O  
  
Ignored bad PDB record found on line 78189  
ATOM 2133e HWS SOL W5719 -81.757 -53.335 65.291 1.00 0.00 H  
  
Duplicate atom serial number found: 21340  
Duplicate atom serial number found: 21342  
Duplicate atom serial number found: 21344  
Duplicate atom serial number found: 21346  
Duplicate atom serial number found: 21348  
Ignored bad PDB record found on line 78195  
ATOM 2134a HWS SOL W5721 -67.133 -67.566 66.984 1.00 0.00 H  
  
Ignored bad PDB record found on line 78196  
ATOM 2134c HWS SOL W5721 -67.343 -66.278 67.752 1.00 0.00 H  
  
Ignored bad PDB record found on line 78197  
ATOM 2134e OWS SOL W5722 87.779 -62.002 -88.045 1.00 0.00 O  
  
Duplicate atom serial number found: 21350  
Duplicate atom serial number found: 21352  
Duplicate atom serial number found: 21354  
Duplicate atom serial number found: 21356  
Duplicate atom serial number found: 21358  
Ignored bad PDB record found on line 78203  
ATOM 2135a OWS SOL W5724 -78.203 -67.547 -88.521 1.00 0.00 O  
  
Ignored bad PDB record found on line 78204  
ATOM 2135c HWS SOL W5724 -78.637 -67.906 -89.295 1.00 0.00 H  
  
Ignored bad PDB record found on line 78205  
ATOM 2135e HWS SOL W5724 -77.277 -67.512 -88.759 1.00 0.00 H  
  
Duplicate atom serial number found: 21360  
Duplicate atom serial number found: 21362  
Duplicate atom serial number found: 21364  
Duplicate atom serial number found: 21366  
Duplicate atom serial number found: 21368  
Ignored bad PDB record found on line 78211  
ATOM 2136a HWS SOL W5726 -73.114 -57.859 75.567 1.00 0.00 H  
  
Ignored bad PDB record found on line 78212  
ATOM 2136c OWS SOL W5727 -83.370 -70.449 79.779 1.00 0.00 O  
  
Ignored bad PDB record found on line 78213  
ATOM 2136e HWS SOL W5727 -82.694 -70.998 80.177 1.00 0.00 H  
  
Duplicate atom serial number found: 21370  
Duplicate atom serial number found: 21372  
Duplicate atom serial number found: 21374  
Duplicate atom serial number found: 21376  
Duplicate atom serial number found: 21378  
Ignored bad PDB record found on line 78219  
ATOM 2137a HWS SOL W5729 -86.784 -70.006 68.858 1.00 0.00 H  
  
Ignored bad PDB record found on line 78220  
ATOM 2137c HWS SOL W5729 -86.664 -68.620 68.262 1.00 0.00 H  
  
Ignored bad PDB record found on line 78221  
ATOM 2137e OWS SOL W5730 88.243 -59.826 79.770 1.00 0.00 O  
  
Duplicate atom serial number found: 21380  
Duplicate atom serial number found: 21382  
Duplicate atom serial number found: 21384  
Duplicate atom serial number found: 21386  
Duplicate atom serial number found: 21388  
Ignored bad PDB record found on line 78227  
ATOM 2138a OWS SOL W5732 89.868 -45.785 79.286 1.00 0.00 O  
  
Ignored bad PDB record found on line 78228  
ATOM 2138c HWS SOL W5732 90.452 -46.295 78.725 1.00 0.00 H  
  
Ignored bad PDB record found on line 78229  
ATOM 2138e HWS SOL W5732 88.988 -46.077 79.046 1.00 0.00 H  
  
Duplicate atom serial number found: 21390  
Duplicate atom serial number found: 21392  
Duplicate atom serial number found: 21394  
Duplicate atom serial number found: 21396  
Duplicate atom serial number found: 21398  
Ignored bad PDB record found on line 78235  
ATOM 2139a HWS SOL W5734 -77.231 -69.528 -81.946 1.00 0.00 H  
  
Ignored bad PDB record found on line 78236  
ATOM 2139c OWS SOL W5735 -76.530 -28.797 -88.800 1.00 0.00 O  
  
Ignored bad PDB record found on line 78237  
ATOM 2139e HWS SOL W5735 -76.555 -28.558 -89.727 1.00 0.00 H  
  
Ignored bad PDB record found on line 78238  
ATOM 213a0 HWS SOL W5735 -75.634 -29.100 -88.655 1.00 0.00 H  
  
Ignored bad PDB record found on line 78239  
ATOM 213a2 OWS SOL W5736 80.328 -58.941 77.848 1.00 0.00 O  
  
46 messages similar to the above omitted  
Duplicate atom serial number found: 21400  
Duplicate atom serial number found: 21402  
Duplicate atom serial number found: 21404  
Duplicate atom serial number found: 21406  
Duplicate atom serial number found: 21408  
Ignored bad PDB record found on line 78291  
ATOM 2140a HWS SOL W5753 88.625 -47.034 71.993 1.00 0.00 H  
  
Ignored bad PDB record found on line 78292  
ATOM 2140c HWS SOL W5753 88.048 -45.635 72.020 1.00 0.00 H  
  
Ignored bad PDB record found on line 78293  
ATOM 2140e OWS SOL W5754 -87.191 -48.116 77.482 1.00 0.00 O  
  
Duplicate atom serial number found: 21410  
Duplicate atom serial number found: 21412  
Duplicate atom serial number found: 21414  
Duplicate atom serial number found: 21416  
Duplicate atom serial number found: 21418  
Ignored bad PDB record found on line 78299  
ATOM 2141a OWS SOL W5756 -78.251 -45.074 73.923 1.00 0.00 O  
  
Ignored bad PDB record found on line 78300  
ATOM 2141c HWS SOL W5756 -78.322 -44.129 74.059 1.00 0.00 H  
  
Ignored bad PDB record found on line 78301  
ATOM 2141e HWS SOL W5756 -78.191 -45.439 74.806 1.00 0.00 H  
  
Duplicate atom serial number found: 21420  
Duplicate atom serial number found: 21422  
Duplicate atom serial number found: 21424  
Duplicate atom serial number found: 21426  
Duplicate atom serial number found: 21428  
Ignored bad PDB record found on line 78307  
ATOM 2142a HWS SOL W5758 -69.585 -55.918 -73.604 1.00 0.00 H  
  
Ignored bad PDB record found on line 78308  
ATOM 2142c OWS SOL W5759 -87.263 -73.249 72.738 1.00 0.00 O  
  
Ignored bad PDB record found on line 78309  
ATOM 2142e HWS SOL W5759 -86.755 -73.685 72.053 1.00 0.00 H  
  
Duplicate atom serial number found: 21430  
Duplicate atom serial number found: 21432  
Duplicate atom serial number found: 21434  
Duplicate atom serial number found: 21436  
Duplicate atom serial number found: 21438  
Ignored bad PDB record found on line 78315  
ATOM 2143a HWS SOL W5761 82.365 -78.170 63.604 1.00 0.00 H  
  
Ignored bad PDB record found on line 78316  
ATOM 2143c HWS SOL W5761 82.920 -78.623 62.270 1.00 0.00 H  
  
Ignored bad PDB record found on line 78317  
ATOM 2143e OWS SOL W5762 -54.573 -55.471 88.048 1.00 0.00 O  
  
Duplicate atom serial number found: 21440  
Duplicate atom serial number found: 21442  
Duplicate atom serial number found: 21444  
Duplicate atom serial number found: 21446  
Duplicate atom serial number found: 21448  
Ignored bad PDB record found on line 78323  
ATOM 2144a OWS SOL W5764 82.544 -44.499 87.209 1.00 0.00 O  
  
Ignored bad PDB record found on line 78324  
ATOM 2144c HWS SOL W5764 83.001 -45.296 86.942 1.00 0.00 H  
  
Ignored bad PDB record found on line 78325  
ATOM 2144e HWS SOL W5764 82.209 -44.696 88.084 1.00 0.00 H  
  
Duplicate atom serial number found: 21450  
Duplicate atom serial number found: 21452  
Duplicate atom serial number found: 21454  
Duplicate atom serial number found: 21456  
Duplicate atom serial number found: 21458  
Ignored bad PDB record found on line 78331  
ATOM 2145a HWS SOL W5766 -76.474 -43.842 70.017 1.00 0.00 H  
  
Ignored bad PDB record found on line 78332  
ATOM 2145c OWS SOL W5767 89.583 -48.961 73.062 1.00 0.00 O  
  
Ignored bad PDB record found on line 78333  
ATOM 2145e HWS SOL W5767 90.299 -49.099 72.441 1.00 0.00 H  
  
Duplicate atom serial number found: 21460  
Duplicate atom serial number found: 21462  
Duplicate atom serial number found: 21464  
Duplicate atom serial number found: 21466  
Duplicate atom serial number found: 21468  
Ignored bad PDB record found on line 78339  
ATOM 2146a HWS SOL W5769 -81.569 -39.359 72.549 1.00 0.00 H  
  
Ignored bad PDB record found on line 78340  
ATOM 2146c HWS SOL W5769 -81.365 -38.872 73.968 1.00 0.00 H  
  
Ignored bad PDB record found on line 78341  
ATOM 2146e OWS SOL W5770 83.597 -39.629 -88.143 1.00 0.00 O  
  
Duplicate atom serial number found: 21470  
Duplicate atom serial number found: 21472  
Duplicate atom serial number found: 21474  
Duplicate atom serial number found: 21476  
Duplicate atom serial number found: 21478  
Ignored bad PDB record found on line 78347  
ATOM 2147a OWS SOL W5772 -84.029 -60.946 54.707 1.00 0.00 O  
  
Ignored bad PDB record found on line 78348  
ATOM 2147c HWS SOL W5772 -84.258 -60.020 54.628 1.00 0.00 H  
  
Ignored bad PDB record found on line 78349  
ATOM 2147e HWS SOL W5772 -84.870 -61.392 54.814 1.00 0.00 H  
  
Duplicate atom serial number found: 21480  
Duplicate atom serial number found: 21482  
Duplicate atom serial number found: 21484  
Duplicate atom serial number found: 21486  
Duplicate atom serial number found: 21488  
Ignored bad PDB record found on line 78355  
ATOM 2148a HWS SOL W5774 -72.249 -54.799 83.940 1.00 0.00 H  
  
Ignored bad PDB record found on line 78356  
ATOM 2148c OWS SOL W5775 -89.129 -32.037 -83.026 1.00 0.00 O  
  
Ignored bad PDB record found on line 78357  
ATOM 2148e HWS SOL W5775 -89.584 -32.586 -82.388 1.00 0.00 H  
  
Duplicate atom serial number found: 21490  
Duplicate atom serial number found: 21492  
Duplicate atom serial number found: 21494  
Duplicate atom serial number found: 21496  
Duplicate atom serial number found: 21498  
Ignored bad PDB record found on line 78363  
ATOM 2149a HWS SOL W5777 -87.440 -6.137 -77.554 1.00 0.00 H  
  
Ignored bad PDB record found on line 78364  
ATOM 2149c HWS SOL W5777 -87.851 -7.333 -76.722 1.00 0.00 H  
  
Ignored bad PDB record found on line 78365  
ATOM 2149e OWS SOL W5778 -66.331 -21.761 89.431 1.00 0.00 O  
  
Ignored bad PDB record found on line 78366  
ATOM 214a0 HWS SOL W5778 -66.694 -22.506 89.911 1.00 0.00 H  
  
Ignored bad PDB record found on line 78367  
ATOM 214a2 HWS SOL W5778 -67.084 -21.195 89.263 1.00 0.00 H  
  
46 messages similar to the above omitted  
Duplicate atom serial number found: 21500  
Duplicate atom serial number found: 21502  
Duplicate atom serial number found: 21504  
Duplicate atom serial number found: 21506  
Duplicate atom serial number found: 21508  
Ignored bad PDB record found on line 78419  
ATOM 2150a OWS SOL W5796 -88.589 -36.541 -74.343 1.00 0.00 O  
  
Ignored bad PDB record found on line 78420  
ATOM 2150c HWS SOL W5796 -88.150 -35.984 -73.701 1.00 0.00 H  
  
Ignored bad PDB record found on line 78421  
ATOM 2150e HWS SOL W5796 -89.496 -36.586 -74.042 1.00 0.00 H  
  
Duplicate atom serial number found: 21510  
Duplicate atom serial number found: 21512  
Duplicate atom serial number found: 21514  
Duplicate atom serial number found: 21516  
Duplicate atom serial number found: 21518  
Ignored bad PDB record found on line 78427  
ATOM 2151a HWS SOL W5798 -55.040 -23.381 -76.911 1.00 0.00 H  
  
Ignored bad PDB record found on line 78428  
ATOM 2151c OWS SOL W5799 -59.585 -29.389 -69.935 1.00 0.00 O  
  
Ignored bad PDB record found on line 78429  
ATOM 2151e HWS SOL W5799 -59.043 -28.654 -69.648 1.00 0.00 H  
  
Duplicate atom serial number found: 21520  
Duplicate atom serial number found: 21522  
Duplicate atom serial number found: 21524  
Duplicate atom serial number found: 21526  
Duplicate atom serial number found: 21528  
Ignored bad PDB record found on line 78435  
ATOM 2152a HWS SOL W5801 -74.933 -32.272 -83.545 1.00 0.00 H  
  
Ignored bad PDB record found on line 78436  
ATOM 2152c HWS SOL W5801 -75.528 -31.369 -84.604 1.00 0.00 H  
  
Ignored bad PDB record found on line 78437  
ATOM 2152e OWS SOL W5802 -63.718 -33.822 -87.711 1.00 0.00 O  
  
Duplicate atom serial number found: 21530  
Duplicate atom serial number found: 21532  
Duplicate atom serial number found: 21534  
Duplicate atom serial number found: 21536  
Duplicate atom serial number found: 21538  
Ignored bad PDB record found on line 78443  
ATOM 2153a OWS SOL W5804 -83.584 -14.949 83.612 1.00 0.00 O  
  
Ignored bad PDB record found on line 78444  
ATOM 2153c HWS SOL W5804 -83.417 -15.833 83.285 1.00 0.00 H  
  
Ignored bad PDB record found on line 78445  
ATOM 2153e HWS SOL W5804 -82.752 -14.489 83.495 1.00 0.00 H  
  
Duplicate atom serial number found: 21540  
Duplicate atom serial number found: 21542  
Duplicate atom serial number found: 21544  
Duplicate atom serial number found: 21546  
Duplicate atom serial number found: 21548  
Ignored bad PDB record found on line 78451  
ATOM 2154a HWS SOL W5806 -84.742 -13.021 -71.741 1.00 0.00 H  
  
Ignored bad PDB record found on line 78452  
ATOM 2154c OWS SOL W5807 -79.765 -26.790 -84.288 1.00 0.00 O  
  
Ignored bad PDB record found on line 78453  
ATOM 2154e HWS SOL W5807 -80.068 -25.909 -84.069 1.00 0.00 H  
  
Duplicate atom serial number found: 21550  
Duplicate atom serial number found: 21552  
Duplicate atom serial number found: 21554  
Duplicate atom serial number found: 21556  
Duplicate atom serial number found: 21558  
Ignored bad PDB record found on line 78459  
ATOM 2155a HWS SOL W5809 74.670 -17.531 -73.407 1.00 0.00 H  
  
Ignored bad PDB record found on line 78460  
ATOM 2155c HWS SOL W5809 75.950 -16.975 -73.993 1.00 0.00 H  
  
Ignored bad PDB record found on line 78461  
ATOM 2155e OWS SOL W5810 79.741 -28.022 -84.468 1.00 0.00 O  
  
Duplicate atom serial number found: 21560  
Duplicate atom serial number found: 21562  
Duplicate atom serial number found: 21564  
Duplicate atom serial number found: 21566  
Duplicate atom serial number found: 21568  
Ignored bad PDB record found on line 78467  
ATOM 2156a OWS SOL W5812 -75.695 -23.680 -56.977 1.00 0.00 O  
  
Ignored bad PDB record found on line 78468  
ATOM 2156c HWS SOL W5812 -76.228 -23.905 -56.214 1.00 0.00 H  
  
Ignored bad PDB record found on line 78469  
ATOM 2156e HWS SOL W5812 -75.018 -24.356 -57.005 1.00 0.00 H  
  
Duplicate atom serial number found: 21570  
Duplicate atom serial number found: 21572  
Duplicate atom serial number found: 21574  
Duplicate atom serial number found: 21576  
Duplicate atom serial number found: 21578  
Ignored bad PDB record found on line 78475  
ATOM 2157a HWS SOL W5814 -77.050 -17.893 -83.236 1.00 0.00 H  
  
Ignored bad PDB record found on line 78476  
ATOM 2157c OWS SOL W5815 -89.798 -22.160 -75.740 1.00 0.00 O  
  
Ignored bad PDB record found on line 78477  
ATOM 2157e HWS SOL W5815 -89.543 -21.240 -75.667 1.00 0.00 H  
  
Duplicate atom serial number found: 21580  
Duplicate atom serial number found: 21582  
Duplicate atom serial number found: 21584  
Duplicate atom serial number found: 21586  
Duplicate atom serial number found: 21588  
Ignored bad PDB record found on line 78483  
ATOM 2158a HWS SOL W5817 82.551 -20.883 -73.890 1.00 0.00 H  
  
Ignored bad PDB record found on line 78484  
ATOM 2158c HWS SOL W5817 81.748 -19.690 -73.417 1.00 0.00 H  
  
Ignored bad PDB record found on line 78485  
ATOM 2158e OWS SOL W5818 -87.703 -19.509 -52.996 1.00 0.00 O  
  
Duplicate atom serial number found: 21590  
Duplicate atom serial number found: 21592  
Duplicate atom serial number found: 21594  
Duplicate atom serial number found: 21596  
Duplicate atom serial number found: 21598  
Ignored bad PDB record found on line 78491  
ATOM 2159a OWS SOL W5820 89.431 -43.943 -77.651 1.00 0.00 O  
  
Ignored bad PDB record found on line 78492  
ATOM 2159c HWS SOL W5820 89.098 -43.233 -77.102 1.00 0.00 H  
  
Ignored bad PDB record found on line 78493  
ATOM 2159e HWS SOL W5820 88.797 -44.012 -78.364 1.00 0.00 H  
  
Ignored bad PDB record found on line 78494  
ATOM 215a0 OWS SOL W5821 86.893 -28.673 -77.926 1.00 0.00 O  
  
Ignored bad PDB record found on line 78495  
ATOM 215a2 HWS SOL W5821 86.119 -28.452 -78.444 1.00 0.00 H  
  
46 messages similar to the above omitted  
Duplicate atom serial number found: 21600  
Duplicate atom serial number found: 21602  
Duplicate atom serial number found: 21604  
Duplicate atom serial number found: 21606  
Duplicate atom serial number found: 21608  
Ignored bad PDB record found on line 78547  
ATOM 2160a HWS SOL W5838 -77.892 -65.778 -63.004 1.00 0.00 H  
  
Ignored bad PDB record found on line 78548  
ATOM 2160c OWS SOL W5839 -87.987 -21.131 -86.587 1.00 0.00 O  
  
Ignored bad PDB record found on line 78549  
ATOM 2160e HWS SOL W5839 -87.244 -21.731 -86.659 1.00 0.00 H  
  
Duplicate atom serial number found: 21610  
Duplicate atom serial number found: 21612  
Duplicate atom serial number found: 21614  
Duplicate atom serial number found: 21616  
Duplicate atom serial number found: 21618  
Ignored bad PDB record found on line 78555  
ATOM 2161a HWS SOL W5841 -71.407 -29.741 89.390 1.00 0.00 H  
  
Ignored bad PDB record found on line 78556  
ATOM 2161c HWS SOL W5841 -72.108 -31.082 89.430 1.00 0.00 H  
  
Ignored bad PDB record found on line 78557  
ATOM 2161e OWS SOL W5842 -87.921 -50.387 -69.979 1.00 0.00 O  
  
Duplicate atom serial number found: 21620  
Duplicate atom serial number found: 21622  
Duplicate atom serial number found: 21624  
Duplicate atom serial number found: 21626  
Duplicate atom serial number found: 21628  
Ignored bad PDB record found on line 78563  
ATOM 2162a OWS SOL W5844 -66.642 -0.744 -78.700 1.00 0.00 O  
  
Ignored bad PDB record found on line 78564  
ATOM 2162c HWS SOL W5844 -67.155 -0.430 -77.955 1.00 0.00 H  
  
Ignored bad PDB record found on line 78565  
ATOM 2162e HWS SOL W5844 -66.413 0.048 -79.185 1.00 0.00 H  
  
Duplicate atom serial number found: 21630  
Duplicate atom serial number found: 21632  
Duplicate atom serial number found: 21634  
Duplicate atom serial number found: 21636  
Duplicate atom serial number found: 21638  
Ignored bad PDB record found on line 78571  
ATOM 2163a HWS SOL W5846 -75.456 -14.620 -79.619 1.00 0.00 H  
  
Ignored bad PDB record found on line 78572  
ATOM 2163c OWS SOL W5847 -63.980 -32.977 80.637 1.00 0.00 O  
  
Ignored bad PDB record found on line 78573  
ATOM 2163e HWS SOL W5847 -63.559 -32.136 80.460 1.00 0.00 H  
  
Duplicate atom serial number found: 21640  
Duplicate atom serial number found: 21642  
Duplicate atom serial number found: 21644  
Duplicate atom serial number found: 21646  
Duplicate atom serial number found: 21648  
Ignored bad PDB record found on line 78579  
ATOM 2164a HWS SOL W5849 -83.307 -32.372 -86.722 1.00 0.00 H  
  
Ignored bad PDB record found on line 78580  
ATOM 2164c HWS SOL W5849 -82.846 -30.991 -86.306 1.00 0.00 H  
  
Ignored bad PDB record found on line 78581  
ATOM 2164e OWS SOL W5850 -83.147 -26.737 -81.200 1.00 0.00 O  
  
Duplicate atom serial number found: 21650  
Duplicate atom serial number found: 21652  
Duplicate atom serial number found: 21654  
Duplicate atom serial number found: 21656  
Duplicate atom serial number found: 21658  
Ignored bad PDB record found on line 78587  
ATOM 2165a OWS SOL W5852 -89.657 -13.039 86.887 1.00 0.00 O  
  
Ignored bad PDB record found on line 78588  
ATOM 2165c HWS SOL W5852 -88.873 -12.607 87.226 1.00 0.00 H  
  
Ignored bad PDB record found on line 78589  
ATOM 2165e HWS SOL W5852 -89.322 -13.752 86.343 1.00 0.00 H  
  
Duplicate atom serial number found: 21660  
Duplicate atom serial number found: 21662  
Duplicate atom serial number found: 21664  
Duplicate atom serial number found: 21666  
Duplicate atom serial number found: 21668  
Ignored bad PDB record found on line 78595  
ATOM 2166a HWS SOL W5854 -84.451 -4.153 89.042 1.00 0.00 H  
  
Ignored bad PDB record found on line 78596  
ATOM 2166c OWS SOL W5855 -61.957 -23.102 86.588 1.00 0.00 O  
  
Ignored bad PDB record found on line 78597  
ATOM 2166e HWS SOL W5855 -61.190 -23.672 86.529 1.00 0.00 H  
  
Duplicate atom serial number found: 21670  
Duplicate atom serial number found: 21672  
Duplicate atom serial number found: 21674  
Duplicate atom serial number found: 21676  
Duplicate atom serial number found: 21678  
Ignored bad PDB record found on line 78603  
ATOM 2167a HWS SOL W5857 -66.861 -31.599 -75.090 1.00 0.00 H  
  
Ignored bad PDB record found on line 78604  
ATOM 2167c HWS SOL W5857 -66.802 -32.773 -76.043 1.00 0.00 H  
  
Ignored bad PDB record found on line 78605  
ATOM 2167e OWS SOL W5858 -76.961 -6.793 -78.008 1.00 0.00 O  
  
Duplicate atom serial number found: 21680  
Duplicate atom serial number found: 21682  
Duplicate atom serial number found: 21684  
Duplicate atom serial number found: 21686  
Duplicate atom serial number found: 21688  
Ignored bad PDB record found on line 78611  
ATOM 2168a OWS SOL W5860 -88.041 -40.010 -75.128 1.00 0.00 O  
  
Ignored bad PDB record found on line 78612  
ATOM 2168c HWS SOL W5860 -88.409 -40.822 -75.477 1.00 0.00 H  
  
Ignored bad PDB record found on line 78613  
ATOM 2168e HWS SOL W5860 -88.525 -39.316 -75.575 1.00 0.00 H  
  
Duplicate atom serial number found: 21690  
Duplicate atom serial number found: 21692  
Duplicate atom serial number found: 21694  
Duplicate atom serial number found: 21696  
Duplicate atom serial number found: 21698  
Ignored bad PDB record found on line 78619  
ATOM 2169a HWS SOL W5862 -66.684 -15.612 85.318 1.00 0.00 H  
  
Ignored bad PDB record found on line 78620  
ATOM 2169c OWS SOL W5863 85.971 -31.695 -55.348 1.00 0.00 O  
  
Ignored bad PDB record found on line 78621  
ATOM 2169e HWS SOL W5863 85.076 -31.377 -55.224 1.00 0.00 H  
  
Ignored bad PDB record found on line 78622  
ATOM 216a0 HWS SOL W5863 86.476 -30.910 -55.562 1.00 0.00 H  
  
Ignored bad PDB record found on line 78623  
ATOM 216a2 OWS SOL W5864 79.862 -9.181 -88.965 1.00 0.00 O  
  
46 messages similar to the above omitted  
Duplicate atom serial number found: 21700  
Duplicate atom serial number found: 21702  
Duplicate atom serial number found: 21704  
Duplicate atom serial number found: 21706  
Duplicate atom serial number found: 21708  
Ignored bad PDB record found on line 78675  
ATOM 2170a HWS SOL W5881 -76.884 -36.532 77.700 1.00 0.00 H  
  
Ignored bad PDB record found on line 78676  
ATOM 2170c HWS SOL W5881 -76.496 -37.979 77.917 1.00 0.00 H  
  
Ignored bad PDB record found on line 78677  
ATOM 2170e OWS SOL W5882 -89.048 -32.017 85.536 1.00 0.00 O  
  
Duplicate atom serial number found: 21710  
Duplicate atom serial number found: 21712  
Duplicate atom serial number found: 21714  
Duplicate atom serial number found: 21716  
Duplicate atom serial number found: 21718  
Ignored bad PDB record found on line 78683  
ATOM 2171a OWS SOL W5884 -85.750 -16.967 -80.406 1.00 0.00 O  
  
Ignored bad PDB record found on line 78684  
ATOM 2171c HWS SOL W5884 -86.086 -17.020 -79.511 1.00 0.00 H  
  
Ignored bad PDB record found on line 78685  
ATOM 2171e HWS SOL W5884 -85.456 -17.856 -80.604 1.00 0.00 H  
  
Duplicate atom serial number found: 21720  
Duplicate atom serial number found: 21722  
Duplicate atom serial number found: 21724  
Duplicate atom serial number found: 21726  
Duplicate atom serial number found: 21728  
Ignored bad PDB record found on line 78691  
ATOM 2172a HWS SOL W5886 -82.591 -18.412 -73.484 1.00 0.00 H  
  
Ignored bad PDB record found on line 78692  
ATOM 2172c OWS SOL W5887 -77.729 -18.676 -50.666 1.00 0.00 O  
  
Ignored bad PDB record found on line 78693  
ATOM 2172e HWS SOL W5887 -77.848 -19.209 -49.880 1.00 0.00 H  
  
Duplicate atom serial number found: 21730  
Duplicate atom serial number found: 21732  
Duplicate atom serial number found: 21734  
Duplicate atom serial number found: 21736  
Duplicate atom serial number found: 21738  
Ignored bad PDB record found on line 78699  
ATOM 2173a HWS SOL W5889 -71.329 -38.577 -86.523 1.00 0.00 H  
  
Ignored bad PDB record found on line 78700  
ATOM 2173c HWS SOL W5889 -71.951 -39.254 -85.320 1.00 0.00 H  
  
Ignored bad PDB record found on line 78701  
ATOM 2173e OWS SOL W5890 -88.029 -8.348 -73.961 1.00 0.00 O  
  
Duplicate atom serial number found: 21740  
Duplicate atom serial number found: 21742  
Duplicate atom serial number found: 21744  
Duplicate atom serial number found: 21746  
Duplicate atom serial number found: 21748  
Ignored bad PDB record found on line 78707  
ATOM 2174a OWS SOL W5892 -49.274 -25.288 -84.177 1.00 0.00 O  
  
Ignored bad PDB record found on line 78708  
ATOM 2174c HWS SOL W5892 -48.340 -25.327 -84.387 1.00 0.00 H  
  
Ignored bad PDB record found on line 78709  
ATOM 2174e HWS SOL W5892 -49.324 -25.551 -83.258 1.00 0.00 H  
  
Duplicate atom serial number found: 21750  
Duplicate atom serial number found: 21752  
Duplicate atom serial number found: 21754  
Duplicate atom serial number found: 21756  
Duplicate atom serial number found: 21758  
Ignored bad PDB record found on line 78715  
ATOM 2175a HWS SOL W5894 77.915 -8.954 -86.848 1.00 0.00 H  
  
Ignored bad PDB record found on line 78716  
ATOM 2175c OWS SOL W5895 -78.991 -26.872 -52.780 1.00 0.00 O  
  
Ignored bad PDB record found on line 78717  
ATOM 2175e HWS SOL W5895 -79.174 -26.259 -52.068 1.00 0.00 H  
  
Duplicate atom serial number found: 21760  
Duplicate atom serial number found: 21762  
Duplicate atom serial number found: 21764  
Duplicate atom serial number found: 21766  
Duplicate atom serial number found: 21768  
Ignored bad PDB record found on line 78723  
ATOM 2176a HWS SOL W5897 88.950 -28.173 -78.677 1.00 0.00 H  
  
Ignored bad PDB record found on line 78724  
ATOM 2176c HWS SOL W5897 89.971 -29.272 -78.880 1.00 0.00 H  
  
Ignored bad PDB record found on line 78725  
ATOM 2176e OWS SOL W5898 -85.417 -27.592 -79.659 1.00 0.00 O  
  
Duplicate atom serial number found: 21770  
Duplicate atom serial number found: 21772  
Duplicate atom serial number found: 21774  
Duplicate atom serial number found: 21776  
Duplicate atom serial number found: 21778  
Ignored bad PDB record found on line 78731  
ATOM 2177a OWS SOL W5900 80.171 -42.907 -85.341 1.00 0.00 O  
  
Ignored bad PDB record found on line 78732  
ATOM 2177c HWS SOL W5900 80.134 -42.306 -86.086 1.00 0.00 H  
  
Ignored bad PDB record found on line 78733  
ATOM 2177e HWS SOL W5900 81.073 -42.846 -85.029 1.00 0.00 H  
  
Duplicate atom serial number found: 21780  
Duplicate atom serial number found: 21782  
Duplicate atom serial number found: 21784  
Duplicate atom serial number found: 21786  
Duplicate atom serial number found: 21788  
Ignored bad PDB record found on line 78739  
ATOM 2178a HWS SOL W5902 87.205 -30.864 81.516 1.00 0.00 H  
  
Ignored bad PDB record found on line 78740  
ATOM 2178c OWS SOL W5903 86.726 -27.808 -73.748 1.00 0.00 O  
  
Ignored bad PDB record found on line 78741  
ATOM 2178e HWS SOL W5903 87.062 -27.737 -74.641 1.00 0.00 H  
  
Duplicate atom serial number found: 21790  
Duplicate atom serial number found: 21792  
Duplicate atom serial number found: 21794  
Duplicate atom serial number found: 21796  
Duplicate atom serial number found: 21798  
Ignored bad PDB record found on line 78747  
ATOM 2179a HWS SOL W5905 -73.890 -6.938 -59.686 1.00 0.00 H  
  
Ignored bad PDB record found on line 78748  
ATOM 2179c HWS SOL W5905 -74.058 -5.792 -58.712 1.00 0.00 H  
  
Ignored bad PDB record found on line 78749  
ATOM 2179e OWS SOL W5906 83.140 -33.398 -84.044 1.00 0.00 O  
  
Ignored bad PDB record found on line 78750  
ATOM 217a0 HWS SOL W5906 83.002 -34.058 -84.723 1.00 0.00 H  
  
Ignored bad PDB record found on line 78751  
ATOM 217a2 HWS SOL W5906 83.194 -33.899 -83.230 1.00 0.00 H  
  
46 messages similar to the above omitted  
Duplicate atom serial number found: 21800  
Duplicate atom serial number found: 21802  
Duplicate atom serial number found: 21804  
Duplicate atom serial number found: 21806  
Duplicate atom serial number found: 21808  
Ignored bad PDB record found on line 78803  
ATOM 2180a OWS SOL W5924 -71.756 -18.049 -82.500 1.00 0.00 O  
  
Ignored bad PDB record found on line 78804  
ATOM 2180c HWS SOL W5924 -72.556 -17.761 -82.060 1.00 0.00 H  
  
Ignored bad PDB record found on line 78805  
ATOM 2180e HWS SOL W5924 -71.278 -17.241 -82.684 1.00 0.00 H  
  
Duplicate atom serial number found: 21810  
Duplicate atom serial number found: 21812  
Duplicate atom serial number found: 21814  
Duplicate atom serial number found: 21816  
Duplicate atom serial number found: 21818  
Ignored bad PDB record found on line 78811  
ATOM 2181a HWS SOL W5927 87.315 -23.818 -62.000 1.00 0.00 H  
  
Ignored bad PDB record found on line 78812  
ATOM 2181c OWS SOL W5928 -68.198 -40.447 74.188 1.00 0.00 O  
  
Ignored bad PDB record found on line 78813  
ATOM 2181e HWS SOL W5928 -68.419 -41.003 74.935 1.00 0.00 H  
  
Duplicate atom serial number found: 21820  
Duplicate atom serial number found: 21822  
Duplicate atom serial number found: 21824  
Duplicate atom serial number found: 21826  
Duplicate atom serial number found: 21828  
Ignored bad PDB record found on line 78819  
ATOM 2182a HWS SOL W5930 88.676 -20.794 -78.542 1.00 0.00 H  
  
Ignored bad PDB record found on line 78820  
ATOM 2182c HWS SOL W5930 87.385 -20.004 -78.509 1.00 0.00 H  
  
Ignored bad PDB record found on line 78821  
ATOM 2182e OWS SOL W5931 -84.698 1.832 -67.113 1.00 0.00 O  
  
Duplicate atom serial number found: 21830  
Duplicate atom serial number found: 21832  
Duplicate atom serial number found: 21834  
Duplicate atom serial number found: 21836  
Duplicate atom serial number found: 21838  
Ignored bad PDB record found on line 78827  
ATOM 2183a OWS SOL W5933 -75.475 -27.674 -58.651 1.00 0.00 O  
  
Ignored bad PDB record found on line 78828  
ATOM 2183c HWS SOL W5933 -76.282 -28.010 -58.261 1.00 0.00 H  
  
Ignored bad PDB record found on line 78829  
ATOM 2183e HWS SOL W5933 -74.793 -27.891 -58.015 1.00 0.00 H  
  
Duplicate atom serial number found: 21840  
Duplicate atom serial number found: 21842  
Duplicate atom serial number found: 21844  
Duplicate atom serial number found: 21846  
Duplicate atom serial number found: 21848  
Ignored bad PDB record found on line 78835  
ATOM 2184a HWS SOL W5935 -74.503 -15.153 -72.361 1.00 0.00 H  
  
Ignored bad PDB record found on line 78836  
ATOM 2184c OWS SOL W5936 -79.262 -13.664 -81.640 1.00 0.00 O  
  
Ignored bad PDB record found on line 78837  
ATOM 2184e HWS SOL W5936 -80.125 -13.793 -82.032 1.00 0.00 H  
  
Duplicate atom serial number found: 21850  
Duplicate atom serial number found: 21852  
Duplicate atom serial number found: 21854  
Duplicate atom serial number found: 21856  
Duplicate atom serial number found: 21858  
Ignored bad PDB record found on line 78843  
ATOM 2185a HWS SOL W5938 86.068 -40.745 -78.284 1.00 0.00 H  
  
Ignored bad PDB record found on line 78844  
ATOM 2185c HWS SOL W5938 86.038 -39.525 -77.389 1.00 0.00 H  
  
Ignored bad PDB record found on line 78845  
ATOM 2185e OWS SOL W5939 86.226 -11.073 -85.807 1.00 0.00 O  
  
Duplicate atom serial number found: 21860  
Duplicate atom serial number found: 21862  
Duplicate atom serial number found: 21864  
Duplicate atom serial number found: 21866  
Duplicate atom serial number found: 21868  
Ignored bad PDB record found on line 78851  
ATOM 2186a OWS SOL W5941 -86.777 -33.481 -82.604 1.00 0.00 O  
  
Ignored bad PDB record found on line 78852  
ATOM 2186c HWS SOL W5941 -86.964 -34.419 -82.641 1.00 0.00 H  
  
Ignored bad PDB record found on line 78853  
ATOM 2186e HWS SOL W5941 -86.082 -33.350 -83.249 1.00 0.00 H  
  
Duplicate atom serial number found: 21870  
Duplicate atom serial number found: 21872  
Duplicate atom serial number found: 21874  
Duplicate atom serial number found: 21876  
Duplicate atom serial number found: 21878  
Ignored bad PDB record found on line 78859  
ATOM 2187a HWS SOL W5943 87.979 -33.532 89.536 1.00 0.00 H  
  
Ignored bad PDB record found on line 78860  
ATOM 2187c OWS SOL W5944 89.510 -18.150 -73.783 1.00 0.00 O  
  
Ignored bad PDB record found on line 78861  
ATOM 2187e HWS SOL W5944 89.711 -17.215 -73.808 1.00 0.00 H  
  
Duplicate atom serial number found: 21880  
Duplicate atom serial number found: 21882  
Duplicate atom serial number found: 21884  
Duplicate atom serial number found: 21886  
Duplicate atom serial number found: 21888  
Ignored bad PDB record found on line 78867  
ATOM 2188a HWS SOL W5946 -67.678 -8.619 -76.043 1.00 0.00 H  
  
Ignored bad PDB record found on line 78868  
ATOM 2188c HWS SOL W5946 -66.482 -9.374 -76.583 1.00 0.00 H  
  
Ignored bad PDB record found on line 78869  
ATOM 2188e OWS SOL W5947 -80.539 -3.022 79.361 1.00 0.00 O  
  
Duplicate atom serial number found: 21890  
Duplicate atom serial number found: 21892  
Duplicate atom serial number found: 21894  
Duplicate atom serial number found: 21896  
Duplicate atom serial number found: 21898  
Ignored bad PDB record found on line 78875  
ATOM 2189a OWS SOL W5949 89.906 -54.610 -87.199 1.00 0.00 O  
  
Ignored bad PDB record found on line 78876  
ATOM 2189c HWS SOL W5949 90.030 -54.027 -87.948 1.00 0.00 H  
  
Ignored bad PDB record found on line 78877  
ATOM 2189e HWS SOL W5949 89.795 -55.478 -87.587 1.00 0.00 H  
  
Ignored bad PDB record found on line 78878  
ATOM 218a0 OWS SOL W5950 80.023 -4.577 -65.666 1.00 0.00 O  
  
Ignored bad PDB record found on line 78879  
ATOM 218a2 HWS SOL W5950 80.465 -5.283 -65.194 1.00 0.00 H  
  
46 messages similar to the above omitted  
Duplicate atom serial number found: 21900  
Duplicate atom serial number found: 21902  
Duplicate atom serial number found: 21904  
Duplicate atom serial number found: 21906  
Duplicate atom serial number found: 21908  
Ignored bad PDB record found on line 78931  
ATOM 2190a HWS SOL W5967 -78.921 -14.142 -67.420 1.00 0.00 H  
  
Ignored bad PDB record found on line 78932  
ATOM 2190c OWS SOL W5968 -58.494 -26.714 86.402 1.00 0.00 O  
  
Ignored bad PDB record found on line 78933  
ATOM 2190e HWS SOL W5968 -57.716 -26.990 86.885 1.00 0.00 H  
  
Duplicate atom serial number found: 21910  
Duplicate atom serial number found: 21912  
Duplicate atom serial number found: 21914  
Duplicate atom serial number found: 21916  
Duplicate atom serial number found: 21918  
Ignored bad PDB record found on line 78939  
ATOM 2191a HWS SOL W5970 80.363 -7.523 -86.896 1.00 0.00 H  
  
Ignored bad PDB record found on line 78940  
ATOM 2191c HWS SOL W5970 80.236 -6.203 -86.165 1.00 0.00 H  
  
Ignored bad PDB record found on line 78941  
ATOM 2191e OWS SOL W5971 -59.294 -28.799 -88.579 1.00 0.00 O  
  
Duplicate atom serial number found: 21920  
Duplicate atom serial number found: 21922  
Duplicate atom serial number found: 21924  
Duplicate atom serial number found: 21926  
Duplicate atom serial number found: 21928  
Ignored bad PDB record found on line 78947  
ATOM 2192a OWS SOL W5973 -87.147 -21.195 -47.901 1.00 0.00 O  
  
Ignored bad PDB record found on line 78948  
ATOM 2192c HWS SOL W5973 -88.045 -21.185 -48.234 1.00 0.00 H  
  
Ignored bad PDB record found on line 78949  
ATOM 2192e HWS SOL W5973 -86.659 -20.640 -48.509 1.00 0.00 H  
  
Duplicate atom serial number found: 21930  
Duplicate atom serial number found: 21932  
Duplicate atom serial number found: 21934  
Duplicate atom serial number found: 21936  
Duplicate atom serial number found: 21938  
Ignored bad PDB record found on line 78955  
ATOM 2193a HWS SOL W5975 -88.697 -24.581 84.640 1.00 0.00 H  
  
Ignored bad PDB record found on line 78956  
ATOM 2193c OWS SOL W5976 82.070 -44.827 -74.479 1.00 0.00 O  
  
Ignored bad PDB record found on line 78957  
ATOM 2193e HWS SOL W5976 81.756 -45.719 -74.624 1.00 0.00 H  
  
Duplicate atom serial number found: 21940  
Duplicate atom serial number found: 21942  
Duplicate atom serial number found: 21944  
Duplicate atom serial number found: 21946  
Duplicate atom serial number found: 21948  
Ignored bad PDB record found on line 78963  
ATOM 2194a HWS SOL W5978 -89.601 -32.421 -56.612 1.00 0.00 H  
  
Ignored bad PDB record found on line 78964  
ATOM 2194c HWS SOL W5978 -88.112 -32.175 -56.722 1.00 0.00 H  
  
Ignored bad PDB record found on line 78965  
ATOM 2194e OWS SOL W5979 -79.984 -6.112 -69.634 1.00 0.00 O  
  
Duplicate atom serial number found: 21950  
Duplicate atom serial number found: 21952  
Duplicate atom serial number found: 21954  
Duplicate atom serial number found: 21956  
Duplicate atom serial number found: 21958  
Ignored bad PDB record found on line 78971  
ATOM 2195a OWS SOL W5981 83.618 -26.884 -71.618 1.00 0.00 O  
  
Ignored bad PDB record found on line 78972  
ATOM 2195c HWS SOL W5981 84.177 -27.004 -70.850 1.00 0.00 H  
  
Ignored bad PDB record found on line 78973  
ATOM 2195e HWS SOL W5981 83.745 -25.969 -71.867 1.00 0.00 H  
  
Duplicate atom serial number found: 21960  
Duplicate atom serial number found: 21962  
Duplicate atom serial number found: 21964  
Duplicate atom serial number found: 21966  
Duplicate atom serial number found: 21968  
Ignored bad PDB record found on line 78979  
ATOM 2196a HWS SOL W5983 -81.225 -24.096 -82.294 1.00 0.00 H  
  
Ignored bad PDB record found on line 78980  
ATOM 2196c OWS SOL W5984 83.707 -32.741 -70.771 1.00 0.00 O  
  
Ignored bad PDB record found on line 78981  
ATOM 2196e HWS SOL W5984 84.178 -31.978 -71.106 1.00 0.00 H  
  
Duplicate atom serial number found: 21970  
Duplicate atom serial number found: 21972  
Duplicate atom serial number found: 21974  
Duplicate atom serial number found: 21976  
Duplicate atom serial number found: 21978  
Ignored bad PDB record found on line 78987  
ATOM 2197a HWS SOL W5987 -61.730 -45.408 77.368 1.00 0.00 H  
  
Ignored bad PDB record found on line 78988  
ATOM 2197c HWS SOL W5987 -63.111 -46.003 77.188 1.00 0.00 H  
  
Ignored bad PDB record found on line 78989  
ATOM 2197e OWS SOL W5988 -79.465 -49.523 86.831 1.00 0.00 O  
  
Duplicate atom serial number found: 21980  
Duplicate atom serial number found: 21982  
Duplicate atom serial number found: 21984  
Duplicate atom serial number found: 21986  
Duplicate atom serial number found: 21988  
Ignored bad PDB record found on line 78995  
ATOM 2198a OWS SOL W5990 -71.922 -32.193 -77.880 1.00 0.00 O  
  
Ignored bad PDB record found on line 78996  
ATOM 2198c HWS SOL W5990 -71.253 -32.781 -78.234 1.00 0.00 H  
  
Ignored bad PDB record found on line 78997  
ATOM 2198e HWS SOL W5990 -71.429 -31.544 -77.378 1.00 0.00 H  
  
Duplicate atom serial number found: 21990  
Duplicate atom serial number found: 21992  
Duplicate atom serial number found: 21994  
Duplicate atom serial number found: 21996  
Duplicate atom serial number found: 21998  
Ignored bad PDB record found on line 79003  
ATOM 2199a HWS SOL W5992 -75.446 -11.463 -82.973 1.00 0.00 H  
  
Ignored bad PDB record found on line 79004  
ATOM 2199c OWS SOL W5993 -72.294 -25.289 -74.459 1.00 0.00 O  
  
Ignored bad PDB record found on line 79005  
ATOM 2199e HWS SOL W5993 -72.786 -24.510 -74.201 1.00 0.00 H  
  
Ignored bad PDB record found on line 79006  
ATOM 219a0 HWS SOL W5993 -72.404 -25.340 -75.408 1.00 0.00 H  
  
Ignored bad PDB record found on line 79007  
ATOM 219a2 OWS SOL W5994 -85.245 -12.417 -67.207 1.00 0.00 O  
  
814 messages similar to the above omitted  
Duplicate atom serial number found: 22000  
Duplicate atom serial number found: 22002  
Duplicate atom serial number found: 22004  
Duplicate atom serial number found: 22006  
Duplicate atom serial number found: 22008  
Ignored bad PDB record found on line 79827  
ATOM 2200a HWS SOL W6268 -81.867 -21.642 -68.077 1.00 0.00 H  
  
Ignored bad PDB record found on line 79828  
ATOM 2200c HWS SOL W6268 -83.339 -21.990 -68.136 1.00 0.00 H  
  
Ignored bad PDB record found on line 79829  
ATOM 2200e OWS SOL W6269 -86.533 -28.096 -56.656 1.00 0.00 O  
  
Duplicate atom serial number found: 22010  
Duplicate atom serial number found: 22012  
Duplicate atom serial number found: 22014  
Duplicate atom serial number found: 22016  
Duplicate atom serial number found: 22018  
Ignored bad PDB record found on line 79835  
ATOM 2201a OWS SOL W6271 -81.920 -50.418 -59.938 1.00 0.00 O  
  
Ignored bad PDB record found on line 79836  
ATOM 2201c HWS SOL W6271 -81.274 -50.825 -60.515 1.00 0.00 H  
  
Ignored bad PDB record found on line 79837  
ATOM 2201e HWS SOL W6271 -82.414 -51.153 -59.574 1.00 0.00 H  
  
Duplicate atom serial number found: 22020  
Duplicate atom serial number found: 22022  
Duplicate atom serial number found: 22024  
Duplicate atom serial number found: 22026  
Duplicate atom serial number found: 22028  
Ignored bad PDB record found on line 79843  
ATOM 2202a HWS SOL W6273 -71.860 0.886 -48.533 1.00 0.00 H  
  
Ignored bad PDB record found on line 79844  
ATOM 2202c OWS SOL W6274 88.576 -27.479 -43.211 1.00 0.00 O  
  
Ignored bad PDB record found on line 79845  
ATOM 2202e HWS SOL W6274 89.154 -28.232 -43.085 1.00 0.00 H  
  
Duplicate atom serial number found: 22030  
Duplicate atom serial number found: 22032  
Duplicate atom serial number found: 22034  
Duplicate atom serial number found: 22036  
Duplicate atom serial number found: 22038  
Ignored bad PDB record found on line 79851  
ATOM 2203a HWS SOL W6276 -68.292 -10.774 -51.779 1.00 0.00 H  
  
Ignored bad PDB record found on line 79852  
ATOM 2203c HWS SOL W6276 -69.325 -11.691 -51.160 1.00 0.00 H  
  
Ignored bad PDB record found on line 79853  
ATOM 2203e OWS SOL W6277 88.296 -30.274 -58.704 1.00 0.00 O  
  
Duplicate atom serial number found: 22040  
Duplicate atom serial number found: 22042  
Duplicate atom serial number found: 22044  
Duplicate atom serial number found: 22046  
Duplicate atom serial number found: 22048  
Ignored bad PDB record found on line 79859  
ATOM 2204a OWS SOL W6279 -89.200 -16.215 -63.339 1.00 0.00 O  
  
Ignored bad PDB record found on line 79860  
ATOM 2204c HWS SOL W6279 -88.682 -16.231 -64.144 1.00 0.00 H  
  
Ignored bad PDB record found on line 79861  
ATOM 2204e HWS SOL W6279 -88.579 -15.953 -62.659 1.00 0.00 H  
  
Duplicate atom serial number found: 22050  
Duplicate atom serial number found: 22052  
Duplicate atom serial number found: 22054  
Duplicate atom serial number found: 22056  
Duplicate atom serial number found: 22058  
Ignored bad PDB record found on line 79867  
ATOM 2205a HWS SOL W6281 -72.243 -45.885 -60.140 1.00 0.00 H  
  
Ignored bad PDB record found on line 79868  
ATOM 2205c OWS SOL W6282 -83.754 -10.094 -35.059 1.00 0.00 O  
  
Ignored bad PDB record found on line 79869  
ATOM 2205e HWS SOL W6282 -84.593 -10.386 -35.417 1.00 0.00 H  
  
Duplicate atom serial number found: 22060  
Duplicate atom serial number found: 22062  
Duplicate atom serial number found: 22064  
Duplicate atom serial number found: 22066  
Duplicate atom serial number found: 22068  
Ignored bad PDB record found on line 79875  
ATOM 2206a HWS SOL W6284 -88.838 -35.109 -71.546 1.00 0.00 H  
  
Ignored bad PDB record found on line 79876  
ATOM 2206c HWS SOL W6284 -87.670 -34.232 -71.943 1.00 0.00 H  
  
Ignored bad PDB record found on line 79877  
ATOM 2206e OWS SOL W6285 -85.752 -43.691 -30.713 1.00 0.00 O  
  
Duplicate atom serial number found: 22070  
Duplicate atom serial number found: 22072  
Duplicate atom serial number found: 22074  
Duplicate atom serial number found: 22076  
Duplicate atom serial number found: 22078  
Ignored bad PDB record found on line 79883  
ATOM 2207a OWS SOL W6287 88.962 -42.081 -44.754 1.00 0.00 O  
  
Ignored bad PDB record found on line 79884  
ATOM 2207c HWS SOL W6287 89.856 -42.394 -44.889 1.00 0.00 H  
  
Ignored bad PDB record found on line 79885  
ATOM 2207e HWS SOL W6287 88.854 -41.379 -45.397 1.00 0.00 H  
  
Duplicate atom serial number found: 22080  
Duplicate atom serial number found: 22082  
Duplicate atom serial number found: 22084  
Duplicate atom serial number found: 22086  
Duplicate atom serial number found: 22088  
Ignored bad PDB record found on line 79891  
ATOM 2208a HWS SOL W6289 -78.432 -27.614 -37.470 1.00 0.00 H  
  
Ignored bad PDB record found on line 79892  
ATOM 2208c OWS SOL W6290 -84.992 2.779 -60.836 1.00 0.00 O  
  
Ignored bad PDB record found on line 79893  
ATOM 2208e HWS SOL W6290 -85.526 2.679 -60.049 1.00 0.00 H  
  
Duplicate atom serial number found: 22090  
Duplicate atom serial number found: 22092  
Duplicate atom serial number found: 22094  
Duplicate atom serial number found: 22096  
Duplicate atom serial number found: 22098  
Ignored bad PDB record found on line 79899  
ATOM 2209a HWS SOL W6292 -66.188 -21.617 -57.398 1.00 0.00 H  
  
Ignored bad PDB record found on line 79900  
ATOM 2209c HWS SOL W6292 -66.526 -20.238 -57.925 1.00 0.00 H  
  
Ignored bad PDB record found on line 79901  
ATOM 2209e OWS SOL W6293 79.632 -24.643 -60.917 1.00 0.00 O  
  
Ignored bad PDB record found on line 79902  
ATOM 220a0 HWS SOL W6293 79.168 -24.075 -61.533 1.00 0.00 H  
  
Ignored bad PDB record found on line 79903  
ATOM 220a2 HWS SOL W6293 78.937 -25.077 -60.422 1.00 0.00 H  
  
46 messages similar to the above omitted  
Duplicate atom serial number found: 22100  
Duplicate atom serial number found: 22102  
Duplicate atom serial number found: 22104  
Duplicate atom serial number found: 22106  
Duplicate atom serial number found: 22108  
Ignored bad PDB record found on line 79955  
ATOM 2210a OWS SOL W6311 -68.436 -42.603 -61.391 1.00 0.00 O  
  
Ignored bad PDB record found on line 79956  
ATOM 2210c HWS SOL W6311 -68.075 -42.752 -60.518 1.00 0.00 H  
  
Ignored bad PDB record found on line 79957  
ATOM 2210e HWS SOL W6311 -67.734 -42.861 -61.989 1.00 0.00 H  
  
Duplicate atom serial number found: 22110  
Duplicate atom serial number found: 22112  
Duplicate atom serial number found: 22114  
Duplicate atom serial number found: 22116  
Duplicate atom serial number found: 22118  
Ignored bad PDB record found on line 79963  
ATOM 2211a HWS SOL W6313 84.629 -36.323 -63.729 1.00 0.00 H  
  
Ignored bad PDB record found on line 79964  
ATOM 2211c OWS SOL W6314 -66.363 -42.409 -44.990 1.00 0.00 O  
  
Ignored bad PDB record found on line 79965  
ATOM 2211e HWS SOL W6314 -65.628 -42.286 -45.591 1.00 0.00 H  
  
Duplicate atom serial number found: 22120  
Duplicate atom serial number found: 22122  
Duplicate atom serial number found: 22124  
Duplicate atom serial number found: 22126  
Duplicate atom serial number found: 22128  
Ignored bad PDB record found on line 79971  
ATOM 2212a HWS SOL W6316 86.420 -44.923 -63.488 1.00 0.00 H  
  
Ignored bad PDB record found on line 79972  
ATOM 2212c HWS SOL W6316 85.379 -43.851 -63.245 1.00 0.00 H  
  
Ignored bad PDB record found on line 79973  
ATOM 2212e OWS SOL W6317 -83.173 -12.269 -43.921 1.00 0.00 O  
  
Duplicate atom serial number found: 22130  
Duplicate atom serial number found: 22132  
Duplicate atom serial number found: 22134  
Duplicate atom serial number found: 22136  
Duplicate atom serial number found: 22138  
Ignored bad PDB record found on line 79979  
ATOM 2213a OWS SOL W6319 -61.512 -0.370 -67.871 1.00 0.00 O  
  
Ignored bad PDB record found on line 79980  
ATOM 2213c HWS SOL W6319 -61.170 0.098 -68.633 1.00 0.00 H  
  
Ignored bad PDB record found on line 79981  
ATOM 2213e HWS SOL W6319 -62.463 -0.314 -67.962 1.00 0.00 H  
  
Duplicate atom serial number found: 22140  
Duplicate atom serial number found: 22142  
Duplicate atom serial number found: 22144  
Duplicate atom serial number found: 22146  
Duplicate atom serial number found: 22148  
Ignored bad PDB record found on line 79987  
ATOM 2214a HWS SOL W6321 -43.003 -67.306 -50.195 1.00 0.00 H  
  
Ignored bad PDB record found on line 79988  
ATOM 2214c OWS SOL W6322 -77.434 -42.670 -65.919 1.00 0.00 O  
  
Ignored bad PDB record found on line 79989  
ATOM 2214e HWS SOL W6322 -76.549 -42.313 -65.856 1.00 0.00 H  
  
Duplicate atom serial number found: 22150  
Duplicate atom serial number found: 22152  
Duplicate atom serial number found: 22154  
Duplicate atom serial number found: 22156  
Duplicate atom serial number found: 22158  
Ignored bad PDB record found on line 79995  
ATOM 2215a HWS SOL W6324 -75.176 -37.797 -68.816 1.00 0.00 H  
  
Ignored bad PDB record found on line 79996  
ATOM 2215c HWS SOL W6324 -75.161 -36.331 -69.193 1.00 0.00 H  
  
Ignored bad PDB record found on line 79997  
ATOM 2215e OWS SOL W6325 -76.860 -1.208 -32.221 1.00 0.00 O  
  
Duplicate atom serial number found: 22160  
Duplicate atom serial number found: 22162  
Duplicate atom serial number found: 22164  
Duplicate atom serial number found: 22166  
Duplicate atom serial number found: 22168  
Ignored bad PDB record found on line 80003  
ATOM 2216a OWS SOL W6327 -77.746 -7.562 -40.829 1.00 0.00 O  
  
Ignored bad PDB record found on line 80004  
ATOM 2216c HWS SOL W6327 -78.376 -6.933 -41.180 1.00 0.00 H  
  
Ignored bad PDB record found on line 80005  
ATOM 2216e HWS SOL W6327 -76.941 -7.397 -41.321 1.00 0.00 H  
  
Duplicate atom serial number found: 22170  
Duplicate atom serial number found: 22172  
Duplicate atom serial number found: 22174  
Duplicate atom serial number found: 22176  
Duplicate atom serial number found: 22178  
Ignored bad PDB record found on line 80011  
ATOM 2217a HWS SOL W6329 -75.435 -38.161 -57.422 1.00 0.00 H  
  
Ignored bad PDB record found on line 80012  
ATOM 2217c OWS SOL W6330 -73.173 -31.133 -72.331 1.00 0.00 O  
  
Ignored bad PDB record found on line 80013  
ATOM 2217e HWS SOL W6330 -73.750 -30.576 -72.853 1.00 0.00 H  
  
Duplicate atom serial number found: 22180  
Duplicate atom serial number found: 22182  
Duplicate atom serial number found: 22184  
Duplicate atom serial number found: 22186  
Duplicate atom serial number found: 22188  
Ignored bad PDB record found on line 80019  
ATOM 2218a HWS SOL W6332 -57.616 -27.751 -57.836 1.00 0.00 H  
  
Ignored bad PDB record found on line 80020  
ATOM 2218c HWS SOL W6332 -57.160 -29.059 -57.225 1.00 0.00 H  
  
Ignored bad PDB record found on line 80021  
ATOM 2218e OWS SOL W6333 85.571 -22.760 -55.755 1.00 0.00 O  
  
Duplicate atom serial number found: 22190  
Duplicate atom serial number found: 22192  
Duplicate atom serial number found: 22194  
Duplicate atom serial number found: 22196  
Duplicate atom serial number found: 22198  
Ignored bad PDB record found on line 80027  
ATOM 2219a OWS SOL W6335 -85.592 -1.442 -64.780 1.00 0.00 O  
  
Ignored bad PDB record found on line 80028  
ATOM 2219c HWS SOL W6335 -84.957 -1.326 -64.072 1.00 0.00 H  
  
Ignored bad PDB record found on line 80029  
ATOM 2219e HWS SOL W6335 -86.373 -1.787 -64.347 1.00 0.00 H  
  
Ignored bad PDB record found on line 80030  
ATOM 221a0 OWS SOL W6336 -83.328 -33.567 -47.578 1.00 0.00 O  
  
Ignored bad PDB record found on line 80031  
ATOM 221a2 HWS SOL W6336 -82.568 -34.088 -47.320 1.00 0.00 H  
  
46 messages similar to the above omitted  
Duplicate atom serial number found: 22200  
Duplicate atom serial number found: 22202  
Duplicate atom serial number found: 22204  
Duplicate atom serial number found: 22206  
Duplicate atom serial number found: 22208  
Ignored bad PDB record found on line 80083  
ATOM 2220a HWS SOL W6353 -82.631 -19.122 -66.008 1.00 0.00 H  
  
Ignored bad PDB record found on line 80084  
ATOM 2220c OWS SOL W6354 -66.139 -31.461 -70.804 1.00 0.00 O  
  
Ignored bad PDB record found on line 80085  
ATOM 2220e HWS SOL W6354 -65.402 -31.919 -70.399 1.00 0.00 H  
  
Duplicate atom serial number found: 22210  
Duplicate atom serial number found: 22212  
Duplicate atom serial number found: 22214  
Duplicate atom serial number found: 22216  
Duplicate atom serial number found: 22218  
Ignored bad PDB record found on line 80091  
ATOM 2221a HWS SOL W6356 77.936 -23.061 -47.142 1.00 0.00 H  
  
Ignored bad PDB record found on line 80092  
ATOM 2221c HWS SOL W6356 78.245 -21.587 -47.293 1.00 0.00 H  
  
Ignored bad PDB record found on line 80093  
ATOM 2221e OWS SOL W6357 79.164 -18.554 -59.611 1.00 0.00 O  
  
Duplicate atom serial number found: 22220  
Duplicate atom serial number found: 22222  
Duplicate atom serial number found: 22224  
Duplicate atom serial number found: 22226  
Duplicate atom serial number found: 22228  
Ignored bad PDB record found on line 80099  
ATOM 2222a OWS SOL W6359 76.888 -31.444 -68.439 1.00 0.00 O  
  
Ignored bad PDB record found on line 80100  
ATOM 2222c HWS SOL W6359 76.264 -31.438 -69.164 1.00 0.00 H  
  
Ignored bad PDB record found on line 80101  
ATOM 2222e HWS SOL W6359 77.483 -30.718 -68.628 1.00 0.00 H  
  
Duplicate atom serial number found: 22230  
Duplicate atom serial number found: 22232  
Duplicate atom serial number found: 22234  
Duplicate atom serial number found: 22236  
Duplicate atom serial number found: 22238  
Ignored bad PDB record found on line 80107  
ATOM 2223a HWS SOL W6361 82.477 -19.968 -54.505 1.00 0.00 H  
  
Ignored bad PDB record found on line 80108  
ATOM 2223c OWS SOL W6362 -86.679 -13.380 -50.083 1.00 0.00 O  
  
Ignored bad PDB record found on line 80109  
ATOM 2223e HWS SOL W6362 -87.055 -13.151 -49.233 1.00 0.00 H  
  
Duplicate atom serial number found: 22240  
Duplicate atom serial number found: 22242  
Duplicate atom serial number found: 22244  
Duplicate atom serial number found: 22246  
Duplicate atom serial number found: 22248  
Ignored bad PDB record found on line 80115  
ATOM 2224a HWS SOL W6364 87.771 -25.508 -50.338 1.00 0.00 H  
  
Ignored bad PDB record found on line 80116  
ATOM 2224c HWS SOL W6364 87.651 -24.672 -51.595 1.00 0.00 H  
  
Ignored bad PDB record found on line 80117  
ATOM 2224e OWS SOL W6365 -84.422 -5.852 -52.378 1.00 0.00 O  
  
Duplicate atom serial number found: 22250  
Duplicate atom serial number found: 22252  
Duplicate atom serial number found: 22254  
Duplicate atom serial number found: 22256  
Duplicate atom serial number found: 22258  
Ignored bad PDB record found on line 80123  
ATOM 2225a OWS SOL W6367 -69.823 -26.731 -74.433 1.00 0.00 O  
  
Ignored bad PDB record found on line 80124  
ATOM 2225c HWS SOL W6367 -70.572 -26.157 -74.274 1.00 0.00 H  
  
Ignored bad PDB record found on line 80125  
ATOM 2225e HWS SOL W6367 -70.191 -27.615 -74.419 1.00 0.00 H  
  
Duplicate atom serial number found: 22260  
Duplicate atom serial number found: 22262  
Duplicate atom serial number found: 22264  
Duplicate atom serial number found: 22266  
Duplicate atom serial number found: 22268  
Ignored bad PDB record found on line 80131  
ATOM 2226a HWS SOL W6369 -62.784 -17.192 -54.225 1.00 0.00 H  
  
Ignored bad PDB record found on line 80132  
ATOM 2226c OWS SOL W6370 -64.252 -5.571 -27.279 1.00 0.00 O  
  
Ignored bad PDB record found on line 80133  
ATOM 2226e HWS SOL W6370 -64.492 -5.829 -28.169 1.00 0.00 H  
  
Duplicate atom serial number found: 22270  
Duplicate atom serial number found: 22272  
Duplicate atom serial number found: 22274  
Duplicate atom serial number found: 22276  
Duplicate atom serial number found: 22278  
Ignored bad PDB record found on line 80139  
ATOM 2227a HWS SOL W6372 -79.211 -43.562 -77.017 1.00 0.00 H  
  
Ignored bad PDB record found on line 80140  
ATOM 2227c HWS SOL W6372 -79.524 -44.227 -75.693 1.00 0.00 H  
  
Ignored bad PDB record found on line 80141  
ATOM 2227e OWS SOL W6373 -82.020 -17.550 -51.443 1.00 0.00 O  
  
Duplicate atom serial number found: 22280  
Duplicate atom serial number found: 22282  
Duplicate atom serial number found: 22284  
Duplicate atom serial number found: 22286  
Duplicate atom serial number found: 22288  
Ignored bad PDB record found on line 80147  
ATOM 2228a OWS SOL W6375 -90.051 -9.039 -63.769 1.00 0.00 O  
  
Ignored bad PDB record found on line 80148  
ATOM 2228c HWS SOL W6375 -89.748 -8.417 -63.107 1.00 0.00 H  
  
Ignored bad PDB record found on line 80149  
ATOM 2228e HWS SOL W6375 -89.285 -9.581 -63.959 1.00 0.00 H  
  
Duplicate atom serial number found: 22290  
Duplicate atom serial number found: 22292  
Duplicate atom serial number found: 22294  
Duplicate atom serial number found: 22296  
Duplicate atom serial number found: 22298  
Ignored bad PDB record found on line 80155  
ATOM 2229a HWS SOL W6377 87.113 -38.531 -41.739 1.00 0.00 H  
  
Ignored bad PDB record found on line 80156  
ATOM 2229c OWS SOL W6378 -68.407 -17.243 -64.848 1.00 0.00 O  
  
Ignored bad PDB record found on line 80157  
ATOM 2229e HWS SOL W6378 -68.958 -17.232 -64.066 1.00 0.00 H  
  
Ignored bad PDB record found on line 80158  
ATOM 222a0 HWS SOL W6378 -68.970 -17.606 -65.533 1.00 0.00 H  
  
Ignored bad PDB record found on line 80159  
ATOM 222a2 OWS SOL W6379 -66.813 -26.776 -35.469 1.00 0.00 O  
  
46 messages similar to the above omitted  
Duplicate atom serial number found: 22300  
Duplicate atom serial number found: 22302  
Duplicate atom serial number found: 22304  
Duplicate atom serial number found: 22306  
Duplicate atom serial number found: 22308  
Ignored bad PDB record found on line 80211  
ATOM 2230a HWS SOL W6397 -60.382 -43.239 -25.341 1.00 0.00 H  
  
Ignored bad PDB record found on line 80212  
ATOM 2230c HWS SOL W6397 -61.144 -42.966 -24.061 1.00 0.00 H  
  
Ignored bad PDB record found on line 80213  
ATOM 2230e OWS SOL W6398 -65.544 -30.086 -77.983 1.00 0.00 O  
  
Duplicate atom serial number found: 22310  
Duplicate atom serial number found: 22312  
Duplicate atom serial number found: 22314  
Duplicate atom serial number found: 22316  
Duplicate atom serial number found: 22318  
Ignored bad PDB record found on line 80219  
ATOM 2231a OWS SOL W6400 -64.731 -17.957 -54.301 1.00 0.00 O  
  
Ignored bad PDB record found on line 80220  
ATOM 2231c HWS SOL W6400 -65.253 -18.746 -54.451 1.00 0.00 H  
  
Ignored bad PDB record found on line 80221  
ATOM 2231e HWS SOL W6400 -64.966 -17.678 -53.416 1.00 0.00 H  
  
Duplicate atom serial number found: 22320  
Duplicate atom serial number found: 22322  
Duplicate atom serial number found: 22324  
Duplicate atom serial number found: 22326  
Duplicate atom serial number found: 22328  
Ignored bad PDB record found on line 80227  
ATOM 2232a HWS SOL W6402 -82.515 -38.553 -67.336 1.00 0.00 H  
  
Ignored bad PDB record found on line 80228  
ATOM 2232c OWS SOL W6403 86.673 -19.135 -33.292 1.00 0.00 O  
  
Ignored bad PDB record found on line 80229  
ATOM 2232e HWS SOL W6403 86.512 -20.070 -33.167 1.00 0.00 H  
  
Duplicate atom serial number found: 22330  
Duplicate atom serial number found: 22332  
Duplicate atom serial number found: 22334  
Duplicate atom serial number found: 22336  
Duplicate atom serial number found: 22338  
Ignored bad PDB record found on line 80235  
ATOM 2233a HWS SOL W6405 -79.347 -19.547 -43.288 1.00 0.00 H  
  
Ignored bad PDB record found on line 80236  
ATOM 2233c HWS SOL W6405 -78.640 -18.372 -43.930 1.00 0.00 H  
  
Ignored bad PDB record found on line 80237  
ATOM 2233e OWS SOL W6406 -73.372 -21.974 -68.265 1.00 0.00 O  
  
Duplicate atom serial number found: 22340  
Duplicate atom serial number found: 22342  
Duplicate atom serial number found: 22344  
Duplicate atom serial number found: 22346  
Duplicate atom serial number found: 22348  
Ignored bad PDB record found on line 80243  
ATOM 2234a OWS SOL W6408 -83.817 -24.562 -72.512 1.00 0.00 O  
  
Ignored bad PDB record found on line 80244  
ATOM 2234c HWS SOL W6408 -84.554 -24.841 -73.055 1.00 0.00 H  
  
Ignored bad PDB record found on line 80245  
ATOM 2234e HWS SOL W6408 -83.641 -23.663 -72.789 1.00 0.00 H  
  
Duplicate atom serial number found: 22350  
Duplicate atom serial number found: 22352  
Duplicate atom serial number found: 22354  
Duplicate atom serial number found: 22356  
Duplicate atom serial number found: 22358  
Ignored bad PDB record found on line 80251  
ATOM 2235a HWS SOL W6410 -79.355 -31.825 -52.117 1.00 0.00 H  
  
Ignored bad PDB record found on line 80252  
ATOM 2235c OWS SOL W6411 -73.226 -5.272 -53.509 1.00 0.00 O  
  
Ignored bad PDB record found on line 80253  
ATOM 2235e HWS SOL W6411 -72.339 -4.914 -53.479 1.00 0.00 H  
  
Duplicate atom serial number found: 22360  
Duplicate atom serial number found: 22362  
Duplicate atom serial number found: 22364  
Duplicate atom serial number found: 22366  
Duplicate atom serial number found: 22368  
Ignored bad PDB record found on line 80259  
ATOM 2236a HWS SOL W6413 88.395 -18.267 -55.826 1.00 0.00 H  
  
Ignored bad PDB record found on line 80260  
ATOM 2236c HWS SOL W6413 87.232 -17.425 -55.346 1.00 0.00 H  
  
Ignored bad PDB record found on line 80261  
ATOM 2236e OWS SOL W6414 -62.931 -2.988 -47.384 1.00 0.00 O  
  
Duplicate atom serial number found: 22370  
Duplicate atom serial number found: 22372  
Duplicate atom serial number found: 22374  
Duplicate atom serial number found: 22376  
Duplicate atom serial number found: 22378  
Ignored bad PDB record found on line 80267  
ATOM 2237a OWS SOL W6416 -83.057 -21.112 -52.827 1.00 0.00 O  
  
Ignored bad PDB record found on line 80268  
ATOM 2237c HWS SOL W6416 -83.494 -21.956 -52.709 1.00 0.00 H  
  
Ignored bad PDB record found on line 80269  
ATOM 2237e HWS SOL W6416 -83.090 -20.702 -51.963 1.00 0.00 H  
  
Duplicate atom serial number found: 22380  
Duplicate atom serial number found: 22382  
Duplicate atom serial number found: 22384  
Duplicate atom serial number found: 22386  
Duplicate atom serial number found: 22388  
Ignored bad PDB record found on line 80275  
ATOM 2238a HWS SOL W6418 85.952 -43.594 -70.287 1.00 0.00 H  
  
Ignored bad PDB record found on line 80276  
ATOM 2238c OWS SOL W6419 -71.278 -35.005 -74.748 1.00 0.00 O  
  
Ignored bad PDB record found on line 80277  
ATOM 2238e HWS SOL W6419 -71.476 -35.302 -75.636 1.00 0.00 H  
  
Duplicate atom serial number found: 22390  
Duplicate atom serial number found: 22392  
Duplicate atom serial number found: 22394  
Duplicate atom serial number found: 22396  
Duplicate atom serial number found: 22398  
Ignored bad PDB record found on line 80283  
ATOM 2239a HWS SOL W6421 -84.393 -50.743 -68.917 1.00 0.00 H  
  
Ignored bad PDB record found on line 80284  
ATOM 2239c HWS SOL W6421 -82.881 -50.807 -68.957 1.00 0.00 H  
  
Ignored bad PDB record found on line 80285  
ATOM 2239e OWS SOL W6422 88.007 -32.407 -28.915 1.00 0.00 O  
  
Ignored bad PDB record found on line 80286  
ATOM 223a0 HWS SOL W6422 87.407 -32.879 -29.492 1.00 0.00 H  
  
Ignored bad PDB record found on line 80287  
ATOM 223a2 HWS SOL W6422 88.744 -33.006 -28.794 1.00 0.00 H  
  
46 messages similar to the above omitted  
Duplicate atom serial number found: 22400  
Duplicate atom serial number found: 22402  
Duplicate atom serial number found: 22404  
Duplicate atom serial number found: 22406  
Duplicate atom serial number found: 22408  
Ignored bad PDB record found on line 80339  
ATOM 2240a OWS SOL W6441 -82.555 -41.289 -33.720 1.00 0.00 O  
  
Ignored bad PDB record found on line 80340  
ATOM 2240c HWS SOL W6441 -82.316 -42.021 -33.152 1.00 0.00 H  
  
Ignored bad PDB record found on line 80341  
ATOM 2240e HWS SOL W6441 -82.233 -41.541 -34.585 1.00 0.00 H  
  
Duplicate atom serial number found: 22410  
Duplicate atom serial number found: 22412  
Duplicate atom serial number found: 22414  
Duplicate atom serial number found: 22416  
Duplicate atom serial number found: 22418  
Ignored bad PDB record found on line 80347  
ATOM 2241a HWS SOL W6443 76.387 -7.303 -71.054 1.00 0.00 H  
  
Ignored bad PDB record found on line 80348  
ATOM 2241c OWS SOL W6444 -64.708 -6.151 -33.778 1.00 0.00 O  
  
Ignored bad PDB record found on line 80349  
ATOM 2241e HWS SOL W6444 -65.292 -5.405 -33.912 1.00 0.00 H  
  
Duplicate atom serial number found: 22420  
Duplicate atom serial number found: 22422  
Duplicate atom serial number found: 22424  
Duplicate atom serial number found: 22426  
Duplicate atom serial number found: 22428  
Ignored bad PDB record found on line 80355  
ATOM 2242a HWS SOL W6446 -77.614 -21.591 -69.055 1.00 0.00 H  
  
Ignored bad PDB record found on line 80356  
ATOM 2242c HWS SOL W6446 -78.951 -21.100 -68.542 1.00 0.00 H  
  
Ignored bad PDB record found on line 80357  
ATOM 2242e OWS SOL W6447 86.520 -18.880 -45.799 1.00 0.00 O  
  
Duplicate atom serial number found: 22430  
Duplicate atom serial number found: 22432  
Duplicate atom serial number found: 22434  
Duplicate atom serial number found: 22436  
Duplicate atom serial number found: 22438  
Ignored bad PDB record found on line 80363  
ATOM 2243a OWS SOL W6449 -84.794 -26.439 -37.062 1.00 0.00 O  
  
Ignored bad PDB record found on line 80364  
ATOM 2243c HWS SOL W6449 -84.824 -27.343 -37.377 1.00 0.00 H  
  
Ignored bad PDB record found on line 80365  
ATOM 2243e HWS SOL W6449 -85.618 -26.323 -36.589 1.00 0.00 H  
  
Duplicate atom serial number found: 22440  
Duplicate atom serial number found: 22442  
Duplicate atom serial number found: 22444  
Duplicate atom serial number found: 22446  
Duplicate atom serial number found: 22448  
Ignored bad PDB record found on line 80371  
ATOM 2244a HWS SOL W6451 -76.946 -26.669 -47.657 1.00 0.00 H  
  
Ignored bad PDB record found on line 80372  
ATOM 2244c OWS SOL W6452 -81.151 -6.509 -44.623 1.00 0.00 O  
  
Ignored bad PDB record found on line 80373  
ATOM 2244e HWS SOL W6452 -81.174 -6.558 -45.579 1.00 0.00 H  
  
Duplicate atom serial number found: 22450  
Duplicate atom serial number found: 22452  
Duplicate atom serial number found: 22454  
Duplicate atom serial number found: 22456  
Duplicate atom serial number found: 22458  
Ignored bad PDB record found on line 80379  
ATOM 2245a HWS SOL W6454 89.232 -34.894 -73.651 1.00 0.00 H  
  
Ignored bad PDB record found on line 80380  
ATOM 2245c HWS SOL W6454 88.883 -35.920 -72.594 1.00 0.00 H  
  
Ignored bad PDB record found on line 80381  
ATOM 2245e OWS SOL W6455 -76.557 -23.144 -60.576 1.00 0.00 O  
  
Duplicate atom serial number found: 22460  
Duplicate atom serial number found: 22462  
Duplicate atom serial number found: 22464  
Duplicate atom serial number found: 22466  
Duplicate atom serial number found: 22468  
Ignored bad PDB record found on line 80387  
ATOM 2246a OWS SOL W6457 88.862 -7.340 -40.906 1.00 0.00 O  
  
Ignored bad PDB record found on line 80388  
ATOM 2246c HWS SOL W6457 89.492 -6.717 -41.269 1.00 0.00 H  
  
Ignored bad PDB record found on line 80389  
ATOM 2246e HWS SOL W6457 88.592 -7.873 -41.654 1.00 0.00 H  
  
Duplicate atom serial number found: 22470  
Duplicate atom serial number found: 22472  
Duplicate atom serial number found: 22474  
Duplicate atom serial number found: 22476  
Duplicate atom serial number found: 22478  
Ignored bad PDB record found on line 80395  
ATOM 2247a HWS SOL W6459 -71.277 -38.277 -74.167 1.00 0.00 H  
  
Ignored bad PDB record found on line 80396  
ATOM 2247c OWS SOL W6460 -77.538 -39.430 -47.857 1.00 0.00 O  
  
Ignored bad PDB record found on line 80397  
ATOM 2247e HWS SOL W6460 -78.254 -39.824 -47.359 1.00 0.00 H  
  
Duplicate atom serial number found: 22480  
Duplicate atom serial number found: 22482  
Duplicate atom serial number found: 22484  
Duplicate atom serial number found: 22486  
Duplicate atom serial number found: 22488  
Ignored bad PDB record found on line 80403  
ATOM 2248a HWS SOL W6462 88.893 -33.262 -54.744 1.00 0.00 H  
  
Ignored bad PDB record found on line 80404  
ATOM 2248c HWS SOL W6462 90.000 -34.136 -55.293 1.00 0.00 H  
  
Ignored bad PDB record found on line 80405  
ATOM 2248e OWS SOL W6463 -82.980 -22.042 -56.664 1.00 0.00 O  
  
Duplicate atom serial number found: 22490  
Duplicate atom serial number found: 22492  
Duplicate atom serial number found: 22494  
Duplicate atom serial number found: 22496  
Duplicate atom serial number found: 22498  
Ignored bad PDB record found on line 80411  
ATOM 2249a OWS SOL W6465 -87.237 -6.444 -27.983 1.00 0.00 O  
  
Ignored bad PDB record found on line 80412  
ATOM 2249c HWS SOL W6465 -87.221 -5.919 -27.183 1.00 0.00 H  
  
Ignored bad PDB record found on line 80413  
ATOM 2249e HWS SOL W6465 -88.147 -6.728 -28.066 1.00 0.00 H  
  
Ignored bad PDB record found on line 80414  
ATOM 224a0 OWS SOL W6466 -80.323 -18.238 -56.987 1.00 0.00 O  
  
Ignored bad PDB record found on line 80415  
ATOM 224a2 HWS SOL W6466 -79.417 -18.545 -56.948 1.00 0.00 H  
  
46 messages similar to the above omitted  
Duplicate atom serial number found: 22500  
Duplicate atom serial number found: 22502  
Duplicate atom serial number found: 22504  
Duplicate atom serial number found: 22506  
Duplicate atom serial number found: 22508  
Ignored bad PDB record found on line 80467  
ATOM 2250a HWS SOL W6483 -80.919 1.350 -51.741 1.00 0.00 H  
  
Ignored bad PDB record found on line 80468  
ATOM 2250c OWS SOL W6484 84.806 -39.637 -54.198 1.00 0.00 O  
  
Ignored bad PDB record found on line 80469  
ATOM 2250e HWS SOL W6484 85.048 -39.604 -53.273 1.00 0.00 H  
  
Duplicate atom serial number found: 22510  
Duplicate atom serial number found: 22512  
Duplicate atom serial number found: 22514  
Duplicate atom serial number found: 22516  
Duplicate atom serial number found: 22518  
Ignored bad PDB record found on line 80475  
ATOM 2251a HWS SOL W6486 83.522 -12.169 -23.745 1.00 0.00 H  
  
Ignored bad PDB record found on line 80476  
ATOM 2251c HWS SOL W6486 82.450 -11.740 -24.724 1.00 0.00 H  
  
Ignored bad PDB record found on line 80477  
ATOM 2251e OWS SOL W6487 -63.464 -6.234 -64.025 1.00 0.00 O  
  
Duplicate atom serial number found: 22520  
Duplicate atom serial number found: 22522  
Duplicate atom serial number found: 22524  
Duplicate atom serial number found: 22526  
Duplicate atom serial number found: 22528  
Ignored bad PDB record found on line 80483  
ATOM 2252a OWS SOL W6489 -86.163 -30.399 -79.313 1.00 0.00 O  
  
Ignored bad PDB record found on line 80484  
ATOM 2252c HWS SOL W6489 -86.111 -29.515 -79.676 1.00 0.00 H  
  
Ignored bad PDB record found on line 80485  
ATOM 2252e HWS SOL W6489 -85.374 -30.837 -79.632 1.00 0.00 H  
  
Duplicate atom serial number found: 22530  
Duplicate atom serial number found: 22532  
Duplicate atom serial number found: 22534  
Duplicate atom serial number found: 22536  
Duplicate atom serial number found: 22538  
Ignored bad PDB record found on line 80491  
ATOM 2253a HWS SOL W6491 -72.310 -5.681 -79.997 1.00 0.00 H  
  
Ignored bad PDB record found on line 80492  
ATOM 2253c OWS SOL W6492 -85.747 -12.236 -29.003 1.00 0.00 O  
  
Ignored bad PDB record found on line 80493  
ATOM 2253e HWS SOL W6492 -86.257 -12.308 -28.196 1.00 0.00 H  
  
Duplicate atom serial number found: 22540  
Duplicate atom serial number found: 22542  
Duplicate atom serial number found: 22544  
Duplicate atom serial number found: 22546  
Duplicate atom serial number found: 22548  
Ignored bad PDB record found on line 80499  
ATOM 2254a HWS SOL W6494 -76.531 -49.003 -56.262 1.00 0.00 H  
  
Ignored bad PDB record found on line 80500  
ATOM 2254c HWS SOL W6494 -75.696 -48.502 -57.422 1.00 0.00 H  
  
Ignored bad PDB record found on line 80501  
ATOM 2254e OWS SOL W6495 -73.096 -38.256 -49.510 1.00 0.00 O  
  
Duplicate atom serial number found: 22550  
Duplicate atom serial number found: 22552  
Duplicate atom serial number found: 22554  
Duplicate atom serial number found: 22556  
Duplicate atom serial number found: 22558  
Ignored bad PDB record found on line 80507  
ATOM 2255a OWS SOL W6497 -83.059 -21.370 -37.898 1.00 0.00 O  
  
Ignored bad PDB record found on line 80508  
ATOM 2255c HWS SOL W6497 -82.689 -20.790 -38.564 1.00 0.00 H  
  
Ignored bad PDB record found on line 80509  
ATOM 2255e HWS SOL W6497 -83.596 -20.795 -37.352 1.00 0.00 H  
  
Duplicate atom serial number found: 22560  
Duplicate atom serial number found: 22562  
Duplicate atom serial number found: 22564  
Duplicate atom serial number found: 22566  
Duplicate atom serial number found: 22568  
Ignored bad PDB record found on line 80515  
ATOM 2256a HWS SOL W6499 -87.078 -24.457 -53.015 1.00 0.00 H  
  
Ignored bad PDB record found on line 80516  
ATOM 2256c OWS SOL W6500 -81.580 -27.037 -50.838 1.00 0.00 O  
  
Ignored bad PDB record found on line 80517  
ATOM 2256e HWS SOL W6500 -81.936 -26.262 -50.402 1.00 0.00 H  
  
Duplicate atom serial number found: 22570  
Duplicate atom serial number found: 22572  
Duplicate atom serial number found: 22574  
Duplicate atom serial number found: 22576  
Duplicate atom serial number found: 22578  
Ignored bad PDB record found on line 80523  
ATOM 2257a HWS SOL W6502 88.114 -14.010 -50.647 1.00 0.00 H  
  
Ignored bad PDB record found on line 80524  
ATOM 2257c HWS SOL W6502 88.913 -15.070 -51.375 1.00 0.00 H  
  
Ignored bad PDB record found on line 80525  
ATOM 2257e OWS SOL W6503 -77.438 -31.630 -49.163 1.00 0.00 O  
  
Duplicate atom serial number found: 22580  
Duplicate atom serial number found: 22582  
Duplicate atom serial number found: 22584  
Duplicate atom serial number found: 22586  
Duplicate atom serial number found: 22588  
Ignored bad PDB record found on line 80531  
ATOM 2258a OWS SOL W6505 -80.408 -38.202 -52.576 1.00 0.00 O  
  
Ignored bad PDB record found on line 80532  
ATOM 2258c HWS SOL W6505 -81.121 -37.973 -53.172 1.00 0.00 H  
  
Ignored bad PDB record found on line 80533  
ATOM 2258e HWS SOL W6505 -79.745 -37.527 -52.726 1.00 0.00 H  
  
Duplicate atom serial number found: 22590  
Duplicate atom serial number found: 22592  
Duplicate atom serial number found: 22594  
Duplicate atom serial number found: 22596  
Duplicate atom serial number found: 22598  
Ignored bad PDB record found on line 80539  
ATOM 2259a HWS SOL W6507 -86.649 -24.354 -64.804 1.00 0.00 H  
  
Ignored bad PDB record found on line 80540  
ATOM 2259c OWS SOL W6508 -85.340 -54.932 -34.260 1.00 0.00 O  
  
Ignored bad PDB record found on line 80541  
ATOM 2259e HWS SOL W6508 -84.522 -54.830 -33.774 1.00 0.00 H  
  
Ignored bad PDB record found on line 80542  
ATOM 225a0 HWS SOL W6508 -85.643 -54.037 -34.410 1.00 0.00 H  
  
Ignored bad PDB record found on line 80543  
ATOM 225a2 OWS SOL W6509 -69.979 -30.199 -44.327 1.00 0.00 O  
  
46 messages similar to the above omitted  
Duplicate atom serial number found: 22600  
Duplicate atom serial number found: 22602  
Duplicate atom serial number found: 22604  
Duplicate atom serial number found: 22606  
Duplicate atom serial number found: 22608  
Ignored bad PDB record found on line 80595  
ATOM 2260a HWS SOL W6526 -57.854 -45.982 -74.662 1.00 0.00 H  
  
Ignored bad PDB record found on line 80596  
ATOM 2260c HWS SOL W6526 -57.110 -46.794 -73.623 1.00 0.00 H  
  
Ignored bad PDB record found on line 80597  
ATOM 2260e OWS SOL W6527 -64.304 -35.694 -26.655 1.00 0.00 O  
  
Duplicate atom serial number found: 22610  
Duplicate atom serial number found: 22612  
Duplicate atom serial number found: 22614  
Duplicate atom serial number found: 22616  
Duplicate atom serial number found: 22618  
Ignored bad PDB record found on line 80603  
ATOM 2261a OWS SOL W6529 -76.943 -36.910 -57.025 1.00 0.00 O  
  
Ignored bad PDB record found on line 80604  
ATOM 2261c HWS SOL W6529 -77.676 -36.828 -56.415 1.00 0.00 H  
  
Ignored bad PDB record found on line 80605  
ATOM 2261e HWS SOL W6529 -76.421 -36.121 -56.879 1.00 0.00 H  
  
Duplicate atom serial number found: 22620  
Duplicate atom serial number found: 22622  
Duplicate atom serial number found: 22624  
Duplicate atom serial number found: 22626  
Duplicate atom serial number found: 22628  
Ignored bad PDB record found on line 80611  
ATOM 2262a HWS SOL W6531 79.799 -19.813 -27.625 1.00 0.00 H  
  
Ignored bad PDB record found on line 80612  
ATOM 2262c OWS SOL W6532 -87.845 -17.404 -51.016 1.00 0.00 O  
  
Ignored bad PDB record found on line 80613  
ATOM 2262e HWS SOL W6532 -88.699 -17.832 -50.959 1.00 0.00 H  
  
Duplicate atom serial number found: 22630  
Duplicate atom serial number found: 22632  
Duplicate atom serial number found: 22634  
Duplicate atom serial number found: 22636  
Duplicate atom serial number found: 22638  
Ignored bad PDB record found on line 80619  
ATOM 2263a HWS SOL W6534 83.058 -11.353 -46.876 1.00 0.00 H  
  
Ignored bad PDB record found on line 80620  
ATOM 2263c HWS SOL W6534 82.116 -11.668 -45.734 1.00 0.00 H  
  
Ignored bad PDB record found on line 80621  
ATOM 2263e OWS SOL W6535 -73.020 -14.298 -52.412 1.00 0.00 O  
  
Duplicate atom serial number found: 22640  
Duplicate atom serial number found: 22642  
Duplicate atom serial number found: 22644  
Duplicate atom serial number found: 22646  
Duplicate atom serial number found: 22648  
Ignored bad PDB record found on line 80627  
ATOM 2264a OWS SOL W6537 85.396 -16.412 -52.669 1.00 0.00 O  
  
Ignored bad PDB record found on line 80628  
ATOM 2264c HWS SOL W6537 84.842 -17.075 -52.258 1.00 0.00 H  
  
Ignored bad PDB record found on line 80629  
ATOM 2264e HWS SOL W6537 86.268 -16.571 -52.309 1.00 0.00 H  
  
Duplicate atom serial number found: 22650  
Duplicate atom serial number found: 22652  
Duplicate atom serial number found: 22654  
Duplicate atom serial number found: 22656  
Duplicate atom serial number found: 22658  
Ignored bad PDB record found on line 80635  
ATOM 2265a HWS SOL W6539 -82.290 -31.739 -61.126 1.00 0.00 H  
  
Ignored bad PDB record found on line 80636  
ATOM 2265c OWS SOL W6540 -76.947 -35.486 -61.021 1.00 0.00 O  
  
Ignored bad PDB record found on line 80637  
ATOM 2265e HWS SOL W6540 -76.169 -34.937 -61.119 1.00 0.00 H  
  
Duplicate atom serial number found: 22660  
Duplicate atom serial number found: 22662  
Duplicate atom serial number found: 22664  
Duplicate atom serial number found: 22666  
Duplicate atom serial number found: 22668  
Ignored bad PDB record found on line 80643  
ATOM 2266a HWS SOL W6542 -75.877 2.570 -43.631 1.00 0.00 H  
  
Ignored bad PDB record found on line 80644  
ATOM 2266c HWS SOL W6542 -76.703 1.954 -44.740 1.00 0.00 H  
  
Ignored bad PDB record found on line 80645  
ATOM 2266e OWS SOL W6543 -66.291 -39.430 -44.574 1.00 0.00 O  
  
Duplicate atom serial number found: 22670  
Duplicate atom serial number found: 22672  
Duplicate atom serial number found: 22674  
Duplicate atom serial number found: 22676  
Duplicate atom serial number found: 22678  
Ignored bad PDB record found on line 80651  
ATOM 2267a OWS SOL W6545 83.504 -24.949 -67.275 1.00 0.00 O  
  
Ignored bad PDB record found on line 80652  
ATOM 2267c HWS SOL W6545 83.176 -24.193 -67.762 1.00 0.00 H  
  
Ignored bad PDB record found on line 80653  
ATOM 2267e HWS SOL W6545 84.103 -24.577 -66.628 1.00 0.00 H  
  
Duplicate atom serial number found: 22680  
Duplicate atom serial number found: 22682  
Duplicate atom serial number found: 22684  
Duplicate atom serial number found: 22686  
Duplicate atom serial number found: 22688  
Ignored bad PDB record found on line 80659  
ATOM 2268a HWS SOL W6547 90.079 -31.001 -24.041 1.00 0.00 H  
  
Ignored bad PDB record found on line 80660  
ATOM 2268c OWS SOL W6548 -61.299 -36.020 -59.356 1.00 0.00 O  
  
Ignored bad PDB record found on line 80661  
ATOM 2268e HWS SOL W6548 -60.367 -35.874 -59.195 1.00 0.00 H  
  
Duplicate atom serial number found: 22690  
Duplicate atom serial number found: 22692  
Duplicate atom serial number found: 22694  
Duplicate atom serial number found: 22696  
Duplicate atom serial number found: 22698  
Ignored bad PDB record found on line 80667  
ATOM 2269a HWS SOL W6550 -79.094 -29.617 -66.444 1.00 0.00 H  
  
Ignored bad PDB record found on line 80668  
ATOM 2269c HWS SOL W6550 -78.210 -30.720 -66.985 1.00 0.00 H  
  
Ignored bad PDB record found on line 80669  
ATOM 2269e OWS SOL W6551 -75.329 -33.190 -61.336 1.00 0.00 O  
  
Ignored bad PDB record found on line 80670  
ATOM 226a0 HWS SOL W6551 -75.358 -33.358 -62.278 1.00 0.00 H  
  
Ignored bad PDB record found on line 80671  
ATOM 226a2 HWS SOL W6551 -74.690 -32.485 -61.237 1.00 0.00 H  
  
46 messages similar to the above omitted  
Duplicate atom serial number found: 22700  
Duplicate atom serial number found: 22702  
Duplicate atom serial number found: 22704  
Duplicate atom serial number found: 22706  
Duplicate atom serial number found: 22708  
Ignored bad PDB record found on line 80723  
ATOM 2270a OWS SOL W6569 88.743 -24.377 -58.368 1.00 0.00 O  
  
Ignored bad PDB record found on line 80724  
ATOM 2270c HWS SOL W6569 89.535 -24.729 -58.774 1.00 0.00 H  
  
Ignored bad PDB record found on line 80725  
ATOM 2270e HWS SOL W6569 88.675 -24.840 -57.533 1.00 0.00 H  
  
Duplicate atom serial number found: 22710  
Duplicate atom serial number found: 22712  
Duplicate atom serial number found: 22714  
Duplicate atom serial number found: 22716  
Duplicate atom serial number found: 22718  
Ignored bad PDB record found on line 80731  
ATOM 2271a HWS SOL W6571 80.633 -48.691 -48.274 1.00 0.00 H  
  
Ignored bad PDB record found on line 80732  
ATOM 2271c OWS SOL W6572 -72.598 -29.256 -45.575 1.00 0.00 O  
  
Ignored bad PDB record found on line 80733  
ATOM 2271e HWS SOL W6572 -71.828 -29.477 -46.098 1.00 0.00 H  
  
Duplicate atom serial number found: 22720  
Duplicate atom serial number found: 22722  
Duplicate atom serial number found: 22724  
Duplicate atom serial number found: 22726  
Duplicate atom serial number found: 22728  
Ignored bad PDB record found on line 80739  
ATOM 2272a HWS SOL W6574 -86.792 -17.480 -37.833 1.00 0.00 H  
  
Ignored bad PDB record found on line 80740  
ATOM 2272c HWS SOL W6574 -85.848 -18.662 -37.885 1.00 0.00 H  
  
Ignored bad PDB record found on line 80741  
ATOM 2272e OWS SOL W6575 -68.489 -10.297 -40.351 1.00 0.00 O  
  
Duplicate atom serial number found: 22730  
Duplicate atom serial number found: 22732  
Duplicate atom serial number found: 22734  
Duplicate atom serial number found: 22736  
Duplicate atom serial number found: 22738  
Ignored bad PDB record found on line 80747  
ATOM 2273a OWS SOL W6577 -75.328 -39.347 -69.812 1.00 0.00 O  
  
Ignored bad PDB record found on line 80748  
ATOM 2273c HWS SOL W6577 -75.531 -38.933 -70.652 1.00 0.00 H  
  
Ignored bad PDB record found on line 80749  
ATOM 2273e HWS SOL W6577 -74.677 -40.015 -70.025 1.00 0.00 H  
  
Duplicate atom serial number found: 22740  
Duplicate atom serial number found: 22742  
Duplicate atom serial number found: 22744  
Duplicate atom serial number found: 22746  
Duplicate atom serial number found: 22748  
Ignored bad PDB record found on line 80755  
ATOM 2274a HWS SOL W6579 -69.346 -13.581 -61.137 1.00 0.00 H  
  
Ignored bad PDB record found on line 80756  
ATOM 2274c OWS SOL W6580 -83.496 -5.683 -47.712 1.00 0.00 O  
  
Ignored bad PDB record found on line 80757  
ATOM 2274e HWS SOL W6580 -83.232 -4.896 -48.188 1.00 0.00 H  
  
Duplicate atom serial number found: 22750  
Duplicate atom serial number found: 22752  
Duplicate atom serial number found: 22754  
Duplicate atom serial number found: 22756  
Duplicate atom serial number found: 22758  
Ignored bad PDB record found on line 80763  
ATOM 2275a HWS SOL W6582 89.894 -32.885 -50.546 1.00 0.00 H  
  
Ignored bad PDB record found on line 80764  
ATOM 2275c HWS SOL W6582 90.369 -34.322 -50.546 1.00 0.00 H  
  
Ignored bad PDB record found on line 80765  
ATOM 2275e OWS SOL W6583 -79.648 -29.614 -60.112 1.00 0.00 O  
  
Duplicate atom serial number found: 22760  
Duplicate atom serial number found: 22762  
Duplicate atom serial number found: 22764  
Duplicate atom serial number found: 22766  
Duplicate atom serial number found: 22768  
Ignored bad PDB record found on line 80771  
ATOM 2276a OWS SOL W6585 -89.786 -23.378 -48.527 1.00 0.00 O  
  
Ignored bad PDB record found on line 80772  
ATOM 2276c HWS SOL W6585 -90.382 -22.895 -49.100 1.00 0.00 H  
  
Ignored bad PDB record found on line 80773  
ATOM 2276e HWS SOL W6585 -89.267 -23.918 -49.123 1.00 0.00 H  
  
Duplicate atom serial number found: 22770  
Duplicate atom serial number found: 22772  
Duplicate atom serial number found: 22774  
Duplicate atom serial number found: 22776  
Duplicate atom serial number found: 22778  
Ignored bad PDB record found on line 80779  
ATOM 2277a HWS SOL W6587 -72.133 -29.822 -60.660 1.00 0.00 H  
  
Ignored bad PDB record found on line 80780  
ATOM 2277c OWS SOL W6588 73.191 -29.204 -78.259 1.00 0.00 O  
  
Ignored bad PDB record found on line 80781  
ATOM 2277e HWS SOL W6588 73.048 -28.657 -77.487 1.00 0.00 H  
  
Duplicate atom serial number found: 22780  
Duplicate atom serial number found: 22782  
Duplicate atom serial number found: 22784  
Duplicate atom serial number found: 22786  
Duplicate atom serial number found: 22788  
Ignored bad PDB record found on line 80787  
ATOM 2278a HWS SOL W6590 -75.907 -49.624 -60.950 1.00 0.00 H  
  
Ignored bad PDB record found on line 80788  
ATOM 2278c HWS SOL W6590 -76.187 -48.183 -61.321 1.00 0.00 H  
  
Ignored bad PDB record found on line 80789  
ATOM 2278e OWS SOL W6591 -84.164 -25.095 -67.977 1.00 0.00 O  
  
Duplicate atom serial number found: 22790  
Duplicate atom serial number found: 22792  
Duplicate atom serial number found: 22794  
Duplicate atom serial number found: 22796  
Duplicate atom serial number found: 22798  
Ignored bad PDB record found on line 80795  
ATOM 2279a OWS SOL W6593 -72.542 -30.625 -40.801 1.00 0.00 O  
  
Ignored bad PDB record found on line 80796  
ATOM 2279c HWS SOL W6593 -72.696 -30.989 -41.673 1.00 0.00 H  
  
Ignored bad PDB record found on line 80797  
ATOM 2279e HWS SOL W6593 -72.656 -31.367 -40.208 1.00 0.00 H  
  
Ignored bad PDB record found on line 80798  
ATOM 227a0 OWS SOL W6594 -65.213 -29.647 -44.467 1.00 0.00 O  
  
Ignored bad PDB record found on line 80799  
ATOM 227a2 HWS SOL W6594 -65.696 -28.827 -44.572 1.00 0.00 H  
  
46 messages similar to the above omitted  
Duplicate atom serial number found: 22800  
Duplicate atom serial number found: 22802  
Duplicate atom serial number found: 22804  
Duplicate atom serial number found: 22806  
Duplicate atom serial number found: 22808  
Ignored bad PDB record found on line 80851  
ATOM 2280a HWS SOL W6611 -72.239 -45.729 -44.149 1.00 0.00 H  
  
Ignored bad PDB record found on line 80852  
ATOM 2280c OWS SOL W6612 -75.100 -54.237 -53.173 1.00 0.00 O  
  
Ignored bad PDB record found on line 80853  
ATOM 2280e HWS SOL W6612 -74.708 -53.493 -53.629 1.00 0.00 H  
  
Duplicate atom serial number found: 22810  
Duplicate atom serial number found: 22812  
Duplicate atom serial number found: 22814  
Duplicate atom serial number found: 22816  
Duplicate atom serial number found: 22818  
Ignored bad PDB record found on line 80859  
ATOM 2281a HWS SOL W6614 -81.455 -10.748 -37.154 1.00 0.00 H  
  
Ignored bad PDB record found on line 80860  
ATOM 2281c HWS SOL W6614 -81.365 -11.276 -38.570 1.00 0.00 H  
  
Ignored bad PDB record found on line 80861  
ATOM 2281e OWS SOL W6615 -68.042 -49.980 -62.400 1.00 0.00 O  
  
Duplicate atom serial number found: 22820  
Duplicate atom serial number found: 22822  
Duplicate atom serial number found: 22824  
Duplicate atom serial number found: 22826  
Duplicate atom serial number found: 22828  
Ignored bad PDB record found on line 80867  
ATOM 2282a OWS SOL W6617 -85.090 -16.405 -34.085 1.00 0.00 O  
  
Ignored bad PDB record found on line 80868  
ATOM 2282c HWS SOL W6617 -84.801 -17.280 -34.345 1.00 0.00 H  
  
Ignored bad PDB record found on line 80869  
ATOM 2282e HWS SOL W6617 -86.043 -16.472 -34.038 1.00 0.00 H  
  
Duplicate atom serial number found: 22830  
Duplicate atom serial number found: 22832  
Duplicate atom serial number found: 22834  
Duplicate atom serial number found: 22836  
Duplicate atom serial number found: 22838  
Ignored bad PDB record found on line 80875  
ATOM 2283a HWS SOL W6619 84.997 -14.590 -70.461 1.00 0.00 H  
  
Ignored bad PDB record found on line 80876  
ATOM 2283c OWS SOL W6620 -84.311 -19.282 -36.604 1.00 0.00 O  
  
Ignored bad PDB record found on line 80877  
ATOM 2283e HWS SOL W6620 -83.385 -19.095 -36.447 1.00 0.00 H  
  
Duplicate atom serial number found: 22840  
Duplicate atom serial number found: 22842  
Duplicate atom serial number found: 22844  
Duplicate atom serial number found: 22846  
Duplicate atom serial number found: 22848  
Ignored bad PDB record found on line 80883  
ATOM 2284a HWS SOL W6622 -75.907 -29.912 -73.878 1.00 0.00 H  
  
Ignored bad PDB record found on line 80884  
ATOM 2284c HWS SOL W6622 -74.826 -29.141 -74.605 1.00 0.00 H  
  
Ignored bad PDB record found on line 80885  
ATOM 2284e OWS SOL W6623 -83.773 -12.175 -75.847 1.00 0.00 O  
  
Duplicate atom serial number found: 22850  
Duplicate atom serial number found: 22852  
Duplicate atom serial number found: 22854  
Duplicate atom serial number found: 22856  
Duplicate atom serial number found: 22858  
Ignored bad PDB record found on line 80891  
ATOM 2285a OWS SOL W6625 -75.798 -15.352 -50.536 1.00 0.00 O  
  
Ignored bad PDB record found on line 80892  
ATOM 2285c HWS SOL W6625 -76.748 -15.390 -50.427 1.00 0.00 H  
  
Ignored bad PDB record found on line 80893  
ATOM 2285e HWS SOL W6625 -75.597 -16.071 -51.136 1.00 0.00 H  
  
Duplicate atom serial number found: 22860  
Duplicate atom serial number found: 22862  
Duplicate atom serial number found: 22864  
Duplicate atom serial number found: 22866  
Duplicate atom serial number found: 22868  
Ignored bad PDB record found on line 80899  
ATOM 2286a HWS SOL W6627 -72.397 0.104 -63.277 1.00 0.00 H  
  
Ignored bad PDB record found on line 80900  
ATOM 2286c OWS SOL W6628 86.798 -40.302 -51.985 1.00 0.00 O  
  
Ignored bad PDB record found on line 80901  
ATOM 2286e HWS SOL W6628 86.285 -41.088 -51.794 1.00 0.00 H  
  
Duplicate atom serial number found: 22870  
Duplicate atom serial number found: 22872  
Duplicate atom serial number found: 22874  
Duplicate atom serial number found: 22876  
Duplicate atom serial number found: 22878  
Ignored bad PDB record found on line 80907  
ATOM 2287a HWS SOL W6630 88.381 -14.249 -58.881 1.00 0.00 H  
  
Ignored bad PDB record found on line 80908  
ATOM 2287c HWS SOL W6630 88.750 -15.490 -58.096 1.00 0.00 H  
  
Ignored bad PDB record found on line 80909  
ATOM 2287e OWS SOL W6631 -77.053 -19.505 -63.918 1.00 0.00 O  
  
Duplicate atom serial number found: 22880  
Duplicate atom serial number found: 22882  
Duplicate atom serial number found: 22884  
Duplicate atom serial number found: 22886  
Duplicate atom serial number found: 22888  
Ignored bad PDB record found on line 80915  
ATOM 2288a OWS SOL W6633 -84.366 -31.873 -29.812 1.00 0.00 O  
  
Ignored bad PDB record found on line 80916  
ATOM 2288c HWS SOL W6633 -83.688 -31.319 -29.425 1.00 0.00 H  
  
Ignored bad PDB record found on line 80917  
ATOM 2288e HWS SOL W6633 -84.257 -31.761 -30.756 1.00 0.00 H  
  
Duplicate atom serial number found: 22890  
Duplicate atom serial number found: 22892  
Duplicate atom serial number found: 22894  
Duplicate atom serial number found: 22896  
Duplicate atom serial number found: 22898  
Ignored bad PDB record found on line 80923  
ATOM 2289a HWS SOL W6635 -85.421 -6.370 -61.406 1.00 0.00 H  
  
Ignored bad PDB record found on line 80924  
ATOM 2289c OWS SOL W6636 -77.552 -0.524 -60.732 1.00 0.00 O  
  
Ignored bad PDB record found on line 80925  
ATOM 2289e HWS SOL W6636 -77.622 0.349 -60.347 1.00 0.00 H  
  
Ignored bad PDB record found on line 80926  
ATOM 228a0 HWS SOL W6636 -77.214 -1.072 -60.024 1.00 0.00 H  
  
Ignored bad PDB record found on line 80927  
ATOM 228a2 OWS SOL W6637 88.419 -30.028 -49.811 1.00 0.00 O  
  
46 messages similar to the above omitted  
Duplicate atom serial number found: 22900  
Duplicate atom serial number found: 22902  
Duplicate atom serial number found: 22904  
Duplicate atom serial number found: 22906  
Duplicate atom serial number found: 22908  
Ignored bad PDB record found on line 80979  
ATOM 2290a HWS SOL W6654 -87.693 -0.394 -53.346 1.00 0.00 H  
  
Ignored bad PDB record found on line 80980  
ATOM 2290c HWS SOL W6654 -87.833 -1.897 -53.236 1.00 0.00 H  
  
Ignored bad PDB record found on line 80981  
ATOM 2290e OWS SOL W6655 -80.552 -46.760 -74.255 1.00 0.00 O  
  
Duplicate atom serial number found: 22910  
Duplicate atom serial number found: 22912  
Duplicate atom serial number found: 22914  
Duplicate atom serial number found: 22916  
Duplicate atom serial number found: 22918  
Ignored bad PDB record found on line 80987  
ATOM 2291a OWS SOL W6657 -67.359 -2.705 -30.772 1.00 0.00 O  
  
Ignored bad PDB record found on line 80988  
ATOM 2291c HWS SOL W6657 -66.986 -1.824 -30.757 1.00 0.00 H  
  
Ignored bad PDB record found on line 80989  
ATOM 2291e HWS SOL W6657 -67.432 -2.951 -29.850 1.00 0.00 H  
  
Duplicate atom serial number found: 22920  
Duplicate atom serial number found: 22922  
Duplicate atom serial number found: 22924  
Duplicate atom serial number found: 22926  
Duplicate atom serial number found: 22928  
Ignored bad PDB record found on line 80995  
ATOM 2292a HWS SOL W6659 81.662 -28.920 -39.870 1.00 0.00 H  
  
Ignored bad PDB record found on line 80996  
ATOM 2292c OWS SOL W6660 -88.446 -12.370 -60.529 1.00 0.00 O  
  
Ignored bad PDB record found on line 80997  
ATOM 2292e HWS SOL W6660 -88.007 -11.825 -61.182 1.00 0.00 H  
  
Duplicate atom serial number found: 22930  
Duplicate atom serial number found: 22932  
Duplicate atom serial number found: 22934  
Duplicate atom serial number found: 22936  
Duplicate atom serial number found: 22938  
Ignored bad PDB record found on line 81003  
ATOM 2293a HWS SOL W6662 -80.804 -42.199 -67.405 1.00 0.00 H  
  
Ignored bad PDB record found on line 81004  
ATOM 2293c HWS SOL W6662 -81.481 -40.863 -67.623 1.00 0.00 H  
  
Ignored bad PDB record found on line 81005  
ATOM 2293e OWS SOL W6663 -75.319 -58.322 -64.865 1.00 0.00 O  
  
Duplicate atom serial number found: 22940  
Duplicate atom serial number found: 22942  
Duplicate atom serial number found: 22944  
Duplicate atom serial number found: 22946  
Duplicate atom serial number found: 22948  
Ignored bad PDB record found on line 81011  
ATOM 2294a OWS SOL W6665 -84.456 -42.352 -39.536 1.00 0.00 O  
  
Ignored bad PDB record found on line 81012  
ATOM 2294c HWS SOL W6665 -85.050 -41.863 -40.105 1.00 0.00 H  
  
Ignored bad PDB record found on line 81013  
ATOM 2294e HWS SOL W6665 -84.839 -43.227 -39.484 1.00 0.00 H  
  
Duplicate atom serial number found: 22950  
Duplicate atom serial number found: 22952  
Duplicate atom serial number found: 22954  
Duplicate atom serial number found: 22956  
Duplicate atom serial number found: 22958  
Ignored bad PDB record found on line 81019  
ATOM 2295a HWS SOL W6667 -83.381 -15.628 -53.368 1.00 0.00 H  
  
Ignored bad PDB record found on line 81020  
ATOM 2295c OWS SOL W6668 -69.891 -16.274 -49.465 1.00 0.00 O  
  
Ignored bad PDB record found on line 81021  
ATOM 2295e HWS SOL W6668 -69.385 -15.827 -48.786 1.00 0.00 H  
  
Duplicate atom serial number found: 22960  
Duplicate atom serial number found: 22962  
Duplicate atom serial number found: 22964  
Duplicate atom serial number found: 22966  
Duplicate atom serial number found: 22968  
Ignored bad PDB record found on line 81027  
ATOM 2296a HWS SOL W6670 -84.267 -34.396 -36.403 1.00 0.00 H  
  
Ignored bad PDB record found on line 81028  
ATOM 2296c HWS SOL W6670 -83.071 -34.843 -35.588 1.00 0.00 H  
  
Ignored bad PDB record found on line 81029  
ATOM 2296e OWS SOL W6671 65.403 -32.034 -50.612 1.00 0.00 O  
  
Duplicate atom serial number found: 22970  
Duplicate atom serial number found: 22972  
Duplicate atom serial number found: 22974  
Duplicate atom serial number found: 22976  
Duplicate atom serial number found: 22978  
Ignored bad PDB record found on line 81035  
ATOM 2297a OWS SOL W6673 -76.110 -28.469 -39.938 1.00 0.00 O  
  
Ignored bad PDB record found on line 81036  
ATOM 2297c HWS SOL W6673 -76.216 -29.420 -39.970 1.00 0.00 H  
  
Ignored bad PDB record found on line 81037  
ATOM 2297e HWS SOL W6673 -76.760 -28.177 -39.299 1.00 0.00 H  
  
Duplicate atom serial number found: 22980  
Duplicate atom serial number found: 22982  
Duplicate atom serial number found: 22984  
Duplicate atom serial number found: 22986  
Duplicate atom serial number found: 22988  
Ignored bad PDB record found on line 81043  
ATOM 2298a HWS SOL W6676 -69.687 -30.604 -50.195 1.00 0.00 H  
  
Ignored bad PDB record found on line 81044  
ATOM 2298c OWS SOL W6677 80.383 -29.347 -55.584 1.00 0.00 O  
  
Ignored bad PDB record found on line 81045  
ATOM 2298e HWS SOL W6677 80.851 -29.628 -56.370 1.00 0.00 H  
  
Duplicate atom serial number found: 22990  
Duplicate atom serial number found: 22992  
Duplicate atom serial number found: 22994  
Duplicate atom serial number found: 22996  
Duplicate atom serial number found: 22998  
Ignored bad PDB record found on line 81051  
ATOM 2299a HWS SOL W6679 -83.176 -12.098 -47.983 1.00 0.00 H  
  
Ignored bad PDB record found on line 81052  
ATOM 2299c HWS SOL W6679 -82.652 -13.046 -46.925 1.00 0.00 H  
  
Ignored bad PDB record found on line 81053  
ATOM 2299e OWS SOL W6680 -79.141 -10.674 -59.618 1.00 0.00 O  
  
Ignored bad PDB record found on line 81054  
ATOM 229a0 HWS SOL W6680 -78.720 -10.196 -58.903 1.00 0.00 H  
  
Ignored bad PDB record found on line 81055  
ATOM 229a2 HWS SOL W6680 -78.628 -11.478 -59.702 1.00 0.00 H  
  
814 messages similar to the above omitted  
Duplicate atom serial number found: 23000  
Duplicate atom serial number found: 23002  
Duplicate atom serial number found: 23004  
Duplicate atom serial number found: 23006  
Duplicate atom serial number found: 23008  
Ignored bad PDB record found on line 81875  
ATOM 2300a OWS SOL W6955 -75.712 -30.358 -43.721 1.00 0.00 O  
  
Ignored bad PDB record found on line 81876  
ATOM 2300c HWS SOL W6955 -76.452 -30.262 -44.320 1.00 0.00 H  
  
Ignored bad PDB record found on line 81877  
ATOM 2300e HWS SOL W6955 -75.466 -29.460 -43.499 1.00 0.00 H  
  
Duplicate atom serial number found: 23010  
Duplicate atom serial number found: 23012  
Duplicate atom serial number found: 23014  
Duplicate atom serial number found: 23016  
Duplicate atom serial number found: 23018  
Ignored bad PDB record found on line 81883  
ATOM 2301a HWS SOL W6957 -80.852 -41.622 -36.712 1.00 0.00 H  
  
Ignored bad PDB record found on line 81884  
ATOM 2301c OWS SOL W6958 -84.755 -19.352 -21.929 1.00 0.00 O  
  
Ignored bad PDB record found on line 81885  
ATOM 2301e HWS SOL W6958 -84.710 -19.488 -20.982 1.00 0.00 H  
  
Duplicate atom serial number found: 23020  
Duplicate atom serial number found: 23022  
Duplicate atom serial number found: 23024  
Duplicate atom serial number found: 23026  
Duplicate atom serial number found: 23028  
Ignored bad PDB record found on line 81891  
ATOM 2302a HWS SOL W6961 90.117 -43.548 -33.645 1.00 0.00 H  
  
Ignored bad PDB record found on line 81892  
ATOM 2302c HWS SOL W6961 89.857 -42.861 -34.969 1.00 0.00 H  
  
Ignored bad PDB record found on line 81893  
ATOM 2302e OWS SOL W6962 -85.799 -18.844 -14.608 1.00 0.00 O  
  
Duplicate atom serial number found: 23030  
Duplicate atom serial number found: 23032  
Duplicate atom serial number found: 23034  
Duplicate atom serial number found: 23036  
Duplicate atom serial number found: 23038  
Ignored bad PDB record found on line 81899  
ATOM 2303a OWS SOL W6964 88.505 -21.061 -46.290 1.00 0.00 O  
  
Ignored bad PDB record found on line 81900  
ATOM 2303c HWS SOL W6964 88.786 -20.330 -46.840 1.00 0.00 H  
  
Ignored bad PDB record found on line 81901  
ATOM 2303e HWS SOL W6964 88.839 -21.839 -46.736 1.00 0.00 H  
  
Duplicate atom serial number found: 23040  
Duplicate atom serial number found: 23042  
Duplicate atom serial number found: 23044  
Duplicate atom serial number found: 23046  
Duplicate atom serial number found: 23048  
Ignored bad PDB record found on line 81907  
ATOM 2304a HWS SOL W6966 86.654 -39.943 -21.813 1.00 0.00 H  
  
Ignored bad PDB record found on line 81908  
ATOM 2304c OWS SOL W6967 -79.512 -19.776 -22.471 1.00 0.00 O  
  
Ignored bad PDB record found on line 81909  
ATOM 2304e HWS SOL W6967 -79.347 -19.875 -21.533 1.00 0.00 H  
  
Duplicate atom serial number found: 23050  
Duplicate atom serial number found: 23052  
Duplicate atom serial number found: 23054  
Duplicate atom serial number found: 23056  
Duplicate atom serial number found: 23058  
Ignored bad PDB record found on line 81915  
ATOM 2305a HWS SOL W6969 83.395 -22.658 -37.032 1.00 0.00 H  
  
Ignored bad PDB record found on line 81916  
ATOM 2305c HWS SOL W6969 83.130 -22.427 -38.505 1.00 0.00 H  
  
Ignored bad PDB record found on line 81917  
ATOM 2305e OWS SOL W6970 -88.689 -5.519 -15.783 1.00 0.00 O  
  
Duplicate atom serial number found: 23060  
Duplicate atom serial number found: 23062  
Duplicate atom serial number found: 23064  
Duplicate atom serial number found: 23066  
Duplicate atom serial number found: 23068  
Ignored bad PDB record found on line 81923  
ATOM 2306a OWS SOL W6972 -80.572 -51.849 -18.505 1.00 0.00 O  
  
Ignored bad PDB record found on line 81924  
ATOM 2306c HWS SOL W6972 -80.758 -52.560 -17.891 1.00 0.00 H  
  
Ignored bad PDB record found on line 81925  
ATOM 2306e HWS SOL W6972 -81.326 -51.838 -19.095 1.00 0.00 H  
  
Duplicate atom serial number found: 23070  
Duplicate atom serial number found: 23072  
Duplicate atom serial number found: 23074  
Duplicate atom serial number found: 23076  
Duplicate atom serial number found: 23078  
Ignored bad PDB record found on line 81931  
ATOM 2307a HWS SOL W6974 -68.914 -12.216 -41.520 1.00 0.00 H  
  
Ignored bad PDB record found on line 81932  
ATOM 2307c OWS SOL W6975 -89.340 -13.555 -34.892 1.00 0.00 O  
  
Ignored bad PDB record found on line 81933  
ATOM 2307e HWS SOL W6975 -90.241 -13.234 -34.908 1.00 0.00 H  
  
Duplicate atom serial number found: 23080  
Duplicate atom serial number found: 23082  
Duplicate atom serial number found: 23084  
Duplicate atom serial number found: 23086  
Duplicate atom serial number found: 23088  
Ignored bad PDB record found on line 81939  
ATOM 2308a HWS SOL W6977 -84.975 -51.256 -20.267 1.00 0.00 H  
  
Ignored bad PDB record found on line 81940  
ATOM 2308c HWS SOL W6977 -86.429 -51.114 -20.665 1.00 0.00 H  
  
Ignored bad PDB record found on line 81941  
ATOM 2308e OWS SOL W6978 -56.777 -43.456 -32.108 1.00 0.00 O  
  
Duplicate atom serial number found: 23090  
Duplicate atom serial number found: 23092  
Duplicate atom serial number found: 23094  
Duplicate atom serial number found: 23096  
Duplicate atom serial number found: 23098  
Ignored bad PDB record found on line 81947  
ATOM 2309a OWS SOL W6980 -47.676 -11.962 -0.352 1.00 0.00 O  
  
Ignored bad PDB record found on line 81948  
ATOM 2309c HWS SOL W6980 -47.306 -12.839 -0.253 1.00 0.00 H  
  
Ignored bad PDB record found on line 81949  
ATOM 2309e HWS SOL W6980 -47.277 -11.621 -1.152 1.00 0.00 H  
  
Ignored bad PDB record found on line 81950  
ATOM 230a0 OWS SOL W6981 -84.927 -44.127 -36.003 1.00 0.00 O  
  
Ignored bad PDB record found on line 81951  
ATOM 230a2 HWS SOL W6981 -84.225 -43.756 -36.538 1.00 0.00 H  
  
46 messages similar to the above omitted  
Duplicate atom serial number found: 23100  
Duplicate atom serial number found: 23102  
Duplicate atom serial number found: 23104  
Duplicate atom serial number found: 23106  
Duplicate atom serial number found: 23108  
Ignored bad PDB record found on line 82003  
ATOM 2310a HWS SOL W6998 -81.803 -19.501 -27.783 1.00 0.00 H  
  
Ignored bad PDB record found on line 82004  
ATOM 2310c OWS SOL W6999 -70.347 -6.756 -35.972 1.00 0.00 O  
  
Ignored bad PDB record found on line 82005  
ATOM 2310e HWS SOL W6999 -69.683 -6.872 -35.293 1.00 0.00 H  
  
Duplicate atom serial number found: 23110  
Duplicate atom serial number found: 23112  
Duplicate atom serial number found: 23114  
Duplicate atom serial number found: 23116  
Duplicate atom serial number found: 23118  
Ignored bad PDB record found on line 82011  
ATOM 2311a HWS SOL W7001 -72.576 -14.208 -23.194 1.00 0.00 H  
  
Ignored bad PDB record found on line 82012  
ATOM 2311c HWS SOL W7001 -72.507 -13.951 -21.703 1.00 0.00 H  
  
Ignored bad PDB record found on line 82013  
ATOM 2311e OWS SOL W7002 -75.199 -32.712 -33.085 1.00 0.00 O  
  
Duplicate atom serial number found: 23120  
Duplicate atom serial number found: 23122  
Duplicate atom serial number found: 23124  
Duplicate atom serial number found: 23126  
Duplicate atom serial number found: 23128  
Ignored bad PDB record found on line 82019  
ATOM 2312a OWS SOL W7004 -84.868 -13.080 -13.092 1.00 0.00 O  
  
Ignored bad PDB record found on line 82020  
ATOM 2312c HWS SOL W7004 -84.090 -13.593 -12.873 1.00 0.00 H  
  
Ignored bad PDB record found on line 82021  
ATOM 2312e HWS SOL W7004 -84.776 -12.276 -12.581 1.00 0.00 H  
  
Duplicate atom serial number found: 23130  
Duplicate atom serial number found: 23132  
Duplicate atom serial number found: 23134  
Duplicate atom serial number found: 23136  
Duplicate atom serial number found: 23138  
Ignored bad PDB record found on line 82027  
ATOM 2313a HWS SOL W7006 -68.457 -44.084 -34.798 1.00 0.00 H  
  
Ignored bad PDB record found on line 82028  
ATOM 2313c OWS SOL W7007 -79.011 -58.420 -19.484 1.00 0.00 O  
  
Ignored bad PDB record found on line 82029  
ATOM 2313e HWS SOL W7007 -79.101 -59.356 -19.665 1.00 0.00 H  
  
Duplicate atom serial number found: 23140  
Duplicate atom serial number found: 23142  
Duplicate atom serial number found: 23144  
Duplicate atom serial number found: 23146  
Duplicate atom serial number found: 23148  
Ignored bad PDB record found on line 82035  
ATOM 2314a HWS SOL W7009 -74.462 -16.676 -33.157 1.00 0.00 H  
  
Ignored bad PDB record found on line 82036  
ATOM 2314c HWS SOL W7009 -75.923 -16.455 -33.491 1.00 0.00 H  
  
Ignored bad PDB record found on line 82037  
ATOM 2314e OWS SOL W7010 -77.132 -37.495 -49.850 1.00 0.00 O  
  
Duplicate atom serial number found: 23150  
Duplicate atom serial number found: 23152  
Duplicate atom serial number found: 23154  
Duplicate atom serial number found: 23156  
Duplicate atom serial number found: 23158  
Ignored bad PDB record found on line 82043  
ATOM 2315a OWS SOL W7012 -75.638 -61.724 -22.545 1.00 0.00 O  
  
Ignored bad PDB record found on line 82044  
ATOM 2315c HWS SOL W7012 -74.755 -61.675 -22.177 1.00 0.00 H  
  
Ignored bad PDB record found on line 82045  
ATOM 2315e HWS SOL W7012 -76.010 -60.855 -22.392 1.00 0.00 H  
  
Duplicate atom serial number found: 23160  
Duplicate atom serial number found: 23162  
Duplicate atom serial number found: 23164  
Duplicate atom serial number found: 23166  
Duplicate atom serial number found: 23168  
Ignored bad PDB record found on line 82051  
ATOM 2316a HWS SOL W7014 -74.917 -44.508 -15.829 1.00 0.00 H  
  
Ignored bad PDB record found on line 82052  
ATOM 2316c OWS SOL W7015 -85.810 -33.058 -21.432 1.00 0.00 O  
  
Ignored bad PDB record found on line 82053  
ATOM 2316e HWS SOL W7015 -85.644 -33.965 -21.177 1.00 0.00 H  
  
Duplicate atom serial number found: 23170  
Duplicate atom serial number found: 23172  
Duplicate atom serial number found: 23174  
Duplicate atom serial number found: 23176  
Duplicate atom serial number found: 23178  
Ignored bad PDB record found on line 82059  
ATOM 2317a HWS SOL W7017 -84.345 -53.512 -13.819 1.00 0.00 H  
  
Ignored bad PDB record found on line 82060  
ATOM 2317c HWS SOL W7017 -85.518 -54.449 -13.623 1.00 0.00 H  
  
Ignored bad PDB record found on line 82061  
ATOM 2317e OWS SOL W7018 88.504 -11.761 -40.095 1.00 0.00 O  
  
Duplicate atom serial number found: 23180  
Duplicate atom serial number found: 23182  
Duplicate atom serial number found: 23184  
Duplicate atom serial number found: 23186  
Duplicate atom serial number found: 23188  
Ignored bad PDB record found on line 82067  
ATOM 2318a OWS SOL W7020 -79.655 -34.287 -31.147 1.00 0.00 O  
  
Ignored bad PDB record found on line 82068  
ATOM 2318c HWS SOL W7020 -78.977 -34.736 -30.642 1.00 0.00 H  
  
Ignored bad PDB record found on line 82069  
ATOM 2318e HWS SOL W7020 -79.231 -34.070 -31.977 1.00 0.00 H  
  
Duplicate atom serial number found: 23190  
Duplicate atom serial number found: 23192  
Duplicate atom serial number found: 23194  
Duplicate atom serial number found: 23196  
Duplicate atom serial number found: 23198  
Ignored bad PDB record found on line 82075  
ATOM 2319a HWS SOL W7022 -80.925 -15.778 -22.595 1.00 0.00 H  
  
Ignored bad PDB record found on line 82076  
ATOM 2319c OWS SOL W7023 -86.217 -3.003 -35.473 1.00 0.00 O  
  
Ignored bad PDB record found on line 82077  
ATOM 2319e HWS SOL W7023 -86.987 -3.118 -34.916 1.00 0.00 H  
  
Ignored bad PDB record found on line 82078  
ATOM 231a0 HWS SOL W7023 -85.483 -2.951 -34.861 1.00 0.00 H  
  
Ignored bad PDB record found on line 82079  
ATOM 231a2 OWS SOL W7024 -72.281 -35.812 -32.722 1.00 0.00 O  
  
46 messages similar to the above omitted  
Duplicate atom serial number found: 23200  
Duplicate atom serial number found: 23202  
Duplicate atom serial number found: 23204  
Duplicate atom serial number found: 23206  
Duplicate atom serial number found: 23208  
Ignored bad PDB record found on line 82131  
ATOM 2320a HWS SOL W7041 -61.471 -46.419 -20.907 1.00 0.00 H  
  
Ignored bad PDB record found on line 82132  
ATOM 2320c HWS SOL W7041 -60.012 -46.758 -21.130 1.00 0.00 H  
  
Ignored bad PDB record found on line 82133  
ATOM 2320e OWS SOL W7042 -70.461 -34.452 -29.914 1.00 0.00 O  
  
Duplicate atom serial number found: 23210  
Duplicate atom serial number found: 23212  
Duplicate atom serial number found: 23214  
Duplicate atom serial number found: 23216  
Duplicate atom serial number found: 23218  
Ignored bad PDB record found on line 82139  
ATOM 2321a OWS SOL W7044 -82.571 -43.569 -21.278 1.00 0.00 O  
  
Ignored bad PDB record found on line 82140  
ATOM 2321c HWS SOL W7044 -82.768 -42.719 -21.670 1.00 0.00 H  
  
Ignored bad PDB record found on line 82141  
ATOM 2321e HWS SOL W7044 -81.992 -43.366 -20.543 1.00 0.00 H  
  
Duplicate atom serial number found: 23220  
Duplicate atom serial number found: 23222  
Duplicate atom serial number found: 23224  
Duplicate atom serial number found: 23226  
Duplicate atom serial number found: 23228  
Ignored bad PDB record found on line 82147  
ATOM 2322a HWS SOL W7046 -70.327 -41.555 -34.100 1.00 0.00 H  
  
Ignored bad PDB record found on line 82148  
ATOM 2322c OWS SOL W7047 -69.111 -31.922 -25.878 1.00 0.00 O  
  
Ignored bad PDB record found on line 82149  
ATOM 2322e HWS SOL W7047 -69.500 -32.598 -25.323 1.00 0.00 H  
  
Duplicate atom serial number found: 23230  
Duplicate atom serial number found: 23232  
Duplicate atom serial number found: 23234  
Duplicate atom serial number found: 23236  
Duplicate atom serial number found: 23238  
Ignored bad PDB record found on line 82155  
ATOM 2323a HWS SOL W7049 -88.706 -38.294 -17.754 1.00 0.00 H  
  
Ignored bad PDB record found on line 82156  
ATOM 2323c HWS SOL W7049 -88.432 -38.548 -19.221 1.00 0.00 H  
  
Ignored bad PDB record found on line 82157  
ATOM 2323e OWS SOL W7050 -74.852 -7.081 -41.731 1.00 0.00 O  
  
Duplicate atom serial number found: 23240  
Duplicate atom serial number found: 23242  
Duplicate atom serial number found: 23244  
Duplicate atom serial number found: 23246  
Duplicate atom serial number found: 23248  
Ignored bad PDB record found on line 82163  
ATOM 2324a OWS SOL W7053 -75.621 -18.588 -18.707 1.00 0.00 O  
  
Ignored bad PDB record found on line 82164  
ATOM 2324c HWS SOL W7053 -76.293 -18.429 -18.044 1.00 0.00 H  
  
Ignored bad PDB record found on line 82165  
ATOM 2324e HWS SOL W7053 -75.081 -17.798 -18.695 1.00 0.00 H  
  
Duplicate atom serial number found: 23250  
Duplicate atom serial number found: 23252  
Duplicate atom serial number found: 23254  
Duplicate atom serial number found: 23256  
Duplicate atom serial number found: 23258  
Ignored bad PDB record found on line 82171  
ATOM 2325a HWS SOL W7055 -83.758 -16.955 -45.224 1.00 0.00 H  
  
Ignored bad PDB record found on line 82172  
ATOM 2325c OWS SOL W7056 87.292 -35.420 -9.470 1.00 0.00 O  
  
Ignored bad PDB record found on line 82173  
ATOM 2325e HWS SOL W7056 87.761 -34.931 -8.793 1.00 0.00 H  
  
Duplicate atom serial number found: 23260  
Duplicate atom serial number found: 23262  
Duplicate atom serial number found: 23264  
Duplicate atom serial number found: 23266  
Duplicate atom serial number found: 23268  
Ignored bad PDB record found on line 82179  
ATOM 2326a HWS SOL W7058 -78.342 -47.125 -61.331 1.00 0.00 H  
  
Ignored bad PDB record found on line 82180  
ATOM 2326c HWS SOL W7058 -77.534 -46.603 -60.162 1.00 0.00 H  
  
Ignored bad PDB record found on line 82181  
ATOM 2326e OWS SOL W7059 -78.575 -23.984 -32.362 1.00 0.00 O  
  
Duplicate atom serial number found: 23270  
Duplicate atom serial number found: 23272  
Duplicate atom serial number found: 23274  
Duplicate atom serial number found: 23276  
Duplicate atom serial number found: 23278  
Ignored bad PDB record found on line 82187  
ATOM 2327a OWS SOL W7061 89.355 -14.989 -21.366 1.00 0.00 O  
  
Ignored bad PDB record found on line 82188  
ATOM 2327c HWS SOL W7061 90.224 -14.663 -21.134 1.00 0.00 H  
  
Ignored bad PDB record found on line 82189  
ATOM 2327e HWS SOL W7061 88.995 -15.320 -20.543 1.00 0.00 H  
  
Duplicate atom serial number found: 23280  
Duplicate atom serial number found: 23282  
Duplicate atom serial number found: 23284  
Duplicate atom serial number found: 23286  
Duplicate atom serial number found: 23288  
Ignored bad PDB record found on line 82195  
ATOM 2328a HWS SOL W7063 -83.331 -35.025 -14.140 1.00 0.00 H  
  
Ignored bad PDB record found on line 82196  
ATOM 2328c OWS SOL W7064 -72.718 -17.258 -29.436 1.00 0.00 O  
  
Ignored bad PDB record found on line 82197  
ATOM 2328e HWS SOL W7064 -72.504 -18.151 -29.166 1.00 0.00 H  
  
Duplicate atom serial number found: 23290  
Duplicate atom serial number found: 23292  
Duplicate atom serial number found: 23294  
Duplicate atom serial number found: 23296  
Duplicate atom serial number found: 23298  
Ignored bad PDB record found on line 82203  
ATOM 2329a HWS SOL W7066 -65.981 -39.630 -37.093 1.00 0.00 H  
  
Ignored bad PDB record found on line 82204  
ATOM 2329c HWS SOL W7066 -66.936 -40.773 -36.825 1.00 0.00 H  
  
Ignored bad PDB record found on line 82205  
ATOM 2329e OWS SOL W7067 -85.840 -12.065 -19.275 1.00 0.00 O  
  
Ignored bad PDB record found on line 82206  
ATOM 232a0 HWS SOL W7067 -86.255 -12.827 -18.871 1.00 0.00 H  
  
Ignored bad PDB record found on line 82207  
ATOM 232a2 HWS SOL W7067 -86.500 -11.723 -19.878 1.00 0.00 H  
  
46 messages similar to the above omitted  
Duplicate atom serial number found: 23300  
Duplicate atom serial number found: 23302  
Duplicate atom serial number found: 23304  
Duplicate atom serial number found: 23306  
Duplicate atom serial number found: 23308  
Ignored bad PDB record found on line 82259  
ATOM 2330a OWS SOL W7085 81.122 -15.009 -16.183 1.00 0.00 O  
  
Ignored bad PDB record found on line 82260  
ATOM 2330c HWS SOL W7085 80.323 -14.754 -16.644 1.00 0.00 H  
  
Ignored bad PDB record found on line 82261  
ATOM 2330e HWS SOL W7085 81.220 -14.353 -15.493 1.00 0.00 H  
  
Duplicate atom serial number found: 23310  
Duplicate atom serial number found: 23312  
Duplicate atom serial number found: 23314  
Duplicate atom serial number found: 23316  
Duplicate atom serial number found: 23318  
Ignored bad PDB record found on line 82267  
ATOM 2331a HWS SOL W7087 -82.837 -48.855 -30.241 1.00 0.00 H  
  
Ignored bad PDB record found on line 82268  
ATOM 2331c OWS SOL W7088 -72.879 -41.908 -18.778 1.00 0.00 O  
  
Ignored bad PDB record found on line 82269  
ATOM 2331e HWS SOL W7088 -72.235 -42.415 -18.283 1.00 0.00 H  
  
Duplicate atom serial number found: 23320  
Duplicate atom serial number found: 23322  
Duplicate atom serial number found: 23324  
Duplicate atom serial number found: 23326  
Duplicate atom serial number found: 23328  
Ignored bad PDB record found on line 82275  
ATOM 2332a HWS SOL W7090 -61.392 -39.052 -25.762 1.00 0.00 H  
  
Ignored bad PDB record found on line 82276  
ATOM 2332c HWS SOL W7090 -60.144 -38.257 -25.446 1.00 0.00 H  
  
Ignored bad PDB record found on line 82277  
ATOM 2332e OWS SOL W7091 -78.443 -22.449 -26.031 1.00 0.00 O  
  
Duplicate atom serial number found: 23330  
Duplicate atom serial number found: 23332  
Duplicate atom serial number found: 23334  
Duplicate atom serial number found: 23336  
Duplicate atom serial number found: 23338  
Ignored bad PDB record found on line 82283  
ATOM 2333a OWS SOL W7093 -84.379 4.099 -31.020 1.00 0.00 O  
  
Ignored bad PDB record found on line 82284  
ATOM 2333c HWS SOL W7093 -84.685 4.167 -31.924 1.00 0.00 H  
  
Ignored bad PDB record found on line 82285  
ATOM 2333e HWS SOL W7093 -85.092 3.657 -30.558 1.00 0.00 H  
  
Duplicate atom serial number found: 23340  
Duplicate atom serial number found: 23342  
Duplicate atom serial number found: 23344  
Duplicate atom serial number found: 23346  
Duplicate atom serial number found: 23348  
Ignored bad PDB record found on line 82291  
ATOM 2334a HWS SOL W7095 75.491 -32.175 -41.342 1.00 0.00 H  
  
Ignored bad PDB record found on line 82292  
ATOM 2334c OWS SOL W7096 -63.240 -34.189 -24.585 1.00 0.00 O  
  
Ignored bad PDB record found on line 82293  
ATOM 2334e HWS SOL W7096 -62.888 -35.041 -24.327 1.00 0.00 H  
  
Duplicate atom serial number found: 23350  
Duplicate atom serial number found: 23352  
Duplicate atom serial number found: 23354  
Duplicate atom serial number found: 23356  
Duplicate atom serial number found: 23358  
Ignored bad PDB record found on line 82299  
ATOM 2335a HWS SOL W7098 -89.047 -20.733 -29.375 1.00 0.00 H  
  
Ignored bad PDB record found on line 82300  
ATOM 2335c HWS SOL W7098 -89.977 -21.397 -28.381 1.00 0.00 H  
  
Ignored bad PDB record found on line 82301  
ATOM 2335e OWS SOL W7100 -75.025 -16.718 -22.201 1.00 0.00 O  
  
Duplicate atom serial number found: 23360  
Duplicate atom serial number found: 23362  
Duplicate atom serial number found: 23364  
Duplicate atom serial number found: 23366  
Duplicate atom serial number found: 23368  
Ignored bad PDB record found on line 82307  
ATOM 2336a OWS SOL W7102 -78.995 -24.270 -9.186 1.00 0.00 O  
  
Ignored bad PDB record found on line 82308  
ATOM 2336c HWS SOL W7102 -78.205 -24.339 -9.723 1.00 0.00 H  
  
Ignored bad PDB record found on line 82309  
ATOM 2336e HWS SOL W7102 -79.412 -23.459 -9.475 1.00 0.00 H  
  
Duplicate atom serial number found: 23370  
Duplicate atom serial number found: 23372  
Duplicate atom serial number found: 23374  
Duplicate atom serial number found: 23376  
Duplicate atom serial number found: 23378  
Ignored bad PDB record found on line 82315  
ATOM 2337a HWS SOL W7104 90.227 -14.256 -40.686 1.00 0.00 H  
  
Ignored bad PDB record found on line 82316  
ATOM 2337c OWS SOL W7105 89.565 -19.449 -41.211 1.00 0.00 O  
  
Ignored bad PDB record found on line 82317  
ATOM 2337e HWS SOL W7105 90.381 -19.661 -40.758 1.00 0.00 H  
  
Duplicate atom serial number found: 23380  
Duplicate atom serial number found: 23382  
Duplicate atom serial number found: 23384  
Duplicate atom serial number found: 23386  
Duplicate atom serial number found: 23388  
Ignored bad PDB record found on line 82323  
ATOM 2338a HWS SOL W7107 -54.779 -45.620 -31.927 1.00 0.00 H  
  
Ignored bad PDB record found on line 82324  
ATOM 2338c HWS SOL W7107 -56.084 -45.121 -32.509 1.00 0.00 H  
  
Ignored bad PDB record found on line 82325  
ATOM 2338e OWS SOL W7108 -68.881 -42.363 -34.594 1.00 0.00 O  
  
Duplicate atom serial number found: 23390  
Duplicate atom serial number found: 23392  
Duplicate atom serial number found: 23394  
Duplicate atom serial number found: 23396  
Duplicate atom serial number found: 23398  
Ignored bad PDB record found on line 82331  
ATOM 2339a OWS SOL W7110 -60.770 -16.094 -20.582 1.00 0.00 O  
  
Ignored bad PDB record found on line 82332  
ATOM 2339c HWS SOL W7110 -61.041 -15.847 -21.466 1.00 0.00 H  
  
Ignored bad PDB record found on line 82333  
ATOM 2339e HWS SOL W7110 -60.728 -15.265 -20.104 1.00 0.00 H  
  
Ignored bad PDB record found on line 82334  
ATOM 233a0 OWS SOL W7111 84.763 -9.638 -39.541 1.00 0.00 O  
  
Ignored bad PDB record found on line 82335  
ATOM 233a2 HWS SOL W7111 84.933 -10.136 -40.341 1.00 0.00 H  
  
46 messages similar to the above omitted  
Duplicate atom serial number found: 23400  
Duplicate atom serial number found: 23402  
Duplicate atom serial number found: 23404  
Duplicate atom serial number found: 23406  
Duplicate atom serial number found: 23408  
Ignored bad PDB record found on line 82387  
ATOM 2340a HWS SOL W7129 -66.581 -40.255 -26.675 1.00 0.00 H  
  
Ignored bad PDB record found on line 82388  
ATOM 2340c OWS SOL W7130 -52.182 -29.529 -20.139 1.00 0.00 O  
  
Ignored bad PDB record found on line 82389  
ATOM 2340e HWS SOL W7130 -52.136 -28.953 -19.376 1.00 0.00 H  
  
Duplicate atom serial number found: 23410  
Duplicate atom serial number found: 23412  
Duplicate atom serial number found: 23414  
Duplicate atom serial number found: 23416  
Duplicate atom serial number found: 23418  
Ignored bad PDB record found on line 82395  
ATOM 2341a HWS SOL W7132 -83.171 -16.963 -14.944 1.00 0.00 H  
  
Ignored bad PDB record found on line 82396  
ATOM 2341c HWS SOL W7132 -83.620 -17.096 -16.383 1.00 0.00 H  
  
Ignored bad PDB record found on line 82397  
ATOM 2341e OWS SOL W7133 -82.068 -38.362 -26.522 1.00 0.00 O  
  
Duplicate atom serial number found: 23420  
Duplicate atom serial number found: 23422  
Duplicate atom serial number found: 23424  
Duplicate atom serial number found: 23426  
Duplicate atom serial number found: 23428  
Ignored bad PDB record found on line 82403  
ATOM 2342a OWS SOL W7135 -88.522 -48.443 -31.549 1.00 0.00 O  
  
Ignored bad PDB record found on line 82404  
ATOM 2342c HWS SOL W7135 -89.270 -48.605 -30.975 1.00 0.00 H  
  
Ignored bad PDB record found on line 82405  
ATOM 2342e HWS SOL W7135 -87.780 -48.339 -30.954 1.00 0.00 H  
  
Duplicate atom serial number found: 23430  
Duplicate atom serial number found: 23432  
Duplicate atom serial number found: 23434  
Duplicate atom serial number found: 23436  
Duplicate atom serial number found: 23438  
Ignored bad PDB record found on line 82411  
ATOM 2343a HWS SOL W7137 -77.305 -36.476 -22.398 1.00 0.00 H  
  
Ignored bad PDB record found on line 82412  
ATOM 2343c OWS SOL W7138 -74.754 -26.902 -37.816 1.00 0.00 O  
  
Ignored bad PDB record found on line 82413  
ATOM 2343e HWS SOL W7138 -75.185 -26.460 -37.084 1.00 0.00 H  
  
Duplicate atom serial number found: 23440  
Duplicate atom serial number found: 23442  
Duplicate atom serial number found: 23444  
Duplicate atom serial number found: 23446  
Duplicate atom serial number found: 23448  
Ignored bad PDB record found on line 82419  
ATOM 2344a HWS SOL W7140 -58.902 -52.141 -39.872 1.00 0.00 H  
  
Ignored bad PDB record found on line 82420  
ATOM 2344c HWS SOL W7140 -60.262 -52.434 -40.470 1.00 0.00 H  
  
Ignored bad PDB record found on line 82421  
ATOM 2344e OWS SOL W7141 -77.403 -33.822 -21.611 1.00 0.00 O  
  
Duplicate atom serial number found: 23450  
Duplicate atom serial number found: 23452  
Duplicate atom serial number found: 23454  
Duplicate atom serial number found: 23456  
Duplicate atom serial number found: 23458  
Ignored bad PDB record found on line 82427  
ATOM 2345a OWS SOL W7143 -81.288 -36.106 -34.762 1.00 0.00 O  
  
Ignored bad PDB record found on line 82428  
ATOM 2345c HWS SOL W7143 -81.478 -35.496 -34.050 1.00 0.00 H  
  
Ignored bad PDB record found on line 82429  
ATOM 2345e HWS SOL W7143 -80.353 -36.296 -34.674 1.00 0.00 H  
  
Duplicate atom serial number found: 23460  
Duplicate atom serial number found: 23462  
Duplicate atom serial number found: 23464  
Duplicate atom serial number found: 23466  
Duplicate atom serial number found: 23468  
Ignored bad PDB record found on line 82435  
ATOM 2346a HWS SOL W7145 -51.840 -41.495 -24.263 1.00 0.00 H  
  
Ignored bad PDB record found on line 82436  
ATOM 2346c OWS SOL W7146 -73.528 -6.212 -16.104 1.00 0.00 O  
  
Ignored bad PDB record found on line 82437  
ATOM 2346e HWS SOL W7146 -74.362 -6.582 -16.395 1.00 0.00 H  
  
Duplicate atom serial number found: 23470  
Duplicate atom serial number found: 23472  
Duplicate atom serial number found: 23474  
Duplicate atom serial number found: 23476  
Duplicate atom serial number found: 23478  
Ignored bad PDB record found on line 82443  
ATOM 2347a HWS SOL W7148 84.333 -45.548 -28.484 1.00 0.00 H  
  
Ignored bad PDB record found on line 82444  
ATOM 2347c HWS SOL W7148 84.835 -45.883 -29.873 1.00 0.00 H  
  
Ignored bad PDB record found on line 82445  
ATOM 2347e OWS SOL W7149 -82.023 -44.876 -40.440 1.00 0.00 O  
  
Duplicate atom serial number found: 23480  
Duplicate atom serial number found: 23482  
Duplicate atom serial number found: 23484  
Duplicate atom serial number found: 23486  
Duplicate atom serial number found: 23488  
Ignored bad PDB record found on line 82451  
ATOM 2348a OWS SOL W7151 -60.863 -44.732 -45.114 1.00 0.00 O  
  
Ignored bad PDB record found on line 82452  
ATOM 2348c HWS SOL W7151 -60.288 -44.340 -44.456 1.00 0.00 H  
  
Ignored bad PDB record found on line 82453  
ATOM 2348e HWS SOL W7151 -61.715 -44.324 -44.961 1.00 0.00 H  
  
Duplicate atom serial number found: 23490  
Duplicate atom serial number found: 23492  
Duplicate atom serial number found: 23494  
Duplicate atom serial number found: 23496  
Duplicate atom serial number found: 23498  
Ignored bad PDB record found on line 82459  
ATOM 2349a HWS SOL W7153 -62.536 -37.355 -23.951 1.00 0.00 H  
  
Ignored bad PDB record found on line 82460  
ATOM 2349c OWS SOL W7154 -84.885 -28.083 -25.111 1.00 0.00 O  
  
Ignored bad PDB record found on line 82461  
ATOM 2349e HWS SOL W7154 -83.968 -28.183 -25.369 1.00 0.00 H  
  
Ignored bad PDB record found on line 82462  
ATOM 234a0 HWS SOL W7154 -84.952 -27.177 -24.810 1.00 0.00 H  
  
Ignored bad PDB record found on line 82463  
ATOM 234a2 OWS SOL W7155 -80.282 -9.117 -39.700 1.00 0.00 O  
  
46 messages similar to the above omitted  
Duplicate atom serial number found: 23500  
Duplicate atom serial number found: 23502  
Duplicate atom serial number found: 23504  
Duplicate atom serial number found: 23506  
Duplicate atom serial number found: 23508  
Ignored bad PDB record found on line 82515  
ATOM 2350a HWS SOL W7172 -86.893 -11.243 -47.591 1.00 0.00 H  
  
Ignored bad PDB record found on line 82516  
ATOM 2350c HWS SOL W7172 -86.449 -9.810 -47.798 1.00 0.00 H  
  
Ignored bad PDB record found on line 82517  
ATOM 2350e OWS SOL W7173 86.621 -10.630 -17.384 1.00 0.00 O  
  
Duplicate atom serial number found: 23510  
Duplicate atom serial number found: 23512  
Duplicate atom serial number found: 23514  
Duplicate atom serial number found: 23516  
Duplicate atom serial number found: 23518  
Ignored bad PDB record found on line 82523  
ATOM 2351a OWS SOL W7175 -71.215 -34.017 -21.945 1.00 0.00 O  
  
Ignored bad PDB record found on line 82524  
ATOM 2351c HWS SOL W7175 -71.377 -34.959 -21.904 1.00 0.00 H  
  
Ignored bad PDB record found on line 82525  
ATOM 2351e HWS SOL W7175 -71.613 -33.670 -21.147 1.00 0.00 H  
  
Duplicate atom serial number found: 23520  
Duplicate atom serial number found: 23522  
Duplicate atom serial number found: 23524  
Duplicate atom serial number found: 23526  
Duplicate atom serial number found: 23528  
Ignored bad PDB record found on line 82531  
ATOM 2352a HWS SOL W7177 -87.416 -13.405 -11.506 1.00 0.00 H  
  
Ignored bad PDB record found on line 82532  
ATOM 2352c OWS SOL W7178 -79.937 -11.035 -42.587 1.00 0.00 O  
  
Ignored bad PDB record found on line 82533  
ATOM 2352e HWS SOL W7178 -80.799 -10.637 -42.707 1.00 0.00 H  
  
Duplicate atom serial number found: 23530  
Duplicate atom serial number found: 23532  
Duplicate atom serial number found: 23534  
Duplicate atom serial number found: 23536  
Duplicate atom serial number found: 23538  
Ignored bad PDB record found on line 82539  
ATOM 2353a HWS SOL W7180 -59.170 -40.451 -25.472 1.00 0.00 H  
  
Ignored bad PDB record found on line 82540  
ATOM 2353c HWS SOL W7180 -59.038 -41.776 -24.752 1.00 0.00 H  
  
Ignored bad PDB record found on line 82541  
ATOM 2353e OWS SOL W7181 -76.076 -43.085 -17.570 1.00 0.00 O  
  
Duplicate atom serial number found: 23540  
Duplicate atom serial number found: 23542  
Duplicate atom serial number found: 23544  
Duplicate atom serial number found: 23546  
Duplicate atom serial number found: 23548  
Ignored bad PDB record found on line 82547  
ATOM 2354a OWS SOL W7183 -69.361 -39.055 -31.438 1.00 0.00 O  
  
Ignored bad PDB record found on line 82548  
ATOM 2354c HWS SOL W7183 -69.811 -39.643 -30.832 1.00 0.00 H  
  
Ignored bad PDB record found on line 82549  
ATOM 2354e HWS SOL W7183 -70.038 -38.785 -32.059 1.00 0.00 H  
  
Duplicate atom serial number found: 23550  
Duplicate atom serial number found: 23552  
Duplicate atom serial number found: 23554  
Duplicate atom serial number found: 23556  
Duplicate atom serial number found: 23558  
Ignored bad PDB record found on line 82555  
ATOM 2355a HWS SOL W7185 83.313 -22.050 -8.674 1.00 0.00 H  
  
Ignored bad PDB record found on line 82556  
ATOM 2355c OWS SOL W7186 -71.676 -12.790 -16.711 1.00 0.00 O  
  
Ignored bad PDB record found on line 82557  
ATOM 2355e HWS SOL W7186 -71.843 -13.722 -16.850 1.00 0.00 H  
  
Duplicate atom serial number found: 23560  
Duplicate atom serial number found: 23562  
Duplicate atom serial number found: 23564  
Duplicate atom serial number found: 23566  
Duplicate atom serial number found: 23568  
Ignored bad PDB record found on line 82563  
ATOM 2356a HWS SOL W7188 -84.689 -30.960 -50.911 1.00 0.00 H  
  
Ignored bad PDB record found on line 82564  
ATOM 2356c HWS SOL W7188 -85.455 -29.663 -50.768 1.00 0.00 H  
  
Ignored bad PDB record found on line 82565  
ATOM 2356e OWS SOL W7189 -81.646 -25.321 -35.709 1.00 0.00 O  
  
Duplicate atom serial number found: 23570  
Duplicate atom serial number found: 23572  
Duplicate atom serial number found: 23574  
Duplicate atom serial number found: 23576  
Duplicate atom serial number found: 23578  
Ignored bad PDB record found on line 82571  
ATOM 2357a OWS SOL W7191 -70.660 -37.693 -19.738 1.00 0.00 O  
  
Ignored bad PDB record found on line 82572  
ATOM 2357c HWS SOL W7191 -70.460 -38.247 -18.984 1.00 0.00 H  
  
Ignored bad PDB record found on line 82573  
ATOM 2357e HWS SOL W7191 -70.001 -37.000 -19.709 1.00 0.00 H  
  
Duplicate atom serial number found: 23580  
Duplicate atom serial number found: 23582  
Duplicate atom serial number found: 23584  
Duplicate atom serial number found: 23586  
Duplicate atom serial number found: 23588  
Ignored bad PDB record found on line 82579  
ATOM 2358a HWS SOL W7193 -47.260 -19.716 -20.594 1.00 0.00 H  
  
Ignored bad PDB record found on line 82580  
ATOM 2358c OWS SOL W7194 -87.749 -12.917 -47.681 1.00 0.00 O  
  
Ignored bad PDB record found on line 82581  
ATOM 2358e HWS SOL W7194 -87.702 -12.895 -46.725 1.00 0.00 H  
  
Duplicate atom serial number found: 23590  
Duplicate atom serial number found: 23592  
Duplicate atom serial number found: 23594  
Duplicate atom serial number found: 23596  
Duplicate atom serial number found: 23598  
Ignored bad PDB record found on line 82587  
ATOM 2359a HWS SOL W7196 -83.290 -10.545 -45.879 1.00 0.00 H  
  
Ignored bad PDB record found on line 82588  
ATOM 2359c HWS SOL W7196 -84.765 -10.435 -46.204 1.00 0.00 H  
  
Ignored bad PDB record found on line 82589  
ATOM 2359e OWS SOL W7197 -82.638 -42.539 -31.037 1.00 0.00 O  
  
Ignored bad PDB record found on line 82590  
ATOM 235a0 HWS SOL W7197 -83.540 -42.427 -31.336 1.00 0.00 H  
  
Ignored bad PDB record found on line 82591  
ATOM 235a2 HWS SOL W7197 -82.657 -43.335 -30.507 1.00 0.00 H  
  
46 messages similar to the above omitted  
Duplicate atom serial number found: 23600  
Duplicate atom serial number found: 23602  
Duplicate atom serial number found: 23604  
Duplicate atom serial number found: 23606  
Duplicate atom serial number found: 23608  
Ignored bad PDB record found on line 82643  
ATOM 2360a OWS SOL W7215 90.082 -30.618 -28.427 1.00 0.00 O  
  
Ignored bad PDB record found on line 82644  
ATOM 2360c HWS SOL W7215 89.422 -31.306 -28.514 1.00 0.00 H  
  
Ignored bad PDB record found on line 82645  
ATOM 2360e HWS SOL W7215 89.681 -29.974 -27.843 1.00 0.00 H  
  
Duplicate atom serial number found: 23610  
Duplicate atom serial number found: 23612  
Duplicate atom serial number found: 23614  
Duplicate atom serial number found: 23616  
Duplicate atom serial number found: 23618  
Ignored bad PDB record found on line 82651  
ATOM 2361a HWS SOL W7217 -68.496 -17.916 -24.739 1.00 0.00 H  
  
Ignored bad PDB record found on line 82652  
ATOM 2361c OWS SOL W7218 -84.945 -4.231 -45.772 1.00 0.00 O  
  
Ignored bad PDB record found on line 82653  
ATOM 2361e HWS SOL W7218 -85.681 -3.912 -45.250 1.00 0.00 H  
  
Duplicate atom serial number found: 23620  
Duplicate atom serial number found: 23622  
Duplicate atom serial number found: 23624  
Duplicate atom serial number found: 23626  
Duplicate atom serial number found: 23628  
Ignored bad PDB record found on line 82659  
ATOM 2362a HWS SOL W7220 -60.477 -41.983 -18.280 1.00 0.00 H  
  
Ignored bad PDB record found on line 82660  
ATOM 2362c HWS SOL W7220 -59.574 -40.945 -17.646 1.00 0.00 H  
  
Ignored bad PDB record found on line 82661  
ATOM 2362e OWS SOL W7221 -81.711 -35.740 -38.093 1.00 0.00 O  
  
Duplicate atom serial number found: 23630  
Duplicate atom serial number found: 23632  
Duplicate atom serial number found: 23634  
Duplicate atom serial number found: 23636  
Duplicate atom serial number found: 23638  
Ignored bad PDB record found on line 82667  
ATOM 2363a OWS SOL W7223 -71.430 -28.723 -5.344 1.00 0.00 O  
  
Ignored bad PDB record found on line 82668  
ATOM 2363c HWS SOL W7223 -70.600 -28.444 -5.730 1.00 0.00 H  
  
Ignored bad PDB record found on line 82669  
ATOM 2363e HWS SOL W7223 -71.875 -29.195 -6.047 1.00 0.00 H  
  
Duplicate atom serial number found: 23640  
Duplicate atom serial number found: 23642  
Duplicate atom serial number found: 23644  
Duplicate atom serial number found: 23646  
Duplicate atom serial number found: 23648  
Ignored bad PDB record found on line 82675  
ATOM 2364a HWS SOL W7225 -78.427 -14.046 -37.065 1.00 0.00 H  
  
Ignored bad PDB record found on line 82676  
ATOM 2364c OWS SOL W7226 78.372 -22.650 -6.806 1.00 0.00 O  
  
Ignored bad PDB record found on line 82677  
ATOM 2364e HWS SOL W7226 77.792 -22.863 -6.075 1.00 0.00 H  
  
Duplicate atom serial number found: 23650  
Duplicate atom serial number found: 23652  
Duplicate atom serial number found: 23654  
Duplicate atom serial number found: 23656  
Duplicate atom serial number found: 23658  
Ignored bad PDB record found on line 82683  
ATOM 2365a HWS SOL W7228 -73.030 -32.536 -27.800 1.00 0.00 H  
  
Ignored bad PDB record found on line 82684  
ATOM 2365c HWS SOL W7228 -74.030 -33.526 -27.240 1.00 0.00 H  
  
Ignored bad PDB record found on line 82685  
ATOM 2365e OWS SOL W7229 -50.046 -16.885 15.504 1.00 0.00 O  
  
Duplicate atom serial number found: 23660  
Duplicate atom serial number found: 23662  
Duplicate atom serial number found: 23664  
Duplicate atom serial number found: 23666  
Duplicate atom serial number found: 23668  
Ignored bad PDB record found on line 82691  
ATOM 2366a OWS SOL W7231 -69.975 -40.577 -6.122 1.00 0.00 O  
  
Ignored bad PDB record found on line 82692  
ATOM 2366c HWS SOL W7231 -70.080 -39.630 -6.035 1.00 0.00 H  
  
Ignored bad PDB record found on line 82693  
ATOM 2366e HWS SOL W7231 -69.622 -40.700 -7.003 1.00 0.00 H  
  
Duplicate atom serial number found: 23670  
Duplicate atom serial number found: 23672  
Duplicate atom serial number found: 23674  
Duplicate atom serial number found: 23676  
Duplicate atom serial number found: 23678  
Ignored bad PDB record found on line 82699  
ATOM 2367a HWS SOL W7233 87.073 -12.183 14.749 1.00 0.00 H  
  
Ignored bad PDB record found on line 82700  
ATOM 2367c OWS SOL W7234 78.968 -22.309 -9.274 1.00 0.00 O  
  
Ignored bad PDB record found on line 82701  
ATOM 2367e HWS SOL W7234 78.804 -22.401 -8.335 1.00 0.00 H  
  
Duplicate atom serial number found: 23680  
Duplicate atom serial number found: 23682  
Duplicate atom serial number found: 23684  
Duplicate atom serial number found: 23686  
Duplicate atom serial number found: 23688  
Ignored bad PDB record found on line 82707  
ATOM 2368a HWS SOL W7236 -78.285 -35.262 -10.232 1.00 0.00 H  
  
Ignored bad PDB record found on line 82708  
ATOM 2368c HWS SOL W7236 -77.774 -34.604 -8.967 1.00 0.00 H  
  
Ignored bad PDB record found on line 82709  
ATOM 2368e OWS SOL W7237 -74.756 -36.438 7.414 1.00 0.00 O  
  
Duplicate atom serial number found: 23690  
Duplicate atom serial number found: 23692  
Duplicate atom serial number found: 23694  
Duplicate atom serial number found: 23696  
Duplicate atom serial number found: 23698  
Ignored bad PDB record found on line 82715  
ATOM 2369a OWS SOL W7239 -78.872 -27.337 9.779 1.00 0.00 O  
  
Ignored bad PDB record found on line 82716  
ATOM 2369c HWS SOL W7239 -79.077 -26.669 9.125 1.00 0.00 H  
  
Ignored bad PDB record found on line 82717  
ATOM 2369e HWS SOL W7239 -78.028 -27.067 10.142 1.00 0.00 H  
  
Ignored bad PDB record found on line 82718  
ATOM 236a0 OWS SOL W7240 -62.864 -32.799 -8.757 1.00 0.00 O  
  
Ignored bad PDB record found on line 82719  
ATOM 236a2 HWS SOL W7240 -63.610 -32.229 -8.569 1.00 0.00 H  
  
46 messages similar to the above omitted  
Duplicate atom serial number found: 23700  
Duplicate atom serial number found: 23702  
Duplicate atom serial number found: 23704  
Duplicate atom serial number found: 23706  
Duplicate atom serial number found: 23708  
Ignored bad PDB record found on line 82771  
ATOM 2370a HWS SOL W7257 -84.674 -62.093 -19.215 1.00 0.00 H  
  
Ignored bad PDB record found on line 82772  
ATOM 2370c OWS SOL W7258 -77.015 -46.281 -23.932 1.00 0.00 O  
  
Ignored bad PDB record found on line 82773  
ATOM 2370e HWS SOL W7258 -76.112 -46.595 -23.977 1.00 0.00 H  
  
Duplicate atom serial number found: 23710  
Duplicate atom serial number found: 23712  
Duplicate atom serial number found: 23714  
Duplicate atom serial number found: 23716  
Duplicate atom serial number found: 23718  
Ignored bad PDB record found on line 82779  
ATOM 2371a HWS SOL W7260 -60.419 -30.272 -16.608 1.00 0.00 H  
  
Ignored bad PDB record found on line 82780  
ATOM 2371c HWS SOL W7260 -60.567 -31.180 -15.406 1.00 0.00 H  
  
Ignored bad PDB record found on line 82781  
ATOM 2371e OWS SOL W7261 -83.433 -23.946 -24.538 1.00 0.00 O  
  
Duplicate atom serial number found: 23720  
Duplicate atom serial number found: 23722  
Duplicate atom serial number found: 23724  
Duplicate atom serial number found: 23726  
Duplicate atom serial number found: 23728  
Ignored bad PDB record found on line 82787  
ATOM 2372a OWS SOL W7263 -58.019 -30.504 16.398 1.00 0.00 O  
  
Ignored bad PDB record found on line 82788  
ATOM 2372c HWS SOL W7263 -58.001 -29.547 16.363 1.00 0.00 H  
  
Ignored bad PDB record found on line 82789  
ATOM 2372e HWS SOL W7263 -57.097 -30.760 16.408 1.00 0.00 H  
  
Duplicate atom serial number found: 23730  
Duplicate atom serial number found: 23732  
Duplicate atom serial number found: 23734  
Duplicate atom serial number found: 23736  
Duplicate atom serial number found: 23738  
Ignored bad PDB record found on line 82795  
ATOM 2373a HWS SOL W7265 -66.964 -26.725 -6.707 1.00 0.00 H  
  
Ignored bad PDB record found on line 82796  
ATOM 2373c OWS SOL W7266 -80.902 -35.357 -21.144 1.00 0.00 O  
  
Ignored bad PDB record found on line 82797  
ATOM 2373e HWS SOL W7266 -80.735 -34.432 -21.327 1.00 0.00 H  
  
Duplicate atom serial number found: 23740  
Duplicate atom serial number found: 23742  
Duplicate atom serial number found: 23744  
Duplicate atom serial number found: 23746  
Duplicate atom serial number found: 23748  
Ignored bad PDB record found on line 82803  
ATOM 2374a HWS SOL W7268 -89.208 -8.602 18.616 1.00 0.00 H  
  
Ignored bad PDB record found on line 82804  
ATOM 2374c HWS SOL W7268 -87.730 -8.625 18.944 1.00 0.00 H  
  
Ignored bad PDB record found on line 82805  
ATOM 2374e OWS SOL W7269 -87.963 -45.431 -12.856 1.00 0.00 O  
  
Duplicate atom serial number found: 23750  
Duplicate atom serial number found: 23752  
Duplicate atom serial number found: 23754  
Duplicate atom serial number found: 23756  
Duplicate atom serial number found: 23758  
Ignored bad PDB record found on line 82811  
ATOM 2375a OWS SOL W7271 -80.607 -6.200 15.356 1.00 0.00 O  
  
Ignored bad PDB record found on line 82812  
ATOM 2375c HWS SOL W7271 -81.454 -6.069 14.928 1.00 0.00 H  
  
Ignored bad PDB record found on line 82813  
ATOM 2375e HWS SOL W7271 -80.415 -7.129 15.227 1.00 0.00 H  
  
Duplicate atom serial number found: 23760  
Duplicate atom serial number found: 23762  
Duplicate atom serial number found: 23764  
Duplicate atom serial number found: 23766  
Duplicate atom serial number found: 23768  
Ignored bad PDB record found on line 82819  
ATOM 2376a HWS SOL W7273 -55.946 -4.312 -10.194 1.00 0.00 H  
  
Ignored bad PDB record found on line 82820  
ATOM 2376c OWS SOL W7274 -64.367 -34.269 21.065 1.00 0.00 O  
  
Ignored bad PDB record found on line 82821  
ATOM 2376e HWS SOL W7274 -63.649 -33.871 20.572 1.00 0.00 H  
  
Duplicate atom serial number found: 23770  
Duplicate atom serial number found: 23772  
Duplicate atom serial number found: 23774  
Duplicate atom serial number found: 23776  
Duplicate atom serial number found: 23778  
Ignored bad PDB record found on line 82827  
ATOM 2377a HWS SOL W7276 -82.724 -46.381 -19.996 1.00 0.00 H  
  
Ignored bad PDB record found on line 82828  
ATOM 2377c HWS SOL W7276 -84.145 -45.877 -19.850 1.00 0.00 H  
  
Ignored bad PDB record found on line 82829  
ATOM 2377e OWS SOL W7277 -82.232 -21.589 -4.418 1.00 0.00 O  
  
Duplicate atom serial number found: 23780  
Duplicate atom serial number found: 23782  
Duplicate atom serial number found: 23784  
Duplicate atom serial number found: 23786  
Duplicate atom serial number found: 23788  
Ignored bad PDB record found on line 82835  
ATOM 2378a OWS SOL W7279 -74.567 -37.107 -18.152 1.00 0.00 O  
  
Ignored bad PDB record found on line 82836  
ATOM 2378c HWS SOL W7279 -75.462 -37.223 -17.833 1.00 0.00 H  
  
Ignored bad PDB record found on line 82837  
ATOM 2378e HWS SOL W7279 -74.168 -37.973 -18.067 1.00 0.00 H  
  
Duplicate atom serial number found: 23790  
Duplicate atom serial number found: 23792  
Duplicate atom serial number found: 23794  
Duplicate atom serial number found: 23796  
Duplicate atom serial number found: 23798  
Ignored bad PDB record found on line 82843  
ATOM 2379a HWS SOL W7281 -84.235 -38.780 -2.532 1.00 0.00 H  
  
Ignored bad PDB record found on line 82844  
ATOM 2379c OWS SOL W7282 -72.696 -25.669 9.780 1.00 0.00 O  
  
Ignored bad PDB record found on line 82845  
ATOM 2379e HWS SOL W7282 -72.516 -24.900 9.239 1.00 0.00 H  
  
Ignored bad PDB record found on line 82846  
ATOM 237a0 HWS SOL W7282 -73.651 -25.735 9.793 1.00 0.00 H  
  
Ignored bad PDB record found on line 82847  
ATOM 237a2 OWS SOL W7283 -70.838 -39.529 -11.075 1.00 0.00 O  
  
46 messages similar to the above omitted  
Duplicate atom serial number found: 23800  
Duplicate atom serial number found: 23802  
Duplicate atom serial number found: 23804  
Duplicate atom serial number found: 23806  
Duplicate atom serial number found: 23808  
Ignored bad PDB record found on line 82899  
ATOM 2380a HWS SOL W7300 -82.125 -9.458 5.218 1.00 0.00 H  
  
Ignored bad PDB record found on line 82900  
ATOM 2380c HWS SOL W7300 -81.741 -10.595 6.141 1.00 0.00 H  
  
Ignored bad PDB record found on line 82901  
ATOM 2380e OWS SOL W7301 -52.441 -12.847 -3.791 1.00 0.00 O  
  
Duplicate atom serial number found: 23810  
Duplicate atom serial number found: 23812  
Duplicate atom serial number found: 23814  
Duplicate atom serial number found: 23816  
Duplicate atom serial number found: 23818  
Ignored bad PDB record found on line 82907  
ATOM 2381a OWS SOL W7303 -66.818 -20.812 -17.305 1.00 0.00 O  
  
Ignored bad PDB record found on line 82908  
ATOM 2381c HWS SOL W7303 -66.792 -20.235 -16.542 1.00 0.00 H  
  
Ignored bad PDB record found on line 82909  
ATOM 2381e HWS SOL W7303 -67.684 -21.217 -17.271 1.00 0.00 H  
  
Duplicate atom serial number found: 23820  
Duplicate atom serial number found: 23822  
Duplicate atom serial number found: 23824  
Duplicate atom serial number found: 23826  
Duplicate atom serial number found: 23828  
Ignored bad PDB record found on line 82915  
ATOM 2382a HWS SOL W7305 -69.455 -7.830 -10.784 1.00 0.00 H  
  
Ignored bad PDB record found on line 82916  
ATOM 2382c OWS SOL W7306 -69.230 -40.402 -25.470 1.00 0.00 O  
  
Ignored bad PDB record found on line 82917  
ATOM 2382e HWS SOL W7306 -70.018 -40.915 -25.292 1.00 0.00 H  
  
Duplicate atom serial number found: 23830  
Duplicate atom serial number found: 23832  
Duplicate atom serial number found: 23834  
Duplicate atom serial number found: 23836  
Duplicate atom serial number found: 23838  
Ignored bad PDB record found on line 82923  
ATOM 2383a HWS SOL W7308 -74.141 -18.613 -15.220 1.00 0.00 H  
  
Ignored bad PDB record found on line 82924  
ATOM 2383c HWS SOL W7308 -74.007 -19.878 -16.042 1.00 0.00 H  
  
Ignored bad PDB record found on line 82925  
ATOM 2383e OWS SOL W7309 -88.725 -12.423 6.751 1.00 0.00 O  
  
Duplicate atom serial number found: 23840  
Duplicate atom serial number found: 23842  
Duplicate atom serial number found: 23844  
Duplicate atom serial number found: 23846  
Duplicate atom serial number found: 23848  
Ignored bad PDB record found on line 82931  
ATOM 2384a OWS SOL W7311 -47.080 -16.353 13.126 1.00 0.00 O  
  
Ignored bad PDB record found on line 82932  
ATOM 2384c HWS SOL W7311 -48.001 -16.276 12.880 1.00 0.00 H  
  
Ignored bad PDB record found on line 82933  
ATOM 2384e HWS SOL W7311 -46.936 -15.635 13.743 1.00 0.00 H  
  
Duplicate atom serial number found: 23850  
Duplicate atom serial number found: 23852  
Duplicate atom serial number found: 23854  
Duplicate atom serial number found: 23856  
Duplicate atom serial number found: 23858  
Ignored bad PDB record found on line 82939  
ATOM 2385a HWS SOL W7313 -73.481 -35.098 5.276 1.00 0.00 H  
  
Ignored bad PDB record found on line 82940  
ATOM 2385c OWS SOL W7314 -63.545 -35.670 -2.224 1.00 0.00 O  
  
Ignored bad PDB record found on line 82941  
ATOM 2385e HWS SOL W7314 -63.422 -35.111 -1.456 1.00 0.00 H  
  
Duplicate atom serial number found: 23860  
Duplicate atom serial number found: 23862  
Duplicate atom serial number found: 23864  
Duplicate atom serial number found: 23866  
Duplicate atom serial number found: 23868  
Ignored bad PDB record found on line 82947  
ATOM 2386a HWS SOL W7316 -83.326 -25.982 13.726 1.00 0.00 H  
  
Ignored bad PDB record found on line 82948  
ATOM 2386c HWS SOL W7316 -84.507 -26.709 13.118 1.00 0.00 H  
  
Ignored bad PDB record found on line 82949  
ATOM 2386e OWS SOL W7317 -79.265 -2.341 8.374 1.00 0.00 O  
  
Duplicate atom serial number found: 23870  
Duplicate atom serial number found: 23872  
Duplicate atom serial number found: 23874  
Duplicate atom serial number found: 23876  
Duplicate atom serial number found: 23878  
Ignored bad PDB record found on line 82955  
ATOM 2387a OWS SOL W7319 -70.989 -31.465 -3.680 1.00 0.00 O  
  
Ignored bad PDB record found on line 82956  
ATOM 2387c HWS SOL W7319 -71.832 -31.736 -3.315 1.00 0.00 H  
  
Ignored bad PDB record found on line 82957  
ATOM 2387e HWS SOL W7319 -71.150 -30.590 -4.033 1.00 0.00 H  
  
Duplicate atom serial number found: 23880  
Duplicate atom serial number found: 23882  
Duplicate atom serial number found: 23884  
Duplicate atom serial number found: 23886  
Duplicate atom serial number found: 23888  
Ignored bad PDB record found on line 82963  
ATOM 2388a HWS SOL W7321 -72.578 -33.032 9.498 1.00 0.00 H  
  
Ignored bad PDB record found on line 82964  
ATOM 2388c OWS SOL W7322 -67.459 -32.624 -8.384 1.00 0.00 O  
  
Ignored bad PDB record found on line 82965  
ATOM 2388e HWS SOL W7322 -67.450 -33.221 -9.132 1.00 0.00 H  
  
Duplicate atom serial number found: 23890  
Duplicate atom serial number found: 23892  
Duplicate atom serial number found: 23894  
Duplicate atom serial number found: 23896  
Duplicate atom serial number found: 23898  
Ignored bad PDB record found on line 82971  
ATOM 2389a HWS SOL W7324 -90.255 -36.291 -17.135 1.00 0.00 H  
  
Ignored bad PDB record found on line 82972  
ATOM 2389c HWS SOL W7324 -90.179 -36.969 -15.783 1.00 0.00 H  
  
Ignored bad PDB record found on line 82973  
ATOM 2389e OWS SOL W7325 -73.995 -21.761 -5.937 1.00 0.00 O  
  
Ignored bad PDB record found on line 82974  
ATOM 238a0 HWS SOL W7325 -73.154 -21.924 -5.509 1.00 0.00 H  
  
Ignored bad PDB record found on line 82975  
ATOM 238a2 HWS SOL W7325 -73.763 -21.434 -6.806 1.00 0.00 H  
  
46 messages similar to the above omitted  
Duplicate atom serial number found: 23900  
Duplicate atom serial number found: 23902  
Duplicate atom serial number found: 23904  
Duplicate atom serial number found: 23906  
Duplicate atom serial number found: 23908  
Ignored bad PDB record found on line 83027  
ATOM 2390a OWS SOL W7343 -84.835 -30.070 -2.469 1.00 0.00 O  
  
Ignored bad PDB record found on line 83028  
ATOM 2390c HWS SOL W7343 -85.202 -30.714 -3.074 1.00 0.00 H  
  
Ignored bad PDB record found on line 83029  
ATOM 2390e HWS SOL W7343 -84.759 -30.537 -1.637 1.00 0.00 H  
  
Duplicate atom serial number found: 23910  
Duplicate atom serial number found: 23912  
Duplicate atom serial number found: 23914  
Duplicate atom serial number found: 23916  
Duplicate atom serial number found: 23918  
Ignored bad PDB record found on line 83035  
ATOM 2391a HWS SOL W7345 73.138 -26.652 11.015 1.00 0.00 H  
  
Ignored bad PDB record found on line 83036  
ATOM 2391c OWS SOL W7346 -85.244 -52.297 18.535 1.00 0.00 O  
  
Ignored bad PDB record found on line 83037  
ATOM 2391e HWS SOL W7346 -86.008 -52.847 18.363 1.00 0.00 H  
  
Duplicate atom serial number found: 23920  
Duplicate atom serial number found: 23922  
Duplicate atom serial number found: 23924  
Duplicate atom serial number found: 23926  
Duplicate atom serial number found: 23928  
Ignored bad PDB record found on line 83043  
ATOM 2392a HWS SOL W7348 -68.965 -20.702 22.169 1.00 0.00 H  
  
Ignored bad PDB record found on line 83044  
ATOM 2392c HWS SOL W7348 -69.888 -20.457 23.343 1.00 0.00 H  
  
Ignored bad PDB record found on line 83045  
ATOM 2392e OWS SOL W7349 -87.396 -33.202 -13.550 1.00 0.00 O  
  
Duplicate atom serial number found: 23930  
Duplicate atom serial number found: 23932  
Duplicate atom serial number found: 23934  
Duplicate atom serial number found: 23936  
Duplicate atom serial number found: 23938  
Ignored bad PDB record found on line 83051  
ATOM 2393a OWS SOL W7351 -88.984 -26.534 -12.321 1.00 0.00 O  
  
Ignored bad PDB record found on line 83052  
ATOM 2393c HWS SOL W7351 -89.234 -27.064 -13.077 1.00 0.00 H  
  
Ignored bad PDB record found on line 83053  
ATOM 2393e HWS SOL W7351 -89.652 -25.850 -12.276 1.00 0.00 H  
  
Duplicate atom serial number found: 23940  
Duplicate atom serial number found: 23942  
Duplicate atom serial number found: 23944  
Duplicate atom serial number found: 23946  
Duplicate atom serial number found: 23948  
Ignored bad PDB record found on line 83059  
ATOM 2394a HWS SOL W7353 -76.300 -25.637 -6.192 1.00 0.00 H  
  
Ignored bad PDB record found on line 83060  
ATOM 2394c OWS SOL W7354 -70.556 -36.389 -11.898 1.00 0.00 O  
  
Ignored bad PDB record found on line 83061  
ATOM 2394e HWS SOL W7354 -69.795 -36.800 -12.306 1.00 0.00 H  
  
Duplicate atom serial number found: 23950  
Duplicate atom serial number found: 23952  
Duplicate atom serial number found: 23954  
Duplicate atom serial number found: 23956  
Duplicate atom serial number found: 23958  
Ignored bad PDB record found on line 83067  
ATOM 2395a HWS SOL W7356 -79.420 -25.171 -5.929 1.00 0.00 H  
  
Ignored bad PDB record found on line 83068  
ATOM 2395c HWS SOL W7356 -78.871 -24.478 -7.158 1.00 0.00 H  
  
Ignored bad PDB record found on line 83069  
ATOM 2395e OWS SOL W7357 -89.723 -29.483 9.126 1.00 0.00 O  
  
Duplicate atom serial number found: 23960  
Duplicate atom serial number found: 23962  
Duplicate atom serial number found: 23964  
Duplicate atom serial number found: 23966  
Duplicate atom serial number found: 23968  
Ignored bad PDB record found on line 83075  
ATOM 2396a OWS SOL W7359 -75.632 -15.539 -2.240 1.00 0.00 O  
  
Ignored bad PDB record found on line 83076  
ATOM 2396c HWS SOL W7359 -76.171 -14.868 -1.821 1.00 0.00 H  
  
Ignored bad PDB record found on line 83077  
ATOM 2396e HWS SOL W7359 -74.753 -15.162 -2.262 1.00 0.00 H  
  
Duplicate atom serial number found: 23970  
Duplicate atom serial number found: 23972  
Duplicate atom serial number found: 23974  
Duplicate atom serial number found: 23976  
Duplicate atom serial number found: 23978  
Ignored bad PDB record found on line 83083  
ATOM 2397a HWS SOL W7361 -86.798 -28.779 -0.870 1.00 0.00 H  
  
Ignored bad PDB record found on line 83084  
ATOM 2397c OWS SOL W7362 83.299 -1.150 -3.527 1.00 0.00 O  
  
Ignored bad PDB record found on line 83085  
ATOM 2397e HWS SOL W7362 82.559 -1.559 -3.975 1.00 0.00 H  
  
Duplicate atom serial number found: 23980  
Duplicate atom serial number found: 23982  
Duplicate atom serial number found: 23984  
Duplicate atom serial number found: 23986  
Duplicate atom serial number found: 23988  
Ignored bad PDB record found on line 83091  
ATOM 2398a HWS SOL W7364 -55.150 -28.364 -13.924 1.00 0.00 H  
  
Ignored bad PDB record found on line 83092  
ATOM 2398c HWS SOL W7364 -54.886 -29.334 -15.055 1.00 0.00 H  
  
Ignored bad PDB record found on line 83093  
ATOM 2398e OWS SOL W7365 -85.566 -16.533 -17.570 1.00 0.00 O  
  
Duplicate atom serial number found: 23990  
Duplicate atom serial number found: 23992  
Duplicate atom serial number found: 23994  
Duplicate atom serial number found: 23996  
Duplicate atom serial number found: 23998  
Ignored bad PDB record found on line 83099  
ATOM 2399a OWS SOL W7367 -82.155 -21.508 19.628 1.00 0.00 O  
  
Ignored bad PDB record found on line 83100  
ATOM 2399c HWS SOL W7367 -82.888 -22.114 19.733 1.00 0.00 H  
  
Ignored bad PDB record found on line 83101  
ATOM 2399e HWS SOL W7367 -82.271 -21.141 18.752 1.00 0.00 H  
  
Ignored bad PDB record found on line 83102  
ATOM 239a0 OWS SOL W7368 -81.474 -15.618 -0.495 1.00 0.00 O  
  
Ignored bad PDB record found on line 83103  
ATOM 239a2 HWS SOL W7368 -80.784 -16.258 -0.671 1.00 0.00 H  
  
814 messages similar to the above omitted  
Duplicate atom serial number found: 24000  
Duplicate atom serial number found: 24002  
Duplicate atom serial number found: 24004  
Duplicate atom serial number found: 24006  
Duplicate atom serial number found: 24008  
Ignored bad PDB record found on line 83923  
ATOM 2400a HWS SOL W7642 83.840 -40.193 16.813 1.00 0.00 H  
  
Ignored bad PDB record found on line 83924  
ATOM 2400c OWS SOL W7643 -65.206 -24.315 5.229 1.00 0.00 O  
  
Ignored bad PDB record found on line 83925  
ATOM 2400e HWS SOL W7643 -66.023 -24.469 5.703 1.00 0.00 H  
  
Duplicate atom serial number found: 24010  
Duplicate atom serial number found: 24012  
Duplicate atom serial number found: 24014  
Duplicate atom serial number found: 24016  
Duplicate atom serial number found: 24018  
Ignored bad PDB record found on line 83931  
ATOM 2401a HWS SOL W7645 -65.805 -36.786 -23.227 1.00 0.00 H  
  
Ignored bad PDB record found on line 83932  
ATOM 2401c HWS SOL W7645 -64.685 -36.109 -22.466 1.00 0.00 H  
  
Ignored bad PDB record found on line 83933  
ATOM 2401e OWS SOL W7646 -58.330 -24.335 -2.524 1.00 0.00 O  
  
Duplicate atom serial number found: 24020  
Duplicate atom serial number found: 24022  
Duplicate atom serial number found: 24024  
Duplicate atom serial number found: 24026  
Duplicate atom serial number found: 24028  
Ignored bad PDB record found on line 83939  
ATOM 2402a OWS SOL W7648 -70.630 -24.968 -5.446 1.00 0.00 O  
  
Ignored bad PDB record found on line 83940  
ATOM 2402c HWS SOL W7648 -70.115 -24.320 -5.927 1.00 0.00 H  
  
Ignored bad PDB record found on line 83941  
ATOM 2402e HWS SOL W7648 -70.034 -25.706 -5.323 1.00 0.00 H  
  
Duplicate atom serial number found: 24030  
Duplicate atom serial number found: 24032  
Duplicate atom serial number found: 24034  
Duplicate atom serial number found: 24036  
Duplicate atom serial number found: 24038  
Ignored bad PDB record found on line 83947  
ATOM 2403a HWS SOL W7650 83.961 -6.282 3.897 1.00 0.00 H  
  
Ignored bad PDB record found on line 83948  
ATOM 2403c OWS SOL W7651 -58.478 -41.119 -16.376 1.00 0.00 O  
  
Ignored bad PDB record found on line 83949  
ATOM 2403e HWS SOL W7651 -57.665 -41.144 -15.871 1.00 0.00 H  
  
Duplicate atom serial number found: 24040  
Duplicate atom serial number found: 24042  
Duplicate atom serial number found: 24044  
Duplicate atom serial number found: 24046  
Duplicate atom serial number found: 24048  
Ignored bad PDB record found on line 83955  
ATOM 2404a HWS SOL W7653 -79.555 -6.477 3.853 1.00 0.00 H  
  
Ignored bad PDB record found on line 83956  
ATOM 2404c HWS SOL W7653 -80.927 -7.114 3.789 1.00 0.00 H  
  
Ignored bad PDB record found on line 83957  
ATOM 2404e OWS SOL W7654 -68.071 -48.787 14.067 1.00 0.00 O  
  
Duplicate atom serial number found: 24050  
Duplicate atom serial number found: 24052  
Duplicate atom serial number found: 24054  
Duplicate atom serial number found: 24056  
Duplicate atom serial number found: 24058  
Ignored bad PDB record found on line 83963  
ATOM 2405a OWS SOL W7656 -58.799 -12.914 14.221 1.00 0.00 O  
  
Ignored bad PDB record found on line 83964  
ATOM 2405c HWS SOL W7656 -58.194 -12.266 14.581 1.00 0.00 H  
  
Ignored bad PDB record found on line 83965  
ATOM 2405e HWS SOL W7656 -59.353 -13.162 14.961 1.00 0.00 H  
  
Duplicate atom serial number found: 24060  
Duplicate atom serial number found: 24062  
Duplicate atom serial number found: 24064  
Duplicate atom serial number found: 24066  
Duplicate atom serial number found: 24068  
Ignored bad PDB record found on line 83971  
ATOM 2406a HWS SOL W7658 -70.395 -38.799 -14.074 1.00 0.00 H  
  
Ignored bad PDB record found on line 83972  
ATOM 2406c OWS SOL W7659 -84.158 -30.023 -8.251 1.00 0.00 O  
  
Ignored bad PDB record found on line 83973  
ATOM 2406e HWS SOL W7659 -83.968 -30.801 -8.776 1.00 0.00 H  
  
Duplicate atom serial number found: 24070  
Duplicate atom serial number found: 24072  
Duplicate atom serial number found: 24074  
Duplicate atom serial number found: 24076  
Duplicate atom serial number found: 24078  
Ignored bad PDB record found on line 83979  
ATOM 2407a HWS SOL W7661 -71.538 -33.914 13.793 1.00 0.00 H  
  
Ignored bad PDB record found on line 83980  
ATOM 2407c HWS SOL W7661 -72.395 -32.913 13.046 1.00 0.00 H  
  
Ignored bad PDB record found on line 83981  
ATOM 2407e OWS SOL W7662 -69.531 -42.820 0.070 1.00 0.00 O  
  
Duplicate atom serial number found: 24080  
Duplicate atom serial number found: 24082  
Duplicate atom serial number found: 24084  
Duplicate atom serial number found: 24086  
Duplicate atom serial number found: 24088  
Ignored bad PDB record found on line 83987  
ATOM 2408a OWS SOL W7664 -81.174 -22.327 4.850 1.00 0.00 O  
  
Ignored bad PDB record found on line 83988  
ATOM 2408c HWS SOL W7664 -81.398 -21.981 3.986 1.00 0.00 H  
  
Ignored bad PDB record found on line 83989  
ATOM 2408e HWS SOL W7664 -81.830 -21.950 5.437 1.00 0.00 H  
  
Duplicate atom serial number found: 24090  
Duplicate atom serial number found: 24092  
Duplicate atom serial number found: 24094  
Duplicate atom serial number found: 24096  
Duplicate atom serial number found: 24098  
Ignored bad PDB record found on line 83995  
ATOM 2409a HWS SOL W7666 81.864 -5.756 10.642 1.00 0.00 H  
  
Ignored bad PDB record found on line 83996  
ATOM 2409c OWS SOL W7667 88.731 -7.306 12.304 1.00 0.00 O  
  
Ignored bad PDB record found on line 83997  
ATOM 2409e HWS SOL W7667 88.919 -8.193 12.611 1.00 0.00 H  
  
Ignored bad PDB record found on line 83998  
ATOM 240a0 HWS SOL W7667 88.428 -7.422 11.404 1.00 0.00 H  
  
Ignored bad PDB record found on line 83999  
ATOM 240a2 OWS SOL W7668 -72.994 -47.930 -15.765 1.00 0.00 O  
  
46 messages similar to the above omitted  
Duplicate atom serial number found: 24100  
Duplicate atom serial number found: 24102  
Duplicate atom serial number found: 24104  
Duplicate atom serial number found: 24106  
Duplicate atom serial number found: 24108  
Ignored bad PDB record found on line 84051  
ATOM 2410a HWS SOL W7685 -68.498 -54.428 -16.642 1.00 0.00 H  
  
Ignored bad PDB record found on line 84052  
ATOM 2410c HWS SOL W7685 -69.457 -55.023 -17.652 1.00 0.00 H  
  
Ignored bad PDB record found on line 84053  
ATOM 2410e OWS SOL W7686 -88.503 -21.671 10.722 1.00 0.00 O  
  
Duplicate atom serial number found: 24110  
Duplicate atom serial number found: 24112  
Duplicate atom serial number found: 24114  
Duplicate atom serial number found: 24116  
Duplicate atom serial number found: 24118  
Ignored bad PDB record found on line 84059  
ATOM 2411a OWS SOL W7688 -76.336 -32.924 -1.916 1.00 0.00 O  
  
Ignored bad PDB record found on line 84060  
ATOM 2411c HWS SOL W7688 -76.521 -33.700 -1.388 1.00 0.00 H  
  
Ignored bad PDB record found on line 84061  
ATOM 2411e HWS SOL W7688 -75.764 -32.390 -1.365 1.00 0.00 H  
  
Duplicate atom serial number found: 24120  
Duplicate atom serial number found: 24122  
Duplicate atom serial number found: 24124  
Duplicate atom serial number found: 24126  
Duplicate atom serial number found: 24128  
Ignored bad PDB record found on line 84067  
ATOM 2412a HWS SOL W7690 87.402 -31.282 12.526 1.00 0.00 H  
  
Ignored bad PDB record found on line 84068  
ATOM 2412c OWS SOL W7691 -84.471 -9.788 -29.061 1.00 0.00 O  
  
Ignored bad PDB record found on line 84069  
ATOM 2412e HWS SOL W7691 -84.631 -9.112 -28.402 1.00 0.00 H  
  
Duplicate atom serial number found: 24130  
Duplicate atom serial number found: 24132  
Duplicate atom serial number found: 24134  
Duplicate atom serial number found: 24136  
Duplicate atom serial number found: 24138  
Ignored bad PDB record found on line 84075  
ATOM 2413a HWS SOL W7693 -83.607 -48.689 -12.134 1.00 0.00 H  
  
Ignored bad PDB record found on line 84076  
ATOM 2413c HWS SOL W7693 -82.119 -48.458 -12.291 1.00 0.00 H  
  
Ignored bad PDB record found on line 84077  
ATOM 2413e OWS SOL W7694 -88.584 -22.699 -12.613 1.00 0.00 O  
  
Duplicate atom serial number found: 24140  
Duplicate atom serial number found: 24142  
Duplicate atom serial number found: 24144  
Duplicate atom serial number found: 24146  
Duplicate atom serial number found: 24148  
Ignored bad PDB record found on line 84083  
ATOM 2414a OWS SOL W7696 89.135 -32.125 -19.141 1.00 0.00 O  
  
Ignored bad PDB record found on line 84084  
ATOM 2414c HWS SOL W7696 88.751 -31.897 -19.987 1.00 0.00 H  
  
Ignored bad PDB record found on line 84085  
ATOM 2414e HWS SOL W7696 88.506 -32.729 -18.747 1.00 0.00 H  
  
Duplicate atom serial number found: 24150  
Duplicate atom serial number found: 24152  
Duplicate atom serial number found: 24154  
Duplicate atom serial number found: 24156  
Duplicate atom serial number found: 24158  
Ignored bad PDB record found on line 84091  
ATOM 2415a HWS SOL W7698 -78.416 -15.624 14.847 1.00 0.00 H  
  
Ignored bad PDB record found on line 84092  
ATOM 2415c OWS SOL W7699 -66.899 -19.058 14.901 1.00 0.00 O  
  
Ignored bad PDB record found on line 84093  
ATOM 2415e HWS SOL W7699 -66.120 -19.407 15.334 1.00 0.00 H  
  
Duplicate atom serial number found: 24160  
Duplicate atom serial number found: 24162  
Duplicate atom serial number found: 24164  
Duplicate atom serial number found: 24166  
Duplicate atom serial number found: 24168  
Ignored bad PDB record found on line 84099  
ATOM 2416a HWS SOL W7701 -75.216 -38.157 11.904 1.00 0.00 H  
  
Ignored bad PDB record found on line 84100  
ATOM 2416c HWS SOL W7701 -75.299 -37.643 13.325 1.00 0.00 H  
  
Ignored bad PDB record found on line 84101  
ATOM 2416e OWS SOL W7702 85.732 -0.520 32.593 1.00 0.00 O  
  
Duplicate atom serial number found: 24170  
Duplicate atom serial number found: 24172  
Duplicate atom serial number found: 24174  
Duplicate atom serial number found: 24176  
Duplicate atom serial number found: 24178  
Ignored bad PDB record found on line 84107  
ATOM 2417a OWS SOL W7704 81.161 -56.509 -17.421 1.00 0.00 O  
  
Ignored bad PDB record found on line 84108  
ATOM 2417c HWS SOL W7704 81.036 -57.195 -16.766 1.00 0.00 H  
  
Ignored bad PDB record found on line 84109  
ATOM 2417e HWS SOL W7704 81.200 -56.977 -18.255 1.00 0.00 H  
  
Duplicate atom serial number found: 24180  
Duplicate atom serial number found: 24182  
Duplicate atom serial number found: 24184  
Duplicate atom serial number found: 24186  
Duplicate atom serial number found: 24188  
Ignored bad PDB record found on line 84115  
ATOM 2418a HWS SOL W7706 -55.723 -18.501 -0.261 1.00 0.00 H  
  
Ignored bad PDB record found on line 84116  
ATOM 2418c OWS SOL W7707 -72.039 -28.447 -10.622 1.00 0.00 O  
  
Ignored bad PDB record found on line 84117  
ATOM 2418e HWS SOL W7707 -72.899 -28.722 -10.305 1.00 0.00 H  
  
Duplicate atom serial number found: 24190  
Duplicate atom serial number found: 24192  
Duplicate atom serial number found: 24194  
Duplicate atom serial number found: 24196  
Duplicate atom serial number found: 24198  
Ignored bad PDB record found on line 84123  
ATOM 2419a HWS SOL W7709 88.178 -18.045 -22.409 1.00 0.00 H  
  
Ignored bad PDB record found on line 84124  
ATOM 2419c HWS SOL W7709 88.869 -16.698 -22.394 1.00 0.00 H  
  
Ignored bad PDB record found on line 84125  
ATOM 2419e OWS SOL W7710 -86.519 -18.978 6.853 1.00 0.00 O  
  
Ignored bad PDB record found on line 84126  
ATOM 241a0 HWS SOL W7710 -87.084 -19.042 7.623 1.00 0.00 H  
  
Ignored bad PDB record found on line 84127  
ATOM 241a2 HWS SOL W7710 -86.059 -18.145 6.961 1.00 0.00 H  
  
46 messages similar to the above omitted  
Duplicate atom serial number found: 24200  
Duplicate atom serial number found: 24202  
Duplicate atom serial number found: 24204  
Duplicate atom serial number found: 24206  
Duplicate atom serial number found: 24208  
Ignored bad PDB record found on line 84179  
ATOM 2420a OWS SOL W7728 -56.912 -37.777 -10.473 1.00 0.00 O  
  
Ignored bad PDB record found on line 84180  
ATOM 2420c HWS SOL W7728 -57.814 -37.492 -10.622 1.00 0.00 H  
  
Ignored bad PDB record found on line 84181  
ATOM 2420e HWS SOL W7728 -56.388 -36.985 -10.589 1.00 0.00 H  
  
Duplicate atom serial number found: 24210  
Duplicate atom serial number found: 24212  
Duplicate atom serial number found: 24214  
Duplicate atom serial number found: 24216  
Duplicate atom serial number found: 24218  
Ignored bad PDB record found on line 84187  
ATOM 2421a HWS SOL W7730 -75.053 -0.291 -28.526 1.00 0.00 H  
  
Ignored bad PDB record found on line 84188  
ATOM 2421c OWS SOL W7731 80.308 -24.745 -8.007 1.00 0.00 O  
  
Ignored bad PDB record found on line 84189  
ATOM 2421e HWS SOL W7731 79.731 -24.233 -8.573 1.00 0.00 H  
  
Duplicate atom serial number found: 24220  
Duplicate atom serial number found: 24222  
Duplicate atom serial number found: 24224  
Duplicate atom serial number found: 24226  
Duplicate atom serial number found: 24228  
Ignored bad PDB record found on line 84195  
ATOM 2422a HWS SOL W7733 -87.893 -42.341 -25.867 1.00 0.00 H  
  
Ignored bad PDB record found on line 84196  
ATOM 2422c HWS SOL W7733 -87.168 -43.314 -24.961 1.00 0.00 H  
  
Ignored bad PDB record found on line 84197  
ATOM 2422e OWS SOL W7734 -69.756 -41.068 -3.421 1.00 0.00 O  
  
Duplicate atom serial number found: 24230  
Duplicate atom serial number found: 24232  
Duplicate atom serial number found: 24234  
Duplicate atom serial number found: 24236  
Duplicate atom serial number found: 24238  
Ignored bad PDB record found on line 84203  
ATOM 2423a OWS SOL W7736 -55.906 -6.088 9.577 1.00 0.00 O  
  
Ignored bad PDB record found on line 84204  
ATOM 2423c HWS SOL W7736 -55.502 -6.272 8.729 1.00 0.00 H  
  
Ignored bad PDB record found on line 84205  
ATOM 2423e HWS SOL W7736 -55.350 -6.540 10.212 1.00 0.00 H  
  
Duplicate atom serial number found: 24240  
Duplicate atom serial number found: 24242  
Duplicate atom serial number found: 24244  
Duplicate atom serial number found: 24246  
Duplicate atom serial number found: 24248  
Ignored bad PDB record found on line 84211  
ATOM 2424a HWS SOL W7738 -89.196 -28.313 -7.769 1.00 0.00 H  
  
Ignored bad PDB record found on line 84212  
ATOM 2424c OWS SOL W7739 -71.800 -8.982 4.358 1.00 0.00 O  
  
Ignored bad PDB record found on line 84213  
ATOM 2424e HWS SOL W7739 -70.935 -8.596 4.220 1.00 0.00 H  
  
Duplicate atom serial number found: 24250  
Duplicate atom serial number found: 24252  
Duplicate atom serial number found: 24254  
Duplicate atom serial number found: 24256  
Duplicate atom serial number found: 24258  
Ignored bad PDB record found on line 84219  
ATOM 2425a HWS SOL W7741 -77.946 -15.640 21.129 1.00 0.00 H  
  
Ignored bad PDB record found on line 84220  
ATOM 2425c HWS SOL W7741 -79.096 -14.716 20.786 1.00 0.00 H  
  
Ignored bad PDB record found on line 84221  
ATOM 2425e OWS SOL W7742 -72.736 -28.270 6.894 1.00 0.00 O  
  
Duplicate atom serial number found: 24260  
Duplicate atom serial number found: 24262  
Duplicate atom serial number found: 24264  
Duplicate atom serial number found: 24266  
Duplicate atom serial number found: 24268  
Ignored bad PDB record found on line 84227  
ATOM 2426a OWS SOL W7744 -88.161 -39.835 -5.479 1.00 0.00 O  
  
Ignored bad PDB record found on line 84228  
ATOM 2426c HWS SOL W7744 -88.405 -38.925 -5.647 1.00 0.00 H  
  
Ignored bad PDB record found on line 84229  
ATOM 2426e HWS SOL W7744 -87.213 -39.858 -5.615 1.00 0.00 H  
  
Duplicate atom serial number found: 24270  
Duplicate atom serial number found: 24272  
Duplicate atom serial number found: 24274  
Duplicate atom serial number found: 24276  
Duplicate atom serial number found: 24278  
Ignored bad PDB record found on line 84235  
ATOM 2427a HWS SOL W7746 -90.282 -54.472 -14.327 1.00 0.00 H  
  
Ignored bad PDB record found on line 84236  
ATOM 2427c OWS SOL W7747 -77.013 -24.720 -11.196 1.00 0.00 O  
  
Ignored bad PDB record found on line 84237  
ATOM 2427e HWS SOL W7747 -76.186 -25.198 -11.125 1.00 0.00 H  
  
Duplicate atom serial number found: 24280  
Duplicate atom serial number found: 24282  
Duplicate atom serial number found: 24284  
Duplicate atom serial number found: 24286  
Duplicate atom serial number found: 24288  
Ignored bad PDB record found on line 84243  
ATOM 2428a HWS SOL W7749 -72.962 -22.853 -19.125 1.00 0.00 H  
  
Ignored bad PDB record found on line 84244  
ATOM 2428c HWS SOL W7749 -71.824 -21.866 -19.272 1.00 0.00 H  
  
Ignored bad PDB record found on line 84245  
ATOM 2428e OWS SOL W7750 -71.118 12.298 23.656 1.00 0.00 O  
  
Duplicate atom serial number found: 24290  
Duplicate atom serial number found: 24292  
Duplicate atom serial number found: 24294  
Duplicate atom serial number found: 24296  
Duplicate atom serial number found: 24298  
Ignored bad PDB record found on line 84251  
ATOM 2429a OWS SOL W7752 -61.678 -40.389 -3.254 1.00 0.00 O  
  
Ignored bad PDB record found on line 84252  
ATOM 2429c HWS SOL W7752 -60.753 -40.604 -3.131 1.00 0.00 H  
  
Ignored bad PDB record found on line 84253  
ATOM 2429e HWS SOL W7752 -62.040 -40.370 -2.369 1.00 0.00 H  
  
Ignored bad PDB record found on line 84254  
ATOM 242a0 OWS SOL W7753 -77.514 -16.951 0.770 1.00 0.00 O  
  
Ignored bad PDB record found on line 84255  
ATOM 242a2 HWS SOL W7753 -77.332 -16.017 0.872 1.00 0.00 H  
  
46 messages similar to the above omitted  
Duplicate atom serial number found: 24300  
Duplicate atom serial number found: 24302  
Duplicate atom serial number found: 24304  
Duplicate atom serial number found: 24306  
Duplicate atom serial number found: 24308  
Ignored bad PDB record found on line 84307  
ATOM 2430a HWS SOL W7770 -77.205 -48.699 20.155 1.00 0.00 H  
  
Ignored bad PDB record found on line 84308  
ATOM 2430c OWS SOL W7771 -81.608 14.833 41.682 1.00 0.00 O  
  
Ignored bad PDB record found on line 84309  
ATOM 2430e HWS SOL W7771 -81.526 14.220 40.951 1.00 0.00 H  
  
Duplicate atom serial number found: 24310  
Duplicate atom serial number found: 24312  
Duplicate atom serial number found: 24314  
Duplicate atom serial number found: 24316  
Duplicate atom serial number found: 24318  
Ignored bad PDB record found on line 84315  
ATOM 2431a HWS SOL W7773 -66.019 -43.688 36.013 1.00 0.00 H  
  
Ignored bad PDB record found on line 84316  
ATOM 2431c HWS SOL W7773 -64.807 -43.905 36.893 1.00 0.00 H  
  
Ignored bad PDB record found on line 84317  
ATOM 2431e OWS SOL W7774 -77.773 -15.439 33.016 1.00 0.00 O  
  
Duplicate atom serial number found: 24320  
Duplicate atom serial number found: 24322  
Duplicate atom serial number found: 24324  
Duplicate atom serial number found: 24326  
Duplicate atom serial number found: 24328  
Ignored bad PDB record found on line 84323  
ATOM 2432a OWS SOL W7776 -58.767 -33.344 30.379 1.00 0.00 O  
  
Ignored bad PDB record found on line 84324  
ATOM 2432c HWS SOL W7776 -59.178 -33.369 31.243 1.00 0.00 H  
  
Ignored bad PDB record found on line 84325  
ATOM 2432e HWS SOL W7776 -59.446 -33.000 29.799 1.00 0.00 H  
  
Duplicate atom serial number found: 24330  
Duplicate atom serial number found: 24332  
Duplicate atom serial number found: 24334  
Duplicate atom serial number found: 24336  
Duplicate atom serial number found: 24338  
Ignored bad PDB record found on line 84331  
ATOM 2433a HWS SOL W7778 -62.305 -22.044 0.167 1.00 0.00 H  
  
Ignored bad PDB record found on line 84332  
ATOM 2433c OWS SOL W7779 -83.777 -27.194 31.125 1.00 0.00 O  
  
Ignored bad PDB record found on line 84333  
ATOM 2433e HWS SOL W7779 -84.676 -27.204 30.798 1.00 0.00 H  
  
Duplicate atom serial number found: 24340  
Duplicate atom serial number found: 24342  
Duplicate atom serial number found: 24344  
Duplicate atom serial number found: 24346  
Duplicate atom serial number found: 24348  
Ignored bad PDB record found on line 84339  
ATOM 2434a HWS SOL W7781 -73.799 -27.209 48.009 1.00 0.00 H  
  
Ignored bad PDB record found on line 84340  
ATOM 2434c HWS SOL W7781 -72.872 -26.204 48.659 1.00 0.00 H  
  
Ignored bad PDB record found on line 84341  
ATOM 2434e OWS SOL W7782 -85.280 -29.287 12.083 1.00 0.00 O  
  
Duplicate atom serial number found: 24350  
Duplicate atom serial number found: 24352  
Duplicate atom serial number found: 24354  
Duplicate atom serial number found: 24356  
Duplicate atom serial number found: 24358  
Ignored bad PDB record found on line 84347  
ATOM 2435a OWS SOL W7784 -66.486 -28.157 12.517 1.00 0.00 O  
  
Ignored bad PDB record found on line 84348  
ATOM 2435c HWS SOL W7784 -67.264 -28.607 12.189 1.00 0.00 H  
  
Ignored bad PDB record found on line 84349  
ATOM 2435e HWS SOL W7784 -65.808 -28.833 12.538 1.00 0.00 H  
  
Duplicate atom serial number found: 24360  
Duplicate atom serial number found: 24362  
Duplicate atom serial number found: 24364  
Duplicate atom serial number found: 24366  
Duplicate atom serial number found: 24368  
Ignored bad PDB record found on line 84355  
ATOM 2436a HWS SOL W7786 -65.200 -37.582 30.700 1.00 0.00 H  
  
Ignored bad PDB record found on line 84356  
ATOM 2436c OWS SOL W7787 -81.149 -12.441 29.460 1.00 0.00 O  
  
Ignored bad PDB record found on line 84357  
ATOM 2436e HWS SOL W7787 -80.387 -11.919 29.712 1.00 0.00 H  
  
Duplicate atom serial number found: 24370  
Duplicate atom serial number found: 24372  
Duplicate atom serial number found: 24374  
Duplicate atom serial number found: 24376  
Duplicate atom serial number found: 24378  
Ignored bad PDB record found on line 84363  
ATOM 2437a HWS SOL W7789 -88.041 -45.687 14.414 1.00 0.00 H  
  
Ignored bad PDB record found on line 84364  
ATOM 2437c HWS SOL W7789 -88.931 -45.216 13.283 1.00 0.00 H  
  
Ignored bad PDB record found on line 84365  
ATOM 2437e OWS SOL W7790 83.386 -15.736 23.039 1.00 0.00 O  
  
Duplicate atom serial number found: 24380  
Duplicate atom serial number found: 24382  
Duplicate atom serial number found: 24384  
Duplicate atom serial number found: 24386  
Duplicate atom serial number found: 24388  
Ignored bad PDB record found on line 84371  
ATOM 2438a OWS SOL W7792 -82.682 -16.576 12.084 1.00 0.00 O  
  
Ignored bad PDB record found on line 84372  
ATOM 2438c HWS SOL W7792 -82.098 -16.857 11.380 1.00 0.00 H  
  
Ignored bad PDB record found on line 84373  
ATOM 2438e HWS SOL W7792 -83.562 -16.757 11.753 1.00 0.00 H  
  
Duplicate atom serial number found: 24390  
Duplicate atom serial number found: 24392  
Duplicate atom serial number found: 24394  
Duplicate atom serial number found: 24396  
Duplicate atom serial number found: 24398  
Ignored bad PDB record found on line 84379  
ATOM 2439a HWS SOL W7794 -56.168 -24.441 15.111 1.00 0.00 H  
  
Ignored bad PDB record found on line 84380  
ATOM 2439c OWS SOL W7795 -72.178 -48.507 55.745 1.00 0.00 O  
  
Ignored bad PDB record found on line 84381  
ATOM 2439e HWS SOL W7795 -73.070 -48.425 56.081 1.00 0.00 H  
  
Ignored bad PDB record found on line 84382  
ATOM 243a0 HWS SOL W7795 -72.288 -48.818 54.846 1.00 0.00 H  
  
Ignored bad PDB record found on line 84383  
ATOM 243a2 OWS SOL W7796 -79.176 -44.263 39.712 1.00 0.00 O  
  
46 messages similar to the above omitted  
Duplicate atom serial number found: 24400  
Duplicate atom serial number found: 24402  
Duplicate atom serial number found: 24404  
Duplicate atom serial number found: 24406  
Duplicate atom serial number found: 24408  
Ignored bad PDB record found on line 84435  
ATOM 2440a HWS SOL W7813 83.887 -31.473 21.187 1.00 0.00 H  
  
Ignored bad PDB record found on line 84436  
ATOM 2440c HWS SOL W7813 84.848 -30.492 21.824 1.00 0.00 H  
  
Ignored bad PDB record found on line 84437  
ATOM 2440e OWS SOL W7814 86.632 -29.306 26.795 1.00 0.00 O  
  
Duplicate atom serial number found: 24410  
Duplicate atom serial number found: 24412  
Duplicate atom serial number found: 24414  
Duplicate atom serial number found: 24416  
Duplicate atom serial number found: 24418  
Ignored bad PDB record found on line 84443  
ATOM 2441a OWS SOL W7816 -81.046 -10.179 47.148 1.00 0.00 O  
  
Ignored bad PDB record found on line 84444  
ATOM 2441c HWS SOL W7816 -81.031 -10.513 46.251 1.00 0.00 H  
  
Ignored bad PDB record found on line 84445  
ATOM 2441e HWS SOL W7816 -80.126 -10.156 47.411 1.00 0.00 H  
  
Duplicate atom serial number found: 24420  
Duplicate atom serial number found: 24422  
Duplicate atom serial number found: 24424  
Duplicate atom serial number found: 24426  
Duplicate atom serial number found: 24428  
Ignored bad PDB record found on line 84451  
ATOM 2442a HWS SOL W7818 -62.775 -9.679 45.373 1.00 0.00 H  
  
Ignored bad PDB record found on line 84452  
ATOM 2442c OWS SOL W7819 79.113 -22.590 31.189 1.00 0.00 O  
  
Ignored bad PDB record found on line 84453  
ATOM 2442e HWS SOL W7819 78.750 -21.748 30.913 1.00 0.00 H  
  
Duplicate atom serial number found: 24430  
Duplicate atom serial number found: 24432  
Duplicate atom serial number found: 24434  
Duplicate atom serial number found: 24436  
Duplicate atom serial number found: 24438  
Ignored bad PDB record found on line 84459  
ATOM 2443a HWS SOL W7821 80.672 -19.859 11.897 1.00 0.00 H  
  
Ignored bad PDB record found on line 84460  
ATOM 2443c HWS SOL W7821 79.591 -20.918 11.868 1.00 0.00 H  
  
Ignored bad PDB record found on line 84461  
ATOM 2443e OWS SOL W7822 86.014 -24.685 23.756 1.00 0.00 O  
  
Duplicate atom serial number found: 24440  
Duplicate atom serial number found: 24442  
Duplicate atom serial number found: 24444  
Duplicate atom serial number found: 24446  
Duplicate atom serial number found: 24448  
Ignored bad PDB record found on line 84467  
ATOM 2444a OWS SOL W7824 -80.413 1.775 22.034 1.00 0.00 O  
  
Ignored bad PDB record found on line 84468  
ATOM 2444c HWS SOL W7824 -79.849 1.537 21.298 1.00 0.00 H  
  
Ignored bad PDB record found on line 84469  
ATOM 2444e HWS SOL W7824 -81.201 1.245 21.914 1.00 0.00 H  
  
Duplicate atom serial number found: 24450  
Duplicate atom serial number found: 24452  
Duplicate atom serial number found: 24454  
Duplicate atom serial number found: 24456  
Duplicate atom serial number found: 24458  
Ignored bad PDB record found on line 84475  
ATOM 2445a HWS SOL W7826 86.200 -19.928 23.644 1.00 0.00 H  
  
Ignored bad PDB record found on line 84476  
ATOM 2445c OWS SOL W7827 84.240 -12.352 29.595 1.00 0.00 O  
  
Ignored bad PDB record found on line 84477  
ATOM 2445e HWS SOL W7827 84.837 -13.083 29.432 1.00 0.00 H  
  
Duplicate atom serial number found: 24460  
Duplicate atom serial number found: 24462  
Duplicate atom serial number found: 24464  
Duplicate atom serial number found: 24466  
Duplicate atom serial number found: 24468  
Ignored bad PDB record found on line 84483  
ATOM 2446a HWS SOL W7829 -60.285 -22.309 25.806 1.00 0.00 H  
  
Ignored bad PDB record found on line 84484  
ATOM 2446c HWS SOL W7829 -60.925 -23.674 25.663 1.00 0.00 H  
  
Ignored bad PDB record found on line 84485  
ATOM 2446e OWS SOL W7830 -73.626 -61.744 45.213 1.00 0.00 O  
  
Duplicate atom serial number found: 24470  
Duplicate atom serial number found: 24472  
Duplicate atom serial number found: 24474  
Duplicate atom serial number found: 24476  
Duplicate atom serial number found: 24478  
Ignored bad PDB record found on line 84491  
ATOM 2447a OWS SOL W7832 -58.067 -38.574 22.098 1.00 0.00 O  
  
Ignored bad PDB record found on line 84492  
ATOM 2447c HWS SOL W7832 -58.729 -39.217 22.348 1.00 0.00 H  
  
Ignored bad PDB record found on line 84493  
ATOM 2447e HWS SOL W7832 -57.423 -38.604 22.806 1.00 0.00 H  
  
Duplicate atom serial number found: 24480  
Duplicate atom serial number found: 24482  
Duplicate atom serial number found: 24484  
Duplicate atom serial number found: 24486  
Duplicate atom serial number found: 24488  
Ignored bad PDB record found on line 84499  
ATOM 2448a HWS SOL W7834 -77.338 -55.204 23.217 1.00 0.00 H  
  
Ignored bad PDB record found on line 84500  
ATOM 2448c OWS SOL W7835 -69.689 -55.186 1.224 1.00 0.00 O  
  
Ignored bad PDB record found on line 84501  
ATOM 2448e HWS SOL W7835 -70.160 -55.346 0.406 1.00 0.00 H  
  
Duplicate atom serial number found: 24490  
Duplicate atom serial number found: 24492  
Duplicate atom serial number found: 24494  
Duplicate atom serial number found: 24496  
Duplicate atom serial number found: 24498  
Ignored bad PDB record found on line 84507  
ATOM 2449a HWS SOL W7837 -87.219 -12.271 15.996 1.00 0.00 H  
  
Ignored bad PDB record found on line 84508  
ATOM 2449c HWS SOL W7837 -86.165 -12.011 14.942 1.00 0.00 H  
  
Ignored bad PDB record found on line 84509  
ATOM 2449e OWS SOL W7838 -85.013 -37.615 12.356 1.00 0.00 O  
  
Ignored bad PDB record found on line 84510  
ATOM 244a0 HWS SOL W7838 -85.459 -37.336 11.556 1.00 0.00 H  
  
Ignored bad PDB record found on line 84511  
ATOM 244a2 HWS SOL W7838 -85.147 -36.893 12.969 1.00 0.00 H  
  
46 messages similar to the above omitted  
Duplicate atom serial number found: 24500  
Duplicate atom serial number found: 24502  
Duplicate atom serial number found: 24504  
Duplicate atom serial number found: 24506  
Duplicate atom serial number found: 24508  
Ignored bad PDB record found on line 84563  
ATOM 2450a OWS SOL W7856 -87.245 6.949 35.528 1.00 0.00 O  
  
Ignored bad PDB record found on line 84564  
ATOM 2450c HWS SOL W7856 -87.579 7.718 35.067 1.00 0.00 H  
  
Ignored bad PDB record found on line 84565  
ATOM 2450e HWS SOL W7856 -88.029 6.481 35.814 1.00 0.00 H  
  
Duplicate atom serial number found: 24510  
Duplicate atom serial number found: 24512  
Duplicate atom serial number found: 24514  
Duplicate atom serial number found: 24516  
Duplicate atom serial number found: 24518  
Ignored bad PDB record found on line 84571  
ATOM 2451a HWS SOL W7858 -87.753 -42.063 44.850 1.00 0.00 H  
  
Ignored bad PDB record found on line 84572  
ATOM 2451c OWS SOL W7859 -76.973 -30.105 45.710 1.00 0.00 O  
  
Ignored bad PDB record found on line 84573  
ATOM 2451e HWS SOL W7859 -77.191 -30.260 46.629 1.00 0.00 H  
  
Duplicate atom serial number found: 24520  
Duplicate atom serial number found: 24522  
Duplicate atom serial number found: 24524  
Duplicate atom serial number found: 24526  
Duplicate atom serial number found: 24528  
Ignored bad PDB record found on line 84579  
ATOM 2452a HWS SOL W7861 -85.422 -40.538 36.796 1.00 0.00 H  
  
Ignored bad PDB record found on line 84580  
ATOM 2452c HWS SOL W7861 -85.270 -39.045 36.995 1.00 0.00 H  
  
Ignored bad PDB record found on line 84581  
ATOM 2452e OWS SOL W7862 -90.326 -45.086 55.013 1.00 0.00 O  
  
Duplicate atom serial number found: 24530  
Duplicate atom serial number found: 24532  
Duplicate atom serial number found: 24534  
Duplicate atom serial number found: 24536  
Duplicate atom serial number found: 24538  
Ignored bad PDB record found on line 84587  
ATOM 2453a OWS SOL W7864 -71.820 -14.401 48.668 1.00 0.00 O  
  
Ignored bad PDB record found on line 84588  
ATOM 2453c HWS SOL W7864 -71.155 -14.895 48.188 1.00 0.00 H  
  
Ignored bad PDB record found on line 84589  
ATOM 2453e HWS SOL W7864 -72.303 -15.064 49.160 1.00 0.00 H  
  
Duplicate atom serial number found: 24540  
Duplicate atom serial number found: 24542  
Duplicate atom serial number found: 24544  
Duplicate atom serial number found: 24546  
Duplicate atom serial number found: 24548  
Ignored bad PDB record found on line 84595  
ATOM 2454a HWS SOL W7866 80.817 -26.822 38.851 1.00 0.00 H  
  
Ignored bad PDB record found on line 84596  
ATOM 2454c OWS SOL W7867 -77.147 -37.660 17.692 1.00 0.00 O  
  
Ignored bad PDB record found on line 84597  
ATOM 2454e HWS SOL W7867 -76.687 -36.821 17.648 1.00 0.00 H  
  
Duplicate atom serial number found: 24550  
Duplicate atom serial number found: 24552  
Duplicate atom serial number found: 24554  
Duplicate atom serial number found: 24556  
Duplicate atom serial number found: 24558  
Ignored bad PDB record found on line 84603  
ATOM 2455a HWS SOL W7869 -82.479 -12.964 21.972 1.00 0.00 H  
  
Ignored bad PDB record found on line 84604  
ATOM 2455c HWS SOL W7869 -83.248 -12.027 22.879 1.00 0.00 H  
  
Ignored bad PDB record found on line 84605  
ATOM 2455e OWS SOL W7870 -73.180 -48.827 20.441 1.00 0.00 O  
  
Duplicate atom serial number found: 24560  
Duplicate atom serial number found: 24562  
Duplicate atom serial number found: 24564  
Duplicate atom serial number found: 24566  
Duplicate atom serial number found: 24568  
Ignored bad PDB record found on line 84611  
ATOM 2456a OWS SOL W7872 86.010 -27.199 36.299 1.00 0.00 O  
  
Ignored bad PDB record found on line 84612  
ATOM 2456c HWS SOL W7872 86.964 -27.145 36.240 1.00 0.00 H  
  
Ignored bad PDB record found on line 84613  
ATOM 2456e HWS SOL W7872 85.831 -28.129 36.436 1.00 0.00 H  
  
Duplicate atom serial number found: 24570  
Duplicate atom serial number found: 24572  
Duplicate atom serial number found: 24574  
Duplicate atom serial number found: 24576  
Duplicate atom serial number found: 24578  
Ignored bad PDB record found on line 84619  
ATOM 2457a HWS SOL W7874 -89.200 -26.214 25.702 1.00 0.00 H  
  
Ignored bad PDB record found on line 84620  
ATOM 2457c OWS SOL W7875 -66.851 -14.216 14.325 1.00 0.00 O  
  
Ignored bad PDB record found on line 84621  
ATOM 2457e HWS SOL W7875 -66.656 -14.839 15.024 1.00 0.00 H  
  
Duplicate atom serial number found: 24580  
Duplicate atom serial number found: 24582  
Duplicate atom serial number found: 24584  
Duplicate atom serial number found: 24586  
Duplicate atom serial number found: 24588  
Ignored bad PDB record found on line 84627  
ATOM 2458a HWS SOL W7877 -46.897 -26.609 26.658 1.00 0.00 H  
  
Ignored bad PDB record found on line 84628  
ATOM 2458c HWS SOL W7877 -48.124 -26.757 27.533 1.00 0.00 H  
  
Ignored bad PDB record found on line 84629  
ATOM 2458e OWS SOL W7878 -68.772 -8.099 24.056 1.00 0.00 O  
  
Duplicate atom serial number found: 24590  
Duplicate atom serial number found: 24592  
Duplicate atom serial number found: 24594  
Duplicate atom serial number found: 24596  
Duplicate atom serial number found: 24598  
Ignored bad PDB record found on line 84635  
ATOM 2459a OWS SOL W7880 -72.550 -23.213 8.139 1.00 0.00 O  
  
Ignored bad PDB record found on line 84636  
ATOM 2459c HWS SOL W7880 -72.893 -23.456 7.280 1.00 0.00 H  
  
Ignored bad PDB record found on line 84637  
ATOM 2459e HWS SOL W7880 -71.601 -23.313 8.056 1.00 0.00 H  
  
Ignored bad PDB record found on line 84638  
ATOM 245a0 OWS SOL W7881 -87.294 -16.203 33.126 1.00 0.00 O  
  
Ignored bad PDB record found on line 84639  
ATOM 245a2 HWS SOL W7881 -88.006 -15.661 32.785 1.00 0.00 H  
  
46 messages similar to the above omitted  
Duplicate atom serial number found: 24600  
Duplicate atom serial number found: 24602  
Duplicate atom serial number found: 24604  
Duplicate atom serial number found: 24606  
Duplicate atom serial number found: 24608  
Ignored bad PDB record found on line 84691  
ATOM 2460a HWS SOL W7899 -63.624 -11.169 12.390 1.00 0.00 H  
  
Ignored bad PDB record found on line 84692  
ATOM 2460c OWS SOL W7900 -67.665 -18.715 30.922 1.00 0.00 O  
  
Ignored bad PDB record found on line 84693  
ATOM 2460e HWS SOL W7900 -66.880 -18.176 30.829 1.00 0.00 H  
  
Duplicate atom serial number found: 24610  
Duplicate atom serial number found: 24612  
Duplicate atom serial number found: 24614  
Duplicate atom serial number found: 24616  
Duplicate atom serial number found: 24618  
Ignored bad PDB record found on line 84699  
ATOM 2461a HWS SOL W7902 -69.028 -40.534 29.045 1.00 0.00 H  
  
Ignored bad PDB record found on line 84700  
ATOM 2461c HWS SOL W7902 -70.466 -41.003 28.990 1.00 0.00 H  
  
Ignored bad PDB record found on line 84701  
ATOM 2461e OWS SOL W7903 83.988 -23.385 25.105 1.00 0.00 O  
  
Duplicate atom serial number found: 24620  
Duplicate atom serial number found: 24622  
Duplicate atom serial number found: 24624  
Duplicate atom serial number found: 24626  
Duplicate atom serial number found: 24628  
Ignored bad PDB record found on line 84707  
ATOM 2462a OWS SOL W7905 -84.292 -39.125 18.760 1.00 0.00 O  
  
Ignored bad PDB record found on line 84708  
ATOM 2462c HWS SOL W7905 -84.304 -39.382 19.682 1.00 0.00 H  
  
Ignored bad PDB record found on line 84709  
ATOM 2462e HWS SOL W7905 -83.544 -39.595 18.390 1.00 0.00 H  
  
Duplicate atom serial number found: 24630  
Duplicate atom serial number found: 24632  
Duplicate atom serial number found: 24634  
Duplicate atom serial number found: 24636  
Duplicate atom serial number found: 24638  
Ignored bad PDB record found on line 84715  
ATOM 2463a HWS SOL W7907 -78.211 -10.471 29.136 1.00 0.00 H  
  
Ignored bad PDB record found on line 84716  
ATOM 2463c OWS SOL W7908 88.424 -7.017 21.591 1.00 0.00 O  
  
Ignored bad PDB record found on line 84717  
ATOM 2463e HWS SOL W7908 88.542 -6.898 20.648 1.00 0.00 H  
  
Duplicate atom serial number found: 24640  
Duplicate atom serial number found: 24642  
Duplicate atom serial number found: 24644  
Duplicate atom serial number found: 24646  
Duplicate atom serial number found: 24648  
Ignored bad PDB record found on line 84723  
ATOM 2464a HWS SOL W7910 84.347 -43.860 49.423 1.00 0.00 H  
  
Ignored bad PDB record found on line 84724  
ATOM 2464c HWS SOL W7910 84.405 -43.490 47.956 1.00 0.00 H  
  
Ignored bad PDB record found on line 84725  
ATOM 2464e OWS SOL W7911 -74.749 -34.428 10.387 1.00 0.00 O  
  
Duplicate atom serial number found: 24650  
Duplicate atom serial number found: 24652  
Duplicate atom serial number found: 24654  
Duplicate atom serial number found: 24656  
Duplicate atom serial number found: 24658  
Ignored bad PDB record found on line 84731  
ATOM 2465a OWS SOL W7913 68.833 -41.431 16.151 1.00 0.00 O  
  
Ignored bad PDB record found on line 84732  
ATOM 2465c HWS SOL W7913 69.262 -42.208 15.793 1.00 0.00 H  
  
Ignored bad PDB record found on line 84733  
ATOM 2465e HWS SOL W7913 68.206 -41.170 15.476 1.00 0.00 H  
  
Duplicate atom serial number found: 24660  
Duplicate atom serial number found: 24662  
Duplicate atom serial number found: 24664  
Duplicate atom serial number found: 24666  
Duplicate atom serial number found: 24668  
Ignored bad PDB record found on line 84739  
ATOM 2466a HWS SOL W7915 -77.867 -19.820 10.483 1.00 0.00 H  
  
Ignored bad PDB record found on line 84740  
ATOM 2466c OWS SOL W7916 -69.677 -39.321 20.562 1.00 0.00 O  
  
Ignored bad PDB record found on line 84741  
ATOM 2466e HWS SOL W7916 -69.648 -40.276 20.626 1.00 0.00 H  
  
Duplicate atom serial number found: 24670  
Duplicate atom serial number found: 24672  
Duplicate atom serial number found: 24674  
Duplicate atom serial number found: 24676  
Duplicate atom serial number found: 24678  
Ignored bad PDB record found on line 84747  
ATOM 2467a HWS SOL W7918 -66.539 -44.605 22.293 1.00 0.00 H  
  
Ignored bad PDB record found on line 84748  
ATOM 2467c HWS SOL W7918 -66.686 -44.007 23.676 1.00 0.00 H  
  
Ignored bad PDB record found on line 84749  
ATOM 2467e OWS SOL W7919 -82.966 -3.489 16.139 1.00 0.00 O  
  
Duplicate atom serial number found: 24680  
Duplicate atom serial number found: 24682  
Duplicate atom serial number found: 24684  
Duplicate atom serial number found: 24686  
Duplicate atom serial number found: 24688  
Ignored bad PDB record found on line 84755  
ATOM 2468a OWS SOL W7921 -73.789 -32.348 40.451 1.00 0.00 O  
  
Ignored bad PDB record found on line 84756  
ATOM 2468c HWS SOL W7921 -73.719 -32.114 41.377 1.00 0.00 H  
  
Ignored bad PDB record found on line 84757  
ATOM 2468e HWS SOL W7921 -72.980 -32.021 40.059 1.00 0.00 H  
  
Duplicate atom serial number found: 24690  
Duplicate atom serial number found: 24692  
Duplicate atom serial number found: 24694  
Duplicate atom serial number found: 24696  
Duplicate atom serial number found: 24698  
Ignored bad PDB record found on line 84763  
ATOM 2469a HWS SOL W7923 -83.621 2.120 31.338 1.00 0.00 H  
  
Ignored bad PDB record found on line 84764  
ATOM 2469c OWS SOL W7924 -82.033 -16.061 33.005 1.00 0.00 O  
  
Ignored bad PDB record found on line 84765  
ATOM 2469e HWS SOL W7924 -82.250 -16.815 32.458 1.00 0.00 H  
  
Ignored bad PDB record found on line 84766  
ATOM 246a0 HWS SOL W7924 -81.372 -15.583 32.505 1.00 0.00 H  
  
Ignored bad PDB record found on line 84767  
ATOM 246a2 OWS SOL W7925 85.376 -11.971 12.499 1.00 0.00 O  
  
46 messages similar to the above omitted  
Duplicate atom serial number found: 24700  
Duplicate atom serial number found: 24702  
Duplicate atom serial number found: 24704  
Duplicate atom serial number found: 24706  
Duplicate atom serial number found: 24708  
Ignored bad PDB record found on line 84819  
ATOM 2470a HWS SOL W7942 -77.551 -2.989 27.298 1.00 0.00 H  
  
Ignored bad PDB record found on line 84820  
ATOM 2470c HWS SOL W7942 -76.424 -3.891 26.841 1.00 0.00 H  
  
Ignored bad PDB record found on line 84821  
ATOM 2470e OWS SOL W7943 -77.922 -15.652 12.329 1.00 0.00 O  
  
Duplicate atom serial number found: 24710  
Duplicate atom serial number found: 24712  
Duplicate atom serial number found: 24714  
Duplicate atom serial number found: 24716  
Duplicate atom serial number found: 24718  
Ignored bad PDB record found on line 84827  
ATOM 2471a OWS SOL W7945 -86.725 -27.715 19.695 1.00 0.00 O  
  
Ignored bad PDB record found on line 84828  
ATOM 2471c HWS SOL W7945 -85.996 -28.133 19.237 1.00 0.00 H  
  
Ignored bad PDB record found on line 84829  
ATOM 2471e HWS SOL W7945 -87.468 -27.809 19.098 1.00 0.00 H  
  
Duplicate atom serial number found: 24720  
Duplicate atom serial number found: 24722  
Duplicate atom serial number found: 24724  
Duplicate atom serial number found: 24726  
Duplicate atom serial number found: 24728  
Ignored bad PDB record found on line 84835  
ATOM 2472a HWS SOL W7947 87.323 -18.427 34.910 1.00 0.00 H  
  
Ignored bad PDB record found on line 84836  
ATOM 2472c OWS SOL W7948 73.043 -13.273 36.573 1.00 0.00 O  
  
Ignored bad PDB record found on line 84837  
ATOM 2472e HWS SOL W7948 73.111 -13.635 37.456 1.00 0.00 H  
  
Duplicate atom serial number found: 24730  
Duplicate atom serial number found: 24732  
Duplicate atom serial number found: 24734  
Duplicate atom serial number found: 24736  
Duplicate atom serial number found: 24738  
Ignored bad PDB record found on line 84843  
ATOM 2473a HWS SOL W7950 -76.257 -42.071 52.466 1.00 0.00 H  
  
Ignored bad PDB record found on line 84844  
ATOM 2473c HWS SOL W7950 -75.526 -40.763 52.680 1.00 0.00 H  
  
Ignored bad PDB record found on line 84845  
ATOM 2473e OWS SOL W7951 -72.322 -3.875 34.693 1.00 0.00 O  
  
Duplicate atom serial number found: 24740  
Duplicate atom serial number found: 24742  
Duplicate atom serial number found: 24744  
Duplicate atom serial number found: 24746  
Duplicate atom serial number found: 24748  
Ignored bad PDB record found on line 84851  
ATOM 2474a OWS SOL W7953 88.466 -14.922 36.937 1.00 0.00 O  
  
Ignored bad PDB record found on line 84852  
ATOM 2474c HWS SOL W7953 88.199 -14.240 37.554 1.00 0.00 H  
  
Ignored bad PDB record found on line 84853  
ATOM 2474e HWS SOL W7953 89.085 -14.486 36.352 1.00 0.00 H  
  
Duplicate atom serial number found: 24750  
Duplicate atom serial number found: 24752  
Duplicate atom serial number found: 24754  
Duplicate atom serial number found: 24756  
Duplicate atom serial number found: 24758  
Ignored bad PDB record found on line 84859  
ATOM 2475a HWS SOL W7955 86.031 -35.958 9.703 1.00 0.00 H  
  
Ignored bad PDB record found on line 84860  
ATOM 2475c OWS SOL W7956 -86.189 -31.869 13.353 1.00 0.00 O  
  
Ignored bad PDB record found on line 84861  
ATOM 2475e HWS SOL W7956 -85.530 -32.231 13.946 1.00 0.00 H  
  
Duplicate atom serial number found: 24760  
Duplicate atom serial number found: 24762  
Duplicate atom serial number found: 24764  
Duplicate atom serial number found: 24766  
Duplicate atom serial number found: 24768  
Ignored bad PDB record found on line 84867  
ATOM 2476a HWS SOL W7958 -89.612 -24.537 24.335 1.00 0.00 H  
  
Ignored bad PDB record found on line 84868  
ATOM 2476c HWS SOL W7958 -90.215 -23.148 24.297 1.00 0.00 H  
  
Ignored bad PDB record found on line 84869  
ATOM 2476e OWS SOL W7959 -45.545 -28.717 37.327 1.00 0.00 O  
  
Duplicate atom serial number found: 24770  
Duplicate atom serial number found: 24772  
Duplicate atom serial number found: 24774  
Duplicate atom serial number found: 24776  
Duplicate atom serial number found: 24778  
Ignored bad PDB record found on line 84875  
ATOM 2477a OWS SOL W7961 -64.344 -29.484 36.091 1.00 0.00 O  
  
Ignored bad PDB record found on line 84876  
ATOM 2477c HWS SOL W7961 -64.095 -30.402 35.985 1.00 0.00 H  
  
Ignored bad PDB record found on line 84877  
ATOM 2477e HWS SOL W7961 -63.541 -28.995 35.910 1.00 0.00 H  
  
Duplicate atom serial number found: 24780  
Duplicate atom serial number found: 24782  
Duplicate atom serial number found: 24784  
Duplicate atom serial number found: 24786  
Duplicate atom serial number found: 24788  
Ignored bad PDB record found on line 84883  
ATOM 2478a HWS SOL W7963 -66.238 -35.064 46.089 1.00 0.00 H  
  
Ignored bad PDB record found on line 84884  
ATOM 2478c OWS SOL W7964 -78.075 -9.811 36.635 1.00 0.00 O  
  
Ignored bad PDB record found on line 84885  
ATOM 2478e HWS SOL W7964 -78.731 -9.332 36.129 1.00 0.00 H  
  
Duplicate atom serial number found: 24790  
Duplicate atom serial number found: 24792  
Duplicate atom serial number found: 24794  
Duplicate atom serial number found: 24796  
Duplicate atom serial number found: 24798  
Ignored bad PDB record found on line 84891  
ATOM 2479a HWS SOL W7966 69.199 -37.969 -0.208 1.00 0.00 H  
  
Ignored bad PDB record found on line 84892  
ATOM 2479c HWS SOL W7966 70.401 -38.682 0.375 1.00 0.00 H  
  
Ignored bad PDB record found on line 84893  
ATOM 2479e OWS SOL W7967 -72.744 -6.869 26.675 1.00 0.00 O  
  
Ignored bad PDB record found on line 84894  
ATOM 247a0 HWS SOL W7967 -72.782 -6.356 25.867 1.00 0.00 H  
  
Ignored bad PDB record found on line 84895  
ATOM 247a2 HWS SOL W7967 -73.579 -6.696 27.109 1.00 0.00 H  
  
46 messages similar to the above omitted  
Duplicate atom serial number found: 24800  
Duplicate atom serial number found: 24802  
Duplicate atom serial number found: 24804  
Duplicate atom serial number found: 24806  
Duplicate atom serial number found: 24808  
Ignored bad PDB record found on line 84947  
ATOM 2480a OWS SOL W7985 -85.084 -21.597 42.168 1.00 0.00 O  
  
Ignored bad PDB record found on line 84948  
ATOM 2480c HWS SOL W7985 -84.424 -21.144 41.642 1.00 0.00 H  
  
Ignored bad PDB record found on line 84949  
ATOM 2480e HWS SOL W7985 -85.724 -20.918 42.385 1.00 0.00 H  
  
Duplicate atom serial number found: 24810  
Duplicate atom serial number found: 24812  
Duplicate atom serial number found: 24814  
Duplicate atom serial number found: 24816  
Duplicate atom serial number found: 24818  
Ignored bad PDB record found on line 84955  
ATOM 2481a HWS SOL W7987 -86.271 -38.904 47.580 1.00 0.00 H  
  
Ignored bad PDB record found on line 84956  
ATOM 2481c OWS SOL W7988 -66.116 -24.261 44.777 1.00 0.00 O  
  
Ignored bad PDB record found on line 84957  
ATOM 2481e HWS SOL W7988 -65.389 -24.799 45.090 1.00 0.00 H  
  
Duplicate atom serial number found: 24820  
Duplicate atom serial number found: 24822  
Duplicate atom serial number found: 24824  
Duplicate atom serial number found: 24826  
Duplicate atom serial number found: 24828  
Ignored bad PDB record found on line 84963  
ATOM 2482a HWS SOL W7990 -62.799 -35.511 41.686 1.00 0.00 H  
  
Ignored bad PDB record found on line 84964  
ATOM 2482c HWS SOL W7990 -64.299 -35.311 41.651 1.00 0.00 H  
  
Ignored bad PDB record found on line 84965  
ATOM 2482e OWS SOL W7991 -65.871 -38.577 33.578 1.00 0.00 O  
  
Duplicate atom serial number found: 24830  
Duplicate atom serial number found: 24832  
Duplicate atom serial number found: 24834  
Duplicate atom serial number found: 24836  
Duplicate atom serial number found: 24838  
Ignored bad PDB record found on line 84971  
ATOM 2483a OWS SOL W7993 -74.168 -10.665 47.438 1.00 0.00 O  
  
Ignored bad PDB record found on line 84972  
ATOM 2483c HWS SOL W7993 -73.554 -10.000 47.127 1.00 0.00 H  
  
Ignored bad PDB record found on line 84973  
ATOM 2483e HWS SOL W7993 -74.592 -10.990 46.643 1.00 0.00 H  
  
Duplicate atom serial number found: 24840  
Duplicate atom serial number found: 24842  
Duplicate atom serial number found: 24844  
Duplicate atom serial number found: 24846  
Duplicate atom serial number found: 24848  
Ignored bad PDB record found on line 84979  
ATOM 2484a HWS SOL W7995 -53.879 -10.171 42.140 1.00 0.00 H  
  
Ignored bad PDB record found on line 84980  
ATOM 2484c OWS SOL W7996 84.294 -34.171 19.644 1.00 0.00 O  
  
Ignored bad PDB record found on line 84981  
ATOM 2484e HWS SOL W7996 83.956 -35.067 19.631 1.00 0.00 H  
  
Duplicate atom serial number found: 24850  
Duplicate atom serial number found: 24852  
Duplicate atom serial number found: 24854  
Duplicate atom serial number found: 24856  
Duplicate atom serial number found: 24858  
Ignored bad PDB record found on line 84987  
ATOM 2485a HWS SOL W7998 -76.074 -17.843 33.174 1.00 0.00 H  
  
Ignored bad PDB record found on line 84988  
ATOM 2485c HWS SOL W7998 -76.472 -16.575 32.449 1.00 0.00 H  
  
Ignored bad PDB record found on line 84989  
ATOM 2485e OWS SOL W7999 -90.138 -21.089 24.454 1.00 0.00 O  
  
Duplicate atom serial number found: 24860  
Duplicate atom serial number found: 24862  
Duplicate atom serial number found: 24864  
Duplicate atom serial number found: 24866  
Duplicate atom serial number found: 24868  
Ignored bad PDB record found on line 84995  
ATOM 2486a OWS SOL W8001 -55.095 -19.877 27.234 1.00 0.00 O  
  
Ignored bad PDB record found on line 84996  
ATOM 2486c HWS SOL W8001 -55.202 -19.929 26.284 1.00 0.00 H  
  
Ignored bad PDB record found on line 84997  
ATOM 2486e HWS SOL W8001 -55.135 -20.787 27.529 1.00 0.00 H  
  
Duplicate atom serial number found: 24870  
Duplicate atom serial number found: 24872  
Duplicate atom serial number found: 24874  
Duplicate atom serial number found: 24876  
Duplicate atom serial number found: 24878  
Ignored bad PDB record found on line 85003  
ATOM 2487a HWS SOL W8003 -79.107 -34.427 43.941 1.00 0.00 H  
  
Ignored bad PDB record found on line 85004  
ATOM 2487c OWS SOL W8004 -82.450 -31.654 56.545 1.00 0.00 O  
  
Ignored bad PDB record found on line 85005  
ATOM 2487e HWS SOL W8004 -82.450 -30.995 57.240 1.00 0.00 H  
  
Duplicate atom serial number found: 24880  
Duplicate atom serial number found: 24882  
Duplicate atom serial number found: 24884  
Duplicate atom serial number found: 24886  
Duplicate atom serial number found: 24888  
Ignored bad PDB record found on line 85011  
ATOM 2488a HWS SOL W8006 -86.712 -4.647 20.517 1.00 0.00 H  
  
Ignored bad PDB record found on line 85012  
ATOM 2488c HWS SOL W8006 -87.885 -5.532 20.154 1.00 0.00 H  
  
Ignored bad PDB record found on line 85013  
ATOM 2488e OWS SOL W8007 -85.228 -21.259 24.990 1.00 0.00 O  
  
Duplicate atom serial number found: 24890  
Duplicate atom serial number found: 24892  
Duplicate atom serial number found: 24894  
Duplicate atom serial number found: 24896  
Duplicate atom serial number found: 24898  
Ignored bad PDB record found on line 85019  
ATOM 2489a OWS SOL W8009 -83.403 -8.011 32.244 1.00 0.00 O  
  
Ignored bad PDB record found on line 85020  
ATOM 2489c HWS SOL W8009 -82.870 -8.754 32.529 1.00 0.00 H  
  
Ignored bad PDB record found on line 85021  
ATOM 2489e HWS SOL W8009 -83.342 -8.024 31.289 1.00 0.00 H  
  
Ignored bad PDB record found on line 85022  
ATOM 248a0 OWS SOL W8010 -82.541 -22.096 29.627 1.00 0.00 O  
  
Ignored bad PDB record found on line 85023  
ATOM 248a2 HWS SOL W8010 -81.776 -21.539 29.487 1.00 0.00 H  
  
46 messages similar to the above omitted  
Duplicate atom serial number found: 24900  
Duplicate atom serial number found: 24902  
Duplicate atom serial number found: 24904  
Duplicate atom serial number found: 24906  
Duplicate atom serial number found: 24908  
Ignored bad PDB record found on line 85075  
ATOM 2490a HWS SOL W8027 -70.070 -1.419 15.056 1.00 0.00 H  
  
Ignored bad PDB record found on line 85076  
ATOM 2490c OWS SOL W8028 85.983 -16.258 18.878 1.00 0.00 O  
  
Ignored bad PDB record found on line 85077  
ATOM 2490e HWS SOL W8028 85.040 -16.161 19.010 1.00 0.00 H  
  
Duplicate atom serial number found: 24910  
Duplicate atom serial number found: 24912  
Duplicate atom serial number found: 24914  
Duplicate atom serial number found: 24916  
Duplicate atom serial number found: 24918  
Ignored bad PDB record found on line 85083  
ATOM 2491a HWS SOL W8030 83.079 -6.204 17.175 1.00 0.00 H  
  
Ignored bad PDB record found on line 85084  
ATOM 2491c HWS SOL W8030 84.331 -6.718 16.498 1.00 0.00 H  
  
Ignored bad PDB record found on line 85085  
ATOM 2491e OWS SOL W8031 -78.928 -38.068 30.284 1.00 0.00 O  
  
Duplicate atom serial number found: 24920  
Duplicate atom serial number found: 24922  
Duplicate atom serial number found: 24924  
Duplicate atom serial number found: 24926  
Duplicate atom serial number found: 24928  
Ignored bad PDB record found on line 85091  
ATOM 2492a OWS SOL W8033 -74.752 -41.658 23.142 1.00 0.00 O  
  
Ignored bad PDB record found on line 85092  
ATOM 2492c HWS SOL W8033 -74.126 -40.956 22.961 1.00 0.00 H  
  
Ignored bad PDB record found on line 85093  
ATOM 2492e HWS SOL W8033 -75.127 -41.432 23.993 1.00 0.00 H  
  
Duplicate atom serial number found: 24930  
Duplicate atom serial number found: 24932  
Duplicate atom serial number found: 24934  
Duplicate atom serial number found: 24936  
Duplicate atom serial number found: 24938  
Ignored bad PDB record found on line 85099  
ATOM 2493a HWS SOL W8035 -75.090 -14.072 12.330 1.00 0.00 H  
  
Ignored bad PDB record found on line 85100  
ATOM 2493c OWS SOL W8036 -85.394 9.886 21.287 1.00 0.00 O  
  
Ignored bad PDB record found on line 85101  
ATOM 2493e HWS SOL W8036 -85.625 10.259 20.436 1.00 0.00 H  
  
Duplicate atom serial number found: 24940  
Duplicate atom serial number found: 24942  
Duplicate atom serial number found: 24944  
Duplicate atom serial number found: 24946  
Duplicate atom serial number found: 24948  
Ignored bad PDB record found on line 85107  
ATOM 2494a HWS SOL W8038 -52.753 -34.806 46.227 1.00 0.00 H  
  
Ignored bad PDB record found on line 85108  
ATOM 2494c HWS SOL W8038 -53.393 -34.052 45.080 1.00 0.00 H  
  
Ignored bad PDB record found on line 85109  
ATOM 2494e OWS SOL W8039 86.070 -33.765 21.579 1.00 0.00 O  
  
Duplicate atom serial number found: 24950  
Duplicate atom serial number found: 24952  
Duplicate atom serial number found: 24954  
Duplicate atom serial number found: 24956  
Duplicate atom serial number found: 24958  
Ignored bad PDB record found on line 85115  
ATOM 2495a OWS SOL W8041 -73.642 -17.651 15.941 1.00 0.00 O  
  
Ignored bad PDB record found on line 85116  
ATOM 2495c HWS SOL W8041 -74.237 -18.311 16.298 1.00 0.00 H  
  
Ignored bad PDB record found on line 85117  
ATOM 2495e HWS SOL W8041 -73.519 -17.909 15.028 1.00 0.00 H  
  
Duplicate atom serial number found: 24960  
Duplicate atom serial number found: 24962  
Duplicate atom serial number found: 24964  
Duplicate atom serial number found: 24966  
Duplicate atom serial number found: 24968  
Ignored bad PDB record found on line 85123  
ATOM 2496a HWS SOL W8043 -59.269 -5.268 41.090 1.00 0.00 H  
  
Ignored bad PDB record found on line 85124  
ATOM 2496c OWS SOL W8044 -89.885 -11.056 28.112 1.00 0.00 O  
  
Ignored bad PDB record found on line 85125  
ATOM 2496e HWS SOL W8044 -89.837 -11.173 27.164 1.00 0.00 H  
  
Duplicate atom serial number found: 24970  
Duplicate atom serial number found: 24972  
Duplicate atom serial number found: 24974  
Duplicate atom serial number found: 24976  
Duplicate atom serial number found: 24978  
Ignored bad PDB record found on line 85131  
ATOM 2497a HWS SOL W8046 -76.798 -12.611 49.052 1.00 0.00 H  
  
Ignored bad PDB record found on line 85132  
ATOM 2497c HWS SOL W8046 -76.975 -11.604 50.168 1.00 0.00 H  
  
Ignored bad PDB record found on line 85133  
ATOM 2497e OWS SOL W8047 -82.806 -7.712 10.264 1.00 0.00 O  
  
Duplicate atom serial number found: 24980  
Duplicate atom serial number found: 24982  
Duplicate atom serial number found: 24984  
Duplicate atom serial number found: 24986  
Duplicate atom serial number found: 24988  
Ignored bad PDB record found on line 85139  
ATOM 2498a OWS SOL W8049 -73.587 -29.247 56.943 1.00 0.00 O  
  
Ignored bad PDB record found on line 85140  
ATOM 2498c HWS SOL W8049 -73.226 -29.747 56.211 1.00 0.00 H  
  
Ignored bad PDB record found on line 85141  
ATOM 2498e HWS SOL W8049 -73.660 -28.352 56.610 1.00 0.00 H  
  
Duplicate atom serial number found: 24990  
Duplicate atom serial number found: 24992  
Duplicate atom serial number found: 24994  
Duplicate atom serial number found: 24996  
Duplicate atom serial number found: 24998  
Ignored bad PDB record found on line 85147  
ATOM 2499a HWS SOL W8051 87.865 -24.563 -4.244 1.00 0.00 H  
  
Ignored bad PDB record found on line 85148  
ATOM 2499c OWS SOL W8052 -77.273 -17.423 47.686 1.00 0.00 O  
  
Ignored bad PDB record found on line 85149  
ATOM 2499e HWS SOL W8052 -76.726 -17.834 48.355 1.00 0.00 H  
  
Ignored bad PDB record found on line 85150  
ATOM 249a0 HWS SOL W8052 -77.652 -16.660 48.122 1.00 0.00 H  
  
Ignored bad PDB record found on line 85151  
ATOM 249a2 OWS SOL W8053 -76.939 -34.931 19.644 1.00 0.00 O  
  
814 messages similar to the above omitted  
Duplicate atom serial number found: 25000  
Duplicate atom serial number found: 25002  
Duplicate atom serial number found: 25004  
Duplicate atom serial number found: 25006  
Duplicate atom serial number found: 25008  
Ignored bad PDB record found on line 85971  
ATOM 2500a HWS SOL W8329 85.286 -23.282 36.680 1.00 0.00 H  
  
Ignored bad PDB record found on line 85972  
ATOM 2500c HWS SOL W8329 85.999 -24.596 36.443 1.00 0.00 H  
  
Ignored bad PDB record found on line 85973  
ATOM 2500e OWS SOL W8330 -81.653 -5.122 47.005 1.00 0.00 O  
  
Duplicate atom serial number found: 25010  
Duplicate atom serial number found: 25012  
Duplicate atom serial number found: 25014  
Duplicate atom serial number found: 25016  
Duplicate atom serial number found: 25018  
Ignored bad PDB record found on line 85979  
ATOM 2501a OWS SOL W8332 -62.624 -41.250 66.776 1.00 0.00 O  
  
Ignored bad PDB record found on line 85980  
ATOM 2501c HWS SOL W8332 -62.468 -41.754 65.977 1.00 0.00 H  
  
Ignored bad PDB record found on line 85981  
ATOM 2501e HWS SOL W8332 -63.551 -41.389 66.970 1.00 0.00 H  
  
Duplicate atom serial number found: 25020  
Duplicate atom serial number found: 25022  
Duplicate atom serial number found: 25024  
Duplicate atom serial number found: 25026  
Duplicate atom serial number found: 25028  
Ignored bad PDB record found on line 85987  
ATOM 2502a HWS SOL W8334 -44.526 -21.323 60.734 1.00 0.00 H  
  
Ignored bad PDB record found on line 85988  
ATOM 2502c OWS SOL W8335 88.701 -42.977 56.379 1.00 0.00 O  
  
Ignored bad PDB record found on line 85989  
ATOM 2502e HWS SOL W8335 88.934 -42.242 55.811 1.00 0.00 H  
  
Duplicate atom serial number found: 25030  
Duplicate atom serial number found: 25032  
Duplicate atom serial number found: 25034  
Duplicate atom serial number found: 25036  
Duplicate atom serial number found: 25038  
Ignored bad PDB record found on line 85995  
ATOM 2503a HWS SOL W8337 -83.898 -29.412 75.355 1.00 0.00 H  
  
Ignored bad PDB record found on line 85996  
ATOM 2503c HWS SOL W8337 -84.331 -30.647 76.115 1.00 0.00 H  
  
Ignored bad PDB record found on line 85997  
ATOM 2503e OWS SOL W8338 -85.642 -19.361 37.084 1.00 0.00 O  
  
Duplicate atom serial number found: 25040  
Duplicate atom serial number found: 25042  
Duplicate atom serial number found: 25044  
Duplicate atom serial number found: 25046  
Duplicate atom serial number found: 25048  
Ignored bad PDB record found on line 86003  
ATOM 2504a OWS SOL W8340 73.622 -23.510 61.394 1.00 0.00 O  
  
Ignored bad PDB record found on line 86004  
ATOM 2504c HWS SOL W8340 73.253 -24.137 60.772 1.00 0.00 H  
  
Ignored bad PDB record found on line 86005  
ATOM 2504e HWS SOL W8340 73.768 -22.718 60.877 1.00 0.00 H  
  
Duplicate atom serial number found: 25050  
Duplicate atom serial number found: 25052  
Duplicate atom serial number found: 25054  
Duplicate atom serial number found: 25056  
Duplicate atom serial number found: 25058  
Ignored bad PDB record found on line 86011  
ATOM 2505a HWS SOL W8342 -68.499 -26.693 54.619 1.00 0.00 H  
  
Ignored bad PDB record found on line 86012  
ATOM 2505c OWS SOL W8343 82.958 -13.610 57.636 1.00 0.00 O  
  
Ignored bad PDB record found on line 86013  
ATOM 2505e HWS SOL W8343 83.766 -13.963 58.009 1.00 0.00 H  
  
Duplicate atom serial number found: 25060  
Duplicate atom serial number found: 25062  
Duplicate atom serial number found: 25064  
Duplicate atom serial number found: 25066  
Duplicate atom serial number found: 25068  
Ignored bad PDB record found on line 86019  
ATOM 2506a HWS SOL W8345 -76.719 -33.584 41.616 1.00 0.00 H  
  
Ignored bad PDB record found on line 86020  
ATOM 2506c HWS SOL W8345 -77.149 -32.269 42.230 1.00 0.00 H  
  
Ignored bad PDB record found on line 86021  
ATOM 2506e OWS SOL W8346 -87.902 -59.227 55.462 1.00 0.00 O  
  
Duplicate atom serial number found: 25070  
Duplicate atom serial number found: 25072  
Duplicate atom serial number found: 25074  
Duplicate atom serial number found: 25076  
Duplicate atom serial number found: 25078  
Ignored bad PDB record found on line 86027  
ATOM 2507a OWS SOL W8348 -70.692 -35.267 40.236 1.00 0.00 O  
  
Ignored bad PDB record found on line 86028  
ATOM 2507c HWS SOL W8348 -70.546 -34.419 39.816 1.00 0.00 H  
  
Ignored bad PDB record found on line 86029  
ATOM 2507e HWS SOL W8348 -71.644 -35.360 40.264 1.00 0.00 H  
  
Duplicate atom serial number found: 25080  
Duplicate atom serial number found: 25082  
Duplicate atom serial number found: 25084  
Duplicate atom serial number found: 25086  
Duplicate atom serial number found: 25088  
Ignored bad PDB record found on line 86035  
ATOM 2508a HWS SOL W8350 -89.403 -28.694 44.856 1.00 0.00 H  
  
Ignored bad PDB record found on line 86036  
ATOM 2508c OWS SOL W8351 -60.189 -28.840 60.258 1.00 0.00 O  
  
Ignored bad PDB record found on line 86037  
ATOM 2508e HWS SOL W8351 -60.266 -29.227 61.130 1.00 0.00 H  
  
Duplicate atom serial number found: 25090  
Duplicate atom serial number found: 25092  
Duplicate atom serial number found: 25094  
Duplicate atom serial number found: 25096  
Duplicate atom serial number found: 25098  
Ignored bad PDB record found on line 86043  
ATOM 2509a HWS SOL W8353 -85.371 -37.596 43.977 1.00 0.00 H  
  
Ignored bad PDB record found on line 86044  
ATOM 2509c HWS SOL W8353 -86.229 -36.817 44.951 1.00 0.00 H  
  
Ignored bad PDB record found on line 86045  
ATOM 2509e OWS SOL W8354 -65.585 -29.397 72.559 1.00 0.00 O  
  
Ignored bad PDB record found on line 86046  
ATOM 250a0 HWS SOL W8354 -66.403 -29.456 72.064 1.00 0.00 H  
  
Ignored bad PDB record found on line 86047  
ATOM 250a2 HWS SOL W8354 -65.316 -28.483 72.470 1.00 0.00 H  
  
46 messages similar to the above omitted  
Duplicate atom serial number found: 25100  
Duplicate atom serial number found: 25102  
Duplicate atom serial number found: 25104  
Duplicate atom serial number found: 25106  
Duplicate atom serial number found: 25108  
Ignored bad PDB record found on line 86099  
ATOM 2510a OWS SOL W8372 -86.660 -29.497 47.115 1.00 0.00 O  
  
Ignored bad PDB record found on line 86100  
ATOM 2510c HWS SOL W8372 -85.845 -29.192 46.717 1.00 0.00 H  
  
Ignored bad PDB record found on line 86101  
ATOM 2510e HWS SOL W8372 -87.139 -28.695 47.325 1.00 0.00 H  
  
Duplicate atom serial number found: 25110  
Duplicate atom serial number found: 25112  
Duplicate atom serial number found: 25114  
Duplicate atom serial number found: 25116  
Duplicate atom serial number found: 25118  
Ignored bad PDB record found on line 86107  
ATOM 2511a HWS SOL W8374 -85.421 -43.191 39.714 1.00 0.00 H  
  
Ignored bad PDB record found on line 86108  
ATOM 2511c OWS SOL W8375 -76.024 -26.347 49.562 1.00 0.00 O  
  
Ignored bad PDB record found on line 86109  
ATOM 2511e HWS SOL W8375 -76.638 -26.200 50.281 1.00 0.00 H  
  
Duplicate atom serial number found: 25120  
Duplicate atom serial number found: 25122  
Duplicate atom serial number found: 25124  
Duplicate atom serial number found: 25126  
Duplicate atom serial number found: 25128  
Ignored bad PDB record found on line 86115  
ATOM 2512a HWS SOL W8377 -68.096 -15.559 46.464 1.00 0.00 H  
  
Ignored bad PDB record found on line 86116  
ATOM 2512c HWS SOL W8377 -67.944 -16.337 45.175 1.00 0.00 H  
  
Ignored bad PDB record found on line 86117  
ATOM 2512e OWS SOL W8378 -83.887 -40.785 62.922 1.00 0.00 O  
  
Duplicate atom serial number found: 25130  
Duplicate atom serial number found: 25132  
Duplicate atom serial number found: 25134  
Duplicate atom serial number found: 25136  
Duplicate atom serial number found: 25138  
Ignored bad PDB record found on line 86123  
ATOM 2513a OWS SOL W8380 -83.214 -14.830 41.105 1.00 0.00 O  
  
Ignored bad PDB record found on line 86124  
ATOM 2513c HWS SOL W8380 -84.035 -14.548 40.701 1.00 0.00 H  
  
Ignored bad PDB record found on line 86125  
ATOM 2513e HWS SOL W8380 -83.420 -14.912 42.036 1.00 0.00 H  
  
Duplicate atom serial number found: 25140  
Duplicate atom serial number found: 25142  
Duplicate atom serial number found: 25144  
Duplicate atom serial number found: 25146  
Duplicate atom serial number found: 25148  
Ignored bad PDB record found on line 86131  
ATOM 2514a HWS SOL W8382 -87.655 -45.449 48.223 1.00 0.00 H  
  
Ignored bad PDB record found on line 86132  
ATOM 2514c OWS SOL W8383 -85.236 -7.609 41.438 1.00 0.00 O  
  
Ignored bad PDB record found on line 86133  
ATOM 2514e HWS SOL W8383 -84.538 -7.809 42.061 1.00 0.00 H  
  
Duplicate atom serial number found: 25150  
Duplicate atom serial number found: 25152  
Duplicate atom serial number found: 25154  
Duplicate atom serial number found: 25156  
Duplicate atom serial number found: 25158  
Ignored bad PDB record found on line 86139  
ATOM 2515a HWS SOL W8385 83.663 -47.830 63.223 1.00 0.00 H  
  
Ignored bad PDB record found on line 86140  
ATOM 2515c HWS SOL W8385 83.383 -48.645 61.979 1.00 0.00 H  
  
Ignored bad PDB record found on line 86141  
ATOM 2515e OWS SOL W8386 -78.708 -57.185 44.011 1.00 0.00 O  
  
Duplicate atom serial number found: 25160  
Duplicate atom serial number found: 25162  
Duplicate atom serial number found: 25164  
Duplicate atom serial number found: 25166  
Duplicate atom serial number found: 25168  
Ignored bad PDB record found on line 86147  
ATOM 2516a OWS SOL W8388 84.238 -42.301 57.320 1.00 0.00 O  
  
Ignored bad PDB record found on line 86148  
ATOM 2516c HWS SOL W8388 83.798 -42.324 56.471 1.00 0.00 H  
  
Ignored bad PDB record found on line 86149  
ATOM 2516e HWS SOL W8388 85.044 -41.811 57.160 1.00 0.00 H  
  
Duplicate atom serial number found: 25170  
Duplicate atom serial number found: 25172  
Duplicate atom serial number found: 25174  
Duplicate atom serial number found: 25176  
Duplicate atom serial number found: 25178  
Ignored bad PDB record found on line 86155  
ATOM 2517a HWS SOL W8390 -72.588 -18.181 58.726 1.00 0.00 H  
  
Ignored bad PDB record found on line 86156  
ATOM 2517c OWS SOL W8391 -71.730 -25.452 60.275 1.00 0.00 O  
  
Ignored bad PDB record found on line 86157  
ATOM 2517e HWS SOL W8391 -72.223 -25.955 60.923 1.00 0.00 H  
  
Duplicate atom serial number found: 25180  
Duplicate atom serial number found: 25182  
Duplicate atom serial number found: 25184  
Duplicate atom serial number found: 25186  
Duplicate atom serial number found: 25188  
Ignored bad PDB record found on line 86163  
ATOM 2518a HWS SOL W8393 88.768 -30.860 44.661 1.00 0.00 H  
  
Ignored bad PDB record found on line 86164  
ATOM 2518c HWS SOL W8393 89.309 -30.909 43.248 1.00 0.00 H  
  
Ignored bad PDB record found on line 86165  
ATOM 2518e OWS SOL W8394 87.386 -52.947 40.366 1.00 0.00 O  
  
Duplicate atom serial number found: 25190  
Duplicate atom serial number found: 25192  
Duplicate atom serial number found: 25194  
Duplicate atom serial number found: 25196  
Duplicate atom serial number found: 25198  
Ignored bad PDB record found on line 86171  
ATOM 2519a OWS SOL W8396 87.287 -25.981 30.801 1.00 0.00 O  
  
Ignored bad PDB record found on line 86172  
ATOM 2519c HWS SOL W8396 87.152 -25.644 31.686 1.00 0.00 H  
  
Ignored bad PDB record found on line 86173  
ATOM 2519e HWS SOL W8396 86.695 -25.465 30.254 1.00 0.00 H  
  
Ignored bad PDB record found on line 86174  
ATOM 251a0 OWS SOL W8397 -67.134 -19.113 56.593 1.00 0.00 O  
  
Ignored bad PDB record found on line 86175  
ATOM 251a2 HWS SOL W8397 -67.251 -18.185 56.390 1.00 0.00 H  
  
46 messages similar to the above omitted  
Duplicate atom serial number found: 25200  
Duplicate atom serial number found: 25202  
Duplicate atom serial number found: 25204  
Duplicate atom serial number found: 25206  
Duplicate atom serial number found: 25208  
Ignored bad PDB record found on line 86227  
ATOM 2520a HWS SOL W8414 80.910 -28.634 21.419 1.00 0.00 H  
  
Ignored bad PDB record found on line 86228  
ATOM 2520c OWS SOL W8415 -54.086 -51.612 38.977 1.00 0.00 O  
  
Ignored bad PDB record found on line 86229  
ATOM 2520e HWS SOL W8415 -53.745 -51.345 38.124 1.00 0.00 H  
  
Duplicate atom serial number found: 25210  
Duplicate atom serial number found: 25212  
Duplicate atom serial number found: 25214  
Duplicate atom serial number found: 25216  
Duplicate atom serial number found: 25218  
Ignored bad PDB record found on line 86235  
ATOM 2521a HWS SOL W8417 -75.346 -22.458 73.614 1.00 0.00 H  
  
Ignored bad PDB record found on line 86236  
ATOM 2521c HWS SOL W8417 -74.214 -22.845 72.686 1.00 0.00 H  
  
Ignored bad PDB record found on line 86237  
ATOM 2521e OWS SOL W8418 83.114 -53.230 78.393 1.00 0.00 O  
  
Duplicate atom serial number found: 25220  
Duplicate atom serial number found: 25222  
Duplicate atom serial number found: 25224  
Duplicate atom serial number found: 25226  
Duplicate atom serial number found: 25228  
Ignored bad PDB record found on line 86243  
ATOM 2522a OWS SOL W8420 89.682 -25.509 64.546 1.00 0.00 O  
  
Ignored bad PDB record found on line 86244  
ATOM 2522c HWS SOL W8420 90.304 -25.734 63.854 1.00 0.00 H  
  
Ignored bad PDB record found on line 86245  
ATOM 2522e HWS SOL W8420 90.093 -25.826 65.350 1.00 0.00 H  
  
Duplicate atom serial number found: 25230  
Duplicate atom serial number found: 25232  
Duplicate atom serial number found: 25234  
Duplicate atom serial number found: 25236  
Duplicate atom serial number found: 25238  
Ignored bad PDB record found on line 86251  
ATOM 2523a HWS SOL W8422 82.554 -45.809 41.240 1.00 0.00 H  
  
Ignored bad PDB record found on line 86252  
ATOM 2523c OWS SOL W8423 -78.886 -12.095 39.306 1.00 0.00 O  
  
Ignored bad PDB record found on line 86253  
ATOM 2523e HWS SOL W8423 -79.089 -12.496 40.151 1.00 0.00 H  
  
Duplicate atom serial number found: 25240  
Duplicate atom serial number found: 25242  
Duplicate atom serial number found: 25244  
Duplicate atom serial number found: 25246  
Duplicate atom serial number found: 25248  
Ignored bad PDB record found on line 86259  
ATOM 2524a HWS SOL W8425 -88.371 -44.144 58.883 1.00 0.00 H  
  
Ignored bad PDB record found on line 86260  
ATOM 2524c HWS SOL W8425 -88.104 -43.498 57.541 1.00 0.00 H  
  
Ignored bad PDB record found on line 86261  
ATOM 2524e OWS SOL W8426 -50.434 -22.493 55.472 1.00 0.00 O  
  
Duplicate atom serial number found: 25250  
Duplicate atom serial number found: 25252  
Duplicate atom serial number found: 25254  
Duplicate atom serial number found: 25256  
Duplicate atom serial number found: 25258  
Ignored bad PDB record found on line 86267  
ATOM 2525a OWS SOL W8428 -83.914 -33.317 61.557 1.00 0.00 O  
  
Ignored bad PDB record found on line 86268  
ATOM 2525c HWS SOL W8428 -83.841 -33.520 60.625 1.00 0.00 H  
  
Ignored bad PDB record found on line 86269  
ATOM 2525e HWS SOL W8428 -84.202 -32.405 61.583 1.00 0.00 H  
  
Duplicate atom serial number found: 25260  
Duplicate atom serial number found: 25262  
Duplicate atom serial number found: 25264  
Duplicate atom serial number found: 25266  
Duplicate atom serial number found: 25268  
Ignored bad PDB record found on line 86275  
ATOM 2526a HWS SOL W8430 -77.788 -48.629 80.436 1.00 0.00 H  
  
Ignored bad PDB record found on line 86276  
ATOM 2526c OWS SOL W8431 -83.919 -47.722 58.323 1.00 0.00 O  
  
Ignored bad PDB record found on line 86277  
ATOM 2526e HWS SOL W8431 -83.816 -48.561 58.772 1.00 0.00 H  
  
Duplicate atom serial number found: 25270  
Duplicate atom serial number found: 25272  
Duplicate atom serial number found: 25274  
Duplicate atom serial number found: 25276  
Duplicate atom serial number found: 25278  
Ignored bad PDB record found on line 86283  
ATOM 2527a HWS SOL W8433 -76.881 -42.222 71.817 1.00 0.00 H  
  
Ignored bad PDB record found on line 86284  
ATOM 2527c HWS SOL W8433 -77.049 -43.609 72.399 1.00 0.00 H  
  
Ignored bad PDB record found on line 86285  
ATOM 2527e OWS SOL W8434 -84.733 -11.640 47.825 1.00 0.00 O  
  
Duplicate atom serial number found: 25280  
Duplicate atom serial number found: 25282  
Duplicate atom serial number found: 25284  
Duplicate atom serial number found: 25286  
Duplicate atom serial number found: 25288  
Ignored bad PDB record found on line 86291  
ATOM 2528a OWS SOL W8436 -73.317 -19.568 47.085 1.00 0.00 O  
  
Ignored bad PDB record found on line 86292  
ATOM 2528c HWS SOL W8436 -72.742 -19.107 47.694 1.00 0.00 H  
  
Ignored bad PDB record found on line 86293  
ATOM 2528e HWS SOL W8436 -72.722 -20.009 46.479 1.00 0.00 H  
  
Duplicate atom serial number found: 25290  
Duplicate atom serial number found: 25292  
Duplicate atom serial number found: 25294  
Duplicate atom serial number found: 25296  
Duplicate atom serial number found: 25298  
Ignored bad PDB record found on line 86299  
ATOM 2529a HWS SOL W8438 -75.039 -27.920 31.541 1.00 0.00 H  
  
Ignored bad PDB record found on line 86300  
ATOM 2529c OWS SOL W8439 77.981 -22.264 64.703 1.00 0.00 O  
  
Ignored bad PDB record found on line 86301  
ATOM 2529e HWS SOL W8439 77.388 -22.320 65.452 1.00 0.00 H  
  
Ignored bad PDB record found on line 86302  
ATOM 252a0 HWS SOL W8439 78.680 -22.886 64.903 1.00 0.00 H  
  
Ignored bad PDB record found on line 86303  
ATOM 252a2 OWS SOL W8440 -83.080 -17.974 51.529 1.00 0.00 O  
  
46 messages similar to the above omitted  
Duplicate atom serial number found: 25300  
Duplicate atom serial number found: 25302  
Duplicate atom serial number found: 25304  
Duplicate atom serial number found: 25306  
Duplicate atom serial number found: 25308  
Ignored bad PDB record found on line 86355  
ATOM 2530a HWS SOL W8457 -78.666 -40.375 46.972 1.00 0.00 H  
  
Ignored bad PDB record found on line 86356  
ATOM 2530c HWS SOL W8457 -79.291 -41.191 45.861 1.00 0.00 H  
  
Ignored bad PDB record found on line 86357  
ATOM 2530e OWS SOL W8458 -74.988 -29.280 63.331 1.00 0.00 O  
  
Duplicate atom serial number found: 25310  
Duplicate atom serial number found: 25312  
Duplicate atom serial number found: 25314  
Duplicate atom serial number found: 25316  
Duplicate atom serial number found: 25318  
Ignored bad PDB record found on line 86363  
ATOM 2531a OWS SOL W8460 -76.447 -45.358 64.121 1.00 0.00 O  
  
Ignored bad PDB record found on line 86364  
ATOM 2531c HWS SOL W8460 -75.921 -44.581 64.311 1.00 0.00 H  
  
Ignored bad PDB record found on line 86365  
ATOM 2531e HWS SOL W8460 -75.877 -46.094 64.341 1.00 0.00 H  
  
Duplicate atom serial number found: 25320  
Duplicate atom serial number found: 25322  
Duplicate atom serial number found: 25324  
Duplicate atom serial number found: 25326  
Duplicate atom serial number found: 25328  
Ignored bad PDB record found on line 86371  
ATOM 2532a HWS SOL W8462 87.582 -40.653 54.007 1.00 0.00 H  
  
Ignored bad PDB record found on line 86372  
ATOM 2532c OWS SOL W8463 -74.246 -36.081 51.966 1.00 0.00 O  
  
Ignored bad PDB record found on line 86373  
ATOM 2532e HWS SOL W8463 -74.416 -35.443 51.274 1.00 0.00 H  
  
Duplicate atom serial number found: 25330  
Duplicate atom serial number found: 25332  
Duplicate atom serial number found: 25334  
Duplicate atom serial number found: 25336  
Duplicate atom serial number found: 25338  
Ignored bad PDB record found on line 86379  
ATOM 2533a HWS SOL W8465 -85.362 -26.967 75.846 1.00 0.00 H  
  
Ignored bad PDB record found on line 86380  
ATOM 2533c HWS SOL W8465 -84.218 -25.995 75.650 1.00 0.00 H  
  
Ignored bad PDB record found on line 86381  
ATOM 2533e OWS SOL W8466 -84.629 -29.164 45.415 1.00 0.00 O  
  
Duplicate atom serial number found: 25340  
Duplicate atom serial number found: 25342  
Duplicate atom serial number found: 25344  
Duplicate atom serial number found: 25346  
Duplicate atom serial number found: 25348  
Ignored bad PDB record found on line 86387  
ATOM 2534a OWS SOL W8468 -67.513 -33.695 36.855 1.00 0.00 O  
  
Ignored bad PDB record found on line 86388  
ATOM 2534c HWS SOL W8468 -68.284 -33.428 36.355 1.00 0.00 H  
  
Ignored bad PDB record found on line 86389  
ATOM 2534e HWS SOL W8468 -67.869 -34.111 37.641 1.00 0.00 H  
  
Duplicate atom serial number found: 25350  
Duplicate atom serial number found: 25352  
Duplicate atom serial number found: 25354  
Duplicate atom serial number found: 25356  
Duplicate atom serial number found: 25358  
Ignored bad PDB record found on line 86395  
ATOM 2535a HWS SOL W8470 -83.645 -26.537 51.772 1.00 0.00 H  
  
Ignored bad PDB record found on line 86396  
ATOM 2535c OWS SOL W8471 -89.968 -30.147 50.280 1.00 0.00 O  
  
Ignored bad PDB record found on line 86397  
ATOM 2535e HWS SOL W8471 -89.721 -29.349 50.747 1.00 0.00 H  
  
Duplicate atom serial number found: 25360  
Duplicate atom serial number found: 25362  
Duplicate atom serial number found: 25364  
Duplicate atom serial number found: 25366  
Duplicate atom serial number found: 25368  
Ignored bad PDB record found on line 86403  
ATOM 2536a HWS SOL W8473 -79.388 -23.992 53.092 1.00 0.00 H  
  
Ignored bad PDB record found on line 86404  
ATOM 2536c HWS SOL W8473 -78.976 -25.366 53.576 1.00 0.00 H  
  
Ignored bad PDB record found on line 86405  
ATOM 2536e OWS SOL W8474 -63.059 -36.671 57.676 1.00 0.00 O  
  
Duplicate atom serial number found: 25370  
Duplicate atom serial number found: 25372  
Duplicate atom serial number found: 25374  
Duplicate atom serial number found: 25376  
Duplicate atom serial number found: 25378  
Ignored bad PDB record found on line 86411  
ATOM 2537a OWS SOL W8476 -59.133 -43.662 67.201 1.00 0.00 O  
  
Ignored bad PDB record found on line 86412  
ATOM 2537c HWS SOL W8476 -58.473 -43.469 66.535 1.00 0.00 H  
  
Ignored bad PDB record found on line 86413  
ATOM 2537e HWS SOL W8476 -59.479 -44.520 66.955 1.00 0.00 H  
  
Duplicate atom serial number found: 25380  
Duplicate atom serial number found: 25382  
Duplicate atom serial number found: 25384  
Duplicate atom serial number found: 25386  
Duplicate atom serial number found: 25388  
Ignored bad PDB record found on line 86419  
ATOM 2538a HWS SOL W8478 -81.512 -31.736 80.866 1.00 0.00 H  
  
Ignored bad PDB record found on line 86420  
ATOM 2538c OWS SOL W8479 -88.098 -18.116 37.167 1.00 0.00 O  
  
Ignored bad PDB record found on line 86421  
ATOM 2538e HWS SOL W8479 -88.569 -17.846 37.955 1.00 0.00 H  
  
Duplicate atom serial number found: 25390  
Duplicate atom serial number found: 25392  
Duplicate atom serial number found: 25394  
Duplicate atom serial number found: 25396  
Duplicate atom serial number found: 25398  
Ignored bad PDB record found on line 86427  
ATOM 2539a HWS SOL W8481 -69.868 -43.291 53.686 1.00 0.00 H  
  
Ignored bad PDB record found on line 86428  
ATOM 2539c HWS SOL W8481 -70.691 -42.379 54.570 1.00 0.00 H  
  
Ignored bad PDB record found on line 86429  
ATOM 2539e OWS SOL W8482 -73.197 -33.662 54.537 1.00 0.00 O  
  
Ignored bad PDB record found on line 86430  
ATOM 253a0 HWS SOL W8482 -73.788 -34.249 54.065 1.00 0.00 H  
  
Ignored bad PDB record found on line 86431  
ATOM 253a2 HWS SOL W8482 -72.624 -33.303 53.859 1.00 0.00 H  
  
46 messages similar to the above omitted  
Duplicate atom serial number found: 25400  
Duplicate atom serial number found: 25402  
Duplicate atom serial number found: 25404  
Duplicate atom serial number found: 25406  
Duplicate atom serial number found: 25408  
Ignored bad PDB record found on line 86483  
ATOM 2540a OWS SOL W8500 -75.458 -18.960 49.188 1.00 0.00 O  
  
Ignored bad PDB record found on line 86484  
ATOM 2540c HWS SOL W8500 -75.273 -19.820 49.565 1.00 0.00 H  
  
Ignored bad PDB record found on line 86485  
ATOM 2540e HWS SOL W8500 -74.724 -18.794 48.597 1.00 0.00 H  
  
Duplicate atom serial number found: 25410  
Duplicate atom serial number found: 25412  
Duplicate atom serial number found: 25414  
Duplicate atom serial number found: 25416  
Duplicate atom serial number found: 25418  
Ignored bad PDB record found on line 86491  
ATOM 2541a HWS SOL W8502 -77.039 -29.629 59.871 1.00 0.00 H  
  
Ignored bad PDB record found on line 86492  
ATOM 2541c OWS SOL W8503 -65.062 -37.178 64.348 1.00 0.00 O  
  
Ignored bad PDB record found on line 86493  
ATOM 2541e HWS SOL W8503 -64.406 -36.994 65.020 1.00 0.00 H  
  
Duplicate atom serial number found: 25420  
Duplicate atom serial number found: 25422  
Duplicate atom serial number found: 25424  
Duplicate atom serial number found: 25426  
Duplicate atom serial number found: 25428  
Ignored bad PDB record found on line 86499  
ATOM 2542a HWS SOL W8505 -83.157 -38.885 57.601 1.00 0.00 H  
  
Ignored bad PDB record found on line 86500  
ATOM 2542c HWS SOL W8505 -81.785 -38.360 57.966 1.00 0.00 H  
  
Ignored bad PDB record found on line 86501  
ATOM 2542e OWS SOL W8506 -87.621 -28.757 85.378 1.00 0.00 O  
  
Duplicate atom serial number found: 25430  
Duplicate atom serial number found: 25432  
Duplicate atom serial number found: 25434  
Duplicate atom serial number found: 25436  
Duplicate atom serial number found: 25438  
Ignored bad PDB record found on line 86507  
ATOM 2543a OWS SOL W8508 -80.305 -25.641 59.575 1.00 0.00 O  
  
Ignored bad PDB record found on line 86508  
ATOM 2543c HWS SOL W8508 -81.089 -26.074 59.912 1.00 0.00 H  
  
Ignored bad PDB record found on line 86509  
ATOM 2543e HWS SOL W8508 -80.600 -24.762 59.335 1.00 0.00 H  
  
Duplicate atom serial number found: 25440  
Duplicate atom serial number found: 25442  
Duplicate atom serial number found: 25444  
Duplicate atom serial number found: 25446  
Duplicate atom serial number found: 25448  
Ignored bad PDB record found on line 86515  
ATOM 2544a HWS SOL W8510 84.427 -21.258 69.397 1.00 0.00 H  
  
Ignored bad PDB record found on line 86516  
ATOM 2544c OWS SOL W8511 -71.784 -22.097 52.021 1.00 0.00 O  
  
Ignored bad PDB record found on line 86517  
ATOM 2544e HWS SOL W8511 -71.835 -22.735 52.733 1.00 0.00 H  
  
Duplicate atom serial number found: 25450  
Duplicate atom serial number found: 25452  
Duplicate atom serial number found: 25454  
Duplicate atom serial number found: 25456  
Duplicate atom serial number found: 25458  
Ignored bad PDB record found on line 86523  
ATOM 2545a HWS SOL W8513 -61.555 -31.146 49.420 1.00 0.00 H  
  
Ignored bad PDB record found on line 86524  
ATOM 2545c HWS SOL W8513 -62.796 -30.528 50.027 1.00 0.00 H  
  
Ignored bad PDB record found on line 86525  
ATOM 2545e OWS SOL W8514 -85.964 -7.448 49.697 1.00 0.00 O  
  
Duplicate atom serial number found: 25460  
Duplicate atom serial number found: 25462  
Duplicate atom serial number found: 25464  
Duplicate atom serial number found: 25466  
Duplicate atom serial number found: 25468  
Ignored bad PDB record found on line 86531  
ATOM 2546a OWS SOL W8516 -88.637 -46.435 67.760 1.00 0.00 O  
  
Ignored bad PDB record found on line 86532  
ATOM 2546c HWS SOL W8516 -87.964 -46.352 68.437 1.00 0.00 H  
  
Ignored bad PDB record found on line 86533  
ATOM 2546e HWS SOL W8516 -88.384 -45.799 67.091 1.00 0.00 H  
  
Duplicate atom serial number found: 25470  
Duplicate atom serial number found: 25472  
Duplicate atom serial number found: 25474  
Duplicate atom serial number found: 25476  
Duplicate atom serial number found: 25478  
Ignored bad PDB record found on line 86539  
ATOM 2547a HWS SOL W8518 -75.622 -45.870 51.197 1.00 0.00 H  
  
Ignored bad PDB record found on line 86540  
ATOM 2547c OWS SOL W8519 -75.359 -37.999 50.076 1.00 0.00 O  
  
Ignored bad PDB record found on line 86541  
ATOM 2547e HWS SOL W8519 -75.636 -38.802 49.634 1.00 0.00 H  
  
Duplicate atom serial number found: 25480  
Duplicate atom serial number found: 25482  
Duplicate atom serial number found: 25484  
Duplicate atom serial number found: 25486  
Duplicate atom serial number found: 25488  
Ignored bad PDB record found on line 86547  
ATOM 2548a HWS SOL W8521 -80.501 -36.359 69.402 1.00 0.00 H  
  
Ignored bad PDB record found on line 86548  
ATOM 2548c HWS SOL W8521 -79.716 -35.934 70.624 1.00 0.00 H  
  
Ignored bad PDB record found on line 86549  
ATOM 2548e OWS SOL W8522 -79.135 -4.719 42.563 1.00 0.00 O  
  
Duplicate atom serial number found: 25490  
Duplicate atom serial number found: 25492  
Duplicate atom serial number found: 25494  
Duplicate atom serial number found: 25496  
Duplicate atom serial number found: 25498  
Ignored bad PDB record found on line 86555  
ATOM 2549a OWS SOL W8524 78.242 -33.128 67.810 1.00 0.00 O  
  
Ignored bad PDB record found on line 86556  
ATOM 2549c HWS SOL W8524 78.830 -33.327 68.539 1.00 0.00 H  
  
Ignored bad PDB record found on line 86557  
ATOM 2549e HWS SOL W8524 78.753 -33.332 67.027 1.00 0.00 H  
  
Ignored bad PDB record found on line 86558  
ATOM 254a0 OWS SOL W8525 -67.601 -37.258 38.770 1.00 0.00 O  
  
Ignored bad PDB record found on line 86559  
ATOM 254a2 HWS SOL W8525 -67.100 -36.693 39.358 1.00 0.00 H  
  
46 messages similar to the above omitted  
Duplicate atom serial number found: 25500  
Duplicate atom serial number found: 25502  
Duplicate atom serial number found: 25504  
Duplicate atom serial number found: 25506  
Duplicate atom serial number found: 25508  
Ignored bad PDB record found on line 86611  
ATOM 2550a HWS SOL W8542 -80.076 -29.231 42.157 1.00 0.00 H  
  
Ignored bad PDB record found on line 86612  
ATOM 2550c OWS SOL W8543 -86.334 -32.493 58.825 1.00 0.00 O  
  
Ignored bad PDB record found on line 86613  
ATOM 2550e HWS SOL W8543 -85.962 -32.140 58.017 1.00 0.00 H  
  
Duplicate atom serial number found: 25510  
Duplicate atom serial number found: 25512  
Duplicate atom serial number found: 25514  
Duplicate atom serial number found: 25516  
Duplicate atom serial number found: 25518  
Ignored bad PDB record found on line 86619  
ATOM 2551a HWS SOL W8545 -87.350 -33.335 68.436 1.00 0.00 H  
  
Ignored bad PDB record found on line 86620  
ATOM 2551c HWS SOL W8545 -86.931 -33.989 67.137 1.00 0.00 H  
  
Ignored bad PDB record found on line 86621  
ATOM 2551e OWS SOL W8546 -83.756 -29.403 63.089 1.00 0.00 O  
  
Duplicate atom serial number found: 25520  
Duplicate atom serial number found: 25522  
Duplicate atom serial number found: 25524  
Duplicate atom serial number found: 25526  
Duplicate atom serial number found: 25528  
Ignored bad PDB record found on line 86627  
ATOM 2552a OWS SOL W8548 -86.258 -37.340 34.991 1.00 0.00 O  
  
Ignored bad PDB record found on line 86628  
ATOM 2552c HWS SOL W8548 -86.319 -36.820 34.189 1.00 0.00 H  
  
Ignored bad PDB record found on line 86629  
ATOM 2552e HWS SOL W8548 -86.889 -38.049 34.866 1.00 0.00 H  
  
Duplicate atom serial number found: 25530  
Duplicate atom serial number found: 25532  
Duplicate atom serial number found: 25534  
Duplicate atom serial number found: 25536  
Duplicate atom serial number found: 25538  
Ignored bad PDB record found on line 86635  
ATOM 2553a HWS SOL W8550 -85.831 -27.506 44.631 1.00 0.00 H  
  
Ignored bad PDB record found on line 86636  
ATOM 2553c OWS SOL W8551 -74.769 -39.900 54.152 1.00 0.00 O  
  
Ignored bad PDB record found on line 86637  
ATOM 2553e HWS SOL W8551 -75.466 -40.144 54.762 1.00 0.00 H  
  
Duplicate atom serial number found: 25540  
Duplicate atom serial number found: 25542  
Duplicate atom serial number found: 25544  
Duplicate atom serial number found: 25546  
Duplicate atom serial number found: 25548  
Ignored bad PDB record found on line 86643  
ATOM 2554a HWS SOL W8553 79.425 -41.422 49.433 1.00 0.00 H  
  
Ignored bad PDB record found on line 86644  
ATOM 2554c HWS SOL W8553 78.007 -41.510 49.957 1.00 0.00 H  
  
Ignored bad PDB record found on line 86645  
ATOM 2554e OWS SOL W8554 78.465 -62.953 63.453 1.00 0.00 O  
  
Duplicate atom serial number found: 25550  
Duplicate atom serial number found: 25552  
Duplicate atom serial number found: 25554  
Duplicate atom serial number found: 25556  
Duplicate atom serial number found: 25558  
Ignored bad PDB record found on line 86651  
ATOM 2555a OWS SOL W8556 -53.829 -30.074 51.739 1.00 0.00 O  
  
Ignored bad PDB record found on line 86652  
ATOM 2555c HWS SOL W8556 -53.890 -30.560 52.562 1.00 0.00 H  
  
Ignored bad PDB record found on line 86653  
ATOM 2555e HWS SOL W8556 -53.222 -29.358 51.928 1.00 0.00 H  
  
Duplicate atom serial number found: 25560  
Duplicate atom serial number found: 25562  
Duplicate atom serial number found: 25564  
Duplicate atom serial number found: 25566  
Duplicate atom serial number found: 25568  
Ignored bad PDB record found on line 86659  
ATOM 2556a HWS SOL W8558 -64.963 -50.856 46.692 1.00 0.00 H  
  
Ignored bad PDB record found on line 86660  
ATOM 2556c OWS SOL W8559 -78.423 -43.477 37.188 1.00 0.00 O  
  
Ignored bad PDB record found on line 86661  
ATOM 2556e HWS SOL W8559 -78.904 -42.705 37.484 1.00 0.00 H  
  
Duplicate atom serial number found: 25570  
Duplicate atom serial number found: 25572  
Duplicate atom serial number found: 25574  
Duplicate atom serial number found: 25576  
Duplicate atom serial number found: 25578  
Ignored bad PDB record found on line 86667  
ATOM 2557a HWS SOL W8561 -81.098 -31.747 46.060 1.00 0.00 H  
  
Ignored bad PDB record found on line 86668  
ATOM 2557c HWS SOL W8561 -81.389 -33.218 45.854 1.00 0.00 H  
  
Ignored bad PDB record found on line 86669  
ATOM 2557e OWS SOL W8562 -78.273 -36.436 39.046 1.00 0.00 O  
  
Duplicate atom serial number found: 25580  
Duplicate atom serial number found: 25582  
Duplicate atom serial number found: 25584  
Duplicate atom serial number found: 25586  
Duplicate atom serial number found: 25588  
Ignored bad PDB record found on line 86675  
ATOM 2558a OWS SOL W8564 -78.096 -30.553 50.972 1.00 0.00 O  
  
Ignored bad PDB record found on line 86676  
ATOM 2558c HWS SOL W8564 -78.074 -29.792 51.551 1.00 0.00 H  
  
Ignored bad PDB record found on line 86677  
ATOM 2558e HWS SOL W8564 -77.227 -30.944 51.056 1.00 0.00 H  
  
Duplicate atom serial number found: 25590  
Duplicate atom serial number found: 25592  
Duplicate atom serial number found: 25594  
Duplicate atom serial number found: 25596  
Duplicate atom serial number found: 25598  
Ignored bad PDB record found on line 86683  
ATOM 2559a HWS SOL W8566 88.903 -18.524 49.338 1.00 0.00 H  
  
Ignored bad PDB record found on line 86684  
ATOM 2559c OWS SOL W8567 -87.300 -24.912 57.233 1.00 0.00 O  
  
Ignored bad PDB record found on line 86685  
ATOM 2559e HWS SOL W8567 -87.969 -24.280 56.968 1.00 0.00 H  
  
Ignored bad PDB record found on line 86686  
ATOM 255a0 HWS SOL W8567 -86.866 -25.159 56.416 1.00 0.00 H  
  
Ignored bad PDB record found on line 86687  
ATOM 255a2 OWS SOL W8568 -63.440 -47.090 44.038 1.00 0.00 O  
  
46 messages similar to the above omitted  
Duplicate atom serial number found: 25600  
Duplicate atom serial number found: 25602  
Duplicate atom serial number found: 25604  
Duplicate atom serial number found: 25606  
Duplicate atom serial number found: 25608  
Ignored bad PDB record found on line 86739  
ATOM 2560a HWS SOL W8585 -83.214 -56.730 42.944 1.00 0.00 H  
  
Ignored bad PDB record found on line 86740  
ATOM 2560c HWS SOL W8585 -84.593 -57.347 42.852 1.00 0.00 H  
  
Ignored bad PDB record found on line 86741  
ATOM 2560e OWS SOL W8586 -71.554 -22.475 63.638 1.00 0.00 O  
  
Duplicate atom serial number found: 25610  
Duplicate atom serial number found: 25612  
Duplicate atom serial number found: 25614  
Duplicate atom serial number found: 25616  
Duplicate atom serial number found: 25618  
Ignored bad PDB record found on line 86747  
ATOM 2561a OWS SOL W8588 86.344 -23.436 40.425 1.00 0.00 O  
  
Ignored bad PDB record found on line 86748  
ATOM 2561c HWS SOL W8588 86.337 -22.907 39.628 1.00 0.00 H  
  
Ignored bad PDB record found on line 86749  
ATOM 2561e HWS SOL W8588 86.759 -22.877 41.081 1.00 0.00 H  
  
Duplicate atom serial number found: 25620  
Duplicate atom serial number found: 25622  
Duplicate atom serial number found: 25624  
Duplicate atom serial number found: 25626  
Duplicate atom serial number found: 25628  
Ignored bad PDB record found on line 86755  
ATOM 2562a HWS SOL W8590 -71.540 -38.297 58.581 1.00 0.00 H  
  
Ignored bad PDB record found on line 86756  
ATOM 2562c OWS SOL W8591 84.717 -42.832 37.642 1.00 0.00 O  
  
Ignored bad PDB record found on line 86757  
ATOM 2562e HWS SOL W8591 84.526 -42.210 38.344 1.00 0.00 H  
  
Duplicate atom serial number found: 25630  
Duplicate atom serial number found: 25632  
Duplicate atom serial number found: 25634  
Duplicate atom serial number found: 25636  
Duplicate atom serial number found: 25638  
Ignored bad PDB record found on line 86763  
ATOM 2563a HWS SOL W8593 -78.791 -27.626 52.267 1.00 0.00 H  
  
Ignored bad PDB record found on line 86764  
ATOM 2563c HWS SOL W8593 -78.288 -28.609 53.303 1.00 0.00 H  
  
Ignored bad PDB record found on line 86765  
ATOM 2563e OWS SOL W8594 -75.974 -23.043 58.919 1.00 0.00 O  
  
Duplicate atom serial number found: 25640  
Duplicate atom serial number found: 25642  
Duplicate atom serial number found: 25644  
Duplicate atom serial number found: 25646  
Duplicate atom serial number found: 25648  
Ignored bad PDB record found on line 86771  
ATOM 2564a OWS SOL W8596 86.075 -22.625 56.415 1.00 0.00 O  
  
Ignored bad PDB record found on line 86772  
ATOM 2564c HWS SOL W8596 86.606 -23.410 56.551 1.00 0.00 H  
  
Ignored bad PDB record found on line 86773  
ATOM 2564e HWS SOL W8596 85.284 -22.777 56.934 1.00 0.00 H  
  
Duplicate atom serial number found: 25650  
Duplicate atom serial number found: 25652  
Duplicate atom serial number found: 25654  
Duplicate atom serial number found: 25656  
Duplicate atom serial number found: 25658  
Ignored bad PDB record found on line 86779  
ATOM 2565a HWS SOL W8598 -76.715 -61.612 54.722 1.00 0.00 H  
  
Ignored bad PDB record found on line 86780  
ATOM 2565c OWS SOL W8599 87.447 -53.372 51.070 1.00 0.00 O  
  
Ignored bad PDB record found on line 86781  
ATOM 2565e HWS SOL W8599 86.963 -53.733 50.327 1.00 0.00 H  
  
Duplicate atom serial number found: 25660  
Duplicate atom serial number found: 25662  
Duplicate atom serial number found: 25664  
Duplicate atom serial number found: 25666  
Duplicate atom serial number found: 25668  
Ignored bad PDB record found on line 86787  
ATOM 2566a HWS SOL W8601 81.389 -30.487 51.393 1.00 0.00 H  
  
Ignored bad PDB record found on line 86788  
ATOM 2566c HWS SOL W8601 80.362 -30.237 50.310 1.00 0.00 H  
  
Ignored bad PDB record found on line 86789  
ATOM 2566e OWS SOL W8602 73.188 -25.290 56.744 1.00 0.00 O  
  
Duplicate atom serial number found: 25670  
Duplicate atom serial number found: 25672  
Duplicate atom serial number found: 25674  
Duplicate atom serial number found: 25676  
Duplicate atom serial number found: 25678  
Ignored bad PDB record found on line 86795  
ATOM 2567a OWS SOL W8604 76.778 -22.948 67.112 1.00 0.00 O  
  
Ignored bad PDB record found on line 86796  
ATOM 2567c HWS SOL W8604 76.982 -22.053 67.384 1.00 0.00 H  
  
Ignored bad PDB record found on line 86797  
ATOM 2567e HWS SOL W8604 77.093 -23.495 67.832 1.00 0.00 H  
  
Duplicate atom serial number found: 25680  
Duplicate atom serial number found: 25682  
Duplicate atom serial number found: 25684  
Duplicate atom serial number found: 25686  
Duplicate atom serial number found: 25688  
Ignored bad PDB record found on line 86803  
ATOM 2568a HWS SOL W8606 80.077 -24.708 16.119 1.00 0.00 H  
  
Ignored bad PDB record found on line 86804  
ATOM 2568c OWS SOL W8607 -89.065 -16.215 58.519 1.00 0.00 O  
  
Ignored bad PDB record found on line 86805  
ATOM 2568e HWS SOL W8607 -88.549 -16.575 57.798 1.00 0.00 H  
  
Duplicate atom serial number found: 25690  
Duplicate atom serial number found: 25692  
Duplicate atom serial number found: 25694  
Duplicate atom serial number found: 25696  
Duplicate atom serial number found: 25698  
Ignored bad PDB record found on line 86811  
ATOM 2569a HWS SOL W8609 87.608 -8.810 67.915 1.00 0.00 H  
  
Ignored bad PDB record found on line 86812  
ATOM 2569c HWS SOL W8609 88.847 -8.060 68.354 1.00 0.00 H  
  
Ignored bad PDB record found on line 86813  
ATOM 2569e OWS SOL W8610 -66.709 -43.743 59.138 1.00 0.00 O  
  
Ignored bad PDB record found on line 86814  
ATOM 256a0 HWS SOL W8610 -65.981 -43.122 59.150 1.00 0.00 H  
  
Ignored bad PDB record found on line 86815  
ATOM 256a2 HWS SOL W8610 -66.370 -44.518 59.587 1.00 0.00 H  
  
46 messages similar to the above omitted  
Duplicate atom serial number found: 25700  
Duplicate atom serial number found: 25702  
Duplicate atom serial number found: 25704  
Duplicate atom serial number found: 25706  
Duplicate atom serial number found: 25708  
Ignored bad PDB record found on line 86867  
ATOM 2570a OWS SOL W8628 -86.196 -18.970 48.213 1.00 0.00 O  
  
Ignored bad PDB record found on line 86868  
ATOM 2570c HWS SOL W8628 -86.758 -18.834 47.450 1.00 0.00 H  
  
Ignored bad PDB record found on line 86869  
ATOM 2570e HWS SOL W8628 -85.981 -18.086 48.513 1.00 0.00 H  
  
Duplicate atom serial number found: 25710  
Duplicate atom serial number found: 25712  
Duplicate atom serial number found: 25714  
Duplicate atom serial number found: 25716  
Duplicate atom serial number found: 25718  
Ignored bad PDB record found on line 86875  
ATOM 2571a HWS SOL W8630 -87.528 -23.837 44.355 1.00 0.00 H  
  
Ignored bad PDB record found on line 86876  
ATOM 2571c OWS SOL W8631 87.465 -43.651 59.319 1.00 0.00 O  
  
Ignored bad PDB record found on line 86877  
ATOM 2571e HWS SOL W8631 86.572 -43.942 59.135 1.00 0.00 H  
  
Duplicate atom serial number found: 25720  
Duplicate atom serial number found: 25722  
Duplicate atom serial number found: 25724  
Duplicate atom serial number found: 25726  
Duplicate atom serial number found: 25728  
Ignored bad PDB record found on line 86883  
ATOM 2572a HWS SOL W8633 74.194 -35.324 63.973 1.00 0.00 H  
  
Ignored bad PDB record found on line 86884  
ATOM 2572c HWS SOL W8633 74.904 -35.519 62.650 1.00 0.00 H  
  
Ignored bad PDB record found on line 86885  
ATOM 2572e OWS SOL W8634 -61.885 -32.246 59.176 1.00 0.00 O  
  
Duplicate atom serial number found: 25730  
Duplicate atom serial number found: 25732  
Duplicate atom serial number found: 25734  
Duplicate atom serial number found: 25736  
Duplicate atom serial number found: 25738  
Ignored bad PDB record found on line 86891  
ATOM 2573a OWS SOL W8636 -79.934 -34.892 66.201 1.00 0.00 O  
  
Ignored bad PDB record found on line 86892  
ATOM 2573c HWS SOL W8636 -80.652 -35.143 65.620 1.00 0.00 H  
  
Ignored bad PDB record found on line 86893  
ATOM 2573e HWS SOL W8636 -80.161 -35.283 67.045 1.00 0.00 H  
  
Duplicate atom serial number found: 25740  
Duplicate atom serial number found: 25742  
Duplicate atom serial number found: 25744  
Duplicate atom serial number found: 25746  
Duplicate atom serial number found: 25748  
Ignored bad PDB record found on line 86899  
ATOM 2574a HWS SOL W8638 -87.490 -53.458 55.398 1.00 0.00 H  
  
Ignored bad PDB record found on line 86900  
ATOM 2574c OWS SOL W8639 -88.748 -26.346 62.924 1.00 0.00 O  
  
Ignored bad PDB record found on line 86901  
ATOM 2574e HWS SOL W8639 -88.469 -27.212 62.629 1.00 0.00 H  
  
Duplicate atom serial number found: 25750  
Duplicate atom serial number found: 25752  
Duplicate atom serial number found: 25754  
Duplicate atom serial number found: 25756  
Duplicate atom serial number found: 25758  
Ignored bad PDB record found on line 86907  
ATOM 2575a HWS SOL W8641 -82.725 -3.775 31.400 1.00 0.00 H  
  
Ignored bad PDB record found on line 86908  
ATOM 2575c HWS SOL W8641 -83.594 -5.014 31.421 1.00 0.00 H  
  
Ignored bad PDB record found on line 86909  
ATOM 2575e OWS SOL W8642 -86.127 -29.779 38.020 1.00 0.00 O  
  
Duplicate atom serial number found: 25760  
Duplicate atom serial number found: 25762  
Duplicate atom serial number found: 25764  
Duplicate atom serial number found: 25766  
Duplicate atom serial number found: 25768  
Ignored bad PDB record found on line 86915  
ATOM 2576a OWS SOL W8644 -63.300 -22.998 46.775 1.00 0.00 O  
  
Ignored bad PDB record found on line 86916  
ATOM 2576c HWS SOL W8644 -63.474 -23.320 47.659 1.00 0.00 H  
  
Ignored bad PDB record found on line 86917  
ATOM 2576e HWS SOL W8644 -63.810 -22.190 46.709 1.00 0.00 H  
  
Duplicate atom serial number found: 25770  
Duplicate atom serial number found: 25772  
Duplicate atom serial number found: 25774  
Duplicate atom serial number found: 25776  
Duplicate atom serial number found: 25778  
Ignored bad PDB record found on line 86923  
ATOM 2577a HWS SOL W8646 -70.466 -26.326 67.022 1.00 0.00 H  
  
Ignored bad PDB record found on line 86924  
ATOM 2577c OWS SOL W8647 -85.997 -34.787 38.877 1.00 0.00 O  
  
Ignored bad PDB record found on line 86925  
ATOM 2577e HWS SOL W8647 -86.801 -35.228 39.150 1.00 0.00 H  
  
Duplicate atom serial number found: 25780  
Duplicate atom serial number found: 25782  
Duplicate atom serial number found: 25784  
Duplicate atom serial number found: 25786  
Duplicate atom serial number found: 25788  
Ignored bad PDB record found on line 86931  
ATOM 2578a HWS SOL W8649 -54.945 -39.693 61.587 1.00 0.00 H  
  
Ignored bad PDB record found on line 86932  
ATOM 2578c HWS SOL W8649 -56.046 -39.032 62.389 1.00 0.00 H  
  
Ignored bad PDB record found on line 86933  
ATOM 2578e OWS SOL W8650 86.133 -9.652 41.690 1.00 0.00 O  
  
Duplicate atom serial number found: 25790  
Duplicate atom serial number found: 25792  
Duplicate atom serial number found: 25794  
Duplicate atom serial number found: 25796  
Duplicate atom serial number found: 25798  
Ignored bad PDB record found on line 86939  
ATOM 2579a OWS SOL W8652 -82.611 -49.388 55.712 1.00 0.00 O  
  
Ignored bad PDB record found on line 86940  
ATOM 2579c HWS SOL W8652 -83.037 -49.161 54.885 1.00 0.00 H  
  
Ignored bad PDB record found on line 86941  
ATOM 2579e HWS SOL W8652 -83.256 -49.921 56.176 1.00 0.00 H  
  
Ignored bad PDB record found on line 86942  
ATOM 257a0 OWS SOL W8653 -75.249 -33.049 28.400 1.00 0.00 O  
  
Ignored bad PDB record found on line 86943  
ATOM 257a2 HWS SOL W8653 -76.101 -33.243 28.009 1.00 0.00 H  
  
46 messages similar to the above omitted  
Duplicate atom serial number found: 25800  
Duplicate atom serial number found: 25802  
Duplicate atom serial number found: 25804  
Duplicate atom serial number found: 25806  
Duplicate atom serial number found: 25808  
Ignored bad PDB record found on line 86995  
ATOM 2580a HWS SOL W8670 -75.875 -25.446 62.732 1.00 0.00 H  
  
Ignored bad PDB record found on line 86996  
ATOM 2580c OWS SOL W8671 -78.688 -23.777 -86.966 1.00 0.00 O  
  
Ignored bad PDB record found on line 86997  
ATOM 2580e HWS SOL W8671 -78.943 -23.059 -87.545 1.00 0.00 H  
  
Duplicate atom serial number found: 25810  
Duplicate atom serial number found: 25812  
Duplicate atom serial number found: 25814  
Duplicate atom serial number found: 25816  
Duplicate atom serial number found: 25818  
Ignored bad PDB record found on line 87003  
ATOM 2581a HWS SOL W8673 87.699 -30.405 63.402 1.00 0.00 H  
  
Ignored bad PDB record found on line 87004  
ATOM 2581c HWS SOL W8673 86.400 -30.289 62.633 1.00 0.00 H  
  
Ignored bad PDB record found on line 87005  
ATOM 2581e OWS SOL W8674 -70.282 -45.692 49.088 1.00 0.00 O  
  
Duplicate atom serial number found: 25820  
Duplicate atom serial number found: 25822  
Duplicate atom serial number found: 25824  
Duplicate atom serial number found: 25826  
Duplicate atom serial number found: 25828  
Ignored bad PDB record found on line 87011  
ATOM 2582a OWS SOL W8676 -84.130 -19.530 69.284 1.00 0.00 O  
  
Ignored bad PDB record found on line 87012  
ATOM 2582c HWS SOL W8676 -83.420 -20.159 69.412 1.00 0.00 H  
  
Ignored bad PDB record found on line 87013  
ATOM 2582e HWS SOL W8676 -83.850 -18.751 69.763 1.00 0.00 H  
  
Duplicate atom serial number found: 25830  
Duplicate atom serial number found: 25832  
Duplicate atom serial number found: 25834  
Duplicate atom serial number found: 25836  
Duplicate atom serial number found: 25838  
Ignored bad PDB record found on line 87019  
ATOM 2583a HWS SOL W8678 -88.018 -34.939 47.065 1.00 0.00 H  
  
Ignored bad PDB record found on line 87020  
ATOM 2583c OWS SOL W8679 -71.216 -21.573 66.290 1.00 0.00 O  
  
Ignored bad PDB record found on line 87021  
ATOM 2583e HWS SOL W8679 -70.777 -22.145 66.921 1.00 0.00 H  
  
Duplicate atom serial number found: 25840  
Duplicate atom serial number found: 25842  
Duplicate atom serial number found: 25844  
Duplicate atom serial number found: 25846  
Duplicate atom serial number found: 25848  
Ignored bad PDB record found on line 87027  
ATOM 2584a HWS SOL W8681 -77.852 -33.842 50.620 1.00 0.00 H  
  
Ignored bad PDB record found on line 87028  
ATOM 2584c HWS SOL W8681 -76.362 -33.845 50.888 1.00 0.00 H  
  
Ignored bad PDB record found on line 87029  
ATOM 2584e OWS SOL W8682 82.715 -25.875 50.139 1.00 0.00 O  
  
Duplicate atom serial number found: 25850  
Duplicate atom serial number found: 25852  
Duplicate atom serial number found: 25854  
Duplicate atom serial number found: 25856  
Duplicate atom serial number found: 25858  
Ignored bad PDB record found on line 87035  
ATOM 2585a OWS SOL W8684 -69.323 -23.685 52.198 1.00 0.00 O  
  
Ignored bad PDB record found on line 87036  
ATOM 2585c HWS SOL W8684 -70.025 -23.908 52.809 1.00 0.00 H  
  
Ignored bad PDB record found on line 87037  
ATOM 2585e HWS SOL W8684 -69.704 -23.016 51.628 1.00 0.00 H  
  
Duplicate atom serial number found: 25860  
Duplicate atom serial number found: 25862  
Duplicate atom serial number found: 25864  
Duplicate atom serial number found: 25866  
Duplicate atom serial number found: 25868  
Ignored bad PDB record found on line 87043  
ATOM 2586a HWS SOL W8686 -70.276 -20.076 56.982 1.00 0.00 H  
  
Ignored bad PDB record found on line 87044  
ATOM 2586c OWS SOL W8687 -81.996 -4.456 52.902 1.00 0.00 O  
  
Ignored bad PDB record found on line 87045  
ATOM 2586e HWS SOL W8687 -81.962 -4.544 51.949 1.00 0.00 H  
  
Duplicate atom serial number found: 25870  
Duplicate atom serial number found: 25872  
Duplicate atom serial number found: 25874  
Duplicate atom serial number found: 25876  
Duplicate atom serial number found: 25878  
Ignored bad PDB record found on line 87051  
ATOM 2587a HWS SOL W8689 -82.041 -22.038 48.753 1.00 0.00 H  
  
Ignored bad PDB record found on line 87052  
ATOM 2587c HWS SOL W8689 -83.151 -22.782 48.042 1.00 0.00 H  
  
Ignored bad PDB record found on line 87053  
ATOM 2587e OWS SOL W8690 -65.305 -34.601 38.369 1.00 0.00 O  
  
Duplicate atom serial number found: 25880  
Duplicate atom serial number found: 25882  
Duplicate atom serial number found: 25884  
Duplicate atom serial number found: 25886  
Duplicate atom serial number found: 25888  
Ignored bad PDB record found on line 87059  
ATOM 2588a OWS SOL W8692 -75.553 -37.987 37.037 1.00 0.00 O  
  
Ignored bad PDB record found on line 87060  
ATOM 2588c HWS SOL W8692 -75.855 -38.041 36.130 1.00 0.00 H  
  
Ignored bad PDB record found on line 87061  
ATOM 2588e HWS SOL W8692 -76.318 -38.225 37.559 1.00 0.00 H  
  
Duplicate atom serial number found: 25890  
Duplicate atom serial number found: 25892  
Duplicate atom serial number found: 25894  
Duplicate atom serial number found: 25896  
Duplicate atom serial number found: 25898  
Ignored bad PDB record found on line 87067  
ATOM 2589a HWS SOL W8694 87.323 -27.763 47.677 1.00 0.00 H  
  
Ignored bad PDB record found on line 87068  
ATOM 2589c OWS SOL W8695 -71.573 -24.121 54.056 1.00 0.00 O  
  
Ignored bad PDB record found on line 87069  
ATOM 2589e HWS SOL W8695 -71.119 -24.407 54.849 1.00 0.00 H  
  
Ignored bad PDB record found on line 87070  
ATOM 258a0 HWS SOL W8695 -72.478 -24.410 54.181 1.00 0.00 H  
  
Ignored bad PDB record found on line 87071  
ATOM 258a2 OWS SOL W8696 -72.136 -60.318 49.097 1.00 0.00 O  
  
46 messages similar to the above omitted  
Duplicate atom serial number found: 25900  
Duplicate atom serial number found: 25902  
Duplicate atom serial number found: 25904  
Duplicate atom serial number found: 25906  
Duplicate atom serial number found: 25908  
Ignored bad PDB record found on line 87123  
ATOM 2590a HWS SOL W8713 -79.872 -14.133 41.924 1.00 0.00 H  
  
Ignored bad PDB record found on line 87124  
ATOM 2590c HWS SOL W8713 -79.701 -15.341 41.027 1.00 0.00 H  
  
Ignored bad PDB record found on line 87125  
ATOM 2590e OWS SOL W8714 -85.364 -39.629 65.228 1.00 0.00 O  
  
Duplicate atom serial number found: 25910  
Duplicate atom serial number found: 25912  
Duplicate atom serial number found: 25914  
Duplicate atom serial number found: 25916  
Duplicate atom serial number found: 25918  
Ignored bad PDB record found on line 87131  
ATOM 2591a OWS SOL W8716 -67.124 -20.039 75.333 1.00 0.00 O  
  
Ignored bad PDB record found on line 87132  
ATOM 2591c HWS SOL W8716 -67.976 -19.997 74.898 1.00 0.00 H  
  
Ignored bad PDB record found on line 87133  
ATOM 2591e HWS SOL W8716 -67.242 -20.685 76.029 1.00 0.00 H  
  
Duplicate atom serial number found: 25920  
Duplicate atom serial number found: 25922  
Duplicate atom serial number found: 25924  
Duplicate atom serial number found: 25926  
Duplicate atom serial number found: 25928  
Ignored bad PDB record found on line 87139  
ATOM 2592a HWS SOL W8718 -70.349 -16.562 67.602 1.00 0.00 H  
  
Ignored bad PDB record found on line 87140  
ATOM 2592c OWS SOL W8719 86.076 -17.278 68.103 1.00 0.00 O  
  
Ignored bad PDB record found on line 87141  
ATOM 2592e HWS SOL W8719 86.097 -17.291 69.060 1.00 0.00 H  
  
Duplicate atom serial number found: 25930  
Duplicate atom serial number found: 25932  
Duplicate atom serial number found: 25934  
Duplicate atom serial number found: 25936  
Duplicate atom serial number found: 25938  
Ignored bad PDB record found on line 87147  
ATOM 2593a HWS SOL W8721 -73.296 0.636 49.339 1.00 0.00 H  
  
Ignored bad PDB record found on line 87148  
ATOM 2593c HWS SOL W8721 -73.676 2.092 49.174 1.00 0.00 H  
  
Ignored bad PDB record found on line 87149  
ATOM 2593e OWS SOL W8722 88.805 -25.099 44.063 1.00 0.00 O  
  
Duplicate atom serial number found: 25940  
Duplicate atom serial number found: 25942  
Duplicate atom serial number found: 25944  
Duplicate atom serial number found: 25946  
Duplicate atom serial number found: 25948  
Ignored bad PDB record found on line 87155  
ATOM 2594a OWS SOL W8724 -86.095 -10.890 63.582 1.00 0.00 O  
  
Ignored bad PDB record found on line 87156  
ATOM 2594c HWS SOL W8724 -86.522 -11.583 63.077 1.00 0.00 H  
  
Ignored bad PDB record found on line 87157  
ATOM 2594e HWS SOL W8724 -85.721 -10.307 62.921 1.00 0.00 H  
  
Duplicate atom serial number found: 25950  
Duplicate atom serial number found: 25952  
Duplicate atom serial number found: 25954  
Duplicate atom serial number found: 25956  
Duplicate atom serial number found: 25958  
Ignored bad PDB record found on line 87163  
ATOM 2595a HWS SOL W8726 -73.971 -16.057 61.398 1.00 0.00 H  
  
Ignored bad PDB record found on line 87164  
ATOM 2595c OWS SOL W8727 86.688 -44.823 55.155 1.00 0.00 O  
  
Ignored bad PDB record found on line 87165  
ATOM 2595e HWS SOL W8727 87.224 -45.591 54.956 1.00 0.00 H  
  
Duplicate atom serial number found: 25960  
Duplicate atom serial number found: 25962  
Duplicate atom serial number found: 25964  
Duplicate atom serial number found: 25966  
Duplicate atom serial number found: 25968  
Ignored bad PDB record found on line 87171  
ATOM 2596a HWS SOL W8729 -81.878 -48.513 43.839 1.00 0.00 H  
  
Ignored bad PDB record found on line 87172  
ATOM 2596c HWS SOL W8729 -82.409 -49.164 42.580 1.00 0.00 H  
  
Ignored bad PDB record found on line 87173  
ATOM 2596e OWS SOL W8730 -78.202 -42.812 23.340 1.00 0.00 O  
  
Duplicate atom serial number found: 25970  
Duplicate atom serial number found: 25972  
Duplicate atom serial number found: 25974  
Duplicate atom serial number found: 25976  
Duplicate atom serial number found: 25978  
Ignored bad PDB record found on line 87179  
ATOM 2597a OWS SOL W8732 -73.119 -21.264 61.319 1.00 0.00 O  
  
Ignored bad PDB record found on line 87180  
ATOM 2597c HWS SOL W8732 -73.909 -21.703 61.635 1.00 0.00 H  
  
Ignored bad PDB record found on line 87181  
ATOM 2597e HWS SOL W8732 -73.218 -20.356 61.603 1.00 0.00 H  
  
Duplicate atom serial number found: 25980  
Duplicate atom serial number found: 25982  
Duplicate atom serial number found: 25984  
Duplicate atom serial number found: 25986  
Duplicate atom serial number found: 25988  
Ignored bad PDB record found on line 87187  
ATOM 2598a HWS SOL W8734 -88.050 -24.428 76.164 1.00 0.00 H  
  
Ignored bad PDB record found on line 87188  
ATOM 2598c OWS SOL W8735 -85.612 -29.134 49.688 1.00 0.00 O  
  
Ignored bad PDB record found on line 87189  
ATOM 2598e HWS SOL W8735 -85.969 -29.161 48.800 1.00 0.00 H  
  
Duplicate atom serial number found: 25990  
Duplicate atom serial number found: 25992  
Duplicate atom serial number found: 25994  
Duplicate atom serial number found: 25996  
Duplicate atom serial number found: 25998  
Ignored bad PDB record found on line 87195  
ATOM 2599a HWS SOL W8737 -80.584 -29.197 77.200 1.00 0.00 H  
  
Ignored bad PDB record found on line 87196  
ATOM 2599c HWS SOL W8737 -80.032 -28.667 75.893 1.00 0.00 H  
  
Ignored bad PDB record found on line 87197  
ATOM 2599e OWS SOL W8738 -63.695 -17.684 61.287 1.00 0.00 O  
  
Ignored bad PDB record found on line 87198  
ATOM 259a0 HWS SOL W8738 -63.301 -17.151 60.597 1.00 0.00 H  
  
Ignored bad PDB record found on line 87199  
ATOM 259a2 HWS SOL W8738 -64.593 -17.834 60.993 1.00 0.00 H  
  
814 messages similar to the above omitted  
Duplicate atom serial number found: 26000  
Duplicate atom serial number found: 26002  
Duplicate atom serial number found: 26004  
Duplicate atom serial number found: 26006  
Duplicate atom serial number found: 26008  
Ignored bad PDB record found on line 88019  
ATOM 2600a OWS SOL W9015 -85.334 -40.656 70.995 1.00 0.00 O  
  
Ignored bad PDB record found on line 88020  
ATOM 2600c HWS SOL W9015 -85.694 -40.905 71.847 1.00 0.00 H  
  
Ignored bad PDB record found on line 88021  
ATOM 2600e HWS SOL W9015 -85.313 -39.699 71.014 1.00 0.00 H  
  
Duplicate atom serial number found: 26010  
Duplicate atom serial number found: 26012  
Duplicate atom serial number found: 26014  
Duplicate atom serial number found: 26016  
Duplicate atom serial number found: 26018  
Ignored bad PDB record found on line 88027  
ATOM 2601a HWS SOL W9017 81.337 -15.125 59.870 1.00 0.00 H  
  
Ignored bad PDB record found on line 88028  
ATOM 2601c OWS SOL W9018 -71.293 -40.489 69.321 1.00 0.00 O  
  
Ignored bad PDB record found on line 88029  
ATOM 2601e HWS SOL W9018 -70.672 -40.750 70.001 1.00 0.00 H  
  
Duplicate atom serial number found: 26020  
Duplicate atom serial number found: 26022  
Duplicate atom serial number found: 26024  
Duplicate atom serial number found: 26026  
Duplicate atom serial number found: 26028  
Ignored bad PDB record found on line 88035  
ATOM 2602a HWS SOL W9020 -76.742 -40.534 88.445 1.00 0.00 H  
  
Ignored bad PDB record found on line 88036  
ATOM 2602c HWS SOL W9020 -76.965 -41.560 87.354 1.00 0.00 H  
  
Ignored bad PDB record found on line 88037  
ATOM 2602e OWS SOL W9021 -77.792 -42.713 -83.593 1.00 0.00 O  
  
Duplicate atom serial number found: 26030  
Duplicate atom serial number found: 26032  
Duplicate atom serial number found: 26034  
Duplicate atom serial number found: 26036  
Duplicate atom serial number found: 26038  
Ignored bad PDB record found on line 88043  
ATOM 2603a OWS SOL W9023 71.814 -3.063 55.914 1.00 0.00 O  
  
Ignored bad PDB record found on line 88044  
ATOM 2603c HWS SOL W9023 70.957 -3.255 56.296 1.00 0.00 H  
  
Ignored bad PDB record found on line 88045  
ATOM 2603e HWS SOL W9023 71.692 -2.230 55.458 1.00 0.00 H  
  
Duplicate atom serial number found: 26040  
Duplicate atom serial number found: 26042  
Duplicate atom serial number found: 26044  
Duplicate atom serial number found: 26046  
Duplicate atom serial number found: 26048  
Ignored bad PDB record found on line 88051  
ATOM 2604a HWS SOL W9025 78.001 -35.376 89.677 1.00 0.00 H  
  
Ignored bad PDB record found on line 88052  
ATOM 2604c OWS SOL W9026 -88.301 -21.414 82.169 1.00 0.00 O  
  
Ignored bad PDB record found on line 88053  
ATOM 2604e HWS SOL W9026 -87.511 -20.899 82.010 1.00 0.00 H  
  
Duplicate atom serial number found: 26050  
Duplicate atom serial number found: 26052  
Duplicate atom serial number found: 26054  
Duplicate atom serial number found: 26056  
Duplicate atom serial number found: 26058  
Ignored bad PDB record found on line 88059  
ATOM 2605a HWS SOL W9028 -80.087 -29.575 -80.127 1.00 0.00 H  
  
Ignored bad PDB record found on line 88060  
ATOM 2605c HWS SOL W9028 -80.568 -30.632 -81.098 1.00 0.00 H  
  
Ignored bad PDB record found on line 88061  
ATOM 2605e OWS SOL W9029 -69.975 -24.593 -81.346 1.00 0.00 O  
  
Duplicate atom serial number found: 26060  
Duplicate atom serial number found: 26062  
Duplicate atom serial number found: 26064  
Duplicate atom serial number found: 26066  
Duplicate atom serial number found: 26068  
Ignored bad PDB record found on line 88067  
ATOM 2606a OWS SOL W9031 -81.761 -25.416 85.313 1.00 0.00 O  
  
Ignored bad PDB record found on line 88068  
ATOM 2606c HWS SOL W9031 -82.110 -26.039 85.951 1.00 0.00 H  
  
Ignored bad PDB record found on line 88069  
ATOM 2606e HWS SOL W9031 -81.840 -24.564 85.742 1.00 0.00 H  
  
Duplicate atom serial number found: 26070  
Duplicate atom serial number found: 26072  
Duplicate atom serial number found: 26074  
Duplicate atom serial number found: 26076  
Duplicate atom serial number found: 26078  
Ignored bad PDB record found on line 88075  
ATOM 2607a HWS SOL W9033 -79.331 -25.715 71.932 1.00 0.00 H  
  
Ignored bad PDB record found on line 88076  
ATOM 2607c OWS SOL W9034 89.335 -58.046 76.590 1.00 0.00 O  
  
Ignored bad PDB record found on line 88077  
ATOM 2607e HWS SOL W9034 89.533 -58.307 75.690 1.00 0.00 H  
  
Duplicate atom serial number found: 26080  
Duplicate atom serial number found: 26082  
Duplicate atom serial number found: 26084  
Duplicate atom serial number found: 26086  
Duplicate atom serial number found: 26088  
Ignored bad PDB record found on line 88083  
ATOM 2608a HWS SOL W9036 -87.433 -11.503 69.880 1.00 0.00 H  
  
Ignored bad PDB record found on line 88084  
ATOM 2608c HWS SOL W9036 -87.954 -12.233 68.660 1.00 0.00 H  
  
Ignored bad PDB record found on line 88085  
ATOM 2608e OWS SOL W9037 77.082 -17.575 -88.639 1.00 0.00 O  
  
Duplicate atom serial number found: 26090  
Duplicate atom serial number found: 26092  
Duplicate atom serial number found: 26094  
Duplicate atom serial number found: 26096  
Duplicate atom serial number found: 26098  
Ignored bad PDB record found on line 88091  
ATOM 2609a OWS SOL W9039 86.213 -11.870 73.018 1.00 0.00 O  
  
Ignored bad PDB record found on line 88092  
ATOM 2609c HWS SOL W9039 86.615 -11.520 73.813 1.00 0.00 H  
  
Ignored bad PDB record found on line 88093  
ATOM 2609e HWS SOL W9039 85.908 -11.096 72.543 1.00 0.00 H  
  
Ignored bad PDB record found on line 88094  
ATOM 260a0 OWS SOL W9040 79.180 -17.986 88.331 1.00 0.00 O  
  
Ignored bad PDB record found on line 88095  
ATOM 260a2 HWS SOL W9040 79.097 -17.724 87.414 1.00 0.00 H  
  
46 messages similar to the above omitted  
Duplicate atom serial number found: 26100  
Duplicate atom serial number found: 26102  
Duplicate atom serial number found: 26104  
Duplicate atom serial number found: 26106  
Duplicate atom serial number found: 26108  
Ignored bad PDB record found on line 88147  
ATOM 2610a HWS SOL W9057 -76.953 -32.046 55.990 1.00 0.00 H  
  
Ignored bad PDB record found on line 88148  
ATOM 2610c OWS SOL W9058 -79.500 -46.973 72.302 1.00 0.00 O  
  
Ignored bad PDB record found on line 88149  
ATOM 2610e HWS SOL W9058 -79.098 -46.413 72.966 1.00 0.00 H  
  
Duplicate atom serial number found: 26110  
Duplicate atom serial number found: 26112  
Duplicate atom serial number found: 26114  
Duplicate atom serial number found: 26116  
Duplicate atom serial number found: 26118  
Ignored bad PDB record found on line 88155  
ATOM 2611a HWS SOL W9060 -63.625 -13.044 -77.181 1.00 0.00 H  
  
Ignored bad PDB record found on line 88156  
ATOM 2611c HWS SOL W9060 -63.037 -11.652 -77.088 1.00 0.00 H  
  
Ignored bad PDB record found on line 88157  
ATOM 2611e OWS SOL W9061 85.148 -19.027 75.212 1.00 0.00 O  
  
Duplicate atom serial number found: 26120  
Duplicate atom serial number found: 26122  
Duplicate atom serial number found: 26124  
Duplicate atom serial number found: 26126  
Duplicate atom serial number found: 26128  
Ignored bad PDB record found on line 88163  
ATOM 2612a OWS SOL W9063 -73.405 -0.235 82.343 1.00 0.00 O  
  
Ignored bad PDB record found on line 88164  
ATOM 2612c HWS SOL W9063 -73.009 -0.928 81.815 1.00 0.00 H  
  
Ignored bad PDB record found on line 88165  
ATOM 2612e HWS SOL W9063 -73.997 0.217 81.741 1.00 0.00 H  
  
Duplicate atom serial number found: 26130  
Duplicate atom serial number found: 26132  
Duplicate atom serial number found: 26134  
Duplicate atom serial number found: 26136  
Duplicate atom serial number found: 26138  
Ignored bad PDB record found on line 88171  
ATOM 2613a HWS SOL W9065 -73.304 -46.324 -79.328 1.00 0.00 H  
  
Ignored bad PDB record found on line 88172  
ATOM 2613c OWS SOL W9066 83.990 -30.011 60.496 1.00 0.00 O  
  
Ignored bad PDB record found on line 88173  
ATOM 2613e HWS SOL W9066 83.405 -29.828 59.762 1.00 0.00 H  
  
Duplicate atom serial number found: 26140  
Duplicate atom serial number found: 26142  
Duplicate atom serial number found: 26144  
Duplicate atom serial number found: 26146  
Duplicate atom serial number found: 26148  
Ignored bad PDB record found on line 88179  
ATOM 2614a HWS SOL W9068 -83.265 -15.610 79.231 1.00 0.00 H  
  
Ignored bad PDB record found on line 88180  
ATOM 2614c HWS SOL W9068 -81.972 -15.417 79.993 1.00 0.00 H  
  
Ignored bad PDB record found on line 88181  
ATOM 2614e OWS SOL W9069 -79.868 -13.603 86.251 1.00 0.00 O  
  
Duplicate atom serial number found: 26150  
Duplicate atom serial number found: 26152  
Duplicate atom serial number found: 26154  
Duplicate atom serial number found: 26156  
Duplicate atom serial number found: 26158  
Ignored bad PDB record found on line 88187  
ATOM 2615a OWS SOL W9071 -88.623 -9.385 85.128 1.00 0.00 O  
  
Ignored bad PDB record found on line 88188  
ATOM 2615c HWS SOL W9071 -88.624 -9.736 86.018 1.00 0.00 H  
  
Ignored bad PDB record found on line 88189  
ATOM 2615e HWS SOL W9071 -87.742 -9.564 84.800 1.00 0.00 H  
  
Duplicate atom serial number found: 26160  
Duplicate atom serial number found: 26162  
Duplicate atom serial number found: 26164  
Duplicate atom serial number found: 26166  
Duplicate atom serial number found: 26168  
Ignored bad PDB record found on line 88195  
ATOM 2616a HWS SOL W9073 79.452 -36.908 70.309 1.00 0.00 H  
  
Ignored bad PDB record found on line 88196  
ATOM 2616c OWS SOL W9074 89.647 -28.475 78.136 1.00 0.00 O  
  
Ignored bad PDB record found on line 88197  
ATOM 2616e HWS SOL W9074 89.775 -29.287 77.645 1.00 0.00 H  
  
Duplicate atom serial number found: 26170  
Duplicate atom serial number found: 26172  
Duplicate atom serial number found: 26174  
Duplicate atom serial number found: 26176  
Duplicate atom serial number found: 26178  
Ignored bad PDB record found on line 88203  
ATOM 2617a HWS SOL W9076 87.444 -22.782 -75.713 1.00 0.00 H  
  
Ignored bad PDB record found on line 88204  
ATOM 2617c HWS SOL W9076 87.649 -21.981 -74.444 1.00 0.00 H  
  
Ignored bad PDB record found on line 88205  
ATOM 2617e OWS SOL W9077 82.064 1.659 69.503 1.00 0.00 O  
  
Duplicate atom serial number found: 26180  
Duplicate atom serial number found: 26182  
Duplicate atom serial number found: 26184  
Duplicate atom serial number found: 26186  
Duplicate atom serial number found: 26188  
Ignored bad PDB record found on line 88211  
ATOM 2618a OWS SOL W9079 -87.880 -55.178 70.193 1.00 0.00 O  
  
Ignored bad PDB record found on line 88212  
ATOM 2618c HWS SOL W9079 -87.683 -54.987 71.110 1.00 0.00 H  
  
Ignored bad PDB record found on line 88213  
ATOM 2618e HWS SOL W9079 -87.915 -56.133 70.149 1.00 0.00 H  
  
Duplicate atom serial number found: 26190  
Duplicate atom serial number found: 26192  
Duplicate atom serial number found: 26194  
Duplicate atom serial number found: 26196  
Duplicate atom serial number found: 26198  
Ignored bad PDB record found on line 88219  
ATOM 2619a HWS SOL W9081 -82.541 -15.912 85.850 1.00 0.00 H  
  
Ignored bad PDB record found on line 88220  
ATOM 2619c OWS SOL W9082 -86.988 -28.894 66.433 1.00 0.00 O  
  
Ignored bad PDB record found on line 88221  
ATOM 2619e HWS SOL W9082 -87.326 -28.082 66.810 1.00 0.00 H  
  
Ignored bad PDB record found on line 88222  
ATOM 261a0 HWS SOL W9082 -86.188 -28.633 65.977 1.00 0.00 H  
  
Ignored bad PDB record found on line 88223  
ATOM 261a2 OWS SOL W9083 -82.645 -33.101 78.611 1.00 0.00 O  
  
46 messages similar to the above omitted  
Duplicate atom serial number found: 26200  
Duplicate atom serial number found: 26202  
Duplicate atom serial number found: 26204  
Duplicate atom serial number found: 26206  
Duplicate atom serial number found: 26208  
Ignored bad PDB record found on line 88275  
ATOM 2620a HWS SOL W9100 -86.844 -36.195 72.643 1.00 0.00 H  
  
Ignored bad PDB record found on line 88276  
ATOM 2620c HWS SOL W9100 -85.616 -37.010 72.990 1.00 0.00 H  
  
Ignored bad PDB record found on line 88277  
ATOM 2620e OWS SOL W9101 -80.749 -19.832 70.434 1.00 0.00 O  
  
Duplicate atom serial number found: 26210  
Duplicate atom serial number found: 26212  
Duplicate atom serial number found: 26214  
Duplicate atom serial number found: 26216  
Duplicate atom serial number found: 26218  
Ignored bad PDB record found on line 88283  
ATOM 2621a OWS SOL W9103 -79.277 -44.076 81.989 1.00 0.00 O  
  
Ignored bad PDB record found on line 88284  
ATOM 2621c HWS SOL W9103 -78.378 -43.846 82.226 1.00 0.00 H  
  
Ignored bad PDB record found on line 88285  
ATOM 2621e HWS SOL W9103 -79.707 -44.255 82.826 1.00 0.00 H  
  
Duplicate atom serial number found: 26220  
Duplicate atom serial number found: 26222  
Duplicate atom serial number found: 26224  
Duplicate atom serial number found: 26226  
Duplicate atom serial number found: 26228  
Ignored bad PDB record found on line 88291  
ATOM 2622a HWS SOL W9105 -63.330 -30.757 86.139 1.00 0.00 H  
  
Ignored bad PDB record found on line 88292  
ATOM 2622c OWS SOL W9106 -83.827 -1.510 84.930 1.00 0.00 O  
  
Ignored bad PDB record found on line 88293  
ATOM 2622e HWS SOL W9106 -82.899 -1.711 85.056 1.00 0.00 H  
  
Duplicate atom serial number found: 26230  
Duplicate atom serial number found: 26232  
Duplicate atom serial number found: 26234  
Duplicate atom serial number found: 26236  
Duplicate atom serial number found: 26238  
Ignored bad PDB record found on line 88299  
ATOM 2623a HWS SOL W9108 71.903 -8.430 -81.290 1.00 0.00 H  
  
Ignored bad PDB record found on line 88300  
ATOM 2623c HWS SOL W9108 70.479 -8.201 -80.829 1.00 0.00 H  
  
Ignored bad PDB record found on line 88301  
ATOM 2623e OWS SOL W9109 86.932 -36.121 71.327 1.00 0.00 O  
  
Duplicate atom serial number found: 26240  
Duplicate atom serial number found: 26242  
Duplicate atom serial number found: 26244  
Duplicate atom serial number found: 26246  
Duplicate atom serial number found: 26248  
Ignored bad PDB record found on line 88307  
ATOM 2624a OWS SOL W9111 75.894 -27.756 -89.808 1.00 0.00 O  
  
Ignored bad PDB record found on line 88308  
ATOM 2624c HWS SOL W9111 75.499 -27.684 -90.677 1.00 0.00 H  
  
Ignored bad PDB record found on line 88309  
ATOM 2624e HWS SOL W9111 75.825 -26.876 -89.439 1.00 0.00 H  
  
Duplicate atom serial number found: 26250  
Duplicate atom serial number found: 26252  
Duplicate atom serial number found: 26254  
Duplicate atom serial number found: 26256  
Duplicate atom serial number found: 26258  
Ignored bad PDB record found on line 88315  
ATOM 2625a HWS SOL W9113 85.330 -12.579 63.367 1.00 0.00 H  
  
Ignored bad PDB record found on line 88316  
ATOM 2625c OWS SOL W9114 -68.842 -40.083 62.163 1.00 0.00 O  
  
Ignored bad PDB record found on line 88317  
ATOM 2625e HWS SOL W9114 -68.927 -39.175 62.454 1.00 0.00 H  
  
Duplicate atom serial number found: 26260  
Duplicate atom serial number found: 26262  
Duplicate atom serial number found: 26264  
Duplicate atom serial number found: 26266  
Duplicate atom serial number found: 26268  
Ignored bad PDB record found on line 88323  
ATOM 2626a HWS SOL W9116 90.471 -36.953 88.950 1.00 0.00 H  
  
Ignored bad PDB record found on line 88324  
ATOM 2626c HWS SOL W9116 89.718 -38.221 89.290 1.00 0.00 H  
  
Ignored bad PDB record found on line 88325  
ATOM 2626e OWS SOL W9117 87.300 -25.048 58.916 1.00 0.00 O  
  
Duplicate atom serial number found: 26270  
Duplicate atom serial number found: 26272  
Duplicate atom serial number found: 26274  
Duplicate atom serial number found: 26276  
Duplicate atom serial number found: 26278  
Ignored bad PDB record found on line 88331  
ATOM 2627a OWS SOL W9119 -89.242 -43.055 -73.007 1.00 0.00 O  
  
Ignored bad PDB record found on line 88332  
ATOM 2627c HWS SOL W9119 -89.184 -42.900 -73.950 1.00 0.00 H  
  
Ignored bad PDB record found on line 88333  
ATOM 2627e HWS SOL W9119 -88.944 -42.237 -72.610 1.00 0.00 H  
  
Duplicate atom serial number found: 26280  
Duplicate atom serial number found: 26282  
Duplicate atom serial number found: 26284  
Duplicate atom serial number found: 26286  
Duplicate atom serial number found: 26288  
Ignored bad PDB record found on line 88339  
ATOM 2628a HWS SOL W9121 -82.228 -5.654 58.037 1.00 0.00 H  
  
Ignored bad PDB record found on line 88340  
ATOM 2628c OWS SOL W9122 71.818 -3.182 83.079 1.00 0.00 O  
  
Ignored bad PDB record found on line 88341  
ATOM 2628e HWS SOL W9122 71.721 -2.677 83.887 1.00 0.00 H  
  
Duplicate atom serial number found: 26290  
Duplicate atom serial number found: 26292  
Duplicate atom serial number found: 26294  
Duplicate atom serial number found: 26296  
Duplicate atom serial number found: 26298  
Ignored bad PDB record found on line 88347  
ATOM 2629a HWS SOL W9124 -85.043 -20.413 76.364 1.00 0.00 H  
  
Ignored bad PDB record found on line 88348  
ATOM 2629c HWS SOL W9124 -85.790 -19.204 76.884 1.00 0.00 H  
  
Ignored bad PDB record found on line 88349  
ATOM 2629e OWS SOL W9125 80.099 -55.979 88.816 1.00 0.00 O  
  
Ignored bad PDB record found on line 88350  
ATOM 262a0 HWS SOL W9125 80.411 -55.709 87.952 1.00 0.00 H  
  
Ignored bad PDB record found on line 88351  
ATOM 262a2 HWS SOL W9125 79.983 -55.159 89.296 1.00 0.00 H  
  
46 messages similar to the above omitted  
Duplicate atom serial number found: 26300  
Duplicate atom serial number found: 26302  
Duplicate atom serial number found: 26304  
Duplicate atom serial number found: 26306  
Duplicate atom serial number found: 26308  
Ignored bad PDB record found on line 88403  
ATOM 2630a OWS SOL W9143 88.693 -29.733 -76.260 1.00 0.00 O  
  
Ignored bad PDB record found on line 88404  
ATOM 2630c HWS SOL W9143 89.056 -30.401 -76.842 1.00 0.00 H  
  
Ignored bad PDB record found on line 88405  
ATOM 2630e HWS SOL W9143 88.023 -29.295 -76.786 1.00 0.00 H  
  
Duplicate atom serial number found: 26310  
Duplicate atom serial number found: 26312  
Duplicate atom serial number found: 26314  
Duplicate atom serial number found: 26316  
Duplicate atom serial number found: 26318  
Ignored bad PDB record found on line 88411  
ATOM 2631a HWS SOL W9145 -74.344 -54.713 -83.819 1.00 0.00 H  
  
Ignored bad PDB record found on line 88412  
ATOM 2631c OWS SOL W9146 84.312 -24.138 78.703 1.00 0.00 O  
  
Ignored bad PDB record found on line 88413  
ATOM 2631e HWS SOL W9146 85.153 -23.682 78.666 1.00 0.00 H  
  
Duplicate atom serial number found: 26320  
Duplicate atom serial number found: 26322  
Duplicate atom serial number found: 26324  
Duplicate atom serial number found: 26326  
Duplicate atom serial number found: 26328  
Ignored bad PDB record found on line 88419  
ATOM 2632a HWS SOL W9148 -82.353 -22.363 86.905 1.00 0.00 H  
  
Ignored bad PDB record found on line 88420  
ATOM 2632c HWS SOL W9148 -82.886 -23.744 87.224 1.00 0.00 H  
  
Ignored bad PDB record found on line 88421  
ATOM 2632e OWS SOL W9149 -72.900 -34.224 73.864 1.00 0.00 O  
  
Duplicate atom serial number found: 26330  
Duplicate atom serial number found: 26332  
Duplicate atom serial number found: 26334  
Duplicate atom serial number found: 26336  
Duplicate atom serial number found: 26338  
Ignored bad PDB record found on line 88427  
ATOM 2633a OWS SOL W9151 -69.115 -23.780 81.898 1.00 0.00 O  
  
Ignored bad PDB record found on line 88428  
ATOM 2633c HWS SOL W9151 -69.644 -23.451 81.171 1.00 0.00 H  
  
Ignored bad PDB record found on line 88429  
ATOM 2633e HWS SOL W9151 -69.133 -24.732 81.797 1.00 0.00 H  
  
Duplicate atom serial number found: 26340  
Duplicate atom serial number found: 26342  
Duplicate atom serial number found: 26344  
Duplicate atom serial number found: 26346  
Duplicate atom serial number found: 26348  
Ignored bad PDB record found on line 88435  
ATOM 2634a HWS SOL W9153 81.608 -5.703 -82.545 1.00 0.00 H  
  
Ignored bad PDB record found on line 88436  
ATOM 2634c OWS SOL W9154 81.677 -36.757 -75.388 1.00 0.00 O  
  
Ignored bad PDB record found on line 88437  
ATOM 2634e HWS SOL W9154 81.828 -36.068 -76.035 1.00 0.00 H  
  
Duplicate atom serial number found: 26350  
Duplicate atom serial number found: 26352  
Duplicate atom serial number found: 26354  
Duplicate atom serial number found: 26356  
Duplicate atom serial number found: 26358  
Ignored bad PDB record found on line 88443  
ATOM 2635a HWS SOL W9156 -86.471 -5.884 77.001 1.00 0.00 H  
  
Ignored bad PDB record found on line 88444  
ATOM 2635c HWS SOL W9156 -86.978 -7.208 76.470 1.00 0.00 H  
  
Ignored bad PDB record found on line 88445  
ATOM 2635e OWS SOL W9157 88.347 -24.945 83.535 1.00 0.00 O  
  
Duplicate atom serial number found: 26360  
Duplicate atom serial number found: 26362  
Duplicate atom serial number found: 26364  
Duplicate atom serial number found: 26366  
Duplicate atom serial number found: 26368  
Ignored bad PDB record found on line 88451  
ATOM 2636a OWS SOL W9159 -83.235 -25.091 79.688 1.00 0.00 O  
  
Ignored bad PDB record found on line 88452  
ATOM 2636c HWS SOL W9159 -83.466 -24.892 80.595 1.00 0.00 H  
  
Ignored bad PDB record found on line 88453  
ATOM 2636e HWS SOL W9159 -82.487 -24.523 79.501 1.00 0.00 H  
  
Duplicate atom serial number found: 26370  
Duplicate atom serial number found: 26372  
Duplicate atom serial number found: 26374  
Duplicate atom serial number found: 26376  
Duplicate atom serial number found: 26378  
Ignored bad PDB record found on line 88459  
ATOM 2637a HWS SOL W9161 88.916 -29.860 -83.659 1.00 0.00 H  
  
Ignored bad PDB record found on line 88460  
ATOM 2637c OWS SOL W9162 87.420 -31.840 79.031 1.00 0.00 O  
  
Ignored bad PDB record found on line 88461  
ATOM 2637e HWS SOL W9162 86.703 -31.358 79.442 1.00 0.00 H  
  
Duplicate atom serial number found: 26380  
Duplicate atom serial number found: 26382  
Duplicate atom serial number found: 26384  
Duplicate atom serial number found: 26386  
Duplicate atom serial number found: 26388  
Ignored bad PDB record found on line 88467  
ATOM 2638a HWS SOL W9164 -87.724 -34.564 77.427 1.00 0.00 H  
  
Ignored bad PDB record found on line 88468  
ATOM 2638c HWS SOL W9164 -88.621 -35.319 76.470 1.00 0.00 H  
  
Ignored bad PDB record found on line 88469  
ATOM 2638e OWS SOL W9165 82.386 -22.583 85.561 1.00 0.00 O  
  
Duplicate atom serial number found: 26390  
Duplicate atom serial number found: 26392  
Duplicate atom serial number found: 26394  
Duplicate atom serial number found: 26396  
Duplicate atom serial number found: 26398  
Ignored bad PDB record found on line 88475  
ATOM 2639a OWS SOL W9167 89.447 -18.610 72.558 1.00 0.00 O  
  
Ignored bad PDB record found on line 88476  
ATOM 2639c HWS SOL W9167 89.759 -17.716 72.700 1.00 0.00 H  
  
Ignored bad PDB record found on line 88477  
ATOM 2639e HWS SOL W9167 89.540 -19.035 73.411 1.00 0.00 H  
  
Ignored bad PDB record found on line 88478  
ATOM 263a0 OWS SOL W9168 83.405 -26.662 79.539 1.00 0.00 O  
  
Ignored bad PDB record found on line 88479  
ATOM 263a2 HWS SOL W9168 83.639 -25.781 79.832 1.00 0.00 H  
  
46 messages similar to the above omitted  
Duplicate atom serial number found: 26400  
Duplicate atom serial number found: 26402  
Duplicate atom serial number found: 26404  
Duplicate atom serial number found: 26406  
Duplicate atom serial number found: 26408  
Ignored bad PDB record found on line 88531  
ATOM 2640a HWS SOL W9185 -73.461 -29.828 -89.216 1.00 0.00 H  
  
Ignored bad PDB record found on line 88532  
ATOM 2640c OWS SOL W9186 -88.216 -41.387 86.996 1.00 0.00 O  
  
Ignored bad PDB record found on line 88533  
ATOM 2640e HWS SOL W9186 -87.271 -41.416 86.851 1.00 0.00 H  
  
Duplicate atom serial number found: 26410  
Duplicate atom serial number found: 26412  
Duplicate atom serial number found: 26414  
Duplicate atom serial number found: 26416  
Duplicate atom serial number found: 26418  
Ignored bad PDB record found on line 88539  
ATOM 2641a HWS SOL W9188 81.664 -30.045 80.256 1.00 0.00 H  
  
Ignored bad PDB record found on line 88540  
ATOM 2641c HWS SOL W9188 83.004 -29.345 80.322 1.00 0.00 H  
  
Ignored bad PDB record found on line 88541  
ATOM 2641e OWS SOL W9189 -82.440 -17.489 88.529 1.00 0.00 O  
  
Duplicate atom serial number found: 26420  
Duplicate atom serial number found: 26422  
Duplicate atom serial number found: 26424  
Duplicate atom serial number found: 26426  
Duplicate atom serial number found: 26428  
Ignored bad PDB record found on line 88547  
ATOM 2642a OWS SOL W9191 -56.629 -27.507 82.369 1.00 0.00 O  
  
Ignored bad PDB record found on line 88548  
ATOM 2642c HWS SOL W9191 -56.695 -28.087 81.610 1.00 0.00 H  
  
Ignored bad PDB record found on line 88549  
ATOM 2642e HWS SOL W9191 -56.042 -26.807 82.086 1.00 0.00 H  
  
Duplicate atom serial number found: 26430  
Duplicate atom serial number found: 26432  
Duplicate atom serial number found: 26434  
Duplicate atom serial number found: 26436  
Duplicate atom serial number found: 26438  
Ignored bad PDB record found on line 88555  
ATOM 2643a HWS SOL W9193 75.366 10.615 -85.578 1.00 0.00 H  
  
Ignored bad PDB record found on line 88556  
ATOM 2643c OWS SOL W9194 -70.694 -1.447 -79.860 1.00 0.00 O  
  
Ignored bad PDB record found on line 88557  
ATOM 2643e HWS SOL W9194 -71.210 -0.709 -80.185 1.00 0.00 H  
  
Duplicate atom serial number found: 26440  
Duplicate atom serial number found: 26442  
Duplicate atom serial number found: 26444  
Duplicate atom serial number found: 26446  
Duplicate atom serial number found: 26448  
Ignored bad PDB record found on line 88563  
ATOM 2644a HWS SOL W9196 -84.483 9.004 -88.555 1.00 0.00 H  
  
Ignored bad PDB record found on line 88564  
ATOM 2644c HWS SOL W9196 -83.362 8.254 -87.867 1.00 0.00 H  
  
Ignored bad PDB record found on line 88565  
ATOM 2644e OWS SOL W9197 -83.093 -2.066 -82.251 1.00 0.00 O  
  
Duplicate atom serial number found: 26450  
Duplicate atom serial number found: 26452  
Duplicate atom serial number found: 26454  
Duplicate atom serial number found: 26456  
Duplicate atom serial number found: 26458  
Ignored bad PDB record found on line 88571  
ATOM 2645a OWS SOL W9199 -75.918 -0.074 -56.618 1.00 0.00 O  
  
Ignored bad PDB record found on line 88572  
ATOM 2645c HWS SOL W9199 -74.966 0.023 -56.641 1.00 0.00 H  
  
Ignored bad PDB record found on line 88573  
ATOM 2645e HWS SOL W9199 -76.248 0.689 -57.093 1.00 0.00 H  
  
Duplicate atom serial number found: 26460  
Duplicate atom serial number found: 26462  
Duplicate atom serial number found: 26464  
Duplicate atom serial number found: 26466  
Duplicate atom serial number found: 26468  
Ignored bad PDB record found on line 88579  
ATOM 2646a HWS SOL W9201 -68.832 -6.327 84.952 1.00 0.00 H  
  
Ignored bad PDB record found on line 88580  
ATOM 2646c OWS SOL W9202 -77.513 -10.060 -67.494 1.00 0.00 O  
  
Ignored bad PDB record found on line 88581  
ATOM 2646e HWS SOL W9202 -77.650 -10.509 -66.659 1.00 0.00 H  
  
Duplicate atom serial number found: 26470  
Duplicate atom serial number found: 26472  
Duplicate atom serial number found: 26474  
Duplicate atom serial number found: 26476  
Duplicate atom serial number found: 26478  
Ignored bad PDB record found on line 88587  
ATOM 2647a HWS SOL W9204 71.272 3.564 -72.151 1.00 0.00 H  
  
Ignored bad PDB record found on line 88588  
ATOM 2647c HWS SOL W9204 70.926 4.155 -73.501 1.00 0.00 H  
  
Ignored bad PDB record found on line 88589  
ATOM 2647e OWS SOL W9205 -65.324 20.117 -82.544 1.00 0.00 O  
  
Duplicate atom serial number found: 26480  
Duplicate atom serial number found: 26482  
Duplicate atom serial number found: 26484  
Duplicate atom serial number found: 26486  
Duplicate atom serial number found: 26488  
Ignored bad PDB record found on line 88595  
ATOM 2648a OWS SOL W9207 -70.681 6.542 82.928 1.00 0.00 O  
  
Ignored bad PDB record found on line 88596  
ATOM 2648c HWS SOL W9207 -71.032 5.790 82.451 1.00 0.00 H  
  
Ignored bad PDB record found on line 88597  
ATOM 2648e HWS SOL W9207 -70.586 7.224 82.264 1.00 0.00 H  
  
Duplicate atom serial number found: 26490  
Duplicate atom serial number found: 26492  
Duplicate atom serial number found: 26494  
Duplicate atom serial number found: 26496  
Duplicate atom serial number found: 26498  
Ignored bad PDB record found on line 88603  
ATOM 2649a HWS SOL W9209 -89.741 0.252 81.961 1.00 0.00 H  
  
Ignored bad PDB record found on line 88604  
ATOM 2649c OWS SOL W9210 -87.703 -15.236 -57.056 1.00 0.00 O  
  
Ignored bad PDB record found on line 88605  
ATOM 2649e HWS SOL W9210 -87.623 -15.862 -57.776 1.00 0.00 H  
  
Ignored bad PDB record found on line 88606  
ATOM 264a0 HWS SOL W9210 -87.166 -14.491 -57.325 1.00 0.00 H  
  
Ignored bad PDB record found on line 88607  
ATOM 264a2 OWS SOL W9211 80.960 -16.960 -69.809 1.00 0.00 O  
  
46 messages similar to the above omitted  
Duplicate atom serial number found: 26500  
Duplicate atom serial number found: 26502  
Duplicate atom serial number found: 26504  
Duplicate atom serial number found: 26506  
Duplicate atom serial number found: 26508  
Ignored bad PDB record found on line 88659  
ATOM 2650a HWS SOL W9228 80.881 0.245 76.847 1.00 0.00 H  
  
Ignored bad PDB record found on line 88660  
ATOM 2650c HWS SOL W9228 81.320 0.578 78.257 1.00 0.00 H  
  
Ignored bad PDB record found on line 88661  
ATOM 2650e OWS SOL W9229 -72.388 -14.046 88.069 1.00 0.00 O  
  
Duplicate atom serial number found: 26510  
Duplicate atom serial number found: 26512  
Duplicate atom serial number found: 26514  
Duplicate atom serial number found: 26516  
Duplicate atom serial number found: 26518  
Ignored bad PDB record found on line 88667  
ATOM 2651a OWS SOL W9231 -81.986 5.373 -66.406 1.00 0.00 O  
  
Ignored bad PDB record found on line 88668  
ATOM 2651c HWS SOL W9231 -82.924 5.187 -66.396 1.00 0.00 H  
  
Ignored bad PDB record found on line 88669  
ATOM 2651e HWS SOL W9231 -81.824 5.747 -67.272 1.00 0.00 H  
  
Duplicate atom serial number found: 26520  
Duplicate atom serial number found: 26522  
Duplicate atom serial number found: 26524  
Duplicate atom serial number found: 26526  
Duplicate atom serial number found: 26528  
Ignored bad PDB record found on line 88675  
ATOM 2652a HWS SOL W9233 -86.387 -24.768 -72.335 1.00 0.00 H  
  
Ignored bad PDB record found on line 88676  
ATOM 2652c OWS SOL W9234 -81.450 17.947 -75.848 1.00 0.00 O  
  
Ignored bad PDB record found on line 88677  
ATOM 2652e HWS SOL W9234 -82.138 17.650 -76.444 1.00 0.00 H  
  
Duplicate atom serial number found: 26530  
Duplicate atom serial number found: 26532  
Duplicate atom serial number found: 26534  
Duplicate atom serial number found: 26536  
Duplicate atom serial number found: 26538  
Ignored bad PDB record found on line 88683  
ATOM 2653a HWS SOL W9236 -67.507 12.941 -87.227 1.00 0.00 H  
  
Ignored bad PDB record found on line 88684  
ATOM 2653c HWS SOL W9236 -68.844 13.320 -87.827 1.00 0.00 H  
  
Ignored bad PDB record found on line 88685  
ATOM 2653e OWS SOL W9237 88.739 26.126 86.482 1.00 0.00 O  
  
Duplicate atom serial number found: 26540  
Duplicate atom serial number found: 26542  
Duplicate atom serial number found: 26544  
Duplicate atom serial number found: 26546  
Duplicate atom serial number found: 26548  
Ignored bad PDB record found on line 88691  
ATOM 2654a OWS SOL W9239 -72.010 5.365 -46.215 1.00 0.00 O  
  
Ignored bad PDB record found on line 88692  
ATOM 2654c HWS SOL W9239 -72.272 6.012 -46.870 1.00 0.00 H  
  
Ignored bad PDB record found on line 88693  
ATOM 2654e HWS SOL W9239 -72.649 4.659 -46.307 1.00 0.00 H  
  
Duplicate atom serial number found: 26550  
Duplicate atom serial number found: 26552  
Duplicate atom serial number found: 26554  
Duplicate atom serial number found: 26556  
Duplicate atom serial number found: 26558  
Ignored bad PDB record found on line 88699  
ATOM 2655a HWS SOL W9241 -81.618 14.982 -74.836 1.00 0.00 H  
  
Ignored bad PDB record found on line 88700  
ATOM 2655c OWS SOL W9243 -81.848 19.936 -57.085 1.00 0.00 O  
  
Ignored bad PDB record found on line 88701  
ATOM 2655e HWS SOL W9243 -81.289 19.298 -57.529 1.00 0.00 H  
  
Duplicate atom serial number found: 26560  
Duplicate atom serial number found: 26562  
Duplicate atom serial number found: 26564  
Duplicate atom serial number found: 26566  
Duplicate atom serial number found: 26568  
Ignored bad PDB record found on line 88707  
ATOM 2656a HWS SOL W9245 -90.423 -18.819 -78.739 1.00 0.00 H  
  
Ignored bad PDB record found on line 88708  
ATOM 2656c HWS SOL W9245 -89.276 -18.872 -79.725 1.00 0.00 H  
  
Ignored bad PDB record found on line 88709  
ATOM 2656e OWS SOL W9246 85.834 3.844 -78.655 1.00 0.00 O  
  
Duplicate atom serial number found: 26570  
Duplicate atom serial number found: 26572  
Duplicate atom serial number found: 26574  
Duplicate atom serial number found: 26576  
Duplicate atom serial number found: 26578  
Ignored bad PDB record found on line 88715  
ATOM 2657a OWS SOL W9248 72.577 -15.427 -74.856 1.00 0.00 O  
  
Ignored bad PDB record found on line 88716  
ATOM 2657c HWS SOL W9248 73.296 -15.159 -75.428 1.00 0.00 H  
  
Ignored bad PDB record found on line 88717  
ATOM 2657e HWS SOL W9248 72.484 -14.706 -74.233 1.00 0.00 H  
  
Duplicate atom serial number found: 26580  
Duplicate atom serial number found: 26582  
Duplicate atom serial number found: 26584  
Duplicate atom serial number found: 26586  
Duplicate atom serial number found: 26588  
Ignored bad PDB record found on line 88723  
ATOM 2658a HWS SOL W9250 89.592 -12.416 -72.634 1.00 0.00 H  
  
Ignored bad PDB record found on line 88724  
ATOM 2658c OWS SOL W9251 81.543 -8.018 -74.384 1.00 0.00 O  
  
Ignored bad PDB record found on line 88725  
ATOM 2658e HWS SOL W9251 80.653 -7.884 -74.711 1.00 0.00 H  
  
Duplicate atom serial number found: 26590  
Duplicate atom serial number found: 26592  
Duplicate atom serial number found: 26594  
Duplicate atom serial number found: 26596  
Duplicate atom serial number found: 26598  
Ignored bad PDB record found on line 88731  
ATOM 2659a HWS SOL W9253 -87.080 -5.939 79.946 1.00 0.00 H  
  
Ignored bad PDB record found on line 88732  
ATOM 2659c HWS SOL W9253 -85.590 -5.691 80.049 1.00 0.00 H  
  
Ignored bad PDB record found on line 88733  
ATOM 2659e OWS SOL W9254 83.338 -2.820 -74.815 1.00 0.00 O  
  
Ignored bad PDB record found on line 88734  
ATOM 265a0 HWS SOL W9254 83.414 -3.739 -74.560 1.00 0.00 H  
  
Ignored bad PDB record found on line 88735  
ATOM 265a2 HWS SOL W9254 82.414 -2.609 -74.682 1.00 0.00 H  
  
46 messages similar to the above omitted  
Duplicate atom serial number found: 26600  
Duplicate atom serial number found: 26602  
Duplicate atom serial number found: 26604  
Duplicate atom serial number found: 26606  
Duplicate atom serial number found: 26608  
Ignored bad PDB record found on line 88787  
ATOM 2660a OWS SOL W9272 -82.256 -2.433 89.515 1.00 0.00 O  
  
Ignored bad PDB record found on line 88788  
ATOM 2660c HWS SOL W9272 -81.557 -2.942 89.103 1.00 0.00 H  
  
Ignored bad PDB record found on line 88789  
ATOM 2660e HWS SOL W9272 -82.609 -1.894 88.808 1.00 0.00 H  
  
Duplicate atom serial number found: 26610  
Duplicate atom serial number found: 26612  
Duplicate atom serial number found: 26614  
Duplicate atom serial number found: 26616  
Duplicate atom serial number found: 26618  
Ignored bad PDB record found on line 88795  
ATOM 2661a HWS SOL W9274 -57.927 -3.368 -77.263 1.00 0.00 H  
  
Ignored bad PDB record found on line 88796  
ATOM 2661c OWS SOL W9275 -84.853 -3.609 -72.833 1.00 0.00 O  
  
Ignored bad PDB record found on line 88797  
ATOM 2661e HWS SOL W9275 -85.333 -3.057 -72.216 1.00 0.00 H  
  
Duplicate atom serial number found: 26620  
Duplicate atom serial number found: 26622  
Duplicate atom serial number found: 26624  
Duplicate atom serial number found: 26626  
Duplicate atom serial number found: 26628  
Ignored bad PDB record found on line 88803  
ATOM 2662a HWS SOL W9277 -80.787 -14.683 89.393 1.00 0.00 H  
  
Ignored bad PDB record found on line 88804  
ATOM 2662c HWS SOL W9277 -81.953 -14.641 88.429 1.00 0.00 H  
  
Ignored bad PDB record found on line 88805  
ATOM 2662e OWS SOL W9278 75.976 -7.351 -52.149 1.00 0.00 O  
  
Duplicate atom serial number found: 26630  
Duplicate atom serial number found: 26632  
Duplicate atom serial number found: 26634  
Duplicate atom serial number found: 26636  
Duplicate atom serial number found: 26638  
Ignored bad PDB record found on line 88811  
ATOM 2663a OWS SOL W9280 88.213 2.506 -65.344 1.00 0.00 O  
  
Ignored bad PDB record found on line 88812  
ATOM 2663c HWS SOL W9280 88.794 3.267 -65.326 1.00 0.00 H  
  
Ignored bad PDB record found on line 88813  
ATOM 2663e HWS SOL W9280 88.014 2.378 -66.271 1.00 0.00 H  
  
Duplicate atom serial number found: 26640  
Duplicate atom serial number found: 26642  
Duplicate atom serial number found: 26644  
Duplicate atom serial number found: 26646  
Duplicate atom serial number found: 26648  
Ignored bad PDB record found on line 88819  
ATOM 2664a HWS SOL W9282 85.920 19.387 -70.649 1.00 0.00 H  
  
Ignored bad PDB record found on line 88820  
ATOM 2664c OWS SOL W9283 -86.748 12.070 -68.691 1.00 0.00 O  
  
Ignored bad PDB record found on line 88821  
ATOM 2664e HWS SOL W9283 -86.342 12.923 -68.536 1.00 0.00 H  
  
Duplicate atom serial number found: 26650  
Duplicate atom serial number found: 26652  
Duplicate atom serial number found: 26654  
Duplicate atom serial number found: 26656  
Duplicate atom serial number found: 26658  
Ignored bad PDB record found on line 88827  
ATOM 2665a HWS SOL W9285 -76.698 -1.807 -68.739 1.00 0.00 H  
  
Ignored bad PDB record found on line 88828  
ATOM 2665c HWS SOL W9285 -77.320 -2.478 -69.946 1.00 0.00 H  
  
Ignored bad PDB record found on line 88829  
ATOM 2665e OWS SOL W9286 78.257 -26.302 -75.245 1.00 0.00 O  
  
Duplicate atom serial number found: 26660  
Duplicate atom serial number found: 26662  
Duplicate atom serial number found: 26664  
Duplicate atom serial number found: 26666  
Duplicate atom serial number found: 26668  
Ignored bad PDB record found on line 88835  
ATOM 2666a OWS SOL W9288 -71.613 13.923 -63.209 1.00 0.00 O  
  
Ignored bad PDB record found on line 88836  
ATOM 2666c HWS SOL W9288 -72.495 13.627 -62.984 1.00 0.00 H  
  
Ignored bad PDB record found on line 88837  
ATOM 2666e HWS SOL W9288 -71.036 13.237 -62.873 1.00 0.00 H  
  
Duplicate atom serial number found: 26670  
Duplicate atom serial number found: 26672  
Duplicate atom serial number found: 26674  
Duplicate atom serial number found: 26676  
Duplicate atom serial number found: 26678  
Ignored bad PDB record found on line 88843  
ATOM 2667a HWS SOL W9290 80.707 13.489 -75.381 1.00 0.00 H  
  
Ignored bad PDB record found on line 88844  
ATOM 2667c OWS SOL W9291 -81.024 -5.881 79.543 1.00 0.00 O  
  
Ignored bad PDB record found on line 88845  
ATOM 2667e HWS SOL W9291 -81.742 -6.511 79.609 1.00 0.00 H  
  
Duplicate atom serial number found: 26680  
Duplicate atom serial number found: 26682  
Duplicate atom serial number found: 26684  
Duplicate atom serial number found: 26686  
Duplicate atom serial number found: 26688  
Ignored bad PDB record found on line 88851  
ATOM 2668a HWS SOL W9293 87.699 36.122 -85.771 1.00 0.00 H  
  
Ignored bad PDB record found on line 88852  
ATOM 2668c HWS SOL W9293 87.606 35.981 -87.275 1.00 0.00 H  
  
Ignored bad PDB record found on line 88853  
ATOM 2668e OWS SOL W9294 -81.875 15.561 -80.459 1.00 0.00 O  
  
Duplicate atom serial number found: 26690  
Duplicate atom serial number found: 26692  
Duplicate atom serial number found: 26694  
Duplicate atom serial number found: 26696  
Duplicate atom serial number found: 26698  
Ignored bad PDB record found on line 88859  
ATOM 2669a OWS SOL W9296 81.261 -19.715 -64.430 1.00 0.00 O  
  
Ignored bad PDB record found on line 88860  
ATOM 2669c HWS SOL W9296 80.604 -19.349 -65.022 1.00 0.00 H  
  
Ignored bad PDB record found on line 88861  
ATOM 2669e HWS SOL W9296 81.292 -20.645 -64.652 1.00 0.00 H  
  
Ignored bad PDB record found on line 88862  
ATOM 266a0 OWS SOL W9297 -50.840 18.762 -76.071 1.00 0.00 O  
  
Ignored bad PDB record found on line 88863  
ATOM 266a2 HWS SOL W9297 -51.457 18.423 -75.422 1.00 0.00 H  
  
46 messages similar to the above omitted  
Duplicate atom serial number found: 26700  
Duplicate atom serial number found: 26702  
Duplicate atom serial number found: 26704  
Duplicate atom serial number found: 26706  
Duplicate atom serial number found: 26708  
Ignored bad PDB record found on line 88915  
ATOM 2670a HWS SOL W9314 -75.829 0.596 -68.763 1.00 0.00 H  
  
Ignored bad PDB record found on line 88916  
ATOM 2670c OWS SOL W9315 89.986 -4.511 82.071 1.00 0.00 O  
  
Ignored bad PDB record found on line 88917  
ATOM 2670e HWS SOL W9315 90.017 -4.317 81.134 1.00 0.00 H  
  
Duplicate atom serial number found: 26710  
Duplicate atom serial number found: 26712  
Duplicate atom serial number found: 26714  
Duplicate atom serial number found: 26716  
Duplicate atom serial number found: 26718  
Ignored bad PDB record found on line 88923  
ATOM 2671a HWS SOL W9317 -77.601 -13.789 -59.844 1.00 0.00 H  
  
Ignored bad PDB record found on line 88924  
ATOM 2671c HWS SOL W9317 -78.055 -13.314 -58.480 1.00 0.00 H  
  
Ignored bad PDB record found on line 88925  
ATOM 2671e OWS SOL W9318 -60.179 -6.658 -87.458 1.00 0.00 O  
  
Duplicate atom serial number found: 26720  
Duplicate atom serial number found: 26722  
Duplicate atom serial number found: 26724  
Duplicate atom serial number found: 26726  
Duplicate atom serial number found: 26728  
Ignored bad PDB record found on line 88931  
ATOM 2672a OWS SOL W9320 -74.765 -14.808 82.270 1.00 0.00 O  
  
Ignored bad PDB record found on line 88932  
ATOM 2672c HWS SOL W9320 -74.426 -15.455 82.890 1.00 0.00 H  
  
Ignored bad PDB record found on line 88933  
ATOM 2672e HWS SOL W9320 -74.024 -14.615 81.696 1.00 0.00 H  
  
Duplicate atom serial number found: 26730  
Duplicate atom serial number found: 26732  
Duplicate atom serial number found: 26734  
Duplicate atom serial number found: 26736  
Duplicate atom serial number found: 26738  
Ignored bad PDB record found on line 88939  
ATOM 2673a HWS SOL W9322 -82.973 4.726 76.276 1.00 0.00 H  
  
Ignored bad PDB record found on line 88940  
ATOM 2673c OWS SOL W9323 88.471 12.078 -84.712 1.00 0.00 O  
  
Ignored bad PDB record found on line 88941  
ATOM 2673e HWS SOL W9323 87.653 12.373 -85.112 1.00 0.00 H  
  
Duplicate atom serial number found: 26740  
Duplicate atom serial number found: 26742  
Duplicate atom serial number found: 26744  
Duplicate atom serial number found: 26746  
Duplicate atom serial number found: 26748  
Ignored bad PDB record found on line 88947  
ATOM 2674a HWS SOL W9325 -87.060 -2.545 -80.455 1.00 0.00 H  
  
Ignored bad PDB record found on line 88948  
ATOM 2674c HWS SOL W9325 -86.130 -3.644 -79.986 1.00 0.00 H  
  
Ignored bad PDB record found on line 88949  
ATOM 2674e OWS SOL W9326 87.798 11.422 77.796 1.00 0.00 O  
  
Duplicate atom serial number found: 26750  
Duplicate atom serial number found: 26752  
Duplicate atom serial number found: 26754  
Duplicate atom serial number found: 26756  
Duplicate atom serial number found: 26758  
Ignored bad PDB record found on line 88955  
ATOM 2675a OWS SOL W9328 79.576 30.869 89.288 1.00 0.00 O  
  
Ignored bad PDB record found on line 88956  
ATOM 2675c HWS SOL W9328 79.513 30.784 90.240 1.00 0.00 H  
  
Ignored bad PDB record found on line 88957  
ATOM 2675e HWS SOL W9328 80.216 30.206 89.030 1.00 0.00 H  
  
Duplicate atom serial number found: 26760  
Duplicate atom serial number found: 26762  
Duplicate atom serial number found: 26764  
Duplicate atom serial number found: 26766  
Duplicate atom serial number found: 26768  
Ignored bad PDB record found on line 88963  
ATOM 2676a HWS SOL W9330 -88.057 -16.830 -72.206 1.00 0.00 H  
  
Ignored bad PDB record found on line 88964  
ATOM 2676c OWS SOL W9331 -81.555 8.142 -88.884 1.00 0.00 O  
  
Ignored bad PDB record found on line 88965  
ATOM 2676e HWS SOL W9331 -81.181 7.263 -88.821 1.00 0.00 H  
  
Duplicate atom serial number found: 26770  
Duplicate atom serial number found: 26772  
Duplicate atom serial number found: 26774  
Duplicate atom serial number found: 26776  
Duplicate atom serial number found: 26778  
Ignored bad PDB record found on line 88971  
ATOM 2677a HWS SOL W9333 -90.296 -7.679 -69.837 1.00 0.00 H  
  
Ignored bad PDB record found on line 88972  
ATOM 2677c HWS SOL W9333 -89.337 -7.898 -68.686 1.00 0.00 H  
  
Ignored bad PDB record found on line 88973  
ATOM 2677e OWS SOL W9334 87.055 -31.932 -63.319 1.00 0.00 O  
  
Duplicate atom serial number found: 26780  
Duplicate atom serial number found: 26782  
Duplicate atom serial number found: 26784  
Duplicate atom serial number found: 26786  
Duplicate atom serial number found: 26788  
Ignored bad PDB record found on line 88979  
ATOM 2678a OWS SOL W9336 -79.808 -3.075 -74.635 1.00 0.00 O  
  
Ignored bad PDB record found on line 88980  
ATOM 2678c HWS SOL W9336 -80.061 -2.199 -74.928 1.00 0.00 H  
  
Ignored bad PDB record found on line 88981  
ATOM 2678e HWS SOL W9336 -80.616 -3.453 -74.286 1.00 0.00 H  
  
Duplicate atom serial number found: 26790  
Duplicate atom serial number found: 26792  
Duplicate atom serial number found: 26794  
Duplicate atom serial number found: 26796  
Duplicate atom serial number found: 26798  
Ignored bad PDB record found on line 88987  
ATOM 2679a HWS SOL W9338 74.892 -6.240 -77.257 1.00 0.00 H  
  
Ignored bad PDB record found on line 88988  
ATOM 2679c OWS SOL W9339 -58.217 13.763 -69.628 1.00 0.00 O  
  
Ignored bad PDB record found on line 88989  
ATOM 2679e HWS SOL W9339 -58.092 14.711 -69.670 1.00 0.00 H  
  
Ignored bad PDB record found on line 88990  
ATOM 267a0 HWS SOL W9339 -59.040 13.650 -69.153 1.00 0.00 H  
  
Ignored bad PDB record found on line 88991  
ATOM 267a2 OWS SOL W9340 78.410 24.080 -73.685 1.00 0.00 O  
  
46 messages similar to the above omitted  
Duplicate atom serial number found: 26800  
Duplicate atom serial number found: 26802  
Duplicate atom serial number found: 26804  
Duplicate atom serial number found: 26806  
Duplicate atom serial number found: 26808  
Ignored bad PDB record found on line 89043  
ATOM 2680a HWS SOL W9357 -85.512 0.295 -88.517 1.00 0.00 H  
  
Ignored bad PDB record found on line 89044  
ATOM 2680c HWS SOL W9357 -85.358 0.183 -87.015 1.00 0.00 H  
  
Ignored bad PDB record found on line 89045  
ATOM 2680e OWS SOL W9358 -87.769 -9.915 -80.316 1.00 0.00 O  
  
Duplicate atom serial number found: 26810  
Duplicate atom serial number found: 26812  
Duplicate atom serial number found: 26814  
Duplicate atom serial number found: 26816  
Duplicate atom serial number found: 26818  
Ignored bad PDB record found on line 89051  
ATOM 2681a OWS SOL W9360 -88.057 -1.061 -84.030 1.00 0.00 O  
  
Ignored bad PDB record found on line 89052  
ATOM 2681c HWS SOL W9360 -88.669 -0.476 -84.478 1.00 0.00 H  
  
Ignored bad PDB record found on line 89053  
ATOM 2681e HWS SOL W9360 -87.348 -0.489 -83.738 1.00 0.00 H  
  
Duplicate atom serial number found: 26820  
Duplicate atom serial number found: 26822  
Duplicate atom serial number found: 26824  
Duplicate atom serial number found: 26826  
Duplicate atom serial number found: 26828  
Ignored bad PDB record found on line 89059  
ATOM 2682a HWS SOL W9362 83.672 11.648 -86.893 1.00 0.00 H  
  
Ignored bad PDB record found on line 89060  
ATOM 2682c OWS SOL W9363 -88.588 -2.470 -89.751 1.00 0.00 O  
  
Ignored bad PDB record found on line 89061  
ATOM 2682e HWS SOL W9363 -88.049 -2.865 -89.065 1.00 0.00 H  
  
Duplicate atom serial number found: 26830  
Duplicate atom serial number found: 26832  
Duplicate atom serial number found: 26834  
Duplicate atom serial number found: 26836  
Duplicate atom serial number found: 26838  
Ignored bad PDB record found on line 89067  
ATOM 2683a HWS SOL W9365 -72.654 25.200 -80.552 1.00 0.00 H  
  
Ignored bad PDB record found on line 89068  
ATOM 2683c HWS SOL W9365 -74.155 25.063 -80.694 1.00 0.00 H  
  
Ignored bad PDB record found on line 89069  
ATOM 2683e OWS SOL W9366 -69.284 1.327 -78.019 1.00 0.00 O  
  
Duplicate atom serial number found: 26840  
Duplicate atom serial number found: 26842  
Duplicate atom serial number found: 26844  
Duplicate atom serial number found: 26846  
Duplicate atom serial number found: 26848  
Ignored bad PDB record found on line 89075  
ATOM 2684a OWS SOL W9368 89.149 6.740 -73.267 1.00 0.00 O  
  
Ignored bad PDB record found on line 89076  
ATOM 2684c HWS SOL W9368 88.694 7.169 -73.992 1.00 0.00 H  
  
Ignored bad PDB record found on line 89077  
ATOM 2684e HWS SOL W9368 89.343 7.448 -72.652 1.00 0.00 H  
  
Duplicate atom serial number found: 26850  
Duplicate atom serial number found: 26852  
Duplicate atom serial number found: 26854  
Duplicate atom serial number found: 26856  
Duplicate atom serial number found: 26858  
Ignored bad PDB record found on line 89083  
ATOM 2685a HWS SOL W9370 -70.559 -19.626 -86.540 1.00 0.00 H  
  
Ignored bad PDB record found on line 89084  
ATOM 2685c OWS SOL W9371 88.071 18.234 -74.145 1.00 0.00 O  
  
Ignored bad PDB record found on line 89085  
ATOM 2685e HWS SOL W9371 87.552 18.975 -73.832 1.00 0.00 H  
  
Duplicate atom serial number found: 26860  
Duplicate atom serial number found: 26862  
Duplicate atom serial number found: 26864  
Duplicate atom serial number found: 26866  
Duplicate atom serial number found: 26868  
Ignored bad PDB record found on line 89091  
ATOM 2686a HWS SOL W9373 82.919 -9.542 -82.064 1.00 0.00 H  
  
Ignored bad PDB record found on line 89092  
ATOM 2686c HWS SOL W9373 83.437 -8.535 -81.060 1.00 0.00 H  
  
Ignored bad PDB record found on line 89093  
ATOM 2686e OWS SOL W9374 75.596 0.448 82.648 1.00 0.00 O  
  
Duplicate atom serial number found: 26870  
Duplicate atom serial number found: 26872  
Duplicate atom serial number found: 26874  
Duplicate atom serial number found: 26876  
Duplicate atom serial number found: 26878  
Ignored bad PDB record found on line 89099  
ATOM 2687a OWS SOL W9376 -73.167 -13.389 -86.423 1.00 0.00 O  
  
Ignored bad PDB record found on line 89100  
ATOM 2687c HWS SOL W9376 -72.212 -13.384 -86.363 1.00 0.00 H  
  
Ignored bad PDB record found on line 89101  
ATOM 2687e HWS SOL W9376 -73.465 -13.364 -85.513 1.00 0.00 H  
  
Duplicate atom serial number found: 26880  
Duplicate atom serial number found: 26882  
Duplicate atom serial number found: 26884  
Duplicate atom serial number found: 26886  
Duplicate atom serial number found: 26888  
Ignored bad PDB record found on line 89107  
ATOM 2688a HWS SOL W9378 -75.699 -3.339 88.423 1.00 0.00 H  
  
Ignored bad PDB record found on line 89108  
ATOM 2688c OWS SOL W9379 -83.021 7.417 -79.879 1.00 0.00 O  
  
Ignored bad PDB record found on line 89109  
ATOM 2688e HWS SOL W9379 -82.566 7.609 -80.700 1.00 0.00 H  
  
Duplicate atom serial number found: 26890  
Duplicate atom serial number found: 26892  
Duplicate atom serial number found: 26894  
Duplicate atom serial number found: 26896  
Duplicate atom serial number found: 26898  
Ignored bad PDB record found on line 89115  
ATOM 2689a HWS SOL W9381 -77.188 13.791 -61.655 1.00 0.00 H  
  
Ignored bad PDB record found on line 89116  
ATOM 2689c HWS SOL W9381 -77.188 13.765 -63.169 1.00 0.00 H  
  
Ignored bad PDB record found on line 89117  
ATOM 2689e OWS SOL W9382 -73.412 28.847 -84.328 1.00 0.00 O  
  
Ignored bad PDB record found on line 89118  
ATOM 268a0 HWS SOL W9382 -72.576 28.796 -83.864 1.00 0.00 H  
  
Ignored bad PDB record found on line 89119  
ATOM 268a2 HWS SOL W9382 -73.497 27.998 -84.763 1.00 0.00 H  
  
46 messages similar to the above omitted  
Duplicate atom serial number found: 26900  
Duplicate atom serial number found: 26902  
Duplicate atom serial number found: 26904  
Duplicate atom serial number found: 26906  
Duplicate atom serial number found: 26908  
Ignored bad PDB record found on line 89171  
ATOM 2690a OWS SOL W9400 -89.407 1.781 -51.394 1.00 0.00 O  
  
Ignored bad PDB record found on line 89172  
ATOM 2690c HWS SOL W9400 -89.038 0.909 -51.251 1.00 0.00 H  
  
Ignored bad PDB record found on line 89173  
ATOM 2690e HWS SOL W9400 -89.903 1.965 -50.596 1.00 0.00 H  
  
Duplicate atom serial number found: 26910  
Duplicate atom serial number found: 26912  
Duplicate atom serial number found: 26914  
Duplicate atom serial number found: 26916  
Duplicate atom serial number found: 26918  
Ignored bad PDB record found on line 89179  
ATOM 2691a HWS SOL W9402 81.954 5.218 87.529 1.00 0.00 H  
  
Ignored bad PDB record found on line 89180  
ATOM 2691c OWS SOL W9403 -84.812 12.937 -89.636 1.00 0.00 O  
  
Ignored bad PDB record found on line 89181  
ATOM 2691e HWS SOL W9403 -84.773 12.563 -90.516 1.00 0.00 H  
  
Duplicate atom serial number found: 26920  
Duplicate atom serial number found: 26922  
Duplicate atom serial number found: 26924  
Duplicate atom serial number found: 26926  
Duplicate atom serial number found: 26928  
Ignored bad PDB record found on line 89187  
ATOM 2692a HWS SOL W9405 87.014 -8.821 -77.881 1.00 0.00 H  
  
Ignored bad PDB record found on line 89188  
ATOM 2692c HWS SOL W9405 88.364 -8.606 -78.530 1.00 0.00 H  
  
Ignored bad PDB record found on line 89189  
ATOM 2692e OWS SOL W9406 87.166 -21.238 -69.947 1.00 0.00 O  
  
Duplicate atom serial number found: 26930  
Duplicate atom serial number found: 26932  
Duplicate atom serial number found: 26934  
Duplicate atom serial number found: 26936  
Duplicate atom serial number found: 26938  
Ignored bad PDB record found on line 89195  
ATOM 2693a OWS SOL W9408 -68.765 -28.232 -67.108 1.00 0.00 O  
  
Ignored bad PDB record found on line 89196  
ATOM 2693c HWS SOL W9408 -67.857 -28.344 -66.827 1.00 0.00 H  
  
Ignored bad PDB record found on line 89197  
ATOM 2693e HWS SOL W9408 -68.702 -27.802 -67.961 1.00 0.00 H  
  
Duplicate atom serial number found: 26940  
Duplicate atom serial number found: 26942  
Duplicate atom serial number found: 26944  
Duplicate atom serial number found: 26946  
Duplicate atom serial number found: 26948  
Ignored bad PDB record found on line 89203  
ATOM 2694a HWS SOL W9410 -88.251 4.096 -75.023 1.00 0.00 H  
  
Ignored bad PDB record found on line 89204  
ATOM 2694c OWS SOL W9411 -87.924 -23.488 -55.929 1.00 0.00 O  
  
Ignored bad PDB record found on line 89205  
ATOM 2694e HWS SOL W9411 -87.196 -23.253 -56.505 1.00 0.00 H  
  
Duplicate atom serial number found: 26950  
Duplicate atom serial number found: 26952  
Duplicate atom serial number found: 26954  
Duplicate atom serial number found: 26956  
Duplicate atom serial number found: 26958  
Ignored bad PDB record found on line 89211  
ATOM 2695a HWS SOL W9413 82.422 13.870 -71.974 1.00 0.00 H  
  
Ignored bad PDB record found on line 89212  
ATOM 2695c HWS SOL W9413 83.820 13.437 -72.361 1.00 0.00 H  
  
Ignored bad PDB record found on line 89213  
ATOM 2695e OWS SOL W9414 87.205 16.488 -71.108 1.00 0.00 O  
  
Duplicate atom serial number found: 26960  
Duplicate atom serial number found: 26962  
Duplicate atom serial number found: 26964  
Duplicate atom serial number found: 26966  
Duplicate atom serial number found: 26968  
Ignored bad PDB record found on line 89219  
ATOM 2696a OWS SOL W9416 82.455 3.126 -69.572 1.00 0.00 O  
  
Ignored bad PDB record found on line 89220  
ATOM 2696c HWS SOL W9416 83.396 3.067 -69.406 1.00 0.00 H  
  
Ignored bad PDB record found on line 89221  
ATOM 2696e HWS SOL W9416 82.082 3.422 -68.742 1.00 0.00 H  
  
Duplicate atom serial number found: 26970  
Duplicate atom serial number found: 26972  
Duplicate atom serial number found: 26974  
Duplicate atom serial number found: 26976  
Duplicate atom serial number found: 26978  
Ignored bad PDB record found on line 89227  
ATOM 2697a HWS SOL W9418 -72.127 3.612 -87.914 1.00 0.00 H  
  
Ignored bad PDB record found on line 89228  
ATOM 2697c OWS SOL W9419 -62.498 9.493 -87.469 1.00 0.00 O  
  
Ignored bad PDB record found on line 89229  
ATOM 2697e HWS SOL W9419 -63.314 9.523 -87.970 1.00 0.00 H  
  
Duplicate atom serial number found: 26980  
Duplicate atom serial number found: 26982  
Duplicate atom serial number found: 26984  
Duplicate atom serial number found: 26986  
Duplicate atom serial number found: 26988  
Ignored bad PDB record found on line 89235  
ATOM 2698a HWS SOL W9421 -79.572 3.232 -68.152 1.00 0.00 H  
  
Ignored bad PDB record found on line 89236  
ATOM 2698c HWS SOL W9421 -80.671 2.825 -67.192 1.00 0.00 H  
  
Ignored bad PDB record found on line 89237  
ATOM 2698e OWS SOL W9422 -55.522 -12.806 -87.244 1.00 0.00 O  
  
Duplicate atom serial number found: 26990  
Duplicate atom serial number found: 26992  
Duplicate atom serial number found: 26994  
Duplicate atom serial number found: 26996  
Duplicate atom serial number found: 26998  
Ignored bad PDB record found on line 89243  
ATOM 2699a OWS SOL W9424 -61.700 13.426 -89.900 1.00 0.00 O  
  
Ignored bad PDB record found on line 89244  
ATOM 2699c HWS SOL W9424 -61.409 14.334 -89.813 1.00 0.00 H  
  
Ignored bad PDB record found on line 89245  
ATOM 2699e HWS SOL W9424 -62.538 13.485 -90.359 1.00 0.00 H  
  
Ignored bad PDB record found on line 89246  
ATOM 269a0 OWS SOL W9425 80.254 -2.183 70.080 1.00 0.00 O  
  
Ignored bad PDB record found on line 89247  
ATOM 269a2 HWS SOL W9425 81.094 -1.781 70.302 1.00 0.00 H  
  
814 messages similar to the above omitted  
Duplicate atom serial number found: 27000  
Duplicate atom serial number found: 27002  
Duplicate atom serial number found: 27004  
Duplicate atom serial number found: 27006  
Duplicate atom serial number found: 27008  
Ignored bad PDB record found on line 90067  
ATOM 2700a HWS SOL W9702 -85.046 11.936 -53.485 1.00 0.00 H  
  
Ignored bad PDB record found on line 90068  
ATOM 2700c OWS SOL W9703 -68.662 -23.768 -35.751 1.00 0.00 O  
  
Ignored bad PDB record found on line 90069  
ATOM 2700e HWS SOL W9703 -69.058 -24.640 -35.758 1.00 0.00 H  
  
Duplicate atom serial number found: 27010  
Duplicate atom serial number found: 27012  
Duplicate atom serial number found: 27014  
Duplicate atom serial number found: 27016  
Duplicate atom serial number found: 27018  
Ignored bad PDB record found on line 90075  
ATOM 2701a HWS SOL W9705 87.013 -15.549 -48.468 1.00 0.00 H  
  
Ignored bad PDB record found on line 90076  
ATOM 2701c HWS SOL W9705 86.965 -16.413 -47.226 1.00 0.00 H  
  
Ignored bad PDB record found on line 90077  
ATOM 2701e OWS SOL W9706 -69.571 -5.458 -60.339 1.00 0.00 O  
  
Duplicate atom serial number found: 27020  
Duplicate atom serial number found: 27022  
Duplicate atom serial number found: 27024  
Duplicate atom serial number found: 27026  
Duplicate atom serial number found: 27028  
Ignored bad PDB record found on line 90083  
ATOM 2702a OWS SOL W9708 -78.952 14.427 -48.734 1.00 0.00 O  
  
Ignored bad PDB record found on line 90084  
ATOM 2702c HWS SOL W9708 -79.209 13.856 -48.009 1.00 0.00 H  
  
Ignored bad PDB record found on line 90085  
ATOM 2702e HWS SOL W9708 -79.582 15.147 -48.706 1.00 0.00 H  
  
Duplicate atom serial number found: 27030  
Duplicate atom serial number found: 27032  
Duplicate atom serial number found: 27034  
Duplicate atom serial number found: 27036  
Duplicate atom serial number found: 27038  
Ignored bad PDB record found on line 90091  
ATOM 2703a HWS SOL W9710 -76.754 14.129 -57.160 1.00 0.00 H  
  
Ignored bad PDB record found on line 90092  
ATOM 2703c OWS SOL W9711 63.059 13.265 -43.832 1.00 0.00 O  
  
Ignored bad PDB record found on line 90093  
ATOM 2703e HWS SOL W9711 63.613 13.269 -43.051 1.00 0.00 H  
  
Duplicate atom serial number found: 27040  
Duplicate atom serial number found: 27042  
Duplicate atom serial number found: 27044  
Duplicate atom serial number found: 27046  
Duplicate atom serial number found: 27048  
Ignored bad PDB record found on line 90099  
ATOM 2704a HWS SOL W9713 -77.565 -1.060 -30.335 1.00 0.00 H  
  
Ignored bad PDB record found on line 90100  
ATOM 2704c HWS SOL W9713 -78.283 -2.020 -29.410 1.00 0.00 H  
  
Ignored bad PDB record found on line 90101  
ATOM 2704e OWS SOL W9714 -77.761 20.411 -60.171 1.00 0.00 O  
  
Duplicate atom serial number found: 27050  
Duplicate atom serial number found: 27052  
Duplicate atom serial number found: 27054  
Duplicate atom serial number found: 27056  
Duplicate atom serial number found: 27058  
Ignored bad PDB record found on line 90107  
ATOM 2705a OWS SOL W9716 -79.219 -20.940 -61.736 1.00 0.00 O  
  
Ignored bad PDB record found on line 90108  
ATOM 2705c HWS SOL W9716 -79.328 -20.672 -60.823 1.00 0.00 H  
  
Ignored bad PDB record found on line 90109  
ATOM 2705e HWS SOL W9716 -79.978 -20.571 -62.187 1.00 0.00 H  
  
Duplicate atom serial number found: 27060  
Duplicate atom serial number found: 27062  
Duplicate atom serial number found: 27064  
Duplicate atom serial number found: 27066  
Duplicate atom serial number found: 27068  
Ignored bad PDB record found on line 90115  
ATOM 2706a HWS SOL W9718 -64.046 -3.217 -79.821 1.00 0.00 H  
  
Ignored bad PDB record found on line 90116  
ATOM 2706c OWS SOL W9719 85.288 15.181 -55.324 1.00 0.00 O  
  
Ignored bad PDB record found on line 90117  
ATOM 2706e HWS SOL W9719 84.455 14.998 -54.891 1.00 0.00 H  
  
Duplicate atom serial number found: 27070  
Duplicate atom serial number found: 27072  
Duplicate atom serial number found: 27074  
Duplicate atom serial number found: 27076  
Duplicate atom serial number found: 27078  
Ignored bad PDB record found on line 90123  
ATOM 2707a HWS SOL W9721 -86.860 -9.958 -63.174 1.00 0.00 H  
  
Ignored bad PDB record found on line 90124  
ATOM 2707c HWS SOL W9721 -87.458 -11.032 -64.058 1.00 0.00 H  
  
Ignored bad PDB record found on line 90125  
ATOM 2707e OWS SOL W9722 -84.332 -7.091 -73.288 1.00 0.00 O  
  
Duplicate atom serial number found: 27080  
Duplicate atom serial number found: 27082  
Duplicate atom serial number found: 27084  
Duplicate atom serial number found: 27086  
Duplicate atom serial number found: 27088  
Ignored bad PDB record found on line 90131  
ATOM 2708a OWS SOL W9724 70.413 -1.576 -36.474 1.00 0.00 O  
  
Ignored bad PDB record found on line 90132  
ATOM 2708c HWS SOL W9724 70.364 -2.051 -35.645 1.00 0.00 H  
  
Ignored bad PDB record found on line 90133  
ATOM 2708e HWS SOL W9724 70.612 -2.248 -37.125 1.00 0.00 H  
  
Duplicate atom serial number found: 27090  
Duplicate atom serial number found: 27092  
Duplicate atom serial number found: 27094  
Duplicate atom serial number found: 27096  
Duplicate atom serial number found: 27098  
Ignored bad PDB record found on line 90139  
ATOM 2709a HWS SOL W9726 -64.810 13.835 -53.679 1.00 0.00 H  
  
Ignored bad PDB record found on line 90140  
ATOM 2709c OWS SOL W9727 88.815 31.358 -49.457 1.00 0.00 O  
  
Ignored bad PDB record found on line 90141  
ATOM 2709e HWS SOL W9727 88.807 31.572 -48.524 1.00 0.00 H  
  
Ignored bad PDB record found on line 90142  
ATOM 270a0 HWS SOL W9727 87.914 31.504 -49.745 1.00 0.00 H  
  
Ignored bad PDB record found on line 90143  
ATOM 270a2 OWS SOL W9728 -78.811 -8.307 -62.044 1.00 0.00 O  
  
46 messages similar to the above omitted  
Duplicate atom serial number found: 27100  
Duplicate atom serial number found: 27102  
Duplicate atom serial number found: 27104  
Duplicate atom serial number found: 27106  
Duplicate atom serial number found: 27108  
Ignored bad PDB record found on line 90195  
ATOM 2710a HWS SOL W9745 -75.633 30.036 -61.245 1.00 0.00 H  
  
Ignored bad PDB record found on line 90196  
ATOM 2710c HWS SOL W9745 -76.056 30.995 -60.153 1.00 0.00 H  
  
Ignored bad PDB record found on line 90197  
ATOM 2710e OWS SOL W9746 85.174 12.700 -56.213 1.00 0.00 O  
  
Duplicate atom serial number found: 27110  
Duplicate atom serial number found: 27112  
Duplicate atom serial number found: 27114  
Duplicate atom serial number found: 27116  
Duplicate atom serial number found: 27118  
Ignored bad PDB record found on line 90203  
ATOM 2711a OWS SOL W9748 -75.080 -5.099 -79.664 1.00 0.00 O  
  
Ignored bad PDB record found on line 90204  
ATOM 2711c HWS SOL W9748 -75.449 -5.948 -79.420 1.00 0.00 H  
  
Ignored bad PDB record found on line 90205  
ATOM 2711e HWS SOL W9748 -74.132 -5.224 -79.607 1.00 0.00 H  
  
Duplicate atom serial number found: 27120  
Duplicate atom serial number found: 27122  
Duplicate atom serial number found: 27124  
Duplicate atom serial number found: 27126  
Duplicate atom serial number found: 27128  
Ignored bad PDB record found on line 90211  
ATOM 2712a HWS SOL W9750 -56.003 -10.221 -59.490 1.00 0.00 H  
  
Ignored bad PDB record found on line 90212  
ATOM 2712c OWS SOL W9751 -77.287 8.818 -33.379 1.00 0.00 O  
  
Ignored bad PDB record found on line 90213  
ATOM 2712e HWS SOL W9751 -77.745 9.609 -33.093 1.00 0.00 H  
  
Duplicate atom serial number found: 27130  
Duplicate atom serial number found: 27132  
Duplicate atom serial number found: 27134  
Duplicate atom serial number found: 27136  
Duplicate atom serial number found: 27138  
Ignored bad PDB record found on line 90219  
ATOM 2713a HWS SOL W9753 -63.822 38.322 -77.507 1.00 0.00 H  
  
Ignored bad PDB record found on line 90220  
ATOM 2713c HWS SOL W9753 -64.652 39.544 -77.175 1.00 0.00 H  
  
Ignored bad PDB record found on line 90221  
ATOM 2713e OWS SOL W9754 87.093 18.514 -48.811 1.00 0.00 O  
  
Duplicate atom serial number found: 27140  
Duplicate atom serial number found: 27142  
Duplicate atom serial number found: 27144  
Duplicate atom serial number found: 27146  
Duplicate atom serial number found: 27148  
Ignored bad PDB record found on line 90227  
ATOM 2714a OWS SOL W9756 -72.514 2.464 -53.983 1.00 0.00 O  
  
Ignored bad PDB record found on line 90228  
ATOM 2714c HWS SOL W9756 -71.653 2.411 -54.397 1.00 0.00 H  
  
Ignored bad PDB record found on line 90229  
ATOM 2714e HWS SOL W9756 -72.927 3.230 -54.383 1.00 0.00 H  
  
Duplicate atom serial number found: 27150  
Duplicate atom serial number found: 27152  
Duplicate atom serial number found: 27154  
Duplicate atom serial number found: 27156  
Duplicate atom serial number found: 27158  
Ignored bad PDB record found on line 90235  
ATOM 2715a HWS SOL W9758 -62.939 8.852 -38.165 1.00 0.00 H  
  
Ignored bad PDB record found on line 90236  
ATOM 2715c OWS SOL W9759 -74.321 5.319 -62.963 1.00 0.00 O  
  
Ignored bad PDB record found on line 90237  
ATOM 2715e HWS SOL W9759 -73.702 5.803 -63.509 1.00 0.00 H  
  
Duplicate atom serial number found: 27160  
Duplicate atom serial number found: 27162  
Duplicate atom serial number found: 27164  
Duplicate atom serial number found: 27166  
Duplicate atom serial number found: 27168  
Ignored bad PDB record found on line 90243  
ATOM 2716a HWS SOL W9761 -84.119 20.231 -44.970 1.00 0.00 H  
  
Ignored bad PDB record found on line 90244  
ATOM 2716c HWS SOL W9761 -82.981 19.632 -44.172 1.00 0.00 H  
  
Ignored bad PDB record found on line 90245  
ATOM 2716e OWS SOL W9762 -68.176 2.488 -45.505 1.00 0.00 O  
  
Duplicate atom serial number found: 27170  
Duplicate atom serial number found: 27172  
Duplicate atom serial number found: 27174  
Duplicate atom serial number found: 27176  
Duplicate atom serial number found: 27178  
Ignored bad PDB record found on line 90251  
ATOM 2717a OWS SOL W9764 -81.889 1.156 -53.374 1.00 0.00 O  
  
Ignored bad PDB record found on line 90252  
ATOM 2717c HWS SOL W9764 -81.422 1.569 -54.101 1.00 0.00 H  
  
Ignored bad PDB record found on line 90253  
ATOM 2717e HWS SOL W9764 -82.755 1.563 -53.382 1.00 0.00 H  
  
Duplicate atom serial number found: 27180  
Duplicate atom serial number found: 27182  
Duplicate atom serial number found: 27184  
Duplicate atom serial number found: 27186  
Duplicate atom serial number found: 27188  
Ignored bad PDB record found on line 90259  
ATOM 2718a HWS SOL W9766 -57.451 1.639 -35.997 1.00 0.00 H  
  
Ignored bad PDB record found on line 90260  
ATOM 2718c OWS SOL W9767 -80.211 -7.461 -47.560 1.00 0.00 O  
  
Ignored bad PDB record found on line 90261  
ATOM 2718e HWS SOL W9767 -79.549 -7.998 -47.995 1.00 0.00 H  
  
Duplicate atom serial number found: 27190  
Duplicate atom serial number found: 27192  
Duplicate atom serial number found: 27194  
Duplicate atom serial number found: 27196  
Duplicate atom serial number found: 27198  
Ignored bad PDB record found on line 90267  
ATOM 2719a HWS SOL W9769 -81.833 -6.778 -61.355 1.00 0.00 H  
  
Ignored bad PDB record found on line 90268  
ATOM 2719c HWS SOL W9769 -80.613 -7.436 -61.965 1.00 0.00 H  
  
Ignored bad PDB record found on line 90269  
ATOM 2719e OWS SOL W9770 79.876 -13.458 -61.766 1.00 0.00 O  
  
Ignored bad PDB record found on line 90270  
ATOM 271a0 HWS SOL W9770 79.802 -13.958 -60.953 1.00 0.00 H  
  
Ignored bad PDB record found on line 90271  
ATOM 271a2 HWS SOL W9770 80.067 -14.116 -62.435 1.00 0.00 H  
  
46 messages similar to the above omitted  
Duplicate atom serial number found: 27200  
Duplicate atom serial number found: 27202  
Duplicate atom serial number found: 27204  
Duplicate atom serial number found: 27206  
Duplicate atom serial number found: 27208  
Ignored bad PDB record found on line 90323  
ATOM 2720a OWS SOL W9788 -86.188 15.768 -53.679 1.00 0.00 O  
  
Ignored bad PDB record found on line 90324  
ATOM 2720c HWS SOL W9788 -87.073 15.413 -53.589 1.00 0.00 H  
  
Ignored bad PDB record found on line 90325  
ATOM 2720e HWS SOL W9788 -85.750 15.528 -52.862 1.00 0.00 H  
  
Duplicate atom serial number found: 27210  
Duplicate atom serial number found: 27212  
Duplicate atom serial number found: 27214  
Duplicate atom serial number found: 27216  
Duplicate atom serial number found: 27218  
Ignored bad PDB record found on line 90331  
ATOM 2721a HWS SOL W9790 -72.014 -7.550 -32.900 1.00 0.00 H  
  
Ignored bad PDB record found on line 90332  
ATOM 2721c OWS SOL W9791 85.137 14.860 -65.271 1.00 0.00 O  
  
Ignored bad PDB record found on line 90333  
ATOM 2721e HWS SOL W9791 85.992 14.583 -65.600 1.00 0.00 H  
  
Duplicate atom serial number found: 27220  
Duplicate atom serial number found: 27222  
Duplicate atom serial number found: 27224  
Duplicate atom serial number found: 27226  
Duplicate atom serial number found: 27228  
Ignored bad PDB record found on line 90339  
ATOM 2722a HWS SOL W9793 -81.167 5.262 -58.565 1.00 0.00 H  
  
Ignored bad PDB record found on line 90340  
ATOM 2722c HWS SOL W9793 -81.895 5.201 -59.892 1.00 0.00 H  
  
Ignored bad PDB record found on line 90341  
ATOM 2722e OWS SOL W9794 -81.576 -3.871 -41.824 1.00 0.00 O  
  
Duplicate atom serial number found: 27230  
Duplicate atom serial number found: 27232  
Duplicate atom serial number found: 27234  
Duplicate atom serial number found: 27236  
Duplicate atom serial number found: 27238  
Ignored bad PDB record found on line 90347  
ATOM 2723a OWS SOL W9796 -88.991 3.969 -53.255 1.00 0.00 O  
  
Ignored bad PDB record found on line 90348  
ATOM 2723c HWS SOL W9796 -89.582 4.712 -53.135 1.00 0.00 H  
  
Ignored bad PDB record found on line 90349  
ATOM 2723e HWS SOL W9796 -89.164 3.401 -52.505 1.00 0.00 H  
  
Duplicate atom serial number found: 27240  
Duplicate atom serial number found: 27242  
Duplicate atom serial number found: 27244  
Duplicate atom serial number found: 27246  
Duplicate atom serial number found: 27248  
Ignored bad PDB record found on line 90355  
ATOM 2724a HWS SOL W9798 -84.621 24.895 -45.977 1.00 0.00 H  
  
Ignored bad PDB record found on line 90356  
ATOM 2724c OWS SOL W9799 -66.595 7.417 -59.298 1.00 0.00 O  
  
Ignored bad PDB record found on line 90357  
ATOM 2724e HWS SOL W9799 -66.899 8.323 -59.244 1.00 0.00 H  
  
Duplicate atom serial number found: 27250  
Duplicate atom serial number found: 27252  
Duplicate atom serial number found: 27254  
Duplicate atom serial number found: 27256  
Duplicate atom serial number found: 27258  
Ignored bad PDB record found on line 90363  
ATOM 2725a HWS SOL W9801 -66.956 11.328 -53.071 1.00 0.00 H  
  
Ignored bad PDB record found on line 90364  
ATOM 2725c HWS SOL W9801 -68.185 10.595 -52.576 1.00 0.00 H  
  
Ignored bad PDB record found on line 90365  
ATOM 2725e OWS SOL W9802 82.320 -1.445 -48.064 1.00 0.00 O  
  
Duplicate atom serial number found: 27260  
Duplicate atom serial number found: 27262  
Duplicate atom serial number found: 27264  
Duplicate atom serial number found: 27266  
Duplicate atom serial number found: 27268  
Ignored bad PDB record found on line 90371  
ATOM 2726a OWS SOL W9804 -88.506 11.293 -56.168 1.00 0.00 O  
  
Ignored bad PDB record found on line 90372  
ATOM 2726c HWS SOL W9804 -88.039 10.475 -56.339 1.00 0.00 H  
  
Ignored bad PDB record found on line 90373  
ATOM 2726e HWS SOL W9804 -89.372 11.159 -56.554 1.00 0.00 H  
  
Duplicate atom serial number found: 27270  
Duplicate atom serial number found: 27272  
Duplicate atom serial number found: 27274  
Duplicate atom serial number found: 27276  
Duplicate atom serial number found: 27278  
Ignored bad PDB record found on line 90379  
ATOM 2727a HWS SOL W9806 84.428 -1.709 -67.095 1.00 0.00 H  
  
Ignored bad PDB record found on line 90380  
ATOM 2727c OWS SOL W9807 -74.195 14.289 -50.844 1.00 0.00 O  
  
Ignored bad PDB record found on line 90381  
ATOM 2727e HWS SOL W9807 -73.900 15.191 -50.972 1.00 0.00 H  
  
Duplicate atom serial number found: 27280  
Duplicate atom serial number found: 27282  
Duplicate atom serial number found: 27284  
Duplicate atom serial number found: 27286  
Duplicate atom serial number found: 27288  
Ignored bad PDB record found on line 90387  
ATOM 2728a HWS SOL W9809 -72.260 25.547 -44.241 1.00 0.00 H  
  
Ignored bad PDB record found on line 90388  
ATOM 2728c HWS SOL W9809 -72.032 25.114 -45.674 1.00 0.00 H  
  
Ignored bad PDB record found on line 90389  
ATOM 2728e OWS SOL W9810 -75.884 -4.044 -82.273 1.00 0.00 O  
  
Duplicate atom serial number found: 27290  
Duplicate atom serial number found: 27292  
Duplicate atom serial number found: 27294  
Duplicate atom serial number found: 27296  
Duplicate atom serial number found: 27298  
Ignored bad PDB record found on line 90395  
ATOM 2729a OWS SOL W9812 84.463 -6.689 -56.808 1.00 0.00 O  
  
Ignored bad PDB record found on line 90396  
ATOM 2729c HWS SOL W9812 83.822 -7.372 -57.003 1.00 0.00 H  
  
Ignored bad PDB record found on line 90397  
ATOM 2729e HWS SOL W9812 84.829 -6.452 -57.660 1.00 0.00 H  
  
Ignored bad PDB record found on line 90398  
ATOM 272a0 OWS SOL W9813 -68.221 -19.147 -45.170 1.00 0.00 O  
  
Ignored bad PDB record found on line 90399  
ATOM 272a2 HWS SOL W9813 -67.352 -18.779 -45.331 1.00 0.00 H  
  
46 messages similar to the above omitted  
Duplicate atom serial number found: 27300  
Duplicate atom serial number found: 27302  
Duplicate atom serial number found: 27304  
Duplicate atom serial number found: 27306  
Duplicate atom serial number found: 27308  
Ignored bad PDB record found on line 90451  
ATOM 2730a HWS SOL W9830 -74.324 -1.082 -46.839 1.00 0.00 H  
  
Ignored bad PDB record found on line 90452  
ATOM 2730c OWS SOL W9831 -86.353 10.463 -54.319 1.00 0.00 O  
  
Ignored bad PDB record found on line 90453  
ATOM 2730e HWS SOL W9831 -86.877 10.969 -54.940 1.00 0.00 H  
  
Duplicate atom serial number found: 27310  
Duplicate atom serial number found: 27312  
Duplicate atom serial number found: 27314  
Duplicate atom serial number found: 27316  
Duplicate atom serial number found: 27318  
Ignored bad PDB record found on line 90459  
ATOM 2731a HWS SOL W9833 89.488 -2.323 -60.024 1.00 0.00 H  
  
Ignored bad PDB record found on line 90460  
ATOM 2731c HWS SOL W9833 90.119 -3.612 -60.504 1.00 0.00 H  
  
Ignored bad PDB record found on line 90461  
ATOM 2731e OWS SOL W9834 -62.825 12.942 -56.528 1.00 0.00 O  
  
Duplicate atom serial number found: 27320  
Duplicate atom serial number found: 27322  
Duplicate atom serial number found: 27324  
Duplicate atom serial number found: 27326  
Duplicate atom serial number found: 27328  
Ignored bad PDB record found on line 90467  
ATOM 2732a OWS SOL W9836 -73.628 18.280 -61.797 1.00 0.00 O  
  
Ignored bad PDB record found on line 90468  
ATOM 2732c HWS SOL W9836 -73.157 17.646 -61.257 1.00 0.00 H  
  
Ignored bad PDB record found on line 90469  
ATOM 2732e HWS SOL W9836 -73.201 19.116 -61.612 1.00 0.00 H  
  
Duplicate atom serial number found: 27330  
Duplicate atom serial number found: 27332  
Duplicate atom serial number found: 27334  
Duplicate atom serial number found: 27336  
Duplicate atom serial number found: 27338  
Ignored bad PDB record found on line 90475  
ATOM 2733a HWS SOL W9838 -85.836 7.089 -55.860 1.00 0.00 H  
  
Ignored bad PDB record found on line 90476  
ATOM 2733c OWS SOL W9839 -78.153 -12.371 -72.666 1.00 0.00 O  
  
Ignored bad PDB record found on line 90477  
ATOM 2733e HWS SOL W9839 -78.447 -12.822 -71.874 1.00 0.00 H  
  
Duplicate atom serial number found: 27340  
Duplicate atom serial number found: 27342  
Duplicate atom serial number found: 27344  
Duplicate atom serial number found: 27346  
Duplicate atom serial number found: 27348  
Ignored bad PDB record found on line 90483  
ATOM 2734a HWS SOL W9841 -82.427 -18.859 -39.941 1.00 0.00 H  
  
Ignored bad PDB record found on line 90484  
ATOM 2734c HWS SOL W9841 -83.125 -17.528 -39.759 1.00 0.00 H  
  
Ignored bad PDB record found on line 90485  
ATOM 2734e OWS SOL W9842 -60.258 -2.511 -42.263 1.00 0.00 O  
  
Duplicate atom serial number found: 27350  
Duplicate atom serial number found: 27352  
Duplicate atom serial number found: 27354  
Duplicate atom serial number found: 27356  
Duplicate atom serial number found: 27358  
Ignored bad PDB record found on line 90491  
ATOM 2735a OWS SOL W9844 -72.409 23.325 -46.400 1.00 0.00 O  
  
Ignored bad PDB record found on line 90492  
ATOM 2735c HWS SOL W9844 -72.470 22.558 -45.832 1.00 0.00 H  
  
Ignored bad PDB record found on line 90493  
ATOM 2735e HWS SOL W9844 -73.311 23.498 -46.669 1.00 0.00 H  
  
Duplicate atom serial number found: 27360  
Duplicate atom serial number found: 27362  
Duplicate atom serial number found: 27364  
Duplicate atom serial number found: 27366  
Duplicate atom serial number found: 27368  
Ignored bad PDB record found on line 90499  
ATOM 2736a HWS SOL W9846 89.886 7.877 -76.717 1.00 0.00 H  
  
Ignored bad PDB record found on line 90500  
ATOM 2736c OWS SOL W9847 -77.541 -9.353 -72.096 1.00 0.00 O  
  
Ignored bad PDB record found on line 90501  
ATOM 2736e HWS SOL W9847 -78.376 -9.292 -72.559 1.00 0.00 H  
  
Duplicate atom serial number found: 27370  
Duplicate atom serial number found: 27372  
Duplicate atom serial number found: 27374  
Duplicate atom serial number found: 27376  
Duplicate atom serial number found: 27378  
Ignored bad PDB record found on line 90507  
ATOM 2737a HWS SOL W9849 74.399 0.290 -47.380 1.00 0.00 H  
  
Ignored bad PDB record found on line 90508  
ATOM 2737c HWS SOL W9849 73.888 1.614 -46.853 1.00 0.00 H  
  
Ignored bad PDB record found on line 90509  
ATOM 2737e OWS SOL W9850 76.885 17.536 -42.385 1.00 0.00 O  
  
Duplicate atom serial number found: 27380  
Duplicate atom serial number found: 27382  
Duplicate atom serial number found: 27384  
Duplicate atom serial number found: 27386  
Duplicate atom serial number found: 27388  
Ignored bad PDB record found on line 90515  
ATOM 2738a OWS SOL W9852 82.411 25.669 -49.300 1.00 0.00 O  
  
Ignored bad PDB record found on line 90516  
ATOM 2738c HWS SOL W9852 82.650 26.084 -50.129 1.00 0.00 H  
  
Ignored bad PDB record found on line 90517  
ATOM 2738e HWS SOL W9852 83.243 25.370 -48.932 1.00 0.00 H  
  
Duplicate atom serial number found: 27390  
Duplicate atom serial number found: 27392  
Duplicate atom serial number found: 27394  
Duplicate atom serial number found: 27396  
Duplicate atom serial number found: 27398  
Ignored bad PDB record found on line 90523  
ATOM 2739a HWS SOL W9854 -62.387 7.284 -33.436 1.00 0.00 H  
  
Ignored bad PDB record found on line 90524  
ATOM 2739c OWS SOL W9855 -82.218 27.609 -29.056 1.00 0.00 O  
  
Ignored bad PDB record found on line 90525  
ATOM 2739e HWS SOL W9855 -81.327 27.496 -29.387 1.00 0.00 H  
  
Ignored bad PDB record found on line 90526  
ATOM 273a0 HWS SOL W9855 -82.114 27.683 -28.108 1.00 0.00 H  
  
Ignored bad PDB record found on line 90527  
ATOM 273a2 OWS SOL W9856 -82.786 19.928 -50.401 1.00 0.00 O  
  
46 messages similar to the above omitted  
Duplicate atom serial number found: 27400  
Duplicate atom serial number found: 27402  
Duplicate atom serial number found: 27404  
Duplicate atom serial number found: 27406  
Duplicate atom serial number found: 27408  
Ignored bad PDB record found on line 90579  
ATOM 2740a HWS SOL W9873 -79.878 -2.822 -61.442 1.00 0.00 H  
  
Ignored bad PDB record found on line 90580  
ATOM 2740c HWS SOL W9873 -79.112 -2.804 -62.748 1.00 0.00 H  
  
Ignored bad PDB record found on line 90581  
ATOM 2740e OWS SOL W9874 -76.937 -5.039 -46.236 1.00 0.00 O  
  
Duplicate atom serial number found: 27410  
Duplicate atom serial number found: 27412  
Duplicate atom serial number found: 27414  
Duplicate atom serial number found: 27416  
Duplicate atom serial number found: 27418  
Ignored bad PDB record found on line 90587  
ATOM 2741a OWS SOL W9876 -70.229 15.216 -49.575 1.00 0.00 O  
  
Ignored bad PDB record found on line 90588  
ATOM 2741c HWS SOL W9876 -70.053 14.275 -49.603 1.00 0.00 H  
  
Ignored bad PDB record found on line 90589  
ATOM 2741e HWS SOL W9876 -69.911 15.544 -50.416 1.00 0.00 H  
  
Duplicate atom serial number found: 27420  
Duplicate atom serial number found: 27422  
Duplicate atom serial number found: 27424  
Duplicate atom serial number found: 27426  
Duplicate atom serial number found: 27428  
Ignored bad PDB record found on line 90595  
ATOM 2742a HWS SOL W9878 78.471 -4.178 -28.415 1.00 0.00 H  
  
Ignored bad PDB record found on line 90596  
ATOM 2742c OWS SOL W9879 81.769 -9.280 -51.134 1.00 0.00 O  
  
Ignored bad PDB record found on line 90597  
ATOM 2742e HWS SOL W9879 81.474 -8.826 -51.924 1.00 0.00 H  
  
Duplicate atom serial number found: 27430  
Duplicate atom serial number found: 27432  
Duplicate atom serial number found: 27434  
Duplicate atom serial number found: 27436  
Duplicate atom serial number found: 27438  
Ignored bad PDB record found on line 90603  
ATOM 2743a HWS SOL W9881 -68.488 1.184 -51.118 1.00 0.00 H  
  
Ignored bad PDB record found on line 90604  
ATOM 2743c HWS SOL W9881 -67.414 0.120 -51.197 1.00 0.00 H  
  
Ignored bad PDB record found on line 90605  
ATOM 2743e OWS SOL W9882 -88.063 14.842 -69.149 1.00 0.00 O  
  
Duplicate atom serial number found: 27440  
Duplicate atom serial number found: 27442  
Duplicate atom serial number found: 27444  
Duplicate atom serial number found: 27446  
Duplicate atom serial number found: 27448  
Ignored bad PDB record found on line 90611  
ATOM 2744a OWS SOL W9884 -72.323 -7.914 -40.518 1.00 0.00 O  
  
Ignored bad PDB record found on line 90612  
ATOM 2744c HWS SOL W9884 -71.490 -7.617 -40.884 1.00 0.00 H  
  
Ignored bad PDB record found on line 90613  
ATOM 2744e HWS SOL W9884 -72.104 -8.216 -39.637 1.00 0.00 H  
  
Duplicate atom serial number found: 27450  
Duplicate atom serial number found: 27452  
Duplicate atom serial number found: 27454  
Duplicate atom serial number found: 27456  
Duplicate atom serial number found: 27458  
Ignored bad PDB record found on line 90619  
ATOM 2745a HWS SOL W9886 -79.202 7.284 -36.821 1.00 0.00 H  
  
Ignored bad PDB record found on line 90620  
ATOM 2745c OWS SOL W9887 72.818 -11.988 -50.007 1.00 0.00 O  
  
Ignored bad PDB record found on line 90621  
ATOM 2745e HWS SOL W9887 72.539 -11.484 -50.772 1.00 0.00 H  
  
Duplicate atom serial number found: 27460  
Duplicate atom serial number found: 27462  
Duplicate atom serial number found: 27464  
Duplicate atom serial number found: 27466  
Duplicate atom serial number found: 27468  
Ignored bad PDB record found on line 90627  
ATOM 2746a HWS SOL W9889 -86.182 19.946 -57.058 1.00 0.00 H  
  
Ignored bad PDB record found on line 90628  
ATOM 2746c HWS SOL W9889 -85.209 19.643 -58.177 1.00 0.00 H  
  
Ignored bad PDB record found on line 90629  
ATOM 2746e OWS SOL W9890 -74.228 12.654 -62.877 1.00 0.00 O  
  
Duplicate atom serial number found: 27470  
Duplicate atom serial number found: 27472  
Duplicate atom serial number found: 27474  
Duplicate atom serial number found: 27476  
Duplicate atom serial number found: 27478  
Ignored bad PDB record found on line 90635  
ATOM 2747a OWS SOL W9892 -81.789 9.391 -59.981 1.00 0.00 O  
  
Ignored bad PDB record found on line 90636  
ATOM 2747c HWS SOL W9892 -82.483 9.293 -59.329 1.00 0.00 H  
  
Ignored bad PDB record found on line 90637  
ATOM 2747e HWS SOL W9892 -81.945 10.252 -60.369 1.00 0.00 H  
  
Duplicate atom serial number found: 27480  
Duplicate atom serial number found: 27482  
Duplicate atom serial number found: 27484  
Duplicate atom serial number found: 27486  
Duplicate atom serial number found: 27488  
Ignored bad PDB record found on line 90643  
ATOM 2748a HWS SOL W9894 -79.141 -13.162 -28.356 1.00 0.00 H  
  
Ignored bad PDB record found on line 90644  
ATOM 2748c OWS SOL W9895 -84.596 3.226 -47.267 1.00 0.00 O  
  
Ignored bad PDB record found on line 90645  
ATOM 2748e HWS SOL W9895 -85.217 2.533 -47.490 1.00 0.00 H  
  
Duplicate atom serial number found: 27490  
Duplicate atom serial number found: 27492  
Duplicate atom serial number found: 27494  
Duplicate atom serial number found: 27496  
Duplicate atom serial number found: 27498  
Ignored bad PDB record found on line 90651  
ATOM 2749a HWS SOL W9897 -80.266 4.152 -41.577 1.00 0.00 H  
  
Ignored bad PDB record found on line 90652  
ATOM 2749c HWS SOL W9897 -80.818 5.544 -41.798 1.00 0.00 H  
  
Ignored bad PDB record found on line 90653  
ATOM 2749e OWS SOL W9898 -88.280 -19.505 -31.051 1.00 0.00 O  
  
Ignored bad PDB record found on line 90654  
ATOM 274a0 HWS SOL W9898 -87.631 -20.201 -31.155 1.00 0.00 H  
  
Ignored bad PDB record found on line 90655  
ATOM 274a2 HWS SOL W9898 -87.940 -18.966 -30.336 1.00 0.00 H  
  
46 messages similar to the above omitted  
Duplicate atom serial number found: 27500  
Duplicate atom serial number found: 27502  
Duplicate atom serial number found: 27504  
Duplicate atom serial number found: 27506  
Duplicate atom serial number found: 27508  
Ignored bad PDB record found on line 90707  
ATOM 2750a OWS SOL W9917 -76.110 14.188 -48.623 1.00 0.00 O  
  
Ignored bad PDB record found on line 90708  
ATOM 2750c HWS SOL W9917 -75.707 14.485 -49.439 1.00 0.00 H  
  
Ignored bad PDB record found on line 90709  
ATOM 2750e HWS SOL W9917 -77.046 14.146 -48.820 1.00 0.00 H  
  
Duplicate atom serial number found: 27510  
Duplicate atom serial number found: 27512  
Duplicate atom serial number found: 27514  
Duplicate atom serial number found: 27516  
Duplicate atom serial number found: 27518  
Ignored bad PDB record found on line 90715  
ATOM 2751a HWS SOL W9919 89.165 10.601 -41.789 1.00 0.00 H  
  
Ignored bad PDB record found on line 90716  
ATOM 2751c OWS SOL W9920 86.007 3.932 -62.903 1.00 0.00 O  
  
Ignored bad PDB record found on line 90717  
ATOM 2751e HWS SOL W9920 86.298 3.557 -63.734 1.00 0.00 H  
  
Duplicate atom serial number found: 27520  
Duplicate atom serial number found: 27522  
Duplicate atom serial number found: 27524  
Duplicate atom serial number found: 27526  
Duplicate atom serial number found: 27528  
Ignored bad PDB record found on line 90723  
ATOM 2752a HWS SOL W9922 -83.524 4.481 -39.834 1.00 0.00 H  
  
Ignored bad PDB record found on line 90724  
ATOM 2752c HWS SOL W9922 -82.103 4.048 -40.124 1.00 0.00 H  
  
Ignored bad PDB record found on line 90725  
ATOM 2752e OWS SOL W9923 -70.575 24.659 -47.748 1.00 0.00 O  
  
Duplicate atom serial number found: 27530  
Duplicate atom serial number found: 27532  
Duplicate atom serial number found: 27534  
Duplicate atom serial number found: 27536  
Duplicate atom serial number found: 27538  
Ignored bad PDB record found on line 90731  
ATOM 2753a OWS SOL W9925 89.436 -15.573 -53.097 1.00 0.00 O  
  
Ignored bad PDB record found on line 90732  
ATOM 2753c HWS SOL W9925 90.326 -15.424 -53.415 1.00 0.00 H  
  
Ignored bad PDB record found on line 90733  
ATOM 2753e HWS SOL W9925 89.060 -16.196 -53.719 1.00 0.00 H  
  
Duplicate atom serial number found: 27540  
Duplicate atom serial number found: 27542  
Duplicate atom serial number found: 27544  
Duplicate atom serial number found: 27546  
Duplicate atom serial number found: 27548  
Ignored bad PDB record found on line 90739  
ATOM 2754a HWS SOL W9927 87.112 12.205 -60.664 1.00 0.00 H  
  
Ignored bad PDB record found on line 90740  
ATOM 2754c OWS SOL W9928 -72.230 -0.263 -39.197 1.00 0.00 O  
  
Ignored bad PDB record found on line 90741  
ATOM 2754e HWS SOL W9928 -73.065 -0.508 -39.596 1.00 0.00 H  
  
Duplicate atom serial number found: 27550  
Duplicate atom serial number found: 27552  
Duplicate atom serial number found: 27554  
Duplicate atom serial number found: 27556  
Duplicate atom serial number found: 27558  
Ignored bad PDB record found on line 90747  
ATOM 2755a HWS SOL W9930 88.665 -19.095 -58.159 1.00 0.00 H  
  
Ignored bad PDB record found on line 90748  
ATOM 2755c HWS SOL W9930 87.919 -20.412 -58.127 1.00 0.00 H  
  
Ignored bad PDB record found on line 90749  
ATOM 2755e OWS SOL W9931 -82.566 14.525 -42.668 1.00 0.00 O  
  
Duplicate atom serial number found: 27560  
Duplicate atom serial number found: 27562  
Duplicate atom serial number found: 27564  
Duplicate atom serial number found: 27566  
Duplicate atom serial number found: 27568  
Ignored bad PDB record found on line 90755  
ATOM 2756a OWS SOL W9933 -71.088 -13.805 -37.333 1.00 0.00 O  
  
Ignored bad PDB record found on line 90756  
ATOM 2756c HWS SOL W9933 -70.738 -14.234 -36.552 1.00 0.00 H  
  
Ignored bad PDB record found on line 90757  
ATOM 2756e HWS SOL W9933 -70.361 -13.279 -37.665 1.00 0.00 H  
  
Duplicate atom serial number found: 27570  
Duplicate atom serial number found: 27572  
Duplicate atom serial number found: 27574  
Duplicate atom serial number found: 27576  
Duplicate atom serial number found: 27578  
Ignored bad PDB record found on line 90763  
ATOM 2757a HWS SOL W9935 -79.221 18.183 -59.337 1.00 0.00 H  
  
Ignored bad PDB record found on line 90764  
ATOM 2757c OWS SOL W9936 81.592 -8.762 -69.211 1.00 0.00 O  
  
Ignored bad PDB record found on line 90765  
ATOM 2757e HWS SOL W9936 81.176 -9.264 -68.511 1.00 0.00 H  
  
Duplicate atom serial number found: 27580  
Duplicate atom serial number found: 27582  
Duplicate atom serial number found: 27584  
Duplicate atom serial number found: 27586  
Duplicate atom serial number found: 27588  
Ignored bad PDB record found on line 90771  
ATOM 2758a HWS SOL W9938 -83.720 -1.508 -43.903 1.00 0.00 H  
  
Ignored bad PDB record found on line 90772  
ATOM 2758c HWS SOL W9938 -83.531 -0.695 -42.639 1.00 0.00 H  
  
Ignored bad PDB record found on line 90773  
ATOM 2758e OWS SOL W9939 -80.894 8.456 -62.821 1.00 0.00 O  
  
Duplicate atom serial number found: 27590  
Duplicate atom serial number found: 27592  
Duplicate atom serial number found: 27594  
Duplicate atom serial number found: 27596  
Duplicate atom serial number found: 27598  
Ignored bad PDB record found on line 90779  
ATOM 2759a OWS SOL W9941 -78.038 -24.043 -43.301 1.00 0.00 O  
  
Ignored bad PDB record found on line 90780  
ATOM 2759c HWS SOL W9941 -78.018 -23.097 -43.445 1.00 0.00 H  
  
Ignored bad PDB record found on line 90781  
ATOM 2759e HWS SOL W9941 -78.970 -24.257 -43.246 1.00 0.00 H  
  
Ignored bad PDB record found on line 90782  
ATOM 275a0 OWS SOL W9942 -78.460 21.600 -49.680 1.00 0.00 O  
  
Ignored bad PDB record found on line 90783  
ATOM 275a2 HWS SOL W9942 -78.358 22.484 -49.327 1.00 0.00 H  
  
46 messages similar to the above omitted  
Duplicate atom serial number found: 27600  
Duplicate atom serial number found: 27602  
Duplicate atom serial number found: 27604  
Duplicate atom serial number found: 27606  
Duplicate atom serial number found: 27608  
Ignored bad PDB record found on line 90835  
ATOM 2760a HWS SOL W9959 -87.958 5.519 -56.887 1.00 0.00 H  
  
Ignored bad PDB record found on line 90836  
ATOM 2760c OWS SOL W9960 -67.933 4.037 -49.940 1.00 0.00 O  
  
Ignored bad PDB record found on line 90837  
ATOM 2760e HWS SOL W9960 -67.029 4.331 -49.833 1.00 0.00 H  
  
Duplicate atom serial number found: 27610  
Duplicate atom serial number found: 27612  
Duplicate atom serial number found: 27614  
Duplicate atom serial number found: 27616  
Duplicate atom serial number found: 27618  
Ignored bad PDB record found on line 90843  
ATOM 2761a HWS SOL W9962 -70.258 11.712 -49.840 1.00 0.00 H  
  
Ignored bad PDB record found on line 90844  
ATOM 2761c HWS SOL W9962 -68.954 12.217 -49.261 1.00 0.00 H  
  
Ignored bad PDB record found on line 90845  
ATOM 2761e OWS SOL W9963 -90.074 -18.198 -58.803 1.00 0.00 O  
  
Duplicate atom serial number found: 27620  
Duplicate atom serial number found: 27622  
Duplicate atom serial number found: 27624  
Duplicate atom serial number found: 27626  
Duplicate atom serial number found: 27628  
Ignored bad PDB record found on line 90851  
ATOM 2762a OWS SOL W9965 -76.410 4.114 -29.952 1.00 0.00 O  
  
Ignored bad PDB record found on line 90852  
ATOM 2762c HWS SOL W9965 -76.012 4.722 -30.575 1.00 0.00 H  
  
Ignored bad PDB record found on line 90853  
ATOM 2762e HWS SOL W9965 -77.344 4.318 -29.981 1.00 0.00 H  
  
Duplicate atom serial number found: 27630  
Duplicate atom serial number found: 27632  
Duplicate atom serial number found: 27634  
Duplicate atom serial number found: 27636  
Duplicate atom serial number found: 27638  
Ignored bad PDB record found on line 90859  
ATOM 2763a HWS SOL W9967 -77.654 2.702 -60.173 1.00 0.00 H  
  
Ignored bad PDB record found on line 90860  
ATOM 2763c OWS SOL W9968 -64.338 11.343 -61.208 1.00 0.00 O  
  
Ignored bad PDB record found on line 90861  
ATOM 2763e HWS SOL W9968 -65.236 11.034 -61.329 1.00 0.00 H  
  
Duplicate atom serial number found: 27640  
Duplicate atom serial number found: 27642  
Duplicate atom serial number found: 27644  
Duplicate atom serial number found: 27646  
Duplicate atom serial number found: 27648  
Ignored bad PDB record found on line 90867  
ATOM 2764a HWS SOL W9970 -86.964 -2.941 -21.221 1.00 0.00 H  
  
Ignored bad PDB record found on line 90868  
ATOM 2764c HWS SOL W9970 -86.672 -2.244 -22.532 1.00 0.00 H  
  
Ignored bad PDB record found on line 90869  
ATOM 2764e OWS SOL W9971 -78.143 -4.166 -77.324 1.00 0.00 O  
  
Duplicate atom serial number found: 27650  
Duplicate atom serial number found: 27652  
Duplicate atom serial number found: 27654  
Duplicate atom serial number found: 27656  
Duplicate atom serial number found: 27658  
Ignored bad PDB record found on line 90875  
ATOM 2765a OWS SOL W9973 -78.173 17.127 -50.547 1.00 0.00 O  
  
Ignored bad PDB record found on line 90876  
ATOM 2765c HWS SOL W9973 -77.514 17.487 -49.953 1.00 0.00 H  
  
Ignored bad PDB record found on line 90877  
ATOM 2765e HWS SOL W9973 -77.728 16.404 -50.990 1.00 0.00 H  
  
Duplicate atom serial number found: 27660  
Duplicate atom serial number found: 27662  
Duplicate atom serial number found: 27664  
Duplicate atom serial number found: 27666  
Duplicate atom serial number found: 27668  
Ignored bad PDB record found on line 90883  
ATOM 2766a HWS SOL W9975 -84.594 20.849 -53.206 1.00 0.00 H  
  
Ignored bad PDB record found on line 90884  
ATOM 2766c OWS SOL W9976 88.358 -0.606 -65.101 1.00 0.00 O  
  
Ignored bad PDB record found on line 90885  
ATOM 2766e HWS SOL W9976 88.822 -0.482 -65.929 1.00 0.00 H  
  
Duplicate atom serial number found: 27670  
Duplicate atom serial number found: 27672  
Duplicate atom serial number found: 27674  
Duplicate atom serial number found: 27676  
Duplicate atom serial number found: 27678  
Ignored bad PDB record found on line 90891  
ATOM 2767a HWS SOL W9978 -85.259 26.645 -51.452 1.00 0.00 H  
  
Ignored bad PDB record found on line 90892  
ATOM 2767c HWS SOL W9978 -85.047 25.171 -51.721 1.00 0.00 H  
  
Ignored bad PDB record found on line 90893  
ATOM 2767e OWS SOL W9979 -68.526 -1.679 -33.652 1.00 0.00 O  
  
Duplicate atom serial number found: 27680  
Duplicate atom serial number found: 27682  
Duplicate atom serial number found: 27684  
Duplicate atom serial number found: 27686  
Duplicate atom serial number found: 27688  
Ignored bad PDB record found on line 90899  
ATOM 2768a OWS SOL W9981 86.895 -5.054 -63.343 1.00 0.00 O  
  
Ignored bad PDB record found on line 90900  
ATOM 2768c HWS SOL W9981 87.119 -4.434 -64.038 1.00 0.00 H  
  
Ignored bad PDB record found on line 90901  
ATOM 2768e HWS SOL W9981 87.686 -5.111 -62.808 1.00 0.00 H  
  
Duplicate atom serial number found: 27690  
Duplicate atom serial number found: 27692  
Duplicate atom serial number found: 27694  
Duplicate atom serial number found: 27696  
Duplicate atom serial number found: 27698  
Ignored bad PDB record found on line 90907  
ATOM 2769a HWS SOL W9983 88.043 21.524 -56.382 1.00 0.00 H  
  
Ignored bad PDB record found on line 90908  
ATOM 2769c OWS SOL W9984 -86.968 14.973 -32.551 1.00 0.00 O  
  
Ignored bad PDB record found on line 90909  
ATOM 2769e HWS SOL W9984 -86.440 15.478 -33.169 1.00 0.00 H  
  
Ignored bad PDB record found on line 90910  
ATOM 276a0 HWS SOL W9984 -86.392 14.264 -32.266 1.00 0.00 H  
  
Ignored bad PDB record found on line 90911  
ATOM 276a2 OWS SOL W9985 -60.167 -7.933 -26.045 1.00 0.00 O  
  
46 messages similar to the above omitted  
Duplicate atom serial number found: 27700  
Duplicate atom serial number found: 27702  
Duplicate atom serial number found: 27704  
Duplicate atom serial number found: 27706  
Duplicate atom serial number found: 27708  
Ignored bad PDB record found on line 90963  
ATOM 2770a HWS SOL W2712 -89.228 25.754 -43.826 1.00 0.00 H  
  
Ignored bad PDB record found on line 90964  
ATOM 2770c HWS SOL W2712 -89.545 26.878 -44.789 1.00 0.00 H  
  
Ignored bad PDB record found on line 90965  
ATOM 2770e OWS SOL W2713 -74.021 -10.305 -45.656 1.00 0.00 O  
  
Duplicate atom serial number found: 27710  
Duplicate atom serial number found: 27712  
Duplicate atom serial number found: 27714  
Duplicate atom serial number found: 27716  
Duplicate atom serial number found: 27718  
Ignored bad PDB record found on line 90971  
ATOM 2771a OWS SOL W2715 -89.298 -3.099 -67.034 1.00 0.00 O  
  
Ignored bad PDB record found on line 90972  
ATOM 2771c HWS SOL W2715 -89.445 -3.230 -67.971 1.00 0.00 H  
  
Ignored bad PDB record found on line 90973  
ATOM 2771e HWS SOL W2715 -89.570 -2.195 -66.873 1.00 0.00 H  
  
Duplicate atom serial number found: 27720  
Duplicate atom serial number found: 27722  
Duplicate atom serial number found: 27724  
Duplicate atom serial number found: 27726  
Duplicate atom serial number found: 27728  
Ignored bad PDB record found on line 90979  
ATOM 2772a HWS SOL W2717 -82.219 14.360 -46.429 1.00 0.00 H  
  
Ignored bad PDB record found on line 90980  
ATOM 2772c OWS SOL W2718 -61.654 -2.056 -44.888 1.00 0.00 O  
  
Ignored bad PDB record found on line 90981  
ATOM 2772e HWS SOL W2718 -61.680 -2.529 -44.056 1.00 0.00 H  
  
Duplicate atom serial number found: 27730  
Duplicate atom serial number found: 27732  
Duplicate atom serial number found: 27734  
Duplicate atom serial number found: 27736  
Ignored bad PDB record found on line 90986  
ATOM 27738 OWS SOL W271a 76.738 -3.315 -50.551 1.00 0.00 O  
  
Ignored bad PDB record found on line 90987  
ATOM 2773a HWS SOL W271a 77.590 -3.288 -50.115 1.00 0.00 H  
  
Ignored bad PDB record found on line 90988  
ATOM 2773c HWS SOL W271a 76.222 -3.930 -50.031 1.00 0.00 H  
  
Ignored bad PDB record found on line 90989  
ATOM 2773e OWS SOL W271b -72.292 8.002 -37.142 1.00 0.00 O  
  
Ignored bad PDB record found on line 90990  
ATOM 27740 HWS SOL W271b -71.748 7.857 -36.368 1.00 0.00 H  
  
15 messages similar to the above omitted  
Duplicate atom serial number found: 27760  
Duplicate atom serial number found: 27762  
Duplicate atom serial number found: 27764  
Duplicate atom serial number found: 27766  
Duplicate atom serial number found: 27768  
Ignored bad PDB record found on line 91011  
ATOM 2776a HWS SOL W2722 76.857 -2.165 -64.941 1.00 0.00 H  
  
Ignored bad PDB record found on line 91012  
ATOM 2776c HWS SOL W2722 76.236 -0.785 -64.890 1.00 0.00 H  
  
Ignored bad PDB record found on line 91013  
ATOM 2776e OWS SOL W2723 86.624 -4.067 -59.928 1.00 0.00 O  
  
Duplicate atom serial number found: 27770  
Duplicate atom serial number found: 27772  
Duplicate atom serial number found: 27774  
Duplicate atom serial number found: 27776  
Duplicate atom serial number found: 27778  
Ignored bad PDB record found on line 91019  
ATOM 2777a OWS SOL W2725 -61.809 -2.205 -59.474 1.00 0.00 O  
  
Ignored bad PDB record found on line 91020  
ATOM 2777c HWS SOL W2725 -61.323 -1.944 -60.256 1.00 0.00 H  
  
Ignored bad PDB record found on line 91021  
ATOM 2777e HWS SOL W2725 -62.533 -2.735 -59.806 1.00 0.00 H  
  
Duplicate atom serial number found: 27780  
Duplicate atom serial number found: 27782  
Duplicate atom serial number found: 27784  
Duplicate atom serial number found: 27786  
Duplicate atom serial number found: 27788  
Ignored bad PDB record found on line 91027  
ATOM 2778a HWS SOL W2727 -80.151 24.519 -61.239 1.00 0.00 H  
  
Ignored bad PDB record found on line 91028  
ATOM 2778c OWS SOL W2728 -57.950 -6.113 -85.749 1.00 0.00 O  
  
Ignored bad PDB record found on line 91029  
ATOM 2778e HWS SOL W2728 -58.477 -6.362 -86.508 1.00 0.00 H  
  
Duplicate atom serial number found: 27790  
Duplicate atom serial number found: 27792  
Duplicate atom serial number found: 27794  
Duplicate atom serial number found: 27796  
Ignored bad PDB record found on line 91034  
ATOM 27798 OWS SOL W272a -86.893 -29.974 -27.856 1.00 0.00 O  
  
Ignored bad PDB record found on line 91035  
ATOM 2779a HWS SOL W272a -86.612 -30.735 -28.364 1.00 0.00 H  
  
Ignored bad PDB record found on line 91036  
ATOM 2779c HWS SOL W272a -87.843 -30.068 -27.788 1.00 0.00 H  
  
Ignored bad PDB record found on line 91037  
ATOM 2779e OWS SOL W272b -76.534 3.288 -33.520 1.00 0.00 O  
  
Ignored bad PDB record found on line 91038  
ATOM 277a0 HWS SOL W272b -76.086 2.473 -33.294 1.00 0.00 H  
  
58 messages similar to the above omitted  
Duplicate atom serial number found: 27816  
Duplicate atom serial number found: 27818  
Ignored bad PDB record found on line 91099  
ATOM 2781a HWS SOL W2740 -68.491 15.315 -32.754 1.00 0.00 H  
  
Ignored bad PDB record found on line 91100  
ATOM 2781c OWS SOL W2741 -78.072 -7.015 -59.541 1.00 0.00 O  
  
Ignored bad PDB record found on line 91101  
ATOM 2781e HWS SOL W2741 -77.228 -6.828 -59.130 1.00 0.00 H  
  
Duplicate atom serial number found: 27820  
Duplicate atom serial number found: 27822  
Duplicate atom serial number found: 27824  
Duplicate atom serial number found: 27826  
Duplicate atom serial number found: 27828  
Ignored bad PDB record found on line 91107  
ATOM 2782a HWS SOL W2743 -75.491 10.636 -56.381 1.00 0.00 H  
  
Ignored bad PDB record found on line 91108  
ATOM 2782c HWS SOL W2743 -74.997 9.312 -55.837 1.00 0.00 H  
  
Ignored bad PDB record found on line 91109  
ATOM 2782e OWS SOL W2744 -70.773 17.119 -24.025 1.00 0.00 O  
  
Duplicate atom serial number found: 27830  
Duplicate atom serial number found: 27832  
Duplicate atom serial number found: 27834  
Duplicate atom serial number found: 27836  
Duplicate atom serial number found: 27838  
Ignored bad PDB record found on line 91115  
ATOM 2783a OWS SOL W2746 -87.138 22.409 -55.739 1.00 0.00 O  
  
Ignored bad PDB record found on line 91116  
ATOM 2783c HWS SOL W2746 -87.284 23.185 -56.280 1.00 0.00 H  
  
Ignored bad PDB record found on line 91117  
ATOM 2783e HWS SOL W2746 -87.884 21.840 -55.929 1.00 0.00 H  
  
Duplicate atom serial number found: 27840  
Duplicate atom serial number found: 27842  
Duplicate atom serial number found: 27844  
Duplicate atom serial number found: 27846  
Duplicate atom serial number found: 27848  
Ignored bad PDB record found on line 91123  
ATOM 2784a HWS SOL W2748 -60.930 5.880 -37.290 1.00 0.00 H  
  
Ignored bad PDB record found on line 91124  
ATOM 2784c OWS SOL W2749 -79.913 20.446 -79.122 1.00 0.00 O  
  
Ignored bad PDB record found on line 91125  
ATOM 2784e HWS SOL W2749 -79.504 19.787 -78.561 1.00 0.00 H  
  
Duplicate atom serial number found: 27850  
Ignored bad PDB record found on line 91127  
ATOM 27852 OWS SOL W274a -83.636 10.162 -55.455 1.00 0.00 O  
  
Ignored bad PDB record found on line 91128  
ATOM 27854 HWS SOL W274a -84.565 10.011 -55.284 1.00 0.00 H  
  
Ignored bad PDB record found on line 91129  
ATOM 27856 HWS SOL W274a -83.187 9.771 -54.706 1.00 0.00 H  
  
Ignored bad PDB record found on line 91130  
ATOM 27858 OWS SOL W274b -70.480 18.929 -60.463 1.00 0.00 O  
  
Ignored bad PDB record found on line 91131  
ATOM 2785a HWS SOL W274b -71.063 19.597 -60.823 1.00 0.00 H  
  
13 messages similar to the above omitted  
Duplicate atom serial number found: 27876  
Duplicate atom serial number found: 27878  
Ignored bad PDB record found on line 91147  
ATOM 2787a HWS SOL W2750 -67.221 -3.392 -59.380 1.00 0.00 H  
  
Ignored bad PDB record found on line 91148  
ATOM 2787c OWS SOL W2751 -76.658 7.663 -48.264 1.00 0.00 O  
  
Ignored bad PDB record found on line 91149  
ATOM 2787e HWS SOL W2751 -77.043 6.886 -47.859 1.00 0.00 H  
  
Duplicate atom serial number found: 27880  
Duplicate atom serial number found: 27882  
Duplicate atom serial number found: 27884  
Duplicate atom serial number found: 27886  
Duplicate atom serial number found: 27888  
Ignored bad PDB record found on line 91155  
ATOM 2788a HWS SOL W2753 -79.739 -0.211 -40.298 1.00 0.00 H  
  
Ignored bad PDB record found on line 91156  
ATOM 2788c HWS SOL W2753 -79.127 0.981 -39.594 1.00 0.00 H  
  
Ignored bad PDB record found on line 91157  
ATOM 2788e OWS SOL W2754 84.361 5.586 -51.129 1.00 0.00 O  
  
Duplicate atom serial number found: 27890  
Duplicate atom serial number found: 27892  
Duplicate atom serial number found: 27894  
Duplicate atom serial number found: 27896  
Duplicate atom serial number found: 27898  
Ignored bad PDB record found on line 91163  
ATOM 2789a OWS SOL W2756 -81.883 0.832 -61.704 1.00 0.00 O  
  
Ignored bad PDB record found on line 91164  
ATOM 2789c HWS SOL W2756 -81.887 1.312 -62.533 1.00 0.00 H  
  
Ignored bad PDB record found on line 91165  
ATOM 2789e HWS SOL W2756 -81.902 1.513 -61.032 1.00 0.00 H  
  
Ignored bad PDB record found on line 91166  
ATOM 278a0 OWS SOL W2757 -54.499 10.973 -64.675 1.00 0.00 O  
  
Ignored bad PDB record found on line 91167  
ATOM 278a2 HWS SOL W2757 -54.039 10.307 -64.164 1.00 0.00 H  
  
46 messages similar to the above omitted  
Duplicate atom serial number found: 27900  
Duplicate atom serial number found: 27902  
Duplicate atom serial number found: 27904  
Duplicate atom serial number found: 27906  
Duplicate atom serial number found: 27908  
Ignored bad PDB record found on line 91219  
ATOM 2790a HWS SOL W2768 89.182 28.514 -55.201 1.00 0.00 H  
  
Ignored bad PDB record found on line 91220  
ATOM 2790c OWS SOL W2769 -86.120 29.457 -41.868 1.00 0.00 O  
  
Ignored bad PDB record found on line 91221  
ATOM 2790e HWS SOL W2769 -86.675 29.330 -41.098 1.00 0.00 H  
  
Duplicate atom serial number found: 27910  
Ignored bad PDB record found on line 91223  
ATOM 27912 OWS SOL W276a -88.292 12.668 -51.211 1.00 0.00 O  
  
Ignored bad PDB record found on line 91224  
ATOM 27914 HWS SOL W276a -88.900 12.354 -50.542 1.00 0.00 H  
  
Ignored bad PDB record found on line 91225  
ATOM 27916 HWS SOL W276a -88.666 13.498 -51.504 1.00 0.00 H  
  
Ignored bad PDB record found on line 91226  
ATOM 27918 OWS SOL W276b -66.169 3.578 -47.389 1.00 0.00 O  
  
Ignored bad PDB record found on line 91227  
ATOM 2791a HWS SOL W276b -66.874 3.702 -48.024 1.00 0.00 H  
  
13 messages similar to the above omitted  
Duplicate atom serial number found: 27936  
Duplicate atom serial number found: 27938  
Ignored bad PDB record found on line 91243  
ATOM 2793a HWS SOL W2770 -75.121 12.539 -46.166 1.00 0.00 H  
  
Ignored bad PDB record found on line 91244  
ATOM 2793c OWS SOL W2771 -62.652 2.053 -50.355 1.00 0.00 O  
  
Ignored bad PDB record found on line 91245  
ATOM 2793e HWS SOL W2771 -63.015 1.169 -50.304 1.00 0.00 H  
  
Duplicate atom serial number found: 27940  
Duplicate atom serial number found: 27942  
Duplicate atom serial number found: 27944  
Duplicate atom serial number found: 27946  
Duplicate atom serial number found: 27948  
Ignored bad PDB record found on line 91251  
ATOM 2794a HWS SOL W2773 90.199 7.173 -48.229 1.00 0.00 H  
  
Ignored bad PDB record found on line 91252  
ATOM 2794c HWS SOL W2773 88.695 7.053 -48.350 1.00 0.00 H  
  
Ignored bad PDB record found on line 91253  
ATOM 2794e OWS SOL W2774 -89.857 14.285 -47.202 1.00 0.00 O  
  
Duplicate atom serial number found: 27950  
Duplicate atom serial number found: 27952  
Duplicate atom serial number found: 27954  
Duplicate atom serial number found: 27956  
Duplicate atom serial number found: 27958  
Ignored bad PDB record found on line 91259  
ATOM 2795a OWS SOL W2776 -72.701 14.412 -55.295 1.00 0.00 O  
  
Ignored bad PDB record found on line 91260  
ATOM 2795c HWS SOL W2776 -72.362 13.532 -55.459 1.00 0.00 H  
  
Ignored bad PDB record found on line 91261  
ATOM 2795e HWS SOL W2776 -72.154 14.984 -55.834 1.00 0.00 H  
  
Duplicate atom serial number found: 27960  
Duplicate atom serial number found: 27962  
Duplicate atom serial number found: 27964  
Duplicate atom serial number found: 27966  
Duplicate atom serial number found: 27968  
Ignored bad PDB record found on line 91267  
ATOM 2796a HWS SOL W2778 -74.935 21.788 -59.337 1.00 0.00 H  
  
Ignored bad PDB record found on line 91268  
ATOM 2796c OWS SOL W2779 -72.889 -10.814 -41.658 1.00 0.00 O  
  
Ignored bad PDB record found on line 91269  
ATOM 2796e HWS SOL W2779 -72.752 -9.868 -41.711 1.00 0.00 H  
  
Duplicate atom serial number found: 27970  
Ignored bad PDB record found on line 91271  
ATOM 27972 OWS SOL W277a -76.954 -5.859 -33.674 1.00 0.00 O  
  
Ignored bad PDB record found on line 91272  
ATOM 27974 HWS SOL W277a -77.802 -5.596 -34.033 1.00 0.00 H  
  
Ignored bad PDB record found on line 91273  
ATOM 27976 HWS SOL W277a -76.768 -6.700 -34.092 1.00 0.00 H  
  
Ignored bad PDB record found on line 91274  
ATOM 27978 OWS SOL W277b -86.991 10.164 -66.109 1.00 0.00 O  
  
Ignored bad PDB record found on line 91275  
ATOM 2797a HWS SOL W277b -87.001 10.818 -66.808 1.00 0.00 H  
  
13 messages similar to the above omitted  
Duplicate atom serial number found: 27996  
Duplicate atom serial number found: 27998  
Ignored bad PDB record found on line 91291  
ATOM 2799a HWS SOL W2780 -82.865 11.004 -36.734 1.00 0.00 H  
  
Ignored bad PDB record found on line 91292  
ATOM 2799c OWS SOL W2781 -89.437 10.418 -13.999 1.00 0.00 O  
  
Ignored bad PDB record found on line 91293  
ATOM 2799e HWS SOL W2781 -88.687 9.832 -14.100 1.00 0.00 H  
  
Ignored bad PDB record found on line 91294  
ATOM 279a0 HWS SOL W2781 -89.305 11.093 -14.666 1.00 0.00 H  
  
Ignored bad PDB record found on line 91295  
ATOM 279a2 OWS SOL W2782 85.388 0.657 -23.372 1.00 0.00 O  
  
814 messages similar to the above omitted  
Duplicate atom serial number found: 28000  
Duplicate atom serial number found: 28002  
Duplicate atom serial number found: 28004  
Duplicate atom serial number found: 28006  
Duplicate atom serial number found: 28008  
Ignored bad PDB record found on line 92115  
ATOM 2800a HWS SOL W2895 88.272 2.141 -28.037 1.00 0.00 H  
  
Ignored bad PDB record found on line 92116  
ATOM 2800c HWS SOL W2895 87.596 1.376 -26.920 1.00 0.00 H  
  
Ignored bad PDB record found on line 92117  
ATOM 2800e OWS SOL W2896 84.764 -7.454 -44.707 1.00 0.00 O  
  
Duplicate atom serial number found: 28010  
Duplicate atom serial number found: 28012  
Duplicate atom serial number found: 28014  
Duplicate atom serial number found: 28016  
Duplicate atom serial number found: 28018  
Ignored bad PDB record found on line 92123  
ATOM 2801a OWS SOL W2898 -81.171 -8.137 -19.962 1.00 0.00 O  
  
Ignored bad PDB record found on line 92124  
ATOM 2801c HWS SOL W2898 -81.148 -8.835 -20.617 1.00 0.00 H  
  
Ignored bad PDB record found on line 92125  
ATOM 2801e HWS SOL W2898 -82.011 -7.700 -20.107 1.00 0.00 H  
  
Duplicate atom serial number found: 28020  
Duplicate atom serial number found: 28022  
Duplicate atom serial number found: 28024  
Ignored bad PDB record found on line 92129  
ATOM 28026 OWS SOL W289a -85.345 6.122 -21.989 1.00 0.00 O  
  
Ignored bad PDB record found on line 92130  
ATOM 28028 HWS SOL W289a -84.857 5.772 -21.243 1.00 0.00 H  
  
Ignored bad PDB record found on line 92131  
ATOM 2802a HWS SOL W289a -85.040 7.026 -22.072 1.00 0.00 H  
  
Ignored bad PDB record found on line 92132  
ATOM 2802c OWS SOL W289b 88.689 -3.475 -27.385 1.00 0.00 O  
  
Ignored bad PDB record found on line 92133  
ATOM 2802e HWS SOL W289b 89.300 -3.654 -28.100 1.00 0.00 H  
  
304 messages similar to the above omitted  
Duplicate atom serial number found: 28290  
Duplicate atom serial number found: 28292  
Duplicate atom serial number found: 28294  
Duplicate atom serial number found: 28296  
Duplicate atom serial number found: 28298  
Ignored bad PDB record found on line 92443  
ATOM 2829a HWS SOL W2902 -82.400 31.265 -24.630 1.00 0.00 H  
  
Ignored bad PDB record found on line 92444  
ATOM 2829c OWS SOL W2903 -83.106 5.852 -25.862 1.00 0.00 O  
  
Ignored bad PDB record found on line 92445  
ATOM 2829e HWS SOL W2903 -83.765 5.380 -25.355 1.00 0.00 H  
  
Ignored bad PDB record found on line 92446  
ATOM 282a0 HWS SOL W2903 -83.459 6.738 -25.948 1.00 0.00 H  
  
Ignored bad PDB record found on line 92447  
ATOM 282a2 OWS SOL W2904 -68.350 -4.916 -31.867 1.00 0.00 O  
  
46 messages similar to the above omitted  
Duplicate atom serial number found: 28300  
Duplicate atom serial number found: 28302  
Duplicate atom serial number found: 28304  
Duplicate atom serial number found: 28306  
Duplicate atom serial number found: 28308  
Ignored bad PDB record found on line 92499  
ATOM 2830a HWS SOL W2915 -72.720 -18.687 -2.171 1.00 0.00 H  
  
Ignored bad PDB record found on line 92500  
ATOM 2830c HWS SOL W2915 -73.876 -19.491 -2.728 1.00 0.00 H  
  
Ignored bad PDB record found on line 92501  
ATOM 2830e OWS SOL W2916 69.165 23.541 -44.007 1.00 0.00 O  
  
Duplicate atom serial number found: 28310  
Duplicate atom serial number found: 28312  
Duplicate atom serial number found: 28314  
Duplicate atom serial number found: 28316  
Duplicate atom serial number found: 28318  
Ignored bad PDB record found on line 92507  
ATOM 2831a OWS SOL W2918 -70.751 -1.114 -30.787 1.00 0.00 O  
  
Ignored bad PDB record found on line 92508  
ATOM 2831c HWS SOL W2918 -70.401 -1.497 -29.982 1.00 0.00 H  
  
Ignored bad PDB record found on line 92509  
ATOM 2831e HWS SOL W2918 -70.055 -0.537 -31.101 1.00 0.00 H  
  
Duplicate atom serial number found: 28320  
Duplicate atom serial number found: 28322  
Duplicate atom serial number found: 28324  
Ignored bad PDB record found on line 92513  
ATOM 28326 OWS SOL W291a 85.336 6.115 -24.236 1.00 0.00 O  
  
Ignored bad PDB record found on line 92514  
ATOM 28328 HWS SOL W291a 84.833 6.281 -25.034 1.00 0.00 H  
  
Ignored bad PDB record found on line 92515  
ATOM 2832a HWS SOL W291a 85.356 5.161 -24.160 1.00 0.00 H  
  
Ignored bad PDB record found on line 92516  
ATOM 2832c OWS SOL W291b -81.279 9.918 -45.311 1.00 0.00 O  
  
Ignored bad PDB record found on line 92517  
ATOM 2832e HWS SOL W291b -81.999 9.290 -45.360 1.00 0.00 H  
  
16 messages similar to the above omitted  
Duplicate atom serial number found: 28350  
Duplicate atom serial number found: 28352  
Duplicate atom serial number found: 28354  
Duplicate atom serial number found: 28356  
Duplicate atom serial number found: 28358  
Ignored bad PDB record found on line 92539  
ATOM 2835a HWS SOL W2922 -73.344 -10.086 -16.930 1.00 0.00 H  
  
Ignored bad PDB record found on line 92540  
ATOM 2835c OWS SOL W2923 -81.202 25.597 -24.311 1.00 0.00 O  
  
Ignored bad PDB record found on line 92541  
ATOM 2835e HWS SOL W2923 -81.460 24.692 -24.136 1.00 0.00 H  
  
Duplicate atom serial number found: 28360  
Duplicate atom serial number found: 28362  
Duplicate atom serial number found: 28364  
Duplicate atom serial number found: 28366  
Duplicate atom serial number found: 28368  
Ignored bad PDB record found on line 92547  
ATOM 2836a HWS SOL W2925 -78.702 -1.952 -14.519 1.00 0.00 H  
  
Ignored bad PDB record found on line 92548  
ATOM 2836c HWS SOL W2925 -79.853 -2.814 -14.991 1.00 0.00 H  
  
Ignored bad PDB record found on line 92549  
ATOM 2836e OWS SOL W2926 -83.998 16.253 -14.327 1.00 0.00 O  
  
Duplicate atom serial number found: 28370  
Duplicate atom serial number found: 28372  
Duplicate atom serial number found: 28374  
Duplicate atom serial number found: 28376  
Duplicate atom serial number found: 28378  
Ignored bad PDB record found on line 92555  
ATOM 2837a OWS SOL W2928 83.890 20.008 -35.936 1.00 0.00 O  
  
Ignored bad PDB record found on line 92556  
ATOM 2837c HWS SOL W2928 84.099 19.359 -36.608 1.00 0.00 H  
  
Ignored bad PDB record found on line 92557  
ATOM 2837e HWS SOL W2928 83.122 19.653 -35.490 1.00 0.00 H  
  
Duplicate atom serial number found: 28380  
Duplicate atom serial number found: 28382  
Duplicate atom serial number found: 28384  
Ignored bad PDB record found on line 92561  
ATOM 28386 OWS SOL W292a 74.318 4.114 -11.715 1.00 0.00 O  
  
Ignored bad PDB record found on line 92562  
ATOM 28388 HWS SOL W292a 74.164 4.030 -10.774 1.00 0.00 H  
  
Ignored bad PDB record found on line 92563  
ATOM 2838a HWS SOL W292a 75.087 3.569 -11.881 1.00 0.00 H  
  
Ignored bad PDB record found on line 92564  
ATOM 2838c OWS SOL W292b -74.660 -8.312 -19.064 1.00 0.00 O  
  
Ignored bad PDB record found on line 92565  
ATOM 2838e HWS SOL W292b -73.980 -7.884 -19.585 1.00 0.00 H  
  
64 messages similar to the above omitted  
Duplicate atom serial number found: 28410  
Duplicate atom serial number found: 28412  
Duplicate atom serial number found: 28414  
Duplicate atom serial number found: 28416  
Duplicate atom serial number found: 28418  
Ignored bad PDB record found on line 92635  
ATOM 2841a HWS SOL W2942 85.208 -4.254 -21.951 1.00 0.00 H  
  
Ignored bad PDB record found on line 92636  
ATOM 2841c OWS SOL W2943 89.923 6.150 -18.412 1.00 0.00 O  
  
Ignored bad PDB record found on line 92637  
ATOM 2841e HWS SOL W2943 90.222 5.560 -19.104 1.00 0.00 H  
  
Duplicate atom serial number found: 28420  
Duplicate atom serial number found: 28422  
Duplicate atom serial number found: 28424  
Duplicate atom serial number found: 28426  
Duplicate atom serial number found: 28428  
Ignored bad PDB record found on line 92643  
ATOM 2842a HWS SOL W2945 86.666 9.081 -41.071 1.00 0.00 H  
  
Ignored bad PDB record found on line 92644  
ATOM 2842c HWS SOL W2945 85.797 8.220 -40.179 1.00 0.00 H  
  
Ignored bad PDB record found on line 92645  
ATOM 2842e OWS SOL W2946 -86.563 -10.656 -8.933 1.00 0.00 O  
  
Duplicate atom serial number found: 28430  
Duplicate atom serial number found: 28432  
Duplicate atom serial number found: 28434  
Duplicate atom serial number found: 28436  
Duplicate atom serial number found: 28438  
Ignored bad PDB record found on line 92651  
ATOM 2843a OWS SOL W2948 62.351 15.583 -19.482 1.00 0.00 O  
  
Ignored bad PDB record found on line 92652  
ATOM 2843c HWS SOL W2948 62.704 16.443 -19.713 1.00 0.00 H  
  
Ignored bad PDB record found on line 92653  
ATOM 2843e HWS SOL W2948 62.852 14.967 -20.016 1.00 0.00 H  
  
Duplicate atom serial number found: 28440  
Duplicate atom serial number found: 28442  
Duplicate atom serial number found: 28444  
Ignored bad PDB record found on line 92657  
ATOM 28446 OWS SOL W294a -65.446 3.565 -16.072 1.00 0.00 O  
  
Ignored bad PDB record found on line 92658  
ATOM 28448 HWS SOL W294a -64.728 4.185 -16.206 1.00 0.00 H  
  
Ignored bad PDB record found on line 92659  
ATOM 2844a HWS SOL W294a -65.719 3.706 -15.165 1.00 0.00 H  
  
Ignored bad PDB record found on line 92660  
ATOM 2844c OWS SOL W294b -56.066 -4.866 -0.857 1.00 0.00 O  
  
Ignored bad PDB record found on line 92661  
ATOM 2844e HWS SOL W294b -56.415 -5.752 -0.751 1.00 0.00 H  
  
16 messages similar to the above omitted  
Duplicate atom serial number found: 28470  
Duplicate atom serial number found: 28472  
Duplicate atom serial number found: 28474  
Duplicate atom serial number found: 28476  
Duplicate atom serial number found: 28478  
Ignored bad PDB record found on line 92683  
ATOM 2847a HWS SOL W2952 -78.833 11.987 -16.776 1.00 0.00 H  
  
Ignored bad PDB record found on line 92684  
ATOM 2847c OWS SOL W2953 -71.873 -5.174 -10.801 1.00 0.00 O  
  
Ignored bad PDB record found on line 92685  
ATOM 2847e HWS SOL W2953 -71.207 -5.117 -10.116 1.00 0.00 H  
  
Duplicate atom serial number found: 28480  
Duplicate atom serial number found: 28482  
Duplicate atom serial number found: 28484  
Duplicate atom serial number found: 28486  
Duplicate atom serial number found: 28488  
Ignored bad PDB record found on line 92691  
ATOM 2848a HWS SOL W2955 -88.414 17.639 -33.011 1.00 0.00 H  
  
Ignored bad PDB record found on line 92692  
ATOM 2848c HWS SOL W2955 -88.228 16.434 -33.907 1.00 0.00 H  
  
Ignored bad PDB record found on line 92693  
ATOM 2848e OWS SOL W2956 87.183 12.245 -23.750 1.00 0.00 O  
  
Duplicate atom serial number found: 28490  
Duplicate atom serial number found: 28492  
Duplicate atom serial number found: 28494  
Duplicate atom serial number found: 28496  
Duplicate atom serial number found: 28498  
Ignored bad PDB record found on line 92699  
ATOM 2849a OWS SOL W2958 -74.189 -5.655 -31.008 1.00 0.00 O  
  
Ignored bad PDB record found on line 92700  
ATOM 2849c HWS SOL W2958 -75.073 -5.326 -31.170 1.00 0.00 H  
  
Ignored bad PDB record found on line 92701  
ATOM 2849e HWS SOL W2958 -73.777 -4.979 -30.468 1.00 0.00 H  
  
Ignored bad PDB record found on line 92702  
ATOM 284a0 OWS SOL W2959 -79.889 -31.526 -30.292 1.00 0.00 O  
  
Ignored bad PDB record found on line 92703  
ATOM 284a2 HWS SOL W2959 -79.640 -32.428 -30.495 1.00 0.00 H  
  
46 messages similar to the above omitted  
Duplicate atom serial number found: 28500  
Duplicate atom serial number found: 28502  
Duplicate atom serial number found: 28504  
Ignored bad PDB record found on line 92753  
ATOM 28506 OWS SOL W296a -80.963 9.778 -25.362 1.00 0.00 O  
  
Ignored bad PDB record found on line 92754  
ATOM 28508 HWS SOL W296a -81.054 8.983 -24.836 1.00 0.00 H  
  
Ignored bad PDB record found on line 92755  
ATOM 2850a HWS SOL W296a -81.863 10.048 -25.547 1.00 0.00 H  
  
Ignored bad PDB record found on line 92756  
ATOM 2850c OWS SOL W296b -63.297 5.598 -24.989 1.00 0.00 O  
  
Ignored bad PDB record found on line 92757  
ATOM 2850e HWS SOL W296b -63.462 6.207 -25.708 1.00 0.00 H  
  
16 messages similar to the above omitted  
Duplicate atom serial number found: 28530  
Duplicate atom serial number found: 28532  
Duplicate atom serial number found: 28534  
Duplicate atom serial number found: 28536  
Duplicate atom serial number found: 28538  
Ignored bad PDB record found on line 92779  
ATOM 2853a HWS SOL W2972 -63.784 -6.437 -35.594 1.00 0.00 H  
  
Ignored bad PDB record found on line 92780  
ATOM 2853c OWS SOL W2973 87.484 10.509 -18.316 1.00 0.00 O  
  
Ignored bad PDB record found on line 92781  
ATOM 2853e HWS SOL W2973 88.068 10.448 -19.071 1.00 0.00 H  
  
Duplicate atom serial number found: 28540  
Duplicate atom serial number found: 28542  
Duplicate atom serial number found: 28544  
Duplicate atom serial number found: 28546  
Duplicate atom serial number found: 28548  
Ignored bad PDB record found on line 92787  
ATOM 2854a HWS SOL W2975 81.323 2.567 -11.849 1.00 0.00 H  
  
Ignored bad PDB record found on line 92788  
ATOM 2854c HWS SOL W2975 80.022 2.218 -11.157 1.00 0.00 H  
  
Ignored bad PDB record found on line 92789  
ATOM 2854e OWS SOL W2976 -90.152 16.853 -22.526 1.00 0.00 O  
  
Duplicate atom serial number found: 28550  
Duplicate atom serial number found: 28552  
Duplicate atom serial number found: 28554  
Duplicate atom serial number found: 28556  
Duplicate atom serial number found: 28558  
Ignored bad PDB record found on line 92795  
ATOM 2855a OWS SOL W2978 -68.035 -6.976 -26.319 1.00 0.00 O  
  
Ignored bad PDB record found on line 92796  
ATOM 2855c HWS SOL W2978 -67.769 -7.734 -26.839 1.00 0.00 H  
  
Ignored bad PDB record found on line 92797  
ATOM 2855e HWS SOL W2978 -67.236 -6.460 -26.220 1.00 0.00 H  
  
Duplicate atom serial number found: 28560  
Duplicate atom serial number found: 28562  
Duplicate atom serial number found: 28564  
Ignored bad PDB record found on line 92801  
ATOM 28566 OWS SOL W297a -66.288 12.587 -14.827 1.00 0.00 O  
  
Ignored bad PDB record found on line 92802  
ATOM 28568 HWS SOL W297a -67.240 12.499 -14.787 1.00 0.00 H  
  
Ignored bad PDB record found on line 92803  
ATOM 2856a HWS SOL W297a -65.962 11.687 -14.802 1.00 0.00 H  
  
Ignored bad PDB record found on line 92804  
ATOM 2856c OWS SOL W297b 85.191 -29.730 -44.550 1.00 0.00 O  
  
Ignored bad PDB record found on line 92805  
ATOM 2856e HWS SOL W297b 85.994 -30.187 -44.300 1.00 0.00 H  
  
16 messages similar to the above omitted  
Duplicate atom serial number found: 28590  
Duplicate atom serial number found: 28592  
Duplicate atom serial number found: 28594  
Duplicate atom serial number found: 28596  
Duplicate atom serial number found: 28598  
Ignored bad PDB record found on line 92827  
ATOM 2859a HWS SOL W2982 -82.377 3.038 -50.530 1.00 0.00 H  
  
Ignored bad PDB record found on line 92828  
ATOM 2859c OWS SOL W2983 -83.264 1.906 -21.050 1.00 0.00 O  
  
Ignored bad PDB record found on line 92829  
ATOM 2859e HWS SOL W2983 -82.515 2.399 -20.715 1.00 0.00 H  
  
Ignored bad PDB record found on line 92830  
ATOM 285a0 HWS SOL W2983 -82.885 1.298 -21.685 1.00 0.00 H  
  
Ignored bad PDB record found on line 92831  
ATOM 285a2 OWS SOL W2984 -57.727 -0.475 -22.423 1.00 0.00 O  
  
46 messages similar to the above omitted  
Duplicate atom serial number found: 28600  
Duplicate atom serial number found: 28602  
Duplicate atom serial number found: 28604  
Duplicate atom serial number found: 28606  
Duplicate atom serial number found: 28608  
Ignored bad PDB record found on line 92883  
ATOM 2860a HWS SOL W2995 -69.656 4.601 15.726 1.00 0.00 H  
  
Ignored bad PDB record found on line 92884  
ATOM 2860c HWS SOL W2995 -70.933 5.255 16.211 1.00 0.00 H  
  
Ignored bad PDB record found on line 92885  
ATOM 2860e OWS SOL W2996 -80.345 5.224 -19.341 1.00 0.00 O  
  
Duplicate atom serial number found: 28610  
Duplicate atom serial number found: 28612  
Duplicate atom serial number found: 28614  
Duplicate atom serial number found: 28616  
Duplicate atom serial number found: 28618  
Ignored bad PDB record found on line 92891  
ATOM 2861a OWS SOL W2998 -86.546 -12.532 -14.933 1.00 0.00 O  
  
Ignored bad PDB record found on line 92892  
ATOM 2861c HWS SOL W2998 -87.463 -12.562 -14.659 1.00 0.00 H  
  
Ignored bad PDB record found on line 92893  
ATOM 2861e HWS SOL W2998 -86.050 -12.585 -14.116 1.00 0.00 H  
  
Duplicate atom serial number found: 28620  
Duplicate atom serial number found: 28622  
Duplicate atom serial number found: 28624  
Ignored bad PDB record found on line 92897  
ATOM 28626 OWS SOL W299a -73.821 -5.025 0.644 1.00 0.00 O  
  
Ignored bad PDB record found on line 92898  
ATOM 28628 HWS SOL W299a -73.904 -5.895 0.253 1.00 0.00 H  
  
Ignored bad PDB record found on line 92899  
ATOM 2862a HWS SOL W299a -74.034 -5.155 1.568 1.00 0.00 H  
  
Ignored bad PDB record found on line 92900  
ATOM 2862c OWS SOL W299b 86.105 32.551 0.152 1.00 0.00 O  
  
Ignored bad PDB record found on line 92901  
ATOM 2862e HWS SOL W299b 85.468 33.118 0.586 1.00 0.00 H  
  
17905 messages similar to the above omitted  
Duplicate atom serial number found: 31212  
Duplicate atom serial number found: 31214  
Duplicate atom serial number found: 31216  
Duplicate atom serial number found: 31218  
Ignored bad PDB record found on line 110811  
ATOM 3121a HWS SOL W4111 -78.187 55.185 -41.721 1.00 0.00 H  
  
Ignored bad PDB record found on line 110812  
ATOM 3121c HWS SOL W4111 -78.550 55.774 -40.375 1.00 0.00 H  
  
Ignored bad PDB record found on line 110813  
ATOM 3121e OWS SOL W4112 -88.064 49.456 -70.452 1.00 0.00 O  
  
Duplicate atom serial number found: 31220  
Duplicate atom serial number found: 31222  
Duplicate atom serial number found: 31224  
Duplicate atom serial number found: 31226  
Duplicate atom serial number found: 31228  
Ignored bad PDB record found on line 110819  
ATOM 3122a OWS SOL W4114 -55.801 63.625 -56.904 1.00 0.00 O  
  
Ignored bad PDB record found on line 110820  
ATOM 3122c HWS SOL W4114 -55.104 63.714 -56.253 1.00 0.00 H  
  
Ignored bad PDB record found on line 110821  
ATOM 3122e HWS SOL W4114 -55.471 62.972 -57.521 1.00 0.00 H  
  
Duplicate atom serial number found: 31230  
Duplicate atom serial number found: 31232  
Duplicate atom serial number found: 31234  
Duplicate atom serial number found: 31236  
Duplicate atom serial number found: 31238  
Ignored bad PDB record found on line 110827  
ATOM 3123a HWS SOL W4116 -85.515 52.925 -58.667 1.00 0.00 H  
  
Ignored bad PDB record found on line 110828  
ATOM 3123c OWS SOL W4117 -78.600 52.125 -60.084 1.00 0.00 O  
  
Ignored bad PDB record found on line 110829  
ATOM 3123e HWS SOL W4117 -77.798 51.940 -59.596 1.00 0.00 H  
  
Duplicate atom serial number found: 31240  
Duplicate atom serial number found: 31242  
Duplicate atom serial number found: 31244  
Duplicate atom serial number found: 31246  
Duplicate atom serial number found: 31248  
Ignored bad PDB record found on line 110835  
ATOM 3124a HWS SOL W4119 -71.638 31.084 -47.804 1.00 0.00 H  
  
Ignored bad PDB record found on line 110836  
ATOM 3124c HWS SOL W4119 -71.582 32.253 -48.764 1.00 0.00 H  
  
Ignored bad PDB record found on line 110837  
ATOM 3124e OWS SOL W411a -81.162 44.331 -66.062 1.00 0.00 O  
  
Ignored bad PDB record found on line 110838  
ATOM 31250 HWS SOL W411a -80.315 44.322 -65.616 1.00 0.00 H  
  
Ignored bad PDB record found on line 110839  
ATOM 31252 HWS SOL W411a -80.979 43.972 -66.931 1.00 0.00 H  
  
15 messages similar to the above omitted  
Duplicate atom serial number found: 31272  
Duplicate atom serial number found: 31274  
Duplicate atom serial number found: 31276  
Duplicate atom serial number found: 31278  
Ignored bad PDB record found on line 110859  
ATOM 3127a HWS SOL W4121 -79.159 50.641 -48.387 1.00 0.00 H  
  
Ignored bad PDB record found on line 110860  
ATOM 3127c HWS SOL W4121 -79.631 49.685 -47.313 1.00 0.00 H  
  
Ignored bad PDB record found on line 110861  
ATOM 3127e OWS SOL W4122 -78.024 72.415 -47.766 1.00 0.00 O  
  
Duplicate atom serial number found: 31280  
Duplicate atom serial number found: 31282  
Duplicate atom serial number found: 31284  
Duplicate atom serial number found: 31286  
Duplicate atom serial number found: 31288  
Ignored bad PDB record found on line 110867  
ATOM 3128a OWS SOL W4124 -86.949 57.618 -56.018 1.00 0.00 O  
  
Ignored bad PDB record found on line 110868  
ATOM 3128c HWS SOL W4124 -86.207 58.103 -55.658 1.00 0.00 H  
  
Ignored bad PDB record found on line 110869  
ATOM 3128e HWS SOL W4124 -86.576 56.781 -56.296 1.00 0.00 H  
  
Duplicate atom serial number found: 31290  
Duplicate atom serial number found: 31292  
Duplicate atom serial number found: 31294  
Duplicate atom serial number found: 31296  
Duplicate atom serial number found: 31298  
Ignored bad PDB record found on line 110875  
ATOM 3129a HWS SOL W4126 -54.463 38.859 -70.382 1.00 0.00 H  
  
Ignored bad PDB record found on line 110876  
ATOM 3129c OWS SOL W4127 -66.055 46.572 -61.981 1.00 0.00 O  
  
Ignored bad PDB record found on line 110877  
ATOM 3129e HWS SOL W4127 -66.691 46.895 -62.621 1.00 0.00 H  
  
Ignored bad PDB record found on line 110878  
ATOM 312a0 HWS SOL W4127 -65.230 46.529 -62.464 1.00 0.00 H  
  
Ignored bad PDB record found on line 110879  
ATOM 312a2 OWS SOL W4128 83.745 58.951 -43.810 1.00 0.00 O  
  
46 messages similar to the above omitted  
Duplicate atom serial number found: 31300  
Duplicate atom serial number found: 31302  
Duplicate atom serial number found: 31304  
Duplicate atom serial number found: 31306  
Duplicate atom serial number found: 31308  
Ignored bad PDB record found on line 110931  
ATOM 3130a HWS SOL W4139 85.362 36.162 -54.623 1.00 0.00 H  
  
Ignored bad PDB record found on line 110932  
ATOM 3130c HWS SOL W4139 85.044 34.733 -54.238 1.00 0.00 H  
  
Ignored bad PDB record found on line 110933  
ATOM 3130e OWS SOL W413a -83.970 58.373 -64.220 1.00 0.00 O  
  
Ignored bad PDB record found on line 110934  
ATOM 31310 HWS SOL W413a -84.215 58.205 -65.130 1.00 0.00 H  
  
Ignored bad PDB record found on line 110935  
ATOM 31312 HWS SOL W413a -83.015 58.436 -64.236 1.00 0.00 H  
  
15 messages similar to the above omitted  
Duplicate atom serial number found: 31332  
Duplicate atom serial number found: 31334  
Duplicate atom serial number found: 31336  
Duplicate atom serial number found: 31338  
Ignored bad PDB record found on line 110955  
ATOM 3133a HWS SOL W4141 -80.387 51.243 -54.350 1.00 0.00 H  
  
Ignored bad PDB record found on line 110956  
ATOM 3133c HWS SOL W4141 -79.308 52.304 -54.325 1.00 0.00 H  
  
Ignored bad PDB record found on line 110957  
ATOM 3133e OWS SOL W4142 -82.067 71.799 -47.779 1.00 0.00 O  
  
Duplicate atom serial number found: 31340  
Duplicate atom serial number found: 31342  
Duplicate atom serial number found: 31344  
Duplicate atom serial number found: 31346  
Duplicate atom serial number found: 31348  
Ignored bad PDB record found on line 110963  
ATOM 3134a OWS SOL W4144 78.542 43.087 -52.659 1.00 0.00 O  
  
Ignored bad PDB record found on line 110964  
ATOM 3134c HWS SOL W4144 78.637 42.997 -53.608 1.00 0.00 H  
  
Ignored bad PDB record found on line 110965  
ATOM 3134e HWS SOL W4144 78.399 44.023 -52.520 1.00 0.00 H  
  
Duplicate atom serial number found: 31350  
Duplicate atom serial number found: 31352  
Duplicate atom serial number found: 31354  
Duplicate atom serial number found: 31356  
Duplicate atom serial number found: 31358  
Ignored bad PDB record found on line 110971  
ATOM 3135a HWS SOL W4146 82.334 26.105 -72.447 1.00 0.00 H  
  
Ignored bad PDB record found on line 110972  
ATOM 3135c OWS SOL W4147 -82.830 37.172 -53.705 1.00 0.00 O  
  
Ignored bad PDB record found on line 110973  
ATOM 3135e HWS SOL W4147 -83.040 37.307 -52.781 1.00 0.00 H  
  
Duplicate atom serial number found: 31360  
Duplicate atom serial number found: 31362  
Duplicate atom serial number found: 31364  
Duplicate atom serial number found: 31366  
Duplicate atom serial number found: 31368  
Ignored bad PDB record found on line 110979  
ATOM 3136a HWS SOL W4149 -64.349 50.415 -52.375 1.00 0.00 H  
  
Ignored bad PDB record found on line 110980  
ATOM 3136c HWS SOL W4149 -65.307 49.608 -51.524 1.00 0.00 H  
  
Ignored bad PDB record found on line 110981  
ATOM 3136e OWS SOL W414a 80.851 27.823 -57.777 1.00 0.00 O  
  
Ignored bad PDB record found on line 110982  
ATOM 31370 HWS SOL W414a 80.578 28.067 -58.661 1.00 0.00 H  
  
Ignored bad PDB record found on line 110983  
ATOM 31372 HWS SOL W414a 80.249 27.123 -57.525 1.00 0.00 H  
  
15 messages similar to the above omitted  
Duplicate atom serial number found: 31392  
Duplicate atom serial number found: 31394  
Duplicate atom serial number found: 31396  
Duplicate atom serial number found: 31398  
Ignored bad PDB record found on line 111003  
ATOM 3139a HWS SOL W4151 89.321 45.610 -87.657 1.00 0.00 H  
  
Ignored bad PDB record found on line 111004  
ATOM 3139c HWS SOL W4151 90.178 46.799 -87.278 1.00 0.00 H  
  
Ignored bad PDB record found on line 111005  
ATOM 3139e OWS SOL W4152 -90.022 56.337 -48.874 1.00 0.00 O  
  
Ignored bad PDB record found on line 111006  
ATOM 313a0 HWS SOL W4152 -90.338 55.494 -48.547 1.00 0.00 H  
  
Ignored bad PDB record found on line 111007  
ATOM 313a2 HWS SOL W4152 -89.632 56.134 -49.724 1.00 0.00 H  
  
46 messages similar to the above omitted  
Duplicate atom serial number found: 31400  
Duplicate atom serial number found: 31402  
Duplicate atom serial number found: 31404  
Duplicate atom serial number found: 31406  
Duplicate atom serial number found: 31408  
Ignored bad PDB record found on line 111059  
ATOM 3140a OWS SOL W4164 88.578 79.508 -39.454 1.00 0.00 O  
  
Ignored bad PDB record found on line 111060  
ATOM 3140c HWS SOL W4164 88.791 80.335 -39.022 1.00 0.00 H  
  
Ignored bad PDB record found on line 111061  
ATOM 3140e HWS SOL W4164 87.825 79.715 -40.008 1.00 0.00 H  
  
Duplicate atom serial number found: 31410  
Duplicate atom serial number found: 31412  
Duplicate atom serial number found: 31414  
Duplicate atom serial number found: 31416  
Duplicate atom serial number found: 31418  
Ignored bad PDB record found on line 111067  
ATOM 3141a HWS SOL W4166 -85.503 53.140 -72.147 1.00 0.00 H  
  
Ignored bad PDB record found on line 111068  
ATOM 3141c OWS SOL W4167 -81.400 59.047 -65.289 1.00 0.00 O  
  
Ignored bad PDB record found on line 111069  
ATOM 3141e HWS SOL W4167 -81.994 59.544 -65.853 1.00 0.00 H  
  
Duplicate atom serial number found: 31420  
Duplicate atom serial number found: 31422  
Duplicate atom serial number found: 31424  
Duplicate atom serial number found: 31426  
Duplicate atom serial number found: 31428  
Ignored bad PDB record found on line 111075  
ATOM 3142a HWS SOL W4169 -74.771 32.018 -77.900 1.00 0.00 H  
  
Ignored bad PDB record found on line 111076  
ATOM 3142c HWS SOL W4169 -76.200 31.750 -78.321 1.00 0.00 H  
  
Ignored bad PDB record found on line 111077  
ATOM 3142e OWS SOL W416a -83.406 60.088 -52.540 1.00 0.00 O  
  
Ignored bad PDB record found on line 111078  
ATOM 31430 HWS SOL W416a -83.481 59.365 -51.918 1.00 0.00 H  
  
Ignored bad PDB record found on line 111079  
ATOM 31432 HWS SOL W416a -82.469 60.144 -52.731 1.00 0.00 H  
  
15 messages similar to the above omitted  
Duplicate atom serial number found: 31452  
Duplicate atom serial number found: 31454  
Duplicate atom serial number found: 31456  
Duplicate atom serial number found: 31458  
Ignored bad PDB record found on line 111099  
ATOM 3145a HWS SOL W4171 -82.287 71.544 -60.471 1.00 0.00 H  
  
Ignored bad PDB record found on line 111100  
ATOM 3145c HWS SOL W4171 -81.545 72.632 -59.725 1.00 0.00 H  
  
Ignored bad PDB record found on line 111101  
ATOM 3145e OWS SOL W4172 -69.478 57.348 -49.805 1.00 0.00 O  
  
Duplicate atom serial number found: 31460  
Duplicate atom serial number found: 31462  
Duplicate atom serial number found: 31464  
Duplicate atom serial number found: 31466  
Duplicate atom serial number found: 31468  
Ignored bad PDB record found on line 111107  
ATOM 3146a OWS SOL W4174 -56.328 48.256 -58.177 1.00 0.00 O  
  
Ignored bad PDB record found on line 111108  
ATOM 3146c HWS SOL W4174 -55.692 48.534 -57.518 1.00 0.00 H  
  
Ignored bad PDB record found on line 111109  
ATOM 3146e HWS SOL W4174 -56.796 47.529 -57.767 1.00 0.00 H  
  
Duplicate atom serial number found: 31470  
Duplicate atom serial number found: 31472  
Duplicate atom serial number found: 31474  
Duplicate atom serial number found: 31476  
Duplicate atom serial number found: 31478  
Ignored bad PDB record found on line 111115  
ATOM 3147a HWS SOL W4176 87.581 43.063 -73.581 1.00 0.00 H  
  
Ignored bad PDB record found on line 111116  
ATOM 3147c OWS SOL W4177 -78.464 42.116 -58.598 1.00 0.00 O  
  
Ignored bad PDB record found on line 111117  
ATOM 3147e HWS SOL W4177 -78.309 42.708 -59.334 1.00 0.00 H  
  
Duplicate atom serial number found: 31480  
Duplicate atom serial number found: 31482  
Duplicate atom serial number found: 31484  
Duplicate atom serial number found: 31486  
Duplicate atom serial number found: 31488  
Ignored bad PDB record found on line 111123  
ATOM 3148a HWS SOL W4179 -54.466 51.633 -56.105 1.00 0.00 H  
  
Ignored bad PDB record found on line 111124  
ATOM 3148c HWS SOL W4179 -53.939 50.591 -57.069 1.00 0.00 H  
  
Ignored bad PDB record found on line 111125  
ATOM 3148e OWS SOL W417a -68.281 57.688 -52.267 1.00 0.00 O  
  
Ignored bad PDB record found on line 111126  
ATOM 31490 HWS SOL W417a -67.384 57.528 -51.974 1.00 0.00 H  
  
Ignored bad PDB record found on line 111127  
ATOM 31492 HWS SOL W417a -68.828 57.399 -51.537 1.00 0.00 H  
  
63 messages similar to the above omitted  
Duplicate atom serial number found: 31512  
Duplicate atom serial number found: 31514  
Duplicate atom serial number found: 31516  
Duplicate atom serial number found: 31518  
Ignored bad PDB record found on line 111195  
ATOM 3151a HWS SOL W4191 -80.878 77.160 -49.736 1.00 0.00 H  
  
Ignored bad PDB record found on line 111196  
ATOM 3151c HWS SOL W4191 -80.915 78.570 -50.287 1.00 0.00 H  
  
Ignored bad PDB record found on line 111197  
ATOM 3151e OWS SOL W4192 86.617 52.753 -62.570 1.00 0.00 O  
  
Duplicate atom serial number found: 31520  
Duplicate atom serial number found: 31522  
Duplicate atom serial number found: 31524  
Duplicate atom serial number found: 31526  
Duplicate atom serial number found: 31528  
Ignored bad PDB record found on line 111203  
ATOM 3152a OWS SOL W4194 -69.122 48.193 -54.471 1.00 0.00 O  
  
Ignored bad PDB record found on line 111204  
ATOM 3152c HWS SOL W4194 -68.585 47.401 -54.458 1.00 0.00 H  
  
Ignored bad PDB record found on line 111205  
ATOM 3152e HWS SOL W4194 -68.820 48.700 -53.718 1.00 0.00 H  
  
Duplicate atom serial number found: 31530  
Duplicate atom serial number found: 31532  
Duplicate atom serial number found: 31534  
Duplicate atom serial number found: 31536  
Duplicate atom serial number found: 31538  
Ignored bad PDB record found on line 111211  
ATOM 3153a HWS SOL W4196 -70.511 39.397 -57.246 1.00 0.00 H  
  
Ignored bad PDB record found on line 111212  
ATOM 3153c OWS SOL W4197 -88.611 51.533 -41.930 1.00 0.00 O  
  
Ignored bad PDB record found on line 111213  
ATOM 3153e HWS SOL W4197 -88.137 52.362 -42.001 1.00 0.00 H  
  
Duplicate atom serial number found: 31540  
Duplicate atom serial number found: 31542  
Duplicate atom serial number found: 31544  
Duplicate atom serial number found: 31546  
Duplicate atom serial number found: 31548  
Ignored bad PDB record found on line 111219  
ATOM 3154a HWS SOL W4199 -88.349 74.962 -47.189 1.00 0.00 H  
  
Ignored bad PDB record found on line 111220  
ATOM 3154c HWS SOL W4199 -87.970 74.309 -45.877 1.00 0.00 H  
  
Ignored bad PDB record found on line 111221  
ATOM 3154e OWS SOL W419a -68.065 57.401 -63.188 1.00 0.00 O  
  
Ignored bad PDB record found on line 111222  
ATOM 31550 HWS SOL W419a -67.854 57.062 -64.057 1.00 0.00 H  
  
Ignored bad PDB record found on line 111223  
ATOM 31552 HWS SOL W419a -68.715 56.789 -62.842 1.00 0.00 H  
  
351 messages similar to the above omitted  
Duplicate atom serial number found: 31812  
Duplicate atom serial number found: 31814  
Duplicate atom serial number found: 31816  
Duplicate atom serial number found: 31818  
Ignored bad PDB record found on line 111579  
ATOM 3181a HWS SOL W4211 -76.937 58.579 -59.910 1.00 0.00 H  
  
Ignored bad PDB record found on line 111580  
ATOM 3181c HWS SOL W4211 -77.349 59.904 -59.305 1.00 0.00 H  
  
Ignored bad PDB record found on line 111581  
ATOM 3181e OWS SOL W4212 -82.430 59.344 -56.840 1.00 0.00 O  
  
Duplicate atom serial number found: 31820  
Duplicate atom serial number found: 31822  
Duplicate atom serial number found: 31824  
Duplicate atom serial number found: 31826  
Duplicate atom serial number found: 31828  
Ignored bad PDB record found on line 111587  
ATOM 3182a OWS SOL W4214 -63.434 57.915 -44.444 1.00 0.00 O  
  
Ignored bad PDB record found on line 111588  
ATOM 3182c HWS SOL W4214 -63.530 58.699 -43.903 1.00 0.00 H  
  
Ignored bad PDB record found on line 111589  
ATOM 3182e HWS SOL W4214 -62.489 57.771 -44.493 1.00 0.00 H  
  
Duplicate atom serial number found: 31830  
Duplicate atom serial number found: 31832  
Duplicate atom serial number found: 31834  
Duplicate atom serial number found: 31836  
Duplicate atom serial number found: 31838  
Ignored bad PDB record found on line 111595  
ATOM 3183a HWS SOL W4216 -55.442 71.906 -42.350 1.00 0.00 H  
  
Ignored bad PDB record found on line 111596  
ATOM 3183c OWS SOL W4217 -76.212 58.503 -54.159 1.00 0.00 O  
  
Ignored bad PDB record found on line 111597  
ATOM 3183e HWS SOL W4217 -76.573 58.091 -53.374 1.00 0.00 H  
  
Duplicate atom serial number found: 31840  
Duplicate atom serial number found: 31842  
Duplicate atom serial number found: 31844  
Duplicate atom serial number found: 31846  
Duplicate atom serial number found: 31848  
Ignored bad PDB record found on line 111603  
ATOM 3184a HWS SOL W4219 -74.422 74.603 -28.055 1.00 0.00 H  
  
Ignored bad PDB record found on line 111604  
ATOM 3184c HWS SOL W4219 -75.236 73.634 -28.886 1.00 0.00 H  
  
Ignored bad PDB record found on line 111605  
ATOM 3184e OWS SOL W421a -70.488 82.168 -31.013 1.00 0.00 O  
  
Ignored bad PDB record found on line 111606  
ATOM 31850 HWS SOL W421a -70.047 81.889 -30.210 1.00 0.00 H  
  
Ignored bad PDB record found on line 111607  
ATOM 31852 HWS SOL W421a -69.776 82.403 -31.608 1.00 0.00 H  
  
15 messages similar to the above omitted  
Duplicate atom serial number found: 31872  
Duplicate atom serial number found: 31874  
Duplicate atom serial number found: 31876  
Duplicate atom serial number found: 31878  
Ignored bad PDB record found on line 111627  
ATOM 3187a HWS SOL W4221 -88.663 45.966 -75.039 1.00 0.00 H  
  
Ignored bad PDB record found on line 111628  
ATOM 3187c HWS SOL W4221 -89.791 44.983 -75.271 1.00 0.00 H  
  
Ignored bad PDB record found on line 111629  
ATOM 3187e OWS SOL W4222 -70.712 66.503 -45.569 1.00 0.00 O  
  
Duplicate atom serial number found: 31880  
Duplicate atom serial number found: 31882  
Duplicate atom serial number found: 31884  
Duplicate atom serial number found: 31886  
Duplicate atom serial number found: 31888  
Ignored bad PDB record found on line 111635  
ATOM 3188a OWS SOL W4224 -80.548 67.070 -60.123 1.00 0.00 O  
  
Ignored bad PDB record found on line 111636  
ATOM 3188c HWS SOL W4224 -80.627 67.050 -61.077 1.00 0.00 H  
  
Ignored bad PDB record found on line 111637  
ATOM 3188e HWS SOL W4224 -80.731 67.979 -59.886 1.00 0.00 H  
  
Duplicate atom serial number found: 31890  
Duplicate atom serial number found: 31892  
Duplicate atom serial number found: 31894  
Duplicate atom serial number found: 31896  
Duplicate atom serial number found: 31898  
Ignored bad PDB record found on line 111643  
ATOM 3189a HWS SOL W4226 -77.086 48.818 -55.846 1.00 0.00 H  
  
Ignored bad PDB record found on line 111644  
ATOM 3189c OWS SOL W4227 -85.399 50.587 -55.935 1.00 0.00 O  
  
Ignored bad PDB record found on line 111645  
ATOM 3189e HWS SOL W4227 -85.655 50.674 -56.853 1.00 0.00 H  
  
Ignored bad PDB record found on line 111646  
ATOM 318a0 HWS SOL W4227 -86.018 51.142 -55.460 1.00 0.00 H  
  
Ignored bad PDB record found on line 111647  
ATOM 318a2 OWS SOL W4228 -68.526 58.874 -74.561 1.00 0.00 O  
  
46 messages similar to the above omitted  
Duplicate atom serial number found: 31900  
Duplicate atom serial number found: 31902  
Duplicate atom serial number found: 31904  
Duplicate atom serial number found: 31906  
Ignored bad PDB record found on line 111698  
ATOM 31908 OWS SOL W423a -58.087 56.899 -19.998 1.00 0.00 O  
  
Ignored bad PDB record found on line 111699  
ATOM 3190a HWS SOL W423a -58.336 56.129 -19.486 1.00 0.00 H  
  
Ignored bad PDB record found on line 111700  
ATOM 3190c HWS SOL W423a -57.303 56.627 -20.474 1.00 0.00 H  
  
Ignored bad PDB record found on line 111701  
ATOM 3190e OWS SOL W423b -64.082 39.142 -32.310 1.00 0.00 O  
  
Ignored bad PDB record found on line 111702  
ATOM 31910 HWS SOL W423b -63.128 39.194 -32.371 1.00 0.00 H  
  
15 messages similar to the above omitted  
Duplicate atom serial number found: 31930  
Duplicate atom serial number found: 31932  
Duplicate atom serial number found: 31934  
Duplicate atom serial number found: 31936  
Duplicate atom serial number found: 31938  
Ignored bad PDB record found on line 111723  
ATOM 3193a HWS SOL W4242 -61.342 56.818 -47.183 1.00 0.00 H  
  
Ignored bad PDB record found on line 111724  
ATOM 3193c HWS SOL W4242 -61.953 58.065 -47.787 1.00 0.00 H  
  
Ignored bad PDB record found on line 111725  
ATOM 3193e OWS SOL W4243 -87.942 61.612 -15.721 1.00 0.00 O  
  
Duplicate atom serial number found: 31940  
Duplicate atom serial number found: 31942  
Duplicate atom serial number found: 31944  
Duplicate atom serial number found: 31946  
Duplicate atom serial number found: 31948  
Ignored bad PDB record found on line 111731  
ATOM 3194a OWS SOL W4245 -78.657 61.552 -38.522 1.00 0.00 O  
  
Ignored bad PDB record found on line 111732  
ATOM 3194c HWS SOL W4245 -78.169 60.729 -38.496 1.00 0.00 H  
  
Ignored bad PDB record found on line 111733  
ATOM 3194e HWS SOL W4245 -78.035 62.189 -38.874 1.00 0.00 H  
  
Duplicate atom serial number found: 31950  
Duplicate atom serial number found: 31952  
Duplicate atom serial number found: 31954  
Duplicate atom serial number found: 31956  
Duplicate atom serial number found: 31958  
Ignored bad PDB record found on line 111739  
ATOM 3195a HWS SOL W4247 -69.901 36.805 -1.979 1.00 0.00 H  
  
Ignored bad PDB record found on line 111740  
ATOM 3195c OWS SOL W4248 90.038 51.728 -44.046 1.00 0.00 O  
  
Ignored bad PDB record found on line 111741  
ATOM 3195e HWS SOL W4248 89.770 50.820 -44.184 1.00 0.00 H  
  
Duplicate atom serial number found: 31960  
Duplicate atom serial number found: 31962  
Duplicate atom serial number found: 31964  
Duplicate atom serial number found: 31966  
Ignored bad PDB record found on line 111746  
ATOM 31968 OWS SOL W424a 81.574 42.149 -27.529 1.00 0.00 O  
  
Ignored bad PDB record found on line 111747  
ATOM 3196a HWS SOL W424a 81.910 41.963 -26.652 1.00 0.00 H  
  
Ignored bad PDB record found on line 111748  
ATOM 3196c HWS SOL W424a 80.623 42.110 -27.435 1.00 0.00 H  
  
Ignored bad PDB record found on line 111749  
ATOM 3196e OWS SOL W424b 89.585 46.035 -50.440 1.00 0.00 O  
  
Ignored bad PDB record found on line 111750  
ATOM 31970 HWS SOL W424b 89.703 46.699 -51.120 1.00 0.00 H  
  
15 messages similar to the above omitted  
Duplicate atom serial number found: 31990  
Duplicate atom serial number found: 31992  
Duplicate atom serial number found: 31994  
Duplicate atom serial number found: 31996  
Duplicate atom serial number found: 31998  
Ignored bad PDB record found on line 111771  
ATOM 3199a HWS SOL W4252 -74.998 35.665 -8.600 1.00 0.00 H  
  
Ignored bad PDB record found on line 111772  
ATOM 3199c HWS SOL W4252 -74.924 36.903 -9.468 1.00 0.00 H  
  
Ignored bad PDB record found on line 111773  
ATOM 3199e OWS SOL W4253 -82.476 64.661 -33.229 1.00 0.00 O  
  
Ignored bad PDB record found on line 111774  
ATOM 319a0 HWS SOL W4253 -82.494 64.774 -32.278 1.00 0.00 H  
  
Ignored bad PDB record found on line 111775  
ATOM 319a2 HWS SOL W4253 -82.896 63.814 -33.377 1.00 0.00 H  
  
814 messages similar to the above omitted  
Duplicate atom serial number found: 32000  
Duplicate atom serial number found: 32002  
Duplicate atom serial number found: 32004  
Duplicate atom serial number found: 32006  
Duplicate atom serial number found: 32008  
Ignored bad PDB record found on line 112595  
ATOM 3200a OWS SOL W4367 87.349 41.508 -34.692 1.00 0.00 O  
  
Ignored bad PDB record found on line 112596  
ATOM 3200c HWS SOL W4367 88.016 40.887 -34.985 1.00 0.00 H  
  
Ignored bad PDB record found on line 112597  
ATOM 3200e HWS SOL W4367 87.102 41.201 -33.820 1.00 0.00 H  
  
Duplicate atom serial number found: 32010  
Duplicate atom serial number found: 32012  
Duplicate atom serial number found: 32014  
Duplicate atom serial number found: 32016  
Duplicate atom serial number found: 32018  
Ignored bad PDB record found on line 112603  
ATOM 3201a HWS SOL W4369 88.292 62.293 -27.659 1.00 0.00 H  
  
Ignored bad PDB record found on line 112604  
ATOM 3201c OWS SOL W436a -80.287 78.630 -14.316 1.00 0.00 O  
  
Ignored bad PDB record found on line 112605  
ATOM 3201e HWS SOL W436a -80.990 77.988 -14.219 1.00 0.00 H  
  
Ignored bad PDB record found on line 112606  
ATOM 32020 HWS SOL W436a -80.286 79.111 -13.488 1.00 0.00 H  
  
Ignored bad PDB record found on line 112607  
ATOM 32022 OWS SOL W436b -71.582 47.218 -35.341 1.00 0.00 O  
  
14 messages similar to the above omitted  
Duplicate atom serial number found: 32040  
Duplicate atom serial number found: 32042  
Duplicate atom serial number found: 32044  
Duplicate atom serial number found: 32046  
Duplicate atom serial number found: 32048  
Ignored bad PDB record found on line 112627  
ATOM 3204a HWS SOL W4372 -61.545 58.838 -23.605 1.00 0.00 H  
  
Ignored bad PDB record found on line 112628  
ATOM 3204c OWS SOL W4373 -81.662 56.343 -21.152 1.00 0.00 O  
  
Ignored bad PDB record found on line 112629  
ATOM 3204e HWS SOL W4373 -82.520 56.300 -20.730 1.00 0.00 H  
  
Duplicate atom serial number found: 32050  
Duplicate atom serial number found: 32052  
Duplicate atom serial number found: 32054  
Duplicate atom serial number found: 32056  
Duplicate atom serial number found: 32058  
Ignored bad PDB record found on line 112635  
ATOM 3205a HWS SOL W4375 -60.382 50.689 -31.490 1.00 0.00 H  
  
Ignored bad PDB record found on line 112636  
ATOM 3205c HWS SOL W4375 -60.349 49.178 -31.578 1.00 0.00 H  
  
Ignored bad PDB record found on line 112637  
ATOM 3205e OWS SOL W4376 -85.280 60.007 -12.828 1.00 0.00 O  
  
Duplicate atom serial number found: 32060  
Duplicate atom serial number found: 32062  
Duplicate atom serial number found: 32064  
Duplicate atom serial number found: 32066  
Duplicate atom serial number found: 32068  
Ignored bad PDB record found on line 112643  
ATOM 3206a OWS SOL W4378 76.170 56.362 -37.539 1.00 0.00 O  
  
Ignored bad PDB record found on line 112644  
ATOM 3206c HWS SOL W4378 75.659 56.261 -36.736 1.00 0.00 H  
  
Ignored bad PDB record found on line 112645  
ATOM 3206e HWS SOL W4378 77.053 56.082 -37.299 1.00 0.00 H  
  
Duplicate atom serial number found: 32070  
Duplicate atom serial number found: 32072  
Duplicate atom serial number found: 32074  
Ignored bad PDB record found on line 112649  
ATOM 32076 OWS SOL W437a -84.798 42.125 -31.609 1.00 0.00 O  
  
Ignored bad PDB record found on line 112650  
ATOM 32078 HWS SOL W437a -83.855 42.280 -31.570 1.00 0.00 H  
  
Ignored bad PDB record found on line 112651  
ATOM 3207a HWS SOL W437a -84.908 41.230 -31.290 1.00 0.00 H  
  
Ignored bad PDB record found on line 112652  
ATOM 3207c OWS SOL W437b 84.713 70.434 -19.883 1.00 0.00 O  
  
Ignored bad PDB record found on line 112653  
ATOM 3207e HWS SOL W437b 85.219 70.085 -20.616 1.00 0.00 H  
  
64 messages similar to the above omitted  
Duplicate atom serial number found: 32100  
Duplicate atom serial number found: 32102  
Duplicate atom serial number found: 32104  
Duplicate atom serial number found: 32106  
Duplicate atom serial number found: 32108  
Ignored bad PDB record found on line 112723  
ATOM 3210a HWS SOL W4392 -85.320 67.258 -21.538 1.00 0.00 H  
  
Ignored bad PDB record found on line 112724  
ATOM 3210c OWS SOL W4393 -90.020 49.457 -26.684 1.00 0.00 O  
  
Ignored bad PDB record found on line 112725  
ATOM 3210e HWS SOL W4393 -90.800 49.203 -27.178 1.00 0.00 H  
  
Duplicate atom serial number found: 32110  
Duplicate atom serial number found: 32112  
Duplicate atom serial number found: 32114  
Duplicate atom serial number found: 32116  
Duplicate atom serial number found: 32118  
Ignored bad PDB record found on line 112731  
ATOM 3211a HWS SOL W4395 77.349 62.113 -47.508 1.00 0.00 H  
  
Ignored bad PDB record found on line 112732  
ATOM 3211c HWS SOL W4395 77.035 61.099 -46.428 1.00 0.00 H  
  
Ignored bad PDB record found on line 112733  
ATOM 3211e OWS SOL W4396 -72.068 40.846 -10.718 1.00 0.00 O  
  
Duplicate atom serial number found: 32120  
Duplicate atom serial number found: 32122  
Duplicate atom serial number found: 32124  
Duplicate atom serial number found: 32126  
Duplicate atom serial number found: 32128  
Ignored bad PDB record found on line 112739  
ATOM 3212a OWS SOL W4398 -75.242 77.000 -13.032 1.00 0.00 O  
  
Ignored bad PDB record found on line 112740  
ATOM 3212c HWS SOL W4398 -74.515 76.378 -13.069 1.00 0.00 H  
  
Ignored bad PDB record found on line 112741  
ATOM 3212e HWS SOL W4398 -76.004 76.466 -12.809 1.00 0.00 H  
  
Duplicate atom serial number found: 32130  
Duplicate atom serial number found: 32132  
Duplicate atom serial number found: 32134  
Ignored bad PDB record found on line 112745  
ATOM 32136 OWS SOL W439a 77.770 43.550 -18.815 1.00 0.00 O  
  
Ignored bad PDB record found on line 112746  
ATOM 32138 HWS SOL W439a 78.662 43.781 -19.073 1.00 0.00 H  
  
Ignored bad PDB record found on line 112747  
ATOM 3213a HWS SOL W439a 77.850 42.678 -18.429 1.00 0.00 H  
  
Ignored bad PDB record found on line 112748  
ATOM 3213c OWS SOL W439b -78.363 70.468 -35.030 1.00 0.00 O  
  
Ignored bad PDB record found on line 112749  
ATOM 3213e HWS SOL W439b -78.172 69.531 -34.997 1.00 0.00 H  
  
352 messages similar to the above omitted  
Duplicate atom serial number found: 32400  
Duplicate atom serial number found: 32402  
Duplicate atom serial number found: 32404  
Duplicate atom serial number found: 32406  
Duplicate atom serial number found: 32408  
Ignored bad PDB record found on line 113107  
ATOM 3240a HWS SOL W4413 -73.625 44.967 -29.564 1.00 0.00 H  
  
Ignored bad PDB record found on line 113108  
ATOM 3240c OWS SOL W4414 -76.100 70.403 -31.541 1.00 0.00 O  
  
Ignored bad PDB record found on line 113109  
ATOM 3240e HWS SOL W4414 -76.258 71.296 -31.235 1.00 0.00 H  
  
Duplicate atom serial number found: 32410  
Duplicate atom serial number found: 32412  
Duplicate atom serial number found: 32414  
Duplicate atom serial number found: 32416  
Duplicate atom serial number found: 32418  
Ignored bad PDB record found on line 113115  
ATOM 3241a HWS SOL W4416 -87.687 74.008 -14.787 1.00 0.00 H  
  
Ignored bad PDB record found on line 113116  
ATOM 3241c HWS SOL W4416 -86.665 74.952 -15.384 1.00 0.00 H  
  
Ignored bad PDB record found on line 113117  
ATOM 3241e OWS SOL W4417 -78.197 81.711 -26.945 1.00 0.00 O  
  
Duplicate atom serial number found: 32420  
Duplicate atom serial number found: 32422  
Duplicate atom serial number found: 32424  
Duplicate atom serial number found: 32426  
Duplicate atom serial number found: 32428  
Ignored bad PDB record found on line 113123  
ATOM 3242a OWS SOL W4419 -85.846 63.442 -4.725 1.00 0.00 O  
  
Ignored bad PDB record found on line 113124  
ATOM 3242c HWS SOL W4419 -86.750 63.189 -4.538 1.00 0.00 H  
  
Ignored bad PDB record found on line 113125  
ATOM 3242e HWS SOL W4419 -85.655 63.041 -5.573 1.00 0.00 H  
  
Ignored bad PDB record found on line 113126  
ATOM 32430 OWS SOL W441a -78.188 55.918 -12.979 1.00 0.00 O  
  
Ignored bad PDB record found on line 113127  
ATOM 32432 HWS SOL W441a -79.033 55.481 -12.872 1.00 0.00 H  
  
16 messages similar to the above omitted  
Duplicate atom serial number found: 32454  
Duplicate atom serial number found: 32456  
Duplicate atom serial number found: 32458  
Ignored bad PDB record found on line 113147  
ATOM 3245a OWS SOL W4421 85.045 37.179 -44.533 1.00 0.00 O  
  
Ignored bad PDB record found on line 113148  
ATOM 3245c HWS SOL W4421 84.999 37.217 -43.577 1.00 0.00 H  
  
Ignored bad PDB record found on line 113149  
ATOM 3245e HWS SOL W4421 84.179 36.874 -44.803 1.00 0.00 H  
  
Duplicate atom serial number found: 32460  
Duplicate atom serial number found: 32462  
Duplicate atom serial number found: 32464  
Duplicate atom serial number found: 32466  
Duplicate atom serial number found: 32468  
Ignored bad PDB record found on line 113155  
ATOM 3246a HWS SOL W4423 -80.356 25.051 -44.487 1.00 0.00 H  
  
Ignored bad PDB record found on line 113156  
ATOM 3246c OWS SOL W4424 -88.801 80.029 -23.431 1.00 0.00 O  
  
Ignored bad PDB record found on line 113157  
ATOM 3246e HWS SOL W4424 -87.868 80.119 -23.236 1.00 0.00 H  
  
Duplicate atom serial number found: 32470  
Duplicate atom serial number found: 32472  
Duplicate atom serial number found: 32474  
Duplicate atom serial number found: 32476  
Duplicate atom serial number found: 32478  
Ignored bad PDB record found on line 113163  
ATOM 3247a HWS SOL W4426 -79.590 48.148 -34.952 1.00 0.00 H  
  
Ignored bad PDB record found on line 113164  
ATOM 3247c HWS SOL W4426 -79.819 46.818 -34.266 1.00 0.00 H  
  
Ignored bad PDB record found on line 113165  
ATOM 3247e OWS SOL W4427 -77.872 55.294 -33.025 1.00 0.00 O  
  
Duplicate atom serial number found: 32480  
Duplicate atom serial number found: 32482  
Duplicate atom serial number found: 32484  
Duplicate atom serial number found: 32486  
Duplicate atom serial number found: 32488  
Ignored bad PDB record found on line 113171  
ATOM 3248a OWS SOL W4429 -69.270 56.102 -20.641 1.00 0.00 O  
  
Ignored bad PDB record found on line 113172  
ATOM 3248c HWS SOL W4429 -70.177 55.832 -20.790 1.00 0.00 H  
  
Ignored bad PDB record found on line 113173  
ATOM 3248e HWS SOL W4429 -69.094 55.861 -19.732 1.00 0.00 H  
  
Ignored bad PDB record found on line 113174  
ATOM 32490 OWS SOL W442a -76.220 84.857 -20.987 1.00 0.00 O  
  
Ignored bad PDB record found on line 113175  
ATOM 32492 HWS SOL W442a -76.242 85.722 -21.395 1.00 0.00 H  
  
62 messages similar to the above omitted  
Duplicate atom serial number found: 32510  
Duplicate atom serial number found: 32512  
Duplicate atom serial number found: 32514  
Duplicate atom serial number found: 32516  
Duplicate atom serial number found: 32518  
Ignored bad PDB record found on line 113243  
ATOM 3251a OWS SOL W4442 -87.817 55.013 -20.196 1.00 0.00 O  
  
Ignored bad PDB record found on line 113244  
ATOM 3251c HWS SOL W4442 -88.037 54.087 -20.298 1.00 0.00 H  
  
Ignored bad PDB record found on line 113245  
ATOM 3251e HWS SOL W4442 -87.292 55.221 -20.970 1.00 0.00 H  
  
Duplicate atom serial number found: 32520  
Duplicate atom serial number found: 32522  
Duplicate atom serial number found: 32524  
Duplicate atom serial number found: 32526  
Duplicate atom serial number found: 32528  
Ignored bad PDB record found on line 113251  
ATOM 3252a HWS SOL W4444 -74.661 39.674 -26.532 1.00 0.00 H  
  
Ignored bad PDB record found on line 113252  
ATOM 3252c OWS SOL W4445 78.165 50.725 -14.230 1.00 0.00 O  
  
Ignored bad PDB record found on line 113253  
ATOM 3252e HWS SOL W4445 78.329 51.147 -15.073 1.00 0.00 H  
  
Duplicate atom serial number found: 32530  
Duplicate atom serial number found: 32532  
Duplicate atom serial number found: 32534  
Duplicate atom serial number found: 32536  
Duplicate atom serial number found: 32538  
Ignored bad PDB record found on line 113259  
ATOM 3253a HWS SOL W4447 -72.008 57.674 -21.452 1.00 0.00 H  
  
Ignored bad PDB record found on line 113260  
ATOM 3253c HWS SOL W4447 -72.600 57.492 -22.833 1.00 0.00 H  
  
Ignored bad PDB record found on line 113261  
ATOM 3253e OWS SOL W4448 89.477 50.046 7.263 1.00 0.00 O  
  
Duplicate atom serial number found: 32540  
Duplicate atom serial number found: 32542  
Duplicate atom serial number found: 32544  
Duplicate atom serial number found: 32546  
Duplicate atom serial number found: 32548  
Ignored bad PDB record found on line 113267  
ATOM 3254a OWS SOL W444a 87.763 53.727 -8.676 1.00 0.00 O  
  
Ignored bad PDB record found on line 113268  
ATOM 3254c HWS SOL W444a 86.881 54.020 -8.907 1.00 0.00 H  
  
Ignored bad PDB record found on line 113269  
ATOM 3254e HWS SOL W444a 88.103 54.416 -8.105 1.00 0.00 H  
  
Ignored bad PDB record found on line 113270  
ATOM 32550 OWS SOL W444b -68.932 55.896 5.490 1.00 0.00 O  
  
Ignored bad PDB record found on line 113271  
ATOM 32552 HWS SOL W444b -68.813 55.166 6.097 1.00 0.00 H  
  
14 messages similar to the above omitted  
Duplicate atom serial number found: 32570  
Duplicate atom serial number found: 32572  
Duplicate atom serial number found: 32574  
Duplicate atom serial number found: 32576  
Duplicate atom serial number found: 32578  
Ignored bad PDB record found on line 113291  
ATOM 3257a OWS SOL W4452 -74.062 46.617 -1.538 1.00 0.00 O  
  
Ignored bad PDB record found on line 113292  
ATOM 3257c HWS SOL W4452 -73.468 46.132 -0.965 1.00 0.00 H  
  
Ignored bad PDB record found on line 113293  
ATOM 3257e HWS SOL W4452 -74.142 47.478 -1.126 1.00 0.00 H  
  
Duplicate atom serial number found: 32580  
Duplicate atom serial number found: 32582  
Duplicate atom serial number found: 32584  
Duplicate atom serial number found: 32586  
Duplicate atom serial number found: 32588  
Ignored bad PDB record found on line 113299  
ATOM 3258a HWS SOL W4454 -72.528 61.241 -0.260 1.00 0.00 H  
  
Ignored bad PDB record found on line 113300  
ATOM 3258c OWS SOL W4455 -84.155 72.436 10.897 1.00 0.00 O  
  
Ignored bad PDB record found on line 113301  
ATOM 3258e HWS SOL W4455 -83.234 72.633 10.727 1.00 0.00 H  
  
Duplicate atom serial number found: 32590  
Duplicate atom serial number found: 32592  
Duplicate atom serial number found: 32594  
Duplicate atom serial number found: 32596  
Duplicate atom serial number found: 32598  
Ignored bad PDB record found on line 113307  
ATOM 3259a HWS SOL W4457 82.839 84.418 -4.954 1.00 0.00 H  
  
Ignored bad PDB record found on line 113308  
ATOM 3259c HWS SOL W4457 81.863 83.270 -5.100 1.00 0.00 H  
  
Ignored bad PDB record found on line 113309  
ATOM 3259e OWS SOL W4458 -62.230 59.548 1.304 1.00 0.00 O  
  
Ignored bad PDB record found on line 113310  
ATOM 325a0 HWS SOL W4458 -62.085 58.628 1.080 1.00 0.00 H  
  
Ignored bad PDB record found on line 113311  
ATOM 325a2 HWS SOL W4458 -61.379 59.964 1.171 1.00 0.00 H  
  
46 messages similar to the above omitted  
Duplicate atom serial number found: 32600  
Duplicate atom serial number found: 32602  
Duplicate atom serial number found: 32604  
Duplicate atom serial number found: 32606  
Duplicate atom serial number found: 32608  
Ignored bad PDB record found on line 113363  
ATOM 3260a OWS SOL W446a -57.063 41.414 -10.656 1.00 0.00 O  
  
Ignored bad PDB record found on line 113364  
ATOM 3260c HWS SOL W446a -56.252 41.783 -10.306 1.00 0.00 H  
  
Ignored bad PDB record found on line 113365  
ATOM 3260e HWS SOL W446a -57.638 41.333 -9.895 1.00 0.00 H  
  
Ignored bad PDB record found on line 113366  
ATOM 32610 OWS SOL W446b -78.885 53.105 -18.839 1.00 0.00 O  
  
Ignored bad PDB record found on line 113367  
ATOM 32612 HWS SOL W446b -79.734 52.832 -18.493 1.00 0.00 H  
  
14 messages similar to the above omitted  
Duplicate atom serial number found: 32630  
Duplicate atom serial number found: 32632  
Duplicate atom serial number found: 32634  
Duplicate atom serial number found: 32636  
Duplicate atom serial number found: 32638  
Ignored bad PDB record found on line 113387  
ATOM 3263a OWS SOL W4472 -85.451 60.340 -5.240 1.00 0.00 O  
  
Ignored bad PDB record found on line 113388  
ATOM 3263c HWS SOL W4472 -84.499 60.308 -5.335 1.00 0.00 H  
  
Ignored bad PDB record found on line 113389  
ATOM 3263e HWS SOL W4472 -85.742 60.932 -5.933 1.00 0.00 H  
  
Duplicate atom serial number found: 32640  
Duplicate atom serial number found: 32642  
Duplicate atom serial number found: 32644  
Duplicate atom serial number found: 32646  
Duplicate atom serial number found: 32648  
Ignored bad PDB record found on line 113395  
ATOM 3264a HWS SOL W4474 77.701 74.035 -1.711 1.00 0.00 H  
  
Ignored bad PDB record found on line 113396  
ATOM 3264c OWS SOL W4475 -79.364 43.086 11.568 1.00 0.00 O  
  
Ignored bad PDB record found on line 113397  
ATOM 3264e HWS SOL W4475 -79.875 42.488 11.022 1.00 0.00 H  
  
Duplicate atom serial number found: 32650  
Duplicate atom serial number found: 32652  
Duplicate atom serial number found: 32654  
Duplicate atom serial number found: 32656  
Duplicate atom serial number found: 32658  
Ignored bad PDB record found on line 113403  
ATOM 3265a HWS SOL W4477 -64.602 46.541 1.410 1.00 0.00 H  
  
Ignored bad PDB record found on line 113404  
ATOM 3265c HWS SOL W4477 -64.177 46.305 -0.024 1.00 0.00 H  
  
Ignored bad PDB record found on line 113405  
ATOM 3265e OWS SOL W4478 -53.511 42.151 -0.858 1.00 0.00 O  
  
Duplicate atom serial number found: 32660  
Duplicate atom serial number found: 32662  
Duplicate atom serial number found: 32664  
Duplicate atom serial number found: 32666  
Duplicate atom serial number found: 32668  
Ignored bad PDB record found on line 113411  
ATOM 3266a OWS SOL W447a -66.230 38.589 -6.885 1.00 0.00 O  
  
Ignored bad PDB record found on line 113412  
ATOM 3266c HWS SOL W447a -65.450 38.117 -7.176 1.00 0.00 H  
  
Ignored bad PDB record found on line 113413  
ATOM 3266e HWS SOL W447a -66.831 38.541 -7.629 1.00 0.00 H  
  
Ignored bad PDB record found on line 113414  
ATOM 32670 OWS SOL W447b -83.180 77.214 -8.820 1.00 0.00 O  
  
Ignored bad PDB record found on line 113415  
ATOM 32672 HWS SOL W447b -83.889 77.678 -9.265 1.00 0.00 H  
  
14 messages similar to the above omitted  
Duplicate atom serial number found: 32690  
Duplicate atom serial number found: 32692  
Duplicate atom serial number found: 32694  
Duplicate atom serial number found: 32696  
Duplicate atom serial number found: 32698  
Ignored bad PDB record found on line 113435  
ATOM 3269a OWS SOL W4482 -88.875 57.438 -20.341 1.00 0.00 O  
  
Ignored bad PDB record found on line 113436  
ATOM 3269c HWS SOL W4482 -88.446 56.593 -20.203 1.00 0.00 H  
  
Ignored bad PDB record found on line 113437  
ATOM 3269e HWS SOL W4482 -88.372 57.851 -21.042 1.00 0.00 H  
  
Ignored bad PDB record found on line 113438  
ATOM 326a0 OWS SOL W4483 -86.212 74.259 -6.999 1.00 0.00 O  
  
Ignored bad PDB record found on line 113439  
ATOM 326a2 HWS SOL W4483 -87.131 74.524 -7.019 1.00 0.00 H  
  
46 messages similar to the above omitted  
Duplicate atom serial number found: 32700  
Duplicate atom serial number found: 32702  
Duplicate atom serial number found: 32704  
Duplicate atom serial number found: 32706  
Duplicate atom serial number found: 32708  
Ignored bad PDB record found on line 113491  
ATOM 3270a HWS SOL W4494 -79.349 72.668 -6.857 1.00 0.00 H  
  
Ignored bad PDB record found on line 113492  
ATOM 3270c OWS SOL W4495 87.922 71.358 -19.342 1.00 0.00 O  
  
Ignored bad PDB record found on line 113493  
ATOM 3270e HWS SOL W4495 88.106 70.968 -20.197 1.00 0.00 H  
  
Duplicate atom serial number found: 32710  
Duplicate atom serial number found: 32712  
Duplicate atom serial number found: 32714  
Duplicate atom serial number found: 32716  
Duplicate atom serial number found: 32718  
Ignored bad PDB record found on line 113499  
ATOM 3271a HWS SOL W4497 -65.544 69.195 -23.539 1.00 0.00 H  
  
Ignored bad PDB record found on line 113500  
ATOM 3271c HWS SOL W4497 -65.554 70.678 -23.235 1.00 0.00 H  
  
Ignored bad PDB record found on line 113501  
ATOM 3271e OWS SOL W4498 -81.483 36.630 -6.450 1.00 0.00 O  
  
Duplicate atom serial number found: 32720  
Duplicate atom serial number found: 32722  
Duplicate atom serial number found: 32724  
Duplicate atom serial number found: 32726  
Duplicate atom serial number found: 32728  
Ignored bad PDB record found on line 113507  
ATOM 3272a OWS SOL W449a -71.186 80.717 2.463 1.00 0.00 O  
  
Ignored bad PDB record found on line 113508  
ATOM 3272c HWS SOL W449a -70.984 80.274 3.287 1.00 0.00 H  
  
Ignored bad PDB record found on line 113509  
ATOM 3272e HWS SOL W449a -71.775 81.430 2.712 1.00 0.00 H  
  
Ignored bad PDB record found on line 113510  
ATOM 32730 OWS SOL W449b -73.600 44.278 10.440 1.00 0.00 O  
  
Ignored bad PDB record found on line 113511  
ATOM 32732 HWS SOL W449b -72.760 43.986 10.087 1.00 0.00 H  
  
298 messages similar to the above omitted  
Duplicate atom serial number found: 32988  
Ignored bad PDB record found on line 113811  
ATOM 3298a HWS SOL W4500 -63.219 78.144 13.032 1.00 0.00 H  
  
Ignored bad PDB record found on line 113812  
ATOM 3298c HWS SOL W4500 -62.781 76.746 13.412 1.00 0.00 H  
  
Ignored bad PDB record found on line 113813  
ATOM 3298e OWS SOL W4501 86.987 53.278 -19.387 1.00 0.00 O  
  
Duplicate atom serial number found: 32990  
Duplicate atom serial number found: 32992  
Duplicate atom serial number found: 32994  
Duplicate atom serial number found: 32996  
Duplicate atom serial number found: 32998  
Ignored bad PDB record found on line 113819  
ATOM 3299a OWS SOL W4503 86.458 54.037 -15.596 1.00 0.00 O  
  
Ignored bad PDB record found on line 113820  
ATOM 3299c HWS SOL W4503 86.049 54.614 -16.242 1.00 0.00 H  
  
Ignored bad PDB record found on line 113821  
ATOM 3299e HWS SOL W4503 85.759 53.438 -15.333 1.00 0.00 H  
  
Ignored bad PDB record found on line 113822  
ATOM 329a0 OWS SOL W4504 -63.814 61.313 7.631 1.00 0.00 O  
  
Ignored bad PDB record found on line 113823  
ATOM 329a2 HWS SOL W4504 -64.542 61.889 7.395 1.00 0.00 H  
  
814 messages similar to the above omitted  
Duplicate atom serial number found: 33000  
Duplicate atom serial number found: 33002  
Duplicate atom serial number found: 33004  
Duplicate atom serial number found: 33006  
Duplicate atom serial number found: 33008  
Ignored bad PDB record found on line 114643  
ATOM 3300a HWS SOL W4617 -75.637 66.614 15.818 1.00 0.00 H  
  
Ignored bad PDB record found on line 114644  
ATOM 3300c OWS SOL W4618 88.462 49.361 17.691 1.00 0.00 O  
  
Ignored bad PDB record found on line 114645  
ATOM 3300e HWS SOL W4618 87.643 49.456 18.178 1.00 0.00 H  
  
Duplicate atom serial number found: 33010  
Duplicate atom serial number found: 33012  
Duplicate atom serial number found: 33014  
Duplicate atom serial number found: 33016  
Ignored bad PDB record found on line 114650  
ATOM 33018 OWS SOL W461a -77.972 69.613 18.214 1.00 0.00 O  
  
Ignored bad PDB record found on line 114651  
ATOM 3301a HWS SOL W461a -77.867 68.733 17.852 1.00 0.00 H  
  
Ignored bad PDB record found on line 114652  
ATOM 3301c HWS SOL W461a -77.714 70.198 17.502 1.00 0.00 H  
  
Ignored bad PDB record found on line 114653  
ATOM 3301e OWS SOL W461b -83.894 51.693 -22.476 1.00 0.00 O  
  
Ignored bad PDB record found on line 114654  
ATOM 33020 HWS SOL W461b -84.167 52.248 -21.746 1.00 0.00 H  
  
15 messages similar to the above omitted  
Duplicate atom serial number found: 33040  
Duplicate atom serial number found: 33042  
Duplicate atom serial number found: 33044  
Duplicate atom serial number found: 33046  
Duplicate atom serial number found: 33048  
Ignored bad PDB record found on line 114675  
ATOM 3304a HWS SOL W4622 -76.580 50.964 0.556 1.00 0.00 H  
  
Ignored bad PDB record found on line 114676  
ATOM 3304c HWS SOL W4622 -76.172 52.383 0.890 1.00 0.00 H  
  
Ignored bad PDB record found on line 114677  
ATOM 3304e OWS SOL W4623 -70.207 48.888 14.725 1.00 0.00 O  
  
Duplicate atom serial number found: 33050  
Duplicate atom serial number found: 33052  
Duplicate atom serial number found: 33054  
Duplicate atom serial number found: 33056  
Duplicate atom serial number found: 33058  
Ignored bad PDB record found on line 114683  
ATOM 3305a OWS SOL W4625 -89.285 48.200 -14.016 1.00 0.00 O  
  
Ignored bad PDB record found on line 114684  
ATOM 3305c HWS SOL W4625 -89.110 48.146 -14.956 1.00 0.00 H  
  
Ignored bad PDB record found on line 114685  
ATOM 3305e HWS SOL W4625 -88.814 48.982 -13.729 1.00 0.00 H  
  
Duplicate atom serial number found: 33060  
Duplicate atom serial number found: 33062  
Duplicate atom serial number found: 33064  
Duplicate atom serial number found: 33066  
Duplicate atom serial number found: 33068  
Ignored bad PDB record found on line 114691  
ATOM 3306a HWS SOL W4627 -42.422 50.363 18.624 1.00 0.00 H  
  
Ignored bad PDB record found on line 114692  
ATOM 3306c OWS SOL W4628 -69.040 76.933 7.734 1.00 0.00 O  
  
Ignored bad PDB record found on line 114693  
ATOM 3306e HWS SOL W4628 -69.063 76.063 8.132 1.00 0.00 H  
  
Duplicate atom serial number found: 33070  
Duplicate atom serial number found: 33072  
Duplicate atom serial number found: 33074  
Duplicate atom serial number found: 33076  
Ignored bad PDB record found on line 114698  
ATOM 33078 OWS SOL W462a -72.158 -83.125 -17.595 1.00 0.00 O  
  
Ignored bad PDB record found on line 114699  
ATOM 3307a HWS SOL W462a -72.489 -83.157 -16.697 1.00 0.00 H  
  
Ignored bad PDB record found on line 114700  
ATOM 3307c HWS SOL W462a -72.122 -84.041 -17.870 1.00 0.00 H  
  
Ignored bad PDB record found on line 114701  
ATOM 3307e OWS SOL W462b -79.196 77.860 -7.977 1.00 0.00 O  
  
Ignored bad PDB record found on line 114702  
ATOM 33080 HWS SOL W462b -78.252 77.866 -8.133 1.00 0.00 H  
  
63 messages similar to the above omitted  
Duplicate atom serial number found: 33100  
Duplicate atom serial number found: 33102  
Duplicate atom serial number found: 33104  
Duplicate atom serial number found: 33106  
Duplicate atom serial number found: 33108  
Ignored bad PDB record found on line 114771  
ATOM 3310a HWS SOL W4642 -85.799 66.795 0.547 1.00 0.00 H  
  
Ignored bad PDB record found on line 114772  
ATOM 3310c HWS SOL W4642 -84.470 66.112 0.789 1.00 0.00 H  
  
Ignored bad PDB record found on line 114773  
ATOM 3310e OWS SOL W4643 -71.176 52.933 -0.962 1.00 0.00 O  
  
Duplicate atom serial number found: 33110  
Duplicate atom serial number found: 33112  
Duplicate atom serial number found: 33114  
Duplicate atom serial number found: 33116  
Duplicate atom serial number found: 33118  
Ignored bad PDB record found on line 114779  
ATOM 3311a OWS SOL W4645 -81.603 64.797 -12.065 1.00 0.00 O  
  
Ignored bad PDB record found on line 114780  
ATOM 3311c HWS SOL W4645 -82.482 64.632 -11.723 1.00 0.00 H  
  
Ignored bad PDB record found on line 114781  
ATOM 3311e HWS SOL W4645 -81.207 65.394 -11.430 1.00 0.00 H  
  
Duplicate atom serial number found: 33120  
Duplicate atom serial number found: 33122  
Duplicate atom serial number found: 33124  
Duplicate atom serial number found: 33126  
Duplicate atom serial number found: 33128  
Ignored bad PDB record found on line 114787  
ATOM 3312a HWS SOL W4647 -73.639 39.151 17.072 1.00 0.00 H  
  
Ignored bad PDB record found on line 114788  
ATOM 3312c OWS SOL W4648 -85.643 48.688 15.781 1.00 0.00 O  
  
Ignored bad PDB record found on line 114789  
ATOM 3312e HWS SOL W4648 -85.232 49.552 15.813 1.00 0.00 H  
  
Duplicate atom serial number found: 33130  
Duplicate atom serial number found: 33132  
Duplicate atom serial number found: 33134  
Duplicate atom serial number found: 33136  
Ignored bad PDB record found on line 114794  
ATOM 33138 OWS SOL W464a -74.802 78.708 37.113 1.00 0.00 O  
  
Ignored bad PDB record found on line 114795  
ATOM 3313a HWS SOL W464a -75.505 78.212 36.694 1.00 0.00 H  
  
Ignored bad PDB record found on line 114796  
ATOM 3313c HWS SOL W464a -75.247 79.255 37.760 1.00 0.00 H  
  
Ignored bad PDB record found on line 114797  
ATOM 3313e OWS SOL W464b -52.882 63.178 0.086 1.00 0.00 O  
  
Ignored bad PDB record found on line 114798  
ATOM 33140 HWS SOL W464b -53.114 63.589 -0.747 1.00 0.00 H  
  
15 messages similar to the above omitted  
Duplicate atom serial number found: 33160  
Duplicate atom serial number found: 33162  
Duplicate atom serial number found: 33164  
Duplicate atom serial number found: 33166  
Duplicate atom serial number found: 33168  
Ignored bad PDB record found on line 114819  
ATOM 3316a HWS SOL W4652 -69.132 70.102 0.856 1.00 0.00 H  
  
Ignored bad PDB record found on line 114820  
ATOM 3316c HWS SOL W4652 -67.766 70.139 1.507 1.00 0.00 H  
  
Ignored bad PDB record found on line 114821  
ATOM 3316e OWS SOL W4653 -67.111 63.367 -14.937 1.00 0.00 O  
  
Duplicate atom serial number found: 33170  
Duplicate atom serial number found: 33172  
Duplicate atom serial number found: 33174  
Duplicate atom serial number found: 33176  
Duplicate atom serial number found: 33178  
Ignored bad PDB record found on line 114827  
ATOM 3317a OWS SOL W4655 -79.632 66.143 15.367 1.00 0.00 O  
  
Ignored bad PDB record found on line 114828  
ATOM 3317c HWS SOL W4655 -79.386 66.046 16.287 1.00 0.00 H  
  
Ignored bad PDB record found on line 114829  
ATOM 3317e HWS SOL W4655 -79.436 67.058 15.162 1.00 0.00 H  
  
Duplicate atom serial number found: 33180  
Duplicate atom serial number found: 33182  
Duplicate atom serial number found: 33184  
Duplicate atom serial number found: 33186  
Duplicate atom serial number found: 33188  
Ignored bad PDB record found on line 114835  
ATOM 3318a HWS SOL W4657 -77.381 62.994 -5.946 1.00 0.00 H  
  
Ignored bad PDB record found on line 114836  
ATOM 3318c OWS SOL W4658 -83.794 90.002 -0.684 1.00 0.00 O  
  
Ignored bad PDB record found on line 114837  
ATOM 3318e HWS SOL W4658 -83.137 90.174 -0.009 1.00 0.00 H  
  
Duplicate atom serial number found: 33190  
Duplicate atom serial number found: 33192  
Duplicate atom serial number found: 33194  
Duplicate atom serial number found: 33196  
Ignored bad PDB record found on line 114842  
ATOM 33198 OWS SOL W465a -70.803 61.613 -10.145 1.00 0.00 O  
  
Ignored bad PDB record found on line 114843  
ATOM 3319a HWS SOL W465a -69.879 61.375 -10.228 1.00 0.00 H  
  
Ignored bad PDB record found on line 114844  
ATOM 3319c HWS SOL W465a -70.886 62.428 -10.639 1.00 0.00 H  
  
Ignored bad PDB record found on line 114845  
ATOM 3319e OWS SOL W465b -81.748 78.750 -19.407 1.00 0.00 O  
  
Ignored bad PDB record found on line 114846  
ATOM 331a0 HWS SOL W465b -80.887 78.334 -19.439 1.00 0.00 H  
  
63 messages similar to the above omitted  
Duplicate atom serial number found: 33220  
Duplicate atom serial number found: 33222  
Duplicate atom serial number found: 33224  
Duplicate atom serial number found: 33226  
Duplicate atom serial number found: 33228  
Ignored bad PDB record found on line 114915  
ATOM 3322a HWS SOL W4672 -85.776 76.259 16.897 1.00 0.00 H  
  
Ignored bad PDB record found on line 114916  
ATOM 3322c HWS SOL W4672 -86.550 75.364 15.953 1.00 0.00 H  
  
Ignored bad PDB record found on line 114917  
ATOM 3322e OWS SOL W4673 -38.991 43.591 21.918 1.00 0.00 O  
  
Duplicate atom serial number found: 33230  
Duplicate atom serial number found: 33232  
Duplicate atom serial number found: 33234  
Duplicate atom serial number found: 33236  
Duplicate atom serial number found: 33238  
Ignored bad PDB record found on line 114923  
ATOM 3323a OWS SOL W4675 -75.142 62.062 27.329 1.00 0.00 O  
  
Ignored bad PDB record found on line 114924  
ATOM 3323c HWS SOL W4675 -74.962 62.760 27.958 1.00 0.00 H  
  
Ignored bad PDB record found on line 114925  
ATOM 3323e HWS SOL W4675 -75.227 61.272 27.863 1.00 0.00 H  
  
Duplicate atom serial number found: 33240  
Duplicate atom serial number found: 33242  
Duplicate atom serial number found: 33244  
Duplicate atom serial number found: 33246  
Duplicate atom serial number found: 33248  
Ignored bad PDB record found on line 114931  
ATOM 3324a HWS SOL W4677 -71.432 55.624 20.831 1.00 0.00 H  
  
Ignored bad PDB record found on line 114932  
ATOM 3324c OWS SOL W4678 -89.178 38.360 44.016 1.00 0.00 O  
  
Ignored bad PDB record found on line 114933  
ATOM 3324e HWS SOL W4678 -88.231 38.327 44.150 1.00 0.00 H  
  
Duplicate atom serial number found: 33250  
Duplicate atom serial number found: 33252  
Duplicate atom serial number found: 33254  
Duplicate atom serial number found: 33256  
Ignored bad PDB record found on line 114938  
ATOM 33258 OWS SOL W467a -84.345 45.720 37.021 1.00 0.00 O  
  
Ignored bad PDB record found on line 114939  
ATOM 3325a HWS SOL W467a -84.430 44.771 37.109 1.00 0.00 H  
  
Ignored bad PDB record found on line 114940  
ATOM 3325c HWS SOL W467a -83.657 45.840 36.366 1.00 0.00 H  
  
Ignored bad PDB record found on line 114941  
ATOM 3325e OWS SOL W467b -88.040 38.366 15.745 1.00 0.00 O  
  
Ignored bad PDB record found on line 114942  
ATOM 33260 HWS SOL W467b -88.106 38.200 16.686 1.00 0.00 H  
  
15 messages similar to the above omitted  
Duplicate atom serial number found: 33280  
Duplicate atom serial number found: 33282  
Duplicate atom serial number found: 33284  
Duplicate atom serial number found: 33286  
Duplicate atom serial number found: 33288  
Ignored bad PDB record found on line 114963  
ATOM 3328a HWS SOL W4682 -73.859 37.439 26.899 1.00 0.00 H  
  
Ignored bad PDB record found on line 114964  
ATOM 3328c HWS SOL W4682 -73.410 36.744 28.167 1.00 0.00 H  
  
Ignored bad PDB record found on line 114965  
ATOM 3328e OWS SOL W4683 -84.633 44.789 7.717 1.00 0.00 O  
  
Duplicate atom serial number found: 33290  
Duplicate atom serial number found: 33292  
Duplicate atom serial number found: 33294  
Duplicate atom serial number found: 33296  
Duplicate atom serial number found: 33298  
Ignored bad PDB record found on line 114971  
ATOM 3329a OWS SOL W4685 -56.254 58.182 42.167 1.00 0.00 O  
  
Ignored bad PDB record found on line 114972  
ATOM 3329c HWS SOL W4685 -57.185 57.959 42.192 1.00 0.00 H  
  
Ignored bad PDB record found on line 114973  
ATOM 3329e HWS SOL W4685 -56.175 58.948 42.735 1.00 0.00 H  
  
Ignored bad PDB record found on line 114974  
ATOM 332a0 OWS SOL W4686 -65.947 66.920 24.158 1.00 0.00 O  
  
Ignored bad PDB record found on line 114975  
ATOM 332a2 HWS SOL W4686 -66.610 67.520 24.501 1.00 0.00 H  
  
46 messages similar to the above omitted  
Duplicate atom serial number found: 33300  
Duplicate atom serial number found: 33302  
Duplicate atom serial number found: 33304  
Duplicate atom serial number found: 33306  
Duplicate atom serial number found: 33308  
Ignored bad PDB record found on line 115027  
ATOM 3330a HWS SOL W4697 -85.146 58.724 38.409 1.00 0.00 H  
  
Ignored bad PDB record found on line 115028  
ATOM 3330c OWS SOL W4698 -84.909 76.066 33.431 1.00 0.00 O  
  
Ignored bad PDB record found on line 115029  
ATOM 3330e HWS SOL W4698 -85.228 75.557 32.686 1.00 0.00 H  
  
Duplicate atom serial number found: 33310  
Duplicate atom serial number found: 33312  
Duplicate atom serial number found: 33314  
Duplicate atom serial number found: 33316  
Ignored bad PDB record found on line 115034  
ATOM 33318 OWS SOL W469a -72.896 46.029 22.076 1.00 0.00 O  
  
Ignored bad PDB record found on line 115035  
ATOM 3331a HWS SOL W469a -72.625 46.260 21.188 1.00 0.00 H  
  
Ignored bad PDB record found on line 115036  
ATOM 3331c HWS SOL W469a -72.983 46.869 22.527 1.00 0.00 H  
  
Ignored bad PDB record found on line 115037  
ATOM 3331e OWS SOL W469b -79.439 37.758 17.407 1.00 0.00 O  
  
Ignored bad PDB record found on line 115038  
ATOM 33320 HWS SOL W469b -79.566 36.825 17.579 1.00 0.00 H  
  
303 messages similar to the above omitted  
Duplicate atom serial number found: 33580  
Duplicate atom serial number found: 33582  
Duplicate atom serial number found: 33584  
Duplicate atom serial number found: 33586  
Duplicate atom serial number found: 33588  
Ignored bad PDB record found on line 115347  
ATOM 3358a HWS SOL W4702 88.568 43.391 28.980 1.00 0.00 H  
  
Ignored bad PDB record found on line 115348  
ATOM 3358c HWS SOL W4702 88.099 44.755 28.521 1.00 0.00 H  
  
Ignored bad PDB record found on line 115349  
ATOM 3358e OWS SOL W4703 79.943 42.999 42.642 1.00 0.00 O  
  
Duplicate atom serial number found: 33590  
Duplicate atom serial number found: 33592  
Duplicate atom serial number found: 33594  
Duplicate atom serial number found: 33596  
Duplicate atom serial number found: 33598  
Ignored bad PDB record found on line 115355  
ATOM 3359a OWS SOL W4705 -73.927 75.577 17.213 1.00 0.00 O  
  
Ignored bad PDB record found on line 115356  
ATOM 3359c HWS SOL W4705 -74.242 75.055 16.474 1.00 0.00 H  
  
Ignored bad PDB record found on line 115357  
ATOM 3359e HWS SOL W4705 -72.998 75.714 17.030 1.00 0.00 H  
  
Ignored bad PDB record found on line 115358  
ATOM 335a0 OWS SOL W4706 -37.505 69.121 3.882 1.00 0.00 O  
  
Ignored bad PDB record found on line 115359  
ATOM 335a2 HWS SOL W4706 -37.436 68.221 4.201 1.00 0.00 H  
  
46 messages similar to the above omitted  
Duplicate atom serial number found: 33600  
Duplicate atom serial number found: 33602  
Duplicate atom serial number found: 33604  
Duplicate atom serial number found: 33606  
Duplicate atom serial number found: 33608  
Ignored bad PDB record found on line 115411  
ATOM 3360a HWS SOL W4717 -81.009 59.185 14.339 1.00 0.00 H  
  
Ignored bad PDB record found on line 115412  
ATOM 3360c OWS SOL W4718 -69.623 45.248 9.231 1.00 0.00 O  
  
Ignored bad PDB record found on line 115413  
ATOM 3360e HWS SOL W4718 -70.412 45.339 8.698 1.00 0.00 H  
  
Duplicate atom serial number found: 33610  
Duplicate atom serial number found: 33612  
Duplicate atom serial number found: 33614  
Duplicate atom serial number found: 33616  
Ignored bad PDB record found on line 115418  
ATOM 33618 OWS SOL W471a -73.297 60.116 32.746 1.00 0.00 O  
  
Ignored bad PDB record found on line 115419  
ATOM 3361a HWS SOL W471a -73.550 59.209 32.576 1.00 0.00 H  
  
Ignored bad PDB record found on line 115420  
ATOM 3361c HWS SOL W471a -72.343 60.119 32.661 1.00 0.00 H  
  
Ignored bad PDB record found on line 115421  
ATOM 3361e OWS SOL W471b -78.850 52.452 26.367 1.00 0.00 O  
  
Ignored bad PDB record found on line 115422  
ATOM 33620 HWS SOL W471b -79.496 52.624 25.682 1.00 0.00 H  
  
15 messages similar to the above omitted  
Duplicate atom serial number found: 33640  
Duplicate atom serial number found: 33642  
Duplicate atom serial number found: 33644  
Duplicate atom serial number found: 33646  
Duplicate atom serial number found: 33648  
Ignored bad PDB record found on line 115443  
ATOM 3364a HWS SOL W4722 -70.724 48.923 30.081 1.00 0.00 H  
  
Ignored bad PDB record found on line 115444  
ATOM 3364c HWS SOL W4722 -69.906 50.197 30.049 1.00 0.00 H  
  
Ignored bad PDB record found on line 115445  
ATOM 3364e OWS SOL W4723 -81.861 38.994 17.791 1.00 0.00 O  
  
Duplicate atom serial number found: 33650  
Duplicate atom serial number found: 33652  
Duplicate atom serial number found: 33654  
Duplicate atom serial number found: 33656  
Duplicate atom serial number found: 33658  
Ignored bad PDB record found on line 115451  
ATOM 3365a OWS SOL W4725 -72.700 47.059 10.014 1.00 0.00 O  
  
Ignored bad PDB record found on line 115452  
ATOM 3365c HWS SOL W4725 -72.828 46.168 10.339 1.00 0.00 H  
  
Ignored bad PDB record found on line 115453  
ATOM 3365e HWS SOL W4725 -71.903 47.361 10.451 1.00 0.00 H  
  
Duplicate atom serial number found: 33660  
Duplicate atom serial number found: 33662  
Duplicate atom serial number found: 33664  
Duplicate atom serial number found: 33666  
Duplicate atom serial number found: 33668  
Ignored bad PDB record found on line 115459  
ATOM 3366a HWS SOL W4727 -89.448 52.878 19.467 1.00 0.00 H  
  
Ignored bad PDB record found on line 115460  
ATOM 3366c OWS SOL W4728 -75.318 44.877 18.933 1.00 0.00 O  
  
Ignored bad PDB record found on line 115461  
ATOM 3366e HWS SOL W4728 -75.259 44.771 17.983 1.00 0.00 H  
  
Duplicate atom serial number found: 33670  
Duplicate atom serial number found: 33672  
Duplicate atom serial number found: 33674  
Duplicate atom serial number found: 33676  
Ignored bad PDB record found on line 115466  
ATOM 33678 OWS SOL W472a -75.628 48.618 24.729 1.00 0.00 O  
  
Ignored bad PDB record found on line 115467  
ATOM 3367a HWS SOL W472a -75.583 48.026 23.978 1.00 0.00 H  
  
Ignored bad PDB record found on line 115468  
ATOM 3367c HWS SOL W472a -76.535 48.923 24.740 1.00 0.00 H  
  
Ignored bad PDB record found on line 115469  
ATOM 3367e OWS SOL W472b 89.039 26.222 29.772 1.00 0.00 O  
  
Ignored bad PDB record found on line 115470  
ATOM 33680 HWS SOL W472b 89.441 26.150 30.637 1.00 0.00 H  
  
63 messages similar to the above omitted  
Duplicate atom serial number found: 33700  
Duplicate atom serial number found: 33702  
Duplicate atom serial number found: 33704  
Duplicate atom serial number found: 33706  
Duplicate atom serial number found: 33708  
Ignored bad PDB record found on line 115539  
ATOM 3370a HWS SOL W4743 -70.980 80.092 7.819 1.00 0.00 H  
  
Ignored bad PDB record found on line 115540  
ATOM 3370c HWS SOL W4743 -72.425 79.924 7.399 1.00 0.00 H  
  
Ignored bad PDB record found on line 115541  
ATOM 3370e OWS SOL W4744 -86.623 52.434 20.709 1.00 0.00 O  
  
Duplicate atom serial number found: 33710  
Duplicate atom serial number found: 33712  
Duplicate atom serial number found: 33714  
Duplicate atom serial number found: 33716  
Duplicate atom serial number found: 33718  
Ignored bad PDB record found on line 115547  
ATOM 3371a OWS SOL W4746 -82.895 52.325 18.664 1.00 0.00 O  
  
Ignored bad PDB record found on line 115548  
ATOM 3371c HWS SOL W4746 -82.804 51.404 18.908 1.00 0.00 H  
  
Ignored bad PDB record found on line 115549  
ATOM 3371e HWS SOL W4746 -82.068 52.543 18.235 1.00 0.00 H  
  
Duplicate atom serial number found: 33720  
Duplicate atom serial number found: 33722  
Duplicate atom serial number found: 33724  
Duplicate atom serial number found: 33726  
Duplicate atom serial number found: 33728  
Ignored bad PDB record found on line 115555  
ATOM 3372a HWS SOL W4748 -77.605 56.043 21.870 1.00 0.00 H  
  
Ignored bad PDB record found on line 115556  
ATOM 3372c OWS SOL W4749 -90.434 58.087 53.532 1.00 0.00 O  
  
Ignored bad PDB record found on line 115557  
ATOM 3372e HWS SOL W4749 -89.855 57.464 53.094 1.00 0.00 H  
  
Duplicate atom serial number found: 33730  
Ignored bad PDB record found on line 115559  
ATOM 33732 OWS SOL W474a -86.248 44.824 5.131 1.00 0.00 O  
  
Ignored bad PDB record found on line 115560  
ATOM 33734 HWS SOL W474a -85.382 44.990 4.760 1.00 0.00 H  
  
Ignored bad PDB record found on line 115561  
ATOM 33736 HWS SOL W474a -86.782 44.553 4.384 1.00 0.00 H  
  
Ignored bad PDB record found on line 115562  
ATOM 33738 OWS SOL W474b -60.870 46.082 2.511 1.00 0.00 O  
  
Ignored bad PDB record found on line 115563  
ATOM 3373a HWS SOL W474b -59.924 46.218 2.461 1.00 0.00 H  
  
13 messages similar to the above omitted  
Duplicate atom serial number found: 33756  
Duplicate atom serial number found: 33758  
Ignored bad PDB record found on line 115579  
ATOM 3375a HWS SOL W4750 -77.855 34.365 42.897 1.00 0.00 H  
  
Ignored bad PDB record found on line 115580  
ATOM 3375c OWS SOL W4751 -87.157 29.372 29.615 1.00 0.00 O  
  
Ignored bad PDB record found on line 115581  
ATOM 3375e HWS SOL W4751 -87.423 30.279 29.467 1.00 0.00 H  
  
Duplicate atom serial number found: 33760  
Duplicate atom serial number found: 33762  
Duplicate atom serial number found: 33764  
Duplicate atom serial number found: 33766  
Duplicate atom serial number found: 33768  
Ignored bad PDB record found on line 115587  
ATOM 3376a HWS SOL W4753 -76.745 55.714 35.905 1.00 0.00 H  
  
Ignored bad PDB record found on line 115588  
ATOM 3376c HWS SOL W4753 -76.318 55.560 37.350 1.00 0.00 H  
  
Ignored bad PDB record found on line 115589  
ATOM 3376e OWS SOL W4754 -81.925 74.072 10.154 1.00 0.00 O  
  
Duplicate atom serial number found: 33770  
Duplicate atom serial number found: 33772  
Duplicate atom serial number found: 33774  
Duplicate atom serial number found: 33776  
Duplicate atom serial number found: 33778  
Ignored bad PDB record found on line 115595  
ATOM 3377a OWS SOL W4756 -78.115 53.826 53.585 1.00 0.00 O  
  
Ignored bad PDB record found on line 115596  
ATOM 3377c HWS SOL W4756 -79.004 53.864 53.233 1.00 0.00 H  
  
Ignored bad PDB record found on line 115597  
ATOM 3377e HWS SOL W4756 -77.922 54.726 53.847 1.00 0.00 H  
  
Duplicate atom serial number found: 33780  
Duplicate atom serial number found: 33782  
Duplicate atom serial number found: 33784  
Duplicate atom serial number found: 33786  
Duplicate atom serial number found: 33788  
Ignored bad PDB record found on line 115603  
ATOM 3378a HWS SOL W4758 -90.130 56.467 33.740 1.00 0.00 H  
  
Ignored bad PDB record found on line 115604  
ATOM 3378c OWS SOL W4759 86.274 56.658 35.589 1.00 0.00 O  
  
Ignored bad PDB record found on line 115605  
ATOM 3378e HWS SOL W4759 86.948 57.278 35.865 1.00 0.00 H  
  
Duplicate atom serial number found: 33790  
Ignored bad PDB record found on line 115607  
ATOM 33792 OWS SOL W475a -69.235 50.649 16.518 1.00 0.00 O  
  
Ignored bad PDB record found on line 115608  
ATOM 33794 HWS SOL W475a -69.661 50.152 17.217 1.00 0.00 H  
  
Ignored bad PDB record found on line 115609  
ATOM 33796 HWS SOL W475a -69.466 50.181 15.716 1.00 0.00 H  
  
Ignored bad PDB record found on line 115610  
ATOM 33798 OWS SOL W475b -76.805 61.589 17.957 1.00 0.00 O  
  
Ignored bad PDB record found on line 115611  
ATOM 3379a HWS SOL W475b -76.335 61.583 18.792 1.00 0.00 H  
  
58 messages similar to the above omitted  
Duplicate atom serial number found: 33810  
Duplicate atom serial number found: 33812  
Duplicate atom serial number found: 33814  
Duplicate atom serial number found: 33816  
Duplicate atom serial number found: 33818  
Ignored bad PDB record found on line 115675  
ATOM 3381a HWS SOL W4771 -79.043 56.907 50.091 1.00 0.00 H  
  
Ignored bad PDB record found on line 115676  
ATOM 3381c OWS SOL W4772 88.757 53.229 19.815 1.00 0.00 O  
  
Ignored bad PDB record found on line 115677  
ATOM 3381e HWS SOL W4772 88.549 54.163 19.804 1.00 0.00 H  
  
Duplicate atom serial number found: 33820  
Duplicate atom serial number found: 33822  
Duplicate atom serial number found: 33824  
Duplicate atom serial number found: 33826  
Duplicate atom serial number found: 33828  
Ignored bad PDB record found on line 115683  
ATOM 3382a HWS SOL W4774 -80.439 37.982 47.384 1.00 0.00 H  
  
Ignored bad PDB record found on line 115684  
ATOM 3382c HWS SOL W4774 -80.609 37.267 46.061 1.00 0.00 H  
  
Ignored bad PDB record found on line 115685  
ATOM 3382e OWS SOL W4775 -76.317 60.489 24.065 1.00 0.00 O  
  
Duplicate atom serial number found: 33830  
Duplicate atom serial number found: 33832  
Duplicate atom serial number found: 33834  
Duplicate atom serial number found: 33836  
Duplicate atom serial number found: 33838  
Ignored bad PDB record found on line 115691  
ATOM 3383a OWS SOL W4777 -86.126 47.631 33.238 1.00 0.00 O  
  
Ignored bad PDB record found on line 115692  
ATOM 3383c HWS SOL W4777 -86.503 48.102 32.495 1.00 0.00 H  
  
Ignored bad PDB record found on line 115693  
ATOM 3383e HWS SOL W4777 -86.707 47.834 33.971 1.00 0.00 H  
  
Duplicate atom serial number found: 33840  
Duplicate atom serial number found: 33842  
Duplicate atom serial number found: 33844  
Duplicate atom serial number found: 33846  
Duplicate atom serial number found: 33848  
Ignored bad PDB record found on line 115699  
ATOM 3384a HWS SOL W4779 -76.571 57.741 32.285 1.00 0.00 H  
  
Ignored bad PDB record found on line 115700  
ATOM 3384c OWS SOL W477a -67.543 48.372 34.142 1.00 0.00 O  
  
Ignored bad PDB record found on line 115701  
ATOM 3384e HWS SOL W477a -67.637 47.887 34.961 1.00 0.00 H  
  
Ignored bad PDB record found on line 115702  
ATOM 33850 HWS SOL W477a -66.942 47.843 33.617 1.00 0.00 H  
  
Ignored bad PDB record found on line 115703  
ATOM 33852 OWS SOL W477b -63.277 51.457 49.169 1.00 0.00 O  
  
14 messages similar to the above omitted  
Duplicate atom serial number found: 33870  
Duplicate atom serial number found: 33872  
Duplicate atom serial number found: 33874  
Duplicate atom serial number found: 33876  
Duplicate atom serial number found: 33878  
Ignored bad PDB record found on line 115723  
ATOM 3387a HWS SOL W4781 78.037 44.852 35.702 1.00 0.00 H  
  
Ignored bad PDB record found on line 115724  
ATOM 3387c OWS SOL W4782 -81.474 48.392 37.986 1.00 0.00 O  
  
Ignored bad PDB record found on line 115725  
ATOM 3387e HWS SOL W4782 -80.927 48.276 37.209 1.00 0.00 H  
  
Duplicate atom serial number found: 33880  
Duplicate atom serial number found: 33882  
Duplicate atom serial number found: 33884  
Duplicate atom serial number found: 33886  
Duplicate atom serial number found: 33888  
Ignored bad PDB record found on line 115731  
ATOM 3388a HWS SOL W4784 -83.000 46.071 5.336 1.00 0.00 H  
  
Ignored bad PDB record found on line 115732  
ATOM 3388c HWS SOL W4784 -83.873 47.112 4.668 1.00 0.00 H  
  
Ignored bad PDB record found on line 115733  
ATOM 3388e OWS SOL W4785 -69.862 65.954 22.927 1.00 0.00 O  
  
Duplicate atom serial number found: 33890  
Duplicate atom serial number found: 33892  
Duplicate atom serial number found: 33894  
Duplicate atom serial number found: 33896  
Duplicate atom serial number found: 33898  
Ignored bad PDB record found on line 115739  
ATOM 3389a OWS SOL W4787 -73.318 50.888 29.494 1.00 0.00 O  
  
Ignored bad PDB record found on line 115740  
ATOM 3389c HWS SOL W4787 -72.460 50.464 29.535 1.00 0.00 H  
  
Ignored bad PDB record found on line 115741  
ATOM 3389e HWS SOL W4787 -73.881 50.343 30.043 1.00 0.00 H  
  
Ignored bad PDB record found on line 115742  
ATOM 338a0 OWS SOL W4788 -81.931 27.714 51.728 1.00 0.00 O  
  
Ignored bad PDB record found on line 115743  
ATOM 338a2 HWS SOL W4788 -81.369 28.472 51.891 1.00 0.00 H  
  
46 messages similar to the above omitted  
Duplicate atom serial number found: 33900  
Duplicate atom serial number found: 33902  
Duplicate atom serial number found: 33904  
Duplicate atom serial number found: 33906  
Duplicate atom serial number found: 33908  
Ignored bad PDB record found on line 115795  
ATOM 3390a HWS SOL W4799 -74.484 54.870 14.393 1.00 0.00 H  
  
Ignored bad PDB record found on line 115796  
ATOM 3390c OWS SOL W479a -73.284 45.292 37.937 1.00 0.00 O  
  
Ignored bad PDB record found on line 115797  
ATOM 3390e HWS SOL W479a -73.223 44.445 37.495 1.00 0.00 H  
  
Ignored bad PDB record found on line 115798  
ATOM 33910 HWS SOL W479a -73.008 45.114 38.836 1.00 0.00 H  
  
Ignored bad PDB record found on line 115799  
ATOM 33912 OWS SOL W479b -88.194 30.420 43.767 1.00 0.00 O  
  
1062 messages similar to the above omitted  
Duplicate atom serial number found: 34160  
Duplicate atom serial number found: 34162  
Duplicate atom serial number found: 34164  
Duplicate atom serial number found: 34166  
Duplicate atom serial number found: 34168  
Ignored bad PDB record found on line 116867  
ATOM 3416a OWS SOL W4902 -73.469 70.484 55.439 1.00 0.00 O  
  
Ignored bad PDB record found on line 116868  
ATOM 3416c HWS SOL W4902 -74.233 70.503 54.863 1.00 0.00 H  
  
Ignored bad PDB record found on line 116869  
ATOM 3416e HWS SOL W4902 -73.295 71.403 55.639 1.00 0.00 H  
  
Duplicate atom serial number found: 34170  
Duplicate atom serial number found: 34172  
Duplicate atom serial number found: 34174  
Duplicate atom serial number found: 34176  
Duplicate atom serial number found: 34178  
Ignored bad PDB record found on line 116875  
ATOM 3417a HWS SOL W4904 -46.394 43.174 38.594 1.00 0.00 H  
  
Ignored bad PDB record found on line 116876  
ATOM 3417c OWS SOL W4905 82.582 69.941 79.725 1.00 0.00 O  
  
Ignored bad PDB record found on line 116877  
ATOM 3417e HWS SOL W4905 82.154 70.126 78.889 1.00 0.00 H  
  
Duplicate atom serial number found: 34180  
Duplicate atom serial number found: 34182  
Duplicate atom serial number found: 34184  
Duplicate atom serial number found: 34186  
Duplicate atom serial number found: 34188  
Ignored bad PDB record found on line 116883  
ATOM 3418a HWS SOL W4907 71.450 36.595 78.921 1.00 0.00 H  
  
Ignored bad PDB record found on line 116884  
ATOM 3418c HWS SOL W4907 71.768 35.633 77.796 1.00 0.00 H  
  
Ignored bad PDB record found on line 116885  
ATOM 3418e OWS SOL W4908 -84.044 63.352 52.143 1.00 0.00 O  
  
Duplicate atom serial number found: 34190  
Duplicate atom serial number found: 34192  
Duplicate atom serial number found: 34194  
Duplicate atom serial number found: 34196  
Duplicate atom serial number found: 34198  
Ignored bad PDB record found on line 116891  
ATOM 3419a OWS SOL W490a -87.874 62.262 50.047 1.00 0.00 O  
  
Ignored bad PDB record found on line 116892  
ATOM 3419c HWS SOL W490a -88.221 62.511 50.903 1.00 0.00 H  
  
Ignored bad PDB record found on line 116893  
ATOM 3419e HWS SOL W490a -88.120 62.985 49.469 1.00 0.00 H  
  
Ignored bad PDB record found on line 116894  
ATOM 341a0 OWS SOL W490b 78.713 49.322 70.220 1.00 0.00 O  
  
Ignored bad PDB record found on line 116895  
ATOM 341a2 HWS SOL W490b 78.500 48.979 69.352 1.00 0.00 H  
  
62 messages similar to the above omitted  
Duplicate atom serial number found: 34220  
Duplicate atom serial number found: 34222  
Duplicate atom serial number found: 34224  
Duplicate atom serial number found: 34226  
Duplicate atom serial number found: 34228  
Ignored bad PDB record found on line 116963  
ATOM 3422a OWS SOL W4922 84.590 39.226 59.352 1.00 0.00 O  
  
Ignored bad PDB record found on line 116964  
ATOM 3422c HWS SOL W4922 83.674 39.035 59.552 1.00 0.00 H  
  
Ignored bad PDB record found on line 116965  
ATOM 3422e HWS SOL W4922 84.565 40.057 58.877 1.00 0.00 H  
  
Duplicate atom serial number found: 34230  
Duplicate atom serial number found: 34232  
Duplicate atom serial number found: 34234  
Duplicate atom serial number found: 34236  
Duplicate atom serial number found: 34238  
Ignored bad PDB record found on line 116971  
ATOM 3423a HWS SOL W4924 -87.844 49.686 41.982 1.00 0.00 H  
  
Ignored bad PDB record found on line 116972  
ATOM 3423c OWS SOL W4925 88.877 63.804 69.249 1.00 0.00 O  
  
Ignored bad PDB record found on line 116973  
ATOM 3423e HWS SOL W4925 89.303 62.965 69.424 1.00 0.00 H  
  
Duplicate atom serial number found: 34240  
Duplicate atom serial number found: 34242  
Duplicate atom serial number found: 34244  
Duplicate atom serial number found: 34246  
Duplicate atom serial number found: 34248  
Ignored bad PDB record found on line 116979  
ATOM 3424a HWS SOL W4927 90.551 33.763 68.413 1.00 0.00 H  
  
Ignored bad PDB record found on line 116980  
ATOM 3424c HWS SOL W4927 89.309 33.388 69.193 1.00 0.00 H  
  
Ignored bad PDB record found on line 116981  
ATOM 3424e OWS SOL W4928 -52.119 61.563 39.163 1.00 0.00 O  
  
Duplicate atom serial number found: 34250  
Duplicate atom serial number found: 34252  
Duplicate atom serial number found: 34254  
Duplicate atom serial number found: 34256  
Duplicate atom serial number found: 34258  
Ignored bad PDB record found on line 116987  
ATOM 3425a OWS SOL W492a -80.247 47.841 83.292 1.00 0.00 O  
  
Ignored bad PDB record found on line 116988  
ATOM 3425c HWS SOL W492a -80.519 47.834 84.209 1.00 0.00 H  
  
Ignored bad PDB record found on line 116989  
ATOM 3425e HWS SOL W492a -81.041 47.623 82.804 1.00 0.00 H  
  
Ignored bad PDB record found on line 116990  
ATOM 34260 OWS SOL W492b -67.991 48.725 75.116 1.00 0.00 O  
  
Ignored bad PDB record found on line 116991  
ATOM 34262 HWS SOL W492b -68.454 49.519 74.850 1.00 0.00 H  
  
14 messages similar to the above omitted  
Duplicate atom serial number found: 34280  
Duplicate atom serial number found: 34282  
Duplicate atom serial number found: 34284  
Duplicate atom serial number found: 34286  
Duplicate atom serial number found: 34288  
Ignored bad PDB record found on line 117011  
ATOM 3428a OWS SOL W4932 -71.029 80.199 44.946 1.00 0.00 O  
  
Ignored bad PDB record found on line 117012  
ATOM 3428c HWS SOL W4932 -71.910 80.555 44.826 1.00 0.00 H  
  
Ignored bad PDB record found on line 117013  
ATOM 3428e HWS SOL W4932 -70.484 80.965 45.131 1.00 0.00 H  
  
Duplicate atom serial number found: 34290  
Duplicate atom serial number found: 34292  
Duplicate atom serial number found: 34294  
Duplicate atom serial number found: 34296  
Duplicate atom serial number found: 34298  
Ignored bad PDB record found on line 117019  
ATOM 3429a HWS SOL W4934 -52.320 68.659 78.036 1.00 0.00 H  
  
Ignored bad PDB record found on line 117020  
ATOM 3429c OWS SOL W4935 -81.448 67.417 64.907 1.00 0.00 O  
  
Ignored bad PDB record found on line 117021  
ATOM 3429e HWS SOL W4935 -81.744 66.509 64.845 1.00 0.00 H  
  
Ignored bad PDB record found on line 117022  
ATOM 342a0 HWS SOL W4935 -81.728 67.818 64.085 1.00 0.00 H  
  
Ignored bad PDB record found on line 117023  
ATOM 342a2 OWS SOL W4936 89.681 55.075 63.650 1.00 0.00 O  
  
46 messages similar to the above omitted  
Duplicate atom serial number found: 34300  
Duplicate atom serial number found: 34302  
Duplicate atom serial number found: 34304  
Duplicate atom serial number found: 34306  
Duplicate atom serial number found: 34308  
Ignored bad PDB record found on line 117075  
ATOM 3430a HWS SOL W4948 -59.793 50.665 83.493 1.00 0.00 H  
  
Ignored bad PDB record found on line 117076  
ATOM 3430c HWS SOL W4948 -58.646 51.586 83.136 1.00 0.00 H  
  
Ignored bad PDB record found on line 117077  
ATOM 3430e OWS SOL W4949 63.957 72.084 45.258 1.00 0.00 O  
  
Duplicate atom serial number found: 34310  
Duplicate atom serial number found: 34312  
Ignored bad PDB record found on line 117080  
ATOM 34314 OWS SOL W494a -85.142 75.814 51.275 1.00 0.00 O  
  
Ignored bad PDB record found on line 117081  
ATOM 34316 HWS SOL W494a -85.911 76.234 50.889 1.00 0.00 H  
  
Ignored bad PDB record found on line 117082  
ATOM 34318 HWS SOL W494a -84.538 76.535 51.451 1.00 0.00 H  
  
Ignored bad PDB record found on line 117083  
ATOM 3431a OWS SOL W494b -85.035 54.495 54.713 1.00 0.00 O  
  
Ignored bad PDB record found on line 117084  
ATOM 3431c HWS SOL W494b -85.791 54.401 54.133 1.00 0.00 H  
  
13 messages similar to the above omitted  
Duplicate atom serial number found: 34338  
Ignored bad PDB record found on line 117099  
ATOM 3433a HWS SOL W4950 -62.141 65.037 62.483 1.00 0.00 H  
  
Ignored bad PDB record found on line 117100  
ATOM 3433c HWS SOL W4950 -60.829 64.741 61.788 1.00 0.00 H  
  
Ignored bad PDB record found on line 117101  
ATOM 3433e OWS SOL W4951 -75.629 46.730 52.280 1.00 0.00 O  
  
Duplicate atom serial number found: 34340  
Duplicate atom serial number found: 34342  
Duplicate atom serial number found: 34344  
Duplicate atom serial number found: 34346  
Duplicate atom serial number found: 34348  
Ignored bad PDB record found on line 117107  
ATOM 3434a OWS SOL W4953 -83.611 74.112 48.148 1.00 0.00 O  
  
Ignored bad PDB record found on line 117108  
ATOM 3434c HWS SOL W4953 -84.370 73.631 48.477 1.00 0.00 H  
  
Ignored bad PDB record found on line 117109  
ATOM 3434e HWS SOL W4953 -82.857 73.593 48.429 1.00 0.00 H  
  
Duplicate atom serial number found: 34350  
Duplicate atom serial number found: 34352  
Duplicate atom serial number found: 34354  
Duplicate atom serial number found: 34356  
Duplicate atom serial number found: 34358  
Ignored bad PDB record found on line 117115  
ATOM 3435a HWS SOL W4955 -86.111 64.879 49.870 1.00 0.00 H  
  
Ignored bad PDB record found on line 117116  
ATOM 3435c OWS SOL W4956 63.437 59.584 77.090 1.00 0.00 O  
  
Ignored bad PDB record found on line 117117  
ATOM 3435e HWS SOL W4956 63.492 59.068 76.286 1.00 0.00 H  
  
Duplicate atom serial number found: 34360  
Duplicate atom serial number found: 34362  
Duplicate atom serial number found: 34364  
Duplicate atom serial number found: 34366  
Duplicate atom serial number found: 34368  
Ignored bad PDB record found on line 117123  
ATOM 3436a HWS SOL W4959 -74.292 50.486 74.715 1.00 0.00 H  
  
Ignored bad PDB record found on line 117124  
ATOM 3436c HWS SOL W4959 -73.888 51.538 73.704 1.00 0.00 H  
  
Ignored bad PDB record found on line 117125  
ATOM 3436e OWS SOL W495a 85.365 27.863 -85.733 1.00 0.00 O  
  
Ignored bad PDB record found on line 117126  
ATOM 34370 HWS SOL W495a 86.226 27.498 -85.936 1.00 0.00 H  
  
Ignored bad PDB record found on line 117127  
ATOM 34372 HWS SOL W495a 85.209 28.509 -86.422 1.00 0.00 H  
  
15 messages similar to the above omitted  
Duplicate atom serial number found: 34392  
Duplicate atom serial number found: 34394  
Duplicate atom serial number found: 34396  
Duplicate atom serial number found: 34398  
Ignored bad PDB record found on line 117147  
ATOM 3439a HWS SOL W4961 -67.876 78.285 55.095 1.00 0.00 H  
  
Ignored bad PDB record found on line 117148  
ATOM 3439c HWS SOL W4961 -67.118 77.704 56.270 1.00 0.00 H  
  
Ignored bad PDB record found on line 117149  
ATOM 3439e OWS SOL W4962 -63.927 55.974 51.272 1.00 0.00 O  
  
Ignored bad PDB record found on line 117150  
ATOM 343a0 HWS SOL W4962 -62.985 55.926 51.438 1.00 0.00 H  
  
Ignored bad PDB record found on line 117151  
ATOM 343a2 HWS SOL W4962 -64.235 55.074 51.377 1.00 0.00 H  
  
46 messages similar to the above omitted  
Duplicate atom serial number found: 34400  
Duplicate atom serial number found: 34402  
Duplicate atom serial number found: 34404  
Duplicate atom serial number found: 34406  
Duplicate atom serial number found: 34408  
Ignored bad PDB record found on line 117203  
ATOM 3440a OWS SOL W4976 85.928 59.230 61.807 1.00 0.00 O  
  
Ignored bad PDB record found on line 117204  
ATOM 3440c HWS SOL W4976 85.122 59.622 62.142 1.00 0.00 H  
  
Ignored bad PDB record found on line 117205  
ATOM 3440e HWS SOL W4976 85.836 59.268 60.855 1.00 0.00 H  
  
Duplicate atom serial number found: 34410  
Duplicate atom serial number found: 34412  
Duplicate atom serial number found: 34414  
Duplicate atom serial number found: 34416  
Duplicate atom serial number found: 34418  
Ignored bad PDB record found on line 117211  
ATOM 3441a HWS SOL W4978 77.787 41.275 57.033 1.00 0.00 H  
  
Ignored bad PDB record found on line 117212  
ATOM 3441c OWS SOL W4979 -82.097 56.232 57.121 1.00 0.00 O  
  
Ignored bad PDB record found on line 117213  
ATOM 3441e HWS SOL W4979 -82.849 55.671 57.311 1.00 0.00 H  
  
Duplicate atom serial number found: 34420  
Ignored bad PDB record found on line 117215  
ATOM 34422 OWS SOL W497a -85.340 47.422 63.946 1.00 0.00 O  
  
Ignored bad PDB record found on line 117216  
ATOM 34424 HWS SOL W497a -85.377 48.066 63.238 1.00 0.00 H  
  
Ignored bad PDB record found on line 117217  
ATOM 34426 HWS SOL W497a -84.412 47.369 64.175 1.00 0.00 H  
  
Ignored bad PDB record found on line 117218  
ATOM 34428 OWS SOL W497b -70.944 63.054 78.578 1.00 0.00 O  
  
Ignored bad PDB record found on line 117219  
ATOM 3442a HWS SOL W497b -70.999 63.036 79.534 1.00 0.00 H  
  
13 messages similar to the above omitted  
Duplicate atom serial number found: 34446  
Duplicate atom serial number found: 34448  
Ignored bad PDB record found on line 117235  
ATOM 3444a HWS SOL W4980 87.616 57.164 60.651 1.00 0.00 H  
  
Ignored bad PDB record found on line 117236  
ATOM 3444c OWS SOL W4981 -72.973 58.110 60.282 1.00 0.00 O  
  
Ignored bad PDB record found on line 117237  
ATOM 3444e HWS SOL W4981 -73.780 58.374 60.724 1.00 0.00 H  
  
Duplicate atom serial number found: 34450  
Duplicate atom serial number found: 34452  
Duplicate atom serial number found: 34454  
Duplicate atom serial number found: 34456  
Duplicate atom serial number found: 34458  
Ignored bad PDB record found on line 117243  
ATOM 3445a HWS SOL W4983 -70.533 55.238 43.402 1.00 0.00 H  
  
Ignored bad PDB record found on line 117244  
ATOM 3445c HWS SOL W4983 -70.612 54.372 42.163 1.00 0.00 H  
  
Ignored bad PDB record found on line 117245  
ATOM 3445e OWS SOL W4984 -88.031 74.008 62.497 1.00 0.00 O  
  
Duplicate atom serial number found: 34460  
Duplicate atom serial number found: 34462  
Duplicate atom serial number found: 34464  
Duplicate atom serial number found: 34466  
Duplicate atom serial number found: 34468  
Ignored bad PDB record found on line 117251  
ATOM 3446a OWS SOL W4986 -85.874 40.750 55.822 1.00 0.00 O  
  
Ignored bad PDB record found on line 117252  
ATOM 3446c HWS SOL W4986 -86.114 40.208 55.071 1.00 0.00 H  
  
Ignored bad PDB record found on line 117253  
ATOM 3446e HWS SOL W4986 -85.140 41.280 55.511 1.00 0.00 H  
  
Duplicate atom serial number found: 34470  
Duplicate atom serial number found: 34472  
Duplicate atom serial number found: 34474  
Duplicate atom serial number found: 34476  
Duplicate atom serial number found: 34478  
Ignored bad PDB record found on line 117259  
ATOM 3447a HWS SOL W4988 -68.551 64.221 65.158 1.00 0.00 H  
  
Ignored bad PDB record found on line 117260  
ATOM 3447c OWS SOL W4989 -86.357 79.365 47.379 1.00 0.00 O  
  
Ignored bad PDB record found on line 117261  
ATOM 3447e HWS SOL W4989 -86.652 80.191 46.996 1.00 0.00 H  
  
Duplicate atom serial number found: 34480  
Ignored bad PDB record found on line 117263  
ATOM 34482 OWS SOL W498a -72.335 68.210 56.821 1.00 0.00 O  
  
Ignored bad PDB record found on line 117264  
ATOM 34484 HWS SOL W498a -72.510 68.442 57.733 1.00 0.00 H  
  
Ignored bad PDB record found on line 117265  
ATOM 34486 HWS SOL W498a -72.644 68.964 56.318 1.00 0.00 H  
  
Ignored bad PDB record found on line 117266  
ATOM 34488 OWS SOL W498b -76.869 56.154 32.354 1.00 0.00 O  
  
Ignored bad PDB record found on line 117267  
ATOM 3448a HWS SOL W498b -76.928 55.498 33.048 1.00 0.00 H  
  
5706 messages similar to the above omitted  
Duplicate atom serial number found: 37120  
Duplicate atom serial number found: 37122  
Duplicate atom serial number found: 37124  
Duplicate atom serial number found: 37126  
Duplicate atom serial number found: 37128  
Ignored bad PDB record found on line 122979  
ATOM 3712a HWS SOL W5102 -65.103 69.936 -15.747 1.00 0.00 H  
  
Ignored bad PDB record found on line 122980  
ATOM 3712c HWS SOL W5102 -64.204 69.450 -16.865 1.00 0.00 H  
  
Ignored bad PDB record found on line 122981  
ATOM 3712e OWS SOL W5103 -83.214 51.260 10.528 1.00 0.00 O  
  
Duplicate atom serial number found: 37130  
Duplicate atom serial number found: 37132  
Duplicate atom serial number found: 37134  
Duplicate atom serial number found: 37136  
Duplicate atom serial number found: 37138  
Ignored bad PDB record found on line 122987  
ATOM 3713a OWS SOL W5105 -59.280 89.097 17.323 1.00 0.00 O  
  
Ignored bad PDB record found on line 122988  
ATOM 3713c HWS SOL W5105 -58.467 89.125 16.818 1.00 0.00 H  
  
Ignored bad PDB record found on line 122989  
ATOM 3713e HWS SOL W5105 -59.454 88.164 17.447 1.00 0.00 H  
  
Duplicate atom serial number found: 37140  
Duplicate atom serial number found: 37142  
Duplicate atom serial number found: 37144  
Duplicate atom serial number found: 37146  
Duplicate atom serial number found: 37148  
Ignored bad PDB record found on line 122995  
ATOM 3714a HWS SOL W5107 -69.380 88.492 -2.954 1.00 0.00 H  
  
Ignored bad PDB record found on line 122996  
ATOM 3714c OWS SOL W5108 -72.381 -89.377 -4.346 1.00 0.00 O  
  
Ignored bad PDB record found on line 122997  
ATOM 3714e HWS SOL W5108 -73.273 -89.115 -4.121 1.00 0.00 H  
  
Duplicate atom serial number found: 37150  
Duplicate atom serial number found: 37152  
Duplicate atom serial number found: 37154  
Duplicate atom serial number found: 37156  
Ignored bad PDB record found on line 123002  
ATOM 37158 OWS SOL W510a 88.010 -85.841 3.052 1.00 0.00 O  
  
Ignored bad PDB record found on line 123003  
ATOM 3715a HWS SOL W510a 88.209 -85.326 2.270 1.00 0.00 H  
  
Ignored bad PDB record found on line 123004  
ATOM 3715c HWS SOL W510a 88.397 -86.699 2.879 1.00 0.00 H  
  
Ignored bad PDB record found on line 123005  
ATOM 3715e OWS SOL W510b -89.053 -76.922 2.928 1.00 0.00 O  
  
Ignored bad PDB record found on line 123006  
ATOM 37160 HWS SOL W510b -88.485 -77.148 2.191 1.00 0.00 H  
  
10 messages similar to the above omitted  
Duplicate atom serial number found: 37176  
Duplicate atom serial number found: 37178  
Ignored bad PDB record found on line 123019  
ATOM 3717a HWS SOL W5110 86.881 72.308 10.046 1.00 0.00 H  
  
Ignored bad PDB record found on line 123020  
ATOM 3717c OWS SOL W5111 -65.581 -86.134 21.897 1.00 0.00 O  
  
Ignored bad PDB record found on line 123021  
ATOM 3717e HWS SOL W5111 -65.580 -85.373 21.317 1.00 0.00 H  
  
Duplicate atom serial number found: 37180  
Duplicate atom serial number found: 37182  
Duplicate atom serial number found: 37184  
Duplicate atom serial number found: 37186  
Duplicate atom serial number found: 37188  
Ignored bad PDB record found on line 123027  
ATOM 3718a HWS SOL W5113 89.010 81.849 2.056 1.00 0.00 H  
  
Ignored bad PDB record found on line 123028  
ATOM 3718c HWS SOL W5113 89.743 83.104 1.634 1.00 0.00 H  
  
Ignored bad PDB record found on line 123029  
ATOM 3718e OWS SOL W5114 -86.786 77.080 5.268 1.00 0.00 O  
  
Duplicate atom serial number found: 37190  
Duplicate atom serial number found: 37192  
Duplicate atom serial number found: 37194  
Duplicate atom serial number found: 37196  
Duplicate atom serial number found: 37198  
Ignored bad PDB record found on line 123035  
ATOM 3719a OWS SOL W5116 88.868 66.492 4.052 1.00 0.00 O  
  
Ignored bad PDB record found on line 123036  
ATOM 3719c HWS SOL W5116 88.565 67.399 4.075 1.00 0.00 H  
  
Ignored bad PDB record found on line 123037  
ATOM 3719e HWS SOL W5116 88.962 66.246 4.973 1.00 0.00 H  
  
Ignored bad PDB record found on line 123038  
ATOM 371a0 OWS SOL W5117 -88.685 81.229 -0.928 1.00 0.00 O  
  
Ignored bad PDB record found on line 123039  
ATOM 371a2 HWS SOL W5117 -88.674 80.688 -0.139 1.00 0.00 H  
  
46 messages similar to the above omitted  
Duplicate atom serial number found: 37200  
Duplicate atom serial number found: 37202  
Duplicate atom serial number found: 37204  
Duplicate atom serial number found: 37206  
Duplicate atom serial number found: 37208  
Ignored bad PDB record found on line 123091  
ATOM 3720a HWS SOL W5128 -76.452 77.280 8.235 1.00 0.00 H  
  
Ignored bad PDB record found on line 123092  
ATOM 3720c OWS SOL W5129 -79.048 -90.342 -27.043 1.00 0.00 O  
  
Ignored bad PDB record found on line 123093  
ATOM 3720e HWS SOL W5129 -78.575 -89.582 -26.702 1.00 0.00 H  
  
Duplicate atom serial number found: 37210  
Ignored bad PDB record found on line 123095  
ATOM 37212 OWS SOL W512a 83.973 -85.689 -7.623 1.00 0.00 O  
  
Ignored bad PDB record found on line 123096  
ATOM 37214 HWS SOL W512a 83.027 -85.834 -7.620 1.00 0.00 H  
  
Ignored bad PDB record found on line 123097  
ATOM 37216 HWS SOL W512a 84.349 -86.555 -7.781 1.00 0.00 H  
  
Ignored bad PDB record found on line 123098  
ATOM 37218 OWS SOL W512b -80.547 82.661 -10.088 1.00 0.00 O  
  
Ignored bad PDB record found on line 123099  
ATOM 3721a HWS SOL W512b -80.148 81.887 -9.692 1.00 0.00 H  
  
13 messages similar to the above omitted  
Duplicate atom serial number found: 37236  
Duplicate atom serial number found: 37238  
Ignored bad PDB record found on line 123115  
ATOM 3723a HWS SOL W5130 -85.564 70.260 5.562 1.00 0.00 H  
  
Ignored bad PDB record found on line 123116  
ATOM 3723c OWS SOL W5131 -81.034 83.067 -27.510 1.00 0.00 O  
  
Ignored bad PDB record found on line 123117  
ATOM 3723e HWS SOL W5131 -80.389 83.195 -28.205 1.00 0.00 H  
  
Duplicate atom serial number found: 37240  
Duplicate atom serial number found: 37242  
Duplicate atom serial number found: 37244  
Duplicate atom serial number found: 37246  
Duplicate atom serial number found: 37248  
Ignored bad PDB record found on line 123123  
ATOM 3724a HWS SOL W5133 83.097 -85.479 2.635 1.00 0.00 H  
  
Ignored bad PDB record found on line 123124  
ATOM 3724c HWS SOL W5133 81.697 -85.497 2.058 1.00 0.00 H  
  
Ignored bad PDB record found on line 123125  
ATOM 3724e OWS SOL W5134 -81.022 74.995 12.662 1.00 0.00 O  
  
Duplicate atom serial number found: 37250  
Duplicate atom serial number found: 37252  
Duplicate atom serial number found: 37254  
Duplicate atom serial number found: 37256  
Duplicate atom serial number found: 37258  
Ignored bad PDB record found on line 123131  
ATOM 3725a OWS SOL W5136 -87.003 76.467 2.208 1.00 0.00 O  
  
Ignored bad PDB record found on line 123132  
ATOM 3725c HWS SOL W5136 -87.490 76.774 1.443 1.00 0.00 H  
  
Ignored bad PDB record found on line 123133  
ATOM 3725e HWS SOL W5136 -87.626 75.918 2.685 1.00 0.00 H  
  
Duplicate atom serial number found: 37260  
Duplicate atom serial number found: 37262  
Duplicate atom serial number found: 37264  
Duplicate atom serial number found: 37266  
Duplicate atom serial number found: 37268  
Ignored bad PDB record found on line 123139  
ATOM 3726a HWS SOL W5138 -69.998 84.252 2.680 1.00 0.00 H  
  
Ignored bad PDB record found on line 123140  
ATOM 3726c OWS SOL W5139 -77.150 -71.709 13.015 1.00 0.00 O  
  
Ignored bad PDB record found on line 123141  
ATOM 3726e HWS SOL W5139 -77.413 -72.616 12.865 1.00 0.00 H  
  
Duplicate atom serial number found: 37270  
Ignored bad PDB record found on line 123143  
ATOM 37272 OWS SOL W513a -83.194 77.784 -16.907 1.00 0.00 O  
  
Ignored bad PDB record found on line 123144  
ATOM 37274 HWS SOL W513a -82.450 77.502 -16.374 1.00 0.00 H  
  
Ignored bad PDB record found on line 123145  
ATOM 37276 HWS SOL W513a -83.135 78.739 -16.915 1.00 0.00 H  
  
Ignored bad PDB record found on line 123146  
ATOM 37278 OWS SOL W513b 89.701 80.521 2.902 1.00 0.00 O  
  
Ignored bad PDB record found on line 123147  
ATOM 3727a HWS SOL W513b 90.556 80.399 2.491 1.00 0.00 H  
  
13 messages similar to the above omitted  
Duplicate atom serial number found: 37296  
Duplicate atom serial number found: 37298  
Ignored bad PDB record found on line 123163  
ATOM 3729a HWS SOL W5140 -84.204 87.049 -12.235 1.00 0.00 H  
  
Ignored bad PDB record found on line 123164  
ATOM 3729c OWS SOL W5141 -50.985 87.312 3.146 1.00 0.00 O  
  
Ignored bad PDB record found on line 123165  
ATOM 3729e HWS SOL W5141 -51.795 87.561 3.591 1.00 0.00 H  
  
Ignored bad PDB record found on line 123166  
ATOM 372a0 HWS SOL W5141 -51.263 87.062 2.265 1.00 0.00 H  
  
Ignored bad PDB record found on line 123167  
ATOM 372a2 OWS SOL W5142 -68.002 84.455 11.140 1.00 0.00 O  
  
46 messages similar to the above omitted  
Duplicate atom serial number found: 37300  
Duplicate atom serial number found: 37302  
Duplicate atom serial number found: 37304  
Duplicate atom serial number found: 37306  
Duplicate atom serial number found: 37308  
Ignored bad PDB record found on line 123219  
ATOM 3730a HWS SOL W5153 -68.247 -83.723 32.303 1.00 0.00 H  
  
Ignored bad PDB record found on line 123220  
ATOM 3730c HWS SOL W5153 -69.636 -83.824 31.709 1.00 0.00 H  
  
Ignored bad PDB record found on line 123221  
ATOM 3730e OWS SOL W5154 84.234 85.593 58.022 1.00 0.00 O  
  
Duplicate atom serial number found: 37310  
Duplicate atom serial number found: 37312  
Duplicate atom serial number found: 37314  
Duplicate atom serial number found: 37316  
Duplicate atom serial number found: 37318  
Ignored bad PDB record found on line 123227  
ATOM 3731a OWS SOL W5156 -84.317 79.660 38.403 1.00 0.00 O  
  
Ignored bad PDB record found on line 123228  
ATOM 3731c HWS SOL W5156 -84.840 80.213 37.823 1.00 0.00 H  
  
Ignored bad PDB record found on line 123229  
ATOM 3731e HWS SOL W5156 -83.496 79.526 37.930 1.00 0.00 H  
  
Duplicate atom serial number found: 37320  
Duplicate atom serial number found: 37322  
Duplicate atom serial number found: 37324  
Duplicate atom serial number found: 37326  
Duplicate atom serial number found: 37328  
Ignored bad PDB record found on line 123235  
ATOM 3732a HWS SOL W5158 -68.552 80.362 37.322 1.00 0.00 H  
  
Ignored bad PDB record found on line 123236  
ATOM 3732c OWS SOL W5159 -71.123 55.847 0.900 1.00 0.00 O  
  
Ignored bad PDB record found on line 123237  
ATOM 3732e HWS SOL W5159 -72.026 55.561 0.761 1.00 0.00 H  
  
Duplicate atom serial number found: 37330  
Ignored bad PDB record found on line 123239  
ATOM 37332 OWS SOL W515a -89.347 85.253 31.972 1.00 0.00 O  
  
Ignored bad PDB record found on line 123240  
ATOM 37334 HWS SOL W515a -88.887 84.645 31.394 1.00 0.00 H  
  
Ignored bad PDB record found on line 123241  
ATOM 37336 HWS SOL W515a -88.873 85.200 32.802 1.00 0.00 H  
  
Ignored bad PDB record found on line 123242  
ATOM 37338 OWS SOL W515b -85.345 78.558 40.947 1.00 0.00 O  
  
Ignored bad PDB record found on line 123243  
ATOM 3733a HWS SOL W515b -85.099 79.025 40.148 1.00 0.00 H  
  
13 messages similar to the above omitted  
Duplicate atom serial number found: 37356  
Duplicate atom serial number found: 37358  
Ignored bad PDB record found on line 123259  
ATOM 3735a HWS SOL W5160 86.660 -86.212 20.958 1.00 0.00 H  
  
Ignored bad PDB record found on line 123260  
ATOM 3735c OWS SOL W5161 -85.434 72.616 29.782 1.00 0.00 O  
  
Ignored bad PDB record found on line 123261  
ATOM 3735e HWS SOL W5161 -85.632 71.965 30.455 1.00 0.00 H  
  
Duplicate atom serial number found: 37360  
Duplicate atom serial number found: 37362  
Duplicate atom serial number found: 37364  
Duplicate atom serial number found: 37366  
Duplicate atom serial number found: 37368  
Ignored bad PDB record found on line 123267  
ATOM 3736a HWS SOL W5163 81.617 67.471 27.913 1.00 0.00 H  
  
Ignored bad PDB record found on line 123268  
ATOM 3736c HWS SOL W5163 82.259 68.195 29.077 1.00 0.00 H  
  
Ignored bad PDB record found on line 123269  
ATOM 3736e OWS SOL W5164 81.074 53.846 27.384 1.00 0.00 O  
  
Duplicate atom serial number found: 37370  
Duplicate atom serial number found: 37372  
Duplicate atom serial number found: 37374  
Duplicate atom serial number found: 37376  
Duplicate atom serial number found: 37378  
Ignored bad PDB record found on line 123275  
ATOM 3737a OWS SOL W5166 -73.733 53.824 24.882 1.00 0.00 O  
  
Ignored bad PDB record found on line 123276  
ATOM 3737c HWS SOL W5166 -73.947 54.563 25.452 1.00 0.00 H  
  
Ignored bad PDB record found on line 123277  
ATOM 3737e HWS SOL W5166 -73.034 53.360 25.343 1.00 0.00 H  
  
Duplicate atom serial number found: 37380  
Duplicate atom serial number found: 37382  
Duplicate atom serial number found: 37384  
Duplicate atom serial number found: 37386  
Duplicate atom serial number found: 37388  
Ignored bad PDB record found on line 123283  
ATOM 3738a HWS SOL W5168 -84.796 -83.328 25.887 1.00 0.00 H  
  
Ignored bad PDB record found on line 123284  
ATOM 3738c OWS SOL W5169 73.399 -87.965 13.100 1.00 0.00 O  
  
Ignored bad PDB record found on line 123285  
ATOM 3738e HWS SOL W5169 73.547 -88.910 13.141 1.00 0.00 H  
  
Duplicate atom serial number found: 37390  
Ignored bad PDB record found on line 123287  
ATOM 37392 OWS SOL W516a -71.156 -74.569 29.745 1.00 0.00 O  
  
Ignored bad PDB record found on line 123288  
ATOM 37394 HWS SOL W516a -71.258 -74.732 28.808 1.00 0.00 H  
  
Ignored bad PDB record found on line 123289  
ATOM 37396 HWS SOL W516a -70.211 -74.490 29.874 1.00 0.00 H  
  
Ignored bad PDB record found on line 123290  
ATOM 37398 OWS SOL W516b -61.283 72.198 39.934 1.00 0.00 O  
  
Ignored bad PDB record found on line 123291  
ATOM 3739a HWS SOL W516b -61.360 72.045 38.993 1.00 0.00 H  
  
61 messages similar to the above omitted  
Duplicate atom serial number found: 37416  
Duplicate atom serial number found: 37418  
Ignored bad PDB record found on line 123355  
ATOM 3741a HWS SOL W5180 -84.815 83.793 32.884 1.00 0.00 H  
  
Ignored bad PDB record found on line 123356  
ATOM 3741c OWS SOL W5181 -85.591 60.143 0.541 1.00 0.00 O  
  
Ignored bad PDB record found on line 123357  
ATOM 3741e HWS SOL W5181 -86.431 59.708 0.396 1.00 0.00 H  
  
Duplicate atom serial number found: 37420  
Duplicate atom serial number found: 37422  
Duplicate atom serial number found: 37424  
Duplicate atom serial number found: 37426  
Duplicate atom serial number found: 37428  
Ignored bad PDB record found on line 123363  
ATOM 3742a HWS SOL W5183 -87.226 64.482 28.929 1.00 0.00 H  
  
Ignored bad PDB record found on line 123364  
ATOM 3742c HWS SOL W5183 -86.494 65.806 28.961 1.00 0.00 H  
  
Ignored bad PDB record found on line 123365  
ATOM 3742e OWS SOL W5184 -71.576 62.980 35.070 1.00 0.00 O  
  
Duplicate atom serial number found: 37430  
Duplicate atom serial number found: 37432  
Duplicate atom serial number found: 37434  
Duplicate atom serial number found: 37436  
Duplicate atom serial number found: 37438  
Ignored bad PDB record found on line 123371  
ATOM 3743a OWS SOL W5186 80.021 -88.178 25.243 1.00 0.00 O  
  
Ignored bad PDB record found on line 123372  
ATOM 3743c HWS SOL W5186 79.786 -87.640 24.487 1.00 0.00 H  
  
Ignored bad PDB record found on line 123373  
ATOM 3743e HWS SOL W5186 80.572 -87.609 25.780 1.00 0.00 H  
  
Duplicate atom serial number found: 37440  
Duplicate atom serial number found: 37442  
Duplicate atom serial number found: 37444  
Duplicate atom serial number found: 37446  
Duplicate atom serial number found: 37448  
Ignored bad PDB record found on line 123379  
ATOM 3744a HWS SOL W5188 -80.246 77.565 34.643 1.00 0.00 H  
  
Ignored bad PDB record found on line 123380  
ATOM 3744c OWS SOL W5189 -85.507 82.866 49.332 1.00 0.00 O  
  
Ignored bad PDB record found on line 123381  
ATOM 3744e HWS SOL W5189 -85.823 82.243 49.986 1.00 0.00 H  
  
Duplicate atom serial number found: 37450  
Ignored bad PDB record found on line 123383  
ATOM 37452 OWS SOL W518a -80.090 71.019 20.040 1.00 0.00 O  
  
Ignored bad PDB record found on line 123384  
ATOM 37454 HWS SOL W518a -79.565 70.437 20.590 1.00 0.00 H  
  
Ignored bad PDB record found on line 123385  
ATOM 37456 HWS SOL W518a -79.450 71.476 19.495 1.00 0.00 H  
  
Ignored bad PDB record found on line 123386  
ATOM 37458 OWS SOL W518b -87.355 73.737 46.132 1.00 0.00 O  
  
Ignored bad PDB record found on line 123387  
ATOM 3745a HWS SOL W518b -88.262 73.796 46.433 1.00 0.00 H  
  
13 messages similar to the above omitted  
Duplicate atom serial number found: 37476  
Duplicate atom serial number found: 37478  
Ignored bad PDB record found on line 123403  
ATOM 3747a HWS SOL W5190 -77.436 79.237 25.861 1.00 0.00 H  
  
Ignored bad PDB record found on line 123404  
ATOM 3747c OWS SOL W5191 79.000 71.063 29.890 1.00 0.00 O  
  
Ignored bad PDB record found on line 123405  
ATOM 3747e HWS SOL W5191 78.557 70.575 29.196 1.00 0.00 H  
  
Duplicate atom serial number found: 37480  
Duplicate atom serial number found: 37482  
Duplicate atom serial number found: 37484  
Duplicate atom serial number found: 37486  
Duplicate atom serial number found: 37488  
Ignored bad PDB record found on line 123411  
ATOM 3748a HWS SOL W5193 -84.184 66.340 21.400 1.00 0.00 H  
  
Ignored bad PDB record found on line 123412  
ATOM 3748c HWS SOL W5193 -83.060 66.761 22.323 1.00 0.00 H  
  
Ignored bad PDB record found on line 123413  
ATOM 3748e OWS SOL W5194 85.497 76.727 42.094 1.00 0.00 O  
  
Duplicate atom serial number found: 37490  
Duplicate atom serial number found: 37492  
Duplicate atom serial number found: 37494  
Duplicate atom serial number found: 37496  
Duplicate atom serial number found: 37498  
Ignored bad PDB record found on line 123419  
ATOM 3749a OWS SOL W5196 -76.981 83.884 46.503 1.00 0.00 O  
  
Ignored bad PDB record found on line 123420  
ATOM 3749c HWS SOL W5196 -76.131 84.084 46.895 1.00 0.00 H  
  
Ignored bad PDB record found on line 123421  
ATOM 3749e HWS SOL W5196 -77.543 84.613 46.763 1.00 0.00 H  
  
Ignored bad PDB record found on line 123422  
ATOM 374a0 OWS SOL W5197 79.013 58.947 30.794 1.00 0.00 O  
  
Ignored bad PDB record found on line 123423  
ATOM 374a2 HWS SOL W5197 79.219 59.322 31.651 1.00 0.00 H  
  
313 messages similar to the above omitted  
Duplicate atom serial number found: 37716  
Duplicate atom serial number found: 37718  
Ignored bad PDB record found on line 123739  
ATOM 3771a HWS SOL W5200 -65.060 73.275 28.078 1.00 0.00 H  
  
Ignored bad PDB record found on line 123740  
ATOM 3771c OWS SOL W5201 -79.286 59.312 32.260 1.00 0.00 O  
  
Ignored bad PDB record found on line 123741  
ATOM 3771e HWS SOL W5201 -78.627 59.151 31.584 1.00 0.00 H  
  
Duplicate atom serial number found: 37720  
Duplicate atom serial number found: 37722  
Duplicate atom serial number found: 37724  
Duplicate atom serial number found: 37726  
Duplicate atom serial number found: 37728  
Ignored bad PDB record found on line 123747  
ATOM 3772a HWS SOL W5203 88.643 -85.359 42.812 1.00 0.00 H  
  
Ignored bad PDB record found on line 123748  
ATOM 3772c HWS SOL W5203 89.148 -86.250 41.698 1.00 0.00 H  
  
Ignored bad PDB record found on line 123749  
ATOM 3772e OWS SOL W5204 -66.958 84.806 42.875 1.00 0.00 O  
  
Duplicate atom serial number found: 37730  
Duplicate atom serial number found: 37732  
Duplicate atom serial number found: 37734  
Duplicate atom serial number found: 37736  
Duplicate atom serial number found: 37738  
Ignored bad PDB record found on line 123755  
ATOM 3773a OWS SOL W5206 -88.384 71.479 39.523 1.00 0.00 O  
  
Ignored bad PDB record found on line 123756  
ATOM 3773c HWS SOL W5206 -87.444 71.526 39.699 1.00 0.00 H  
  
Ignored bad PDB record found on line 123757  
ATOM 3773e HWS SOL W5206 -88.621 70.575 39.727 1.00 0.00 H  
  
Duplicate atom serial number found: 37740  
Duplicate atom serial number found: 37742  
Duplicate atom serial number found: 37744  
Duplicate atom serial number found: 37746  
Duplicate atom serial number found: 37748  
Ignored bad PDB record found on line 123763  
ATOM 3774a HWS SOL W5208 -75.060 81.248 21.361 1.00 0.00 H  
  
Ignored bad PDB record found on line 123764  
ATOM 3774c OWS SOL W5209 86.587 75.087 38.019 1.00 0.00 O  
  
Ignored bad PDB record found on line 123765  
ATOM 3774e HWS SOL W5209 85.781 75.602 37.981 1.00 0.00 H  
  
Duplicate atom serial number found: 37750  
Ignored bad PDB record found on line 123767  
ATOM 37752 OWS SOL W520a -82.440 62.543 10.386 1.00 0.00 O  
  
Ignored bad PDB record found on line 123768  
ATOM 37754 HWS SOL W520a -81.577 62.711 10.764 1.00 0.00 H  
  
Ignored bad PDB record found on line 123769  
ATOM 37756 HWS SOL W520a -83.055 62.753 11.089 1.00 0.00 H  
  
Ignored bad PDB record found on line 123770  
ATOM 37758 OWS SOL W520b -81.277 54.334 30.993 1.00 0.00 O  
  
Ignored bad PDB record found on line 123771  
ATOM 3775a HWS SOL W520b -81.025 54.373 31.915 1.00 0.00 H  
  
10 messages similar to the above omitted  
Duplicate atom serial number found: 37770  
Duplicate atom serial number found: 37772  
Duplicate atom serial number found: 37774  
Duplicate atom serial number found: 37776  
Duplicate atom serial number found: 37778  
Ignored bad PDB record found on line 123787  
ATOM 3777a HWS SOL W5211 -83.996 60.405 32.005 1.00 0.00 H  
  
Ignored bad PDB record found on line 123788  
ATOM 3777c OWS SOL W5212 -85.384 87.243 44.543 1.00 0.00 O  
  
Ignored bad PDB record found on line 123789  
ATOM 3777e HWS SOL W5212 -85.683 87.990 45.061 1.00 0.00 H  
  
Duplicate atom serial number found: 37780  
Duplicate atom serial number found: 37782  
Duplicate atom serial number found: 37784  
Duplicate atom serial number found: 37786  
Duplicate atom serial number found: 37788  
Ignored bad PDB record found on line 123795  
ATOM 3778a HWS SOL W5214 -75.243 76.873 4.070 1.00 0.00 H  
  
Ignored bad PDB record found on line 123796  
ATOM 3778c HWS SOL W5214 -73.744 77.046 4.196 1.00 0.00 H  
  
Ignored bad PDB record found on line 123797  
ATOM 3778e OWS SOL W5215 81.989 75.654 39.845 1.00 0.00 O  
  
Duplicate atom serial number found: 37790  
Duplicate atom serial number found: 37792  
Duplicate atom serial number found: 37794  
Duplicate atom serial number found: 37796  
Duplicate atom serial number found: 37798  
Ignored bad PDB record found on line 123803  
ATOM 3779a OWS SOL W5217 -82.277 60.559 36.521 1.00 0.00 O  
  
Ignored bad PDB record found on line 123804  
ATOM 3779c HWS SOL W5217 -82.446 60.572 37.463 1.00 0.00 H  
  
Ignored bad PDB record found on line 123805  
ATOM 3779e HWS SOL W5217 -81.982 61.447 36.318 1.00 0.00 H  
  
Ignored bad PDB record found on line 123806  
ATOM 377a0 OWS SOL W5218 -89.985 75.100 53.813 1.00 0.00 O  
  
Ignored bad PDB record found on line 123807  
ATOM 377a2 HWS SOL W5218 -89.424 74.390 54.125 1.00 0.00 H  
  
46 messages similar to the above omitted  
Duplicate atom serial number found: 37800  
Duplicate atom serial number found: 37802  
Duplicate atom serial number found: 37804  
Duplicate atom serial number found: 37806  
Duplicate atom serial number found: 37808  
Ignored bad PDB record found on line 123859  
ATOM 3780a HWS SOL W5229 -79.329 85.022 37.362 1.00 0.00 H  
  
Ignored bad PDB record found on line 123860  
ATOM 3780c OWS SOL W522a -81.720 74.840 26.607 1.00 0.00 O  
  
Ignored bad PDB record found on line 123861  
ATOM 3780e HWS SOL W522a -82.674 74.824 26.525 1.00 0.00 H  
  
Ignored bad PDB record found on line 123862  
ATOM 37810 HWS SOL W522a -81.549 75.479 27.298 1.00 0.00 H  
  
Ignored bad PDB record found on line 123863  
ATOM 37812 OWS SOL W522b -71.752 89.055 3.455 1.00 0.00 O  
  
14 messages similar to the above omitted  
Duplicate atom serial number found: 37830  
Duplicate atom serial number found: 37832  
Duplicate atom serial number found: 37834  
Duplicate atom serial number found: 37836  
Duplicate atom serial number found: 37838  
Ignored bad PDB record found on line 123883  
ATOM 3783a HWS SOL W5231 -83.300 80.140 24.381 1.00 0.00 H  
  
Ignored bad PDB record found on line 123884  
ATOM 3783c OWS SOL W5232 -81.971 66.989 33.412 1.00 0.00 O  
  
Ignored bad PDB record found on line 123885  
ATOM 3783e HWS SOL W5232 -81.489 67.794 33.225 1.00 0.00 H  
  
Duplicate atom serial number found: 37840  
Duplicate atom serial number found: 37842  
Duplicate atom serial number found: 37844  
Duplicate atom serial number found: 37846  
Duplicate atom serial number found: 37848  
Ignored bad PDB record found on line 123891  
ATOM 3784a HWS SOL W5234 -56.334 -87.745 33.849 1.00 0.00 H  
  
Ignored bad PDB record found on line 123892  
ATOM 3784c HWS SOL W5234 -55.433 -88.118 35.007 1.00 0.00 H  
  
Ignored bad PDB record found on line 123893  
ATOM 3784e OWS SOL W5235 -66.653 84.255 34.393 1.00 0.00 O  
  
Duplicate atom serial number found: 37850  
Duplicate atom serial number found: 37852  
Duplicate atom serial number found: 37854  
Duplicate atom serial number found: 37856  
Duplicate atom serial number found: 37858  
Ignored bad PDB record found on line 123899  
ATOM 3785a OWS SOL W5237 -64.087 78.062 16.165 1.00 0.00 O  
  
Ignored bad PDB record found on line 123900  
ATOM 3785c HWS SOL W5237 -63.488 77.315 16.157 1.00 0.00 H  
  
Ignored bad PDB record found on line 123901  
ATOM 3785e HWS SOL W5237 -64.157 78.323 15.246 1.00 0.00 H  
  
Duplicate atom serial number found: 37860  
Duplicate atom serial number found: 37862  
Duplicate atom serial number found: 37864  
Duplicate atom serial number found: 37866  
Duplicate atom serial number found: 37868  
Ignored bad PDB record found on line 123907  
ATOM 3786a HWS SOL W5239 80.432 79.087 30.126 1.00 0.00 H  
  
Ignored bad PDB record found on line 123908  
ATOM 3786c OWS SOL W523a -74.628 76.323 51.877 1.00 0.00 O  
  
Ignored bad PDB record found on line 123909  
ATOM 3786e HWS SOL W523a -73.810 76.797 51.721 1.00 0.00 H  
  
Ignored bad PDB record found on line 123910  
ATOM 37870 HWS SOL W523a -75.160 76.928 52.395 1.00 0.00 H  
  
Ignored bad PDB record found on line 123911  
ATOM 37872 OWS SOL W523b -78.717 85.870 47.149 1.00 0.00 O  
  
14 messages similar to the above omitted  
Duplicate atom serial number found: 37890  
Duplicate atom serial number found: 37892  
Duplicate atom serial number found: 37894  
Duplicate atom serial number found: 37896  
Duplicate atom serial number found: 37898  
Ignored bad PDB record found on line 123931  
ATOM 3789a HWS SOL W5241 -75.792 86.501 35.060 1.00 0.00 H  
  
Ignored bad PDB record found on line 123932  
ATOM 3789c OWS SOL W5242 -78.238 70.484 27.439 1.00 0.00 O  
  
Ignored bad PDB record found on line 123933  
ATOM 3789e HWS SOL W5242 -77.481 70.688 27.988 1.00 0.00 H  
  
Ignored bad PDB record found on line 123934  
ATOM 378a0 HWS SOL W5242 -78.874 71.169 27.643 1.00 0.00 H  
  
Ignored bad PDB record found on line 123935  
ATOM 378a2 OWS SOL W5243 -72.541 83.116 42.750 1.00 0.00 O  
  
46 messages similar to the above omitted  
Duplicate atom serial number found: 37900  
Duplicate atom serial number found: 37902  
Duplicate atom serial number found: 37904  
Duplicate atom serial number found: 37906  
Duplicate atom serial number found: 37908  
Ignored bad PDB record found on line 123987  
ATOM 3790a HWS SOL W5254 78.304 72.931 21.988 1.00 0.00 H  
  
Ignored bad PDB record found on line 123988  
ATOM 3790c HWS SOL W5254 78.229 71.762 22.948 1.00 0.00 H  
  
Ignored bad PDB record found on line 123989  
ATOM 3790e OWS SOL W5255 -84.527 -88.791 12.921 1.00 0.00 O  
  
Duplicate atom serial number found: 37910  
Duplicate atom serial number found: 37912  
Duplicate atom serial number found: 37914  
Duplicate atom serial number found: 37916  
Duplicate atom serial number found: 37918  
Ignored bad PDB record found on line 123995  
ATOM 3791a OWS SOL W5257 80.602 56.649 33.130 1.00 0.00 O  
  
Ignored bad PDB record found on line 123996  
ATOM 3791c HWS SOL W5257 79.937 57.248 33.468 1.00 0.00 H  
  
Ignored bad PDB record found on line 123997  
ATOM 3791e HWS SOL W5257 81.386 57.190 33.031 1.00 0.00 H  
  
Duplicate atom serial number found: 37920  
Duplicate atom serial number found: 37922  
Duplicate atom serial number found: 37924  
Duplicate atom serial number found: 37926  
Duplicate atom serial number found: 37928  
Ignored bad PDB record found on line 124003  
ATOM 3792a HWS SOL W5259 -82.103 87.020 62.294 1.00 0.00 H  
  
Ignored bad PDB record found on line 124004  
ATOM 3792c OWS SOL W525a -78.097 86.994 42.677 1.00 0.00 O  
  
Ignored bad PDB record found on line 124005  
ATOM 3792e HWS SOL W525a -78.730 86.439 42.221 1.00 0.00 H  
  
Ignored bad PDB record found on line 124006  
ATOM 37930 HWS SOL W525a -77.864 87.668 42.039 1.00 0.00 H  
  
Ignored bad PDB record found on line 124007  
ATOM 37932 OWS SOL W525b -73.462 72.769 36.184 1.00 0.00 O  
  
14 messages similar to the above omitted  
Duplicate atom serial number found: 37950  
Duplicate atom serial number found: 37952  
Duplicate atom serial number found: 37954  
Duplicate atom serial number found: 37956  
Duplicate atom serial number found: 37958  
Ignored bad PDB record found on line 124027  
ATOM 3795a HWS SOL W5261 -79.231 75.102 38.145 1.00 0.00 H  
  
Ignored bad PDB record found on line 124028  
ATOM 3795c OWS SOL W5262 -85.416 86.677 29.199 1.00 0.00 O  
  
Ignored bad PDB record found on line 124029  
ATOM 3795e HWS SOL W5262 -85.675 87.299 28.519 1.00 0.00 H  
  
Duplicate atom serial number found: 37960  
Duplicate atom serial number found: 37962  
Duplicate atom serial number found: 37964  
Duplicate atom serial number found: 37966  
Duplicate atom serial number found: 37968  
Ignored bad PDB record found on line 124035  
ATOM 3796a HWS SOL W5264 -84.271 83.628 27.769 1.00 0.00 H  
  
Ignored bad PDB record found on line 124036  
ATOM 3796c HWS SOL W5264 -84.510 83.991 26.319 1.00 0.00 H  
  
Ignored bad PDB record found on line 124037  
ATOM 3796e OWS SOL W5265 -74.413 -74.313 49.111 1.00 0.00 O  
  
Duplicate atom serial number found: 37970  
Duplicate atom serial number found: 37972  
Duplicate atom serial number found: 37974  
Duplicate atom serial number found: 37976  
Duplicate atom serial number found: 37978  
Ignored bad PDB record found on line 124043  
ATOM 3797a OWS SOL W5267 79.087 70.743 -13.179 1.00 0.00 O  
  
Ignored bad PDB record found on line 124044  
ATOM 3797c HWS SOL W5267 79.943 70.906 -13.574 1.00 0.00 H  
  
Ignored bad PDB record found on line 124045  
ATOM 3797e HWS SOL W5267 78.489 70.671 -13.923 1.00 0.00 H  
  
Duplicate atom serial number found: 37980  
Duplicate atom serial number found: 37982  
Duplicate atom serial number found: 37984  
Duplicate atom serial number found: 37986  
Duplicate atom serial number found: 37988  
Ignored bad PDB record found on line 124051  
ATOM 3798a HWS SOL W5269 -89.551 85.078 42.666 1.00 0.00 H  
  
Ignored bad PDB record found on line 124052  
ATOM 3798c OWS SOL W526a -75.997 71.086 49.681 1.00 0.00 O  
  
Ignored bad PDB record found on line 124053  
ATOM 3798e HWS SOL W526a -75.516 71.670 49.096 1.00 0.00 H  
  
Ignored bad PDB record found on line 124054  
ATOM 37990 HWS SOL W526a -76.202 71.625 50.445 1.00 0.00 H  
  
Ignored bad PDB record found on line 124055  
ATOM 37992 OWS SOL W526b -81.225 89.058 9.138 1.00 0.00 O  
  
822 messages similar to the above omitted  
Duplicate atom serial number found: 38000  
Duplicate atom serial number found: 38002  
Duplicate atom serial number found: 38004  
Duplicate atom serial number found: 38006  
Duplicate atom serial number found: 38008  
Ignored bad PDB record found on line 124883  
ATOM 3800a OWS SOL W5383 -62.148 74.120 42.146 1.00 0.00 O  
  
Ignored bad PDB record found on line 124884  
ATOM 3800c HWS SOL W5383 -61.755 73.470 41.563 1.00 0.00 H  
  
Ignored bad PDB record found on line 124885  
ATOM 3800e HWS SOL W5383 -62.657 74.686 41.565 1.00 0.00 H  
  
Duplicate atom serial number found: 38010  
Duplicate atom serial number found: 38012  
Duplicate atom serial number found: 38014  
Duplicate atom serial number found: 38016  
Duplicate atom serial number found: 38018  
Ignored bad PDB record found on line 124891  
ATOM 3801a HWS SOL W5385 84.289 72.076 64.564 1.00 0.00 H  
  
Ignored bad PDB record found on line 124892  
ATOM 3801c OWS SOL W5386 -69.469 74.935 51.481 1.00 0.00 O  
  
Ignored bad PDB record found on line 124893  
ATOM 3801e HWS SOL W5386 -70.222 75.241 51.986 1.00 0.00 H  
  
Duplicate atom serial number found: 38020  
Duplicate atom serial number found: 38022  
Duplicate atom serial number found: 38024  
Duplicate atom serial number found: 38026  
Duplicate atom serial number found: 38028  
Ignored bad PDB record found on line 124899  
ATOM 3802a HWS SOL W5388 -76.697 -83.836 63.167 1.00 0.00 H  
  
Ignored bad PDB record found on line 124900  
ATOM 3802c HWS SOL W5388 -77.575 -85.011 63.542 1.00 0.00 H  
  
Ignored bad PDB record found on line 124901  
ATOM 3802e OWS SOL W5389 -82.788 -78.403 44.603 1.00 0.00 O  
  
Duplicate atom serial number found: 38030  
Duplicate atom serial number found: 38032  
Ignored bad PDB record found on line 124904  
ATOM 38034 OWS SOL W538a -82.980 51.283 43.919 1.00 0.00 O  
  
Ignored bad PDB record found on line 124905  
ATOM 38036 HWS SOL W538a -83.025 50.986 43.010 1.00 0.00 H  
  
Ignored bad PDB record found on line 124906  
ATOM 38038 HWS SOL W538a -83.662 51.951 43.988 1.00 0.00 H  
  
Ignored bad PDB record found on line 124907  
ATOM 3803a OWS SOL W538b -87.092 57.242 77.640 1.00 0.00 O  
  
Ignored bad PDB record found on line 124908  
ATOM 3803c HWS SOL W538b -87.200 57.906 76.958 1.00 0.00 H  
  
13 messages similar to the above omitted  
Duplicate atom serial number found: 38058  
Ignored bad PDB record found on line 124923  
ATOM 3805a HWS SOL W5390 -73.241 53.541 45.522 1.00 0.00 H  
  
Ignored bad PDB record found on line 124924  
ATOM 3805c HWS SOL W5390 -74.527 54.286 45.810 1.00 0.00 H  
  
Ignored bad PDB record found on line 124925  
ATOM 3805e OWS SOL W5391 -77.536 65.454 79.552 1.00 0.00 O  
  
Duplicate atom serial number found: 38060  
Duplicate atom serial number found: 38062  
Duplicate atom serial number found: 38064  
Duplicate atom serial number found: 38066  
Duplicate atom serial number found: 38068  
Ignored bad PDB record found on line 124931  
ATOM 3806a OWS SOL W5393 -77.118 67.156 62.658 1.00 0.00 O  
  
Ignored bad PDB record found on line 124932  
ATOM 3806c HWS SOL W5393 -76.555 66.672 63.262 1.00 0.00 H  
  
Ignored bad PDB record found on line 124933  
ATOM 3806e HWS SOL W5393 -76.615 67.202 61.845 1.00 0.00 H  
  
Duplicate atom serial number found: 38070  
Duplicate atom serial number found: 38072  
Duplicate atom serial number found: 38074  
Duplicate atom serial number found: 38076  
Duplicate atom serial number found: 38078  
Ignored bad PDB record found on line 124939  
ATOM 3807a HWS SOL W5395 -77.344 69.840 60.647 1.00 0.00 H  
  
Ignored bad PDB record found on line 124940  
ATOM 3807c OWS SOL W5396 -70.133 79.861 56.486 1.00 0.00 O  
  
Ignored bad PDB record found on line 124941  
ATOM 3807e HWS SOL W5396 -69.675 80.137 55.692 1.00 0.00 H  
  
Duplicate atom serial number found: 38080  
Duplicate atom serial number found: 38082  
Duplicate atom serial number found: 38084  
Duplicate atom serial number found: 38086  
Duplicate atom serial number found: 38088  
Ignored bad PDB record found on line 124947  
ATOM 3808a HWS SOL W5398 -71.504 -84.342 58.985 1.00 0.00 H  
  
Ignored bad PDB record found on line 124948  
ATOM 3808c HWS SOL W5398 -70.451 -83.646 59.821 1.00 0.00 H  
  
Ignored bad PDB record found on line 124949  
ATOM 3808e OWS SOL W5399 -87.439 82.559 47.518 1.00 0.00 O  
  
Duplicate atom serial number found: 38090  
Duplicate atom serial number found: 38092  
Ignored bad PDB record found on line 124952  
ATOM 38094 OWS SOL W539a -84.888 66.804 62.994 1.00 0.00 O  
  
Ignored bad PDB record found on line 124953  
ATOM 38096 HWS SOL W539a -85.678 66.897 62.462 1.00 0.00 H  
  
Ignored bad PDB record found on line 124954  
ATOM 38098 HWS SOL W539a -84.391 67.605 62.828 1.00 0.00 H  
  
Ignored bad PDB record found on line 124955  
ATOM 3809a OWS SOL W539b -56.133 75.769 64.987 1.00 0.00 O  
  
Ignored bad PDB record found on line 124956  
ATOM 3809c HWS SOL W539b -55.436 76.423 65.049 1.00 0.00 H  
  
305 messages similar to the above omitted  
Duplicate atom serial number found: 38300  
Duplicate atom serial number found: 38302  
Duplicate atom serial number found: 38304  
Duplicate atom serial number found: 38306  
Duplicate atom serial number found: 38308  
Ignored bad PDB record found on line 125267  
ATOM 3830a OWS SOL W5403 -73.055 75.966 61.629 1.00 0.00 O  
  
Ignored bad PDB record found on line 125268  
ATOM 3830c HWS SOL W5403 -73.555 75.154 61.545 1.00 0.00 H  
  
Ignored bad PDB record found on line 125269  
ATOM 3830e HWS SOL W5403 -72.314 75.734 62.189 1.00 0.00 H  
  
Duplicate atom serial number found: 38310  
Duplicate atom serial number found: 38312  
Duplicate atom serial number found: 38314  
Duplicate atom serial number found: 38316  
Duplicate atom serial number found: 38318  
Ignored bad PDB record found on line 125275  
ATOM 3831a HWS SOL W5405 86.969 68.649 41.556 1.00 0.00 H  
  
Ignored bad PDB record found on line 125276  
ATOM 3831c OWS SOL W5406 -45.808 69.808 54.746 1.00 0.00 O  
  
Ignored bad PDB record found on line 125277  
ATOM 3831e HWS SOL W5406 -46.512 70.441 54.608 1.00 0.00 H  
  
Duplicate atom serial number found: 38320  
Duplicate atom serial number found: 38322  
Duplicate atom serial number found: 38324  
Duplicate atom serial number found: 38326  
Duplicate atom serial number found: 38328  
Ignored bad PDB record found on line 125283  
ATOM 3832a HWS SOL W5408 -90.616 87.948 72.288 1.00 0.00 H  
  
Ignored bad PDB record found on line 125284  
ATOM 3832c HWS SOL W5408 -89.307 87.359 71.807 1.00 0.00 H  
  
Ignored bad PDB record found on line 125285  
ATOM 3832e OWS SOL W5409 -74.533 65.869 53.821 1.00 0.00 O  
  
Duplicate atom serial number found: 38330  
Duplicate atom serial number found: 38332  
Ignored bad PDB record found on line 125288  
ATOM 38334 OWS SOL W540a -78.295 76.264 63.233 1.00 0.00 O  
  
Ignored bad PDB record found on line 125289  
ATOM 38336 HWS SOL W540a -77.640 76.388 63.920 1.00 0.00 H  
  
Ignored bad PDB record found on line 125290  
ATOM 38338 HWS SOL W540a -79.132 76.428 63.666 1.00 0.00 H  
  
Ignored bad PDB record found on line 125291  
ATOM 3833a OWS SOL W540b -71.499 49.006 79.995 1.00 0.00 O  
  
Ignored bad PDB record found on line 125292  
ATOM 3833c HWS SOL W540b -70.998 48.854 80.796 1.00 0.00 H  
  
13 messages similar to the above omitted  
Duplicate atom serial number found: 38358  
Ignored bad PDB record found on line 125307  
ATOM 3835a HWS SOL W5410 -75.767 89.642 36.674 1.00 0.00 H  
  
Ignored bad PDB record found on line 125308  
ATOM 3835c HWS SOL W5410 -76.493 88.335 36.913 1.00 0.00 H  
  
Ignored bad PDB record found on line 125309  
ATOM 3835e OWS SOL W5411 70.550 75.138 34.279 1.00 0.00 O  
  
Duplicate atom serial number found: 38360  
Duplicate atom serial number found: 38362  
Duplicate atom serial number found: 38364  
Duplicate atom serial number found: 38366  
Duplicate atom serial number found: 38368  
Ignored bad PDB record found on line 125315  
ATOM 3836a OWS SOL W5413 -72.604 80.048 59.223 1.00 0.00 O  
  
Ignored bad PDB record found on line 125316  
ATOM 3836c HWS SOL W5413 -73.136 80.724 59.642 1.00 0.00 H  
  
Ignored bad PDB record found on line 125317  
ATOM 3836e HWS SOL W5413 -71.700 80.306 59.406 1.00 0.00 H  
  
Duplicate atom serial number found: 38370  
Duplicate atom serial number found: 38372  
Duplicate atom serial number found: 38374  
Duplicate atom serial number found: 38376  
Duplicate atom serial number found: 38378  
Ignored bad PDB record found on line 125323  
ATOM 3837a HWS SOL W5415 -81.196 -85.986 64.330 1.00 0.00 H  
  
Ignored bad PDB record found on line 125324  
ATOM 3837c OWS SOL W5416 -76.557 76.820 33.335 1.00 0.00 O  
  
Ignored bad PDB record found on line 125325  
ATOM 3837e HWS SOL W5416 -77.384 76.377 33.523 1.00 0.00 H  
  
Duplicate atom serial number found: 38380  
Duplicate atom serial number found: 38382  
Duplicate atom serial number found: 38384  
Duplicate atom serial number found: 38386  
Duplicate atom serial number found: 38388  
Ignored bad PDB record found on line 125331  
ATOM 3838a HWS SOL W5418 -60.117 64.883 66.331 1.00 0.00 H  
  
Ignored bad PDB record found on line 125332  
ATOM 3838c HWS SOL W5418 -58.946 64.528 65.439 1.00 0.00 H  
  
Ignored bad PDB record found on line 125333  
ATOM 3838e OWS SOL W5419 -64.780 61.644 66.862 1.00 0.00 O  
  
Duplicate atom serial number found: 38390  
Duplicate atom serial number found: 38392  
Ignored bad PDB record found on line 125336  
ATOM 38394 OWS SOL W541a 80.171 60.794 35.072 1.00 0.00 O  
  
Ignored bad PDB record found on line 125337  
ATOM 38396 HWS SOL W541a 79.923 61.571 35.574 1.00 0.00 H  
  
Ignored bad PDB record found on line 125338  
ATOM 38398 HWS SOL W541a 79.941 60.058 35.640 1.00 0.00 H  
  
Ignored bad PDB record found on line 125339  
ATOM 3839a OWS SOL W541b -67.959 80.449 41.312 1.00 0.00 O  
  
Ignored bad PDB record found on line 125340  
ATOM 3839c HWS SOL W541b -68.143 80.820 40.449 1.00 0.00 H  
  
61 messages similar to the above omitted  
Duplicate atom serial number found: 38418  
Ignored bad PDB record found on line 125403  
ATOM 3841a HWS SOL W5430 -58.145 66.449 41.986 1.00 0.00 H  
  
Ignored bad PDB record found on line 125404  
ATOM 3841c HWS SOL W5430 -59.244 67.490 41.960 1.00 0.00 H  
  
Ignored bad PDB record found on line 125405  
ATOM 3841e OWS SOL W5431 -69.111 85.083 41.161 1.00 0.00 O  
  
Duplicate atom serial number found: 38420  
Duplicate atom serial number found: 38422  
Duplicate atom serial number found: 38424  
Duplicate atom serial number found: 38426  
Duplicate atom serial number found: 38428  
Ignored bad PDB record found on line 125411  
ATOM 3842a OWS SOL W5433 -65.360 63.676 48.888 1.00 0.00 O  
  
Ignored bad PDB record found on line 125412  
ATOM 3842c HWS SOL W5433 -64.735 63.080 48.474 1.00 0.00 H  
  
Ignored bad PDB record found on line 125413  
ATOM 3842e HWS SOL W5433 -65.127 63.660 49.817 1.00 0.00 H  
  
Duplicate atom serial number found: 38430  
Duplicate atom serial number found: 38432  
Duplicate atom serial number found: 38434  
Duplicate atom serial number found: 38436  
Duplicate atom serial number found: 38438  
Ignored bad PDB record found on line 125419  
ATOM 3843a HWS SOL W5435 -89.904 78.465 59.267 1.00 0.00 H  
  
Ignored bad PDB record found on line 125420  
ATOM 3843c OWS SOL W5436 -76.399 77.778 69.788 1.00 0.00 O  
  
Ignored bad PDB record found on line 125421  
ATOM 3843e HWS SOL W5436 -76.567 78.615 70.220 1.00 0.00 H  
  
Duplicate atom serial number found: 38440  
Duplicate atom serial number found: 38442  
Duplicate atom serial number found: 38444  
Duplicate atom serial number found: 38446  
Duplicate atom serial number found: 38448  
Ignored bad PDB record found on line 125427  
ATOM 3844a HWS SOL W5438 -61.696 66.509 65.125 1.00 0.00 H  
  
Ignored bad PDB record found on line 125428  
ATOM 3844c HWS SOL W5438 -61.320 65.199 64.467 1.00 0.00 H  
  
Ignored bad PDB record found on line 125429  
ATOM 3844e OWS SOL W5439 -66.419 77.638 -73.417 1.00 0.00 O  
  
Duplicate atom serial number found: 38450  
Duplicate atom serial number found: 38452  
Ignored bad PDB record found on line 125432  
ATOM 38454 OWS SOL W543a -66.076 69.121 76.359 1.00 0.00 O  
  
Ignored bad PDB record found on line 125433  
ATOM 38456 HWS SOL W543a -65.749 69.980 76.626 1.00 0.00 H  
  
Ignored bad PDB record found on line 125434  
ATOM 38458 HWS SOL W543a -66.972 69.090 76.695 1.00 0.00 H  
  
Ignored bad PDB record found on line 125435  
ATOM 3845a OWS SOL W543b -82.335 71.727 -72.283 1.00 0.00 O  
  
Ignored bad PDB record found on line 125436  
ATOM 3845c HWS SOL W543b -82.471 71.866 -73.220 1.00 0.00 H  
  
13 messages similar to the above omitted  
Duplicate atom serial number found: 38478  
Ignored bad PDB record found on line 125451  
ATOM 3847a HWS SOL W5440 -88.722 59.111 79.638 1.00 0.00 H  
  
Ignored bad PDB record found on line 125452  
ATOM 3847c HWS SOL W5440 -87.275 59.549 79.711 1.00 0.00 H  
  
Ignored bad PDB record found on line 125453  
ATOM 3847e OWS SOL W5441 -78.424 73.556 67.803 1.00 0.00 O  
  
Duplicate atom serial number found: 38480  
Duplicate atom serial number found: 38482  
Duplicate atom serial number found: 38484  
Duplicate atom serial number found: 38486  
Duplicate atom serial number found: 38488  
Ignored bad PDB record found on line 125459  
ATOM 3848a OWS SOL W5443 -68.402 89.367 78.940 1.00 0.00 O  
  
Ignored bad PDB record found on line 125460  
ATOM 3848c HWS SOL W5443 -68.623 89.216 78.021 1.00 0.00 H  
  
Ignored bad PDB record found on line 125461  
ATOM 3848e HWS SOL W5443 -69.010 88.812 79.428 1.00 0.00 H  
  
Duplicate atom serial number found: 38490  
Duplicate atom serial number found: 38492  
Duplicate atom serial number found: 38494  
Duplicate atom serial number found: 38496  
Duplicate atom serial number found: 38498  
Ignored bad PDB record found on line 125467  
ATOM 3849a HWS SOL W5445 -87.529 74.545 -85.192 1.00 0.00 H  
  
Ignored bad PDB record found on line 125468  
ATOM 3849c OWS SOL W5446 86.582 79.240 77.566 1.00 0.00 O  
  
Ignored bad PDB record found on line 125469  
ATOM 3849e HWS SOL W5446 87.030 78.415 77.381 1.00 0.00 H  
  
Ignored bad PDB record found on line 125470  
ATOM 384a0 HWS SOL W5446 85.651 79.031 77.488 1.00 0.00 H  
  
Ignored bad PDB record found on line 125471  
ATOM 384a2 OWS SOL W5447 -81.420 61.917 81.131 1.00 0.00 O  
  
46 messages similar to the above omitted  
Duplicate atom serial number found: 38500  
Duplicate atom serial number found: 38502  
Duplicate atom serial number found: 38504  
Duplicate atom serial number found: 38506  
Duplicate atom serial number found: 38508  
Ignored bad PDB record found on line 125523  
ATOM 3850a HWS SOL W5458 -88.761 85.842 79.085 1.00 0.00 H  
  
Ignored bad PDB record found on line 125524  
ATOM 3850c HWS SOL W5458 -90.149 86.437 78.972 1.00 0.00 H  
  
Ignored bad PDB record found on line 125525  
ATOM 3850e OWS SOL W5459 -77.201 77.260 61.035 1.00 0.00 O  
  
Duplicate atom serial number found: 38510  
Duplicate atom serial number found: 38512  
Ignored bad PDB record found on line 125528  
ATOM 38514 OWS SOL W545a 60.445 81.331 76.088 1.00 0.00 O  
  
Ignored bad PDB record found on line 125529  
ATOM 38516 HWS SOL W545a 60.200 81.551 75.189 1.00 0.00 H  
  
Ignored bad PDB record found on line 125530  
ATOM 38518 HWS SOL W545a 59.640 81.453 76.592 1.00 0.00 H  
  
Ignored bad PDB record found on line 125531  
ATOM 3851a OWS SOL W545b -73.784 -52.892 85.567 1.00 0.00 O  
  
Ignored bad PDB record found on line 125532  
ATOM 3851c HWS SOL W545b -73.256 -53.679 85.434 1.00 0.00 H  
  
13 messages similar to the above omitted  
Duplicate atom serial number found: 38538  
Ignored bad PDB record found on line 125547  
ATOM 3853a HWS SOL W5460 -74.886 73.565 67.281 1.00 0.00 H  
  
Ignored bad PDB record found on line 125548  
ATOM 3853c HWS SOL W5460 -75.974 74.565 67.608 1.00 0.00 H  
  
Ignored bad PDB record found on line 125549  
ATOM 3853e OWS SOL W5461 87.208 86.603 85.249 1.00 0.00 O  
  
Duplicate atom serial number found: 38540  
Duplicate atom serial number found: 38542  
Duplicate atom serial number found: 38544  
Duplicate atom serial number found: 38546  
Duplicate atom serial number found: 38548  
Ignored bad PDB record found on line 125555  
ATOM 3854a OWS SOL W5463 -60.079 53.704 75.127 1.00 0.00 O  
  
Ignored bad PDB record found on line 125556  
ATOM 3854c HWS SOL W5463 -61.032 53.708 75.034 1.00 0.00 H  
  
Ignored bad PDB record found on line 125557  
ATOM 3854e HWS SOL W5463 -59.755 54.027 74.286 1.00 0.00 H  
  
Duplicate atom serial number found: 38550  
Duplicate atom serial number found: 38552  
Duplicate atom serial number found: 38554  
Duplicate atom serial number found: 38556  
Duplicate atom serial number found: 38558  
Ignored bad PDB record found on line 125563  
ATOM 3855a HWS SOL W5465 -71.783 64.428 -88.576 1.00 0.00 H  
  
Ignored bad PDB record found on line 125564  
ATOM 3855c OWS SOL W5466 -80.750 69.296 82.893 1.00 0.00 O  
  
Ignored bad PDB record found on line 125565  
ATOM 3855e HWS SOL W5466 -81.145 69.032 82.062 1.00 0.00 H  
  
Duplicate atom serial number found: 38560  
Duplicate atom serial number found: 38562  
Duplicate atom serial number found: 38564  
Duplicate atom serial number found: 38566  
Duplicate atom serial number found: 38568  
Ignored bad PDB record found on line 125571  
ATOM 3856a HWS SOL W5468 86.485 78.245 66.552 1.00 0.00 H  
  
Ignored bad PDB record found on line 125572  
ATOM 3856c HWS SOL W5468 87.844 78.499 65.935 1.00 0.00 H  
  
Ignored bad PDB record found on line 125573  
ATOM 3856e OWS SOL W5469 -82.225 80.594 85.008 1.00 0.00 O  
  
Duplicate atom serial number found: 38570  
Duplicate atom serial number found: 38572  
Ignored bad PDB record found on line 125576  
ATOM 38574 OWS SOL W546a -69.343 86.666 80.277 1.00 0.00 O  
  
Ignored bad PDB record found on line 125577  
ATOM 38576 HWS SOL W546a -69.960 86.218 80.857 1.00 0.00 H  
  
Ignored bad PDB record found on line 125578  
ATOM 38578 HWS SOL W546a -69.194 86.047 79.562 1.00 0.00 H  
  
Ignored bad PDB record found on line 125579  
ATOM 3857a OWS SOL W546b -71.354 -84.231 83.708 1.00 0.00 O  
  
Ignored bad PDB record found on line 125580  
ATOM 3857c HWS SOL W546b -71.783 -84.106 82.861 1.00 0.00 H  
  
13 messages similar to the above omitted  
Duplicate atom serial number found: 38598  
Ignored bad PDB record found on line 125595  
ATOM 3859a HWS SOL W5470 -84.438 61.608 81.051 1.00 0.00 H  
  
Ignored bad PDB record found on line 125596  
ATOM 3859c HWS SOL W5470 -84.499 61.028 82.448 1.00 0.00 H  
  
Ignored bad PDB record found on line 125597  
ATOM 3859e OWS SOL W5471 81.294 74.259 -78.275 1.00 0.00 O  
  
Ignored bad PDB record found on line 125598  
ATOM 385a0 HWS SOL W5471 80.535 73.682 -78.189 1.00 0.00 H  
  
Ignored bad PDB record found on line 125599  
ATOM 385a2 HWS SOL W5471 80.931 75.088 -78.586 1.00 0.00 H  
  
46 messages similar to the above omitted  
Duplicate atom serial number found: 38600  
Duplicate atom serial number found: 38602  
Duplicate atom serial number found: 38604  
Duplicate atom serial number found: 38606  
Duplicate atom serial number found: 38608  
Ignored bad PDB record found on line 125651  
ATOM 3860a OWS SOL W5483 -58.834 78.962 40.549 1.00 0.00 O  
  
Ignored bad PDB record found on line 125652  
ATOM 3860c HWS SOL W5483 -58.710 78.557 39.691 1.00 0.00 H  
  
Ignored bad PDB record found on line 125653  
ATOM 3860e HWS SOL W5483 -59.496 78.419 40.978 1.00 0.00 H  
  
Duplicate atom serial number found: 38610  
Duplicate atom serial number found: 38612  
Duplicate atom serial number found: 38614  
Duplicate atom serial number found: 38616  
Duplicate atom serial number found: 38618  
Ignored bad PDB record found on line 125659  
ATOM 3861a HWS SOL W5485 -85.768 79.775 56.990 1.00 0.00 H  
  
Ignored bad PDB record found on line 125660  
ATOM 3861c OWS SOL W5486 -79.759 87.008 79.569 1.00 0.00 O  
  
Ignored bad PDB record found on line 125661  
ATOM 3861e HWS SOL W5486 -79.512 87.556 80.314 1.00 0.00 H  
  
Duplicate atom serial number found: 38620  
Duplicate atom serial number found: 38622  
Duplicate atom serial number found: 38624  
Duplicate atom serial number found: 38626  
Duplicate atom serial number found: 38628  
Ignored bad PDB record found on line 125667  
ATOM 3862a HWS SOL W5488 -69.766 73.548 65.952 1.00 0.00 H  
  
Ignored bad PDB record found on line 125668  
ATOM 3862c HWS SOL W5488 -71.045 74.291 65.628 1.00 0.00 H  
  
Ignored bad PDB record found on line 125669  
ATOM 3862e OWS SOL W5489 -65.056 64.393 75.063 1.00 0.00 O  
  
Duplicate atom serial number found: 38630  
Duplicate atom serial number found: 38632  
Ignored bad PDB record found on line 125672  
ATOM 38634 OWS SOL W548a -71.981 87.959 76.858 1.00 0.00 O  
  
Ignored bad PDB record found on line 125673  
ATOM 38636 HWS SOL W548a -71.105 87.585 76.962 1.00 0.00 H  
  
Ignored bad PDB record found on line 125674  
ATOM 38638 HWS SOL W548a -72.168 88.370 77.702 1.00 0.00 H  
  
Ignored bad PDB record found on line 125675  
ATOM 3863a OWS SOL W548b -67.540 70.202 66.958 1.00 0.00 O  
  
Ignored bad PDB record found on line 125676  
ATOM 3863c HWS SOL W548b -67.084 70.178 66.116 1.00 0.00 H  
  
13 messages similar to the above omitted  
Duplicate atom serial number found: 38658  
Ignored bad PDB record found on line 125691  
ATOM 3865a HWS SOL W5490 -86.054 73.727 72.776 1.00 0.00 H  
  
Ignored bad PDB record found on line 125692  
ATOM 3865c HWS SOL W5490 -87.562 73.841 72.696 1.00 0.00 H  
  
Ignored bad PDB record found on line 125693  
ATOM 3865e OWS SOL W5491 -72.512 79.177 87.710 1.00 0.00 O  
  
Duplicate atom serial number found: 38660  
Duplicate atom serial number found: 38662  
Duplicate atom serial number found: 38664  
Duplicate atom serial number found: 38666  
Duplicate atom serial number found: 38668  
Ignored bad PDB record found on line 125699  
ATOM 3866a OWS SOL W5493 -75.163 85.357 68.307 1.00 0.00 O  
  
Ignored bad PDB record found on line 125700  
ATOM 3866c HWS SOL W5493 -75.817 84.659 68.326 1.00 0.00 H  
  
Ignored bad PDB record found on line 125701  
ATOM 3866e HWS SOL W5493 -74.548 85.091 67.623 1.00 0.00 H  
  
Duplicate atom serial number found: 38670  
Duplicate atom serial number found: 38672  
Duplicate atom serial number found: 38674  
Duplicate atom serial number found: 38676  
Duplicate atom serial number found: 38678  
Ignored bad PDB record found on line 125707  
ATOM 3867a HWS SOL W5495 -86.519 84.317 90.314 1.00 0.00 H  
  
Ignored bad PDB record found on line 125708  
ATOM 3867c OWS SOL W5496 -86.999 67.536 89.514 1.00 0.00 O  
  
Ignored bad PDB record found on line 125709  
ATOM 3867e HWS SOL W5496 -87.912 67.398 89.769 1.00 0.00 H  
  
Duplicate atom serial number found: 38680  
Duplicate atom serial number found: 38682  
Duplicate atom serial number found: 38684  
Duplicate atom serial number found: 38686  
Duplicate atom serial number found: 38688  
Ignored bad PDB record found on line 125715  
ATOM 3868a HWS SOL W5498 -82.033 65.883 87.755 1.00 0.00 H  
  
Ignored bad PDB record found on line 125716  
ATOM 3868c HWS SOL W5498 -81.221 66.347 88.945 1.00 0.00 H  
  
Ignored bad PDB record found on line 125717  
ATOM 3868e OWS SOL W5499 75.792 89.129 78.347 1.00 0.00 O  
  
Duplicate atom serial number found: 38690  
Duplicate atom serial number found: 38692  
Ignored bad PDB record found on line 125720  
ATOM 38694 OWS SOL W549a -55.308 -87.761 87.776 1.00 0.00 O  
  
Ignored bad PDB record found on line 125721  
ATOM 38696 HWS SOL W549a -55.464 -87.343 86.929 1.00 0.00 H  
  
Ignored bad PDB record found on line 125722  
ATOM 38698 HWS SOL W549a -56.067 -87.519 88.307 1.00 0.00 H  
  
Ignored bad PDB record found on line 125723  
ATOM 3869a OWS SOL W549b -78.457 -89.913 79.338 1.00 0.00 O  
  
Ignored bad PDB record found on line 125724  
ATOM 3869c HWS SOL W549b -77.974 -89.245 79.824 1.00 0.00 H  
  
305 messages similar to the above omitted  
Duplicate atom serial number found: 38900  
Duplicate atom serial number found: 38902  
Duplicate atom serial number found: 38904  
Duplicate atom serial number found: 38906  
Duplicate atom serial number found: 38908  
Ignored bad PDB record found on line 126035  
ATOM 3890a OWS SOL W5503 -74.624 87.209 -83.055 1.00 0.00 O  
  
Ignored bad PDB record found on line 126036  
ATOM 3890c HWS SOL W5503 -73.982 86.719 -83.568 1.00 0.00 H  
  
Ignored bad PDB record found on line 126037  
ATOM 3890e HWS SOL W5503 -75.208 87.594 -83.707 1.00 0.00 H  
  
Duplicate atom serial number found: 38910  
Duplicate atom serial number found: 38912  
Duplicate atom serial number found: 38914  
Duplicate atom serial number found: 38916  
Duplicate atom serial number found: 38918  
Ignored bad PDB record found on line 126043  
ATOM 3891a HWS SOL W5505 -89.205 70.245 77.530 1.00 0.00 H  
  
Ignored bad PDB record found on line 126044  
ATOM 3891c OWS SOL W5506 -78.541 -83.149 -87.636 1.00 0.00 O  
  
Ignored bad PDB record found on line 126045  
ATOM 3891e HWS SOL W5506 -78.087 -83.745 -88.232 1.00 0.00 H  
  
Duplicate atom serial number found: 38920  
Duplicate atom serial number found: 38922  
Duplicate atom serial number found: 38924  
Duplicate atom serial number found: 38926  
Duplicate atom serial number found: 38928  
Ignored bad PDB record found on line 126051  
ATOM 3892a HWS SOL W5508 -71.992 70.681 68.206 1.00 0.00 H  
  
Ignored bad PDB record found on line 126052  
ATOM 3892c HWS SOL W5508 -71.950 71.585 69.420 1.00 0.00 H  
  
Ignored bad PDB record found on line 126053  
ATOM 3892e OWS SOL W5509 -71.754 64.680 66.100 1.00 0.00 O  
  
Duplicate atom serial number found: 38930  
Duplicate atom serial number found: 38932  
Ignored bad PDB record found on line 126056  
ATOM 38934 OWS SOL W550a 79.555 82.045 83.080 1.00 0.00 O  
  
Ignored bad PDB record found on line 126057  
ATOM 38936 HWS SOL W550a 80.274 82.645 83.276 1.00 0.00 H  
  
Ignored bad PDB record found on line 126058  
ATOM 38938 HWS SOL W550a 79.190 81.820 83.936 1.00 0.00 H  
  
Ignored bad PDB record found on line 126059  
ATOM 3893a OWS SOL W550b -80.881 89.885 69.635 1.00 0.00 O  
  
Ignored bad PDB record found on line 126060  
ATOM 3893c HWS SOL W550b -80.088 90.420 69.650 1.00 0.00 H  
  
10 messages similar to the above omitted  
Duplicate atom serial number found: 38952  
Duplicate atom serial number found: 38954  
Duplicate atom serial number found: 38956  
Duplicate atom serial number found: 38958  
Ignored bad PDB record found on line 126075  
ATOM 3895a HWS SOL W5511 -76.744 83.373 77.037 1.00 0.00 H  
  
Ignored bad PDB record found on line 126076  
ATOM 3895c HWS SOL W5511 -77.123 84.719 77.618 1.00 0.00 H  
  
Ignored bad PDB record found on line 126077  
ATOM 3895e OWS SOL W5512 -83.523 61.218 84.224 1.00 0.00 O  
  
Duplicate atom serial number found: 38960  
Duplicate atom serial number found: 38962  
Duplicate atom serial number found: 38964  
Duplicate atom serial number found: 38966  
Duplicate atom serial number found: 38968  
Ignored bad PDB record found on line 126083  
ATOM 3896a OWS SOL W5514 -79.512 82.600 87.566 1.00 0.00 O  
  
Ignored bad PDB record found on line 126084  
ATOM 3896c HWS SOL W5514 -78.849 83.283 87.469 1.00 0.00 H  
  
Ignored bad PDB record found on line 126085  
ATOM 3896e HWS SOL W5514 -79.924 82.541 86.704 1.00 0.00 H  
  
Duplicate atom serial number found: 38970  
Duplicate atom serial number found: 38972  
Duplicate atom serial number found: 38974  
Duplicate atom serial number found: 38976  
Duplicate atom serial number found: 38978  
Ignored bad PDB record found on line 126091  
ATOM 3897a HWS SOL W5516 -65.356 72.798 66.633 1.00 0.00 H  
  
Ignored bad PDB record found on line 126092  
ATOM 3897c OWS SOL W5517 -71.262 75.713 87.857 1.00 0.00 O  
  
Ignored bad PDB record found on line 126093  
ATOM 3897e HWS SOL W5517 -71.191 75.649 88.810 1.00 0.00 H  
  
Duplicate atom serial number found: 38980  
Duplicate atom serial number found: 38982  
Duplicate atom serial number found: 38984  
Duplicate atom serial number found: 38986  
Duplicate atom serial number found: 38988  
Ignored bad PDB record found on line 126099  
ATOM 3898a HWS SOL W5519 -70.571 77.488 62.403 1.00 0.00 H  
  
Ignored bad PDB record found on line 126100  
ATOM 3898c HWS SOL W5519 -70.078 78.395 61.296 1.00 0.00 H  
  
Ignored bad PDB record found on line 126101  
ATOM 3898e OWS SOL W551a -64.340 69.627 62.232 1.00 0.00 O  
  
Ignored bad PDB record found on line 126102  
ATOM 38990 HWS SOL W551a -64.596 69.300 63.095 1.00 0.00 H  
  
Ignored bad PDB record found on line 126103  
ATOM 38992 HWS SOL W551a -64.206 70.566 62.362 1.00 0.00 H  
  
825 messages similar to the above omitted  
Duplicate atom serial number found: 39006  
Duplicate atom serial number found: 39008  
Ignored bad PDB record found on line 126931  
ATOM 3900a HWS SOL W5630 -25.479 -62.381 -77.032 1.00 0.00 H  
  
Ignored bad PDB record found on line 126932  
ATOM 3900c OWS SOL W5631 -75.436 -67.843 -89.030 1.00 0.00 O  
  
Ignored bad PDB record found on line 126933  
ATOM 3900e HWS SOL W5631 -75.076 -68.272 -88.254 1.00 0.00 H  
  
Duplicate atom serial number found: 39010  
Duplicate atom serial number found: 39012  
Duplicate atom serial number found: 39014  
Duplicate atom serial number found: 39016  
Duplicate atom serial number found: 39018  
Ignored bad PDB record found on line 126939  
ATOM 3901a HWS SOL W5633 -46.825 -74.348 -87.377 1.00 0.00 H  
  
Ignored bad PDB record found on line 126940  
ATOM 3901c HWS SOL W5633 -47.033 -75.127 -88.658 1.00 0.00 H  
  
Ignored bad PDB record found on line 126941  
ATOM 3901e OWS SOL W5634 -63.887 -79.993 -87.642 1.00 0.00 O  
  
Duplicate atom serial number found: 39020  
Duplicate atom serial number found: 39022  
Duplicate atom serial number found: 39024  
Duplicate atom serial number found: 39026  
Duplicate atom serial number found: 39028  
Ignored bad PDB record found on line 126947  
ATOM 3902a OWS SOL W5636 -47.868 82.560 -82.481 1.00 0.00 O  
  
Ignored bad PDB record found on line 126948  
ATOM 3902c HWS SOL W5636 -48.085 82.366 -83.393 1.00 0.00 H  
  
Ignored bad PDB record found on line 126949  
ATOM 3902e HWS SOL W5636 -48.394 83.331 -82.269 1.00 0.00 H  
  
Duplicate atom serial number found: 39030  
Duplicate atom serial number found: 39032  
Duplicate atom serial number found: 39034  
Duplicate atom serial number found: 39036  
Duplicate atom serial number found: 39038  
Ignored bad PDB record found on line 126955  
ATOM 3903a HWS SOL W5638 -57.369 -80.481 88.968 1.00 0.00 H  
  
Ignored bad PDB record found on line 126956  
ATOM 3903c OWS SOL W5639 -67.717 -81.311 -79.920 1.00 0.00 O  
  
Ignored bad PDB record found on line 126957  
ATOM 3903e HWS SOL W5639 -67.896 -80.512 -79.424 1.00 0.00 H  
  
Duplicate atom serial number found: 39040  
Ignored bad PDB record found on line 126959  
ATOM 39042 OWS SOL W563a -58.506 -66.131 -81.685 1.00 0.00 O  
  
Ignored bad PDB record found on line 126960  
ATOM 39044 HWS SOL W563a -58.472 -66.788 -82.381 1.00 0.00 H  
  
Ignored bad PDB record found on line 126961  
ATOM 39046 HWS SOL W563a -59.252 -65.577 -81.914 1.00 0.00 H  
  
Ignored bad PDB record found on line 126962  
ATOM 39048 OWS SOL W563b -61.463 84.566 80.526 1.00 0.00 O  
  
Ignored bad PDB record found on line 126963  
ATOM 3904a HWS SOL W563b -60.915 84.586 79.741 1.00 0.00 H  
  
13 messages similar to the above omitted  
Duplicate atom serial number found: 39066  
Duplicate atom serial number found: 39068  
Ignored bad PDB record found on line 126979  
ATOM 3906a HWS SOL W5640 -69.846 -77.946 -82.331 1.00 0.00 H  
  
Ignored bad PDB record found on line 126980  
ATOM 3906c OWS SOL W5641 -41.193 -82.138 -66.452 1.00 0.00 O  
  
Ignored bad PDB record found on line 126981  
ATOM 3906e HWS SOL W5641 -41.413 -82.645 -65.670 1.00 0.00 H  
  
Duplicate atom serial number found: 39070  
Duplicate atom serial number found: 39072  
Duplicate atom serial number found: 39074  
Duplicate atom serial number found: 39076  
Duplicate atom serial number found: 39078  
Ignored bad PDB record found on line 126987  
ATOM 3907a HWS SOL W5643 -61.820 -87.476 87.811 1.00 0.00 H  
  
Ignored bad PDB record found on line 126988  
ATOM 3907c HWS SOL W5643 -62.142 -88.222 89.089 1.00 0.00 H  
  
Ignored bad PDB record found on line 126989  
ATOM 3907e OWS SOL W5644 -60.481 -82.237 -75.362 1.00 0.00 O  
  
Duplicate atom serial number found: 39080  
Duplicate atom serial number found: 39082  
Duplicate atom serial number found: 39084  
Duplicate atom serial number found: 39086  
Duplicate atom serial number found: 39088  
Ignored bad PDB record found on line 126995  
ATOM 3908a OWS SOL W5646 -38.090 84.559 82.806 1.00 0.00 O  
  
Ignored bad PDB record found on line 126996  
ATOM 3908c HWS SOL W5646 -38.728 85.231 83.044 1.00 0.00 H  
  
Ignored bad PDB record found on line 126997  
ATOM 3908e HWS SOL W5646 -37.351 85.047 82.442 1.00 0.00 H  
  
Duplicate atom serial number found: 39090  
Duplicate atom serial number found: 39092  
Duplicate atom serial number found: 39094  
Duplicate atom serial number found: 39096  
Duplicate atom serial number found: 39098  
Ignored bad PDB record found on line 127003  
ATOM 3909a HWS SOL W5648 -63.282 -88.450 -83.580 1.00 0.00 H  
  
Ignored bad PDB record found on line 127004  
ATOM 3909c OWS SOL W5649 -55.295 -75.615 -79.806 1.00 0.00 O  
  
Ignored bad PDB record found on line 127005  
ATOM 3909e HWS SOL W5649 -54.551 -75.827 -79.241 1.00 0.00 H  
  
Ignored bad PDB record found on line 127006  
ATOM 390a0 HWS SOL W5649 -54.941 -75.655 -80.694 1.00 0.00 H  
  
Ignored bad PDB record found on line 127007  
ATOM 390a2 OWS SOL W564a -64.154 -82.922 -58.210 1.00 0.00 O  
  
62 messages similar to the above omitted  
Duplicate atom serial number found: 39120  
Duplicate atom serial number found: 39122  
Duplicate atom serial number found: 39124  
Duplicate atom serial number found: 39126  
Duplicate atom serial number found: 39128  
Ignored bad PDB record found on line 127075  
ATOM 3912a HWS SOL W5661 -45.164 86.469 -70.461 1.00 0.00 H  
  
Ignored bad PDB record found on line 127076  
ATOM 3912c OWS SOL W5662 -54.210 -81.873 -40.796 1.00 0.00 O  
  
Ignored bad PDB record found on line 127077  
ATOM 3912e HWS SOL W5662 -53.580 -81.190 -40.568 1.00 0.00 H  
  
Duplicate atom serial number found: 39130  
Duplicate atom serial number found: 39132  
Duplicate atom serial number found: 39134  
Duplicate atom serial number found: 39136  
Duplicate atom serial number found: 39138  
Ignored bad PDB record found on line 127083  
ATOM 3913a HWS SOL W5664 -49.472 -88.135 81.212 1.00 0.00 H  
  
Ignored bad PDB record found on line 127084  
ATOM 3913c HWS SOL W5664 -49.270 -86.752 80.630 1.00 0.00 H  
  
Ignored bad PDB record found on line 127085  
ATOM 3913e OWS SOL W5665 -68.411 88.184 82.345 1.00 0.00 O  
  
Duplicate atom serial number found: 39140  
Duplicate atom serial number found: 39142  
Duplicate atom serial number found: 39144  
Duplicate atom serial number found: 39146  
Duplicate atom serial number found: 39148  
Ignored bad PDB record found on line 127091  
ATOM 3914a OWS SOL W5667 -33.186 -70.776 89.293 1.00 0.00 O  
  
Ignored bad PDB record found on line 127092  
ATOM 3914c HWS SOL W5667 -33.111 -71.671 89.625 1.00 0.00 H  
  
Ignored bad PDB record found on line 127093  
ATOM 3914e HWS SOL W5667 -33.041 -70.223 90.061 1.00 0.00 H  
  
Duplicate atom serial number found: 39150  
Duplicate atom serial number found: 39152  
Duplicate atom serial number found: 39154  
Duplicate atom serial number found: 39156  
Duplicate atom serial number found: 39158  
Ignored bad PDB record found on line 127099  
ATOM 3915a HWS SOL W5669 -73.353 72.532 -87.428 1.00 0.00 H  
  
Ignored bad PDB record found on line 127100  
ATOM 3915c OWS SOL W566a -55.009 -54.924 80.053 1.00 0.00 O  
  
Ignored bad PDB record found on line 127101  
ATOM 3915e HWS SOL W566a -55.402 -55.624 79.531 1.00 0.00 H  
  
Ignored bad PDB record found on line 127102  
ATOM 39160 HWS SOL W566a -55.738 -54.335 80.252 1.00 0.00 H  
  
Ignored bad PDB record found on line 127103  
ATOM 39162 OWS SOL W566b -45.526 81.006 82.653 1.00 0.00 O  
  
14 messages similar to the above omitted  
Duplicate atom serial number found: 39180  
Duplicate atom serial number found: 39182  
Duplicate atom serial number found: 39184  
Duplicate atom serial number found: 39186  
Duplicate atom serial number found: 39188  
Ignored bad PDB record found on line 127123  
ATOM 3918a HWS SOL W5671 -56.759 -73.833 77.486 1.00 0.00 H  
  
Ignored bad PDB record found on line 127124  
ATOM 3918c OWS SOL W5672 -66.432 -78.122 -83.951 1.00 0.00 O  
  
Ignored bad PDB record found on line 127125  
ATOM 3918e HWS SOL W5672 -65.509 -78.223 -84.185 1.00 0.00 H  
  
Duplicate atom serial number found: 39190  
Duplicate atom serial number found: 39192  
Duplicate atom serial number found: 39194  
Duplicate atom serial number found: 39196  
Duplicate atom serial number found: 39198  
Ignored bad PDB record found on line 127131  
ATOM 3919a HWS SOL W5674 -52.459 -76.554 -66.700 1.00 0.00 H  
  
Ignored bad PDB record found on line 127132  
ATOM 3919c HWS SOL W5674 -51.454 -75.455 -66.976 1.00 0.00 H  
  
Ignored bad PDB record found on line 127133  
ATOM 3919e OWS SOL W5675 -54.624 -87.989 -86.487 1.00 0.00 O  
  
Ignored bad PDB record found on line 127134  
ATOM 391a0 HWS SOL W5675 -54.628 -87.043 -86.633 1.00 0.00 H  
  
Ignored bad PDB record found on line 127135  
ATOM 391a2 HWS SOL W5675 -54.434 -88.087 -85.553 1.00 0.00 H  
  
46 messages similar to the above omitted  
Duplicate atom serial number found: 39200  
Duplicate atom serial number found: 39202  
Duplicate atom serial number found: 39204  
Duplicate atom serial number found: 39206  
Duplicate atom serial number found: 39208  
Ignored bad PDB record found on line 127187  
ATOM 3920a OWS SOL W5687 -55.772 -78.555 -88.416 1.00 0.00 O  
  
Ignored bad PDB record found on line 127188  
ATOM 3920c HWS SOL W5687 -55.338 -79.406 -88.353 1.00 0.00 H  
  
Ignored bad PDB record found on line 127189  
ATOM 3920e HWS SOL W5687 -56.388 -78.652 -89.142 1.00 0.00 H  
  
Duplicate atom serial number found: 39210  
Duplicate atom serial number found: 39212  
Duplicate atom serial number found: 39214  
Duplicate atom serial number found: 39216  
Duplicate atom serial number found: 39218  
Ignored bad PDB record found on line 127195  
ATOM 3921a HWS SOL W5689 -46.235 -86.008 79.814 1.00 0.00 H  
  
Ignored bad PDB record found on line 127196  
ATOM 3921c OWS SOL W568a -59.833 -71.877 76.709 1.00 0.00 O  
  
Ignored bad PDB record found on line 127197  
ATOM 3921e HWS SOL W568a -60.553 -71.897 77.339 1.00 0.00 H  
  
Ignored bad PDB record found on line 127198  
ATOM 39220 HWS SOL W568a -59.778 -72.774 76.379 1.00 0.00 H  
  
Ignored bad PDB record found on line 127199  
ATOM 39222 OWS SOL W568b -59.473 -72.756 87.415 1.00 0.00 O  
  
14 messages similar to the above omitted  
Duplicate atom serial number found: 39240  
Duplicate atom serial number found: 39242  
Duplicate atom serial number found: 39244  
Duplicate atom serial number found: 39246  
Duplicate atom serial number found: 39248  
Ignored bad PDB record found on line 127219  
ATOM 3924a HWS SOL W5691 -52.363 -75.915 -81.253 1.00 0.00 H  
  
Ignored bad PDB record found on line 127220  
ATOM 3924c OWS SOL W5692 -55.811 -61.391 89.189 1.00 0.00 O  
  
Ignored bad PDB record found on line 127221  
ATOM 3924e HWS SOL W5692 -55.556 -60.628 88.670 1.00 0.00 H  
  
Duplicate atom serial number found: 39250  
Duplicate atom serial number found: 39252  
Duplicate atom serial number found: 39254  
Duplicate atom serial number found: 39256  
Duplicate atom serial number found: 39258  
Ignored bad PDB record found on line 127227  
ATOM 3925a HWS SOL W5694 -50.945 -88.268 83.636 1.00 0.00 H  
  
Ignored bad PDB record found on line 127228  
ATOM 3925c HWS SOL W5694 -49.633 -88.397 84.382 1.00 0.00 H  
  
Ignored bad PDB record found on line 127229  
ATOM 3925e OWS SOL W5695 -56.772 -84.361 -72.314 1.00 0.00 O  
  
Duplicate atom serial number found: 39260  
Duplicate atom serial number found: 39262  
Duplicate atom serial number found: 39264  
Duplicate atom serial number found: 39266  
Duplicate atom serial number found: 39268  
Ignored bad PDB record found on line 127235  
ATOM 3926a OWS SOL W5697 -60.579 -61.892 -83.636 1.00 0.00 O  
  
Ignored bad PDB record found on line 127236  
ATOM 3926c HWS SOL W5697 -61.235 -61.205 -83.515 1.00 0.00 H  
  
Ignored bad PDB record found on line 127237  
ATOM 3926e HWS SOL W5697 -60.102 -61.917 -82.807 1.00 0.00 H  
  
Duplicate atom serial number found: 39270  
Duplicate atom serial number found: 39272  
Duplicate atom serial number found: 39274  
Duplicate atom serial number found: 39276  
Duplicate atom serial number found: 39278  
Ignored bad PDB record found on line 127243  
ATOM 3927a HWS SOL W5699 -72.043 73.738 -89.095 1.00 0.00 H  
  
Ignored bad PDB record found on line 127244  
ATOM 3927c OWS SOL W569a -63.935 79.685 -79.283 1.00 0.00 O  
  
Ignored bad PDB record found on line 127245  
ATOM 3927e HWS SOL W569a -63.562 80.525 -79.548 1.00 0.00 H  
  
Ignored bad PDB record found on line 127246  
ATOM 39280 HWS SOL W569a -63.701 79.084 -79.990 1.00 0.00 H  
  
Ignored bad PDB record found on line 127247  
ATOM 39282 OWS SOL W569b -55.100 -79.584 -67.625 1.00 0.00 O  
  
318 messages similar to the above omitted  
Duplicate atom serial number found: 39500  
Duplicate atom serial number found: 39502  
Duplicate atom serial number found: 39504  
Duplicate atom serial number found: 39506  
Duplicate atom serial number found: 39508  
Ignored bad PDB record found on line 127571  
ATOM 3950a OWS SOL W5709 -72.076 78.764 -68.581 1.00 0.00 O  
  
Ignored bad PDB record found on line 127572  
ATOM 3950c HWS SOL W5709 -71.225 78.379 -68.788 1.00 0.00 H  
  
Ignored bad PDB record found on line 127573  
ATOM 3950e HWS SOL W5709 -71.887 79.417 -67.908 1.00 0.00 H  
  
Ignored bad PDB record found on line 127574  
ATOM 39510 OWS SOL W570a -71.234 -85.852 -46.126 1.00 0.00 O  
  
Ignored bad PDB record found on line 127575  
ATOM 39512 HWS SOL W570a -71.788 -85.179 -46.521 1.00 0.00 H  
  
16 messages similar to the above omitted  
Duplicate atom serial number found: 39534  
Duplicate atom serial number found: 39536  
Duplicate atom serial number found: 39538  
Ignored bad PDB record found on line 127595  
ATOM 3953a OWS SOL W5711 -59.122 -89.656 -61.361 1.00 0.00 O  
  
Ignored bad PDB record found on line 127596  
ATOM 3953c HWS SOL W5711 -59.106 -88.879 -60.801 1.00 0.00 H  
  
Ignored bad PDB record found on line 127597  
ATOM 3953e HWS SOL W5711 -58.289 -89.629 -61.831 1.00 0.00 H  
  
Duplicate atom serial number found: 39540  
Duplicate atom serial number found: 39542  
Duplicate atom serial number found: 39544  
Duplicate atom serial number found: 39546  
Duplicate atom serial number found: 39548  
Ignored bad PDB record found on line 127603  
ATOM 3954a HWS SOL W5713 -37.296 -75.857 -49.510 1.00 0.00 H  
  
Ignored bad PDB record found on line 127604  
ATOM 3954c OWS SOL W5714 -80.428 74.524 -43.041 1.00 0.00 O  
  
Ignored bad PDB record found on line 127605  
ATOM 3954e HWS SOL W5714 -79.530 74.716 -43.311 1.00 0.00 H  
  
Duplicate atom serial number found: 39550  
Duplicate atom serial number found: 39552  
Duplicate atom serial number found: 39554  
Duplicate atom serial number found: 39556  
Duplicate atom serial number found: 39558  
Ignored bad PDB record found on line 127611  
ATOM 3955a HWS SOL W5716 -61.694 -66.872 -69.653 1.00 0.00 H  
  
Ignored bad PDB record found on line 127612  
ATOM 3955c HWS SOL W5716 -61.971 -68.241 -69.070 1.00 0.00 H  
  
Ignored bad PDB record found on line 127613  
ATOM 3955e OWS SOL W5717 -62.565 -74.293 -37.757 1.00 0.00 O  
  
Duplicate atom serial number found: 39560  
Duplicate atom serial number found: 39562  
Duplicate atom serial number found: 39564  
Duplicate atom serial number found: 39566  
Duplicate atom serial number found: 39568  
Ignored bad PDB record found on line 127619  
ATOM 3956a OWS SOL W5719 -70.695 -77.827 -47.998 1.00 0.00 O  
  
Ignored bad PDB record found on line 127620  
ATOM 3956c HWS SOL W5719 -70.238 -77.612 -48.811 1.00 0.00 H  
  
Ignored bad PDB record found on line 127621  
ATOM 3956e HWS SOL W5719 -71.611 -77.926 -48.257 1.00 0.00 H  
  
Ignored bad PDB record found on line 127622  
ATOM 39570 OWS SOL W571a -49.028 -84.870 -63.804 1.00 0.00 O  
  
Ignored bad PDB record found on line 127623  
ATOM 39572 HWS SOL W571a -49.379 -85.364 -64.546 1.00 0.00 H  
  
16 messages similar to the above omitted  
Duplicate atom serial number found: 39594  
Duplicate atom serial number found: 39596  
Duplicate atom serial number found: 39598  
Ignored bad PDB record found on line 127643  
ATOM 3959a OWS SOL W5721 -52.499 -88.672 -49.130 1.00 0.00 O  
  
Ignored bad PDB record found on line 127644  
ATOM 3959c HWS SOL W5721 -52.541 -88.219 -48.288 1.00 0.00 H  
  
Ignored bad PDB record found on line 127645  
ATOM 3959e HWS SOL W5721 -52.348 -89.589 -48.902 1.00 0.00 H  
  
Ignored bad PDB record found on line 127646  
ATOM 395a0 OWS SOL W5722 -54.371 -60.687 -77.955 1.00 0.00 O  
  
Ignored bad PDB record found on line 127647  
ATOM 395a2 HWS SOL W5722 -54.617 -60.058 -78.633 1.00 0.00 H  
  
46 messages similar to the above omitted  
Duplicate atom serial number found: 39600  
Duplicate atom serial number found: 39602  
Duplicate atom serial number found: 39604  
Duplicate atom serial number found: 39606  
Duplicate atom serial number found: 39608  
Ignored bad PDB record found on line 127699  
ATOM 3960a HWS SOL W5733 -53.672 -86.849 -62.835 1.00 0.00 H  
  
Ignored bad PDB record found on line 127700  
ATOM 3960c OWS SOL W5734 -66.323 -79.222 -67.893 1.00 0.00 O  
  
Ignored bad PDB record found on line 127701  
ATOM 3960e HWS SOL W5734 -66.752 -79.597 -67.124 1.00 0.00 H  
  
Duplicate atom serial number found: 39610  
Duplicate atom serial number found: 39612  
Duplicate atom serial number found: 39614  
Duplicate atom serial number found: 39616  
Duplicate atom serial number found: 39618  
Ignored bad PDB record found on line 127707  
ATOM 3961a HWS SOL W5736 -37.253 89.862 -45.362 1.00 0.00 H  
  
Ignored bad PDB record found on line 127708  
ATOM 3961c HWS SOL W5736 -35.853 89.300 -45.230 1.00 0.00 H  
  
Ignored bad PDB record found on line 127709  
ATOM 3961e OWS SOL W5737 -73.518 -80.863 -63.369 1.00 0.00 O  
  
Duplicate atom serial number found: 39620  
Duplicate atom serial number found: 39622  
Duplicate atom serial number found: 39624  
Duplicate atom serial number found: 39626  
Duplicate atom serial number found: 39628  
Ignored bad PDB record found on line 127715  
ATOM 3962a OWS SOL W5739 -71.615 -85.836 -68.343 1.00 0.00 O  
  
Ignored bad PDB record found on line 127716  
ATOM 3962c HWS SOL W5739 -72.469 -86.240 -68.189 1.00 0.00 H  
  
Ignored bad PDB record found on line 127717  
ATOM 3962e HWS SOL W5739 -71.017 -86.574 -68.457 1.00 0.00 H  
  
Ignored bad PDB record found on line 127718  
ATOM 39630 OWS SOL W573a -52.117 75.762 -68.038 1.00 0.00 O  
  
Ignored bad PDB record found on line 127719  
ATOM 39632 HWS SOL W573a -51.768 75.787 -68.929 1.00 0.00 H  
  
16 messages similar to the above omitted  
Duplicate atom serial number found: 39654  
Duplicate atom serial number found: 39656  
Duplicate atom serial number found: 39658  
Ignored bad PDB record found on line 127739  
ATOM 3965a OWS SOL W5741 -50.978 -62.966 -66.646 1.00 0.00 O  
  
Ignored bad PDB record found on line 127740  
ATOM 3965c HWS SOL W5741 -51.264 -62.587 -65.815 1.00 0.00 H  
  
Ignored bad PDB record found on line 127741  
ATOM 3965e HWS SOL W5741 -50.305 -62.364 -66.965 1.00 0.00 H  
  
Duplicate atom serial number found: 39660  
Duplicate atom serial number found: 39662  
Duplicate atom serial number found: 39664  
Duplicate atom serial number found: 39666  
Duplicate atom serial number found: 39668  
Ignored bad PDB record found on line 127747  
ATOM 3966a HWS SOL W5743 -39.328 84.378 -60.181 1.00 0.00 H  
  
Ignored bad PDB record found on line 127748  
ATOM 3966c OWS SOL W5744 -42.818 -56.778 -37.103 1.00 0.00 O  
  
Ignored bad PDB record found on line 127749  
ATOM 3966e HWS SOL W5744 -42.194 -56.560 -37.795 1.00 0.00 H  
  
Duplicate atom serial number found: 39670  
Duplicate atom serial number found: 39672  
Duplicate atom serial number found: 39674  
Duplicate atom serial number found: 39676  
Duplicate atom serial number found: 39678  
Ignored bad PDB record found on line 127755  
ATOM 3967a HWS SOL W5746 -42.100 -85.943 -81.312 1.00 0.00 H  
  
Ignored bad PDB record found on line 127756  
ATOM 3967c HWS SOL W5746 -40.804 -86.708 -81.482 1.00 0.00 H  
  
Ignored bad PDB record found on line 127757  
ATOM 3967e OWS SOL W5747 -40.042 -76.803 -40.973 1.00 0.00 O  
  
Duplicate atom serial number found: 39680  
Duplicate atom serial number found: 39682  
Duplicate atom serial number found: 39684  
Duplicate atom serial number found: 39686  
Duplicate atom serial number found: 39688  
Ignored bad PDB record found on line 127763  
ATOM 3968a OWS SOL W5749 -69.886 -59.592 -77.406 1.00 0.00 O  
  
Ignored bad PDB record found on line 127764  
ATOM 3968c HWS SOL W5749 -69.170 -60.158 -77.696 1.00 0.00 H  
  
Ignored bad PDB record found on line 127765  
ATOM 3968e HWS SOL W5749 -70.343 -60.106 -76.740 1.00 0.00 H  
  
Ignored bad PDB record found on line 127766  
ATOM 39690 OWS SOL W574a -42.019 -87.654 -48.578 1.00 0.00 O  
  
Ignored bad PDB record found on line 127767  
ATOM 39692 HWS SOL W574a -41.433 -87.167 -47.998 1.00 0.00 H  
  
64 messages similar to the above omitted  
Duplicate atom serial number found: 39714  
Duplicate atom serial number found: 39716  
Duplicate atom serial number found: 39718  
Ignored bad PDB record found on line 127835  
ATOM 3971a OWS SOL W5761 -70.459 -79.074 -27.692 1.00 0.00 O  
  
Ignored bad PDB record found on line 127836  
ATOM 3971c HWS SOL W5761 -69.969 -79.673 -28.255 1.00 0.00 H  
  
Ignored bad PDB record found on line 127837  
ATOM 3971e HWS SOL W5761 -70.566 -79.552 -26.869 1.00 0.00 H  
  
Duplicate atom serial number found: 39720  
Duplicate atom serial number found: 39722  
Duplicate atom serial number found: 39724  
Duplicate atom serial number found: 39726  
Duplicate atom serial number found: 39728  
Ignored bad PDB record found on line 127843  
ATOM 3972a HWS SOL W5763 -82.714 68.946 -60.090 1.00 0.00 H  
  
Ignored bad PDB record found on line 127844  
ATOM 3972c OWS SOL W5764 -48.777 -60.533 -52.125 1.00 0.00 O  
  
Ignored bad PDB record found on line 127845  
ATOM 3972e HWS SOL W5764 -49.332 -59.896 -51.674 1.00 0.00 H  
  
Duplicate atom serial number found: 39730  
Duplicate atom serial number found: 39732  
Duplicate atom serial number found: 39734  
Duplicate atom serial number found: 39736  
Duplicate atom serial number found: 39738  
Ignored bad PDB record found on line 127851  
ATOM 3973a HWS SOL W5766 -67.132 83.846 -77.188 1.00 0.00 H  
  
Ignored bad PDB record found on line 127852  
ATOM 3973c HWS SOL W5766 -68.575 84.019 -76.763 1.00 0.00 H  
  
Ignored bad PDB record found on line 127853  
ATOM 3973e OWS SOL W5767 -50.412 -82.710 -56.532 1.00 0.00 O  
  
Duplicate atom serial number found: 39740  
Duplicate atom serial number found: 39742  
Duplicate atom serial number found: 39744  
Duplicate atom serial number found: 39746  
Duplicate atom serial number found: 39748  
Ignored bad PDB record found on line 127859  
ATOM 3974a OWS SOL W5769 -52.223 -67.290 -47.174 1.00 0.00 O  
  
Ignored bad PDB record found on line 127860  
ATOM 3974c HWS SOL W5769 -52.741 -67.563 -46.417 1.00 0.00 H  
  
Ignored bad PDB record found on line 127861  
ATOM 3974e HWS SOL W5769 -51.855 -68.104 -47.519 1.00 0.00 H  
  
Ignored bad PDB record found on line 127862  
ATOM 39750 OWS SOL W576a -29.619 -81.964 -35.381 1.00 0.00 O  
  
Ignored bad PDB record found on line 127863  
ATOM 39752 HWS SOL W576a -30.216 -81.911 -36.127 1.00 0.00 H  
  
16 messages similar to the above omitted  
Duplicate atom serial number found: 39774  
Duplicate atom serial number found: 39776  
Duplicate atom serial number found: 39778  
Ignored bad PDB record found on line 127883  
ATOM 3977a OWS SOL W5771 -66.124 -72.819 -30.114 1.00 0.00 O  
  
Ignored bad PDB record found on line 127884  
ATOM 3977c HWS SOL W5771 -65.502 -72.103 -29.982 1.00 0.00 H  
  
Ignored bad PDB record found on line 127885  
ATOM 3977e HWS SOL W5771 -66.139 -72.953 -31.061 1.00 0.00 H  
  
Duplicate atom serial number found: 39780  
Duplicate atom serial number found: 39782  
Duplicate atom serial number found: 39784  
Duplicate atom serial number found: 39786  
Duplicate atom serial number found: 39788  
Ignored bad PDB record found on line 127891  
ATOM 3978a HWS SOL W5773 -47.159 80.993 -68.401 1.00 0.00 H  
  
Ignored bad PDB record found on line 127892  
ATOM 3978c OWS SOL W5774 -35.029 -87.632 89.679 1.00 0.00 O  
  
Ignored bad PDB record found on line 127893  
ATOM 3978e HWS SOL W5774 -35.782 -87.983 89.205 1.00 0.00 H  
  
Duplicate atom serial number found: 39790  
Duplicate atom serial number found: 39792  
Duplicate atom serial number found: 39794  
Duplicate atom serial number found: 39796  
Duplicate atom serial number found: 39798  
Ignored bad PDB record found on line 127899  
ATOM 3979a HWS SOL W5776 -46.009 -79.480 -47.849 1.00 0.00 H  
  
Ignored bad PDB record found on line 127900  
ATOM 3979c HWS SOL W5776 -46.833 -80.524 -48.572 1.00 0.00 H  
  
Ignored bad PDB record found on line 127901  
ATOM 3979e OWS SOL W5777 -69.460 -66.405 -85.277 1.00 0.00 O  
  
Ignored bad PDB record found on line 127902  
ATOM 397a0 HWS SOL W5777 -69.905 -66.905 -84.593 1.00 0.00 H  
  
Ignored bad PDB record found on line 127903  
ATOM 397a2 HWS SOL W5777 -68.823 -65.868 -84.807 1.00 0.00 H  
  
46 messages similar to the above omitted  
Duplicate atom serial number found: 39800  
Duplicate atom serial number found: 39802  
Duplicate atom serial number found: 39804  
Duplicate atom serial number found: 39806  
Duplicate atom serial number found: 39808  
Ignored bad PDB record found on line 127955  
ATOM 3980a OWS SOL W5789 -63.103 -88.040 -68.890 1.00 0.00 O  
  
Ignored bad PDB record found on line 127956  
ATOM 3980c HWS SOL W5789 -63.815 -88.631 -69.133 1.00 0.00 H  
  
Ignored bad PDB record found on line 127957  
ATOM 3980e HWS SOL W5789 -62.920 -88.248 -67.974 1.00 0.00 H  
  
Ignored bad PDB record found on line 127958  
ATOM 39810 OWS SOL W578a -77.846 81.583 -49.202 1.00 0.00 O  
  
Ignored bad PDB record found on line 127959  
ATOM 39812 HWS SOL W578a -78.141 82.437 -49.519 1.00 0.00 H  
  
16 messages similar to the above omitted  
Duplicate atom serial number found: 39834  
Duplicate atom serial number found: 39836  
Duplicate atom serial number found: 39838  
Ignored bad PDB record found on line 127979  
ATOM 3983a OWS SOL W5791 -83.363 76.407 -59.621 1.00 0.00 O  
  
Ignored bad PDB record found on line 127980  
ATOM 3983c HWS SOL W5791 -83.860 75.692 -60.019 1.00 0.00 H  
  
Ignored bad PDB record found on line 127981  
ATOM 3983e HWS SOL W5791 -82.466 76.278 -59.930 1.00 0.00 H  
  
Duplicate atom serial number found: 39840  
Duplicate atom serial number found: 39842  
Duplicate atom serial number found: 39844  
Duplicate atom serial number found: 39846  
Duplicate atom serial number found: 39848  
Ignored bad PDB record found on line 127987  
ATOM 3984a HWS SOL W5793 -44.164 -81.030 -36.192 1.00 0.00 H  
  
Ignored bad PDB record found on line 127988  
ATOM 3984c OWS SOL W5794 -72.543 87.623 -58.488 1.00 0.00 O  
  
Ignored bad PDB record found on line 127989  
ATOM 3984e HWS SOL W5794 -73.019 87.358 -59.276 1.00 0.00 H  
  
Duplicate atom serial number found: 39850  
Duplicate atom serial number found: 39852  
Duplicate atom serial number found: 39854  
Duplicate atom serial number found: 39856  
Duplicate atom serial number found: 39858  
Ignored bad PDB record found on line 127995  
ATOM 3985a HWS SOL W5796 -48.534 -73.531 -34.700 1.00 0.00 H  
  
Ignored bad PDB record found on line 127996  
ATOM 3985c HWS SOL W5796 -49.234 -72.201 -34.879 1.00 0.00 H  
  
Ignored bad PDB record found on line 127997  
ATOM 3985e OWS SOL W5797 -51.589 -70.508 -40.791 1.00 0.00 O  
  
Duplicate atom serial number found: 39860  
Duplicate atom serial number found: 39862  
Duplicate atom serial number found: 39864  
Duplicate atom serial number found: 39866  
Duplicate atom serial number found: 39868  
Ignored bad PDB record found on line 128003  
ATOM 3986a OWS SOL W5799 -50.408 -51.300 -79.371 1.00 0.00 O  
  
Ignored bad PDB record found on line 128004  
ATOM 3986c HWS SOL W5799 -51.145 -50.940 -78.877 1.00 0.00 H  
  
Ignored bad PDB record found on line 128005  
ATOM 3986e HWS SOL W5799 -50.559 -52.245 -79.373 1.00 0.00 H  
  
Ignored bad PDB record found on line 128006  
ATOM 39870 OWS SOL W579a -60.884 -72.752 -47.541 1.00 0.00 O  
  
Ignored bad PDB record found on line 128007  
ATOM 39872 HWS SOL W579a -60.790 -73.076 -46.646 1.00 0.00 H  
  
13288 messages similar to the above omitted  
Duplicate atom serial number found: 40044  
Duplicate atom serial number found: 40046  
Duplicate atom serial number found: 40048  
Ignored bad PDB record found on line 141299  
ATOM 4004a OWS SOL W6901 -44.618 -50.376 -27.681 1.00 0.00 O  
  
Ignored bad PDB record found on line 141300  
ATOM 4004c HWS SOL W6901 -45.179 -51.122 -27.893 1.00 0.00 H  
  
Ignored bad PDB record found on line 141301  
ATOM 4004e HWS SOL W6901 -43.758 -50.618 -28.024 1.00 0.00 H  
  
Duplicate atom serial number found: 40050  
Duplicate atom serial number found: 40052  
Duplicate atom serial number found: 40054  
Duplicate atom serial number found: 40056  
Duplicate atom serial number found: 40058  
Ignored bad PDB record found on line 141307  
ATOM 4005a HWS SOL W6903 -70.762 -56.812 -40.979 1.00 0.00 H  
  
Ignored bad PDB record found on line 141308  
ATOM 4005c OWS SOL W6904 -60.728 -72.532 -18.895 1.00 0.00 O  
  
Ignored bad PDB record found on line 141309  
ATOM 4005e HWS SOL W6904 -60.118 -72.088 -18.305 1.00 0.00 H  
  
Duplicate atom serial number found: 40060  
Duplicate atom serial number found: 40062  
Duplicate atom serial number found: 40064  
Duplicate atom serial number found: 40066  
Duplicate atom serial number found: 40068  
Ignored bad PDB record found on line 141315  
ATOM 4006a HWS SOL W6906 -67.715 -61.398 -30.012 1.00 0.00 H  
  
Ignored bad PDB record found on line 141316  
ATOM 4006c HWS SOL W6906 -66.475 -60.689 -29.509 1.00 0.00 H  
  
Ignored bad PDB record found on line 141317  
ATOM 4006e OWS SOL W6907 -67.897 -67.515 -20.112 1.00 0.00 O  
  
Duplicate atom serial number found: 40070  
Duplicate atom serial number found: 40072  
Duplicate atom serial number found: 40074  
Duplicate atom serial number found: 40076  
Duplicate atom serial number found: 40078  
Ignored bad PDB record found on line 141323  
ATOM 4007a OWS SOL W6909 -44.859 -78.226 -25.678 1.00 0.00 O  
  
Ignored bad PDB record found on line 141324  
ATOM 4007c HWS SOL W6909 -44.673 -78.659 -26.511 1.00 0.00 H  
  
Ignored bad PDB record found on line 141325  
ATOM 4007e HWS SOL W6909 -45.168 -78.929 -25.107 1.00 0.00 H  
  
Ignored bad PDB record found on line 141326  
ATOM 40080 OWS SOL W690a -89.724 -77.801 -14.811 1.00 0.00 O  
  
Ignored bad PDB record found on line 141327  
ATOM 40082 HWS SOL W690a -90.454 -77.511 -14.264 1.00 0.00 H  
  
64 messages similar to the above omitted  
Duplicate atom serial number found: 40104  
Duplicate atom serial number found: 40106  
Duplicate atom serial number found: 40108  
Ignored bad PDB record found on line 141395  
ATOM 4010a OWS SOL W6921 -81.815 -41.250 -55.317 1.00 0.00 O  
  
Ignored bad PDB record found on line 141396  
ATOM 4010c HWS SOL W6921 -81.385 -41.825 -54.683 1.00 0.00 H  
  
Ignored bad PDB record found on line 141397  
ATOM 4010e HWS SOL W6921 -81.197 -40.530 -55.445 1.00 0.00 H  
  
Duplicate atom serial number found: 40110  
Duplicate atom serial number found: 40112  
Duplicate atom serial number found: 40114  
Duplicate atom serial number found: 40116  
Duplicate atom serial number found: 40118  
Ignored bad PDB record found on line 141403  
ATOM 4011a HWS SOL W6923 -51.646 -76.127 -35.882 1.00 0.00 H  
  
Ignored bad PDB record found on line 141404  
ATOM 4011c OWS SOL W6924 -67.569 -36.037 -46.793 1.00 0.00 O  
  
Ignored bad PDB record found on line 141405  
ATOM 4011e HWS SOL W6924 -67.030 -36.471 -46.132 1.00 0.00 H  
  
Duplicate atom serial number found: 40120  
Duplicate atom serial number found: 40122  
Duplicate atom serial number found: 40124  
Duplicate atom serial number found: 40126  
Duplicate atom serial number found: 40128  
Ignored bad PDB record found on line 141411  
ATOM 4012a HWS SOL W6926 -71.200 -50.845 -30.547 1.00 0.00 H  
  
Ignored bad PDB record found on line 141412  
ATOM 4012c HWS SOL W6926 -69.758 -50.669 -30.974 1.00 0.00 H  
  
Ignored bad PDB record found on line 141413  
ATOM 4012e OWS SOL W6927 -67.196 -48.338 -17.178 1.00 0.00 O  
  
Duplicate atom serial number found: 40130  
Duplicate atom serial number found: 40132  
Duplicate atom serial number found: 40134  
Duplicate atom serial number found: 40136  
Duplicate atom serial number found: 40138  
Ignored bad PDB record found on line 141419  
ATOM 4013a OWS SOL W6929 -67.829 -61.402 -13.828 1.00 0.00 O  
  
Ignored bad PDB record found on line 141420  
ATOM 4013c HWS SOL W6929 -67.547 -62.156 -14.346 1.00 0.00 H  
  
Ignored bad PDB record found on line 141421  
ATOM 4013e HWS SOL W6929 -67.577 -60.642 -14.353 1.00 0.00 H  
  
Ignored bad PDB record found on line 141422  
ATOM 40140 OWS SOL W692a -52.816 -66.315 -11.650 1.00 0.00 O  
  
Ignored bad PDB record found on line 141423  
ATOM 40142 HWS SOL W692a -53.726 -66.611 -11.628 1.00 0.00 H  
  
16 messages similar to the above omitted  
Duplicate atom serial number found: 40164  
Duplicate atom serial number found: 40166  
Duplicate atom serial number found: 40168  
Ignored bad PDB record found on line 141443  
ATOM 4016a OWS SOL W6931 -54.120 -34.396 -46.123 1.00 0.00 O  
  
Ignored bad PDB record found on line 141444  
ATOM 4016c HWS SOL W6931 -53.737 -33.991 -46.902 1.00 0.00 H  
  
Ignored bad PDB record found on line 141445  
ATOM 4016e HWS SOL W6931 -54.584 -33.682 -45.685 1.00 0.00 H  
  
Duplicate atom serial number found: 40170  
Duplicate atom serial number found: 40172  
Duplicate atom serial number found: 40174  
Duplicate atom serial number found: 40176  
Duplicate atom serial number found: 40178  
Ignored bad PDB record found on line 141451  
ATOM 4017a HWS SOL W6933 -31.549 -53.879 -16.850 1.00 0.00 H  
  
Ignored bad PDB record found on line 141452  
ATOM 4017c OWS SOL W6934 -67.918 -55.165 -54.068 1.00 0.00 O  
  
Ignored bad PDB record found on line 141453  
ATOM 4017e HWS SOL W6934 -68.811 -54.828 -54.003 1.00 0.00 H  
  
Duplicate atom serial number found: 40180  
Duplicate atom serial number found: 40182  
Duplicate atom serial number found: 40184  
Duplicate atom serial number found: 40186  
Duplicate atom serial number found: 40188  
Ignored bad PDB record found on line 141459  
ATOM 4018a HWS SOL W6936 -59.325 -66.325 -6.431 1.00 0.00 H  
  
Ignored bad PDB record found on line 141460  
ATOM 4018c HWS SOL W6936 -59.264 -65.335 -5.287 1.00 0.00 H  
  
Ignored bad PDB record found on line 141461  
ATOM 4018e OWS SOL W6937 -38.422 -36.063 -21.074 1.00 0.00 O  
  
Duplicate atom serial number found: 40190  
Duplicate atom serial number found: 40192  
Duplicate atom serial number found: 40194  
Duplicate atom serial number found: 40196  
Duplicate atom serial number found: 40198  
Ignored bad PDB record found on line 141467  
ATOM 4019a OWS SOL W693a -39.282 -38.398 -14.422 1.00 0.00 O  
  
Ignored bad PDB record found on line 141468  
ATOM 4019c HWS SOL W693a -39.638 -37.543 -14.666 1.00 0.00 H  
  
Ignored bad PDB record found on line 141469  
ATOM 4019e HWS SOL W693a -40.018 -39.002 -14.524 1.00 0.00 H  
  
Ignored bad PDB record found on line 141470  
ATOM 401a0 OWS SOL W693b -75.387 -64.322 -23.490 1.00 0.00 O  
  
Ignored bad PDB record found on line 141471  
ATOM 401a2 HWS SOL W693b -75.174 -63.390 -23.442 1.00 0.00 H  
  
62 messages similar to the above omitted  
Duplicate atom serial number found: 40220  
Duplicate atom serial number found: 40222  
Duplicate atom serial number found: 40224  
Duplicate atom serial number found: 40226  
Duplicate atom serial number found: 40228  
Ignored bad PDB record found on line 141539  
ATOM 4022a OWS SOL W6952 -64.951 -34.493 -43.898 1.00 0.00 O  
  
Ignored bad PDB record found on line 141540  
ATOM 4022c HWS SOL W6952 -65.409 -34.857 -43.140 1.00 0.00 H  
  
Ignored bad PDB record found on line 141541  
ATOM 4022e HWS SOL W6952 -65.650 -34.173 -44.469 1.00 0.00 H  
  
Duplicate atom serial number found: 40230  
Duplicate atom serial number found: 40232  
Duplicate atom serial number found: 40234  
Duplicate atom serial number found: 40236  
Duplicate atom serial number found: 40238  
Ignored bad PDB record found on line 141547  
ATOM 4023a HWS SOL W6954 -62.606 -64.929 -9.102 1.00 0.00 H  
  
Ignored bad PDB record found on line 141548  
ATOM 4023c OWS SOL W6955 -55.991 -65.704 -5.965 1.00 0.00 O  
  
Ignored bad PDB record found on line 141549  
ATOM 4023e HWS SOL W6955 -56.099 -65.338 -5.086 1.00 0.00 H  
  
Duplicate atom serial number found: 40240  
Duplicate atom serial number found: 40242  
Duplicate atom serial number found: 40244  
Duplicate atom serial number found: 40246  
Duplicate atom serial number found: 40248  
Ignored bad PDB record found on line 141555  
ATOM 4024a HWS SOL W6957 -34.438 -57.336 -17.968 1.00 0.00 H  
  
Ignored bad PDB record found on line 141556  
ATOM 4024c HWS SOL W6957 -35.001 -58.540 -18.693 1.00 0.00 H  
  
Ignored bad PDB record found on line 141557  
ATOM 4024e OWS SOL W6958 -59.165 -64.908 -34.288 1.00 0.00 O  
  
Duplicate atom serial number found: 40250  
Duplicate atom serial number found: 40252  
Duplicate atom serial number found: 40254  
Duplicate atom serial number found: 40256  
Duplicate atom serial number found: 40258  
Ignored bad PDB record found on line 141563  
ATOM 4025a OWS SOL W695a -54.533 -78.764 -30.476 1.00 0.00 O  
  
Ignored bad PDB record found on line 141564  
ATOM 4025c HWS SOL W695a -55.412 -78.620 -30.826 1.00 0.00 H  
  
Ignored bad PDB record found on line 141565  
ATOM 4025e HWS SOL W695a -54.329 -77.958 -30.001 1.00 0.00 H  
  
Ignored bad PDB record found on line 141566  
ATOM 40260 OWS SOL W695c -59.302 -50.405 -14.885 1.00 0.00 O  
  
Ignored bad PDB record found on line 141567  
ATOM 40262 HWS SOL W695c -58.981 -50.983 -14.193 1.00 0.00 H  
  
10 messages similar to the above omitted  
Duplicate atom serial number found: 40278  
Ignored bad PDB record found on line 141579  
ATOM 4027a HWS SOL W6960 -52.072 -65.536 -31.396 1.00 0.00 H  
  
Ignored bad PDB record found on line 141580  
ATOM 4027c HWS SOL W6960 -53.392 -66.196 -31.059 1.00 0.00 H  
  
Ignored bad PDB record found on line 141581  
ATOM 4027e OWS SOL W6961 -83.710 -33.373 -42.966 1.00 0.00 O  
  
Duplicate atom serial number found: 40280  
Duplicate atom serial number found: 40282  
Duplicate atom serial number found: 40284  
Duplicate atom serial number found: 40286  
Duplicate atom serial number found: 40288  
Ignored bad PDB record found on line 141587  
ATOM 4028a OWS SOL W6963 -40.831 -39.441 -19.944 1.00 0.00 O  
  
Ignored bad PDB record found on line 141588  
ATOM 4028c HWS SOL W6963 -41.484 -39.807 -19.347 1.00 0.00 H  
  
Ignored bad PDB record found on line 141589  
ATOM 4028e HWS SOL W6963 -41.328 -39.203 -20.726 1.00 0.00 H  
  
Duplicate atom serial number found: 40290  
Duplicate atom serial number found: 40292  
Duplicate atom serial number found: 40294  
Duplicate atom serial number found: 40296  
Duplicate atom serial number found: 40298  
Ignored bad PDB record found on line 141595  
ATOM 4029a HWS SOL W6965 -63.749 -52.332 -22.287 1.00 0.00 H  
  
Ignored bad PDB record found on line 141596  
ATOM 4029c OWS SOL W6966 -76.554 -74.458 -16.545 1.00 0.00 O  
  
Ignored bad PDB record found on line 141597  
ATOM 4029e HWS SOL W6966 -76.305 -73.681 -16.045 1.00 0.00 H  
  
Ignored bad PDB record found on line 141598  
ATOM 402a0 HWS SOL W6966 -75.736 -74.767 -16.933 1.00 0.00 H  
  
Ignored bad PDB record found on line 141599  
ATOM 402a2 OWS SOL W6967 -55.241 -67.890 -47.022 1.00 0.00 O  
  
46 messages similar to the above omitted  
Duplicate atom serial number found: 40300  
Duplicate atom serial number found: 40302  
Duplicate atom serial number found: 40304  
Duplicate atom serial number found: 40306  
Duplicate atom serial number found: 40308  
Ignored bad PDB record found on line 141651  
ATOM 4030a HWS SOL W6978 -52.702 -61.287 -21.879 1.00 0.00 H  
  
Ignored bad PDB record found on line 141652  
ATOM 4030c HWS SOL W6978 -52.782 -60.500 -20.589 1.00 0.00 H  
  
Ignored bad PDB record found on line 141653  
ATOM 4030e OWS SOL W6979 -71.174 -26.544 -27.860 1.00 0.00 O  
  
Duplicate atom serial number found: 40310  
Duplicate atom serial number found: 40312  
Ignored bad PDB record found on line 141656  
ATOM 40314 OWS SOL W697a -68.486 -74.428 -23.176 1.00 0.00 O  
  
Ignored bad PDB record found on line 141657  
ATOM 40316 HWS SOL W697a -68.934 -73.789 -22.621 1.00 0.00 H  
  
Ignored bad PDB record found on line 141658  
ATOM 40318 HWS SOL W697a -67.992 -73.898 -23.802 1.00 0.00 H  
  
Ignored bad PDB record found on line 141659  
ATOM 4031a OWS SOL W697b -52.784 -50.043 -6.090 1.00 0.00 O  
  
Ignored bad PDB record found on line 141660  
ATOM 4031c HWS SOL W697b -53.610 -50.338 -5.707 1.00 0.00 H  
  
13 messages similar to the above omitted  
Duplicate atom serial number found: 40338  
Ignored bad PDB record found on line 141675  
ATOM 4033a HWS SOL W6980 -59.625 -51.170 -37.499 1.00 0.00 H  
  
Ignored bad PDB record found on line 141676  
ATOM 4033c HWS SOL W6980 -58.827 -51.042 -36.219 1.00 0.00 H  
  
Ignored bad PDB record found on line 141677  
ATOM 4033e OWS SOL W6981 -67.020 -58.889 1.702 1.00 0.00 O  
  
Duplicate atom serial number found: 40340  
Duplicate atom serial number found: 40342  
Duplicate atom serial number found: 40344  
Duplicate atom serial number found: 40346  
Duplicate atom serial number found: 40348  
Ignored bad PDB record found on line 141683  
ATOM 4034a OWS SOL W6983 -64.738 -68.072 -46.274 1.00 0.00 O  
  
Ignored bad PDB record found on line 141684  
ATOM 4034c HWS SOL W6983 -63.976 -67.660 -45.867 1.00 0.00 H  
  
Ignored bad PDB record found on line 141685  
ATOM 4034e HWS SOL W6983 -64.883 -68.868 -45.763 1.00 0.00 H  
  
Duplicate atom serial number found: 40350  
Duplicate atom serial number found: 40352  
Duplicate atom serial number found: 40354  
Duplicate atom serial number found: 40356  
Duplicate atom serial number found: 40358  
Ignored bad PDB record found on line 141691  
ATOM 4035a HWS SOL W6985 -40.456 -68.066 -1.179 1.00 0.00 H  
  
Ignored bad PDB record found on line 141692  
ATOM 4035c OWS SOL W6986 -47.183 -60.227 -40.022 1.00 0.00 O  
  
Ignored bad PDB record found on line 141693  
ATOM 4035e HWS SOL W6986 -47.618 -60.588 -39.249 1.00 0.00 H  
  
Duplicate atom serial number found: 40360  
Duplicate atom serial number found: 40362  
Duplicate atom serial number found: 40364  
Duplicate atom serial number found: 40366  
Duplicate atom serial number found: 40368  
Ignored bad PDB record found on line 141699  
ATOM 4036a HWS SOL W6988 -58.963 -55.656 -38.109 1.00 0.00 H  
  
Ignored bad PDB record found on line 141700  
ATOM 4036c HWS SOL W6988 -57.867 -54.615 -38.033 1.00 0.00 H  
  
Ignored bad PDB record found on line 141701  
ATOM 4036e OWS SOL W6989 -48.953 -68.906 -32.263 1.00 0.00 O  
  
Duplicate atom serial number found: 40370  
Duplicate atom serial number found: 40372  
Ignored bad PDB record found on line 141704  
ATOM 40374 OWS SOL W698a -61.705 -56.552 -34.682 1.00 0.00 O  
  
Ignored bad PDB record found on line 141705  
ATOM 40376 HWS SOL W698a -61.427 -57.438 -34.453 1.00 0.00 H  
  
Ignored bad PDB record found on line 141706  
ATOM 40378 HWS SOL W698a -60.889 -56.072 -34.819 1.00 0.00 H  
  
Ignored bad PDB record found on line 141707  
ATOM 4037a OWS SOL W698b -85.321 -61.738 -42.010 1.00 0.00 O  
  
Ignored bad PDB record found on line 141708  
ATOM 4037c HWS SOL W698b -85.964 -61.058 -42.213 1.00 0.00 H  
  
13 messages similar to the above omitted  
Duplicate atom serial number found: 40398  
Ignored bad PDB record found on line 141723  
ATOM 4039a HWS SOL W6990 -52.550 -53.811 -27.104 1.00 0.00 H  
  
Ignored bad PDB record found on line 141724  
ATOM 4039c HWS SOL W6990 -52.176 -55.080 -26.368 1.00 0.00 H  
  
Ignored bad PDB record found on line 141725  
ATOM 4039e OWS SOL W6991 -51.151 -51.849 -39.876 1.00 0.00 O  
  
Ignored bad PDB record found on line 141726  
ATOM 403a0 HWS SOL W6991 -51.516 -51.819 -40.760 1.00 0.00 H  
  
Ignored bad PDB record found on line 141727  
ATOM 403a2 HWS SOL W6991 -51.587 -51.135 -39.411 1.00 0.00 H  
  
5678 messages similar to the above omitted  
Duplicate atom serial number found: 43000  
Duplicate atom serial number found: 43002  
Duplicate atom serial number found: 43004  
Duplicate atom serial number found: 43006  
Duplicate atom serial number found: 43008  
Ignored bad PDB record found on line 147411  
ATOM 4300a HWS SOL W7102 -59.233 -39.428 49.106 1.00 0.00 H  
  
Ignored bad PDB record found on line 147412  
ATOM 4300c HWS SOL W7102 -58.763 -39.187 50.525 1.00 0.00 H  
  
Ignored bad PDB record found on line 147413  
ATOM 4300e OWS SOL W7103 -70.896 -48.095 73.920 1.00 0.00 O  
  
Duplicate atom serial number found: 43010  
Duplicate atom serial number found: 43012  
Duplicate atom serial number found: 43014  
Duplicate atom serial number found: 43016  
Duplicate atom serial number found: 43018  
Ignored bad PDB record found on line 147419  
ATOM 4301a OWS SOL W7105 -68.289 -69.970 50.283 1.00 0.00 O  
  
Ignored bad PDB record found on line 147420  
ATOM 4301c HWS SOL W7105 -67.506 -70.176 50.793 1.00 0.00 H  
  
Ignored bad PDB record found on line 147421  
ATOM 4301e HWS SOL W7105 -68.178 -70.457 49.466 1.00 0.00 H  
  
Duplicate atom serial number found: 43020  
Duplicate atom serial number found: 43022  
Duplicate atom serial number found: 43024  
Duplicate atom serial number found: 43026  
Duplicate atom serial number found: 43028  
Ignored bad PDB record found on line 147427  
ATOM 4302a HWS SOL W7107 -38.461 -73.325 47.340 1.00 0.00 H  
  
Ignored bad PDB record found on line 147428  
ATOM 4302c OWS SOL W7108 -78.591 -56.369 28.434 1.00 0.00 O  
  
Ignored bad PDB record found on line 147429  
ATOM 4302e HWS SOL W7108 -79.221 -56.532 29.136 1.00 0.00 H  
  
Duplicate atom serial number found: 43030  
Duplicate atom serial number found: 43032  
Duplicate atom serial number found: 43034  
Duplicate atom serial number found: 43036  
Ignored bad PDB record found on line 147434  
ATOM 43038 OWS SOL W710a -41.415 -58.801 42.914 1.00 0.00 O  
  
Ignored bad PDB record found on line 147435  
ATOM 4303a HWS SOL W710a -41.970 -59.258 43.545 1.00 0.00 H  
  
Ignored bad PDB record found on line 147436  
ATOM 4303c HWS SOL W710a -41.229 -59.454 42.240 1.00 0.00 H  
  
Ignored bad PDB record found on line 147437  
ATOM 4303e OWS SOL W710b -81.500 -79.110 65.910 1.00 0.00 O  
  
Ignored bad PDB record found on line 147438  
ATOM 43040 HWS SOL W710b -81.983 -79.078 66.736 1.00 0.00 H  
  
15 messages similar to the above omitted  
Duplicate atom serial number found: 43060  
Duplicate atom serial number found: 43062  
Duplicate atom serial number found: 43064  
Duplicate atom serial number found: 43066  
Duplicate atom serial number found: 43068  
Ignored bad PDB record found on line 147459  
ATOM 4306a HWS SOL W7112 -48.011 -75.942 60.827 1.00 0.00 H  
  
Ignored bad PDB record found on line 147460  
ATOM 4306c HWS SOL W7112 -48.492 -76.478 62.158 1.00 0.00 H  
  
Ignored bad PDB record found on line 147461  
ATOM 4306e OWS SOL W7113 -45.765 -54.469 39.718 1.00 0.00 O  
  
Duplicate atom serial number found: 43070  
Duplicate atom serial number found: 43072  
Duplicate atom serial number found: 43074  
Duplicate atom serial number found: 43076  
Duplicate atom serial number found: 43078  
Ignored bad PDB record found on line 147467  
ATOM 4307a OWS SOL W7115 -66.187 -64.663 61.526 1.00 0.00 O  
  
Ignored bad PDB record found on line 147468  
ATOM 4307c HWS SOL W7115 -66.687 -64.942 60.758 1.00 0.00 H  
  
Ignored bad PDB record found on line 147469  
ATOM 4307e HWS SOL W7115 -65.955 -63.753 61.343 1.00 0.00 H  
  
Duplicate atom serial number found: 43080  
Duplicate atom serial number found: 43082  
Duplicate atom serial number found: 43084  
Duplicate atom serial number found: 43086  
Duplicate atom serial number found: 43088  
Ignored bad PDB record found on line 147475  
ATOM 4308a HWS SOL W7117 -64.409 -64.278 68.141 1.00 0.00 H  
  
Ignored bad PDB record found on line 147476  
ATOM 4308c OWS SOL W7118 -45.178 -49.334 64.981 1.00 0.00 O  
  
Ignored bad PDB record found on line 147477  
ATOM 4308e HWS SOL W7118 -44.345 -49.579 64.579 1.00 0.00 H  
  
Duplicate atom serial number found: 43090  
Duplicate atom serial number found: 43092  
Duplicate atom serial number found: 43094  
Duplicate atom serial number found: 43096  
Ignored bad PDB record found on line 147482  
ATOM 43098 OWS SOL W711a -50.042 -48.157 81.716 1.00 0.00 O  
  
Ignored bad PDB record found on line 147483  
ATOM 4309a HWS SOL W711a -50.016 -47.226 81.937 1.00 0.00 H  
  
Ignored bad PDB record found on line 147484  
ATOM 4309c HWS SOL W711a -50.624 -48.543 82.371 1.00 0.00 H  
  
Ignored bad PDB record found on line 147485  
ATOM 4309e OWS SOL W711b -59.078 -40.545 65.143 1.00 0.00 O  
  
Ignored bad PDB record found on line 147486  
ATOM 430a0 HWS SOL W711b -59.746 -40.945 65.700 1.00 0.00 H  
  
63 messages similar to the above omitted  
Duplicate atom serial number found: 43120  
Duplicate atom serial number found: 43122  
Duplicate atom serial number found: 43124  
Duplicate atom serial number found: 43126  
Duplicate atom serial number found: 43128  
Ignored bad PDB record found on line 147555  
ATOM 4312a HWS SOL W7132 -53.970 -72.469 77.383 1.00 0.00 H  
  
Ignored bad PDB record found on line 147556  
ATOM 4312c HWS SOL W7132 -54.925 -72.661 76.223 1.00 0.00 H  
  
Ignored bad PDB record found on line 147557  
ATOM 4312e OWS SOL W7133 -40.280 -70.814 43.968 1.00 0.00 O  
  
Duplicate atom serial number found: 43130  
Duplicate atom serial number found: 43132  
Duplicate atom serial number found: 43134  
Duplicate atom serial number found: 43136  
Duplicate atom serial number found: 43138  
Ignored bad PDB record found on line 147563  
ATOM 4313a OWS SOL W7135 -59.878 -46.332 66.840 1.00 0.00 O  
  
Ignored bad PDB record found on line 147564  
ATOM 4313c HWS SOL W7135 -59.512 -47.216 66.837 1.00 0.00 H  
  
Ignored bad PDB record found on line 147565  
ATOM 4313e HWS SOL W7135 -60.695 -46.408 66.347 1.00 0.00 H  
  
Duplicate atom serial number found: 43140  
Duplicate atom serial number found: 43142  
Duplicate atom serial number found: 43144  
Duplicate atom serial number found: 43146  
Duplicate atom serial number found: 43148  
Ignored bad PDB record found on line 147571  
ATOM 4314a HWS SOL W7137 -65.621 -46.921 40.778 1.00 0.00 H  
  
Ignored bad PDB record found on line 147572  
ATOM 4314c OWS SOL W7138 -71.523 -85.862 70.190 1.00 0.00 O  
  
Ignored bad PDB record found on line 147573  
ATOM 4314e HWS SOL W7138 -71.760 -86.341 70.985 1.00 0.00 H  
  
Duplicate atom serial number found: 43150  
Duplicate atom serial number found: 43152  
Duplicate atom serial number found: 43154  
Duplicate atom serial number found: 43156  
Ignored bad PDB record found on line 147578  
ATOM 43158 OWS SOL W713a -50.617 -75.866 71.932 1.00 0.00 O  
  
Ignored bad PDB record found on line 147579  
ATOM 4315a HWS SOL W713a -49.803 -75.375 71.824 1.00 0.00 H  
  
Ignored bad PDB record found on line 147580  
ATOM 4315c HWS SOL W713a -50.627 -76.115 72.856 1.00 0.00 H  
  
Ignored bad PDB record found on line 147581  
ATOM 4315e OWS SOL W713b -50.047 -50.890 54.224 1.00 0.00 O  
  
Ignored bad PDB record found on line 147582  
ATOM 43160 HWS SOL W713b -50.523 -50.064 54.306 1.00 0.00 H  
  
15 messages similar to the above omitted  
Duplicate atom serial number found: 43180  
Duplicate atom serial number found: 43182  
Duplicate atom serial number found: 43184  
Duplicate atom serial number found: 43186  
Duplicate atom serial number found: 43188  
Ignored bad PDB record found on line 147603  
ATOM 4318a HWS SOL W7142 -51.752 -74.982 41.995 1.00 0.00 H  
  
Ignored bad PDB record found on line 147604  
ATOM 4318c HWS SOL W7142 -50.855 -73.779 41.792 1.00 0.00 H  
  
Ignored bad PDB record found on line 147605  
ATOM 4318e OWS SOL W7143 -31.503 -56.585 51.976 1.00 0.00 O  
  
Duplicate atom serial number found: 43190  
Duplicate atom serial number found: 43192  
Duplicate atom serial number found: 43194  
Duplicate atom serial number found: 43196  
Duplicate atom serial number found: 43198  
Ignored bad PDB record found on line 147611  
ATOM 4319a OWS SOL W7145 -53.485 -61.274 43.242 1.00 0.00 O  
  
Ignored bad PDB record found on line 147612  
ATOM 4319c HWS SOL W7145 -52.877 -61.265 42.502 1.00 0.00 H  
  
Ignored bad PDB record found on line 147613  
ATOM 4319e HWS SOL W7145 -54.352 -61.209 42.841 1.00 0.00 H  
  
Ignored bad PDB record found on line 147614  
ATOM 431a0 OWS SOL W7146 -74.798 -56.789 43.597 1.00 0.00 O  
  
Ignored bad PDB record found on line 147615  
ATOM 431a2 HWS SOL W7146 -74.203 -56.187 44.044 1.00 0.00 H  
  
46 messages similar to the above omitted  
Duplicate atom serial number found: 43200  
Duplicate atom serial number found: 43202  
Duplicate atom serial number found: 43204  
Duplicate atom serial number found: 43206  
Duplicate atom serial number found: 43208  
Ignored bad PDB record found on line 147667  
ATOM 4320a HWS SOL W7157 -52.251 -43.208 72.452 1.00 0.00 H  
  
Ignored bad PDB record found on line 147668  
ATOM 4320c OWS SOL W7158 -57.468 -53.590 81.115 1.00 0.00 O  
  
Ignored bad PDB record found on line 147669  
ATOM 4320e HWS SOL W7158 -58.201 -53.249 81.627 1.00 0.00 H  
  
Duplicate atom serial number found: 43210  
Duplicate atom serial number found: 43212  
Duplicate atom serial number found: 43214  
Duplicate atom serial number found: 43216  
Ignored bad PDB record found on line 147674  
ATOM 43218 OWS SOL W715a -56.711 -49.456 54.822 1.00 0.00 O  
  
Ignored bad PDB record found on line 147675  
ATOM 4321a HWS SOL W715a -56.427 -48.977 55.600 1.00 0.00 H  
  
Ignored bad PDB record found on line 147676  
ATOM 4321c HWS SOL W715a -57.558 -49.069 54.598 1.00 0.00 H  
  
Ignored bad PDB record found on line 147677  
ATOM 4321e OWS SOL W715b -65.467 -47.425 65.646 1.00 0.00 O  
  
Ignored bad PDB record found on line 147678  
ATOM 43220 HWS SOL W715b -65.320 -47.196 66.564 1.00 0.00 H  
  
15 messages similar to the above omitted  
Duplicate atom serial number found: 43240  
Duplicate atom serial number found: 43242  
Duplicate atom serial number found: 43244  
Duplicate atom serial number found: 43246  
Duplicate atom serial number found: 43248  
Ignored bad PDB record found on line 147699  
ATOM 4324a HWS SOL W7162 -79.011 -60.938 57.394 1.00 0.00 H  
  
Ignored bad PDB record found on line 147700  
ATOM 4324c HWS SOL W7162 -78.626 -59.498 57.658 1.00 0.00 H  
  
Ignored bad PDB record found on line 147701  
ATOM 4324e OWS SOL W7163 -62.506 -49.781 34.337 1.00 0.00 O  
  
Duplicate atom serial number found: 43250  
Duplicate atom serial number found: 43252  
Duplicate atom serial number found: 43254  
Duplicate atom serial number found: 43256  
Duplicate atom serial number found: 43258  
Ignored bad PDB record found on line 147707  
ATOM 4325a OWS SOL W7165 -69.185 -36.296 81.446 1.00 0.00 O  
  
Ignored bad PDB record found on line 147708  
ATOM 4325c HWS SOL W7165 -69.111 -37.145 81.011 1.00 0.00 H  
  
Ignored bad PDB record found on line 147709  
ATOM 4325e HWS SOL W7165 -68.388 -35.828 81.197 1.00 0.00 H  
  
Duplicate atom serial number found: 43260  
Duplicate atom serial number found: 43262  
Duplicate atom serial number found: 43264  
Duplicate atom serial number found: 43266  
Duplicate atom serial number found: 43268  
Ignored bad PDB record found on line 147715  
ATOM 4326a HWS SOL W7167 -62.193 -50.007 47.740 1.00 0.00 H  
  
Ignored bad PDB record found on line 147716  
ATOM 4326c OWS SOL W7168 -52.693 -83.008 50.761 1.00 0.00 O  
  
Ignored bad PDB record found on line 147717  
ATOM 4326e HWS SOL W7168 -52.255 -83.277 51.569 1.00 0.00 H  
  
Duplicate atom serial number found: 43270  
Duplicate atom serial number found: 43272  
Duplicate atom serial number found: 43274  
Duplicate atom serial number found: 43276  
Ignored bad PDB record found on line 147722  
ATOM 43278 OWS SOL W716a -51.321 -64.518 69.821 1.00 0.00 O  
  
Ignored bad PDB record found on line 147723  
ATOM 4327a HWS SOL W716a -52.140 -64.025 69.866 1.00 0.00 H  
  
Ignored bad PDB record found on line 147724  
ATOM 4327c HWS SOL W716a -51.436 -65.233 70.447 1.00 0.00 H  
  
Ignored bad PDB record found on line 147725  
ATOM 4327e OWS SOL W716b -53.083 -38.936 50.720 1.00 0.00 O  
  
Ignored bad PDB record found on line 147726  
ATOM 43280 HWS SOL W716b -52.906 -39.877 50.727 1.00 0.00 H  
  
63 messages similar to the above omitted  
Duplicate atom serial number found: 43300  
Duplicate atom serial number found: 43302  
Duplicate atom serial number found: 43304  
Duplicate atom serial number found: 43306  
Duplicate atom serial number found: 43308  
Ignored bad PDB record found on line 147795  
ATOM 4330a HWS SOL W7182 -43.135 -58.631 52.133 1.00 0.00 H  
  
Ignored bad PDB record found on line 147796  
ATOM 4330c HWS SOL W7182 -44.560 -58.902 51.699 1.00 0.00 H  
  
Ignored bad PDB record found on line 147797  
ATOM 4330e OWS SOL W7183 -69.192 -32.597 32.695 1.00 0.00 O  
  
Duplicate atom serial number found: 43310  
Duplicate atom serial number found: 43312  
Duplicate atom serial number found: 43314  
Duplicate atom serial number found: 43316  
Duplicate atom serial number found: 43318  
Ignored bad PDB record found on line 147803  
ATOM 4331a OWS SOL W7185 -72.380 -67.091 72.367 1.00 0.00 O  
  
Ignored bad PDB record found on line 147804  
ATOM 4331c HWS SOL W7185 -71.445 -66.919 72.474 1.00 0.00 H  
  
Ignored bad PDB record found on line 147805  
ATOM 4331e HWS SOL W7185 -72.618 -66.629 71.563 1.00 0.00 H  
  
Duplicate atom serial number found: 43320  
Duplicate atom serial number found: 43322  
Duplicate atom serial number found: 43324  
Duplicate atom serial number found: 43326  
Duplicate atom serial number found: 43328  
Ignored bad PDB record found on line 147811  
ATOM 4332a HWS SOL W7187 -45.065 -58.468 55.543 1.00 0.00 H  
  
Ignored bad PDB record found on line 147812  
ATOM 4332c OWS SOL W7188 -48.896 -41.029 74.473 1.00 0.00 O  
  
Ignored bad PDB record found on line 147813  
ATOM 4332e HWS SOL W7188 -49.107 -41.958 74.568 1.00 0.00 H  
  
Duplicate atom serial number found: 43330  
Duplicate atom serial number found: 43332  
Duplicate atom serial number found: 43334  
Duplicate atom serial number found: 43336  
Ignored bad PDB record found on line 147818  
ATOM 43338 OWS SOL W718a -51.901 -68.189 65.403 1.00 0.00 O  
  
Ignored bad PDB record found on line 147819  
ATOM 4333a HWS SOL W718a -51.651 -67.276 65.260 1.00 0.00 H  
  
Ignored bad PDB record found on line 147820  
ATOM 4333c HWS SOL W718a -51.994 -68.552 64.522 1.00 0.00 H  
  
Ignored bad PDB record found on line 147821  
ATOM 4333e OWS SOL W718b -59.067 -51.719 63.693 1.00 0.00 O  
  
Ignored bad PDB record found on line 147822  
ATOM 43340 HWS SOL W718b -58.413 -51.179 64.138 1.00 0.00 H  
  
15 messages similar to the above omitted  
Duplicate atom serial number found: 43360  
Duplicate atom serial number found: 43362  
Duplicate atom serial number found: 43364  
Duplicate atom serial number found: 43366  
Duplicate atom serial number found: 43368  
Ignored bad PDB record found on line 147843  
ATOM 4336a HWS SOL W7192 -44.008 -67.527 29.373 1.00 0.00 H  
  
Ignored bad PDB record found on line 147844  
ATOM 4336c HWS SOL W7192 -44.073 -66.986 27.960 1.00 0.00 H  
  
Ignored bad PDB record found on line 147845  
ATOM 4336e OWS SOL W7193 -77.228 -46.307 55.814 1.00 0.00 O  
  
Duplicate atom serial number found: 43370  
Duplicate atom serial number found: 43372  
Duplicate atom serial number found: 43374  
Duplicate atom serial number found: 43376  
Duplicate atom serial number found: 43378  
Ignored bad PDB record found on line 147851  
ATOM 4337a OWS SOL W7195 -43.323 -33.129 60.202 1.00 0.00 O  
  
Ignored bad PDB record found on line 147852  
ATOM 4337c HWS SOL W7195 -43.244 -34.083 60.172 1.00 0.00 H  
  
Ignored bad PDB record found on line 147853  
ATOM 4337e HWS SOL W7195 -42.684 -32.815 59.562 1.00 0.00 H  
  
Duplicate atom serial number found: 43380  
Duplicate atom serial number found: 43382  
Duplicate atom serial number found: 43384  
Duplicate atom serial number found: 43386  
Duplicate atom serial number found: 43388  
Ignored bad PDB record found on line 147859  
ATOM 4338a HWS SOL W7197 -51.962 -61.552 87.170 1.00 0.00 H  
  
Ignored bad PDB record found on line 147860  
ATOM 4338c OWS SOL W7198 -43.234 -61.308 68.738 1.00 0.00 O  
  
Ignored bad PDB record found on line 147861  
ATOM 4338e HWS SOL W7198 -44.091 -61.634 69.013 1.00 0.00 H  
  
Duplicate atom serial number found: 43390  
Duplicate atom serial number found: 43392  
Duplicate atom serial number found: 43394  
Duplicate atom serial number found: 43396  
Ignored bad PDB record found on line 147866  
ATOM 43398 OWS SOL W719a -48.098 -65.808 47.676 1.00 0.00 O  
  
Ignored bad PDB record found on line 147867  
ATOM 4339a HWS SOL W719a -47.944 -66.653 48.100 1.00 0.00 H  
  
Ignored bad PDB record found on line 147868  
ATOM 4339c HWS SOL W719a -48.852 -65.442 48.137 1.00 0.00 H  
  
Ignored bad PDB record found on line 147869  
ATOM 4339e OWS SOL W719b 87.868 -44.953 69.485 1.00 0.00 O  
  
Ignored bad PDB record found on line 147870  
ATOM 433a0 HWS SOL W719b 88.535 -44.269 69.431 1.00 0.00 H  
  
303 messages similar to the above omitted  
Duplicate atom serial number found: 43600  
Duplicate atom serial number found: 43602  
Duplicate atom serial number found: 43604  
Duplicate atom serial number found: 43606  
Duplicate atom serial number found: 43608  
Ignored bad PDB record found on line 148179  
ATOM 4360a HWS SOL W7202 -63.485 -53.145 49.765 1.00 0.00 H  
  
Ignored bad PDB record found on line 148180  
ATOM 4360c HWS SOL W7202 -64.684 -53.936 50.244 1.00 0.00 H  
  
Ignored bad PDB record found on line 148181  
ATOM 4360e OWS SOL W7203 -61.571 85.699 65.996 1.00 0.00 O  
  
Duplicate atom serial number found: 43610  
Duplicate atom serial number found: 43612  
Duplicate atom serial number found: 43614  
Duplicate atom serial number found: 43616  
Duplicate atom serial number found: 43618  
Ignored bad PDB record found on line 148187  
ATOM 4361a OWS SOL W7205 -36.150 -41.855 63.412 1.00 0.00 O  
  
Ignored bad PDB record found on line 148188  
ATOM 4361c HWS SOL W7205 -37.055 -41.986 63.695 1.00 0.00 H  
  
Ignored bad PDB record found on line 148189  
ATOM 4361e HWS SOL W7205 -36.005 -40.913 63.501 1.00 0.00 H  
  
Duplicate atom serial number found: 43620  
Duplicate atom serial number found: 43622  
Duplicate atom serial number found: 43624  
Duplicate atom serial number found: 43626  
Duplicate atom serial number found: 43628  
Ignored bad PDB record found on line 148195  
ATOM 4362a HWS SOL W7207 -42.189 -47.631 46.853 1.00 0.00 H  
  
Ignored bad PDB record found on line 148196  
ATOM 4362c OWS SOL W7208 -59.620 -71.727 48.092 1.00 0.00 O  
  
Ignored bad PDB record found on line 148197  
ATOM 4362e HWS SOL W7208 -60.102 -70.911 47.958 1.00 0.00 H  
  
Duplicate atom serial number found: 43630  
Duplicate atom serial number found: 43632  
Duplicate atom serial number found: 43634  
Duplicate atom serial number found: 43636  
Ignored bad PDB record found on line 148202  
ATOM 43638 OWS SOL W720a -54.027 -52.899 50.260 1.00 0.00 O  
  
Ignored bad PDB record found on line 148203  
ATOM 4363a HWS SOL W720a -53.244 -52.351 50.308 1.00 0.00 H  
  
Ignored bad PDB record found on line 148204  
ATOM 4363c HWS SOL W720a -54.286 -52.868 49.340 1.00 0.00 H  
  
Ignored bad PDB record found on line 148205  
ATOM 4363e OWS SOL W720b -36.071 -74.724 44.266 1.00 0.00 O  
  
Ignored bad PDB record found on line 148206  
ATOM 43640 HWS SOL W720b -35.633 -74.303 43.526 1.00 0.00 H  
  
15 messages similar to the above omitted  
Duplicate atom serial number found: 43660  
Duplicate atom serial number found: 43662  
Duplicate atom serial number found: 43664  
Duplicate atom serial number found: 43666  
Duplicate atom serial number found: 43668  
Ignored bad PDB record found on line 148227  
ATOM 4366a HWS SOL W7212 -47.013 -72.475 43.078 1.00 0.00 H  
  
Ignored bad PDB record found on line 148228  
ATOM 4366c HWS SOL W7212 -46.349 -72.155 44.401 1.00 0.00 H  
  
Ignored bad PDB record found on line 148229  
ATOM 4366e OWS SOL W7213 -46.937 -42.393 38.482 1.00 0.00 O  
  
Duplicate atom serial number found: 43670  
Duplicate atom serial number found: 43672  
Duplicate atom serial number found: 43674  
Duplicate atom serial number found: 43676  
Duplicate atom serial number found: 43678  
Ignored bad PDB record found on line 148235  
ATOM 4367a OWS SOL W7215 -76.999 -38.756 85.582 1.00 0.00 O  
  
Ignored bad PDB record found on line 148236  
ATOM 4367c HWS SOL W7215 -76.588 -39.249 86.292 1.00 0.00 H  
  
Ignored bad PDB record found on line 148237  
ATOM 4367e HWS SOL W7215 -77.304 -39.425 84.970 1.00 0.00 H  
  
Duplicate atom serial number found: 43680  
Duplicate atom serial number found: 43682  
Duplicate atom serial number found: 43684  
Duplicate atom serial number found: 43686  
Duplicate atom serial number found: 43688  
Ignored bad PDB record found on line 148243  
ATOM 4368a HWS SOL W7217 -29.721 -52.295 72.578 1.00 0.00 H  
  
Ignored bad PDB record found on line 148244  
ATOM 4368c OWS SOL W7218 -68.556 -68.177 52.754 1.00 0.00 O  
  
Ignored bad PDB record found on line 148245  
ATOM 4368e HWS SOL W7218 -67.682 -68.420 52.450 1.00 0.00 H  
  
Duplicate atom serial number found: 43690  
Duplicate atom serial number found: 43692  
Duplicate atom serial number found: 43694  
Duplicate atom serial number found: 43696  
Ignored bad PDB record found on line 148250  
ATOM 43698 OWS SOL W721a -65.779 -68.247 61.126 1.00 0.00 O  
  
Ignored bad PDB record found on line 148251  
ATOM 4369a HWS SOL W721a -66.569 -67.919 60.697 1.00 0.00 H  
  
Ignored bad PDB record found on line 148252  
ATOM 4369c HWS SOL W721a -65.792 -69.190 60.964 1.00 0.00 H  
  
Ignored bad PDB record found on line 148253  
ATOM 4369e OWS SOL W721b -58.924 -50.179 61.376 1.00 0.00 O  
  
Ignored bad PDB record found on line 148254  
ATOM 436a0 HWS SOL W721b -58.441 -49.631 60.756 1.00 0.00 H  
  
63 messages similar to the above omitted  
Duplicate atom serial number found: 43720  
Duplicate atom serial number found: 43722  
Duplicate atom serial number found: 43724  
Duplicate atom serial number found: 43726  
Duplicate atom serial number found: 43728  
Ignored bad PDB record found on line 148323  
ATOM 4372a HWS SOL W7232 -68.510 88.758 37.106 1.00 0.00 H  
  
Ignored bad PDB record found on line 148324  
ATOM 4372c HWS SOL W7232 -67.681 89.952 37.531 1.00 0.00 H  
  
Ignored bad PDB record found on line 148325  
ATOM 4372e OWS SOL W7233 -18.094 -73.358 57.090 1.00 0.00 O  
  
Duplicate atom serial number found: 43730  
Duplicate atom serial number found: 43732  
Duplicate atom serial number found: 43734  
Duplicate atom serial number found: 43736  
Duplicate atom serial number found: 43738  
Ignored bad PDB record found on line 148331  
ATOM 4373a OWS SOL W7235 -80.088 -53.794 61.613 1.00 0.00 O  
  
Ignored bad PDB record found on line 148332  
ATOM 4373c HWS SOL W7235 -79.790 -54.126 62.460 1.00 0.00 H  
  
Ignored bad PDB record found on line 148333  
ATOM 4373e HWS SOL W7235 -80.660 -53.058 61.831 1.00 0.00 H  
  
Duplicate atom serial number found: 43740  
Duplicate atom serial number found: 43742  
Duplicate atom serial number found: 43744  
Duplicate atom serial number found: 43746  
Duplicate atom serial number found: 43748  
Ignored bad PDB record found on line 148339  
ATOM 4374a HWS SOL W7237 -67.656 -67.225 72.148 1.00 0.00 H  
  
Ignored bad PDB record found on line 148340  
ATOM 4374c OWS SOL W7238 -52.921 -27.167 65.760 1.00 0.00 O  
  
Ignored bad PDB record found on line 148341  
ATOM 4374e HWS SOL W7238 -53.813 -26.863 65.593 1.00 0.00 H  
  
Duplicate atom serial number found: 43750  
Duplicate atom serial number found: 43752  
Duplicate atom serial number found: 43754  
Duplicate atom serial number found: 43756  
Ignored bad PDB record found on line 148346  
ATOM 43758 OWS SOL W723a -67.335 -41.091 55.698 1.00 0.00 O  
  
Ignored bad PDB record found on line 148347  
ATOM 4375a HWS SOL W723a -67.468 -42.038 55.756 1.00 0.00 H  
  
Ignored bad PDB record found on line 148348  
ATOM 4375c HWS SOL W723a -68.104 -40.715 56.127 1.00 0.00 H  
  
Ignored bad PDB record found on line 148349  
ATOM 4375e OWS SOL W723b -59.521 -74.929 72.971 1.00 0.00 O  
  
Ignored bad PDB record found on line 148350  
ATOM 43760 HWS SOL W723b -60.165 -75.415 72.455 1.00 0.00 H  
  
15 messages similar to the above omitted  
Duplicate atom serial number found: 43780  
Duplicate atom serial number found: 43782  
Duplicate atom serial number found: 43784  
Duplicate atom serial number found: 43786  
Duplicate atom serial number found: 43788  
Ignored bad PDB record found on line 148371  
ATOM 4378a HWS SOL W7242 -37.743 -41.272 58.745 1.00 0.00 H  
  
Ignored bad PDB record found on line 148372  
ATOM 4378c HWS SOL W7242 -37.610 -42.688 58.227 1.00 0.00 H  
  
Ignored bad PDB record found on line 148373  
ATOM 4378e OWS SOL W7243 -74.112 -69.374 54.750 1.00 0.00 O  
  
Duplicate atom serial number found: 43790  
Duplicate atom serial number found: 43792  
Duplicate atom serial number found: 43794  
Duplicate atom serial number found: 43796  
Duplicate atom serial number found: 43798  
Ignored bad PDB record found on line 148379  
ATOM 4379a OWS SOL W7245 -50.037 -72.167 69.946 1.00 0.00 O  
  
Ignored bad PDB record found on line 148380  
ATOM 4379c HWS SOL W7245 -49.408 -72.806 70.283 1.00 0.00 H  
  
Ignored bad PDB record found on line 148381  
ATOM 4379e HWS SOL W7245 -50.152 -71.543 70.663 1.00 0.00 H  
  
Ignored bad PDB record found on line 148382  
ATOM 437a0 OWS SOL W7246 -55.887 -34.544 54.700 1.00 0.00 O  
  
Ignored bad PDB record found on line 148383  
ATOM 437a2 HWS SOL W7246 -56.359 -34.975 55.413 1.00 0.00 H  
  
46 messages similar to the above omitted  
Duplicate atom serial number found: 43800  
Duplicate atom serial number found: 43802  
Duplicate atom serial number found: 43804  
Duplicate atom serial number found: 43806  
Duplicate atom serial number found: 43808  
Ignored bad PDB record found on line 148435  
ATOM 4380a HWS SOL W7258 -69.714 -58.745 74.336 1.00 0.00 H  
  
Ignored bad PDB record found on line 148436  
ATOM 4380c OWS SOL W7259 -72.032 -54.626 53.506 1.00 0.00 O  
  
Ignored bad PDB record found on line 148437  
ATOM 4380e HWS SOL W7259 -72.216 -54.737 52.574 1.00 0.00 H  
  
Duplicate atom serial number found: 43810  
Ignored bad PDB record found on line 148439  
ATOM 43812 OWS SOL W725a -48.528 -60.849 41.990 1.00 0.00 O  
  
Ignored bad PDB record found on line 148440  
ATOM 43814 HWS SOL W725a -47.631 -61.154 41.858 1.00 0.00 H  
  
Ignored bad PDB record found on line 148441  
ATOM 43816 HWS SOL W725a -48.435 -59.932 42.250 1.00 0.00 H  
  
Ignored bad PDB record found on line 148442  
ATOM 43818 OWS SOL W725b -75.419 -47.397 41.597 1.00 0.00 O  
  
Ignored bad PDB record found on line 148443  
ATOM 4381a HWS SOL W725b -74.862 -46.619 41.624 1.00 0.00 H  
  
13 messages similar to the above omitted  
Duplicate atom serial number found: 43836  
Duplicate atom serial number found: 43838  
Ignored bad PDB record found on line 148459  
ATOM 4383a HWS SOL W7260 -54.020 -56.427 61.301 1.00 0.00 H  
  
Ignored bad PDB record found on line 148460  
ATOM 4383c OWS SOL W7261 -56.833 -35.320 60.850 1.00 0.00 O  
  
Ignored bad PDB record found on line 148461  
ATOM 4383e HWS SOL W7261 -57.569 -35.640 60.328 1.00 0.00 H  
  
Duplicate atom serial number found: 43840  
Duplicate atom serial number found: 43842  
Duplicate atom serial number found: 43844  
Duplicate atom serial number found: 43846  
Duplicate atom serial number found: 43848  
Ignored bad PDB record found on line 148467  
ATOM 4384a HWS SOL W7263 -54.227 -81.679 64.841 1.00 0.00 H  
  
Ignored bad PDB record found on line 148468  
ATOM 4384c HWS SOL W7263 -53.150 -80.922 65.589 1.00 0.00 H  
  
Ignored bad PDB record found on line 148469  
ATOM 4384e OWS SOL W7264 -63.129 -51.961 70.672 1.00 0.00 O  
  
Duplicate atom serial number found: 43850  
Duplicate atom serial number found: 43852  
Duplicate atom serial number found: 43854  
Duplicate atom serial number found: 43856  
Duplicate atom serial number found: 43858  
Ignored bad PDB record found on line 148475  
ATOM 4385a OWS SOL W7267 -14.972 -51.286 65.474 1.00 0.00 O  
  
Ignored bad PDB record found on line 148476  
ATOM 4385c HWS SOL W7267 -15.307 -51.906 66.121 1.00 0.00 H  
  
Ignored bad PDB record found on line 148477  
ATOM 4385e HWS SOL W7267 -15.569 -50.539 65.526 1.00 0.00 H  
  
Duplicate atom serial number found: 43860  
Duplicate atom serial number found: 43862  
Duplicate atom serial number found: 43864  
Duplicate atom serial number found: 43866  
Duplicate atom serial number found: 43868  
Ignored bad PDB record found on line 148483  
ATOM 4386a HWS SOL W7269 -55.517 -53.745 41.434 1.00 0.00 H  
  
Ignored bad PDB record found on line 148484  
ATOM 4386c OWS SOL W726a -42.838 -51.922 62.962 1.00 0.00 O  
  
Ignored bad PDB record found on line 148485  
ATOM 4386e HWS SOL W726a -42.914 -52.616 63.616 1.00 0.00 H  
  
Ignored bad PDB record found on line 148486  
ATOM 43870 HWS SOL W726a -42.004 -51.496 63.159 1.00 0.00 H  
  
Ignored bad PDB record found on line 148487  
ATOM 43872 OWS SOL W726b -50.451 -44.106 70.735 1.00 0.00 O  
  
14 messages similar to the above omitted  
Duplicate atom serial number found: 43890  
Duplicate atom serial number found: 43892  
Duplicate atom serial number found: 43894  
Duplicate atom serial number found: 43896  
Duplicate atom serial number found: 43898  
Ignored bad PDB record found on line 148507  
ATOM 4389a HWS SOL W7271 -41.106 -63.557 52.389 1.00 0.00 H  
  
Ignored bad PDB record found on line 148508  
ATOM 4389c OWS SOL W7272 -42.999 -63.785 54.894 1.00 0.00 O  
  
Ignored bad PDB record found on line 148509  
ATOM 4389e HWS SOL W7272 -43.367 -62.965 55.224 1.00 0.00 H  
  
Ignored bad PDB record found on line 148510  
ATOM 438a0 HWS SOL W7272 -42.500 -63.529 54.119 1.00 0.00 H  
  
Ignored bad PDB record found on line 148511  
ATOM 438a2 OWS SOL W7273 -43.129 -44.598 52.632 1.00 0.00 O  
  
46 messages similar to the above omitted  
Duplicate atom serial number found: 43900  
Duplicate atom serial number found: 43902  
Duplicate atom serial number found: 43904  
Duplicate atom serial number found: 43906  
Duplicate atom serial number found: 43908  
Ignored bad PDB record found on line 148563  
ATOM 4390a HWS SOL W7284 -35.156 -42.921 56.930 1.00 0.00 H  
  
Ignored bad PDB record found on line 148564  
ATOM 4390c HWS SOL W7284 -36.062 -43.823 56.120 1.00 0.00 H  
  
Ignored bad PDB record found on line 148565  
ATOM 4390e OWS SOL W7285 -68.653 -45.719 58.232 1.00 0.00 O  
  
Duplicate atom serial number found: 43910  
Duplicate atom serial number found: 43912  
Duplicate atom serial number found: 43914  
Duplicate atom serial number found: 43916  
Duplicate atom serial number found: 43918  
Ignored bad PDB record found on line 148571  
ATOM 4391a OWS SOL W7287 -52.669 -48.193 61.613 1.00 0.00 O  
  
Ignored bad PDB record found on line 148572  
ATOM 4391c HWS SOL W7287 -53.610 -48.156 61.789 1.00 0.00 H  
  
Ignored bad PDB record found on line 148573  
ATOM 4391e HWS SOL W7287 -52.511 -47.475 61.001 1.00 0.00 H  
  
Duplicate atom serial number found: 43920  
Duplicate atom serial number found: 43922  
Duplicate atom serial number found: 43924  
Duplicate atom serial number found: 43926  
Duplicate atom serial number found: 43928  
Ignored bad PDB record found on line 148579  
ATOM 4392a HWS SOL W7289 -62.561 -86.996 37.326 1.00 0.00 H  
  
Ignored bad PDB record found on line 148580  
ATOM 4392c OWS SOL W728a -51.453 -39.373 59.456 1.00 0.00 O  
  
Ignored bad PDB record found on line 148581  
ATOM 4392e HWS SOL W728a -51.546 -39.148 60.382 1.00 0.00 H  
  
Ignored bad PDB record found on line 148582  
ATOM 43930 HWS SOL W728a -52.331 -39.638 59.183 1.00 0.00 H  
  
Ignored bad PDB record found on line 148583  
ATOM 43932 OWS SOL W728b -70.377 -70.837 51.732 1.00 0.00 O  
  
14 messages similar to the above omitted  
Duplicate atom serial number found: 43950  
Duplicate atom serial number found: 43952  
Duplicate atom serial number found: 43954  
Duplicate atom serial number found: 43956  
Duplicate atom serial number found: 43958  
Ignored bad PDB record found on line 148603  
ATOM 4395a HWS SOL W7291 -54.779 -51.669 62.243 1.00 0.00 H  
  
Ignored bad PDB record found on line 148604  
ATOM 4395c OWS SOL W7292 -48.353 -74.793 72.600 1.00 0.00 O  
  
Ignored bad PDB record found on line 148605  
ATOM 4395e HWS SOL W7292 -47.965 -75.114 73.414 1.00 0.00 H  
  
Duplicate atom serial number found: 43960  
Duplicate atom serial number found: 43962  
Duplicate atom serial number found: 43964  
Duplicate atom serial number found: 43966  
Duplicate atom serial number found: 43968  
Ignored bad PDB record found on line 148611  
ATOM 4396a HWS SOL W7294 -57.101 -37.517 54.834 1.00 0.00 H  
  
Ignored bad PDB record found on line 148612  
ATOM 4396c HWS SOL W7294 -58.091 -38.542 54.323 1.00 0.00 H  
  
Ignored bad PDB record found on line 148613  
ATOM 4396e OWS SOL W7295 -46.491 -29.499 68.891 1.00 0.00 O  
  
Duplicate atom serial number found: 43970  
Duplicate atom serial number found: 43972  
Duplicate atom serial number found: 43974  
Duplicate atom serial number found: 43976  
Duplicate atom serial number found: 43978  
Ignored bad PDB record found on line 148619  
ATOM 4397a OWS SOL W7297 -67.869 -55.365 58.005 1.00 0.00 O  
  
Ignored bad PDB record found on line 148620  
ATOM 4397c HWS SOL W7297 -67.140 -54.803 57.744 1.00 0.00 H  
  
Ignored bad PDB record found on line 148621  
ATOM 4397e HWS SOL W7297 -67.453 -56.151 58.358 1.00 0.00 H  
  
Duplicate atom serial number found: 43980  
Duplicate atom serial number found: 43982  
Duplicate atom serial number found: 43984  
Duplicate atom serial number found: 43986  
Duplicate atom serial number found: 43988  
Ignored bad PDB record found on line 148627  
ATOM 4398a HWS SOL W7299 -67.874 -67.318 45.534 1.00 0.00 H  
  
Ignored bad PDB record found on line 148628  
ATOM 4398c OWS SOL W729a -70.355 -50.610 46.456 1.00 0.00 O  
  
Ignored bad PDB record found on line 148629  
ATOM 4398e HWS SOL W729a -70.562 -50.434 47.373 1.00 0.00 H  
  
Ignored bad PDB record found on line 148630  
ATOM 43990 HWS SOL W729a -70.205 -51.555 46.420 1.00 0.00 H  
  
Ignored bad PDB record found on line 148631  
ATOM 43992 OWS SOL W729b -50.663 -58.252 33.868 1.00 0.00 O  
  
1078 messages similar to the above omitted  
Duplicate atom serial number found: 44200  
Duplicate atom serial number found: 44202  
Duplicate atom serial number found: 44204  
Duplicate atom serial number found: 44206  
Duplicate atom serial number found: 44208  
Ignored bad PDB record found on line 149715  
ATOM 4420a HWS SOL W7406 -47.120 -61.356 86.384 1.00 0.00 H  
  
Ignored bad PDB record found on line 149716  
ATOM 4420c HWS SOL W7406 -46.457 -62.607 86.919 1.00 0.00 H  
  
Ignored bad PDB record found on line 149717  
ATOM 4420e OWS SOL W7407 -82.163 -44.824 -78.630 1.00 0.00 O  
  
Duplicate atom serial number found: 44210  
Duplicate atom serial number found: 44212  
Duplicate atom serial number found: 44214  
Duplicate atom serial number found: 44216  
Duplicate atom serial number found: 44218  
Ignored bad PDB record found on line 149723  
ATOM 4421a OWS SOL W7409 -83.793 -52.800 -85.200 1.00 0.00 O  
  
Ignored bad PDB record found on line 149724  
ATOM 4421c HWS SOL W7409 -84.669 -52.452 -85.361 1.00 0.00 H  
  
Ignored bad PDB record found on line 149725  
ATOM 4421e HWS SOL W7409 -83.420 -52.925 -86.072 1.00 0.00 H  
  
Ignored bad PDB record found on line 149726  
ATOM 44220 OWS SOL W740a -52.113 -30.539 -86.282 1.00 0.00 O  
  
Ignored bad PDB record found on line 149727  
ATOM 44222 HWS SOL W740a -52.320 -29.944 -85.562 1.00 0.00 H  
  
16 messages similar to the above omitted  
Duplicate atom serial number found: 44244  
Duplicate atom serial number found: 44246  
Duplicate atom serial number found: 44248  
Ignored bad PDB record found on line 149747  
ATOM 4424a OWS SOL W7411 -70.354 -73.722 89.620 1.00 0.00 O  
  
Ignored bad PDB record found on line 149748  
ATOM 4424c HWS SOL W7411 -71.004 -74.414 89.735 1.00 0.00 H  
  
Ignored bad PDB record found on line 149749  
ATOM 4424e HWS SOL W7411 -70.559 -73.340 88.766 1.00 0.00 H  
  
Duplicate atom serial number found: 44250  
Duplicate atom serial number found: 44252  
Duplicate atom serial number found: 44254  
Duplicate atom serial number found: 44256  
Duplicate atom serial number found: 44258  
Ignored bad PDB record found on line 149755  
ATOM 4425a HWS SOL W7413 -54.381 -54.783 69.380 1.00 0.00 H  
  
Ignored bad PDB record found on line 149756  
ATOM 4425c OWS SOL W7414 -55.886 -51.807 78.737 1.00 0.00 O  
  
Ignored bad PDB record found on line 149757  
ATOM 4425e HWS SOL W7414 -56.056 -51.880 79.677 1.00 0.00 H  
  
Duplicate atom serial number found: 44260  
Duplicate atom serial number found: 44262  
Duplicate atom serial number found: 44264  
Duplicate atom serial number found: 44266  
Duplicate atom serial number found: 44268  
Ignored bad PDB record found on line 149763  
ATOM 4426a HWS SOL W7416 -31.981 -34.405 78.666 1.00 0.00 H  
  
Ignored bad PDB record found on line 149764  
ATOM 4426c HWS SOL W7416 -33.032 -34.445 77.577 1.00 0.00 H  
  
Ignored bad PDB record found on line 149765  
ATOM 4426e OWS SOL W7417 -48.250 -78.096 57.466 1.00 0.00 O  
  
Duplicate atom serial number found: 44270  
Duplicate atom serial number found: 44272  
Duplicate atom serial number found: 44274  
Duplicate atom serial number found: 44276  
Duplicate atom serial number found: 44278  
Ignored bad PDB record found on line 149771  
ATOM 4427a OWS SOL W7419 -65.556 -70.718 69.676 1.00 0.00 O  
  
Ignored bad PDB record found on line 149772  
ATOM 4427c HWS SOL W7419 -65.791 -71.283 68.940 1.00 0.00 H  
  
Ignored bad PDB record found on line 149773  
ATOM 4427e HWS SOL W7419 -66.382 -70.567 70.136 1.00 0.00 H  
  
Ignored bad PDB record found on line 149774  
ATOM 44280 OWS SOL W741a -70.981 -52.348 -86.591 1.00 0.00 O  
  
Ignored bad PDB record found on line 149775  
ATOM 44282 HWS SOL W741a -71.840 -52.233 -86.998 1.00 0.00 H  
  
64 messages similar to the above omitted  
Duplicate atom serial number found: 44304  
Duplicate atom serial number found: 44306  
Duplicate atom serial number found: 44308  
Ignored bad PDB record found on line 149843  
ATOM 4430a OWS SOL W7431 -47.491 -64.352 82.125 1.00 0.00 O  
  
Ignored bad PDB record found on line 149844  
ATOM 4430c HWS SOL W7431 -46.567 -64.305 81.883 1.00 0.00 H  
  
Ignored bad PDB record found on line 149845  
ATOM 4430e HWS SOL W7431 -47.485 -64.569 83.057 1.00 0.00 H  
  
Duplicate atom serial number found: 44310  
Duplicate atom serial number found: 44312  
Duplicate atom serial number found: 44314  
Duplicate atom serial number found: 44316  
Duplicate atom serial number found: 44318  
Ignored bad PDB record found on line 149851  
ATOM 4431a HWS SOL W7433 -46.763 -39.877 73.852 1.00 0.00 H  
  
Ignored bad PDB record found on line 149852  
ATOM 4431c OWS SOL W7434 -53.190 -81.844 -78.708 1.00 0.00 O  
  
Ignored bad PDB record found on line 149853  
ATOM 4431e HWS SOL W7434 -54.017 -81.789 -79.186 1.00 0.00 H  
  
Duplicate atom serial number found: 44320  
Duplicate atom serial number found: 44322  
Duplicate atom serial number found: 44324  
Duplicate atom serial number found: 44326  
Duplicate atom serial number found: 44328  
Ignored bad PDB record found on line 149859  
ATOM 4432a HWS SOL W7436 -62.526 -55.068 85.193 1.00 0.00 H  
  
Ignored bad PDB record found on line 149860  
ATOM 4432c HWS SOL W7436 -63.324 -54.001 85.911 1.00 0.00 H  
  
Ignored bad PDB record found on line 149861  
ATOM 4432e OWS SOL W7437 -47.925 -58.597 86.187 1.00 0.00 O  
  
Duplicate atom serial number found: 44330  
Duplicate atom serial number found: 44332  
Duplicate atom serial number found: 44334  
Duplicate atom serial number found: 44336  
Duplicate atom serial number found: 44338  
Ignored bad PDB record found on line 149867  
ATOM 4433a OWS SOL W7439 -68.157 -41.415 50.222 1.00 0.00 O  
  
Ignored bad PDB record found on line 149868  
ATOM 4433c HWS SOL W7439 -67.378 -41.925 50.445 1.00 0.00 H  
  
Ignored bad PDB record found on line 149869  
ATOM 4433e HWS SOL W7439 -68.481 -41.091 51.062 1.00 0.00 H  
  
Ignored bad PDB record found on line 149870  
ATOM 44340 OWS SOL W743a -44.322 -50.856 77.272 1.00 0.00 O  
  
Ignored bad PDB record found on line 149871  
ATOM 44342 HWS SOL W743a -43.498 -51.343 77.269 1.00 0.00 H  
  
16 messages similar to the above omitted  
Duplicate atom serial number found: 44364  
Duplicate atom serial number found: 44366  
Duplicate atom serial number found: 44368  
Ignored bad PDB record found on line 149891  
ATOM 4436a OWS SOL W7441 -29.078 -34.965 -79.668 1.00 0.00 O  
  
Ignored bad PDB record found on line 149892  
ATOM 4436c HWS SOL W7441 -28.559 -34.187 -79.462 1.00 0.00 H  
  
Ignored bad PDB record found on line 149893  
ATOM 4436e HWS SOL W7441 -28.602 -35.686 -79.257 1.00 0.00 H  
  
Duplicate atom serial number found: 44370  
Duplicate atom serial number found: 44372  
Duplicate atom serial number found: 44374  
Duplicate atom serial number found: 44376  
Duplicate atom serial number found: 44378  
Ignored bad PDB record found on line 149899  
ATOM 4437a HWS SOL W7443 -23.752 -57.469 -87.474 1.00 0.00 H  
  
Ignored bad PDB record found on line 149900  
ATOM 4437c OWS SOL W7444 -61.742 -39.968 80.752 1.00 0.00 O  
  
Ignored bad PDB record found on line 149901  
ATOM 4437e HWS SOL W7444 -61.331 -39.535 81.500 1.00 0.00 H  
  
Duplicate atom serial number found: 44380  
Duplicate atom serial number found: 44382  
Duplicate atom serial number found: 44384  
Duplicate atom serial number found: 44386  
Duplicate atom serial number found: 44388  
Ignored bad PDB record found on line 149907  
ATOM 4438a HWS SOL W7446 -48.039 -38.896 88.089 1.00 0.00 H  
  
Ignored bad PDB record found on line 149908  
ATOM 4438c HWS SOL W7446 -49.483 -39.253 87.807 1.00 0.00 H  
  
Ignored bad PDB record found on line 149909  
ATOM 4438e OWS SOL W7447 -62.672 -81.912 67.650 1.00 0.00 O  
  
Duplicate atom serial number found: 44390  
Duplicate atom serial number found: 44392  
Duplicate atom serial number found: 44394  
Duplicate atom serial number found: 44396  
Duplicate atom serial number found: 44398  
Ignored bad PDB record found on line 149915  
ATOM 4439a OWS SOL W7449 -52.296 -25.529 -75.275 1.00 0.00 O  
  
Ignored bad PDB record found on line 149916  
ATOM 4439c HWS SOL W7449 -52.948 -26.151 -75.598 1.00 0.00 H  
  
Ignored bad PDB record found on line 149917  
ATOM 4439e HWS SOL W7449 -51.800 -26.019 -74.619 1.00 0.00 H  
  
Ignored bad PDB record found on line 149918  
ATOM 443a0 OWS SOL W744a -69.372 -42.179 66.687 1.00 0.00 O  
  
Ignored bad PDB record found on line 149919  
ATOM 443a2 HWS SOL W744a -69.023 -42.389 67.553 1.00 0.00 H  
  
62 messages similar to the above omitted  
Duplicate atom serial number found: 44420  
Duplicate atom serial number found: 44422  
Duplicate atom serial number found: 44424  
Duplicate atom serial number found: 44426  
Duplicate atom serial number found: 44428  
Ignored bad PDB record found on line 149987  
ATOM 4442a OWS SOL W7462 -65.277 -42.687 67.234 1.00 0.00 O  
  
Ignored bad PDB record found on line 149988  
ATOM 4442c HWS SOL W7462 -65.925 -42.125 66.810 1.00 0.00 H  
  
Ignored bad PDB record found on line 149989  
ATOM 4442e HWS SOL W7462 -65.039 -43.327 66.564 1.00 0.00 H  
  
Duplicate atom serial number found: 44430  
Duplicate atom serial number found: 44432  
Duplicate atom serial number found: 44434  
Duplicate atom serial number found: 44436  
Duplicate atom serial number found: 44438  
Ignored bad PDB record found on line 149995  
ATOM 4443a HWS SOL W7464 -44.765 -63.539 52.952 1.00 0.00 H  
  
Ignored bad PDB record found on line 149996  
ATOM 4443c OWS SOL W7465 -42.288 -61.362 79.440 1.00 0.00 O  
  
Ignored bad PDB record found on line 149997  
ATOM 4443e HWS SOL W7465 -41.702 -60.709 79.821 1.00 0.00 H  
  
Duplicate atom serial number found: 44440  
Duplicate atom serial number found: 44442  
Duplicate atom serial number found: 44444  
Duplicate atom serial number found: 44446  
Duplicate atom serial number found: 44448  
Ignored bad PDB record found on line 150003  
ATOM 4444a HWS SOL W7467 -52.221 -58.553 79.199 1.00 0.00 H  
  
Ignored bad PDB record found on line 150004  
ATOM 4444c HWS SOL W7467 -51.345 -58.124 80.356 1.00 0.00 H  
  
Ignored bad PDB record found on line 150005  
ATOM 4444e OWS SOL W7468 -71.627 -52.119 -82.419 1.00 0.00 O  
  
Duplicate atom serial number found: 44450  
Duplicate atom serial number found: 44452  
Duplicate atom serial number found: 44454  
Duplicate atom serial number found: 44456  
Duplicate atom serial number found: 44458  
Ignored bad PDB record found on line 150011  
ATOM 4445a OWS SOL W746a -70.615 -52.877 80.699 1.00 0.00 O  
  
Ignored bad PDB record found on line 150012  
ATOM 4445c HWS SOL W746a -71.347 -52.268 80.606 1.00 0.00 H  
  
Ignored bad PDB record found on line 150013  
ATOM 4445e HWS SOL W746a -70.094 -52.750 79.906 1.00 0.00 H  
  
Ignored bad PDB record found on line 150014  
ATOM 44460 OWS SOL W746b -58.753 -49.388 70.804 1.00 0.00 O  
  
Ignored bad PDB record found on line 150015  
ATOM 44462 HWS SOL W746b -59.063 -48.607 70.346 1.00 0.00 H  
  
14 messages similar to the above omitted  
Duplicate atom serial number found: 44480  
Duplicate atom serial number found: 44482  
Duplicate atom serial number found: 44484  
Duplicate atom serial number found: 44486  
Duplicate atom serial number found: 44488  
Ignored bad PDB record found on line 150035  
ATOM 4448a OWS SOL W7472 -77.553 -63.226 61.451 1.00 0.00 O  
  
Ignored bad PDB record found on line 150036  
ATOM 4448c HWS SOL W7472 -76.916 -62.529 61.607 1.00 0.00 H  
  
Ignored bad PDB record found on line 150037  
ATOM 4448e HWS SOL W7472 -77.182 -63.993 61.887 1.00 0.00 H  
  
Duplicate atom serial number found: 44490  
Duplicate atom serial number found: 44492  
Duplicate atom serial number found: 44494  
Duplicate atom serial number found: 44496  
Duplicate atom serial number found: 44498  
Ignored bad PDB record found on line 150043  
ATOM 4449a HWS SOL W7474 -56.157 -52.512 74.499 1.00 0.00 H  
  
Ignored bad PDB record found on line 150044  
ATOM 4449c OWS SOL W7475 -83.093 -46.182 56.240 1.00 0.00 O  
  
Ignored bad PDB record found on line 150045  
ATOM 4449e HWS SOL W7475 -83.538 -46.538 57.009 1.00 0.00 H  
  
Ignored bad PDB record found on line 150046  
ATOM 444a0 HWS SOL W7475 -82.260 -46.652 56.205 1.00 0.00 H  
  
Ignored bad PDB record found on line 150047  
ATOM 444a2 OWS SOL W7476 -37.054 -44.401 87.876 1.00 0.00 O  
  
46 messages similar to the above omitted  
Duplicate atom serial number found: 44500  
Duplicate atom serial number found: 44502  
Duplicate atom serial number found: 44504  
Duplicate atom serial number found: 44506  
Duplicate atom serial number found: 44508  
Ignored bad PDB record found on line 150099  
ATOM 4450a HWS SOL W7487 -44.462 -56.141 78.531 1.00 0.00 H  
  
Ignored bad PDB record found on line 150100  
ATOM 4450c HWS SOL W7487 -43.989 -56.023 79.964 1.00 0.00 H  
  
Ignored bad PDB record found on line 150101  
ATOM 4450e OWS SOL W7488 -83.881 -55.610 -76.755 1.00 0.00 O  
  
Duplicate atom serial number found: 44510  
Duplicate atom serial number found: 44512  
Duplicate atom serial number found: 44514  
Duplicate atom serial number found: 44516  
Duplicate atom serial number found: 44518  
Ignored bad PDB record found on line 150107  
ATOM 4451a OWS SOL W748a -59.496 -60.062 79.790 1.00 0.00 O  
  
Ignored bad PDB record found on line 150108  
ATOM 4451c HWS SOL W748a -59.827 -60.660 80.460 1.00 0.00 H  
  
Ignored bad PDB record found on line 150109  
ATOM 4451e HWS SOL W748a -60.262 -59.556 79.520 1.00 0.00 H  
  
Ignored bad PDB record found on line 150110  
ATOM 44520 OWS SOL W748b -36.676 -20.222 -72.961 1.00 0.00 O  
  
Ignored bad PDB record found on line 150111  
ATOM 44522 HWS SOL W748b -35.818 -20.446 -73.321 1.00 0.00 H  
  
14 messages similar to the above omitted  
Duplicate atom serial number found: 44540  
Duplicate atom serial number found: 44542  
Duplicate atom serial number found: 44544  
Duplicate atom serial number found: 44546  
Duplicate atom serial number found: 44548  
Ignored bad PDB record found on line 150131  
ATOM 4454a OWS SOL W7492 -61.639 -58.347 79.507 1.00 0.00 O  
  
Ignored bad PDB record found on line 150132  
ATOM 4454c HWS SOL W7492 -62.121 -57.632 79.922 1.00 0.00 H  
  
Ignored bad PDB record found on line 150133  
ATOM 4454e HWS SOL W7492 -61.535 -58.070 78.597 1.00 0.00 H  
  
Duplicate atom serial number found: 44550  
Duplicate atom serial number found: 44552  
Duplicate atom serial number found: 44554  
Duplicate atom serial number found: 44556  
Duplicate atom serial number found: 44558  
Ignored bad PDB record found on line 150139  
ATOM 4455a HWS SOL W7494 -51.090 -33.346 85.469 1.00 0.00 H  
  
Ignored bad PDB record found on line 150140  
ATOM 4455c OWS SOL W7495 -57.762 -56.902 57.922 1.00 0.00 O  
  
Ignored bad PDB record found on line 150141  
ATOM 4455e HWS SOL W7495 -57.933 -55.988 58.147 1.00 0.00 H  
  
Duplicate atom serial number found: 44560  
Duplicate atom serial number found: 44562  
Duplicate atom serial number found: 44564  
Duplicate atom serial number found: 44566  
Duplicate atom serial number found: 44568  
Ignored bad PDB record found on line 150147  
ATOM 4456a HWS SOL W7497 -57.010 -61.522 74.293 1.00 0.00 H  
  
Ignored bad PDB record found on line 150148  
ATOM 4456c HWS SOL W7497 -58.306 -61.568 75.073 1.00 0.00 H  
  
Ignored bad PDB record found on line 150149  
ATOM 4456e OWS SOL W7498 -58.465 -69.842 78.023 1.00 0.00 O  
  
Duplicate atom serial number found: 44570  
Duplicate atom serial number found: 44572  
Duplicate atom serial number found: 44574  
Duplicate atom serial number found: 44576  
Duplicate atom serial number found: 44578  
Ignored bad PDB record found on line 150155  
ATOM 4457a OWS SOL W749a -55.861 -76.377 63.201 1.00 0.00 O  
  
Ignored bad PDB record found on line 150156  
ATOM 4457c HWS SOL W749a -55.841 -77.330 63.285 1.00 0.00 H  
  
Ignored bad PDB record found on line 150157  
ATOM 4457e HWS SOL W749a -55.026 -76.155 62.789 1.00 0.00 H  
  
Ignored bad PDB record found on line 150158  
ATOM 44580 OWS SOL W749b -25.084 -41.848 74.863 1.00 0.00 O  
  
Ignored bad PDB record found on line 150159  
ATOM 44582 HWS SOL W749b -25.313 -42.483 74.184 1.00 0.00 H  
  
318 messages similar to the above omitted  
Duplicate atom serial number found: 44800  
Duplicate atom serial number found: 44802  
Duplicate atom serial number found: 44804  
Duplicate atom serial number found: 44806  
Duplicate atom serial number found: 44808  
Ignored bad PDB record found on line 150483  
ATOM 4480a HWS SOL W7507 -35.434 -64.004 79.318 1.00 0.00 H  
  
Ignored bad PDB record found on line 150484  
ATOM 4480c HWS SOL W7507 -34.325 -65.019 79.493 1.00 0.00 H  
  
Ignored bad PDB record found on line 150485  
ATOM 4480e OWS SOL W7508 -48.193 -63.797 -85.159 1.00 0.00 O  
  
Duplicate atom serial number found: 44810  
Duplicate atom serial number found: 44812  
Duplicate atom serial number found: 44814  
Duplicate atom serial number found: 44816  
Duplicate atom serial number found: 44818  
Ignored bad PDB record found on line 150491  
ATOM 4481a OWS SOL W750a -45.346 -41.715 75.997 1.00 0.00 O  
  
Ignored bad PDB record found on line 150492  
ATOM 4481c HWS SOL W750a -45.873 -41.890 76.777 1.00 0.00 H  
  
Ignored bad PDB record found on line 150493  
ATOM 4481e HWS SOL W750a -44.492 -41.450 76.338 1.00 0.00 H  
  
Ignored bad PDB record found on line 150494  
ATOM 44820 OWS SOL W750b -62.823 -78.756 69.998 1.00 0.00 O  
  
Ignored bad PDB record found on line 150495  
ATOM 44822 HWS SOL W750b -62.111 -79.387 69.898 1.00 0.00 H  
  
14 messages similar to the above omitted  
Duplicate atom serial number found: 44840  
Duplicate atom serial number found: 44842  
Duplicate atom serial number found: 44844  
Duplicate atom serial number found: 44846  
Duplicate atom serial number found: 44848  
Ignored bad PDB record found on line 150515  
ATOM 4484a OWS SOL W7512 -68.507 -62.421 -80.718 1.00 0.00 O  
  
Ignored bad PDB record found on line 150516  
ATOM 4484c HWS SOL W7512 -67.989 -61.907 -81.338 1.00 0.00 H  
  
Ignored bad PDB record found on line 150517  
ATOM 4484e HWS SOL W7512 -69.298 -62.657 -81.203 1.00 0.00 H  
  
Duplicate atom serial number found: 44850  
Duplicate atom serial number found: 44852  
Duplicate atom serial number found: 44854  
Duplicate atom serial number found: 44856  
Duplicate atom serial number found: 44858  
Ignored bad PDB record found on line 150523  
ATOM 4485a HWS SOL W7514 -54.967 -68.941 62.378 1.00 0.00 H  
  
Ignored bad PDB record found on line 150524  
ATOM 4485c OWS SOL W7515 -71.365 -72.307 78.850 1.00 0.00 O  
  
Ignored bad PDB record found on line 150525  
ATOM 4485e HWS SOL W7515 -70.559 -72.802 78.999 1.00 0.00 H  
  
Duplicate atom serial number found: 44860  
Duplicate atom serial number found: 44862  
Duplicate atom serial number found: 44864  
Duplicate atom serial number found: 44866  
Duplicate atom serial number found: 44868  
Ignored bad PDB record found on line 150531  
ATOM 4486a HWS SOL W7517 -41.746 -44.860 76.377 1.00 0.00 H  
  
Ignored bad PDB record found on line 150532  
ATOM 4486c HWS SOL W7517 -43.123 -44.723 75.764 1.00 0.00 H  
  
Ignored bad PDB record found on line 150533  
ATOM 4486e OWS SOL W7518 -62.808 -12.591 84.700 1.00 0.00 O  
  
Duplicate atom serial number found: 44870  
Duplicate atom serial number found: 44872  
Duplicate atom serial number found: 44874  
Duplicate atom serial number found: 44876  
Duplicate atom serial number found: 44878  
Ignored bad PDB record found on line 150539  
ATOM 4487a OWS SOL W751a -88.767 -66.016 86.533 1.00 0.00 O  
  
Ignored bad PDB record found on line 150540  
ATOM 4487c HWS SOL W751a -88.502 -66.890 86.818 1.00 0.00 H  
  
Ignored bad PDB record found on line 150541  
ATOM 4487e HWS SOL W751a -87.948 -65.526 86.465 1.00 0.00 H  
  
Ignored bad PDB record found on line 150542  
ATOM 44880 OWS SOL W751b -58.902 -62.405 88.336 1.00 0.00 O  
  
Ignored bad PDB record found on line 150543  
ATOM 44882 HWS SOL W751b -58.693 -63.235 88.764 1.00 0.00 H  
  
62 messages similar to the above omitted  
Duplicate atom serial number found: 44900  
Duplicate atom serial number found: 44902  
Duplicate atom serial number found: 44904  
Duplicate atom serial number found: 44906  
Duplicate atom serial number found: 44908  
Ignored bad PDB record found on line 150611  
ATOM 4490a OWS SOL W7532 89.037 -43.077 81.877 1.00 0.00 O  
  
Ignored bad PDB record found on line 150612  
ATOM 4490c HWS SOL W7532 89.608 -42.933 81.122 1.00 0.00 H  
  
Ignored bad PDB record found on line 150613  
ATOM 4490e HWS SOL W7532 89.432 -43.816 82.339 1.00 0.00 H  
  
Duplicate atom serial number found: 44910  
Duplicate atom serial number found: 44912  
Duplicate atom serial number found: 44914  
Duplicate atom serial number found: 44916  
Duplicate atom serial number found: 44918  
Ignored bad PDB record found on line 150619  
ATOM 4491a HWS SOL W7534 -76.464 -63.257 82.993 1.00 0.00 H  
  
Ignored bad PDB record found on line 150620  
ATOM 4491c OWS SOL W7535 -40.240 -33.676 -77.836 1.00 0.00 O  
  
Ignored bad PDB record found on line 150621  
ATOM 4491e HWS SOL W7535 -40.910 -34.109 -78.365 1.00 0.00 H  
  
Duplicate atom serial number found: 44920  
Duplicate atom serial number found: 44922  
Duplicate atom serial number found: 44924  
Duplicate atom serial number found: 44926  
Duplicate atom serial number found: 44928  
Ignored bad PDB record found on line 150627  
ATOM 4492a HWS SOL W7537 -51.311 -79.032 -81.347 1.00 0.00 H  
  
Ignored bad PDB record found on line 150628  
ATOM 4492c HWS SOL W7537 -51.332 -79.122 -79.836 1.00 0.00 H  
  
Ignored bad PDB record found on line 150629  
ATOM 4492e OWS SOL W7538 -59.292 -47.045 86.167 1.00 0.00 O  
  
Duplicate atom serial number found: 44930  
Duplicate atom serial number found: 44932  
Duplicate atom serial number found: 44934  
Duplicate atom serial number found: 44936  
Duplicate atom serial number found: 44938  
Ignored bad PDB record found on line 150635  
ATOM 4493a OWS SOL W753a -55.232 -62.740 85.113 1.00 0.00 O  
  
Ignored bad PDB record found on line 150636  
ATOM 4493c HWS SOL W753a -54.391 -62.880 85.550 1.00 0.00 H  
  
Ignored bad PDB record found on line 150637  
ATOM 4493e HWS SOL W753a -55.576 -61.938 85.507 1.00 0.00 H  
  
Ignored bad PDB record found on line 150638  
ATOM 44940 OWS SOL W753b -79.640 -53.962 82.667 1.00 0.00 O  
  
Ignored bad PDB record found on line 150639  
ATOM 44942 HWS SOL W753b -79.991 -53.087 82.503 1.00 0.00 H  
  
14 messages similar to the above omitted  
Duplicate atom serial number found: 44960  
Duplicate atom serial number found: 44962  
Duplicate atom serial number found: 44964  
Duplicate atom serial number found: 44966  
Duplicate atom serial number found: 44968  
Ignored bad PDB record found on line 150659  
ATOM 4496a OWS SOL W7542 -76.958 -75.503 62.227 1.00 0.00 O  
  
Ignored bad PDB record found on line 150660  
ATOM 4496c HWS SOL W7542 -76.894 -74.783 62.854 1.00 0.00 H  
  
Ignored bad PDB record found on line 150661  
ATOM 4496e HWS SOL W7542 -77.897 -75.594 62.061 1.00 0.00 H  
  
Duplicate atom serial number found: 44970  
Duplicate atom serial number found: 44972  
Duplicate atom serial number found: 44974  
Duplicate atom serial number found: 44976  
Duplicate atom serial number found: 44978  
Ignored bad PDB record found on line 150667  
ATOM 4497a HWS SOL W7544 -52.590 -56.187 85.243 1.00 0.00 H  
  
Ignored bad PDB record found on line 150668  
ATOM 4497c OWS SOL W7545 -60.068 -65.016 79.660 1.00 0.00 O  
  
Ignored bad PDB record found on line 150669  
ATOM 4497e HWS SOL W7545 -60.189 -64.366 80.352 1.00 0.00 H  
  
Duplicate atom serial number found: 44980  
Duplicate atom serial number found: 44982  
Duplicate atom serial number found: 44984  
Duplicate atom serial number found: 44986  
Duplicate atom serial number found: 44988  
Ignored bad PDB record found on line 150675  
ATOM 4498a HWS SOL W7547 -73.494 -58.557 -84.000 1.00 0.00 H  
  
Ignored bad PDB record found on line 150676  
ATOM 4498c HWS SOL W7547 -72.237 -57.777 -84.325 1.00 0.00 H  
  
Ignored bad PDB record found on line 150677  
ATOM 4498e OWS SOL W7548 -39.698 -44.980 87.997 1.00 0.00 O  
  
Duplicate atom serial number found: 44990  
Duplicate atom serial number found: 44992  
Duplicate atom serial number found: 44994  
Duplicate atom serial number found: 44996  
Duplicate atom serial number found: 44998  
Ignored bad PDB record found on line 150683  
ATOM 4499a OWS SOL W754a -61.054 -82.442 89.553 1.00 0.00 O  
  
Ignored bad PDB record found on line 150684  
ATOM 4499c HWS SOL W754a -60.380 -82.881 89.033 1.00 0.00 H  
  
Ignored bad PDB record found on line 150685  
ATOM 4499e HWS SOL W754a -61.247 -81.640 89.068 1.00 0.00 H  
  
Ignored bad PDB record found on line 150686  
ATOM 449a0 OWS SOL W754b -58.234 -70.111 75.024 1.00 0.00 O  
  
Ignored bad PDB record found on line 150687  
ATOM 449a2 HWS SOL W754b -58.656 -70.391 75.836 1.00 0.00 H  
  
823 messages similar to the above omitted  
Duplicate atom serial number found: 45012  
Duplicate atom serial number found: 45014  
Duplicate atom serial number found: 45016  
Duplicate atom serial number found: 45018  
Ignored bad PDB record found on line 151515  
ATOM 4501a HWS SOL W7661 -46.252 -33.150 -62.540 1.00 0.00 H  
  
Ignored bad PDB record found on line 151516  
ATOM 4501c HWS SOL W7661 -46.281 -34.078 -63.736 1.00 0.00 H  
  
Ignored bad PDB record found on line 151517  
ATOM 4501e OWS SOL W7662 -43.686 -30.931 -73.679 1.00 0.00 O  
  
Duplicate atom serial number found: 45020  
Duplicate atom serial number found: 45022  
Duplicate atom serial number found: 45024  
Duplicate atom serial number found: 45026  
Duplicate atom serial number found: 45028  
Ignored bad PDB record found on line 151523  
ATOM 4502a OWS SOL W7664 -40.741 -23.876 -86.466 1.00 0.00 O  
  
Ignored bad PDB record found on line 151524  
ATOM 4502c HWS SOL W7664 -40.060 -24.548 -86.430 1.00 0.00 H  
  
Ignored bad PDB record found on line 151525  
ATOM 4502e HWS SOL W7664 -40.527 -23.279 -85.749 1.00 0.00 H  
  
Duplicate atom serial number found: 45030  
Duplicate atom serial number found: 45032  
Duplicate atom serial number found: 45034  
Duplicate atom serial number found: 45036  
Duplicate atom serial number found: 45038  
Ignored bad PDB record found on line 151531  
ATOM 4503a HWS SOL W7666 71.737 -44.368 65.233 1.00 0.00 H  
  
Ignored bad PDB record found on line 151532  
ATOM 4503c OWS SOL W7667 -61.536 -37.842 -81.892 1.00 0.00 O  
  
Ignored bad PDB record found on line 151533  
ATOM 4503e HWS SOL W7667 -62.438 -37.837 -82.213 1.00 0.00 H  
  
Duplicate atom serial number found: 45040  
Duplicate atom serial number found: 45042  
Duplicate atom serial number found: 45044  
Duplicate atom serial number found: 45046  
Duplicate atom serial number found: 45048  
Ignored bad PDB record found on line 151539  
ATOM 4504a HWS SOL W7669 -67.767 -28.117 -63.825 1.00 0.00 H  
  
Ignored bad PDB record found on line 151540  
ATOM 4504c HWS SOL W7669 -68.273 -26.708 -64.055 1.00 0.00 H  
  
Ignored bad PDB record found on line 151541  
ATOM 4504e OWS SOL W766a -71.018 -22.425 -85.405 1.00 0.00 O  
  
Ignored bad PDB record found on line 151542  
ATOM 45050 HWS SOL W766a -70.656 -21.582 -85.678 1.00 0.00 H  
  
Ignored bad PDB record found on line 151543  
ATOM 45052 HWS SOL W766a -71.952 -22.256 -85.279 1.00 0.00 H  
  
15 messages similar to the above omitted  
Duplicate atom serial number found: 45072  
Duplicate atom serial number found: 45074  
Duplicate atom serial number found: 45076  
Duplicate atom serial number found: 45078  
Ignored bad PDB record found on line 151563  
ATOM 4507a HWS SOL W7671 -47.864 -19.732 -71.469 1.00 0.00 H  
  
Ignored bad PDB record found on line 151564  
ATOM 4507c HWS SOL W7671 -46.683 -18.882 -71.890 1.00 0.00 H  
  
Ignored bad PDB record found on line 151565  
ATOM 4507e OWS SOL W7672 83.548 -38.000 -68.677 1.00 0.00 O  
  
Duplicate atom serial number found: 45080  
Duplicate atom serial number found: 45082  
Duplicate atom serial number found: 45084  
Duplicate atom serial number found: 45086  
Duplicate atom serial number found: 45088  
Ignored bad PDB record found on line 151571  
ATOM 4508a OWS SOL W7674 -41.798 -35.263 -85.907 1.00 0.00 O  
  
Ignored bad PDB record found on line 151572  
ATOM 4508c HWS SOL W7674 -41.765 -34.556 -85.263 1.00 0.00 H  
  
Ignored bad PDB record found on line 151573  
ATOM 4508e HWS SOL W7674 -42.637 -35.146 -86.351 1.00 0.00 H  
  
Duplicate atom serial number found: 45090  
Duplicate atom serial number found: 45092  
Duplicate atom serial number found: 45094  
Duplicate atom serial number found: 45096  
Duplicate atom serial number found: 45098  
Ignored bad PDB record found on line 151579  
ATOM 4509a HWS SOL W7676 -52.135 -45.687 89.809 1.00 0.00 H  
  
Ignored bad PDB record found on line 151580  
ATOM 4509c OWS SOL W7677 -70.180 -29.252 -86.746 1.00 0.00 O  
  
Ignored bad PDB record found on line 151581  
ATOM 4509e HWS SOL W7677 -70.332 -28.476 -86.207 1.00 0.00 H  
  
Ignored bad PDB record found on line 151582  
ATOM 450a0 HWS SOL W7677 -69.921 -28.905 -87.600 1.00 0.00 H  
  
Ignored bad PDB record found on line 151583  
ATOM 450a2 OWS SOL W7678 -56.945 -8.954 -81.270 1.00 0.00 O  
  
46 messages similar to the above omitted  
Duplicate atom serial number found: 45100  
Duplicate atom serial number found: 45102  
Duplicate atom serial number found: 45104  
Duplicate atom serial number found: 45106  
Duplicate atom serial number found: 45108  
Ignored bad PDB record found on line 151635  
ATOM 4510a HWS SOL W7689 -50.280 -36.307 -84.499 1.00 0.00 H  
  
Ignored bad PDB record found on line 151636  
ATOM 4510c HWS SOL W7689 -51.334 -36.479 -83.426 1.00 0.00 H  
  
Ignored bad PDB record found on line 151637  
ATOM 4510e OWS SOL W768a -61.442 -46.236 -76.484 1.00 0.00 O  
  
Ignored bad PDB record found on line 151638  
ATOM 45110 HWS SOL W768a -60.886 -47.013 -76.419 1.00 0.00 H  
  
Ignored bad PDB record found on line 151639  
ATOM 45112 HWS SOL W768a -62.326 -46.559 -76.310 1.00 0.00 H  
  
15 messages similar to the above omitted  
Duplicate atom serial number found: 45132  
Duplicate atom serial number found: 45134  
Duplicate atom serial number found: 45136  
Duplicate atom serial number found: 45138  
Ignored bad PDB record found on line 151659  
ATOM 4513a HWS SOL W7691 -73.576 1.872 -65.747 1.00 0.00 H  
  
Ignored bad PDB record found on line 151660  
ATOM 4513c HWS SOL W7691 -72.952 0.514 -65.502 1.00 0.00 H  
  
Ignored bad PDB record found on line 151661  
ATOM 4513e OWS SOL W7692 -59.450 -5.897 -78.304 1.00 0.00 O  
  
Duplicate atom serial number found: 45140  
Duplicate atom serial number found: 45142  
Duplicate atom serial number found: 45144  
Duplicate atom serial number found: 45146  
Duplicate atom serial number found: 45148  
Ignored bad PDB record found on line 151667  
ATOM 4514a OWS SOL W7694 -51.185 -49.644 -88.550 1.00 0.00 O  
  
Ignored bad PDB record found on line 151668  
ATOM 4514c HWS SOL W7694 -51.579 -49.571 -89.419 1.00 0.00 H  
  
Ignored bad PDB record found on line 151669  
ATOM 4514e HWS SOL W7694 -50.493 -48.983 -88.544 1.00 0.00 H  
  
Duplicate atom serial number found: 45150  
Duplicate atom serial number found: 45152  
Duplicate atom serial number found: 45154  
Duplicate atom serial number found: 45156  
Duplicate atom serial number found: 45158  
Ignored bad PDB record found on line 151675  
ATOM 4515a HWS SOL W7696 -35.930 -5.521 82.983 1.00 0.00 H  
  
Ignored bad PDB record found on line 151676  
ATOM 4515c OWS SOL W7697 -29.470 -36.361 -65.569 1.00 0.00 O  
  
Ignored bad PDB record found on line 151677  
ATOM 4515e HWS SOL W7697 -29.118 -37.196 -65.258 1.00 0.00 H  
  
Duplicate atom serial number found: 45160  
Duplicate atom serial number found: 45162  
Duplicate atom serial number found: 45164  
Duplicate atom serial number found: 45166  
Duplicate atom serial number found: 45168  
Ignored bad PDB record found on line 151683  
ATOM 4516a HWS SOL W7699 -59.778 -23.408 -75.581 1.00 0.00 H  
  
Ignored bad PDB record found on line 151684  
ATOM 4516c HWS SOL W7699 -60.853 -23.951 -74.665 1.00 0.00 H  
  
Ignored bad PDB record found on line 151685  
ATOM 4516e OWS SOL W769a -69.420 -43.477 -87.228 1.00 0.00 O  
  
Ignored bad PDB record found on line 151686  
ATOM 45170 HWS SOL W769a -69.829 -42.639 -87.446 1.00 0.00 H  
  
Ignored bad PDB record found on line 151687  
ATOM 45172 HWS SOL W769a -70.137 -44.013 -86.890 1.00 0.00 H  
  
326 messages similar to the above omitted  
Duplicate atom serial number found: 45400  
Duplicate atom serial number found: 45402  
Duplicate atom serial number found: 45404  
Duplicate atom serial number found: 45406  
Duplicate atom serial number found: 45408  
Ignored bad PDB record found on line 152019  
ATOM 4540a HWS SOL W7709 -47.999 -32.224 88.785 1.00 0.00 H  
  
Ignored bad PDB record found on line 152020  
ATOM 4540c HWS SOL W7709 -49.027 -33.312 88.561 1.00 0.00 H  
  
Ignored bad PDB record found on line 152021  
ATOM 4540e OWS SOL W770a -33.116 -28.222 -81.135 1.00 0.00 O  
  
Ignored bad PDB record found on line 152022  
ATOM 45410 HWS SOL W770a -33.535 -29.004 -81.494 1.00 0.00 H  
  
Ignored bad PDB record found on line 152023  
ATOM 45412 HWS SOL W770a -33.255 -28.287 -80.190 1.00 0.00 H  
  
15 messages similar to the above omitted  
Duplicate atom serial number found: 45432  
Duplicate atom serial number found: 45434  
Duplicate atom serial number found: 45436  
Duplicate atom serial number found: 45438  
Ignored bad PDB record found on line 152043  
ATOM 4543a HWS SOL W7711 -57.825 -17.646 82.844 1.00 0.00 H  
  
Ignored bad PDB record found on line 152044  
ATOM 4543c HWS SOL W7711 -57.432 -17.628 84.305 1.00 0.00 H  
  
Ignored bad PDB record found on line 152045  
ATOM 4543e OWS SOL W7712 -32.699 -15.028 -86.246 1.00 0.00 O  
  
Duplicate atom serial number found: 45440  
Duplicate atom serial number found: 45442  
Duplicate atom serial number found: 45444  
Duplicate atom serial number found: 45446  
Duplicate atom serial number found: 45448  
Ignored bad PDB record found on line 152051  
ATOM 4544a OWS SOL W7714 -47.476 -31.971 -75.132 1.00 0.00 O  
  
Ignored bad PDB record found on line 152052  
ATOM 4544c HWS SOL W7714 -47.405 -31.025 -75.011 1.00 0.00 H  
  
Ignored bad PDB record found on line 152053  
ATOM 4544e HWS SOL W7714 -47.449 -32.094 -76.081 1.00 0.00 H  
  
Duplicate atom serial number found: 45450  
Duplicate atom serial number found: 45452  
Duplicate atom serial number found: 45454  
Duplicate atom serial number found: 45456  
Duplicate atom serial number found: 45458  
Ignored bad PDB record found on line 152059  
ATOM 4545a HWS SOL W7716 -48.577 -13.366 -71.647 1.00 0.00 H  
  
Ignored bad PDB record found on line 152060  
ATOM 4545c OWS SOL W7717 -30.498 -42.035 -79.502 1.00 0.00 O  
  
Ignored bad PDB record found on line 152061  
ATOM 4545e HWS SOL W7717 -31.301 -41.805 -79.033 1.00 0.00 H  
  
Duplicate atom serial number found: 45460  
Duplicate atom serial number found: 45462  
Duplicate atom serial number found: 45464  
Duplicate atom serial number found: 45466  
Duplicate atom serial number found: 45468  
Ignored bad PDB record found on line 152067  
ATOM 4546a HWS SOL W7719 -52.454 -18.559 -56.884 1.00 0.00 H  
  
Ignored bad PDB record found on line 152068  
ATOM 4546c HWS SOL W7719 -52.444 -19.861 -56.112 1.00 0.00 H  
  
Ignored bad PDB record found on line 152069  
ATOM 4546e OWS SOL W771a -80.997 -24.471 -64.694 1.00 0.00 O  
  
Ignored bad PDB record found on line 152070  
ATOM 45470 HWS SOL W771a -81.621 -25.197 -64.709 1.00 0.00 H  
  
Ignored bad PDB record found on line 152071  
ATOM 45472 HWS SOL W771a -80.816 -24.329 -63.765 1.00 0.00 H  
  
15 messages similar to the above omitted  
Duplicate atom serial number found: 45492  
Duplicate atom serial number found: 45494  
Duplicate atom serial number found: 45496  
Duplicate atom serial number found: 45498  
Ignored bad PDB record found on line 152091  
ATOM 4549a HWS SOL W7721 -38.655 -26.271 -87.512 1.00 0.00 H  
  
Ignored bad PDB record found on line 152092  
ATOM 4549c HWS SOL W7721 -37.506 -25.408 -87.989 1.00 0.00 H  
  
Ignored bad PDB record found on line 152093  
ATOM 4549e OWS SOL W7722 -53.405 -44.493 72.192 1.00 0.00 O  
  
Ignored bad PDB record found on line 152094  
ATOM 454a0 HWS SOL W7722 -53.814 -45.353 72.087 1.00 0.00 H  
  
Ignored bad PDB record found on line 152095  
ATOM 454a2 HWS SOL W7722 -54.139 -43.878 72.197 1.00 0.00 H  
  
46 messages similar to the above omitted  
Duplicate atom serial number found: 45500  
Duplicate atom serial number found: 45502  
Duplicate atom serial number found: 45504  
Duplicate atom serial number found: 45506  
Duplicate atom serial number found: 45508  
Ignored bad PDB record found on line 152147  
ATOM 4550a OWS SOL W7734 -68.448 -12.776 74.404 1.00 0.00 O  
  
Ignored bad PDB record found on line 152148  
ATOM 4550c HWS SOL W7734 -68.047 -13.637 74.519 1.00 0.00 H  
  
Ignored bad PDB record found on line 152149  
ATOM 4550e HWS SOL W7734 -68.677 -12.740 73.475 1.00 0.00 H  
  
Duplicate atom serial number found: 45510  
Duplicate atom serial number found: 45512  
Duplicate atom serial number found: 45514  
Duplicate atom serial number found: 45516  
Duplicate atom serial number found: 45518  
Ignored bad PDB record found on line 152155  
ATOM 4551a HWS SOL W7736 -74.698 -36.763 -80.146 1.00 0.00 H  
  
Ignored bad PDB record found on line 152156  
ATOM 4551c OWS SOL W7737 -53.542 -25.587 -78.217 1.00 0.00 O  
  
Ignored bad PDB record found on line 152157  
ATOM 4551e HWS SOL W7737 -52.890 -26.013 -78.775 1.00 0.00 H  
  
Duplicate atom serial number found: 45520  
Duplicate atom serial number found: 45522  
Duplicate atom serial number found: 45524  
Duplicate atom serial number found: 45526  
Duplicate atom serial number found: 45528  
Ignored bad PDB record found on line 152163  
ATOM 4552a HWS SOL W7739 -86.369 -11.695 86.192 1.00 0.00 H  
  
Ignored bad PDB record found on line 152164  
ATOM 4552c HWS SOL W7739 -86.345 -11.725 84.679 1.00 0.00 H  
  
Ignored bad PDB record found on line 152165  
ATOM 4552e OWS SOL W773a -87.471 -12.688 -79.814 1.00 0.00 O  
  
Ignored bad PDB record found on line 152166  
ATOM 45530 HWS SOL W773a -87.332 -12.811 -78.875 1.00 0.00 H  
  
Ignored bad PDB record found on line 152167  
ATOM 45532 HWS SOL W773a -86.736 -13.141 -80.227 1.00 0.00 H  
  
15 messages similar to the above omitted  
Duplicate atom serial number found: 45552  
Duplicate atom serial number found: 45554  
Duplicate atom serial number found: 45556  
Duplicate atom serial number found: 45558  
Ignored bad PDB record found on line 152187  
ATOM 4555a HWS SOL W7741 -60.627 -23.928 -83.695 1.00 0.00 H  
  
Ignored bad PDB record found on line 152188  
ATOM 4555c HWS SOL W7741 -59.726 -24.883 -84.449 1.00 0.00 H  
  
Ignored bad PDB record found on line 152189  
ATOM 4555e OWS SOL W7742 -63.247 -34.094 -71.457 1.00 0.00 O  
  
Duplicate atom serial number found: 45560  
Duplicate atom serial number found: 45562  
Duplicate atom serial number found: 45564  
Duplicate atom serial number found: 45566  
Duplicate atom serial number found: 45568  
Ignored bad PDB record found on line 152195  
ATOM 4556a OWS SOL W7744 -59.973 -11.404 -84.521 1.00 0.00 O  
  
Ignored bad PDB record found on line 152196  
ATOM 4556c HWS SOL W7744 -60.563 -10.740 -84.877 1.00 0.00 H  
  
Ignored bad PDB record found on line 152197  
ATOM 4556e HWS SOL W7744 -60.527 -11.936 -83.950 1.00 0.00 H  
  
Duplicate atom serial number found: 45570  
Duplicate atom serial number found: 45572  
Duplicate atom serial number found: 45574  
Duplicate atom serial number found: 45576  
Duplicate atom serial number found: 45578  
Ignored bad PDB record found on line 152203  
ATOM 4557a HWS SOL W7746 -55.709 -9.895 -76.915 1.00 0.00 H  
  
Ignored bad PDB record found on line 152204  
ATOM 4557c OWS SOL W7747 -33.849 -5.089 -78.226 1.00 0.00 O  
  
Ignored bad PDB record found on line 152205  
ATOM 4557e HWS SOL W7747 -33.292 -4.546 -77.669 1.00 0.00 H  
  
Duplicate atom serial number found: 45580  
Duplicate atom serial number found: 45582  
Duplicate atom serial number found: 45584  
Duplicate atom serial number found: 45586  
Duplicate atom serial number found: 45588  
Ignored bad PDB record found on line 152211  
ATOM 4558a HWS SOL W7749 -44.550 -39.661 -64.698 1.00 0.00 H  
  
Ignored bad PDB record found on line 152212  
ATOM 4558c HWS SOL W7749 -44.855 -40.994 -64.049 1.00 0.00 H  
  
Ignored bad PDB record found on line 152213  
ATOM 4558e OWS SOL W774a -81.370 -36.425 -82.216 1.00 0.00 O  
  
Ignored bad PDB record found on line 152214  
ATOM 45590 HWS SOL W774a -82.144 -35.899 -82.012 1.00 0.00 H  
  
Ignored bad PDB record found on line 152215  
ATOM 45592 HWS SOL W774a -80.668 -35.784 -82.331 1.00 0.00 H  
  
63 messages similar to the above omitted  
Duplicate atom serial number found: 45612  
Duplicate atom serial number found: 45614  
Duplicate atom serial number found: 45616  
Duplicate atom serial number found: 45618  
Ignored bad PDB record found on line 152283  
ATOM 4561a HWS SOL W7761 -55.839 -37.838 -65.914 1.00 0.00 H  
  
Ignored bad PDB record found on line 152284  
ATOM 4561c HWS SOL W7761 -55.349 -37.438 -67.289 1.00 0.00 H  
  
Ignored bad PDB record found on line 152285  
ATOM 4561e OWS SOL W7762 -84.358 -19.792 -84.645 1.00 0.00 O  
  
Duplicate atom serial number found: 45620  
Duplicate atom serial number found: 45622  
Duplicate atom serial number found: 45624  
Duplicate atom serial number found: 45626  
Duplicate atom serial number found: 45628  
Ignored bad PDB record found on line 152291  
ATOM 4562a OWS SOL W7764 -56.250 -28.387 -79.471 1.00 0.00 O  
  
Ignored bad PDB record found on line 152292  
ATOM 4562c HWS SOL W7764 -56.230 -27.441 -79.618 1.00 0.00 H  
  
Ignored bad PDB record found on line 152293  
ATOM 4562e HWS SOL W7764 -57.056 -28.536 -78.978 1.00 0.00 H  
  
Duplicate atom serial number found: 45630  
Duplicate atom serial number found: 45632  
Duplicate atom serial number found: 45634  
Duplicate atom serial number found: 45636  
Duplicate atom serial number found: 45638  
Ignored bad PDB record found on line 152299  
ATOM 4563a HWS SOL W7766 -51.956 -28.871 -65.058 1.00 0.00 H  
  
Ignored bad PDB record found on line 152300  
ATOM 4563c OWS SOL W7767 -61.485 -22.321 -83.685 1.00 0.00 O  
  
Ignored bad PDB record found on line 152301  
ATOM 4563e HWS SOL W7767 -61.583 -21.462 -83.274 1.00 0.00 H  
  
Duplicate atom serial number found: 45640  
Duplicate atom serial number found: 45642  
Duplicate atom serial number found: 45644  
Duplicate atom serial number found: 45646  
Duplicate atom serial number found: 45648  
Ignored bad PDB record found on line 152307  
ATOM 4564a HWS SOL W7769 -59.301 -20.446 -53.503 1.00 0.00 H  
  
Ignored bad PDB record found on line 152308  
ATOM 4564c HWS SOL W7769 -60.193 -21.122 -54.522 1.00 0.00 H  
  
Ignored bad PDB record found on line 152309  
ATOM 4564e OWS SOL W776a -59.804 -13.335 -68.747 1.00 0.00 O  
  
Ignored bad PDB record found on line 152310  
ATOM 45650 HWS SOL W776a -60.293 -14.116 -68.487 1.00 0.00 H  
  
Ignored bad PDB record found on line 152311  
ATOM 45652 HWS SOL W776a -58.963 -13.418 -68.297 1.00 0.00 H  
  
15 messages similar to the above omitted  
Duplicate atom serial number found: 45672  
Duplicate atom serial number found: 45674  
Duplicate atom serial number found: 45676  
Duplicate atom serial number found: 45678  
Ignored bad PDB record found on line 152331  
ATOM 4567a HWS SOL W7771 -50.860 -21.281 -63.189 1.00 0.00 H  
  
Ignored bad PDB record found on line 152332  
ATOM 4567c HWS SOL W7771 -51.080 -19.822 -62.851 1.00 0.00 H  
  
Ignored bad PDB record found on line 152333  
ATOM 4567e OWS SOL W7772 -63.719 -26.012 -50.069 1.00 0.00 O  
  
Duplicate atom serial number found: 45680  
Duplicate atom serial number found: 45682  
Duplicate atom serial number found: 45684  
Duplicate atom serial number found: 45686  
Duplicate atom serial number found: 45688  
Ignored bad PDB record found on line 152339  
ATOM 4568a OWS SOL W7774 -66.509 -25.208 -62.403 1.00 0.00 O  
  
Ignored bad PDB record found on line 152340  
ATOM 4568c HWS SOL W7774 -67.235 -25.830 -62.357 1.00 0.00 H  
  
Ignored bad PDB record found on line 152341  
ATOM 4568e HWS SOL W7774 -65.746 -25.707 -62.111 1.00 0.00 H  
  
Duplicate atom serial number found: 45690  
Duplicate atom serial number found: 45692  
Duplicate atom serial number found: 45694  
Duplicate atom serial number found: 45696  
Duplicate atom serial number found: 45698  
Ignored bad PDB record found on line 152347  
ATOM 4569a HWS SOL W7776 -65.824 -13.472 -56.180 1.00 0.00 H  
  
Ignored bad PDB record found on line 152348  
ATOM 4569c OWS SOL W7777 -67.456 -16.871 -51.053 1.00 0.00 O  
  
Ignored bad PDB record found on line 152349  
ATOM 4569e HWS SOL W7777 -66.620 -16.474 -50.812 1.00 0.00 H  
  
Ignored bad PDB record found on line 152350  
ATOM 456a0 HWS SOL W7777 -67.349 -17.800 -50.848 1.00 0.00 H  
  
Ignored bad PDB record found on line 152351  
ATOM 456a2 OWS SOL W7778 -55.805 -22.660 -63.690 1.00 0.00 O  
  
46 messages similar to the above omitted  
Duplicate atom serial number found: 45700  
Duplicate atom serial number found: 45702  
Duplicate atom serial number found: 45704  
Duplicate atom serial number found: 45706  
Ignored bad PDB record found on line 152402  
ATOM 45708 OWS SOL W778a -54.977 -41.498 -48.729 1.00 0.00 O  
  
Ignored bad PDB record found on line 152403  
ATOM 4570a HWS SOL W778a -54.052 -41.653 -48.538 1.00 0.00 H  
  
Ignored bad PDB record found on line 152404  
ATOM 4570c HWS SOL W778a -55.128 -41.943 -49.563 1.00 0.00 H  
  
Ignored bad PDB record found on line 152405  
ATOM 4570e OWS SOL W778b -60.018 -50.918 -53.462 1.00 0.00 O  
  
Ignored bad PDB record found on line 152406  
ATOM 45710 HWS SOL W778b -60.484 -50.082 -53.432 1.00 0.00 H  
  
15 messages similar to the above omitted  
Duplicate atom serial number found: 45730  
Duplicate atom serial number found: 45732  
Duplicate atom serial number found: 45734  
Duplicate atom serial number found: 45736  
Duplicate atom serial number found: 45738  
Ignored bad PDB record found on line 152427  
ATOM 4573a HWS SOL W7792 -47.195 -33.948 -45.280 1.00 0.00 H  
  
Ignored bad PDB record found on line 152428  
ATOM 4573c HWS SOL W7792 -46.451 -33.172 -44.215 1.00 0.00 H  
  
Ignored bad PDB record found on line 152429  
ATOM 4573e OWS SOL W7793 -71.994 -14.579 -48.702 1.00 0.00 O  
  
Duplicate atom serial number found: 45740  
Duplicate atom serial number found: 45742  
Duplicate atom serial number found: 45744  
Duplicate atom serial number found: 45746  
Duplicate atom serial number found: 45748  
Ignored bad PDB record found on line 152435  
ATOM 4574a OWS SOL W7795 -63.316 -15.204 -56.917 1.00 0.00 O  
  
Ignored bad PDB record found on line 152436  
ATOM 4574c HWS SOL W7795 -64.257 -15.067 -56.809 1.00 0.00 H  
  
Ignored bad PDB record found on line 152437  
ATOM 4574e HWS SOL W7795 -63.043 -15.646 -56.113 1.00 0.00 H  
  
Duplicate atom serial number found: 45750  
Duplicate atom serial number found: 45752  
Duplicate atom serial number found: 45754  
Duplicate atom serial number found: 45756  
Duplicate atom serial number found: 45758  
Ignored bad PDB record found on line 152443  
ATOM 4575a HWS SOL W7797 -55.047 -20.511 -49.061 1.00 0.00 H  
  
Ignored bad PDB record found on line 152444  
ATOM 4575c OWS SOL W7798 -63.047 -30.286 88.673 1.00 0.00 O  
  
Ignored bad PDB record found on line 152445  
ATOM 4575e HWS SOL W7798 -62.274 -30.569 89.160 1.00 0.00 H  
  
Duplicate atom serial number found: 45760  
Duplicate atom serial number found: 45762  
Duplicate atom serial number found: 45764  
Duplicate atom serial number found: 45766  
Ignored bad PDB record found on line 152450  
ATOM 45768 OWS SOL W779a -80.127 2.752 -28.301 1.00 0.00 O  
  
Ignored bad PDB record found on line 152451  
ATOM 4576a HWS SOL W779a -79.864 3.646 -28.517 1.00 0.00 H  
  
Ignored bad PDB record found on line 152452  
ATOM 4576c HWS SOL W779a -81.050 2.707 -28.551 1.00 0.00 H  
  
Ignored bad PDB record found on line 152453  
ATOM 4576e OWS SOL W779b -76.814 -22.545 -70.392 1.00 0.00 O  
  
Ignored bad PDB record found on line 152454  
ATOM 45770 HWS SOL W779b -75.954 -22.933 -70.231 1.00 0.00 H  
  
1095 messages similar to the above omitted  
Duplicate atom serial number found: 46000  
Ignored bad PDB record found on line 153551  
ATOM 46002 OWS SOL W790a -53.025 -3.652 -39.617 1.00 0.00 O  
  
Ignored bad PDB record found on line 153552  
ATOM 46004 HWS SOL W790a -52.316 -3.233 -40.104 1.00 0.00 H  
  
Ignored bad PDB record found on line 153553  
ATOM 46006 HWS SOL W790a -53.803 -3.511 -40.155 1.00 0.00 H  
  
Ignored bad PDB record found on line 153554  
ATOM 46008 OWS SOL W790b -69.233 -27.372 -44.947 1.00 0.00 O  
  
Ignored bad PDB record found on line 153555  
ATOM 4600a HWS SOL W790b -69.411 -28.224 -44.549 1.00 0.00 H  
  
13 messages similar to the above omitted  
Duplicate atom serial number found: 46026  
Duplicate atom serial number found: 46028  
Ignored bad PDB record found on line 153571  
ATOM 4602a HWS SOL W7910 -62.610 -23.183 -58.840 1.00 0.00 H  
  
Ignored bad PDB record found on line 153572  
ATOM 4602c OWS SOL W7911 -69.820 -14.261 -47.014 1.00 0.00 O  
  
Ignored bad PDB record found on line 153573  
ATOM 4602e HWS SOL W7911 -70.698 -14.253 -47.395 1.00 0.00 H  
  
Duplicate atom serial number found: 46030  
Duplicate atom serial number found: 46032  
Duplicate atom serial number found: 46034  
Duplicate atom serial number found: 46036  
Duplicate atom serial number found: 46038  
Ignored bad PDB record found on line 153579  
ATOM 4603a HWS SOL W7913 -59.781 -45.292 -61.499 1.00 0.00 H  
  
Ignored bad PDB record found on line 153580  
ATOM 4603c HWS SOL W7913 -60.183 -43.919 -61.995 1.00 0.00 H  
  
Ignored bad PDB record found on line 153581  
ATOM 4603e OWS SOL W7914 -71.092 -26.906 -63.771 1.00 0.00 O  
  
Duplicate atom serial number found: 46040  
Duplicate atom serial number found: 46042  
Duplicate atom serial number found: 46044  
Duplicate atom serial number found: 46046  
Duplicate atom serial number found: 46048  
Ignored bad PDB record found on line 153587  
ATOM 4604a OWS SOL W7916 -46.620 -46.351 -64.384 1.00 0.00 O  
  
Ignored bad PDB record found on line 153588  
ATOM 4604c HWS SOL W7916 -47.517 -46.236 -64.070 1.00 0.00 H  
  
Ignored bad PDB record found on line 153589  
ATOM 4604e HWS SOL W7916 -46.432 -45.549 -64.872 1.00 0.00 H  
  
Duplicate atom serial number found: 46050  
Duplicate atom serial number found: 46052  
Duplicate atom serial number found: 46054  
Duplicate atom serial number found: 46056  
Duplicate atom serial number found: 46058  
Ignored bad PDB record found on line 153595  
ATOM 4605a HWS SOL W7918 -79.890 -21.828 -43.386 1.00 0.00 H  
  
Ignored bad PDB record found on line 153596  
ATOM 4605c OWS SOL W7919 -53.001 -25.686 -54.495 1.00 0.00 O  
  
Ignored bad PDB record found on line 153597  
ATOM 4605e HWS SOL W7919 -52.229 -25.944 -55.000 1.00 0.00 H  
  
Duplicate atom serial number found: 46060  
Ignored bad PDB record found on line 153599  
ATOM 46062 OWS SOL W791a -68.481 -40.815 -56.099 1.00 0.00 O  
  
Ignored bad PDB record found on line 153600  
ATOM 46064 HWS SOL W791a -68.566 -39.961 -56.524 1.00 0.00 H  
  
Ignored bad PDB record found on line 153601  
ATOM 46066 HWS SOL W791a -68.257 -40.609 -55.191 1.00 0.00 H  
  
Ignored bad PDB record found on line 153602  
ATOM 46068 OWS SOL W791b -71.451 -24.185 -67.263 1.00 0.00 O  
  
Ignored bad PDB record found on line 153603  
ATOM 4606a HWS SOL W791b -71.284 -23.921 -66.358 1.00 0.00 H  
  
13 messages similar to the above omitted  
Duplicate atom serial number found: 46086  
Duplicate atom serial number found: 46088  
Ignored bad PDB record found on line 153619  
ATOM 4608a HWS SOL W7920 -66.950 -25.000 -66.058 1.00 0.00 H  
  
Ignored bad PDB record found on line 153620  
ATOM 4608c OWS SOL W7921 -46.740 -14.848 -45.144 1.00 0.00 O  
  
Ignored bad PDB record found on line 153621  
ATOM 4608e HWS SOL W7921 -47.541 -14.889 -44.622 1.00 0.00 H  
  
Duplicate atom serial number found: 46090  
Duplicate atom serial number found: 46092  
Duplicate atom serial number found: 46094  
Duplicate atom serial number found: 46096  
Duplicate atom serial number found: 46098  
Ignored bad PDB record found on line 153627  
ATOM 4609a HWS SOL W7923 -72.203 -33.698 -70.569 1.00 0.00 H  
  
Ignored bad PDB record found on line 153628  
ATOM 4609c HWS SOL W7923 -71.894 -35.067 -70.001 1.00 0.00 H  
  
Ignored bad PDB record found on line 153629  
ATOM 4609e OWS SOL W7924 -45.276 -28.602 -54.165 1.00 0.00 O  
  
Ignored bad PDB record found on line 153630  
ATOM 460a0 HWS SOL W7924 -44.668 -28.915 -54.835 1.00 0.00 H  
  
Ignored bad PDB record found on line 153631  
ATOM 460a2 HWS SOL W7924 -45.896 -28.050 -54.642 1.00 0.00 H  
  
46 messages similar to the above omitted  
Duplicate atom serial number found: 46100  
Duplicate atom serial number found: 46102  
Duplicate atom serial number found: 46104  
Duplicate atom serial number found: 46106  
Duplicate atom serial number found: 46108  
Ignored bad PDB record found on line 153683  
ATOM 4610a OWS SOL W7936 -50.590 -27.801 -47.213 1.00 0.00 O  
  
Ignored bad PDB record found on line 153684  
ATOM 4610c HWS SOL W7936 -51.429 -27.729 -46.758 1.00 0.00 H  
  
Ignored bad PDB record found on line 153685  
ATOM 4610e HWS SOL W7936 -50.278 -28.681 -47.005 1.00 0.00 H  
  
Duplicate atom serial number found: 46110  
Duplicate atom serial number found: 46112  
Duplicate atom serial number found: 46114  
Duplicate atom serial number found: 46116  
Duplicate atom serial number found: 46118  
Ignored bad PDB record found on line 153691  
ATOM 4611a HWS SOL W7938 -69.615 -19.483 -41.276 1.00 0.00 H  
  
Ignored bad PDB record found on line 153692  
ATOM 4611c OWS SOL W7939 -54.249 -8.626 -25.221 1.00 0.00 O  
  
Ignored bad PDB record found on line 153693  
ATOM 4611e HWS SOL W7939 -53.378 -8.885 -25.523 1.00 0.00 H  
  
Duplicate atom serial number found: 46120  
Ignored bad PDB record found on line 153695  
ATOM 46122 OWS SOL W793a -57.080 -22.759 -78.571 1.00 0.00 O  
  
Ignored bad PDB record found on line 153696  
ATOM 46124 HWS SOL W793a -56.854 -22.199 -77.829 1.00 0.00 H  
  
Ignored bad PDB record found on line 153697  
ATOM 46126 HWS SOL W793a -56.859 -22.236 -79.342 1.00 0.00 H  
  
Ignored bad PDB record found on line 153698  
ATOM 46128 OWS SOL W793b -73.642 -21.973 -85.591 1.00 0.00 O  
  
Ignored bad PDB record found on line 153699  
ATOM 4612a HWS SOL W793b -74.056 -22.587 -86.197 1.00 0.00 H  
  
13 messages similar to the above omitted  
Duplicate atom serial number found: 46146  
Duplicate atom serial number found: 46148  
Ignored bad PDB record found on line 153715  
ATOM 4614a HWS SOL W7940 -40.039 -32.602 -55.985 1.00 0.00 H  
  
Ignored bad PDB record found on line 153716  
ATOM 4614c OWS SOL W7941 -47.637 -26.432 -60.032 1.00 0.00 O  
  
Ignored bad PDB record found on line 153717  
ATOM 4614e HWS SOL W7941 -46.863 -26.017 -59.651 1.00 0.00 H  
  
Duplicate atom serial number found: 46150  
Duplicate atom serial number found: 46152  
Duplicate atom serial number found: 46154  
Duplicate atom serial number found: 46156  
Duplicate atom serial number found: 46158  
Ignored bad PDB record found on line 153723  
ATOM 4615a HWS SOL W7943 -47.793 -51.617 -73.184 1.00 0.00 H  
  
Ignored bad PDB record found on line 153724  
ATOM 4615c HWS SOL W7943 -48.596 -52.640 -73.958 1.00 0.00 H  
  
Ignored bad PDB record found on line 153725  
ATOM 4615e OWS SOL W7944 -25.822 -24.410 -49.228 1.00 0.00 O  
  
Duplicate atom serial number found: 46160  
Duplicate atom serial number found: 46162  
Duplicate atom serial number found: 46164  
Duplicate atom serial number found: 46166  
Duplicate atom serial number found: 46168  
Ignored bad PDB record found on line 153731  
ATOM 4616a OWS SOL W7946 -44.093 -22.430 -51.866 1.00 0.00 O  
  
Ignored bad PDB record found on line 153732  
ATOM 4616c HWS SOL W7946 -43.993 -22.071 -50.985 1.00 0.00 H  
  
Ignored bad PDB record found on line 153733  
ATOM 4616e HWS SOL W7946 -43.223 -22.761 -52.090 1.00 0.00 H  
  
Duplicate atom serial number found: 46170  
Duplicate atom serial number found: 46172  
Duplicate atom serial number found: 46174  
Duplicate atom serial number found: 46176  
Duplicate atom serial number found: 46178  
Ignored bad PDB record found on line 153739  
ATOM 4617a HWS SOL W7948 -49.360 -13.665 -66.150 1.00 0.00 H  
  
Ignored bad PDB record found on line 153740  
ATOM 4617c OWS SOL W7949 -35.258 -8.424 -46.671 1.00 0.00 O  
  
Ignored bad PDB record found on line 153741  
ATOM 4617e HWS SOL W7949 -36.144 -8.175 -46.407 1.00 0.00 H  
  
Duplicate atom serial number found: 46180  
Ignored bad PDB record found on line 153743  
ATOM 46182 OWS SOL W794a -66.451 -44.354 -62.083 1.00 0.00 O  
  
Ignored bad PDB record found on line 153744  
ATOM 46184 HWS SOL W794a -66.086 -44.646 -61.248 1.00 0.00 H  
  
Ignored bad PDB record found on line 153745  
ATOM 46186 HWS SOL W794a -66.229 -45.051 -62.700 1.00 0.00 H  
  
Ignored bad PDB record found on line 153746  
ATOM 46188 OWS SOL W794b -66.217 -10.108 -54.309 1.00 0.00 O  
  
Ignored bad PDB record found on line 153747  
ATOM 4618a HWS SOL W794b -65.380 -9.831 -54.682 1.00 0.00 H  
  
61 messages similar to the above omitted  
Duplicate atom serial number found: 46206  
Duplicate atom serial number found: 46208  
Ignored bad PDB record found on line 153811  
ATOM 4620a HWS SOL W7960 -39.136 -29.950 -51.663 1.00 0.00 H  
  
Ignored bad PDB record found on line 153812  
ATOM 4620c OWS SOL W7961 -45.090 -45.547 -30.449 1.00 0.00 O  
  
Ignored bad PDB record found on line 153813  
ATOM 4620e HWS SOL W7961 -45.064 -44.591 -30.409 1.00 0.00 H  
  
Duplicate atom serial number found: 46210  
Duplicate atom serial number found: 46212  
Duplicate atom serial number found: 46214  
Duplicate atom serial number found: 46216  
Duplicate atom serial number found: 46218  
Ignored bad PDB record found on line 153819  
ATOM 4621a HWS SOL W7963 -63.907 -42.246 -65.386 1.00 0.00 H  
  
Ignored bad PDB record found on line 153820  
ATOM 4621c HWS SOL W7963 -63.079 -41.224 -64.635 1.00 0.00 H  
  
Ignored bad PDB record found on line 153821  
ATOM 4621e OWS SOL W7964 -79.458 -10.605 -53.840 1.00 0.00 O  
  
Duplicate atom serial number found: 46220  
Duplicate atom serial number found: 46222  
Duplicate atom serial number found: 46224  
Duplicate atom serial number found: 46226  
Duplicate atom serial number found: 46228  
Ignored bad PDB record found on line 153827  
ATOM 4622a OWS SOL W7966 -50.294 -2.302 -38.248 1.00 0.00 O  
  
Ignored bad PDB record found on line 153828  
ATOM 4622c HWS SOL W7966 -49.404 -1.951 -38.248 1.00 0.00 H  
  
Ignored bad PDB record found on line 153829  
ATOM 4622e HWS SOL W7966 -50.182 -3.239 -38.089 1.00 0.00 H  
  
Duplicate atom serial number found: 46230  
Duplicate atom serial number found: 46232  
Duplicate atom serial number found: 46234  
Duplicate atom serial number found: 46236  
Duplicate atom serial number found: 46238  
Ignored bad PDB record found on line 153835  
ATOM 4623a HWS SOL W7968 -56.958 -31.338 -55.161 1.00 0.00 H  
  
Ignored bad PDB record found on line 153836  
ATOM 4623c OWS SOL W7969 -52.058 -30.416 -54.465 1.00 0.00 O  
  
Ignored bad PDB record found on line 153837  
ATOM 4623e HWS SOL W7969 -52.767 -30.565 -55.091 1.00 0.00 H  
  
Duplicate atom serial number found: 46240  
Ignored bad PDB record found on line 153839  
ATOM 46242 OWS SOL W796a -53.503 -26.634 -66.849 1.00 0.00 O  
  
Ignored bad PDB record found on line 153840  
ATOM 46244 HWS SOL W796a -54.379 -27.015 -66.793 1.00 0.00 H  
  
Ignored bad PDB record found on line 153841  
ATOM 46246 HWS SOL W796a -53.452 -26.279 -67.737 1.00 0.00 H  
  
Ignored bad PDB record found on line 153842  
ATOM 46248 OWS SOL W796b -52.170 -43.503 -62.199 1.00 0.00 O  
  
Ignored bad PDB record found on line 153843  
ATOM 4624a HWS SOL W796b -52.319 -43.920 -63.048 1.00 0.00 H  
  
13 messages similar to the above omitted  
Duplicate atom serial number found: 46266  
Duplicate atom serial number found: 46268  
Ignored bad PDB record found on line 153859  
ATOM 4626a HWS SOL W7970 -36.712 -31.754 -58.461 1.00 0.00 H  
  
Ignored bad PDB record found on line 153860  
ATOM 4626c OWS SOL W7971 -59.424 -23.722 -39.221 1.00 0.00 O  
  
Ignored bad PDB record found on line 153861  
ATOM 4626e HWS SOL W7971 -60.164 -23.222 -38.877 1.00 0.00 H  
  
Duplicate atom serial number found: 46270  
Duplicate atom serial number found: 46272  
Duplicate atom serial number found: 46274  
Duplicate atom serial number found: 46276  
Duplicate atom serial number found: 46278  
Ignored bad PDB record found on line 153867  
ATOM 4627a HWS SOL W7973 -53.392 -14.045 -52.492 1.00 0.00 H  
  
Ignored bad PDB record found on line 153868  
ATOM 4627c HWS SOL W7973 -54.548 -14.874 -51.972 1.00 0.00 H  
  
Ignored bad PDB record found on line 153869  
ATOM 4627e OWS SOL W7974 -68.900 -21.163 -57.250 1.00 0.00 O  
  
Duplicate atom serial number found: 46280  
Duplicate atom serial number found: 46282  
Duplicate atom serial number found: 46284  
Duplicate atom serial number found: 46286  
Duplicate atom serial number found: 46288  
Ignored bad PDB record found on line 153875  
ATOM 4628a OWS SOL W7976 -80.356 -26.772 -28.464 1.00 0.00 O  
  
Ignored bad PDB record found on line 153876  
ATOM 4628c HWS SOL W7976 -79.670 -27.015 -27.842 1.00 0.00 H  
  
Ignored bad PDB record found on line 153877  
ATOM 4628e HWS SOL W7976 -79.890 -26.605 -29.283 1.00 0.00 H  
  
Duplicate atom serial number found: 46290  
Duplicate atom serial number found: 46292  
Duplicate atom serial number found: 46294  
Duplicate atom serial number found: 46296  
Duplicate atom serial number found: 46298  
Ignored bad PDB record found on line 153883  
ATOM 4629a HWS SOL W7978 -65.899 0.751 -48.932 1.00 0.00 H  
  
Ignored bad PDB record found on line 153884  
ATOM 4629c OWS SOL W7979 -50.320 -25.557 -59.972 1.00 0.00 O  
  
Ignored bad PDB record found on line 153885  
ATOM 4629e HWS SOL W7979 -50.635 -24.662 -60.100 1.00 0.00 H  
  
Ignored bad PDB record found on line 153886  
ATOM 462a0 HWS SOL W7979 -49.375 -25.465 -59.853 1.00 0.00 H  
  
Ignored bad PDB record found on line 153887  
ATOM 462a2 OWS SOL W797a -54.627 -35.447 -72.809 1.00 0.00 O  
  
46 messages similar to the above omitted  
Duplicate atom serial number found: 46300  
Ignored bad PDB record found on line 153935  
ATOM 46302 OWS SOL W798a -52.589 -21.772 -44.917 1.00 0.00 O  
  
Ignored bad PDB record found on line 153936  
ATOM 46304 HWS SOL W798a -52.530 -21.628 -43.973 1.00 0.00 H  
  
Ignored bad PDB record found on line 153937  
ATOM 46306 HWS SOL W798a -52.610 -22.724 -45.013 1.00 0.00 H  
  
Ignored bad PDB record found on line 153938  
ATOM 46308 OWS SOL W798b -60.247 -15.058 -52.079 1.00 0.00 O  
  
Ignored bad PDB record found on line 153939  
ATOM 4630a HWS SOL W798b -60.888 -15.031 -51.368 1.00 0.00 H  
  
13 messages similar to the above omitted  
Duplicate atom serial number found: 46326  
Duplicate atom serial number found: 46328  
Ignored bad PDB record found on line 153955  
ATOM 4632a HWS SOL W7990 -56.203 -14.789 -78.455 1.00 0.00 H  
  
Ignored bad PDB record found on line 153956  
ATOM 4632c OWS SOL W7991 -58.851 -34.425 -85.551 1.00 0.00 O  
  
Ignored bad PDB record found on line 153957  
ATOM 4632e HWS SOL W7991 -59.333 -35.183 -85.222 1.00 0.00 H  
  
Duplicate atom serial number found: 46330  
Duplicate atom serial number found: 46332  
Duplicate atom serial number found: 46334  
Duplicate atom serial number found: 46336  
Duplicate atom serial number found: 46338  
Ignored bad PDB record found on line 153963  
ATOM 4633a HWS SOL W7993 -67.366 -43.014 -80.679 1.00 0.00 H  
  
Ignored bad PDB record found on line 153964  
ATOM 4633c HWS SOL W7993 -67.741 -41.561 -80.874 1.00 0.00 H  
  
Ignored bad PDB record found on line 153965  
ATOM 4633e OWS SOL W7994 -76.329 -18.667 -41.793 1.00 0.00 O  
  
Duplicate atom serial number found: 46340  
Duplicate atom serial number found: 46342  
Duplicate atom serial number found: 46344  
Duplicate atom serial number found: 46346  
Duplicate atom serial number found: 46348  
Ignored bad PDB record found on line 153971  
ATOM 4634a OWS SOL W7996 -63.921 -42.870 -56.947 1.00 0.00 O  
  
Ignored bad PDB record found on line 153972  
ATOM 4634c HWS SOL W7996 -64.398 -42.049 -57.068 1.00 0.00 H  
  
Ignored bad PDB record found on line 153973  
ATOM 4634e HWS SOL W7996 -63.969 -43.304 -57.799 1.00 0.00 H  
  
Duplicate atom serial number found: 46350  
Duplicate atom serial number found: 46352  
Duplicate atom serial number found: 46354  
Duplicate atom serial number found: 46356  
Duplicate atom serial number found: 46358  
Ignored bad PDB record found on line 153979  
ATOM 4635a HWS SOL W7998 -80.443 -4.112 -44.703 1.00 0.00 H  
  
Ignored bad PDB record found on line 153980  
ATOM 4635c OWS SOL W7999 -69.924 -40.155 -60.653 1.00 0.00 O  
  
Ignored bad PDB record found on line 153981  
ATOM 4635e HWS SOL W7999 -69.391 -40.849 -61.041 1.00 0.00 H  
  
Duplicate atom serial number found: 46360  
Ignored bad PDB record found on line 153983  
ATOM 46362 OWS SOL W799a -56.744 -31.525 -49.321 1.00 0.00 O  
  
Ignored bad PDB record found on line 153984  
ATOM 46364 HWS SOL W799a -57.409 -30.879 -49.559 1.00 0.00 H  
  
Ignored bad PDB record found on line 153985  
ATOM 46366 HWS SOL W799a -57.069 -31.915 -48.509 1.00 0.00 H  
  
Ignored bad PDB record found on line 153986  
ATOM 46368 OWS SOL W799b -57.452 -18.820 -34.191 1.00 0.00 O  
  
Ignored bad PDB record found on line 153987  
ATOM 4636a HWS SOL W799b -56.707 -19.078 -34.734 1.00 0.00 H  
  
5706 messages similar to the above omitted  
Duplicate atom serial number found: 49000  
Duplicate atom serial number found: 49002  
Duplicate atom serial number found: 49004  
Duplicate atom serial number found: 49006  
Duplicate atom serial number found: 49008  
Ignored bad PDB record found on line 159699  
ATOM 4900a HWS SOL W8113 -61.891 -15.290 31.996 1.00 0.00 H  
  
Ignored bad PDB record found on line 159700  
ATOM 4900c HWS SOL W8113 -60.981 -15.274 30.786 1.00 0.00 H  
  
Ignored bad PDB record found on line 159701  
ATOM 4900e OWS SOL W8114 -80.900 -20.862 25.347 1.00 0.00 O  
  
Duplicate atom serial number found: 49010  
Duplicate atom serial number found: 49012  
Duplicate atom serial number found: 49014  
Duplicate atom serial number found: 49016  
Duplicate atom serial number found: 49018  
Ignored bad PDB record found on line 159707  
ATOM 4901a OWS SOL W8116 -46.105 -27.689 25.489 1.00 0.00 O  
  
Ignored bad PDB record found on line 159708  
ATOM 4901c HWS SOL W8116 -46.352 -27.461 24.593 1.00 0.00 H  
  
Ignored bad PDB record found on line 159709  
ATOM 4901e HWS SOL W8116 -45.703 -28.555 25.414 1.00 0.00 H  
  
Duplicate atom serial number found: 49020  
Duplicate atom serial number found: 49022  
Duplicate atom serial number found: 49024  
Duplicate atom serial number found: 49026  
Duplicate atom serial number found: 49028  
Ignored bad PDB record found on line 159715  
ATOM 4902a HWS SOL W8118 -69.207 -36.278 56.454 1.00 0.00 H  
  
Ignored bad PDB record found on line 159716  
ATOM 4902c OWS SOL W8119 -78.473 -19.448 32.262 1.00 0.00 O  
  
Ignored bad PDB record found on line 159717  
ATOM 4902e HWS SOL W8119 -78.321 -18.838 32.984 1.00 0.00 H  
  
Duplicate atom serial number found: 49030  
Ignored bad PDB record found on line 159719  
ATOM 49032 OWS SOL W811a -54.899 -23.274 34.075 1.00 0.00 O  
  
Ignored bad PDB record found on line 159720  
ATOM 49034 HWS SOL W811a -55.578 -22.601 34.131 1.00 0.00 H  
  
Ignored bad PDB record found on line 159721  
ATOM 49036 HWS SOL W811a -54.152 -22.828 33.676 1.00 0.00 H  
  
Ignored bad PDB record found on line 159722  
ATOM 49038 OWS SOL W811b -57.032 -21.234 46.598 1.00 0.00 O  
  
Ignored bad PDB record found on line 159723  
ATOM 4903a HWS SOL W811b -56.480 -21.110 45.825 1.00 0.00 H  
  
13 messages similar to the above omitted  
Duplicate atom serial number found: 49056  
Duplicate atom serial number found: 49058  
Ignored bad PDB record found on line 159739  
ATOM 4905a HWS SOL W8120 -48.946 -30.763 8.277 1.00 0.00 H  
  
Ignored bad PDB record found on line 159740  
ATOM 4905c OWS SOL W8121 -74.151 -46.793 48.781 1.00 0.00 O  
  
Ignored bad PDB record found on line 159741  
ATOM 4905e HWS SOL W8121 -74.032 -47.257 49.610 1.00 0.00 H  
  
Duplicate atom serial number found: 49060  
Duplicate atom serial number found: 49062  
Duplicate atom serial number found: 49064  
Duplicate atom serial number found: 49066  
Duplicate atom serial number found: 49068  
Ignored bad PDB record found on line 159747  
ATOM 4906a HWS SOL W8123 -68.623 -13.493 27.678 1.00 0.00 H  
  
Ignored bad PDB record found on line 159748  
ATOM 4906c HWS SOL W8123 -69.810 -13.342 26.751 1.00 0.00 H  
  
Ignored bad PDB record found on line 159749  
ATOM 4906e OWS SOL W8124 -79.089 -32.494 22.447 1.00 0.00 O  
  
Duplicate atom serial number found: 49070  
Duplicate atom serial number found: 49072  
Duplicate atom serial number found: 49074  
Duplicate atom serial number found: 49076  
Duplicate atom serial number found: 49078  
Ignored bad PDB record found on line 159755  
ATOM 4907a OWS SOL W8126 -39.340 -16.158 31.171 1.00 0.00 O  
  
Ignored bad PDB record found on line 159756  
ATOM 4907c HWS SOL W8126 -38.849 -15.402 30.847 1.00 0.00 H  
  
Ignored bad PDB record found on line 159757  
ATOM 4907e HWS SOL W8126 -40.106 -15.780 31.601 1.00 0.00 H  
  
Duplicate atom serial number found: 49080  
Duplicate atom serial number found: 49082  
Duplicate atom serial number found: 49084  
Duplicate atom serial number found: 49086  
Duplicate atom serial number found: 49088  
Ignored bad PDB record found on line 159763  
ATOM 4908a HWS SOL W8128 -70.433 -15.090 40.573 1.00 0.00 H  
  
Ignored bad PDB record found on line 159764  
ATOM 4908c OWS SOL W8129 -77.231 -31.191 13.500 1.00 0.00 O  
  
Ignored bad PDB record found on line 159765  
ATOM 4908e HWS SOL W8129 -76.302 -31.378 13.368 1.00 0.00 H  
  
Duplicate atom serial number found: 49090  
Ignored bad PDB record found on line 159767  
ATOM 49092 OWS SOL W812a -73.641 -27.534 35.114 1.00 0.00 O  
  
Ignored bad PDB record found on line 159768  
ATOM 49094 HWS SOL W812a -73.374 -26.848 35.727 1.00 0.00 H  
  
Ignored bad PDB record found on line 159769  
ATOM 49096 HWS SOL W812a -74.596 -27.473 35.087 1.00 0.00 H  
  
Ignored bad PDB record found on line 159770  
ATOM 49098 OWS SOL W812b -56.399 -44.189 33.386 1.00 0.00 O  
  
Ignored bad PDB record found on line 159771  
ATOM 4909a HWS SOL W812b -57.293 -44.508 33.502 1.00 0.00 H  
  
61 messages similar to the above omitted  
Duplicate atom serial number found: 49116  
Duplicate atom serial number found: 49118  
Ignored bad PDB record found on line 159835  
ATOM 4911a HWS SOL W8140 -48.567 -24.591 21.493 1.00 0.00 H  
  
Ignored bad PDB record found on line 159836  
ATOM 4911c OWS SOL W8141 -55.508 -17.419 19.662 1.00 0.00 O  
  
Ignored bad PDB record found on line 159837  
ATOM 4911e HWS SOL W8141 -54.870 -17.980 20.103 1.00 0.00 H  
  
Duplicate atom serial number found: 49120  
Duplicate atom serial number found: 49122  
Duplicate atom serial number found: 49124  
Duplicate atom serial number found: 49126  
Duplicate atom serial number found: 49128  
Ignored bad PDB record found on line 159843  
ATOM 4912a HWS SOL W8143 -72.617 -0.266 18.254 1.00 0.00 H  
  
Ignored bad PDB record found on line 159844  
ATOM 4912c HWS SOL W8143 -71.198 -0.793 18.266 1.00 0.00 H  
  
Ignored bad PDB record found on line 159845  
ATOM 4912e OWS SOL W8144 -77.755 -49.312 31.950 1.00 0.00 O  
  
Duplicate atom serial number found: 49130  
Duplicate atom serial number found: 49132  
Duplicate atom serial number found: 49134  
Duplicate atom serial number found: 49136  
Duplicate atom serial number found: 49138  
Ignored bad PDB record found on line 159851  
ATOM 4913a OWS SOL W8146 -41.804 -34.576 49.773 1.00 0.00 O  
  
Ignored bad PDB record found on line 159852  
ATOM 4913c HWS SOL W8146 -41.583 -35.344 49.247 1.00 0.00 H  
  
Ignored bad PDB record found on line 159853  
ATOM 4913e HWS SOL W8146 -42.112 -34.935 50.605 1.00 0.00 H  
  
Duplicate atom serial number found: 49140  
Duplicate atom serial number found: 49142  
Duplicate atom serial number found: 49144  
Duplicate atom serial number found: 49146  
Duplicate atom serial number found: 49148  
Ignored bad PDB record found on line 159859  
ATOM 4914a HWS SOL W8148 -42.693 -36.262 11.430 1.00 0.00 H  
  
Ignored bad PDB record found on line 159860  
ATOM 4914c OWS SOL W8149 -48.095 -32.122 28.679 1.00 0.00 O  
  
Ignored bad PDB record found on line 159861  
ATOM 4914e HWS SOL W8149 -47.304 -32.435 29.117 1.00 0.00 H  
  
Duplicate atom serial number found: 49150  
Ignored bad PDB record found on line 159863  
ATOM 49152 OWS SOL W814a -61.171 -35.959 19.738 1.00 0.00 O  
  
Ignored bad PDB record found on line 159864  
ATOM 49154 HWS SOL W814a -61.660 -36.199 20.526 1.00 0.00 H  
  
Ignored bad PDB record found on line 159865  
ATOM 49156 HWS SOL W814a -61.032 -35.016 19.820 1.00 0.00 H  
  
Ignored bad PDB record found on line 159866  
ATOM 49158 OWS SOL W814b -56.531 -39.179 43.184 1.00 0.00 O  
  
Ignored bad PDB record found on line 159867  
ATOM 4915a HWS SOL W814b -56.464 -38.878 42.278 1.00 0.00 H  
  
13 messages similar to the above omitted  
Duplicate atom serial number found: 49176  
Duplicate atom serial number found: 49178  
Ignored bad PDB record found on line 159883  
ATOM 4917a HWS SOL W8150 -43.400 -40.804 27.181 1.00 0.00 H  
  
Ignored bad PDB record found on line 159884  
ATOM 4917c OWS SOL W8151 -54.247 -26.633 33.412 1.00 0.00 O  
  
Ignored bad PDB record found on line 159885  
ATOM 4917e HWS SOL W8151 -53.606 -25.954 33.206 1.00 0.00 H  
  
Duplicate atom serial number found: 49180  
Duplicate atom serial number found: 49182  
Duplicate atom serial number found: 49184  
Duplicate atom serial number found: 49186  
Duplicate atom serial number found: 49188  
Ignored bad PDB record found on line 159891  
ATOM 4918a HWS SOL W8153 -44.010 -31.578 37.208 1.00 0.00 H  
  
Ignored bad PDB record found on line 159892  
ATOM 4918c HWS SOL W8153 -43.872 -31.405 38.705 1.00 0.00 H  
  
Ignored bad PDB record found on line 159893  
ATOM 4918e OWS SOL W8154 -45.516 -23.588 20.074 1.00 0.00 O  
  
Duplicate atom serial number found: 49190  
Duplicate atom serial number found: 49192  
Duplicate atom serial number found: 49194  
Duplicate atom serial number found: 49196  
Duplicate atom serial number found: 49198  
Ignored bad PDB record found on line 159899  
ATOM 4919a OWS SOL W8156 -57.064 -21.564 33.462 1.00 0.00 O  
  
Ignored bad PDB record found on line 159900  
ATOM 4919c HWS SOL W8156 -57.392 -21.434 32.572 1.00 0.00 H  
  
Ignored bad PDB record found on line 159901  
ATOM 4919e HWS SOL W8156 -57.142 -20.704 33.875 1.00 0.00 H  
  
Ignored bad PDB record found on line 159902  
ATOM 491a0 OWS SOL W8157 -34.760 -14.795 27.358 1.00 0.00 O  
  
Ignored bad PDB record found on line 159903  
ATOM 491a2 HWS SOL W8157 -34.453 -14.121 27.965 1.00 0.00 H  
  
46 messages similar to the above omitted  
Duplicate atom serial number found: 49200  
Duplicate atom serial number found: 49202  
Duplicate atom serial number found: 49204  
Duplicate atom serial number found: 49206  
Duplicate atom serial number found: 49208  
Ignored bad PDB record found on line 159955  
ATOM 4920a HWS SOL W8168 -56.249 -28.125 43.363 1.00 0.00 H  
  
Ignored bad PDB record found on line 159956  
ATOM 4920c OWS SOL W8169 -67.267 -20.884 10.367 1.00 0.00 O  
  
Ignored bad PDB record found on line 159957  
ATOM 4920e HWS SOL W8169 -67.961 -20.928 11.025 1.00 0.00 H  
  
Duplicate atom serial number found: 49210  
Ignored bad PDB record found on line 159959  
ATOM 49212 OWS SOL W816a -82.084 -36.485 17.781 1.00 0.00 O  
  
Ignored bad PDB record found on line 159960  
ATOM 49214 HWS SOL W816a -82.708 -36.178 18.438 1.00 0.00 H  
  
Ignored bad PDB record found on line 159961  
ATOM 49216 HWS SOL W816a -81.663 -35.688 17.458 1.00 0.00 H  
  
Ignored bad PDB record found on line 159962  
ATOM 49218 OWS SOL W816b -52.143 -36.854 44.783 1.00 0.00 O  
  
Ignored bad PDB record found on line 159963  
ATOM 4921a HWS SOL W816b -52.897 -36.286 44.622 1.00 0.00 H  
  
13 messages similar to the above omitted  
Duplicate atom serial number found: 49236  
Duplicate atom serial number found: 49238  
Ignored bad PDB record found on line 159979  
ATOM 4923a HWS SOL W8170 -52.687 -32.662 27.012 1.00 0.00 H  
  
Ignored bad PDB record found on line 159980  
ATOM 4923c OWS SOL W8171 -32.219 -21.405 40.376 1.00 0.00 O  
  
Ignored bad PDB record found on line 159981  
ATOM 4923e HWS SOL W8171 -32.011 -22.313 40.596 1.00 0.00 H  
  
Duplicate atom serial number found: 49240  
Duplicate atom serial number found: 49242  
Duplicate atom serial number found: 49244  
Duplicate atom serial number found: 49246  
Duplicate atom serial number found: 49248  
Ignored bad PDB record found on line 159987  
ATOM 4924a HWS SOL W8173 -59.576 -20.708 30.886 1.00 0.00 H  
  
Ignored bad PDB record found on line 159988  
ATOM 4924c HWS SOL W8173 -60.917 -20.728 30.183 1.00 0.00 H  
  
Ignored bad PDB record found on line 159989  
ATOM 4924e OWS SOL W8174 -65.660 -30.362 55.052 1.00 0.00 O  
  
Duplicate atom serial number found: 49250  
Duplicate atom serial number found: 49252  
Duplicate atom serial number found: 49254  
Duplicate atom serial number found: 49256  
Duplicate atom serial number found: 49258  
Ignored bad PDB record found on line 159995  
ATOM 4925a OWS SOL W8176 -65.811 -16.290 27.011 1.00 0.00 O  
  
Ignored bad PDB record found on line 159996  
ATOM 4925c HWS SOL W8176 -65.013 -16.731 27.301 1.00 0.00 H  
  
Ignored bad PDB record found on line 159997  
ATOM 4925e HWS SOL W8176 -66.484 -16.971 27.032 1.00 0.00 H  
  
Duplicate atom serial number found: 49260  
Duplicate atom serial number found: 49262  
Duplicate atom serial number found: 49264  
Duplicate atom serial number found: 49266  
Duplicate atom serial number found: 49268  
Ignored bad PDB record found on line 160003  
ATOM 4926a HWS SOL W8178 -62.387 -20.062 25.793 1.00 0.00 H  
  
Ignored bad PDB record found on line 160004  
ATOM 4926c OWS SOL W8179 -58.140 -30.266 26.107 1.00 0.00 O  
  
Ignored bad PDB record found on line 160005  
ATOM 4926e HWS SOL W8179 -57.723 -30.373 26.962 1.00 0.00 H  
  
Duplicate atom serial number found: 49270  
Ignored bad PDB record found on line 160007  
ATOM 49272 OWS SOL W817a -60.962 -33.511 35.082 1.00 0.00 O  
  
Ignored bad PDB record found on line 160008  
ATOM 49274 HWS SOL W817a -61.064 -33.049 35.914 1.00 0.00 H  
  
Ignored bad PDB record found on line 160009  
ATOM 49276 HWS SOL W817a -61.815 -33.430 34.656 1.00 0.00 H  
  
Ignored bad PDB record found on line 160010  
ATOM 49278 OWS SOL W817b -43.149 -13.593 35.375 1.00 0.00 O  
  
Ignored bad PDB record found on line 160011  
ATOM 4927a HWS SOL W817b -42.723 -12.737 35.323 1.00 0.00 H  
  
13 messages similar to the above omitted  
Duplicate atom serial number found: 49296  
Duplicate atom serial number found: 49298  
Ignored bad PDB record found on line 160027  
ATOM 4929a HWS SOL W8180 -65.745 -40.673 15.087 1.00 0.00 H  
  
Ignored bad PDB record found on line 160028  
ATOM 4929c OWS SOL W8181 -50.074 -26.668 27.907 1.00 0.00 O  
  
Ignored bad PDB record found on line 160029  
ATOM 4929e HWS SOL W8181 -50.392 -26.622 28.808 1.00 0.00 H  
  
Ignored bad PDB record found on line 160030  
ATOM 492a0 HWS SOL W8181 -50.600 -26.024 27.433 1.00 0.00 H  
  
Ignored bad PDB record found on line 160031  
ATOM 492a2 OWS SOL W8182 -51.947 -35.232 28.826 1.00 0.00 O  
  
46 messages similar to the above omitted  
Duplicate atom serial number found: 49300  
Duplicate atom serial number found: 49302  
Duplicate atom serial number found: 49304  
Duplicate atom serial number found: 49306  
Duplicate atom serial number found: 49308  
Ignored bad PDB record found on line 160083  
ATOM 4930a HWS SOL W8193 -38.489 -33.095 33.833 1.00 0.00 H  
  
Ignored bad PDB record found on line 160084  
ATOM 4930c HWS SOL W8193 -37.356 -33.398 34.790 1.00 0.00 H  
  
Ignored bad PDB record found on line 160085  
ATOM 4930e OWS SOL W8194 -61.872 -39.597 10.434 1.00 0.00 O  
  
Duplicate atom serial number found: 49310  
Duplicate atom serial number found: 49312  
Duplicate atom serial number found: 49314  
Duplicate atom serial number found: 49316  
Duplicate atom serial number found: 49318  
Ignored bad PDB record found on line 160091  
ATOM 4931a OWS SOL W8196 -49.711 -33.928 32.483 1.00 0.00 O  
  
Ignored bad PDB record found on line 160092  
ATOM 4931c HWS SOL W8196 -50.420 -33.612 33.043 1.00 0.00 H  
  
Ignored bad PDB record found on line 160093  
ATOM 4931e HWS SOL W8196 -49.057 -34.270 33.093 1.00 0.00 H  
  
Duplicate atom serial number found: 49320  
Duplicate atom serial number found: 49322  
Duplicate atom serial number found: 49324  
Duplicate atom serial number found: 49326  
Duplicate atom serial number found: 49328  
Ignored bad PDB record found on line 160099  
ATOM 4932a HWS SOL W8198 -58.908 -48.502 39.213 1.00 0.00 H  
  
Ignored bad PDB record found on line 160100  
ATOM 4932c OWS SOL W8199 -39.204 -16.343 23.873 1.00 0.00 O  
  
Ignored bad PDB record found on line 160101  
ATOM 4932e HWS SOL W8199 -39.040 -15.923 24.718 1.00 0.00 H  
  
Duplicate atom serial number found: 49330  
Ignored bad PDB record found on line 160103  
ATOM 49332 OWS SOL W819a -68.083 -27.251 35.447 1.00 0.00 O  
  
Ignored bad PDB record found on line 160104  
ATOM 49334 HWS SOL W819a -67.133 -27.142 35.466 1.00 0.00 H  
  
Ignored bad PDB record found on line 160105  
ATOM 49336 HWS SOL W819a -68.270 -27.575 34.566 1.00 0.00 H  
  
Ignored bad PDB record found on line 160106  
ATOM 49338 OWS SOL W819b -46.322 -40.054 32.489 1.00 0.00 O  
  
Ignored bad PDB record found on line 160107  
ATOM 4933a HWS SOL W819b -45.408 -40.086 32.771 1.00 0.00 H  
  
298 messages similar to the above omitted  
Duplicate atom serial number found: 49590  
Duplicate atom serial number found: 49592  
Duplicate atom serial number found: 49594  
Duplicate atom serial number found: 49596  
Duplicate atom serial number found: 49598  
Ignored bad PDB record found on line 160411  
ATOM 4959a HWS SOL W8201 -34.775 -25.429 40.945 1.00 0.00 H  
  
Ignored bad PDB record found on line 160412  
ATOM 4959c OWS SOL W8202 -68.520 -29.410 37.571 1.00 0.00 O  
  
Ignored bad PDB record found on line 160413  
ATOM 4959e HWS SOL W8202 -69.134 -28.701 37.379 1.00 0.00 H  
  
Ignored bad PDB record found on line 160414  
ATOM 495a0 HWS SOL W8202 -69.063 -30.199 37.588 1.00 0.00 H  
  
Ignored bad PDB record found on line 160415  
ATOM 495a2 OWS SOL W8203 -53.212 -46.581 35.713 1.00 0.00 O  
  
46 messages similar to the above omitted  
Duplicate atom serial number found: 49600  
Duplicate atom serial number found: 49602  
Duplicate atom serial number found: 49604  
Duplicate atom serial number found: 49606  
Duplicate atom serial number found: 49608  
Ignored bad PDB record found on line 160467  
ATOM 4960a HWS SOL W8214 -59.463 -29.708 22.191 1.00 0.00 H  
  
Ignored bad PDB record found on line 160468  
ATOM 4960c HWS SOL W8214 -59.517 -28.306 22.760 1.00 0.00 H  
  
Ignored bad PDB record found on line 160469  
ATOM 4960e OWS SOL W8215 -42.525 -32.710 35.900 1.00 0.00 O  
  
Duplicate atom serial number found: 49610  
Duplicate atom serial number found: 49612  
Duplicate atom serial number found: 49614  
Duplicate atom serial number found: 49616  
Duplicate atom serial number found: 49618  
Ignored bad PDB record found on line 160475  
ATOM 4961a OWS SOL W8217 -82.102 -16.920 22.504 1.00 0.00 O  
  
Ignored bad PDB record found on line 160476  
ATOM 4961c HWS SOL W8217 -82.210 -17.850 22.304 1.00 0.00 H  
  
Ignored bad PDB record found on line 160477  
ATOM 4961e HWS SOL W8217 -82.797 -16.486 22.010 1.00 0.00 H  
  
Duplicate atom serial number found: 49620  
Duplicate atom serial number found: 49622  
Duplicate atom serial number found: 49624  
Duplicate atom serial number found: 49626  
Duplicate atom serial number found: 49628  
Ignored bad PDB record found on line 160483  
ATOM 4962a HWS SOL W8219 -63.107 -17.663 44.914 1.00 0.00 H  
  
Ignored bad PDB record found on line 160484  
ATOM 4962c OWS SOL W821a -70.142 -21.524 19.053 1.00 0.00 O  
  
Ignored bad PDB record found on line 160485  
ATOM 4962e HWS SOL W821a -69.670 -22.333 19.252 1.00 0.00 H  
  
Ignored bad PDB record found on line 160486  
ATOM 49630 HWS SOL W821a -69.705 -20.855 19.581 1.00 0.00 H  
  
Ignored bad PDB record found on line 160487  
ATOM 49632 OWS SOL W821b -44.478 -33.782 25.434 1.00 0.00 O  
  
14 messages similar to the above omitted  
Duplicate atom serial number found: 49650  
Duplicate atom serial number found: 49652  
Duplicate atom serial number found: 49654  
Duplicate atom serial number found: 49656  
Duplicate atom serial number found: 49658  
Ignored bad PDB record found on line 160507  
ATOM 4965a HWS SOL W8221 -35.113 -10.777 43.252 1.00 0.00 H  
  
Ignored bad PDB record found on line 160508  
ATOM 4965c OWS SOL W8222 -44.166 -30.560 17.874 1.00 0.00 O  
  
Ignored bad PDB record found on line 160509  
ATOM 4965e HWS SOL W8222 -44.285 -31.260 17.232 1.00 0.00 H  
  
Duplicate atom serial number found: 49660  
Duplicate atom serial number found: 49662  
Duplicate atom serial number found: 49664  
Duplicate atom serial number found: 49666  
Duplicate atom serial number found: 49668  
Ignored bad PDB record found on line 160515  
ATOM 4966a HWS SOL W8224 -66.113 -30.822 21.286 1.00 0.00 H  
  
Ignored bad PDB record found on line 160516  
ATOM 4966c HWS SOL W8224 -65.424 -30.727 19.941 1.00 0.00 H  
  
Ignored bad PDB record found on line 160517  
ATOM 4966e OWS SOL W8225 -39.853 -19.241 38.732 1.00 0.00 O  
  
Duplicate atom serial number found: 49670  
Duplicate atom serial number found: 49672  
Duplicate atom serial number found: 49674  
Duplicate atom serial number found: 49676  
Duplicate atom serial number found: 49678  
Ignored bad PDB record found on line 160523  
ATOM 4967a OWS SOL W8227 -66.205 -37.430 41.884 1.00 0.00 O  
  
Ignored bad PDB record found on line 160524  
ATOM 4967c HWS SOL W8227 -66.579 -36.636 42.266 1.00 0.00 H  
  
Ignored bad PDB record found on line 160525  
ATOM 4967e HWS SOL W8227 -66.435 -38.125 42.501 1.00 0.00 H  
  
Duplicate atom serial number found: 49680  
Duplicate atom serial number found: 49682  
Duplicate atom serial number found: 49684  
Duplicate atom serial number found: 49686  
Duplicate atom serial number found: 49688  
Ignored bad PDB record found on line 160531  
ATOM 4968a HWS SOL W8229 -50.759 -42.401 47.083 1.00 0.00 H  
  
Ignored bad PDB record found on line 160532  
ATOM 4968c OWS SOL W822a -53.367 -6.112 45.174 1.00 0.00 O  
  
Ignored bad PDB record found on line 160533  
ATOM 4968e HWS SOL W822a -53.445 -5.241 44.785 1.00 0.00 H  
  
Ignored bad PDB record found on line 160534  
ATOM 49690 HWS SOL W822a -53.711 -6.704 44.505 1.00 0.00 H  
  
Ignored bad PDB record found on line 160535  
ATOM 49692 OWS SOL W822b -47.427 -29.552 32.643 1.00 0.00 O  
  
62 messages similar to the above omitted  
Duplicate atom serial number found: 49710  
Duplicate atom serial number found: 49712  
Duplicate atom serial number found: 49714  
Duplicate atom serial number found: 49716  
Duplicate atom serial number found: 49718  
Ignored bad PDB record found on line 160603  
ATOM 4971a HWS SOL W8241 -44.351 -36.827 20.234 1.00 0.00 H  
  
Ignored bad PDB record found on line 160604  
ATOM 4971c OWS SOL W8242 -61.420 -14.353 37.777 1.00 0.00 O  
  
Ignored bad PDB record found on line 160605  
ATOM 4971e HWS SOL W8242 -61.397 -13.751 37.033 1.00 0.00 H  
  
Duplicate atom serial number found: 49720  
Duplicate atom serial number found: 49722  
Duplicate atom serial number found: 49724  
Duplicate atom serial number found: 49726  
Duplicate atom serial number found: 49728  
Ignored bad PDB record found on line 160611  
ATOM 4972a HWS SOL W8244 -51.104 -45.706 28.740 1.00 0.00 H  
  
Ignored bad PDB record found on line 160612  
ATOM 4972c HWS SOL W8244 -50.000 -46.062 29.712 1.00 0.00 H  
  
Ignored bad PDB record found on line 160613  
ATOM 4972e OWS SOL W8245 -73.965 -27.362 24.964 1.00 0.00 O  
  
Duplicate atom serial number found: 49730  
Duplicate atom serial number found: 49732  
Duplicate atom serial number found: 49734  
Duplicate atom serial number found: 49736  
Duplicate atom serial number found: 49738  
Ignored bad PDB record found on line 160619  
ATOM 4973a OWS SOL W8247 -47.652 -23.045 54.823 1.00 0.00 O  
  
Ignored bad PDB record found on line 160620  
ATOM 4973c HWS SOL W8247 -48.227 -23.495 54.205 1.00 0.00 H  
  
Ignored bad PDB record found on line 160621  
ATOM 4973e HWS SOL W8247 -47.801 -22.114 54.656 1.00 0.00 H  
  
Duplicate atom serial number found: 49740  
Duplicate atom serial number found: 49742  
Duplicate atom serial number found: 49744  
Duplicate atom serial number found: 49746  
Duplicate atom serial number found: 49748  
Ignored bad PDB record found on line 160627  
ATOM 4974a HWS SOL W8249 -50.122 -16.526 22.891 1.00 0.00 H  
  
Ignored bad PDB record found on line 160628  
ATOM 4974c OWS SOL W824a -51.598 -37.663 38.334 1.00 0.00 O  
  
Ignored bad PDB record found on line 160629  
ATOM 4974e HWS SOL W824a -52.393 -37.319 38.742 1.00 0.00 H  
  
Ignored bad PDB record found on line 160630  
ATOM 49750 HWS SOL W824a -51.372 -38.431 38.858 1.00 0.00 H  
  
Ignored bad PDB record found on line 160631  
ATOM 49752 OWS SOL W824b -53.706 -3.756 25.820 1.00 0.00 O  
  
14 messages similar to the above omitted  
Duplicate atom serial number found: 49770  
Duplicate atom serial number found: 49772  
Duplicate atom serial number found: 49774  
Duplicate atom serial number found: 49776  
Duplicate atom serial number found: 49778  
Ignored bad PDB record found on line 160651  
ATOM 4977a HWS SOL W8251 -47.902 -37.755 7.732 1.00 0.00 H  
  
Ignored bad PDB record found on line 160652  
ATOM 4977c OWS SOL W8252 -54.716 -37.511 29.799 1.00 0.00 O  
  
Ignored bad PDB record found on line 160653  
ATOM 4977e HWS SOL W8252 -53.789 -37.713 29.930 1.00 0.00 H  
  
Duplicate atom serial number found: 49780  
Duplicate atom serial number found: 49782  
Duplicate atom serial number found: 49784  
Duplicate atom serial number found: 49786  
Duplicate atom serial number found: 49788  
Ignored bad PDB record found on line 160659  
ATOM 4978a HWS SOL W8254 -56.653 -37.519 44.184 1.00 0.00 H  
  
Ignored bad PDB record found on line 160660  
ATOM 4978c HWS SOL W8254 -56.526 -37.188 45.656 1.00 0.00 H  
  
Ignored bad PDB record found on line 160661  
ATOM 4978e OWS SOL W8255 -79.676 -30.796 45.271 1.00 0.00 O  
  
Duplicate atom serial number found: 49790  
Duplicate atom serial number found: 49792  
Duplicate atom serial number found: 49794  
Duplicate atom serial number found: 49796  
Duplicate atom serial number found: 49798  
Ignored bad PDB record found on line 160667  
ATOM 4979a OWS SOL W8257 -41.883 -32.065 40.349 1.00 0.00 O  
  
Ignored bad PDB record found on line 160668  
ATOM 4979c HWS SOL W8257 -41.014 -32.426 40.172 1.00 0.00 H  
  
Ignored bad PDB record found on line 160669  
ATOM 4979e HWS SOL W8257 -41.816 -31.144 40.095 1.00 0.00 H  
  
Ignored bad PDB record found on line 160670  
ATOM 497a0 OWS SOL W8258 -40.869 -25.973 30.226 1.00 0.00 O  
  
Ignored bad PDB record found on line 160671  
ATOM 497a2 HWS SOL W8258 -41.485 -25.243 30.291 1.00 0.00 H  
  
46 messages similar to the above omitted  
Duplicate atom serial number found: 49800  
Duplicate atom serial number found: 49802  
Duplicate atom serial number found: 49804  
Duplicate atom serial number found: 49806  
Duplicate atom serial number found: 49808  
Ignored bad PDB record found on line 160723  
ATOM 4980a HWS SOL W8269 -71.548 -49.063 14.528 1.00 0.00 H  
  
Ignored bad PDB record found on line 160724  
ATOM 4980c OWS SOL W826a -52.558 -12.379 37.071 1.00 0.00 O  
  
Ignored bad PDB record found on line 160725  
ATOM 4980e HWS SOL W826a -52.421 -12.827 37.905 1.00 0.00 H  
  
Ignored bad PDB record found on line 160726  
ATOM 49810 HWS SOL W826a -51.910 -12.765 36.482 1.00 0.00 H  
  
Ignored bad PDB record found on line 160727  
ATOM 49812 OWS SOL W826b -64.520 -14.753 32.466 1.00 0.00 O  
  
14 messages similar to the above omitted  
Duplicate atom serial number found: 49830  
Duplicate atom serial number found: 49832  
Duplicate atom serial number found: 49834  
Duplicate atom serial number found: 49836  
Duplicate atom serial number found: 49838  
Ignored bad PDB record found on line 160747  
ATOM 4983a HWS SOL W8271 -43.162 -24.078 29.453 1.00 0.00 H  
  
Ignored bad PDB record found on line 160748  
ATOM 4983c OWS SOL W8272 -51.108 -39.809 40.148 1.00 0.00 O  
  
Ignored bad PDB record found on line 160749  
ATOM 4983e HWS SOL W8272 -50.651 -39.269 40.793 1.00 0.00 H  
  
Duplicate atom serial number found: 49840  
Duplicate atom serial number found: 49842  
Duplicate atom serial number found: 49844  
Duplicate atom serial number found: 49846  
Duplicate atom serial number found: 49848  
Ignored bad PDB record found on line 160755  
ATOM 4984a HWS SOL W8274 -50.139 -36.665 34.208 1.00 0.00 H  
  
Ignored bad PDB record found on line 160756  
ATOM 4984c HWS SOL W8274 -49.503 -35.418 34.786 1.00 0.00 H  
  
Ignored bad PDB record found on line 160757  
ATOM 4984e OWS SOL W8275 -54.223 -42.503 39.282 1.00 0.00 O  
  
Duplicate atom serial number found: 49850  
Duplicate atom serial number found: 49852  
Duplicate atom serial number found: 49854  
Duplicate atom serial number found: 49856  
Duplicate atom serial number found: 49858  
Ignored bad PDB record found on line 160763  
ATOM 4985a OWS SOL W8277 -49.864 -30.764 32.816 1.00 0.00 O  
  
Ignored bad PDB record found on line 160764  
ATOM 4985c HWS SOL W8277 -50.407 -31.242 33.443 1.00 0.00 H  
  
Ignored bad PDB record found on line 160765  
ATOM 4985e HWS SOL W8277 -50.089 -31.143 31.966 1.00 0.00 H  
  
Duplicate atom serial number found: 49860  
Duplicate atom serial number found: 49862  
Duplicate atom serial number found: 49864  
Duplicate atom serial number found: 49866  
Duplicate atom serial number found: 49868  
Ignored bad PDB record found on line 160771  
ATOM 4986a HWS SOL W8279 -68.428 -20.504 40.099 1.00 0.00 H  
  
Ignored bad PDB record found on line 160772  
ATOM 4986c OWS SOL W827a -56.903 -26.678 39.948 1.00 0.00 O  
  
Ignored bad PDB record found on line 160773  
ATOM 4986e HWS SOL W827a -57.047 -27.121 40.785 1.00 0.00 H  
  
Ignored bad PDB record found on line 160774  
ATOM 49870 HWS SOL W827a -56.021 -26.314 40.017 1.00 0.00 H  
  
Ignored bad PDB record found on line 160775  
ATOM 49872 OWS SOL W827b -49.527 -21.571 34.571 1.00 0.00 O  
  
14 messages similar to the above omitted  
Duplicate atom serial number found: 49890  
Duplicate atom serial number found: 49892  
Duplicate atom serial number found: 49894  
Duplicate atom serial number found: 49896  
Duplicate atom serial number found: 49898  
Ignored bad PDB record found on line 160795  
ATOM 4989a HWS SOL W8281 -43.467 -23.797 35.654 1.00 0.00 H  
  
Ignored bad PDB record found on line 160796  
ATOM 4989c OWS SOL W8282 -63.580 -37.978 43.079 1.00 0.00 O  
  
Ignored bad PDB record found on line 160797  
ATOM 4989e HWS SOL W8282 -62.764 -38.466 42.966 1.00 0.00 H  
  
Ignored bad PDB record found on line 160798  
ATOM 498a0 HWS SOL W8282 -63.942 -37.906 42.196 1.00 0.00 H  
  
Ignored bad PDB record found on line 160799  
ATOM 498a2 OWS SOL W8283 -45.081 -34.193 19.690 1.00 0.00 O  
  
46 messages similar to the above omitted  
Duplicate atom serial number found: 49900  
Duplicate atom serial number found: 49902  
Duplicate atom serial number found: 49904  
Duplicate atom serial number found: 49906  
Duplicate atom serial number found: 49908  
Ignored bad PDB record found on line 160851  
ATOM 4990a HWS SOL W8294 -29.728 -24.365 39.015 1.00 0.00 H  
  
Ignored bad PDB record found on line 160852  
ATOM 4990c HWS SOL W8294 -30.256 -25.770 38.819 1.00 0.00 H  
  
Ignored bad PDB record found on line 160853  
ATOM 4990e OWS SOL W8295 89.462 -20.223 29.281 1.00 0.00 O  
  
Duplicate atom serial number found: 49910  
Duplicate atom serial number found: 49912  
Duplicate atom serial number found: 49914  
Duplicate atom serial number found: 49916  
Duplicate atom serial number found: 49918  
Ignored bad PDB record found on line 160859  
ATOM 4991a OWS SOL W8297 -73.604 -34.523 30.043 1.00 0.00 O  
  
Ignored bad PDB record found on line 160860  
ATOM 4991c HWS SOL W8297 -74.078 -34.786 30.833 1.00 0.00 H  
  
Ignored bad PDB record found on line 160861  
ATOM 4991e HWS SOL W8297 -74.281 -34.183 29.459 1.00 0.00 H  
  
Duplicate atom serial number found: 49920  
Duplicate atom serial number found: 49922  
Duplicate atom serial number found: 49924  
Duplicate atom serial number found: 49926  
Duplicate atom serial number found: 49928  
Ignored bad PDB record found on line 160867  
ATOM 4992a HWS SOL W8299 -53.560 -45.850 59.983 1.00 0.00 H  
  
Ignored bad PDB record found on line 160868  
ATOM 4992c OWS SOL W829a -61.122 2.831 27.336 1.00 0.00 O  
  
Ignored bad PDB record found on line 160869  
ATOM 4992e HWS SOL W829a -61.252 1.893 27.476 1.00 0.00 H  
  
Ignored bad PDB record found on line 160870  
ATOM 49930 HWS SOL W829a -61.224 2.949 26.392 1.00 0.00 H  
  
Ignored bad PDB record found on line 160871  
ATOM 49932 OWS SOL W829b -75.285 -6.545 19.219 1.00 0.00 O  
  
13286 messages similar to the above omitted  
Duplicate atom serial number found: 50100  
Duplicate atom serial number found: 50102  
Duplicate atom serial number found: 50104  
Duplicate atom serial number found: 50106  
Duplicate atom serial number found: 50108  
Ignored bad PDB record found on line 174163  
ATOM 5010a HWS SOL W9403 -46.406 3.646 8.272 1.00 0.00 H  
  
Ignored bad PDB record found on line 174164  
ATOM 5010c OWS SOL W9404 -51.263 -9.533 23.583 1.00 0.00 O  
  
Ignored bad PDB record found on line 174165  
ATOM 5010e HWS SOL W9404 -52.195 -9.746 23.539 1.00 0.00 H  
  
Duplicate atom serial number found: 50110  
Duplicate atom serial number found: 50112  
Duplicate atom serial number found: 50114  
Duplicate atom serial number found: 50116  
Duplicate atom serial number found: 50118  
Ignored bad PDB record found on line 174171  
ATOM 5011a HWS SOL W9406 -52.607 4.323 7.005 1.00 0.00 H  
  
Ignored bad PDB record found on line 174172  
ATOM 5011c HWS SOL W9406 -51.344 4.015 7.781 1.00 0.00 H  
  
Ignored bad PDB record found on line 174173  
ATOM 5011e OWS SOL W9407 -54.005 8.191 38.867 1.00 0.00 O  
  
Duplicate atom serial number found: 50120  
Duplicate atom serial number found: 50122  
Duplicate atom serial number found: 50124  
Duplicate atom serial number found: 50126  
Duplicate atom serial number found: 50128  
Ignored bad PDB record found on line 174179  
ATOM 5012a OWS SOL W9409 -46.934 4.380 24.690 1.00 0.00 O  
  
Ignored bad PDB record found on line 174180  
ATOM 5012c HWS SOL W9409 -47.430 4.947 24.099 1.00 0.00 H  
  
Ignored bad PDB record found on line 174181  
ATOM 5012e HWS SOL W9409 -46.265 3.981 24.134 1.00 0.00 H  
  
Ignored bad PDB record found on line 174182  
ATOM 50130 OWS SOL W940a -78.422 6.035 28.681 1.00 0.00 O  
  
Ignored bad PDB record found on line 174183  
ATOM 50132 HWS SOL W940a -77.736 6.702 28.716 1.00 0.00 H  
  
16 messages similar to the above omitted  
Duplicate atom serial number found: 50154  
Duplicate atom serial number found: 50156  
Duplicate atom serial number found: 50158  
Ignored bad PDB record found on line 174203  
ATOM 5015a OWS SOL W9411 -67.369 1.359 33.108 1.00 0.00 O  
  
Ignored bad PDB record found on line 174204  
ATOM 5015c HWS SOL W9411 -67.855 2.153 32.888 1.00 0.00 H  
  
Ignored bad PDB record found on line 174205  
ATOM 5015e HWS SOL W9411 -66.449 1.617 33.054 1.00 0.00 H  
  
Duplicate atom serial number found: 50160  
Duplicate atom serial number found: 50162  
Duplicate atom serial number found: 50164  
Duplicate atom serial number found: 50166  
Duplicate atom serial number found: 50168  
Ignored bad PDB record found on line 174211  
ATOM 5016a HWS SOL W9413 -43.347 2.486 37.381 1.00 0.00 H  
  
Ignored bad PDB record found on line 174212  
ATOM 5016c OWS SOL W9414 -48.503 -2.211 24.676 1.00 0.00 O  
  
Ignored bad PDB record found on line 174213  
ATOM 5016e HWS SOL W9414 -48.696 -3.047 24.251 1.00 0.00 H  
  
Duplicate atom serial number found: 50170  
Duplicate atom serial number found: 50172  
Duplicate atom serial number found: 50174  
Duplicate atom serial number found: 50176  
Duplicate atom serial number found: 50178  
Ignored bad PDB record found on line 174219  
ATOM 5017a HWS SOL W9416 -62.362 -0.906 37.307 1.00 0.00 H  
  
Ignored bad PDB record found on line 174220  
ATOM 5017c HWS SOL W9416 -63.434 -1.846 36.798 1.00 0.00 H  
  
Ignored bad PDB record found on line 174221  
ATOM 5017e OWS SOL W9417 -51.126 -4.603 53.416 1.00 0.00 O  
  
Duplicate atom serial number found: 50180  
Duplicate atom serial number found: 50182  
Duplicate atom serial number found: 50184  
Duplicate atom serial number found: 50186  
Duplicate atom serial number found: 50188  
Ignored bad PDB record found on line 174227  
ATOM 5018a OWS SOL W9419 -53.270 14.456 35.381 1.00 0.00 O  
  
Ignored bad PDB record found on line 174228  
ATOM 5018c HWS SOL W9419 -53.535 13.856 34.685 1.00 0.00 H  
  
Ignored bad PDB record found on line 174229  
ATOM 5018e HWS SOL W9419 -52.345 14.258 35.530 1.00 0.00 H  
  
Ignored bad PDB record found on line 174230  
ATOM 50190 OWS SOL W941a -50.591 1.906 43.337 1.00 0.00 O  
  
Ignored bad PDB record found on line 174231  
ATOM 50192 HWS SOL W941a -51.222 1.579 42.697 1.00 0.00 H  
  
64 messages similar to the above omitted  
Duplicate atom serial number found: 50214  
Duplicate atom serial number found: 50216  
Duplicate atom serial number found: 50218  
Ignored bad PDB record found on line 174299  
ATOM 5021a OWS SOL W9431 -32.490 20.379 8.175 1.00 0.00 O  
  
Ignored bad PDB record found on line 174300  
ATOM 5021c HWS SOL W9431 -32.377 19.817 8.942 1.00 0.00 H  
  
Ignored bad PDB record found on line 174301  
ATOM 5021e HWS SOL W9431 -33.128 19.918 7.631 1.00 0.00 H  
  
Duplicate atom serial number found: 50220  
Duplicate atom serial number found: 50222  
Duplicate atom serial number found: 50224  
Duplicate atom serial number found: 50226  
Duplicate atom serial number found: 50228  
Ignored bad PDB record found on line 174307  
ATOM 5022a HWS SOL W9433 -57.528 -4.004 27.336 1.00 0.00 H  
  
Ignored bad PDB record found on line 174308  
ATOM 5022c OWS SOL W9434 -49.360 0.544 30.080 1.00 0.00 O  
  
Ignored bad PDB record found on line 174309  
ATOM 5022e HWS SOL W9434 -49.156 0.756 30.990 1.00 0.00 H  
  
Duplicate atom serial number found: 50230  
Duplicate atom serial number found: 50232  
Duplicate atom serial number found: 50234  
Duplicate atom serial number found: 50236  
Duplicate atom serial number found: 50238  
Ignored bad PDB record found on line 174315  
ATOM 5023a HWS SOL W9436 -63.589 23.510 41.450 1.00 0.00 H  
  
Ignored bad PDB record found on line 174316  
ATOM 5023c HWS SOL W9436 -64.084 23.305 42.866 1.00 0.00 H  
  
Ignored bad PDB record found on line 174317  
ATOM 5023e OWS SOL W9437 -57.247 13.377 40.380 1.00 0.00 O  
  
Duplicate atom serial number found: 50240  
Duplicate atom serial number found: 50242  
Duplicate atom serial number found: 50244  
Duplicate atom serial number found: 50246  
Duplicate atom serial number found: 50248  
Ignored bad PDB record found on line 174323  
ATOM 5024a OWS SOL W9439 -45.937 33.252 18.862 1.00 0.00 O  
  
Ignored bad PDB record found on line 174324  
ATOM 5024c HWS SOL W9439 -46.282 34.077 18.521 1.00 0.00 H  
  
Ignored bad PDB record found on line 174325  
ATOM 5024e HWS SOL W9439 -44.989 33.321 18.742 1.00 0.00 H  
  
Ignored bad PDB record found on line 174326  
ATOM 50250 OWS SOL W943a -52.865 21.624 42.958 1.00 0.00 O  
  
Ignored bad PDB record found on line 174327  
ATOM 50252 HWS SOL W943a -52.168 21.288 42.394 1.00 0.00 H  
  
16 messages similar to the above omitted  
Duplicate atom serial number found: 50274  
Duplicate atom serial number found: 50276  
Duplicate atom serial number found: 50278  
Ignored bad PDB record found on line 174347  
ATOM 5027a OWS SOL W9441 -71.562 13.415 31.480 1.00 0.00 O  
  
Ignored bad PDB record found on line 174348  
ATOM 5027c HWS SOL W9441 -71.473 14.102 32.139 1.00 0.00 H  
  
Ignored bad PDB record found on line 174349  
ATOM 5027e HWS SOL W9441 -72.255 13.729 30.898 1.00 0.00 H  
  
Duplicate atom serial number found: 50280  
Duplicate atom serial number found: 50282  
Duplicate atom serial number found: 50284  
Duplicate atom serial number found: 50286  
Duplicate atom serial number found: 50288  
Ignored bad PDB record found on line 174355  
ATOM 5028a HWS SOL W9444 -58.474 -16.081 32.541 1.00 0.00 H  
  
Ignored bad PDB record found on line 174356  
ATOM 5028c OWS SOL W9445 -52.599 19.644 18.019 1.00 0.00 O  
  
Ignored bad PDB record found on line 174357  
ATOM 5028e HWS SOL W9445 -52.686 18.785 18.434 1.00 0.00 H  
  
Duplicate atom serial number found: 50290  
Duplicate atom serial number found: 50292  
Duplicate atom serial number found: 50294  
Duplicate atom serial number found: 50296  
Duplicate atom serial number found: 50298  
Ignored bad PDB record found on line 174363  
ATOM 5029a HWS SOL W9447 -46.241 2.419 34.024 1.00 0.00 H  
  
Ignored bad PDB record found on line 174364  
ATOM 5029c HWS SOL W9447 -46.210 0.923 33.791 1.00 0.00 H  
  
Ignored bad PDB record found on line 174365  
ATOM 5029e OWS SOL W9448 -41.545 1.367 47.592 1.00 0.00 O  
  
Ignored bad PDB record found on line 174366  
ATOM 502a0 HWS SOL W9448 -40.975 1.468 48.354 1.00 0.00 H  
  
Ignored bad PDB record found on line 174367  
ATOM 502a2 HWS SOL W9448 -41.571 0.423 47.435 1.00 0.00 H  
  
46 messages similar to the above omitted  
Duplicate atom serial number found: 50300  
Duplicate atom serial number found: 50302  
Duplicate atom serial number found: 50304  
Duplicate atom serial number found: 50306  
Duplicate atom serial number found: 50308  
Ignored bad PDB record found on line 174419  
ATOM 5030a OWS SOL W945a -69.788 16.131 46.834 1.00 0.00 O  
  
Ignored bad PDB record found on line 174420  
ATOM 5030c HWS SOL W945a -70.238 16.915 47.148 1.00 0.00 H  
  
Ignored bad PDB record found on line 174421  
ATOM 5030e HWS SOL W945a -70.326 15.404 47.148 1.00 0.00 H  
  
Ignored bad PDB record found on line 174422  
ATOM 50310 OWS SOL W945b -71.965 16.219 44.298 1.00 0.00 O  
  
Ignored bad PDB record found on line 174423  
ATOM 50312 HWS SOL W945b -72.212 15.520 43.694 1.00 0.00 H  
  
14 messages similar to the above omitted  
Duplicate atom serial number found: 50330  
Duplicate atom serial number found: 50332  
Duplicate atom serial number found: 50334  
Duplicate atom serial number found: 50336  
Duplicate atom serial number found: 50338  
Ignored bad PDB record found on line 174443  
ATOM 5033a OWS SOL W9462 -64.476 22.760 39.853 1.00 0.00 O  
  
Ignored bad PDB record found on line 174444  
ATOM 5033c HWS SOL W9462 -64.746 22.427 38.998 1.00 0.00 H  
  
Ignored bad PDB record found on line 174445  
ATOM 5033e HWS SOL W9462 -64.232 21.979 40.349 1.00 0.00 H  
  
Duplicate atom serial number found: 50340  
Duplicate atom serial number found: 50342  
Duplicate atom serial number found: 50344  
Duplicate atom serial number found: 50346  
Duplicate atom serial number found: 50348  
Ignored bad PDB record found on line 174451  
ATOM 5034a HWS SOL W9464 -58.080 -11.957 23.109 1.00 0.00 H  
  
Ignored bad PDB record found on line 174452  
ATOM 5034c OWS SOL W9465 -66.918 0.915 16.002 1.00 0.00 O  
  
Ignored bad PDB record found on line 174453  
ATOM 5034e HWS SOL W9465 -67.193 0.128 15.533 1.00 0.00 H  
  
Duplicate atom serial number found: 50350  
Duplicate atom serial number found: 50352  
Duplicate atom serial number found: 50354  
Duplicate atom serial number found: 50356  
Duplicate atom serial number found: 50358  
Ignored bad PDB record found on line 174459  
ATOM 5035a HWS SOL W9467 -48.042 7.536 50.398 1.00 0.00 H  
  
Ignored bad PDB record found on line 174460  
ATOM 5035c HWS SOL W9467 -48.116 7.722 48.898 1.00 0.00 H  
  
Ignored bad PDB record found on line 174461  
ATOM 5035e OWS SOL W9468 -51.247 -16.886 48.612 1.00 0.00 O  
  
Duplicate atom serial number found: 50360  
Duplicate atom serial number found: 50362  
Duplicate atom serial number found: 50364  
Duplicate atom serial number found: 50366  
Duplicate atom serial number found: 50368  
Ignored bad PDB record found on line 174467  
ATOM 5036a OWS SOL W946a -27.801 -5.395 47.947 1.00 0.00 O  
  
Ignored bad PDB record found on line 174468  
ATOM 5036c HWS SOL W946a -27.968 -4.862 47.169 1.00 0.00 H  
  
Ignored bad PDB record found on line 174469  
ATOM 5036e HWS SOL W946a -26.878 -5.239 48.151 1.00 0.00 H  
  
Ignored bad PDB record found on line 174470  
ATOM 50370 OWS SOL W946b -55.418 17.276 36.350 1.00 0.00 O  
  
Ignored bad PDB record found on line 174471  
ATOM 50372 HWS SOL W946b -54.835 17.684 35.710 1.00 0.00 H  
  
14 messages similar to the above omitted  
Duplicate atom serial number found: 50390  
Duplicate atom serial number found: 50392  
Duplicate atom serial number found: 50394  
Duplicate atom serial number found: 50396  
Duplicate atom serial number found: 50398  
Ignored bad PDB record found on line 174491  
ATOM 5039a OWS SOL W9472 -73.607 1.122 41.562 1.00 0.00 O  
  
Ignored bad PDB record found on line 174492  
ATOM 5039c HWS SOL W9472 -74.266 1.787 41.759 1.00 0.00 H  
  
Ignored bad PDB record found on line 174493  
ATOM 5039e HWS SOL W9472 -72.807 1.446 41.977 1.00 0.00 H  
  
Ignored bad PDB record found on line 174494  
ATOM 503a0 OWS SOL W9473 -70.469 22.114 18.487 1.00 0.00 O  
  
Ignored bad PDB record found on line 174495  
ATOM 503a2 HWS SOL W9473 -70.497 21.548 17.716 1.00 0.00 H  
  
46 messages similar to the above omitted  
Duplicate atom serial number found: 50400  
Duplicate atom serial number found: 50402  
Duplicate atom serial number found: 50404  
Duplicate atom serial number found: 50406  
Duplicate atom serial number found: 50408  
Ignored bad PDB record found on line 174547  
ATOM 5040a HWS SOL W9484 -48.437 15.207 62.497 1.00 0.00 H  
  
Ignored bad PDB record found on line 174548  
ATOM 5040c OWS SOL W9485 -66.063 21.697 27.042 1.00 0.00 O  
  
Ignored bad PDB record found on line 174549  
ATOM 5040e HWS SOL W9485 -66.757 21.184 26.627 1.00 0.00 H  
  
Duplicate atom serial number found: 50410  
Duplicate atom serial number found: 50412  
Duplicate atom serial number found: 50414  
Duplicate atom serial number found: 50416  
Duplicate atom serial number found: 50418  
Ignored bad PDB record found on line 174555  
ATOM 5041a HWS SOL W9487 -46.692 -6.532 41.631 1.00 0.00 H  
  
Ignored bad PDB record found on line 174556  
ATOM 5041c HWS SOL W9487 -45.616 -6.812 40.603 1.00 0.00 H  
  
Ignored bad PDB record found on line 174557  
ATOM 5041e OWS SOL W9488 -52.084 -10.659 41.987 1.00 0.00 O  
  
Duplicate atom serial number found: 50420  
Duplicate atom serial number found: 50422  
Duplicate atom serial number found: 50424  
Duplicate atom serial number found: 50426  
Duplicate atom serial number found: 50428  
Ignored bad PDB record found on line 174563  
ATOM 5042a OWS SOL W948a -64.525 -1.234 39.404 1.00 0.00 O  
  
Ignored bad PDB record found on line 174564  
ATOM 5042c HWS SOL W948a -63.577 -1.284 39.283 1.00 0.00 H  
  
Ignored bad PDB record found on line 174565  
ATOM 5042e HWS SOL W948a -64.756 -2.059 39.831 1.00 0.00 H  
  
Ignored bad PDB record found on line 174566  
ATOM 50430 OWS SOL W948b -49.397 2.967 24.251 1.00 0.00 O  
  
Ignored bad PDB record found on line 174567  
ATOM 50432 HWS SOL W948b -48.504 3.186 24.520 1.00 0.00 H  
  
14 messages similar to the above omitted  
Duplicate atom serial number found: 50450  
Duplicate atom serial number found: 50452  
Duplicate atom serial number found: 50454  
Duplicate atom serial number found: 50456  
Duplicate atom serial number found: 50458  
Ignored bad PDB record found on line 174587  
ATOM 5045a OWS SOL W9492 -42.406 -13.949 24.128 1.00 0.00 O  
  
Ignored bad PDB record found on line 174588  
ATOM 5045c HWS SOL W9492 -42.337 -14.375 24.983 1.00 0.00 H  
  
Ignored bad PDB record found on line 174589  
ATOM 5045e HWS SOL W9492 -41.503 -13.739 23.891 1.00 0.00 H  
  
Duplicate atom serial number found: 50460  
Duplicate atom serial number found: 50462  
Duplicate atom serial number found: 50464  
Duplicate atom serial number found: 50466  
Duplicate atom serial number found: 50468  
Ignored bad PDB record found on line 174595  
ATOM 5046a HWS SOL W9494 -50.481 -9.600 11.782 1.00 0.00 H  
  
Ignored bad PDB record found on line 174596  
ATOM 5046c OWS SOL W9495 -38.148 8.926 13.931 1.00 0.00 O  
  
Ignored bad PDB record found on line 174597  
ATOM 5046e HWS SOL W9495 -38.163 8.784 14.877 1.00 0.00 H  
  
Duplicate atom serial number found: 50470  
Duplicate atom serial number found: 50472  
Duplicate atom serial number found: 50474  
Duplicate atom serial number found: 50476  
Duplicate atom serial number found: 50478  
Ignored bad PDB record found on line 174603  
ATOM 5047a HWS SOL W9497 -53.249 22.823 39.293 1.00 0.00 H  
  
Ignored bad PDB record found on line 174604  
ATOM 5047c HWS SOL W9497 -54.221 21.685 39.064 1.00 0.00 H  
  
Ignored bad PDB record found on line 174605  
ATOM 5047e OWS SOL W9498 -54.855 13.720 37.523 1.00 0.00 O  
  
Duplicate atom serial number found: 50480  
Duplicate atom serial number found: 50482  
Duplicate atom serial number found: 50484  
Duplicate atom serial number found: 50486  
Duplicate atom serial number found: 50488  
Ignored bad PDB record found on line 174611  
ATOM 5048a OWS SOL W949a -46.665 0.700 39.964 1.00 0.00 O  
  
Ignored bad PDB record found on line 174612  
ATOM 5048c HWS SOL W949a -46.938 1.222 39.210 1.00 0.00 H  
  
Ignored bad PDB record found on line 174613  
ATOM 5048e HWS SOL W949a -46.196 -0.043 39.585 1.00 0.00 H  
  
Ignored bad PDB record found on line 174614  
ATOM 50490 OWS SOL W949b -51.795 13.132 46.890 1.00 0.00 O  
  
Ignored bad PDB record found on line 174615  
ATOM 50492 HWS SOL W949b -51.523 12.277 47.225 1.00 0.00 H  
  
310 messages similar to the above omitted  
Duplicate atom serial number found: 50700  
Duplicate atom serial number found: 50702  
Duplicate atom serial number found: 50704  
Duplicate atom serial number found: 50706  
Duplicate atom serial number found: 50708  
Ignored bad PDB record found on line 174931  
ATOM 5070a HWS SOL W9505 -70.516 31.807 60.757 1.00 0.00 H  
  
Ignored bad PDB record found on line 174932  
ATOM 5070c OWS SOL W9506 -73.404 24.830 30.510 1.00 0.00 O  
  
Ignored bad PDB record found on line 174933  
ATOM 5070e HWS SOL W9506 -72.711 25.395 30.170 1.00 0.00 H  
  
Duplicate atom serial number found: 50710  
Duplicate atom serial number found: 50712  
Duplicate atom serial number found: 50714  
Duplicate atom serial number found: 50716  
Duplicate atom serial number found: 50718  
Ignored bad PDB record found on line 174939  
ATOM 5071a HWS SOL W9508 -48.688 15.956 45.925 1.00 0.00 H  
  
Ignored bad PDB record found on line 174940  
ATOM 5071c HWS SOL W9508 -48.020 15.084 46.967 1.00 0.00 H  
  
Ignored bad PDB record found on line 174941  
ATOM 5071e OWS SOL W9509 -54.155 -8.341 35.361 1.00 0.00 O  
  
Duplicate atom serial number found: 50720  
Duplicate atom serial number found: 50722  
Ignored bad PDB record found on line 174944  
ATOM 50724 OWS SOL W950a -52.326 17.302 73.237 1.00 0.00 O  
  
Ignored bad PDB record found on line 174945  
ATOM 50726 HWS SOL W950a -51.836 16.874 73.939 1.00 0.00 H  
  
Ignored bad PDB record found on line 174946  
ATOM 50728 HWS SOL W950a -52.665 18.104 73.635 1.00 0.00 H  
  
Ignored bad PDB record found on line 174947  
ATOM 5072a OWS SOL W950b -74.209 -6.776 31.582 1.00 0.00 O  
  
Ignored bad PDB record found on line 174948  
ATOM 5072c HWS SOL W950b -73.967 -7.701 31.533 1.00 0.00 H  
  
13 messages similar to the above omitted  
Duplicate atom serial number found: 50748  
Ignored bad PDB record found on line 174963  
ATOM 5074a HWS SOL W9510 -40.087 15.579 56.356 1.00 0.00 H  
  
Ignored bad PDB record found on line 174964  
ATOM 5074c HWS SOL W9510 -40.582 16.621 57.336 1.00 0.00 H  
  
Ignored bad PDB record found on line 174965  
ATOM 5074e OWS SOL W9511 -71.912 -12.307 52.024 1.00 0.00 O  
  
Duplicate atom serial number found: 50750  
Duplicate atom serial number found: 50752  
Duplicate atom serial number found: 50754  
Duplicate atom serial number found: 50756  
Duplicate atom serial number found: 50758  
Ignored bad PDB record found on line 174971  
ATOM 5075a OWS SOL W9513 -84.713 -8.429 45.030 1.00 0.00 O  
  
Ignored bad PDB record found on line 174972  
ATOM 5075c HWS SOL W9513 -85.634 -8.219 45.186 1.00 0.00 H  
  
Ignored bad PDB record found on line 174973  
ATOM 5075e HWS SOL W9513 -84.375 -7.678 44.542 1.00 0.00 H  
  
Duplicate atom serial number found: 50760  
Duplicate atom serial number found: 50762  
Duplicate atom serial number found: 50764  
Duplicate atom serial number found: 50766  
Duplicate atom serial number found: 50768  
Ignored bad PDB record found on line 174979  
ATOM 5076a HWS SOL W9515 -50.911 8.947 63.446 1.00 0.00 H  
  
Ignored bad PDB record found on line 174980  
ATOM 5076c OWS SOL W9516 -51.797 -29.540 54.413 1.00 0.00 O  
  
Ignored bad PDB record found on line 174981  
ATOM 5076e HWS SOL W9516 -51.653 -30.453 54.662 1.00 0.00 H  
  
Duplicate atom serial number found: 50770  
Duplicate atom serial number found: 50772  
Duplicate atom serial number found: 50774  
Duplicate atom serial number found: 50776  
Duplicate atom serial number found: 50778  
Ignored bad PDB record found on line 174987  
ATOM 5077a HWS SOL W9519 -64.882 3.696 41.110 1.00 0.00 H  
  
Ignored bad PDB record found on line 174988  
ATOM 5077c HWS SOL W9519 -64.607 5.032 41.769 1.00 0.00 H  
  
Ignored bad PDB record found on line 174989  
ATOM 5077e OWS SOL W951a -44.064 9.067 69.755 1.00 0.00 O  
  
Ignored bad PDB record found on line 174990  
ATOM 50780 HWS SOL W951a -43.408 8.955 70.443 1.00 0.00 H  
  
Ignored bad PDB record found on line 174991  
ATOM 50782 HWS SOL W951a -43.803 9.870 69.304 1.00 0.00 H  
  
63 messages similar to the above omitted  
Duplicate atom serial number found: 50802  
Duplicate atom serial number found: 50804  
Duplicate atom serial number found: 50806  
Duplicate atom serial number found: 50808  
Ignored bad PDB record found on line 175059  
ATOM 5080a HWS SOL W9531 -51.487 15.134 80.013 1.00 0.00 H  
  
Ignored bad PDB record found on line 175060  
ATOM 5080c HWS SOL W9531 -50.195 15.921 79.938 1.00 0.00 H  
  
Ignored bad PDB record found on line 175061  
ATOM 5080e OWS SOL W9532 -58.242 27.289 58.148 1.00 0.00 O  
  
Duplicate atom serial number found: 50810  
Duplicate atom serial number found: 50812  
Duplicate atom serial number found: 50814  
Duplicate atom serial number found: 50816  
Duplicate atom serial number found: 50818  
Ignored bad PDB record found on line 175067  
ATOM 5081a OWS SOL W9534 -33.897 -4.085 51.074 1.00 0.00 O  
  
Ignored bad PDB record found on line 175068  
ATOM 5081c HWS SOL W9534 -33.634 -4.032 50.155 1.00 0.00 H  
  
Ignored bad PDB record found on line 175069  
ATOM 5081e HWS SOL W9534 -34.852 -4.016 51.054 1.00 0.00 H  
  
Duplicate atom serial number found: 50820  
Duplicate atom serial number found: 50822  
Duplicate atom serial number found: 50824  
Duplicate atom serial number found: 50826  
Duplicate atom serial number found: 50828  
Ignored bad PDB record found on line 175075  
ATOM 5082a HWS SOL W9536 -55.041 15.274 42.675 1.00 0.00 H  
  
Ignored bad PDB record found on line 175076  
ATOM 5082c OWS SOL W9537 -53.064 -3.052 54.870 1.00 0.00 O  
  
Ignored bad PDB record found on line 175077  
ATOM 5082e HWS SOL W9537 -53.974 -2.760 54.825 1.00 0.00 H  
  
Duplicate atom serial number found: 50830  
Duplicate atom serial number found: 50832  
Duplicate atom serial number found: 50834  
Duplicate atom serial number found: 50836  
Duplicate atom serial number found: 50838  
Ignored bad PDB record found on line 175083  
ATOM 5083a HWS SOL W9539 -57.778 4.392 38.066 1.00 0.00 H  
  
Ignored bad PDB record found on line 175084  
ATOM 5083c HWS SOL W9539 -59.195 4.209 38.565 1.00 0.00 H  
  
Ignored bad PDB record found on line 175085  
ATOM 5083e OWS SOL W953a -85.921 -7.403 62.051 1.00 0.00 O  
  
Ignored bad PDB record found on line 175086  
ATOM 50840 HWS SOL W953a -86.634 -6.781 62.199 1.00 0.00 H  
  
Ignored bad PDB record found on line 175087  
ATOM 50842 HWS SOL W953a -86.316 -8.100 61.528 1.00 0.00 H  
  
15 messages similar to the above omitted  
Duplicate atom serial number found: 50862  
Duplicate atom serial number found: 50864  
Duplicate atom serial number found: 50866  
Duplicate atom serial number found: 50868  
Ignored bad PDB record found on line 175107  
ATOM 5086a HWS SOL W9541 -60.229 -4.249 57.722 1.00 0.00 H  
  
Ignored bad PDB record found on line 175108  
ATOM 5086c HWS SOL W9541 -61.085 -3.373 56.832 1.00 0.00 H  
  
Ignored bad PDB record found on line 175109  
ATOM 5086e OWS SOL W9542 -36.665 3.505 69.503 1.00 0.00 O  
  
Duplicate atom serial number found: 50870  
Duplicate atom serial number found: 50872  
Duplicate atom serial number found: 50874  
Duplicate atom serial number found: 50876  
Duplicate atom serial number found: 50878  
Ignored bad PDB record found on line 175115  
ATOM 5087a OWS SOL W9544 -55.369 5.013 35.220 1.00 0.00 O  
  
Ignored bad PDB record found on line 175116  
ATOM 5087c HWS SOL W9544 -55.795 4.282 35.668 1.00 0.00 H  
  
Ignored bad PDB record found on line 175117  
ATOM 5087e HWS SOL W9544 -55.778 5.036 34.355 1.00 0.00 H  
  
Duplicate atom serial number found: 50880  
Duplicate atom serial number found: 50882  
Duplicate atom serial number found: 50884  
Duplicate atom serial number found: 50886  
Duplicate atom serial number found: 50888  
Ignored bad PDB record found on line 175123  
ATOM 5088a HWS SOL W9546 -58.376 15.524 37.359 1.00 0.00 H  
  
Ignored bad PDB record found on line 175124  
ATOM 5088c OWS SOL W9547 -62.980 11.012 51.097 1.00 0.00 O  
  
Ignored bad PDB record found on line 175125  
ATOM 5088e HWS SOL W9547 -63.831 10.786 50.724 1.00 0.00 H  
  
Duplicate atom serial number found: 50890  
Duplicate atom serial number found: 50892  
Duplicate atom serial number found: 50894  
Duplicate atom serial number found: 50896  
Duplicate atom serial number found: 50898  
Ignored bad PDB record found on line 175131  
ATOM 5089a HWS SOL W9549 -49.587 18.328 47.762 1.00 0.00 H  
  
Ignored bad PDB record found on line 175132  
ATOM 5089c HWS SOL W9549 -49.032 19.730 47.890 1.00 0.00 H  
  
Ignored bad PDB record found on line 175133  
ATOM 5089e OWS SOL W954a -58.220 9.208 -85.347 1.00 0.00 O  
  
Ignored bad PDB record found on line 175134  
ATOM 508a0 HWS SOL W954a -58.145 10.155 -85.227 1.00 0.00 H  
  
Ignored bad PDB record found on line 175135  
ATOM 508a2 HWS SOL W954a -57.558 8.839 -84.763 1.00 0.00 H  
  
63 messages similar to the above omitted  
Duplicate atom serial number found: 50922  
Duplicate atom serial number found: 50924  
Duplicate atom serial number found: 50926  
Duplicate atom serial number found: 50928  
Ignored bad PDB record found on line 175203  
ATOM 5092a HWS SOL W9561 -57.237 24.565 49.603 1.00 0.00 H  
  
Ignored bad PDB record found on line 175204  
ATOM 5092c HWS SOL W9561 -58.380 24.934 48.682 1.00 0.00 H  
  
Ignored bad PDB record found on line 175205  
ATOM 5092e OWS SOL W9562 -44.439 -2.200 67.316 1.00 0.00 O  
  
Duplicate atom serial number found: 50930  
Duplicate atom serial number found: 50932  
Duplicate atom serial number found: 50934  
Duplicate atom serial number found: 50936  
Duplicate atom serial number found: 50938  
Ignored bad PDB record found on line 175211  
ATOM 5093a OWS SOL W9564 -60.382 25.616 63.884 1.00 0.00 O  
  
Ignored bad PDB record found on line 175212  
ATOM 5093c HWS SOL W9564 -59.959 26.431 64.151 1.00 0.00 H  
  
Ignored bad PDB record found on line 175213  
ATOM 5093e HWS SOL W9564 -59.815 24.926 64.229 1.00 0.00 H  
  
Duplicate atom serial number found: 50940  
Duplicate atom serial number found: 50942  
Duplicate atom serial number found: 50944  
Duplicate atom serial number found: 50946  
Duplicate atom serial number found: 50948  
Ignored bad PDB record found on line 175219  
ATOM 5094a HWS SOL W9566 -58.441 -3.923 61.035 1.00 0.00 H  
  
Ignored bad PDB record found on line 175220  
ATOM 5094c OWS SOL W9567 -56.281 -23.134 74.030 1.00 0.00 O  
  
Ignored bad PDB record found on line 175221  
ATOM 5094e HWS SOL W9567 -56.389 -23.649 73.230 1.00 0.00 H  
  
Duplicate atom serial number found: 50950  
Duplicate atom serial number found: 50952  
Duplicate atom serial number found: 50954  
Duplicate atom serial number found: 50956  
Duplicate atom serial number found: 50958  
Ignored bad PDB record found on line 175227  
ATOM 5095a HWS SOL W9569 -53.433 23.516 45.842 1.00 0.00 H  
  
Ignored bad PDB record found on line 175228  
ATOM 5095c HWS SOL W9569 -52.823 23.146 44.506 1.00 0.00 H  
  
Ignored bad PDB record found on line 175229  
ATOM 5095e OWS SOL W956a -59.686 24.712 61.267 1.00 0.00 O  
  
Ignored bad PDB record found on line 175230  
ATOM 50960 HWS SOL W956a -59.715 24.942 62.195 1.00 0.00 H  
  
Ignored bad PDB record found on line 175231  
ATOM 50962 HWS SOL W956a -59.788 23.761 61.252 1.00 0.00 H  
  
15 messages similar to the above omitted  
Duplicate atom serial number found: 50982  
Duplicate atom serial number found: 50984  
Duplicate atom serial number found: 50986  
Duplicate atom serial number found: 50988  
Ignored bad PDB record found on line 175251  
ATOM 5098a HWS SOL W9571 -68.675 -23.490 66.096 1.00 0.00 H  
  
Ignored bad PDB record found on line 175252  
ATOM 5098c HWS SOL W9571 -67.447 -23.491 66.981 1.00 0.00 H  
  
Ignored bad PDB record found on line 175253  
ATOM 5098e OWS SOL W9572 -43.287 -23.121 32.786 1.00 0.00 O  
  
Duplicate atom serial number found: 50990  
Duplicate atom serial number found: 50992  
Duplicate atom serial number found: 50994  
Duplicate atom serial number found: 50996  
Duplicate atom serial number found: 50998  
Ignored bad PDB record found on line 175259  
ATOM 5099a OWS SOL W9574 -73.371 4.342 49.653 1.00 0.00 O  
  
Ignored bad PDB record found on line 175260  
ATOM 5099c HWS SOL W9574 -72.682 4.292 48.991 1.00 0.00 H  
  
Ignored bad PDB record found on line 175261  
ATOM 5099e HWS SOL W9574 -73.555 5.278 49.738 1.00 0.00 H  
  
Ignored bad PDB record found on line 175262  
ATOM 509a0 OWS SOL W9575 -52.180 1.783 48.806 1.00 0.00 O  
  
Ignored bad PDB record found on line 175263  
ATOM 509a2 HWS SOL W9575 -52.171 1.052 49.423 1.00 0.00 H  
  
814 messages similar to the above omitted  
Duplicate atom serial number found: 51000  
Duplicate atom serial number found: 51002  
Duplicate atom serial number found: 51004  
Duplicate atom serial number found: 51006  
Duplicate atom serial number found: 51008  
Ignored bad PDB record found on line 176083  
ATOM 5100a HWS SOL W9688 -78.562 -1.764 43.734 1.00 0.00 H  
  
Ignored bad PDB record found on line 176084  
ATOM 5100c OWS SOL W9689 -44.873 -13.410 55.191 1.00 0.00 O  
  
Ignored bad PDB record found on line 176085  
ATOM 5100e HWS SOL W9689 -45.587 -12.906 54.801 1.00 0.00 H  
  
Duplicate atom serial number found: 51010  
Ignored bad PDB record found on line 176087  
ATOM 51012 OWS SOL W968a -49.480 12.419 44.939 1.00 0.00 O  
  
Ignored bad PDB record found on line 176088  
ATOM 51014 HWS SOL W968a -50.151 11.839 44.580 1.00 0.00 H  
  
Ignored bad PDB record found on line 176089  
ATOM 51016 HWS SOL W968a -49.973 13.110 45.383 1.00 0.00 H  
  
Ignored bad PDB record found on line 176090  
ATOM 51018 OWS SOL W968b -46.760 -23.080 43.275 1.00 0.00 O  
  
Ignored bad PDB record found on line 176091  
ATOM 5101a HWS SOL W968b -46.732 -22.202 42.894 1.00 0.00 H  
  
13 messages similar to the above omitted  
Duplicate atom serial number found: 51036  
Duplicate atom serial number found: 51038  
Ignored bad PDB record found on line 176107  
ATOM 5103a HWS SOL W9690 -52.448 4.478 63.023 1.00 0.00 H  
  
Ignored bad PDB record found on line 176108  
ATOM 5103c OWS SOL W9691 -56.273 2.134 68.684 1.00 0.00 O  
  
Ignored bad PDB record found on line 176109  
ATOM 5103e HWS SOL W9691 -57.104 2.440 68.321 1.00 0.00 H  
  
Duplicate atom serial number found: 51040  
Duplicate atom serial number found: 51042  
Duplicate atom serial number found: 51044  
Duplicate atom serial number found: 51046  
Duplicate atom serial number found: 51048  
Ignored bad PDB record found on line 176115  
ATOM 5104a HWS SOL W9693 -80.186 15.061 42.622 1.00 0.00 H  
  
Ignored bad PDB record found on line 176116  
ATOM 5104c HWS SOL W9693 -79.884 15.317 44.084 1.00 0.00 H  
  
Ignored bad PDB record found on line 176117  
ATOM 5104e OWS SOL W9694 -38.708 13.311 22.578 1.00 0.00 O  
  
Duplicate atom serial number found: 51050  
Duplicate atom serial number found: 51052  
Duplicate atom serial number found: 51054  
Duplicate atom serial number found: 51056  
Duplicate atom serial number found: 51058  
Ignored bad PDB record found on line 176123  
ATOM 5105a OWS SOL W9696 -37.032 -2.007 40.578 1.00 0.00 O  
  
Ignored bad PDB record found on line 176124  
ATOM 5105c HWS SOL W9696 -36.718 -2.627 41.236 1.00 0.00 H  
  
Ignored bad PDB record found on line 176125  
ATOM 5105e HWS SOL W9696 -37.890 -1.730 40.899 1.00 0.00 H  
  
Duplicate atom serial number found: 51060  
Duplicate atom serial number found: 51062  
Duplicate atom serial number found: 51064  
Duplicate atom serial number found: 51066  
Duplicate atom serial number found: 51068  
Ignored bad PDB record found on line 176131  
ATOM 5106a HWS SOL W9698 -58.019 -10.772 66.320 1.00 0.00 H  
  
Ignored bad PDB record found on line 176132  
ATOM 5106c OWS SOL W9699 -42.708 -18.559 67.990 1.00 0.00 O  
  
Ignored bad PDB record found on line 176133  
ATOM 5106e HWS SOL W9699 -42.368 -19.173 68.641 1.00 0.00 H  
  
Duplicate atom serial number found: 51070  
Ignored bad PDB record found on line 176135  
ATOM 51072 OWS SOL W969a -62.066 -5.782 42.350 1.00 0.00 O  
  
Ignored bad PDB record found on line 176136  
ATOM 51074 HWS SOL W969a -62.963 -5.491 42.187 1.00 0.00 H  
  
Ignored bad PDB record found on line 176137  
ATOM 51076 HWS SOL W969a -62.074 -6.089 43.256 1.00 0.00 H  
  
Ignored bad PDB record found on line 176138  
ATOM 51078 OWS SOL W969b -73.818 31.492 26.584 1.00 0.00 O  
  
Ignored bad PDB record found on line 176139  
ATOM 5107a HWS SOL W969b -74.040 30.678 27.037 1.00 0.00 H  
  
322 messages similar to the above omitted  
Duplicate atom serial number found: 51300  
Duplicate atom serial number found: 51302  
Duplicate atom serial number found: 51304  
Duplicate atom serial number found: 51306  
Duplicate atom serial number found: 51308  
Ignored bad PDB record found on line 176467  
ATOM 5130a HWS SOL W9708 -52.047 23.513 36.006 1.00 0.00 H  
  
Ignored bad PDB record found on line 176468  
ATOM 5130c OWS SOL W9709 -43.916 13.317 55.855 1.00 0.00 O  
  
Ignored bad PDB record found on line 176469  
ATOM 5130e HWS SOL W9709 -43.110 13.334 55.338 1.00 0.00 H  
  
Duplicate atom serial number found: 51310  
Ignored bad PDB record found on line 176471  
ATOM 51312 OWS SOL W970a -43.421 3.446 56.266 1.00 0.00 O  
  
Ignored bad PDB record found on line 176472  
ATOM 51314 HWS SOL W970a -43.393 3.207 57.192 1.00 0.00 H  
  
Ignored bad PDB record found on line 176473  
ATOM 51316 HWS SOL W970a -44.136 2.923 55.904 1.00 0.00 H  
  
Ignored bad PDB record found on line 176474  
ATOM 51318 OWS SOL W970b -56.258 5.601 47.753 1.00 0.00 O  
  
Ignored bad PDB record found on line 176475  
ATOM 5131a HWS SOL W970b -55.338 5.471 47.521 1.00 0.00 H  
  
13 messages similar to the above omitted  
Duplicate atom serial number found: 51336  
Duplicate atom serial number found: 51338  
Ignored bad PDB record found on line 176491  
ATOM 5133a HWS SOL W9710 -43.556 -16.638 53.024 1.00 0.00 H  
  
Ignored bad PDB record found on line 176492  
ATOM 5133c OWS SOL W9711 -72.524 -30.353 70.972 1.00 0.00 O  
  
Ignored bad PDB record found on line 176493  
ATOM 5133e HWS SOL W9711 -72.969 -30.665 70.184 1.00 0.00 H  
  
Duplicate atom serial number found: 51340  
Duplicate atom serial number found: 51342  
Duplicate atom serial number found: 51344  
Duplicate atom serial number found: 51346  
Duplicate atom serial number found: 51348  
Ignored bad PDB record found on line 176499  
ATOM 5134a HWS SOL W9713 -60.239 12.667 42.731 1.00 0.00 H  
  
Ignored bad PDB record found on line 176500  
ATOM 5134c HWS SOL W9713 -60.727 12.863 44.150 1.00 0.00 H  
  
Ignored bad PDB record found on line 176501  
ATOM 5134e OWS SOL W9714 -36.598 -11.412 51.933 1.00 0.00 O  
  
Duplicate atom serial number found: 51350  
Duplicate atom serial number found: 51352  
Duplicate atom serial number found: 51354  
Duplicate atom serial number found: 51356  
Duplicate atom serial number found: 51358  
Ignored bad PDB record found on line 176507  
ATOM 5135a OWS SOL W9716 -60.781 -25.129 44.269 1.00 0.00 O  
  
Ignored bad PDB record found on line 176508  
ATOM 5135c HWS SOL W9716 -60.121 -24.437 44.304 1.00 0.00 H  
  
Ignored bad PDB record found on line 176509  
ATOM 5135e HWS SOL W9716 -60.508 -25.684 43.538 1.00 0.00 H  
  
Duplicate atom serial number found: 51360  
Duplicate atom serial number found: 51362  
Duplicate atom serial number found: 51364  
Duplicate atom serial number found: 51366  
Duplicate atom serial number found: 51368  
Ignored bad PDB record found on line 176515  
ATOM 5136a HWS SOL W9718 -50.076 -15.197 69.047 1.00 0.00 H  
  
Ignored bad PDB record found on line 176516  
ATOM 5136c OWS SOL W9719 -28.312 -22.177 68.120 1.00 0.00 O  
  
Ignored bad PDB record found on line 176517  
ATOM 5136e HWS SOL W9719 -27.456 -21.754 68.055 1.00 0.00 H  
  
Duplicate atom serial number found: 51370  
Ignored bad PDB record found on line 176519  
ATOM 51372 OWS SOL W971a -82.803 1.630 46.886 1.00 0.00 O  
  
Ignored bad PDB record found on line 176520  
ATOM 51374 HWS SOL W971a -82.075 2.252 46.912 1.00 0.00 H  
  
Ignored bad PDB record found on line 176521  
ATOM 51376 HWS SOL W971a -83.234 1.732 47.735 1.00 0.00 H  
  
Ignored bad PDB record found on line 176522  
ATOM 51378 OWS SOL W971b -46.335 -2.370 46.968 1.00 0.00 O  
  
Ignored bad PDB record found on line 176523  
ATOM 5137a HWS SOL W971b -47.251 -2.480 46.712 1.00 0.00 H  
  
13 messages similar to the above omitted  
Duplicate atom serial number found: 51396  
Duplicate atom serial number found: 51398  
Ignored bad PDB record found on line 176539  
ATOM 5139a HWS SOL W9720 -62.211 -21.313 43.806 1.00 0.00 H  
  
Ignored bad PDB record found on line 176540  
ATOM 5139c OWS SOL W9721 -39.619 16.855 54.362 1.00 0.00 O  
  
Ignored bad PDB record found on line 176541  
ATOM 5139e HWS SOL W9721 -38.958 16.914 53.672 1.00 0.00 H  
  
Ignored bad PDB record found on line 176542  
ATOM 513a0 HWS SOL W9721 -39.387 17.551 54.977 1.00 0.00 H  
  
Ignored bad PDB record found on line 176543  
ATOM 513a2 OWS SOL W9722 -26.697 -10.430 53.957 1.00 0.00 O  
  
46 messages similar to the above omitted  
Duplicate atom serial number found: 51400  
Duplicate atom serial number found: 51402  
Duplicate atom serial number found: 51404  
Duplicate atom serial number found: 51406  
Duplicate atom serial number found: 51408  
Ignored bad PDB record found on line 176595  
ATOM 5140a HWS SOL W9733 -63.952 -15.410 59.048 1.00 0.00 H  
  
Ignored bad PDB record found on line 176596  
ATOM 5140c HWS SOL W9733 -65.336 -14.908 58.697 1.00 0.00 H  
  
Ignored bad PDB record found on line 176597  
ATOM 5140e OWS SOL W9734 -63.271 -7.376 68.604 1.00 0.00 O  
  
Duplicate atom serial number found: 51410  
Duplicate atom serial number found: 51412  
Duplicate atom serial number found: 51414  
Duplicate atom serial number found: 51416  
Duplicate atom serial number found: 51418  
Ignored bad PDB record found on line 176603  
ATOM 5141a OWS SOL W9736 -71.709 -7.270 44.860 1.00 0.00 O  
  
Ignored bad PDB record found on line 176604  
ATOM 5141c HWS SOL W9736 -72.617 -7.099 44.608 1.00 0.00 H  
  
Ignored bad PDB record found on line 176605  
ATOM 5141e HWS SOL W9736 -71.228 -7.277 44.033 1.00 0.00 H  
  
Duplicate atom serial number found: 51420  
Duplicate atom serial number found: 51422  
Duplicate atom serial number found: 51424  
Duplicate atom serial number found: 51426  
Duplicate atom serial number found: 51428  
Ignored bad PDB record found on line 176611  
ATOM 5142a HWS SOL W9738 -34.011 23.048 85.019 1.00 0.00 H  
  
Ignored bad PDB record found on line 176612  
ATOM 5142c OWS SOL W9739 -51.283 5.791 78.284 1.00 0.00 O  
  
Ignored bad PDB record found on line 176613  
ATOM 5142e HWS SOL W9739 -52.189 5.648 78.557 1.00 0.00 H  
  
Duplicate atom serial number found: 51430  
Ignored bad PDB record found on line 176615  
ATOM 51432 OWS SOL W973a -40.623 -1.669 61.135 1.00 0.00 O  
  
Ignored bad PDB record found on line 176616  
ATOM 51434 HWS SOL W973a -40.779 -0.738 61.294 1.00 0.00 H  
  
Ignored bad PDB record found on line 176617  
ATOM 51436 HWS SOL W973a -40.004 -1.929 61.817 1.00 0.00 H  
  
Ignored bad PDB record found on line 176618  
ATOM 51438 OWS SOL W973b 88.080 -28.587 53.148 1.00 0.00 O  
  
Ignored bad PDB record found on line 176619  
ATOM 5143a HWS SOL W973b 88.019 -29.494 53.445 1.00 0.00 H  
  
13 messages similar to the above omitted  
Duplicate atom serial number found: 51456  
Duplicate atom serial number found: 51458  
Ignored bad PDB record found on line 176635  
ATOM 5145a HWS SOL W9740 -62.509 -23.597 54.781 1.00 0.00 H  
  
Ignored bad PDB record found on line 176636  
ATOM 5145c OWS SOL W9741 -38.590 -18.112 62.879 1.00 0.00 O  
  
Ignored bad PDB record found on line 176637  
ATOM 5145e HWS SOL W9741 -38.476 -17.168 62.990 1.00 0.00 H  
  
Duplicate atom serial number found: 51460  
Duplicate atom serial number found: 51462  
Duplicate atom serial number found: 51464  
Duplicate atom serial number found: 51466  
Duplicate atom serial number found: 51468  
Ignored bad PDB record found on line 176643  
ATOM 5146a HWS SOL W9743 -40.161 10.552 53.205 1.00 0.00 H  
  
Ignored bad PDB record found on line 176644  
ATOM 5146c HWS SOL W9743 -40.287 11.891 52.509 1.00 0.00 H  
  
Ignored bad PDB record found on line 176645  
ATOM 5146e OWS SOL W9744 -71.984 11.491 61.831 1.00 0.00 O  
  
Duplicate atom serial number found: 51470  
Duplicate atom serial number found: 51472  
Duplicate atom serial number found: 51474  
Duplicate atom serial number found: 51476  
Duplicate atom serial number found: 51478  
Ignored bad PDB record found on line 176651  
ATOM 5147a OWS SOL W9746 -42.995 -7.586 43.161 1.00 0.00 O  
  
Ignored bad PDB record found on line 176652  
ATOM 5147c HWS SOL W9746 -42.320 -7.235 43.742 1.00 0.00 H  
  
Ignored bad PDB record found on line 176653  
ATOM 5147e HWS SOL W9746 -43.029 -8.519 43.368 1.00 0.00 H  
  
Duplicate atom serial number found: 51480  
Duplicate atom serial number found: 51482  
Duplicate atom serial number found: 51484  
Duplicate atom serial number found: 51486  
Duplicate atom serial number found: 51488  
Ignored bad PDB record found on line 176659  
ATOM 5148a HWS SOL W9748 -59.579 -23.529 -89.036 1.00 0.00 H  
  
Ignored bad PDB record found on line 176660  
ATOM 5148c OWS SOL W9749 -70.068 -4.491 67.029 1.00 0.00 O  
  
Ignored bad PDB record found on line 176661  
ATOM 5148e HWS SOL W9749 -70.676 -4.857 67.671 1.00 0.00 H  
  
Duplicate atom serial number found: 51490  
Ignored bad PDB record found on line 176663  
ATOM 51492 OWS SOL W974a -67.248 9.015 63.026 1.00 0.00 O  
  
Ignored bad PDB record found on line 176664  
ATOM 51494 HWS SOL W974a -67.170 9.183 63.965 1.00 0.00 H  
  
Ignored bad PDB record found on line 176665  
ATOM 51496 HWS SOL W974a -66.395 9.259 62.667 1.00 0.00 H  
  
Ignored bad PDB record found on line 176666  
ATOM 51498 OWS SOL W974b -46.119 9.379 54.418 1.00 0.00 O  
  
Ignored bad PDB record found on line 176667  
ATOM 5149a HWS SOL W974b -45.644 9.196 55.229 1.00 0.00 H  
  
61 messages similar to the above omitted  
Duplicate atom serial number found: 51516  
Duplicate atom serial number found: 51518  
Ignored bad PDB record found on line 176731  
ATOM 5151a HWS SOL W9760 -75.091 -9.001 59.922 1.00 0.00 H  
  
Ignored bad PDB record found on line 176732  
ATOM 5151c OWS SOL W9761 -62.949 15.680 67.823 1.00 0.00 O  
  
Ignored bad PDB record found on line 176733  
ATOM 5151e HWS SOL W9761 -62.002 15.601 67.935 1.00 0.00 H  
  
Duplicate atom serial number found: 51520  
Duplicate atom serial number found: 51522  
Duplicate atom serial number found: 51524  
Duplicate atom serial number found: 51526  
Duplicate atom serial number found: 51528  
Ignored bad PDB record found on line 176739  
ATOM 5152a HWS SOL W9763 -59.375 -22.928 65.236 1.00 0.00 H  
  
Ignored bad PDB record found on line 176740  
ATOM 5152c HWS SOL W9763 -57.889 -23.207 65.168 1.00 0.00 H  
  
Ignored bad PDB record found on line 176741  
ATOM 5152e OWS SOL W9764 -60.537 -7.352 75.709 1.00 0.00 O  
  
Duplicate atom serial number found: 51530  
Duplicate atom serial number found: 51532  
Duplicate atom serial number found: 51534  
Duplicate atom serial number found: 51536  
Duplicate atom serial number found: 51538  
Ignored bad PDB record found on line 176747  
ATOM 5153a OWS SOL W9766 -68.249 22.357 61.377 1.00 0.00 O  
  
Ignored bad PDB record found on line 176748  
ATOM 5153c HWS SOL W9766 -69.155 22.059 61.454 1.00 0.00 H  
  
Ignored bad PDB record found on line 176749  
ATOM 5153e HWS SOL W9766 -68.294 23.116 60.796 1.00 0.00 H  
  
Duplicate atom serial number found: 51540  
Duplicate atom serial number found: 51542  
Duplicate atom serial number found: 51544  
Duplicate atom serial number found: 51546  
Duplicate atom serial number found: 51548  
Ignored bad PDB record found on line 176755  
ATOM 5154a HWS SOL W9768 -42.741 9.595 19.569 1.00 0.00 H  
  
Ignored bad PDB record found on line 176756  
ATOM 5154c OWS SOL W9769 -76.077 -6.629 67.885 1.00 0.00 O  
  
Ignored bad PDB record found on line 176757  
ATOM 5154e HWS SOL W9769 -75.832 -7.255 67.205 1.00 0.00 H  
  
Duplicate atom serial number found: 51550  
Ignored bad PDB record found on line 176759  
ATOM 51552 OWS SOL W976a -58.449 13.094 61.290 1.00 0.00 O  
  
Ignored bad PDB record found on line 176760  
ATOM 51554 HWS SOL W976a -58.881 13.945 61.210 1.00 0.00 H  
  
Ignored bad PDB record found on line 176761  
ATOM 51556 HWS SOL W976a -59.161 12.457 61.223 1.00 0.00 H  
  
Ignored bad PDB record found on line 176762  
ATOM 51558 OWS SOL W976b -45.231 -9.253 65.966 1.00 0.00 O  
  
Ignored bad PDB record found on line 176763  
ATOM 5155a HWS SOL W976b -45.288 -8.350 65.654 1.00 0.00 H  
  
13 messages similar to the above omitted  
Duplicate atom serial number found: 51576  
Duplicate atom serial number found: 51578  
Ignored bad PDB record found on line 176779  
ATOM 5157a HWS SOL W9770 -66.251 4.504 49.512 1.00 0.00 H  
  
Ignored bad PDB record found on line 176780  
ATOM 5157c OWS SOL W9771 -40.099 27.800 71.724 1.00 0.00 O  
  
Ignored bad PDB record found on line 176781  
ATOM 5157e HWS SOL W9771 -39.506 27.056 71.620 1.00 0.00 H  
  
Duplicate atom serial number found: 51580  
Duplicate atom serial number found: 51582  
Duplicate atom serial number found: 51584  
Duplicate atom serial number found: 51586  
Duplicate atom serial number found: 51588  
Ignored bad PDB record found on line 176787  
ATOM 5158a HWS SOL W9773 -39.136 -18.624 54.916 1.00 0.00 H  
  
Ignored bad PDB record found on line 176788  
ATOM 5158c HWS SOL W9773 -37.638 -18.815 54.820 1.00 0.00 H  
  
Ignored bad PDB record found on line 176789  
ATOM 5158e OWS SOL W9774 -50.565 -2.175 61.898 1.00 0.00 O  
  
Duplicate atom serial number found: 51590  
Duplicate atom serial number found: 51592  
Duplicate atom serial number found: 51594  
Duplicate atom serial number found: 51596  
Duplicate atom serial number found: 51598  
Ignored bad PDB record found on line 176795  
ATOM 5159a OWS SOL W9776 -42.422 18.355 55.400 1.00 0.00 O  
  
Ignored bad PDB record found on line 176796  
ATOM 5159c HWS SOL W9776 -42.386 18.982 54.678 1.00 0.00 H  
  
Ignored bad PDB record found on line 176797  
ATOM 5159e HWS SOL W9776 -42.509 17.502 54.974 1.00 0.00 H  
  
Ignored bad PDB record found on line 176798  
ATOM 515a0 OWS SOL W9777 -66.730 -7.279 78.566 1.00 0.00 O  
  
Ignored bad PDB record found on line 176799  
ATOM 515a2 HWS SOL W9777 -67.655 -7.040 78.503 1.00 0.00 H  
  
46 messages similar to the above omitted  
Duplicate atom serial number found: 51600  
Duplicate atom serial number found: 51602  
Duplicate atom serial number found: 51604  
Duplicate atom serial number found: 51606  
Duplicate atom serial number found: 51608  
Ignored bad PDB record found on line 176851  
ATOM 5160a HWS SOL W9788 -47.725 -1.490 44.358 1.00 0.00 H  
  
Ignored bad PDB record found on line 176852  
ATOM 5160c OWS SOL W9789 -73.929 -5.484 48.590 1.00 0.00 O  
  
Ignored bad PDB record found on line 176853  
ATOM 5160e HWS SOL W9789 -74.545 -5.062 47.990 1.00 0.00 H  
  
Duplicate atom serial number found: 51610  
Ignored bad PDB record found on line 176855  
ATOM 51612 OWS SOL W978a -51.963 14.934 42.369 1.00 0.00 O  
  
Ignored bad PDB record found on line 176856  
ATOM 51614 HWS SOL W978a -51.963 15.881 42.226 1.00 0.00 H  
  
Ignored bad PDB record found on line 176857  
ATOM 51616 HWS SOL W978a -52.432 14.578 41.614 1.00 0.00 H  
  
Ignored bad PDB record found on line 176858  
ATOM 51618 OWS SOL W978b -61.804 -4.155 54.281 1.00 0.00 O  
  
Ignored bad PDB record found on line 176859  
ATOM 5161a HWS SOL W978b -61.342 -3.430 53.860 1.00 0.00 H  
  
13 messages similar to the above omitted  
Duplicate atom serial number found: 51636  
Duplicate atom serial number found: 51638  
Ignored bad PDB record found on line 176875  
ATOM 5163a HWS SOL W9790 -41.047 12.753 54.404 1.00 0.00 H  
  
Ignored bad PDB record found on line 176876  
ATOM 5163c OWS SOL W9791 -54.507 -4.851 41.564 1.00 0.00 O  
  
Ignored bad PDB record found on line 176877  
ATOM 5163e HWS SOL W9791 -54.744 -4.553 40.686 1.00 0.00 H  
  
Duplicate atom serial number found: 51640  
Duplicate atom serial number found: 51642  
Duplicate atom serial number found: 51644  
Duplicate atom serial number found: 51646  
Duplicate atom serial number found: 51648  
Ignored bad PDB record found on line 176883  
ATOM 5164a HWS SOL W9793 -76.132 -12.262 63.489 1.00 0.00 H  
  
Ignored bad PDB record found on line 176884  
ATOM 5164c HWS SOL W9793 -74.681 -12.664 63.648 1.00 0.00 H  
  
Ignored bad PDB record found on line 176885  
ATOM 5164e OWS SOL W9794 -53.217 12.152 52.141 1.00 0.00 O  
  
Duplicate atom serial number found: 51650  
Duplicate atom serial number found: 51652  
Duplicate atom serial number found: 51654  
Duplicate atom serial number found: 51656  
Duplicate atom serial number found: 51658  
Ignored bad PDB record found on line 176891  
ATOM 5165a OWS SOL W9796 -55.826 -4.724 34.102 1.00 0.00 O  
  
Ignored bad PDB record found on line 176892  
ATOM 5165c HWS SOL W9796 -54.871 -4.781 34.082 1.00 0.00 H  
  
Ignored bad PDB record found on line 176893  
ATOM 5165e HWS SOL W9796 -56.109 -5.555 34.484 1.00 0.00 H  
  
Duplicate atom serial number found: 51660  
Duplicate atom serial number found: 51662  
Duplicate atom serial number found: 51664  
Duplicate atom serial number found: 51666  
Duplicate atom serial number found: 51668  
Ignored bad PDB record found on line 176899  
ATOM 5166a HWS SOL W9798 -37.537 8.072 62.903 1.00 0.00 H  
  
Ignored bad PDB record found on line 176900  
ATOM 5166c OWS SOL W9799 -61.126 -29.219 43.372 1.00 0.00 O  
  
Ignored bad PDB record found on line 176901  
ATOM 5166e HWS SOL W9799 -60.884 -30.054 43.771 1.00 0.00 H  
  
Duplicate atom serial number found: 51670  
Ignored bad PDB record found on line 176903  
ATOM 51672 OWS SOL W979a -54.277 5.352 19.484 1.00 0.00 O  
  
Ignored bad PDB record found on line 176904  
ATOM 51674 HWS SOL W979a -54.263 5.070 18.569 1.00 0.00 H  
  
Ignored bad PDB record found on line 176905  
ATOM 51676 HWS SOL W979a -55.194 5.565 19.656 1.00 0.00 H  
  
Ignored bad PDB record found on line 176906  
ATOM 51678 OWS SOL W979b -60.664 27.975 30.421 1.00 0.00 O  
  
Ignored bad PDB record found on line 176907  
ATOM 5167a HWS SOL W979b -60.659 27.158 30.921 1.00 0.00 H  
  
322 messages similar to the above omitted  
Duplicate atom serial number found: 51900  
Duplicate atom serial number found: 51902  
Duplicate atom serial number found: 51904  
Duplicate atom serial number found: 51906  
Duplicate atom serial number found: 51908  
Ignored bad PDB record found on line 177235  
ATOM 5190a HWS SOL W9809 -75.862 -15.130 -88.817 1.00 0.00 H  
  
Ignored bad PDB record found on line 177236  
ATOM 5190c OWS SOL W980a -73.176 9.149 62.957 1.00 0.00 O  
  
Ignored bad PDB record found on line 177237  
ATOM 5190e HWS SOL W980a -73.488 8.563 62.267 1.00 0.00 H  
  
Ignored bad PDB record found on line 177238  
ATOM 51910 HWS SOL W980a -72.748 9.865 62.489 1.00 0.00 H  
  
Ignored bad PDB record found on line 177239  
ATOM 51912 OWS SOL W980b -56.549 3.924 87.705 1.00 0.00 O  
  
14 messages similar to the above omitted  
Duplicate atom serial number found: 51930  
Duplicate atom serial number found: 51932  
Duplicate atom serial number found: 51934  
Duplicate atom serial number found: 51936  
Duplicate atom serial number found: 51938  
Ignored bad PDB record found on line 177259  
ATOM 5193a HWS SOL W9811 -77.434 -13.213 61.731 1.00 0.00 H  
  
Ignored bad PDB record found on line 177260  
ATOM 5193c OWS SOL W9812 -60.121 13.141 -86.577 1.00 0.00 O  
  
Ignored bad PDB record found on line 177261  
ATOM 5193e HWS SOL W9812 -59.447 12.465 -86.645 1.00 0.00 H  
  
Duplicate atom serial number found: 51940  
Duplicate atom serial number found: 51942  
Duplicate atom serial number found: 51944  
Duplicate atom serial number found: 51946  
Duplicate atom serial number found: 51948  
Ignored bad PDB record found on line 177267  
ATOM 5194a HWS SOL W9814 -53.851 -3.718 51.819 1.00 0.00 H  
  
Ignored bad PDB record found on line 177268  
ATOM 5194c HWS SOL W9814 -52.955 -3.682 50.599 1.00 0.00 H  
  
Ignored bad PDB record found on line 177269  
ATOM 5194e OWS SOL W9815 -71.761 5.304 87.701 1.00 0.00 O  
  
Duplicate atom serial number found: 51950  
Duplicate atom serial number found: 51952  
Duplicate atom serial number found: 51954  
Duplicate atom serial number found: 51956  
Duplicate atom serial number found: 51958  
Ignored bad PDB record found on line 177275  
ATOM 5195a OWS SOL W9817 -72.304 -4.436 65.398 1.00 0.00 O  
  
Ignored bad PDB record found on line 177276  
ATOM 5195c HWS SOL W9817 -71.801 -4.714 66.164 1.00 0.00 H  
  
Ignored bad PDB record found on line 177277  
ATOM 5195e HWS SOL W9817 -71.759 -3.768 64.983 1.00 0.00 H  
  
Duplicate atom serial number found: 51960  
Duplicate atom serial number found: 51962  
Duplicate atom serial number found: 51964  
Duplicate atom serial number found: 51966  
Duplicate atom serial number found: 51968  
Ignored bad PDB record found on line 177283  
ATOM 5196a HWS SOL W9819 -44.900 9.760 -65.577 1.00 0.00 H  
  
Ignored bad PDB record found on line 177284  
ATOM 5196c OWS SOL W981a -69.887 13.721 -77.920 1.00 0.00 O  
  
Ignored bad PDB record found on line 177285  
ATOM 5196e HWS SOL W981a -69.148 14.222 -78.265 1.00 0.00 H  
  
Ignored bad PDB record found on line 177286  
ATOM 51970 HWS SOL W981a -70.510 13.682 -78.646 1.00 0.00 H  
  
Ignored bad PDB record found on line 177287  
ATOM 51972 OWS SOL W981b -61.099 2.064 70.700 1.00 0.00 O  
  
14 messages similar to the above omitted  
Duplicate atom serial number found: 51990  
Duplicate atom serial number found: 51992  
Duplicate atom serial number found: 51994  
Duplicate atom serial number found: 51996  
Duplicate atom serial number found: 51998  
Ignored bad PDB record found on line 177307  
ATOM 5199a HWS SOL W9821 -68.548 10.334 69.172 1.00 0.00 H  
  
Ignored bad PDB record found on line 177308  
ATOM 5199c OWS SOL W9822 -59.329 -21.541 90.069 1.00 0.00 O  
  
Ignored bad PDB record found on line 177309  
ATOM 5199e HWS SOL W9822 -59.311 -21.909 89.186 1.00 0.00 H  
  
Ignored bad PDB record found on line 177310  
ATOM 519a0 HWS SOL W9822 -58.455 -21.171 90.194 1.00 0.00 H  
  
Ignored bad PDB record found on line 177311  
ATOM 519a2 OWS SOL W9823 -62.195 21.597 66.886 1.00 0.00 O  
  
814 messages similar to the above omitted  
Duplicate atom serial number found: 52000  
Duplicate atom serial number found: 52002  
Duplicate atom serial number found: 52004  
Duplicate atom serial number found: 52006  
Duplicate atom serial number found: 52008  
Ignored bad PDB record found on line 178131  
ATOM 5200a HWS SOL W9934 -46.958 -3.410 -82.550 1.00 0.00 H  
  
Ignored bad PDB record found on line 178132  
ATOM 5200c HWS SOL W9934 -45.709 -4.242 -82.747 1.00 0.00 H  
  
Ignored bad PDB record found on line 178133  
ATOM 5200e OWS SOL W9935 -66.819 -1.787 -89.852 1.00 0.00 O  
  
Duplicate atom serial number found: 52010  
Duplicate atom serial number found: 52012  
Duplicate atom serial number found: 52014  
Duplicate atom serial number found: 52016  
Duplicate atom serial number found: 52018  
Ignored bad PDB record found on line 178139  
ATOM 5201a OWS SOL W9937 -41.840 10.834 64.639 1.00 0.00 O  
  
Ignored bad PDB record found on line 178140  
ATOM 5201c HWS SOL W9937 -41.628 11.361 63.868 1.00 0.00 H  
  
Ignored bad PDB record found on line 178141  
ATOM 5201e HWS SOL W9937 -42.032 11.475 65.323 1.00 0.00 H  
  
Duplicate atom serial number found: 52020  
Duplicate atom serial number found: 52022  
Duplicate atom serial number found: 52024  
Duplicate atom serial number found: 52026  
Duplicate atom serial number found: 52028  
Ignored bad PDB record found on line 178147  
ATOM 5202a HWS SOL W9939 -52.679 -23.747 82.684 1.00 0.00 H  
  
Ignored bad PDB record found on line 178148  
ATOM 5202c OWS SOL W993a -57.681 3.312 75.124 1.00 0.00 O  
  
Ignored bad PDB record found on line 178149  
ATOM 5202e HWS SOL W993a -57.512 3.435 74.189 1.00 0.00 H  
  
Ignored bad PDB record found on line 178150  
ATOM 52030 HWS SOL W993a -57.444 2.400 75.292 1.00 0.00 H  
  
Ignored bad PDB record found on line 178151  
ATOM 52032 OWS SOL W993b -28.645 3.108 -77.965 1.00 0.00 O  
  
14 messages similar to the above omitted  
Duplicate atom serial number found: 52050  
Duplicate atom serial number found: 52052  
Duplicate atom serial number found: 52054  
Duplicate atom serial number found: 52056  
Duplicate atom serial number found: 52058  
Ignored bad PDB record found on line 178171  
ATOM 5205a HWS SOL W9941 -55.832 -22.318 54.515 1.00 0.00 H  
  
Ignored bad PDB record found on line 178172  
ATOM 5205c OWS SOL W9942 -36.592 11.813 84.315 1.00 0.00 O  
  
Ignored bad PDB record found on line 178173  
ATOM 5205e HWS SOL W9942 -37.254 11.162 84.080 1.00 0.00 H  
  
Duplicate atom serial number found: 52060  
Duplicate atom serial number found: 52062  
Duplicate atom serial number found: 52064  
Duplicate atom serial number found: 52066  
Duplicate atom serial number found: 52068  
Ignored bad PDB record found on line 178179  
ATOM 5206a HWS SOL W9944 -57.379 15.329 78.021 1.00 0.00 H  
  
Ignored bad PDB record found on line 178180  
ATOM 5206c HWS SOL W9944 -57.047 14.833 79.412 1.00 0.00 H  
  
Ignored bad PDB record found on line 178181  
ATOM 5206e OWS SOL W9945 -62.913 23.741 87.333 1.00 0.00 O  
  
Duplicate atom serial number found: 52070  
Duplicate atom serial number found: 52072  
Duplicate atom serial number found: 52074  
Duplicate atom serial number found: 52076  
Duplicate atom serial number found: 52078  
Ignored bad PDB record found on line 178187  
ATOM 5207a OWS SOL W9947 -54.585 1.645 -84.452 1.00 0.00 O  
  
Ignored bad PDB record found on line 178188  
ATOM 5207c HWS SOL W9947 -54.966 1.967 -83.635 1.00 0.00 H  
  
Ignored bad PDB record found on line 178189  
ATOM 5207e HWS SOL W9947 -55.129 0.894 -84.691 1.00 0.00 H  
  
Duplicate atom serial number found: 52080  
Duplicate atom serial number found: 52082  
Duplicate atom serial number found: 52084  
Duplicate atom serial number found: 52086  
Duplicate atom serial number found: 52088  
Ignored bad PDB record found on line 178195  
ATOM 5208a HWS SOL W9949 -46.770 0.325 -85.698 1.00 0.00 H  
  
Ignored bad PDB record found on line 178196  
ATOM 5208c OWS SOL W994a -49.536 15.593 65.117 1.00 0.00 O  
  
Ignored bad PDB record found on line 178197  
ATOM 5208e HWS SOL W994a -50.323 16.105 65.306 1.00 0.00 H  
  
Ignored bad PDB record found on line 178198  
ATOM 52090 HWS SOL W994a -49.626 14.807 65.656 1.00 0.00 H  
  
Ignored bad PDB record found on line 178199  
ATOM 52092 OWS SOL W994b -39.134 14.992 82.585 1.00 0.00 O  
  
62 messages similar to the above omitted  
Duplicate atom serial number found: 52110  
Duplicate atom serial number found: 52112  
Duplicate atom serial number found: 52114  
Duplicate atom serial number found: 52116  
Duplicate atom serial number found: 52118  
Ignored bad PDB record found on line 178267  
ATOM 5211a HWS SOL W9961 -72.009 14.067 -81.984 1.00 0.00 H  
  
Ignored bad PDB record found on line 178268  
ATOM 5211c OWS SOL W9962 -60.220 1.718 -81.624 1.00 0.00 O  
  
Ignored bad PDB record found on line 178269  
ATOM 5211e HWS SOL W9962 -59.481 2.289 -81.413 1.00 0.00 H  
  
Duplicate atom serial number found: 52120  
Duplicate atom serial number found: 52122  
Duplicate atom serial number found: 52124  
Duplicate atom serial number found: 52126  
Duplicate atom serial number found: 52128  
Ignored bad PDB record found on line 178275  
ATOM 5212a HWS SOL W9964 -55.500 3.105 86.372 1.00 0.00 H  
  
Ignored bad PDB record found on line 178276  
ATOM 5212c HWS SOL W9964 -55.665 2.136 85.221 1.00 0.00 H  
  
Ignored bad PDB record found on line 178277  
ATOM 5212e OWS SOL W9965 -36.514 0.808 -89.340 1.00 0.00 O  
  
Duplicate atom serial number found: 52130  
Duplicate atom serial number found: 52132  
Duplicate atom serial number found: 52134  
Duplicate atom serial number found: 52136  
Duplicate atom serial number found: 52138  
Ignored bad PDB record found on line 178283  
ATOM 5213a OWS SOL W9967 -65.179 3.870 -82.151 1.00 0.00 O  
  
Ignored bad PDB record found on line 178284  
ATOM 5213c HWS SOL W9967 -66.131 3.827 -82.240 1.00 0.00 H  
  
Ignored bad PDB record found on line 178285  
ATOM 5213e HWS SOL W9967 -65.008 4.751 -81.818 1.00 0.00 H  
  
Duplicate atom serial number found: 52140  
Duplicate atom serial number found: 52142  
Duplicate atom serial number found: 52144  
Duplicate atom serial number found: 52146  
Duplicate atom serial number found: 52148  
Ignored bad PDB record found on line 178291  
ATOM 5214a HWS SOL W9969 -65.639 -13.612 -85.445 1.00 0.00 H  
  
Ignored bad PDB record found on line 178292  
ATOM 5214c OWS SOL W996a -83.186 -0.521 87.816 1.00 0.00 O  
  
Ignored bad PDB record found on line 178293  
ATOM 5214e HWS SOL W996a -83.583 0.321 88.038 1.00 0.00 H  
  
Ignored bad PDB record found on line 178294  
ATOM 52150 HWS SOL W996a -83.499 -0.707 86.930 1.00 0.00 H  
  
Ignored bad PDB record found on line 178295  
ATOM 52152 OWS SOL W996b -52.123 3.748 82.122 1.00 0.00 O  
  
14 messages similar to the above omitted  
Duplicate atom serial number found: 52170  
Duplicate atom serial number found: 52172  
Duplicate atom serial number found: 52174  
Duplicate atom serial number found: 52176  
Duplicate atom serial number found: 52178  
Ignored bad PDB record found on line 178315  
ATOM 5217a HWS SOL W9971 -52.904 12.572 70.309 1.00 0.00 H  
  
Ignored bad PDB record found on line 178316  
ATOM 5217c OWS SOL W9972 -40.645 14.402 -89.382 1.00 0.00 O  
  
Ignored bad PDB record found on line 178317  
ATOM 5217e HWS SOL W9972 -40.201 14.369 -90.230 1.00 0.00 H  
  
Duplicate atom serial number found: 52180  
Duplicate atom serial number found: 52182  
Duplicate atom serial number found: 52184  
Duplicate atom serial number found: 52186  
Duplicate atom serial number found: 52188  
Ignored bad PDB record found on line 178323  
ATOM 5218a HWS SOL W9974 -62.740 3.899 -87.762 1.00 0.00 H  
  
Ignored bad PDB record found on line 178324  
ATOM 5218c HWS SOL W9974 -64.013 3.800 -86.949 1.00 0.00 H  
  
Ignored bad PDB record found on line 178325  
ATOM 5218e OWS SOL W9975 -71.288 -0.848 85.408 1.00 0.00 O  
  
Duplicate atom serial number found: 52190  
Duplicate atom serial number found: 52192  
Duplicate atom serial number found: 52194  
Duplicate atom serial number found: 52196  
Duplicate atom serial number found: 52198  
Ignored bad PDB record found on line 178331  
ATOM 5219a OWS SOL W9977 -46.471 0.899 63.052 1.00 0.00 O  
  
Ignored bad PDB record found on line 178332  
ATOM 5219c HWS SOL W9977 -46.675 1.138 63.956 1.00 0.00 H  
  
Ignored bad PDB record found on line 178333  
ATOM 5219e HWS SOL W9977 -45.515 0.919 63.009 1.00 0.00 H  
  
Ignored bad PDB record found on line 178334  
ATOM 521a0 OWS SOL W9978 -52.647 -1.452 68.049 1.00 0.00 O  
  
Ignored bad PDB record found on line 178335  
ATOM 521a2 HWS SOL W9978 -53.388 -1.567 68.645 1.00 0.00 H  
  
46 messages similar to the above omitted  
Duplicate atom serial number found: 52200  
Duplicate atom serial number found: 52202  
Duplicate atom serial number found: 52204  
Duplicate atom serial number found: 52206  
Duplicate atom serial number found: 52208  
Ignored bad PDB record found on line 178387  
ATOM 5220a HWS SOL W9989 84.527 -5.732 88.582 1.00 0.00 H  
  
Ignored bad PDB record found on line 178388  
ATOM 5220c OWS SOL W998a -68.493 16.611 85.480 1.00 0.00 O  
  
Ignored bad PDB record found on line 178389  
ATOM 5220e HWS SOL W998a -69.080 16.326 84.780 1.00 0.00 H  
  
Ignored bad PDB record found on line 178390  
ATOM 52210 HWS SOL W998a -68.614 15.961 86.173 1.00 0.00 H  
  
Ignored bad PDB record found on line 178391  
ATOM 52212 OWS SOL W998b -62.630 -2.341 81.680 1.00 0.00 O  
  
14 messages similar to the above omitted  
Duplicate atom serial number found: 52230  
Duplicate atom serial number found: 52232  
Duplicate atom serial number found: 52234  
Duplicate atom serial number found: 52236  
Duplicate atom serial number found: 52238  
Ignored bad PDB record found on line 178411  
ATOM 5223a HWS SOL W9992 -58.762 -8.068 50.979 1.00 0.00 H  
  
Ignored bad PDB record found on line 178412  
ATOM 5223c OWS SOL W9993 -44.407 -10.581 85.686 1.00 0.00 O  
  
Ignored bad PDB record found on line 178413  
ATOM 5223e HWS SOL W9993 -43.605 -10.900 85.273 1.00 0.00 H  
  
Duplicate atom serial number found: 52240  
Duplicate atom serial number found: 52242  
Duplicate atom serial number found: 52244  
Duplicate atom serial number found: 52246  
Duplicate atom serial number found: 52248  
Ignored bad PDB record found on line 178419  
ATOM 5224a HWS SOL W9995 -58.510 -8.454 77.864 1.00 0.00 H  
  
Ignored bad PDB record found on line 178420  
ATOM 5224c HWS SOL W9995 -59.667 -8.525 76.891 1.00 0.00 H  
  
Ignored bad PDB record found on line 178421  
ATOM 5224e OWS SOL W9996 -67.187 14.348 74.612 1.00 0.00 O  
  
Duplicate atom serial number found: 52250  
Duplicate atom serial number found: 52252  
Duplicate atom serial number found: 52254  
Duplicate atom serial number found: 52256  
Duplicate atom serial number found: 52258  
Ignored bad PDB record found on line 178427  
ATOM 5225a OWS SOL W9998 -69.574 14.199 88.796 1.00 0.00 O  
  
Ignored bad PDB record found on line 178428  
ATOM 5225c HWS SOL W9998 -69.508 15.086 89.151 1.00 0.00 H  
  
Ignored bad PDB record found on line 178429  
ATOM 5225e HWS SOL W9998 -70.467 14.143 88.456 1.00 0.00 H  
  
Duplicate atom serial number found: 52260  
Duplicate atom serial number found: 52262  
Duplicate atom serial number found: 52264  
Ignored bad PDB record found on line 178433  
ATOM 52266 OWS SOL W999a -69.766 -0.426 79.932 1.00 0.00 O  
  
Ignored bad PDB record found on line 178434  
ATOM 52268 HWS SOL W999a -70.085 -0.030 79.121 1.00 0.00 H  
  
Ignored bad PDB record found on line 178435  
ATOM 5226a HWS SOL W999a -69.163 0.222 80.295 1.00 0.00 H  
  
Ignored bad PDB record found on line 178436  
ATOM 5226c OWS SOL W999b -42.777 23.031 81.282 1.00 0.00 O  
  
Ignored bad PDB record found on line 178437  
ATOM 5226e HWS SOL W999b -43.024 22.858 80.374 1.00 0.00 H  
  
407338 messages similar to the above omitted  
Duplicate atom serial number found: 52266  
Duplicate atom serial number found: 52268  
Duplicate atom serial number found: 52270  
Duplicate atom serial number found: 52272  
Duplicate atom serial number found: 52274  
474 messages similar to the above omitted  
  
Chain information for system_stripped.pdb #1  
---  
Chain | Description  
A B C | No description available  
  

> close #1

> open /run/media/tic20/storage/structure_dump/covid-19/de_shaw/DESRES-
> Trajectory_sarscov2-11021566-no-water-zinc-glueCA/sarscov2-11021566-no-
> water-zinc-glueCA/system_stripped.pdb

Summary of feedback from opening
/run/media/tic20/storage/structure_dump/covid-19/de_shaw/DESRES-
Trajectory_sarscov2-11021566-no-water-zinc-glueCA/sarscov2-11021566-no-water-
zinc-glueCA/system_stripped.pdb  
---  
warnings | Ignored bad PDB record found on line 60190  
ATOM 186a0 O4_6 NM5 C1171 42.722 -12.917 -65.328 1.00 0.00 O  
  
Ignored bad PDB record found on line 60191  
ATOM 186a2 C5 NM5 C1171 28.542 -1.043 -57.066 1.00 0.00 C  
  
Ignored bad PDB record found on line 60192  
ATOM 186a4 C5_1 NM5 C1171 30.583 -6.545 -56.390 1.00 0.00 C  
  
Ignored bad PDB record found on line 60193  
ATOM 186a6 C5_2 NM5 C1171 36.214 -8.281 -57.188 1.00 0.00 C  
  
Ignored bad PDB record found on line 60194  
ATOM 186a8 C5_3 NM5 C1171 32.859 -12.246 -54.295 1.00 0.00 C  
  
43 messages similar to the above omitted  
Duplicate atom serial number found: 18700  
Duplicate atom serial number found: 18702  
Duplicate atom serial number found: 18704  
Duplicate atom serial number found: 18706  
Duplicate atom serial number found: 18708  
Ignored bad PDB record found on line 60243  
ATOM 1870a H61 NM5 C1171 30.544 -8.527 -55.702 1.00 0.00 H  
  
Ignored bad PDB record found on line 60244  
ATOM 1870c H61 NM5 C1171 37.048 -6.773 -58.506 1.00 0.00 H  
  
Ignored bad PDB record found on line 60245  
ATOM 1870e H61 NM5 C1171 41.239 -10.476 -59.729 1.00 0.00 H  
  
Duplicate atom serial number found: 18710  
Duplicate atom serial number found: 18712  
Duplicate atom serial number found: 18714  
Duplicate atom serial number found: 18716  
Duplicate atom serial number found: 18718  
Ignored bad PDB record found on line 60251  
ATOM 1871a H62 NM5 C1171 38.170 -7.921 -57.746 1.00 0.00 H  
  
Ignored bad PDB record found on line 60252  
ATOM 1871c H62 NM5 C1171 40.707 -11.916 -60.480 1.00 0.00 H  
  
Ignored bad PDB record found on line 60253  
ATOM 1871e H62 NM5 C1171 44.431 -14.299 -62.932 1.00 0.00 H  
  
Duplicate atom serial number found: 18720  
Duplicate atom serial number found: 18722  
Duplicate atom serial number found: 18724  
Duplicate atom serial number found: 18726  
Duplicate atom serial number found: 18728  
Ignored bad PDB record found on line 60259  
ATOM 1872a H4O NM5 C1171 32.297 -9.951 -65.815 1.00 0.00 H  
  
Ignored bad PDB record found on line 60260  
ATOM 1872c H4O NM5 C1171 31.988 -15.244 -55.074 1.00 0.00 H  
  
Ignored bad PDB record found on line 60261  
ATOM 1872e H6O NM5 C1171 28.683 1.436 -57.334 1.00 0.00 H  
  
Duplicate atom serial number found: 18730  
Duplicate atom serial number found: 18732  
Duplicate atom serial number found: 18734  
Duplicate atom serial number found: 18736  
Duplicate atom serial number found: 18738  
Ignored bad PDB record found on line 60267  
ATOM 1873a H1_2 NM5 C1171 34.296 -7.622 -55.563 1.00 0.00 H  
  
Ignored bad PDB record found on line 60268  
ATOM 1873c H1_3 NM5 C1171 36.052 -11.300 -53.844 1.00 0.00 H  
  
Ignored bad PDB record found on line 60269  
ATOM 1873e H1_4 NM5 C1171 37.657 -7.281 -60.589 1.00 0.00 H  
  
Duplicate atom serial number found: 18740  
Duplicate atom serial number found: 18742  
Duplicate atom serial number found: 18744  
Duplicate atom serial number found: 18746  
Duplicate atom serial number found: 18748  
Ignored bad PDB record found on line 60275  
ATOM 1874a H2_4 NM5 C1171 36.043 -8.680 -61.767 1.00 0.00 H  
  
Ignored bad PDB record found on line 60276  
ATOM 1874c H2_5 NM5 C1171 36.137 -12.357 -65.099 1.00 0.00 H  
  
Ignored bad PDB record found on line 60277  
ATOM 1874e H2_6 NM5 C1171 42.756 -8.905 -62.852 1.00 0.00 H  
  
Duplicate atom serial number found: 18750  
Duplicate atom serial number found: 18752  
Duplicate atom serial number found: 18754  
Duplicate atom serial number found: 18756  
Duplicate atom serial number found: 18758  
Ignored bad PDB record found on line 60283  
ATOM 1875a H3_6 NM5 C1171 41.766 -10.648 -64.392 1.00 0.00 H  
  
Ignored bad PDB record found on line 60284  
ATOM 1875c H4_1 NM5 C1171 32.530 -6.129 -55.518 1.00 0.00 H  
  
Ignored bad PDB record found on line 60285  
ATOM 1875e H4_2 NM5 C1171 36.097 -10.443 -57.825 1.00 0.00 H  
  
Duplicate atom serial number found: 18760  
Duplicate atom serial number found: 18762  
Duplicate atom serial number found: 18764  
Duplicate atom serial number found: 18766  
Duplicate atom serial number found: 18768  
Ignored bad PDB record found on line 60291  
ATOM 1876a H5_2 NM5 C1171 36.591 -7.756 -56.311 1.00 0.00 H  
  
Ignored bad PDB record found on line 60292  
ATOM 1876c H5_3 NM5 C1171 32.767 -12.036 -55.360 1.00 0.00 H  
  
Ignored bad PDB record found on line 60293  
ATOM 1876e H5_4 NM5 C1171 38.692 -10.782 -59.472 1.00 0.00 H  
  
Duplicate atom serial number found: 18770  
Duplicate atom serial number found: 18772  
Duplicate atom serial number found: 18774  
Duplicate atom serial number found: 18776  
Duplicate atom serial number found: 18778  
Ignored bad PDB record found on line 60299  
ATOM 1877a O NLM C1172 22.594 -15.820 -45.332 1.00 0.00 O  
  
Ignored bad PDB record found on line 60300  
ATOM 1877c CB NLM C1172 24.411 -17.029 -47.275 1.00 0.00 C  
  
Ignored bad PDB record found on line 60301  
ATOM 1877e CG NLM C1172 25.028 -18.301 -46.604 1.00 0.00 C  
  
Duplicate atom serial number found: 18780  
Duplicate atom serial number found: 18782  
Duplicate atom serial number found: 18784  
Duplicate atom serial number found: 18786  
Duplicate atom serial number found: 18788  
Ignored bad PDB record found on line 60307  
ATOM 1878a HB3 NLM C1172 24.861 -16.797 -48.240 1.00 0.00 H  
  
Ignored bad PDB record found on line 60308  
ATOM 1878c HD21 NLM C1172 26.589 -18.066 -47.825 1.00 0.00 H  
  
Ignored bad PDB record found on line 60309  
ATOM 1878e CME NM5 C1173 25.056 -21.256 -49.304 1.00 0.00 C  
  
Duplicate atom serial number found: 18790  
Duplicate atom serial number found: 18792  
Duplicate atom serial number found: 18794  
Duplicate atom serial number found: 18796  
Duplicate atom serial number found: 18798  
Ignored bad PDB record found on line 60315  
ATOM 1879a C1_4 NM5 C1173 40.324 -26.119 -45.537 1.00 0.00 C  
  
Ignored bad PDB record found on line 60316  
ATOM 1879c C1_5 NM5 C1173 40.697 -29.263 -49.026 1.00 0.00 C  
  
Ignored bad PDB record found on line 60317  
ATOM 1879e C1_6 NM5 C1173 45.411 -27.445 -43.076 1.00 0.00 C  
  
Ignored bad PDB record found on line 60318  
ATOM 187a0 C2 NM5 C1173 27.161 -20.865 -46.976 1.00 0.00 C  
  
Ignored bad PDB record found on line 60319  
ATOM 187a2 C2_1 NM5 C1173 32.939 -22.478 -45.379 1.00 0.00 C  
  
46 messages similar to the above omitted  
Duplicate atom serial number found: 18800  
Duplicate atom serial number found: 18802  
Duplicate atom serial number found: 18804  
Duplicate atom serial number found: 18806  
Duplicate atom serial number found: 18808  
Ignored bad PDB record found on line 60371  
ATOM 1880a O5 NM5 C1173 28.398 -18.823 -46.511 1.00 0.00 O  
  
Ignored bad PDB record found on line 60372  
ATOM 1880c O5_1 NM5 C1173 31.093 -23.893 -45.964 1.00 0.00 O  
  
Ignored bad PDB record found on line 60373  
ATOM 1880e O5_2 NM5 C1173 36.322 -26.075 -44.925 1.00 0.00 O  
  
Duplicate atom serial number found: 18810  
Duplicate atom serial number found: 18812  
Duplicate atom serial number found: 18814  
Duplicate atom serial number found: 18816  
Duplicate atom serial number found: 18818  
Ignored bad PDB record found on line 60379  
ATOM 1881a C6_1 NM5 C1173 31.098 -26.273 -46.258 1.00 0.00 C  
  
Ignored bad PDB record found on line 60380  
ATOM 1881c C6_2 NM5 C1173 38.462 -26.140 -43.941 1.00 0.00 C  
  
Ignored bad PDB record found on line 60381  
ATOM 1881e C6_3 NM5 C1173 31.618 -30.355 -41.631 1.00 0.00 C  
  
Duplicate atom serial number found: 18820  
Duplicate atom serial number found: 18822  
Duplicate atom serial number found: 18824  
Duplicate atom serial number found: 18826  
Duplicate atom serial number found: 18828  
Ignored bad PDB record found on line 60387  
ATOM 1882a O6_2 NM5 C1173 39.071 -26.791 -45.156 1.00 0.00 O  
  
Ignored bad PDB record found on line 60388  
ATOM 1882c O6_3 NM5 C1173 31.795 -30.883 -40.280 1.00 0.00 O  
  
Ignored bad PDB record found on line 60389  
ATOM 1882e O6_4 NM5 C1173 44.288 -27.356 -43.962 1.00 0.00 O  
  
Duplicate atom serial number found: 18830  
Duplicate atom serial number found: 18832  
Duplicate atom serial number found: 18834  
Duplicate atom serial number found: 18836  
Duplicate atom serial number found: 18838  
Ignored bad PDB record found on line 60395  
ATOM 1883a H4 NM5 C1173 30.065 -20.970 -47.481 1.00 0.00 H  
  
Ignored bad PDB record found on line 60396  
ATOM 1883c H5 NM5 C1173 29.689 -19.396 -44.907 1.00 0.00 H  
  
Ignored bad PDB record found on line 60397  
ATOM 1883e H1M NM5 C1173 25.841 -21.697 -49.917 1.00 0.00 H  
  
Duplicate atom serial number found: 18840  
Duplicate atom serial number found: 18842  
Duplicate atom serial number found: 18844  
Duplicate atom serial number found: 18846  
Duplicate atom serial number found: 18848  
Ignored bad PDB record found on line 60403  
ATOM 1884a H2O NM5 C1173 34.490 -29.334 -46.108 1.00 0.00 H  
  
Ignored bad PDB record found on line 60404  
ATOM 1884c H2O NM5 C1173 41.245 -25.105 -48.050 1.00 0.00 H  
  
Ignored bad PDB record found on line 60405  
ATOM 1884e H2O NM5 C1173 48.587 -26.366 -43.327 1.00 0.00 H  
  
Duplicate atom serial number found: 18850  
Duplicate atom serial number found: 18852  
Duplicate atom serial number found: 18854  
Duplicate atom serial number found: 18856  
Duplicate atom serial number found: 18858  
Ignored bad PDB record found on line 60411  
ATOM 1885a H3O NM5 C1173 35.439 -24.470 -45.068 1.00 0.00 H  
  
Ignored bad PDB record found on line 60412  
ATOM 1885c H3O NM5 C1173 47.554 -26.367 -46.407 1.00 0.00 H  
  
Ignored bad PDB record found on line 60413  
ATOM 1885e H3O NM5 C1173 42.673 -28.732 -53.144 1.00 0.00 H  
  
Duplicate atom serial number found: 18860  
Duplicate atom serial number found: 18862  
Duplicate atom serial number found: 18864  
Duplicate atom serial number found: 18866  
Duplicate atom serial number found: 18868  
Ignored bad PDB record found on line 60419  
ATOM 1886a H61 NM5 C1173 47.128 -31.638 -44.269 1.00 0.00 H  
  
Ignored bad PDB record found on line 60420  
ATOM 1886c H61 NM5 C1173 38.736 -25.772 -51.239 1.00 0.00 H  
  
Ignored bad PDB record found on line 60421  
ATOM 1886e H61 NM5 C1173 31.641 -29.268 -41.697 1.00 0.00 H  
  
Duplicate atom serial number found: 18870  
Duplicate atom serial number found: 18872  
Duplicate atom serial number found: 18874  
Duplicate atom serial number found: 18876  
Duplicate atom serial number found: 18878  
Ignored bad PDB record found on line 60427  
ATOM 1887a H62 NM5 C1173 37.831 -27.252 -51.403 1.00 0.00 H  
  
Ignored bad PDB record found on line 60428  
ATOM 1887c H62 NM5 C1173 30.647 -30.638 -42.037 1.00 0.00 H  
  
Ignored bad PDB record found on line 60429  
ATOM 1887e H4O NM5 C1173 37.618 -29.396 -42.298 1.00 0.00 H  
  
Duplicate atom serial number found: 18880  
Duplicate atom serial number found: 18882  
Duplicate atom serial number found: 18884  
Duplicate atom serial number found: 18886  
Duplicate atom serial number found: 18888  
Ignored bad PDB record found on line 60435  
ATOM 1888a H6O NM5 C1173 29.575 -25.475 -47.094 1.00 0.00 H  
  
Ignored bad PDB record found on line 60436  
ATOM 1888c H6O NM5 C1173 45.915 -32.540 -42.307 1.00 0.00 H  
  
Ignored bad PDB record found on line 60437  
ATOM 1888e H6O NM5 C1173 37.818 -27.056 -48.838 1.00 0.00 H  
  
Duplicate atom serial number found: 18890  
Duplicate atom serial number found: 18892  
Duplicate atom serial number found: 18894  
Duplicate atom serial number found: 18896  
Duplicate atom serial number found: 18898  
Ignored bad PDB record found on line 60443  
ATOM 1889a H1_5 NM5 C1173 40.452 -30.078 -48.344 1.00 0.00 H  
  
Ignored bad PDB record found on line 60444  
ATOM 1889c H1_6 NM5 C1173 45.269 -26.954 -42.113 1.00 0.00 H  
  
Ignored bad PDB record found on line 60445  
ATOM 1889e H2_1 NM5 C1173 32.776 -22.479 -44.301 1.00 0.00 H  
  
Ignored bad PDB record found on line 60446  
ATOM 188a0 H2_2 NM5 C1173 33.628 -28.184 -44.796 1.00 0.00 H  
  
Ignored bad PDB record found on line 60447  
ATOM 188a2 H2_3 NM5 C1173 36.274 -32.577 -43.289 1.00 0.00 H  
  
46 messages similar to the above omitted  
Duplicate atom serial number found: 18900  
Duplicate atom serial number found: 18902  
Duplicate atom serial number found: 18904  
Duplicate atom serial number found: 18906  
Duplicate atom serial number found: 18908  
Ignored bad PDB record found on line 60499  
ATOM 1890a C2N NM5 C1175 25.953 22.394 -53.297 1.00 0.00 C  
  
Ignored bad PDB record found on line 60500  
ATOM 1890c N2 NM5 C1175 22.299 15.171 -53.989 1.00 0.00 N  
  
Ignored bad PDB record found on line 60501  
ATOM 1890e N2_1 NM5 C1175 26.894 21.481 -53.086 1.00 0.00 N  
  
Duplicate atom serial number found: 18910  
Duplicate atom serial number found: 18912  
Duplicate atom serial number found: 18914  
Duplicate atom serial number found: 18916  
Duplicate atom serial number found: 18918  
Ignored bad PDB record found on line 60507  
ATOM 1891a O2N NM5 C1175 21.582 13.281 -53.579 1.00 0.00 O  
  
Ignored bad PDB record found on line 60508  
ATOM 1891c O2N NM5 C1175 24.918 22.501 -52.583 1.00 0.00 O  
  
Ignored bad PDB record found on line 60509  
ATOM 1891e C3 NM5 C1175 23.806 17.142 -53.609 1.00 0.00 C  
  
Duplicate atom serial number found: 18920  
Duplicate atom serial number found: 18922  
Duplicate atom serial number found: 18924  
Duplicate atom serial number found: 18926  
Duplicate atom serial number found: 18928  
Ignored bad PDB record found on line 60515  
ATOM 1892a C3_6 NM5 C1175 34.725 28.877 -42.322 1.00 0.00 C  
  
Ignored bad PDB record found on line 60516  
ATOM 1892c O3 NM5 C1175 24.806 16.292 -52.986 1.00 0.00 O  
  
Ignored bad PDB record found on line 60517  
ATOM 1892e O3_1 NM5 C1175 28.491 21.654 -50.632 1.00 0.00 O  
  
Duplicate atom serial number found: 18930  
Duplicate atom serial number found: 18932  
Duplicate atom serial number found: 18934  
Duplicate atom serial number found: 18936  
Duplicate atom serial number found: 18938  
Ignored bad PDB record found on line 60523  
ATOM 1893a C4 NM5 C1175 24.535 18.412 -54.134 1.00 0.00 C  
  
Ignored bad PDB record found on line 60524  
ATOM 1893c C4_1 NM5 C1175 28.047 19.276 -50.137 1.00 0.00 C  
  
Ignored bad PDB record found on line 60525  
ATOM 1893e C4_2 NM5 C1175 30.952 21.018 -45.992 1.00 0.00 C  
  
Duplicate atom serial number found: 18940  
Duplicate atom serial number found: 18942  
Duplicate atom serial number found: 18944  
Duplicate atom serial number found: 18946  
Duplicate atom serial number found: 18948  
Ignored bad PDB record found on line 60531  
ATOM 1894a O4_1 NM5 C1175 29.426 19.166 -49.460 1.00 0.00 O  
  
Ignored bad PDB record found on line 60532  
ATOM 1894c O4_2 NM5 C1175 30.983 21.369 -44.544 1.00 0.00 O  
  
Ignored bad PDB record found on line 60533  
ATOM 1894e O4_3 NM5 C1175 35.439 15.454 -45.171 1.00 0.00 O  
  
Duplicate atom serial number found: 18950  
Duplicate atom serial number found: 18952  
Duplicate atom serial number found: 18954  
Duplicate atom serial number found: 18956  
Duplicate atom serial number found: 18958  
Ignored bad PDB record found on line 60539  
ATOM 1895a C5_2 NM5 C1175 29.730 21.536 -46.738 1.00 0.00 C  
  
Ignored bad PDB record found on line 60540  
ATOM 1895c C5_3 NM5 C1175 33.209 16.094 -45.724 1.00 0.00 C  
  
Ignored bad PDB record found on line 60541  
ATOM 1895e C5_4 NM5 C1175 32.341 24.711 -44.727 1.00 0.00 C  
  
Duplicate atom serial number found: 18960  
Duplicate atom serial number found: 18962  
Duplicate atom serial number found: 18964  
Duplicate atom serial number found: 18966  
Duplicate atom serial number found: 18968  
Ignored bad PDB record found on line 60547  
ATOM 1896a O5_3 NM5 C1175 31.884 16.583 -45.213 1.00 0.00 O  
  
Ignored bad PDB record found on line 60548  
ATOM 1896c O5_4 NM5 C1175 31.104 25.157 -45.441 1.00 0.00 O  
  
Ignored bad PDB record found on line 60549  
ATOM 1896e O5_5 NM5 C1175 34.401 23.860 -49.596 1.00 0.00 O  
  
Duplicate atom serial number found: 18970  
Duplicate atom serial number found: 18972  
Duplicate atom serial number found: 18974  
Duplicate atom serial number found: 18976  
Duplicate atom serial number found: 18978  
Ignored bad PDB record found on line 60555  
ATOM 1897a C6_4 NM5 C1175 32.278 25.149 -43.251 1.00 0.00 C  
  
Ignored bad PDB record found on line 60556  
ATOM 1897c C6_5 NM5 C1175 33.043 23.661 -51.657 1.00 0.00 C  
  
Ignored bad PDB record found on line 60557  
ATOM 1897e C6_6 NM5 C1175 37.073 25.892 -41.930 1.00 0.00 C  
  
Duplicate atom serial number found: 18980  
Duplicate atom serial number found: 18982  
Duplicate atom serial number found: 18984  
Duplicate atom serial number found: 18986  
Duplicate atom serial number found: 18988  
Ignored bad PDB record found on line 60563  
ATOM 1898a O6_5 NM5 C1175 33.773 22.559 -52.123 1.00 0.00 O  
  
Ignored bad PDB record found on line 60564  
ATOM 1898c O6_6 NM5 C1175 36.762 24.524 -41.980 1.00 0.00 O  
  
Ignored bad PDB record found on line 60565  
ATOM 1898e H1 NM5 C1175 21.253 17.254 -55.331 1.00 0.00 H  
  
Duplicate atom serial number found: 18990  
Duplicate atom serial number found: 18992  
Duplicate atom serial number found: 18994  
Duplicate atom serial number found: 18996  
Duplicate atom serial number found: 18998  
Ignored bad PDB record found on line 60571  
ATOM 1899a H1M NM5 C1175 27.151 23.764 -54.433 1.00 0.00 H  
  
Ignored bad PDB record found on line 60572  
ATOM 1899c H2M NM5 C1175 23.757 12.634 -55.179 1.00 0.00 H  
  
Ignored bad PDB record found on line 60573  
ATOM 1899e H2M NM5 C1175 25.454 24.226 -54.248 1.00 0.00 H  
  
Ignored bad PDB record found on line 60574  
ATOM 189a0 H2N NM5 C1175 21.789 15.463 -53.167 1.00 0.00 H  
  
Ignored bad PDB record found on line 60575  
ATOM 189a2 H2N NM5 C1175 27.605 21.243 -53.762 1.00 0.00 H  
  
560 messages similar to the above omitted  
  
Chain information for system_stripped.pdb #1  
---  
Chain | Description  
A B C | No description available  
  

> isolde start

> set selectionWidth 4

Chain information for system_stripped.pdb  
---  
Chain | Description  
1.2/A 1.2/B 1.2/C | No description available  
  
Done loading forcefield  

> open /run/media/tic20/storage/structure_dump/covid-19/de_shaw/DESRES-
> Trajectory_sarscov2-11021566-no-water-zinc-glueCA/sarscov2-11021566-no-
> water-zinc-glueCA/sarscov2-11021566-no-water-zinc-glueCA-0000.dcd

Must specify a structure model to read the coordinates into  

> open /run/media/tic20/storage/structure_dump/covid-19/de_shaw/DESRES-
> Trajectory_sarscov2-11021566-no-water-zinc-glueCA/sarscov2-11021566-no-
> water-zinc-glueCA/sarscov2-11021566-no-water-zinc-glueCA-0000.dcd format dcd

Must specify a structure model to read the coordinates into  

> open sarscov2-11021566-no-water-zinc-glueCA-0000.dcd structureModel #1

Traceback (most recent call last):  
File "/opt/UCSF/ChimeraX/lib/python3.7/site-
packages/chimerax/cmd_line/tool.py", line 258, in execute  
cmd.run(cmd_text)  
File "/opt/UCSF/ChimeraX/lib/python3.7/site-
packages/chimerax/core/commands/cli.py", line 2849, in run  
result = ci.function(session, **kw_args)  
File "/opt/UCSF/ChimeraX/lib/python3.7/site-
packages/chimerax/open_command/cmd.py", line 101, in cmd_open  
Command(session, registry=registry).run(provider_cmd_text, log=log)  
File "/opt/UCSF/ChimeraX/lib/python3.7/site-
packages/chimerax/core/commands/cli.py", line 2849, in run  
result = ci.function(session, **kw_args)  
File "/opt/UCSF/ChimeraX/lib/python3.7/site-
packages/chimerax/open_command/cmd.py", line 152, in provider_open  
name or model_name_from_path(fi.file_name)), provider_kw)  
File "/opt/UCSF/ChimeraX/lib/python3.7/site-
packages/chimerax/open_command/cmd.py", line 380, in collated_open  
return func(*func_args, **func_kw)  
File "/opt/UCSF/ChimeraX/lib/python3.7/site-
packages/chimerax/atomic/md_crds/__init__.py", line 45, in open  
replace=replace)  
File "/opt/UCSF/ChimeraX/lib/python3.7/site-
packages/chimerax/atomic/md_crds/read_coords.py", line 34, in read_coords  
dcd = DCD(file_name)  
File "/opt/UCSF/ChimeraX/lib/python3.7/site-
packages/chimerax/atomic/md_crds/dcd/MDToolsMarch97/md_DCD.py", line 175, in
__init__  
dat = [c.decode('utf-8') for c in up('80c',f.read(cs('80c')))]  
File "/opt/UCSF/ChimeraX/lib/python3.7/site-
packages/chimerax/atomic/md_crds/dcd/MDToolsMarch97/md_DCD.py", line 175, in
<listcomp>  
dat = [c.decode('utf-8') for c in up('80c',f.read(cs('80c')))]  
UnicodeDecodeError: 'utf-8' codec can't decode byte 0xe9 in position 0:
unexpected end of data  
  
UnicodeDecodeError: 'utf-8' codec can't decode byte 0xe9 in position 0:
unexpected end of data  
  
File "/opt/UCSF/ChimeraX/lib/python3.7/site-
packages/chimerax/atomic/md_crds/dcd/MDToolsMarch97/md_DCD.py", line 175, in  
dat = [c.decode('utf-8') for c in up('80c',f.read(cs('80c')))]  
  
See log for complete Python traceback.  
  

> usage open

open fileNames restOfLine  
— Open/fetch data files  
fileNames: file names to open  
restOfLine: the rest of line

open formats  
— report formats that can be opened  

> open formats

File format| Short name(s)| Suffixes  
---|---|---  
Amira mesh| amira| .am  
APBS potential| apbs| .dx  
AutoDock PDBQT| pdbqt| .pdbqt  
BRIX density map| brix| .brix  
CCP4 density map| ccp4| .ccp4, .map  
Chimera map| cmap| .cmap, .cmp  
ChimeraX commands| cmd| .cxc  
ChimeraX session| session| .cxs  
Clustal ALN sequence| aln or clustal| .aln, .clustal, .clustalw, .clustalx  
CNS or XPLOR density map| xplor| .cns, .xplor  
COLLADA| collada| .dae  
Compiled Python code| compiled python| .pyc, .pyo  
DCD trajectory format| dcd| .dcd  
DelPhi or GRASP potential| delphi| .phi  
DeltaVision map| dv| .dv  
DICOM medical imaging| dicom| .dcm  
Direction dependent resolution values| fsc| .dres  
DOCK scoring grid| dock| .bmp, .cnt, .nrg  
DSN6 density map| dsn6| .omap  
EMAN HDF map| emanhdf| .hdf, .hdf5, .h5  
FASTA sequence| fasta| .fa, .fasta, .afasta, .afa  
Gaussian cube grid| cube| .cube, .cub  
MSF sequence| msf| .msf  
RSF sequence| rsf| .rsf  
glTF| gltf| .glb  
gOpenMol grid| gopenmol| .plt  
Gromacs xtc format| xtc| .xtc  
Gromacs trr format| trr| .trr  
HDF map| hdf|  
HSSP sequence| hssp| .hssp  
HTML| html| .html, .htm, .xhtml, .xht, .xml  
Image stack| images| .tif, .tiff, .png, .pgm  
IMAGIC density map| imagic| .hed, .img  
Imaris map| ims| .ims  
IMOD map| imodmap| .rec  
Integrative/Hybrid Models| ihm| .ihm  
MacMolPlt grid| macmolplt| .mmp  
Macromolecular Transmission| mmtf| .mmtf  
Marker model| markers| .cmm  
MOL/SDF| sdf| .sdf, .mol  
mmCIF| mmcif| .cif, .mmcif  
MRC density map| mrc| .mrc  
PIR sequence| pir| .ali, .pir  
NetCDF generic array| netcdf| .nc  
PDB| pdb| .pdb, .pdb1, .ent, .pqr  
Pfam sequence| pfam| .selex, .slx, .pfam  
Priism microscope image| priism| .xyzw, .xyzt  
PROFEC free energy grid| profec| .profec  
Interatomic pseudobonds| pseudobonds| .pb  
Purdue image format| pif| .pif  
Python code| python| .py  
Segger segmentation| segger| .seg  
SITUS map file| situs| .sit, .situs  
SPIDER volume data| spider| .spi, .vol  
STL (3D printing)| stl| .stl  
Stockholm sequence| stockholm| .sth, .sto  
STORM microscopy| storm| .storm  
Mol2| mol2| .mol2  
TOM toolbox EM density map| tom_em| .em  
Chimera BILD object| bild| .bild, .bld  
UHBD grid, binary| uhbd| .grd  
VTK PolyData| vtk| .vtk  
Wavefront OBJ| obj| .obj  
  
Database| Formats  
---|---  
ccd| ccd  
cellPACK| cellpack  
eds| ccp4  
edsdiff| ccp4  
emdb| ccp4  
pdb| mmcif, mmtf, pdb  
pdbdev| ihm  
pdbe| mmcif, pdb  
pdbj| mmcif, pdb  
pubchem| sdf  
smiles| smiles  
uniprot| uniprot  
  

> help help:user




OpenGL version: 3.3.0 NVIDIA 440.33.01
OpenGL renderer: TITAN Xp/PCIe/SSE2
OpenGL vendor: NVIDIA Corporation
Manufacturer: Dell Inc.
Model: Precision T5600
OS: CentOS Linux 7 Core
Architecture: 64bit ELF
CPU: 32 Intel(R) Xeon(R) CPU E5-2687W 0 @ 3.10GHz
Cache Size: 20480 KB
Memory:
	              total        used        free      shared  buff/cache   available
	Mem:            62G        4.0G         33G        250M         25G         57G
	Swap:          4.9G          0B        4.9G

Graphics:
	03:00.0 VGA compatible controller [0300]: NVIDIA Corporation GP102 [TITAN Xp] [10de:1b02] (rev a1)	
	Subsystem: NVIDIA Corporation Device [10de:11df]	
	Kernel driver in use: nvidia

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