Changes between Initial Version and Version 1 of Ticket #3225


Ignore:
Timestamp:
May 18, 2020, 9:19:50 AM (6 years ago)
Author:
Eric Pettersen
Comment:

Legend:

Unmodified
Added
Removed
Modified

  • Ticket #3225

    • Property Cc Tom Goddard added
    • Property Component Unassigned → MD/Ensemble Analysis
    • Property Owner set to Eric Pettersen
    • Property Platform → all
    • Property Project → ChimeraX
    • Property Status new → accepted
    • Property Summary ChimeraX bug report submission → Failure reading DCD: unexpected end of data

  • Ticket #3225 – Description

    initial v1  
    597597ATOM 1907e HWS SOL W 107 89.526 -87.645 -90.615 1.00 0.00 H 
    598598 
    599 Duplicate atom serial number found: 19080 
    600 Duplicate atom serial number found: 19082 
    601 Duplicate atom serial number found: 19084 
    602 Duplicate atom serial number found: 19086 
    603 Duplicate atom serial number found: 19088 
    604 Ignored bad PDB record found on line 61459 
    605 ATOM 1908a HWS SOL W 109 -78.745 -82.179 -74.513 1.00 0.00 H 
    606  
    607 Ignored bad PDB record found on line 61460 
    608 ATOM 1908c OWS SOL W 110 85.917 -89.178 89.082 1.00 0.00 O 
    609  
    610 Ignored bad PDB record found on line 61461 
    611 ATOM 1908e HWS SOL W 110 85.255 -88.935 88.435 1.00 0.00 H 
    612  
    613 Duplicate atom serial number found: 19090 
    614 Duplicate atom serial number found: 19092 
    615 Duplicate atom serial number found: 19094 
    616 Duplicate atom serial number found: 19096 
    617 Duplicate atom serial number found: 19098 
    618 Ignored bad PDB record found on line 61467 
    619 ATOM 1909a HWS SOL W 112 83.703 -84.362 -76.480 1.00 0.00 H 
    620  
    621 Ignored bad PDB record found on line 61468 
    622 ATOM 1909c HWS SOL W 112 84.179 -82.971 -76.844 1.00 0.00 H 
    623  
    624 Ignored bad PDB record found on line 61469 
    625 ATOM 1909e OWS SOL W 113 -80.137 82.036 -78.443 1.00 0.00 O 
    626  
    627 Ignored bad PDB record found on line 61470 
    628 ATOM 190a0 HWS SOL W 113 -79.284 81.600 -78.465 1.00 0.00 H 
    629  
    630 Ignored bad PDB record found on line 61471 
    631 ATOM 190a2 HWS SOL W 113 -80.172 82.536 -79.258 1.00 0.00 H 
    632  
    633 46 messages similar to the above omitted 
    634 Duplicate atom serial number found: 19100 
    635 Duplicate atom serial number found: 19102 
    636 Duplicate atom serial number found: 19104 
    637 Duplicate atom serial number found: 19106 
    638 Duplicate atom serial number found: 19108 
    639 Ignored bad PDB record found on line 61523 
    640 ATOM 1910a OWS SOL W 131 -74.319 87.329 -80.322 1.00 0.00 O 
    641  
    642 Ignored bad PDB record found on line 61524 
    643 ATOM 1910c HWS SOL W 131 -73.507 87.161 -79.845 1.00 0.00 H 
    644  
    645 Ignored bad PDB record found on line 61525 
    646 ATOM 1910e HWS SOL W 131 -74.035 87.564 -81.206 1.00 0.00 H 
    647  
    648 Duplicate atom serial number found: 19110 
    649 Duplicate atom serial number found: 19112 
    650 Duplicate atom serial number found: 19114 
    651 Duplicate atom serial number found: 19116 
    652 Duplicate atom serial number found: 19118 
    653 Ignored bad PDB record found on line 61531 
    654 ATOM 1911a HWS SOL W 133 -43.620 -82.733 -86.606 1.00 0.00 H 
    655  
    656 Ignored bad PDB record found on line 61532 
    657 ATOM 1911c OWS SOL W 134 -60.555 -71.546 -88.534 1.00 0.00 O 
    658  
    659 Ignored bad PDB record found on line 61533 
    660 ATOM 1911e HWS SOL W 134 -60.380 -72.474 -88.692 1.00 0.00 H 
    661  
    662 Duplicate atom serial number found: 19120 
    663 Duplicate atom serial number found: 19122 
    664 Duplicate atom serial number found: 19124 
    665 Duplicate atom serial number found: 19126 
    666 Duplicate atom serial number found: 19128 
    667 Ignored bad PDB record found on line 61539 
    668 ATOM 1912a HWS SOL W 137 86.652 87.850 -84.673 1.00 0.00 H 
    669  
    670 Ignored bad PDB record found on line 61540 
    671 ATOM 1912c HWS SOL W 137 85.592 88.058 -85.733 1.00 0.00 H 
    672  
    673 Ignored bad PDB record found on line 61541 
    674 ATOM 1912e OWS SOL W 138 -69.709 -85.307 -86.694 1.00 0.00 O 
    675  
    676 Duplicate atom serial number found: 19130 
    677 Duplicate atom serial number found: 19132 
    678 Duplicate atom serial number found: 19134 
    679 Duplicate atom serial number found: 19136 
    680 Duplicate atom serial number found: 19138 
    681 Ignored bad PDB record found on line 61547 
    682 ATOM 1913a OWS SOL W 140 -85.086 -78.425 -88.498 1.00 0.00 O 
    683  
    684 Ignored bad PDB record found on line 61548 
    685 ATOM 1913c HWS SOL W 140 -85.708 -78.149 -89.171 1.00 0.00 H 
    686  
    687 Ignored bad PDB record found on line 61549 
    688 ATOM 1913e HWS SOL W 140 -85.022 -77.674 -87.908 1.00 0.00 H 
    689  
    690 Duplicate atom serial number found: 19140 
    691 Duplicate atom serial number found: 19142 
    692 Duplicate atom serial number found: 19144 
    693 Duplicate atom serial number found: 19146 
    694 Duplicate atom serial number found: 19148 
    695 Ignored bad PDB record found on line 61555 
    696 ATOM 1914a HWS SOL W 142 -54.376 -81.129 82.715 1.00 0.00 H 
    697  
    698 Ignored bad PDB record found on line 61556 
    699 ATOM 1914c OWS SOL W 143 83.673 88.531 76.365 1.00 0.00 O 
    700  
    701 Ignored bad PDB record found on line 61557 
    702 ATOM 1914e HWS SOL W 143 82.921 88.141 75.920 1.00 0.00 H 
    703  
    704 Duplicate atom serial number found: 19150 
    705 Duplicate atom serial number found: 19152 
    706 Duplicate atom serial number found: 19154 
    707 Duplicate atom serial number found: 19156 
    708 Duplicate atom serial number found: 19158 
    709 Ignored bad PDB record found on line 61563 
    710 ATOM 1915a HWS SOL W 145 77.214 -77.677 -84.970 1.00 0.00 H 
    711  
    712 Ignored bad PDB record found on line 61564 
    713 ATOM 1915c HWS SOL W 145 77.800 -77.608 -83.576 1.00 0.00 H 
    714  
    715 Ignored bad PDB record found on line 61565 
    716 ATOM 1915e OWS SOL W 146 -81.369 -78.996 -80.841 1.00 0.00 O 
    717  
    718 Duplicate atom serial number found: 19160 
    719 Duplicate atom serial number found: 19162 
    720 Duplicate atom serial number found: 19164 
    721 Duplicate atom serial number found: 19166 
    722 Duplicate atom serial number found: 19168 
    723 Ignored bad PDB record found on line 61571 
    724 ATOM 1916a OWS SOL W 148 87.635 69.167 89.124 1.00 0.00 O 
    725  
    726 Ignored bad PDB record found on line 61572 
    727 ATOM 1916c HWS SOL W 148 87.056 69.924 89.209 1.00 0.00 H 
    728  
    729 Ignored bad PDB record found on line 61573 
    730 ATOM 1916e HWS SOL W 148 87.045 68.414 89.097 1.00 0.00 H 
    731  
    732 Duplicate atom serial number found: 19170 
    733 Duplicate atom serial number found: 19172 
    734 Duplicate atom serial number found: 19174 
    735 Duplicate atom serial number found: 19176 
    736 Duplicate atom serial number found: 19178 
    737 Ignored bad PDB record found on line 61579 
    738 ATOM 1917a HWS SOL W 150 -80.798 -70.786 -70.803 1.00 0.00 H 
    739  
    740 Ignored bad PDB record found on line 61580 
    741 ATOM 1917c OWS SOL W 151 -83.857 -80.914 -89.311 1.00 0.00 O 
    742  
    743 Ignored bad PDB record found on line 61581 
    744 ATOM 1917e HWS SOL W 151 -83.771 -81.350 -88.463 1.00 0.00 H 
    745  
    746 Duplicate atom serial number found: 19180 
    747 Duplicate atom serial number found: 19182 
    748 Duplicate atom serial number found: 19184 
    749 Duplicate atom serial number found: 19186 
    750 Duplicate atom serial number found: 19188 
    751 Ignored bad PDB record found on line 61587 
    752 ATOM 1918a HWS SOL W 153 -83.135 -65.455 -76.027 1.00 0.00 H 
    753  
    754 Ignored bad PDB record found on line 61588 
    755 ATOM 1918c HWS SOL W 153 -84.232 -64.412 -75.996 1.00 0.00 H 
    756  
    757 Ignored bad PDB record found on line 61589 
    758 ATOM 1918e OWS SOL W 154 -60.948 -80.201 72.565 1.00 0.00 O 
    759  
    760 Duplicate atom serial number found: 19190 
    761 Duplicate atom serial number found: 19192 
    762 Duplicate atom serial number found: 19194 
    763 Duplicate atom serial number found: 19196 
    764 Duplicate atom serial number found: 19198 
    765 Ignored bad PDB record found on line 61595 
    766 ATOM 1919a OWS SOL W 156 -62.337 -78.841 74.586 1.00 0.00 O 
    767  
    768 Ignored bad PDB record found on line 61596 
    769 ATOM 1919c HWS SOL W 156 -62.069 -79.499 73.945 1.00 0.00 H 
    770  
    771 Ignored bad PDB record found on line 61597 
    772 ATOM 1919e HWS SOL W 156 -63.289 -78.923 74.631 1.00 0.00 H 
    773  
    774 Ignored bad PDB record found on line 61598 
    775 ATOM 191a0 OWS SOL W 157 85.819 -61.063 79.853 1.00 0.00 O 
    776  
    777 Ignored bad PDB record found on line 61599 
    778 ATOM 191a2 HWS SOL W 157 86.493 -60.413 79.653 1.00 0.00 H 
    779  
    780 46 messages similar to the above omitted 
    781 Duplicate atom serial number found: 19200 
    782 Duplicate atom serial number found: 19202 
    783 Duplicate atom serial number found: 19204 
    784 Duplicate atom serial number found: 19206 
    785 Duplicate atom serial number found: 19208 
    786 Ignored bad PDB record found on line 61651 
    787 ATOM 1920a HWS SOL W 174 -72.601 78.097 -86.273 1.00 0.00 H 
    788  
    789 Ignored bad PDB record found on line 61652 
    790 ATOM 1920c OWS SOL W 175 -62.578 -83.259 78.625 1.00 0.00 O 
    791  
    792 Ignored bad PDB record found on line 61653 
    793 ATOM 1920e HWS SOL W 175 -62.861 -82.762 77.857 1.00 0.00 H 
    794  
    795 Duplicate atom serial number found: 19210 
    796 Duplicate atom serial number found: 19212 
    797 Duplicate atom serial number found: 19214 
    798 Duplicate atom serial number found: 19216 
    799 Duplicate atom serial number found: 19218 
    800 Ignored bad PDB record found on line 61659 
    801 ATOM 1921a HWS SOL W 177 -79.805 -86.881 79.961 1.00 0.00 H 
    802  
    803 Ignored bad PDB record found on line 61660 
    804 ATOM 1921c HWS SOL W 177 -78.988 -86.193 81.033 1.00 0.00 H 
    805  
    806 Ignored bad PDB record found on line 61661 
    807 ATOM 1921e OWS SOL W 178 -48.977 -75.883 -79.721 1.00 0.00 O 
    808  
    809 Duplicate atom serial number found: 19220 
    810 Duplicate atom serial number found: 19222 
    811 Duplicate atom serial number found: 19224 
    812 Duplicate atom serial number found: 19226 
    813 Duplicate atom serial number found: 19228 
    814 Ignored bad PDB record found on line 61667 
    815 ATOM 1922a OWS SOL W 180 -67.829 83.195 -81.735 1.00 0.00 O 
    816  
    817 Ignored bad PDB record found on line 61668 
    818 ATOM 1922c HWS SOL W 180 -66.921 83.159 -82.037 1.00 0.00 H 
    819  
    820 Ignored bad PDB record found on line 61669 
    821 ATOM 1922e HWS SOL W 180 -67.967 82.359 -81.290 1.00 0.00 H 
    822  
    823 Duplicate atom serial number found: 19230 
    824 Duplicate atom serial number found: 19232 
    825 Duplicate atom serial number found: 19234 
    826 Duplicate atom serial number found: 19236 
    827 Duplicate atom serial number found: 19238 
    828 Ignored bad PDB record found on line 61675 
    829 ATOM 1923a HWS SOL W 182 -83.824 -76.376 -51.971 1.00 0.00 H 
    830  
    831 Ignored bad PDB record found on line 61676 
    832 ATOM 1923c OWS SOL W 183 87.646 -74.390 87.174 1.00 0.00 O 
    833  
    834 Ignored bad PDB record found on line 61677 
    835 ATOM 1923e HWS SOL W 183 87.910 -74.286 88.088 1.00 0.00 H 
    836  
    837 Duplicate atom serial number found: 19240 
    838 Duplicate atom serial number found: 19242 
    839 Duplicate atom serial number found: 19244 
    840 Duplicate atom serial number found: 19246 
    841 Duplicate atom serial number found: 19248 
    842 Ignored bad PDB record found on line 61683 
    843 ATOM 1924a HWS SOL W 185 -58.734 -81.912 -80.131 1.00 0.00 H 
    844  
    845 Ignored bad PDB record found on line 61684 
    846 ATOM 1924c HWS SOL W 185 -58.825 -80.424 -80.392 1.00 0.00 H 
    847  
    848 Ignored bad PDB record found on line 61685 
    849 ATOM 1924e OWS SOL W 186 -82.581 -65.015 -81.799 1.00 0.00 O 
    850  
    851 Duplicate atom serial number found: 19250 
    852 Duplicate atom serial number found: 19252 
    853 Duplicate atom serial number found: 19254 
    854 Duplicate atom serial number found: 19256 
    855 Duplicate atom serial number found: 19258 
    856 Ignored bad PDB record found on line 61691 
    857 ATOM 1925a OWS SOL W 188 -84.287 89.638 82.098 1.00 0.00 O 
    858  
    859 Ignored bad PDB record found on line 61692 
    860 ATOM 1925c HWS SOL W 188 -84.016 88.858 81.613 1.00 0.00 H 
    861  
    862 Ignored bad PDB record found on line 61693 
    863 ATOM 1925e HWS SOL W 188 -83.979 90.371 81.565 1.00 0.00 H 
    864  
    865 Duplicate atom serial number found: 19260 
    866 Duplicate atom serial number found: 19262 
    867 Duplicate atom serial number found: 19264 
    868 Duplicate atom serial number found: 19266 
    869 Duplicate atom serial number found: 19268 
    870 Ignored bad PDB record found on line 61699 
    871 ATOM 1926a HWS SOL W 190 -71.458 86.755 -84.196 1.00 0.00 H 
    872  
    873 Ignored bad PDB record found on line 61700 
    874 ATOM 1926c OWS SOL W 191 89.639 -69.074 -89.076 1.00 0.00 O 
    875  
    876 Ignored bad PDB record found on line 61701 
    877 ATOM 1926e HWS SOL W 191 89.829 -68.261 -89.543 1.00 0.00 H 
    878  
    879 Duplicate atom serial number found: 19270 
    880 Duplicate atom serial number found: 19272 
    881 Duplicate atom serial number found: 19274 
    882 Duplicate atom serial number found: 19276 
    883 Duplicate atom serial number found: 19278 
    884 Ignored bad PDB record found on line 61707 
    885 ATOM 1927a HWS SOL W 193 -68.341 -72.633 -78.021 1.00 0.00 H 
    886  
    887 Ignored bad PDB record found on line 61708 
    888 ATOM 1927c HWS SOL W 193 -69.449 -73.520 -78.549 1.00 0.00 H 
    889  
    890 Ignored bad PDB record found on line 61709 
    891 ATOM 1927e OWS SOL W 194 -86.934 -80.507 85.737 1.00 0.00 O 
    892  
    893 Duplicate atom serial number found: 19280 
    894 Duplicate atom serial number found: 19282 
    895 Duplicate atom serial number found: 19284 
    896 Duplicate atom serial number found: 19286 
    897 Duplicate atom serial number found: 19288 
    898 Ignored bad PDB record found on line 61715 
    899 ATOM 1928a OWS SOL W 196 -65.597 -77.356 -71.447 1.00 0.00 O 
    900  
    901 Ignored bad PDB record found on line 61716 
    902 ATOM 1928c HWS SOL W 196 -65.441 -78.158 -70.948 1.00 0.00 H 
    903  
    904 Ignored bad PDB record found on line 61717 
    905 ATOM 1928e HWS SOL W 196 -65.727 -76.681 -70.781 1.00 0.00 H 
    906  
    907 Duplicate atom serial number found: 19290 
    908 Duplicate atom serial number found: 19292 
    909 Duplicate atom serial number found: 19294 
    910 Duplicate atom serial number found: 19296 
    911 Duplicate atom serial number found: 19298 
    912 Ignored bad PDB record found on line 61723 
    913 ATOM 1929a HWS SOL W 198 -87.441 -75.688 -79.591 1.00 0.00 H 
    914  
    915 Ignored bad PDB record found on line 61724 
    916 ATOM 1929c OWS SOL W 199 89.804 82.713 -85.549 1.00 0.00 O 
    917  
    918 Ignored bad PDB record found on line 61725 
    919 ATOM 1929e HWS SOL W 199 89.086 82.083 -85.482 1.00 0.00 H 
    920  
    921 Ignored bad PDB record found on line 61726 
    922 ATOM 192a0 HWS SOL W 199 90.536 82.290 -85.101 1.00 0.00 H 
    923  
    924 Ignored bad PDB record found on line 61727 
    925 ATOM 192a2 OWS SOL W 200 89.034 79.909 -65.345 1.00 0.00 O 
    926  
    927 46 messages similar to the above omitted 
    928 Duplicate atom serial number found: 19300 
    929 Duplicate atom serial number found: 19302 
    930 Duplicate atom serial number found: 19304 
    931 Duplicate atom serial number found: 19306 
    932 Duplicate atom serial number found: 19308 
    933 Ignored bad PDB record found on line 61779 
    934 ATOM 1930a HWS SOL W 217 -77.121 -84.467 -90.591 1.00 0.00 H 
    935  
    936 Ignored bad PDB record found on line 61780 
    937 ATOM 1930c HWS SOL W 217 -76.284 -83.743 -89.557 1.00 0.00 H 
    938  
    939 Ignored bad PDB record found on line 61781 
    940 ATOM 1930e OWS SOL W 218 -70.794 -82.643 76.325 1.00 0.00 O 
    941  
    942 Duplicate atom serial number found: 19310 
    943 Duplicate atom serial number found: 19312 
    944 Duplicate atom serial number found: 19314 
    945 Duplicate atom serial number found: 19316 
    946 Duplicate atom serial number found: 19318 
    947 Ignored bad PDB record found on line 61787 
    948 ATOM 1931a OWS SOL W 220 -65.542 77.344 -68.476 1.00 0.00 O 
    949  
    950 Ignored bad PDB record found on line 61788 
    951 ATOM 1931c HWS SOL W 220 -65.501 76.565 -67.921 1.00 0.00 H 
    952  
    953 Ignored bad PDB record found on line 61789 
    954 ATOM 1931e HWS SOL W 220 -65.461 77.007 -69.368 1.00 0.00 H 
    955  
    956 Duplicate atom serial number found: 19320 
    957 Duplicate atom serial number found: 19322 
    958 Duplicate atom serial number found: 19324 
    959 Duplicate atom serial number found: 19326 
    960 Duplicate atom serial number found: 19328 
    961 Ignored bad PDB record found on line 61795 
    962 ATOM 1932a HWS SOL W 222 -74.795 90.552 85.024 1.00 0.00 H 
    963  
    964 Ignored bad PDB record found on line 61796 
    965 ATOM 1932c OWS SOL W 223 -70.471 -62.725 -76.370 1.00 0.00 O 
    966  
    967 Ignored bad PDB record found on line 61797 
    968 ATOM 1932e HWS SOL W 223 -71.218 -63.221 -76.705 1.00 0.00 H 
    969  
    970 Duplicate atom serial number found: 19330 
    971 Duplicate atom serial number found: 19332 
    972 Duplicate atom serial number found: 19334 
    973 Duplicate atom serial number found: 19336 
    974 Duplicate atom serial number found: 19338 
    975 Ignored bad PDB record found on line 61803 
    976 ATOM 1933a HWS SOL W 225 -73.747 -89.130 -89.562 1.00 0.00 H 
    977  
    978 Ignored bad PDB record found on line 61804 
    979 ATOM 1933c HWS SOL W 225 -73.270 -90.553 -89.755 1.00 0.00 H 
    980  
    981 Ignored bad PDB record found on line 61805 
    982 ATOM 1933e OWS SOL W 226 -78.159 87.315 84.318 1.00 0.00 O 
    983  
    984 Duplicate atom serial number found: 19340 
    985 Duplicate atom serial number found: 19342 
    986 Duplicate atom serial number found: 19344 
    987 Duplicate atom serial number found: 19346 
    988 Duplicate atom serial number found: 19348 
    989 Ignored bad PDB record found on line 61811 
    990 ATOM 1934a OWS SOL W 228 -88.859 -73.777 -72.377 1.00 0.00 O 
    991  
    992 Ignored bad PDB record found on line 61812 
    993 ATOM 1934c HWS SOL W 228 -88.204 -73.421 -71.776 1.00 0.00 H 
    994  
    995 Ignored bad PDB record found on line 61813 
    996 ATOM 1934e HWS SOL W 228 -88.533 -74.650 -72.597 1.00 0.00 H 
    997  
    998 Duplicate atom serial number found: 19350 
    999 Duplicate atom serial number found: 19352 
    1000 Duplicate atom serial number found: 19354 
    1001 Duplicate atom serial number found: 19356 
    1002 Duplicate atom serial number found: 19358 
    1003 Ignored bad PDB record found on line 61819 
    1004 ATOM 1935a HWS SOL W 230 -65.724 86.662 -71.955 1.00 0.00 H 
    1005  
    1006 Ignored bad PDB record found on line 61820 
    1007 ATOM 1935c OWS SOL W 231 -86.735 -67.399 -62.532 1.00 0.00 O 
    1008  
    1009 Ignored bad PDB record found on line 61821 
    1010 ATOM 1935e HWS SOL W 231 -85.790 -67.543 -62.478 1.00 0.00 H 
    1011  
    1012 Duplicate atom serial number found: 19360 
    1013 Duplicate atom serial number found: 19362 
    1014 Duplicate atom serial number found: 19364 
    1015 Duplicate atom serial number found: 19366 
    1016 Duplicate atom serial number found: 19368 
    1017 Ignored bad PDB record found on line 61827 
    1018 ATOM 1936a HWS SOL W 233 -66.384 65.727 -86.934 1.00 0.00 H 
    1019  
    1020 Ignored bad PDB record found on line 61828 
    1021 ATOM 1936c HWS SOL W 233 -67.532 66.708 -86.829 1.00 0.00 H 
    1022  
    1023 Ignored bad PDB record found on line 61829 
    1024 ATOM 1936e OWS SOL W 234 -67.814 -86.492 -68.010 1.00 0.00 O 
    1025  
    1026 Duplicate atom serial number found: 19370 
    1027 Duplicate atom serial number found: 19372 
    1028 Duplicate atom serial number found: 19374 
    1029 Duplicate atom serial number found: 19376 
    1030 Duplicate atom serial number found: 19378 
    1031 Ignored bad PDB record found on line 61835 
    1032 ATOM 1937a OWS SOL W 236 -74.096 77.054 -68.380 1.00 0.00 O 
    1033  
    1034 Ignored bad PDB record found on line 61836 
    1035 ATOM 1937c HWS SOL W 236 -73.440 77.692 -68.659 1.00 0.00 H 
    1036  
    1037 Ignored bad PDB record found on line 61837 
    1038 ATOM 1937e HWS SOL W 236 -73.598 76.390 -67.904 1.00 0.00 H 
    1039  
    1040 Duplicate atom serial number found: 19380 
    1041 Duplicate atom serial number found: 19382 
    1042 Duplicate atom serial number found: 19384 
    1043 Duplicate atom serial number found: 19386 
    1044 Duplicate atom serial number found: 19388 
    1045 Ignored bad PDB record found on line 61843 
    1046 ATOM 1938a HWS SOL W 238 -65.340 79.392 -76.132 1.00 0.00 H 
    1047  
    1048 Ignored bad PDB record found on line 61844 
    1049 ATOM 1938c OWS SOL W 239 -76.923 78.021 -83.429 1.00 0.00 O 
    1050  
    1051 Ignored bad PDB record found on line 61845 
    1052 ATOM 1938e HWS SOL W 239 -77.550 77.299 -83.381 1.00 0.00 H 
    1053  
    1054 Duplicate atom serial number found: 19390 
    1055 Duplicate atom serial number found: 19392 
    1056 Duplicate atom serial number found: 19394 
    1057 Duplicate atom serial number found: 19396 
    1058 Duplicate atom serial number found: 19398 
    1059 Ignored bad PDB record found on line 61851 
    1060 ATOM 1939a HWS SOL W 241 -76.477 -60.306 -86.259 1.00 0.00 H 
    1061  
    1062 Ignored bad PDB record found on line 61852 
    1063 ATOM 1939c HWS SOL W 241 -75.806 -61.544 -86.815 1.00 0.00 H 
    1064  
    1065 Ignored bad PDB record found on line 61853 
    1066 ATOM 1939e OWS SOL W 242 -63.220 82.282 -82.346 1.00 0.00 O 
    1067  
    1068 Ignored bad PDB record found on line 61854 
    1069 ATOM 193a0 HWS SOL W 242 -63.829 83.017 -82.410 1.00 0.00 H 
    1070  
    1071 Ignored bad PDB record found on line 61855 
    1072 ATOM 193a2 HWS SOL W 242 -62.571 82.447 -83.031 1.00 0.00 H 
    1073  
    1074 46 messages similar to the above omitted 
    1075 Duplicate atom serial number found: 19400 
    1076 Duplicate atom serial number found: 19402 
    1077 Duplicate atom serial number found: 19404 
    1078 Duplicate atom serial number found: 19406 
    1079 Duplicate atom serial number found: 19408 
    1080 Ignored bad PDB record found on line 61907 
    1081 ATOM 1940a OWS SOL W 260 82.261 -78.020 -72.519 1.00 0.00 O 
    1082  
    1083 Ignored bad PDB record found on line 61908 
    1084 ATOM 1940c HWS SOL W 260 81.450 -78.474 -72.748 1.00 0.00 H 
    1085  
    1086 Ignored bad PDB record found on line 61909 
    1087 ATOM 1940e HWS SOL W 260 82.428 -77.439 -73.261 1.00 0.00 H 
    1088  
    1089 Duplicate atom serial number found: 19410 
    1090 Duplicate atom serial number found: 19412 
    1091 Duplicate atom serial number found: 19414 
    1092 Duplicate atom serial number found: 19416 
    1093 Duplicate atom serial number found: 19418 
    1094 Ignored bad PDB record found on line 61915 
    1095 ATOM 1941a HWS SOL W 262 -80.035 76.489 -83.296 1.00 0.00 H 
    1096  
    1097 Ignored bad PDB record found on line 61916 
    1098 ATOM 1941c OWS SOL W 263 -66.307 -77.028 -79.248 1.00 0.00 O 
    1099  
    1100 Ignored bad PDB record found on line 61917 
    1101 ATOM 1941e HWS SOL W 263 -65.556 -76.483 -79.481 1.00 0.00 H 
    1102  
    1103 Duplicate atom serial number found: 19420 
    1104 Duplicate atom serial number found: 19422 
    1105 Duplicate atom serial number found: 19424 
    1106 Duplicate atom serial number found: 19426 
    1107 Duplicate atom serial number found: 19428 
    1108 Ignored bad PDB record found on line 61923 
    1109 ATOM 1942a HWS SOL W 265 -46.443 79.452 -72.854 1.00 0.00 H 
    1110  
    1111 Ignored bad PDB record found on line 61924 
    1112 ATOM 1942c HWS SOL W 265 -45.283 79.780 -71.937 1.00 0.00 H 
    1113  
    1114 Ignored bad PDB record found on line 61925 
    1115 ATOM 1942e OWS SOL W 266 -57.573 -85.510 -80.955 1.00 0.00 O 
    1116  
    1117 Duplicate atom serial number found: 19430 
    1118 Duplicate atom serial number found: 19432 
    1119 Duplicate atom serial number found: 19434 
    1120 Duplicate atom serial number found: 19436 
    1121 Duplicate atom serial number found: 19438 
    1122 Ignored bad PDB record found on line 61931 
    1123 ATOM 1943a OWS SOL W 268 -80.865 -78.720 -50.788 1.00 0.00 O 
    1124  
    1125 Ignored bad PDB record found on line 61932 
    1126 ATOM 1943c HWS SOL W 268 -80.247 -78.357 -51.422 1.00 0.00 H 
    1127  
    1128 Ignored bad PDB record found on line 61933 
    1129 ATOM 1943e HWS SOL W 268 -81.541 -79.136 -51.323 1.00 0.00 H 
    1130  
    1131 Duplicate atom serial number found: 19440 
    1132 Duplicate atom serial number found: 19442 
    1133 Duplicate atom serial number found: 19444 
    1134 Duplicate atom serial number found: 19446 
    1135 Duplicate atom serial number found: 19448 
    1136 Ignored bad PDB record found on line 61939 
    1137 ATOM 1944a HWS SOL W 270 -58.693 -86.726 -60.463 1.00 0.00 H 
    1138  
    1139 Ignored bad PDB record found on line 61940 
    1140 ATOM 1944c OWS SOL W 271 -65.656 86.605 -59.343 1.00 0.00 O 
    1141  
    1142 Ignored bad PDB record found on line 61941 
    1143 ATOM 1944e HWS SOL W 271 -65.568 86.898 -60.250 1.00 0.00 H 
    1144  
    1145 Duplicate atom serial number found: 19450 
    1146 Duplicate atom serial number found: 19452 
    1147 Duplicate atom serial number found: 19454 
    1148 Duplicate atom serial number found: 19456 
    1149 Duplicate atom serial number found: 19458 
    1150 Ignored bad PDB record found on line 61947 
    1151 ATOM 1945a HWS SOL W 273 -73.783 84.710 -65.378 1.00 0.00 H 
    1152  
    1153 Ignored bad PDB record found on line 61948 
    1154 ATOM 1945c HWS SOL W 273 -73.451 84.637 -66.853 1.00 0.00 H 
    1155  
    1156 Ignored bad PDB record found on line 61949 
    1157 ATOM 1945e OWS SOL W 274 -76.408 -81.482 -33.691 1.00 0.00 O 
    1158  
    1159 Duplicate atom serial number found: 19460 
    1160 Duplicate atom serial number found: 19462 
    1161 Duplicate atom serial number found: 19464 
    1162 Duplicate atom serial number found: 19466 
    1163 Duplicate atom serial number found: 19468 
    1164 Ignored bad PDB record found on line 61955 
    1165 ATOM 1946a OWS SOL W 276 -89.025 -82.480 -75.539 1.00 0.00 O 
    1166  
    1167 Ignored bad PDB record found on line 61956 
    1168 ATOM 1946c HWS SOL W 276 -89.980 -82.545 -75.528 1.00 0.00 H 
    1169  
    1170 Ignored bad PDB record found on line 61957 
    1171 ATOM 1946e HWS SOL W 276 -88.772 -82.805 -76.403 1.00 0.00 H 
    1172  
    1173 Duplicate atom serial number found: 19470 
    1174 Duplicate atom serial number found: 19472 
    1175 Duplicate atom serial number found: 19474 
    1176 Duplicate atom serial number found: 19476 
    1177 Duplicate atom serial number found: 19478 
    1178 Ignored bad PDB record found on line 61963 
    1179 ATOM 1947a HWS SOL W 278 -73.685 -78.723 -49.219 1.00 0.00 H 
    1180  
    1181 Ignored bad PDB record found on line 61964 
    1182 ATOM 1947c OWS SOL W 279 -71.001 -89.476 -60.919 1.00 0.00 O 
    1183  
    1184 Ignored bad PDB record found on line 61965 
    1185 ATOM 1947e HWS SOL W 279 -71.938 -89.631 -60.799 1.00 0.00 H 
    1186  
    1187 Duplicate atom serial number found: 19480 
    1188 Duplicate atom serial number found: 19482 
    1189 Duplicate atom serial number found: 19484 
    1190 Duplicate atom serial number found: 19486 
    1191 Duplicate atom serial number found: 19488 
    1192 Ignored bad PDB record found on line 61971 
    1193 ATOM 1948a HWS SOL W 281 -63.966 -75.098 -80.105 1.00 0.00 H 
    1194  
    1195 Ignored bad PDB record found on line 61972 
    1196 ATOM 1948c HWS SOL W 281 -65.080 -74.401 -80.857 1.00 0.00 H 
    1197  
    1198 Ignored bad PDB record found on line 61973 
    1199 ATOM 1948e OWS SOL W 282 -68.662 -78.293 -57.342 1.00 0.00 O 
    1200  
    1201 Duplicate atom serial number found: 19490 
    1202 Duplicate atom serial number found: 19492 
    1203 Duplicate atom serial number found: 19494 
    1204 Duplicate atom serial number found: 19496 
    1205 Duplicate atom serial number found: 19498 
    1206 Ignored bad PDB record found on line 61979 
    1207 ATOM 1949a OWS SOL W 284 -78.635 80.663 -33.698 1.00 0.00 O 
    1208  
    1209 Ignored bad PDB record found on line 61980 
    1210 ATOM 1949c HWS SOL W 284 -78.397 81.388 -34.276 1.00 0.00 H 
    1211  
    1212 Ignored bad PDB record found on line 61981 
    1213 ATOM 1949e HWS SOL W 284 -78.230 79.894 -34.099 1.00 0.00 H 
    1214  
    1215 Ignored bad PDB record found on line 61982 
    1216 ATOM 194a0 OWS SOL W 285 86.551 71.137 -62.759 1.00 0.00 O 
    1217  
    1218 Ignored bad PDB record found on line 61983 
    1219 ATOM 194a2 HWS SOL W 285 86.233 71.997 -62.485 1.00 0.00 H 
    1220  
    1221 46 messages similar to the above omitted 
    1222 Duplicate atom serial number found: 19500 
    1223 Duplicate atom serial number found: 19502 
    1224 Duplicate atom serial number found: 19504 
    1225 Duplicate atom serial number found: 19506 
    1226 Duplicate atom serial number found: 19508 
    1227 Ignored bad PDB record found on line 62035 
    1228 ATOM 1950a HWS SOL W 302 -67.598 -80.043 -61.884 1.00 0.00 H 
    1229  
    1230 Ignored bad PDB record found on line 62036 
    1231 ATOM 1950c OWS SOL W 303 -58.148 -73.472 -58.348 1.00 0.00 O 
    1232  
    1233 Ignored bad PDB record found on line 62037 
    1234 ATOM 1950e HWS SOL W 303 -57.322 -73.663 -58.793 1.00 0.00 H 
    1235  
    1236 Duplicate atom serial number found: 19510 
    1237 Duplicate atom serial number found: 19512 
    1238 Duplicate atom serial number found: 19514 
    1239 Duplicate atom serial number found: 19516 
    1240 Duplicate atom serial number found: 19518 
    1241 Ignored bad PDB record found on line 62043 
    1242 ATOM 1951a HWS SOL W 305 -89.276 -83.205 -29.417 1.00 0.00 H 
    1243  
    1244 Ignored bad PDB record found on line 62044 
    1245 ATOM 1951c HWS SOL W 305 -88.413 -83.034 -30.649 1.00 0.00 H 
    1246  
    1247 Ignored bad PDB record found on line 62045 
    1248 ATOM 1951e OWS SOL W 306 -62.884 -71.895 -85.025 1.00 0.00 O 
    1249  
    1250 Duplicate atom serial number found: 19520 
    1251 Duplicate atom serial number found: 19522 
    1252 Duplicate atom serial number found: 19524 
    1253 Duplicate atom serial number found: 19526 
    1254 Duplicate atom serial number found: 19528 
    1255 Ignored bad PDB record found on line 62051 
    1256 ATOM 1952a OWS SOL W 308 83.760 -84.466 -59.780 1.00 0.00 O 
    1257  
    1258 Ignored bad PDB record found on line 62052 
    1259 ATOM 1952c HWS SOL W 308 83.617 -83.731 -59.185 1.00 0.00 H 
    1260  
    1261 Ignored bad PDB record found on line 62053 
    1262 ATOM 1952e HWS SOL W 308 84.134 -84.070 -60.567 1.00 0.00 H 
    1263  
    1264 Duplicate atom serial number found: 19530 
    1265 Duplicate atom serial number found: 19532 
    1266 Duplicate atom serial number found: 19534 
    1267 Duplicate atom serial number found: 19536 
    1268 Duplicate atom serial number found: 19538 
    1269 Ignored bad PDB record found on line 62059 
    1270 ATOM 1953a HWS SOL W 310 -76.133 84.116 -54.433 1.00 0.00 H 
    1271  
    1272 Ignored bad PDB record found on line 62060 
    1273 ATOM 1953c OWS SOL W 311 -77.082 83.570 -84.973 1.00 0.00 O 
    1274  
    1275 Ignored bad PDB record found on line 62061 
    1276 ATOM 1953e HWS SOL W 311 -76.834 83.022 -85.717 1.00 0.00 H 
    1277  
    1278 Duplicate atom serial number found: 19540 
    1279 Duplicate atom serial number found: 19542 
    1280 Duplicate atom serial number found: 19544 
    1281 Duplicate atom serial number found: 19546 
    1282 Duplicate atom serial number found: 19548 
    1283 Ignored bad PDB record found on line 62067 
    1284 ATOM 1954a HWS SOL W 313 -71.568 -83.808 -72.855 1.00 0.00 H 
    1285  
    1286 Ignored bad PDB record found on line 62068 
    1287 ATOM 1954c HWS SOL W 313 -71.617 -82.329 -73.174 1.00 0.00 H 
    1288  
    1289 Ignored bad PDB record found on line 62069 
    1290 ATOM 1954e OWS SOL W 314 -69.324 83.673 -72.653 1.00 0.00 O 
    1291  
    1292 Duplicate atom serial number found: 19550 
    1293 Duplicate atom serial number found: 19552 
    1294 Duplicate atom serial number found: 19554 
    1295 Duplicate atom serial number found: 19556 
    1296 Duplicate atom serial number found: 19558 
    1297 Ignored bad PDB record found on line 62075 
    1298 ATOM 1955a OWS SOL W 316 75.311 -79.583 -57.269 1.00 0.00 O 
    1299  
    1300 Ignored bad PDB record found on line 62076 
    1301 ATOM 1955c HWS SOL W 316 75.542 -79.469 -56.348 1.00 0.00 H 
    1302  
    1303 Ignored bad PDB record found on line 62077 
    1304 ATOM 1955e HWS SOL W 316 74.465 -80.032 -57.251 1.00 0.00 H 
    1305  
    1306 Duplicate atom serial number found: 19560 
    1307 Duplicate atom serial number found: 19562 
    1308 Duplicate atom serial number found: 19564 
    1309 Duplicate atom serial number found: 19566 
    1310 Duplicate atom serial number found: 19568 
    1311 Ignored bad PDB record found on line 62083 
    1312 ATOM 1956a HWS SOL W 318 -77.978 -80.992 -40.859 1.00 0.00 H 
    1313  
    1314 Ignored bad PDB record found on line 62084 
    1315 ATOM 1956c OWS SOL W 319 -73.569 -68.177 -77.007 1.00 0.00 O 
    1316  
    1317 Ignored bad PDB record found on line 62085 
    1318 ATOM 1956e HWS SOL W 319 -74.492 -68.288 -77.232 1.00 0.00 H 
    1319  
    1320 Duplicate atom serial number found: 19570 
    1321 Duplicate atom serial number found: 19572 
    1322 Duplicate atom serial number found: 19574 
    1323 Duplicate atom serial number found: 19576 
    1324 Duplicate atom serial number found: 19578 
    1325 Ignored bad PDB record found on line 62091 
    1326 ATOM 1957a HWS SOL W 321 -61.058 -70.974 -56.045 1.00 0.00 H 
    1327  
    1328 Ignored bad PDB record found on line 62092 
    1329 ATOM 1957c HWS SOL W 321 -62.298 -70.392 -55.402 1.00 0.00 H 
    1330  
    1331 Ignored bad PDB record found on line 62093 
    1332 ATOM 1957e OWS SOL W 322 87.709 -74.985 -65.956 1.00 0.00 O 
    1333  
    1334 Duplicate atom serial number found: 19580 
    1335 Duplicate atom serial number found: 19582 
    1336 Duplicate atom serial number found: 19584 
    1337 Duplicate atom serial number found: 19586 
    1338 Duplicate atom serial number found: 19588 
    1339 Ignored bad PDB record found on line 62099 
    1340 ATOM 1958a OWS SOL W 324 -73.311 -80.635 -67.129 1.00 0.00 O 
    1341  
    1342 Ignored bad PDB record found on line 62100 
    1343 ATOM 1958c HWS SOL W 324 -72.686 -80.993 -67.760 1.00 0.00 H 
    1344  
    1345 Ignored bad PDB record found on line 62101 
    1346 ATOM 1958e HWS SOL W 324 -73.067 -81.037 -66.295 1.00 0.00 H 
    1347  
    1348 Duplicate atom serial number found: 19590 
    1349 Duplicate atom serial number found: 19592 
    1350 Duplicate atom serial number found: 19594 
    1351 Duplicate atom serial number found: 19596 
    1352 Duplicate atom serial number found: 19598 
    1353 Ignored bad PDB record found on line 62107 
    1354 ATOM 1959a HWS SOL W 326 -69.193 -84.546 -60.547 1.00 0.00 H 
    1355  
    1356 Ignored bad PDB record found on line 62108 
    1357 ATOM 1959c OWS SOL W 327 -70.811 -87.549 -48.104 1.00 0.00 O 
    1358  
    1359 Ignored bad PDB record found on line 62109 
    1360 ATOM 1959e HWS SOL W 327 -70.891 -86.783 -47.535 1.00 0.00 H 
    1361  
    1362 Ignored bad PDB record found on line 62110 
    1363 ATOM 195a0 HWS SOL W 327 -70.313 -87.235 -48.859 1.00 0.00 H 
    1364  
    1365 Ignored bad PDB record found on line 62111 
    1366 ATOM 195a2 OWS SOL W 328 -81.997 -77.187 -71.454 1.00 0.00 O 
    1367  
    1368 46 messages similar to the above omitted 
    1369 Duplicate atom serial number found: 19600 
    1370 Duplicate atom serial number found: 19602 
    1371 Duplicate atom serial number found: 19604 
    1372 Duplicate atom serial number found: 19606 
    1373 Duplicate atom serial number found: 19608 
    1374 Ignored bad PDB record found on line 62163 
    1375 ATOM 1960a HWS SOL W 345 -89.032 -66.719 -67.978 1.00 0.00 H 
    1376  
    1377 Ignored bad PDB record found on line 62164 
    1378 ATOM 1960c HWS SOL W 345 -87.829 -67.636 -67.945 1.00 0.00 H 
    1379  
    1380 Ignored bad PDB record found on line 62165 
    1381 ATOM 1960e OWS SOL W 346 -74.497 -87.269 -67.585 1.00 0.00 O 
    1382  
    1383 Duplicate atom serial number found: 19610 
    1384 Duplicate atom serial number found: 19612 
    1385 Duplicate atom serial number found: 19614 
    1386 Duplicate atom serial number found: 19616 
    1387 Duplicate atom serial number found: 19618 
    1388 Ignored bad PDB record found on line 62171 
    1389 ATOM 1961a OWS SOL W 348 -77.008 -78.907 -50.796 1.00 0.00 O 
    1390  
    1391 Ignored bad PDB record found on line 62172 
    1392 ATOM 1961c HWS SOL W 348 -77.739 -78.443 -50.388 1.00 0.00 H 
    1393  
    1394 Ignored bad PDB record found on line 62173 
    1395 ATOM 1961e HWS SOL W 348 -77.412 -79.665 -51.219 1.00 0.00 H 
    1396  
    1397 Duplicate atom serial number found: 19620 
    1398 Duplicate atom serial number found: 19622 
    1399 Duplicate atom serial number found: 19624 
    1400 Duplicate atom serial number found: 19626 
    1401 Duplicate atom serial number found: 19628 
    1402 Ignored bad PDB record found on line 62179 
    1403 ATOM 1962a HWS SOL W 350 -74.422 -72.778 -48.912 1.00 0.00 H 
    1404  
    1405 Ignored bad PDB record found on line 62180 
    1406 ATOM 1962c OWS SOL W 351 -66.315 -63.424 -47.009 1.00 0.00 O 
    1407  
    1408 Ignored bad PDB record found on line 62181 
    1409 ATOM 1962e HWS SOL W 351 -66.331 -62.635 -47.550 1.00 0.00 H 
    1410  
    1411 Duplicate atom serial number found: 19630 
    1412 Duplicate atom serial number found: 19632 
    1413 Duplicate atom serial number found: 19634 
    1414 Duplicate atom serial number found: 19636 
    1415 Duplicate atom serial number found: 19638 
    1416 Ignored bad PDB record found on line 62187 
    1417 ATOM 1963a HWS SOL W 353 -78.785 -86.535 -63.827 1.00 0.00 H 
    1418  
    1419 Ignored bad PDB record found on line 62188 
    1420 ATOM 1963c HWS SOL W 353 -79.892 -87.294 -63.126 1.00 0.00 H 
    1421  
    1422 Ignored bad PDB record found on line 62189 
    1423 ATOM 1963e OWS SOL W 354 -77.358 87.008 -76.313 1.00 0.00 O 
    1424  
    1425 Duplicate atom serial number found: 19640 
    1426 Duplicate atom serial number found: 19642 
    1427 Duplicate atom serial number found: 19644 
    1428 Duplicate atom serial number found: 19646 
    1429 Duplicate atom serial number found: 19648 
    1430 Ignored bad PDB record found on line 62195 
    1431 ATOM 1964a OWS SOL W 356 -80.552 -81.667 -33.802 1.00 0.00 O 
    1432  
    1433 Ignored bad PDB record found on line 62196 
    1434 ATOM 1964c HWS SOL W 356 -79.758 -82.163 -33.603 1.00 0.00 H 
    1435  
    1436 Ignored bad PDB record found on line 62197 
    1437 ATOM 1964e HWS SOL W 356 -80.814 -81.972 -34.671 1.00 0.00 H 
    1438  
    1439 Duplicate atom serial number found: 19650 
    1440 Duplicate atom serial number found: 19652 
    1441 Duplicate atom serial number found: 19654 
    1442 Duplicate atom serial number found: 19656 
    1443 Duplicate atom serial number found: 19658 
    1444 Ignored bad PDB record found on line 62203 
    1445 ATOM 1965a HWS SOL W 358 -81.742 85.012 -68.578 1.00 0.00 H 
    1446  
    1447 Ignored bad PDB record found on line 62204 
    1448 ATOM 1965c OWS SOL W 359 88.653 -64.091 -70.818 1.00 0.00 O 
    1449  
    1450 Ignored bad PDB record found on line 62205 
    1451 ATOM 1965e HWS SOL W 359 88.986 -64.769 -71.406 1.00 0.00 H 
    1452  
    1453 Duplicate atom serial number found: 19660 
    1454 Duplicate atom serial number found: 19662 
    1455 Duplicate atom serial number found: 19664 
    1456 Duplicate atom serial number found: 19666 
    1457 Duplicate atom serial number found: 19668 
    1458 Ignored bad PDB record found on line 62211 
    1459 ATOM 1966a HWS SOL W 361 -56.643 66.715 -65.332 1.00 0.00 H 
    1460  
    1461 Ignored bad PDB record found on line 62212 
    1462 ATOM 1966c HWS SOL W 361 -55.331 67.471 -65.333 1.00 0.00 H 
    1463  
    1464 Ignored bad PDB record found on line 62213 
    1465 ATOM 1966e OWS SOL W 362 -84.972 -70.656 -52.609 1.00 0.00 O 
    1466  
    1467 Duplicate atom serial number found: 19670 
    1468 Duplicate atom serial number found: 19672 
    1469 Duplicate atom serial number found: 19674 
    1470 Duplicate atom serial number found: 19676 
    1471 Duplicate atom serial number found: 19678 
    1472 Ignored bad PDB record found on line 62219 
    1473 ATOM 1967a OWS SOL W 364 -68.771 86.303 -71.861 1.00 0.00 O 
    1474  
    1475 Ignored bad PDB record found on line 62220 
    1476 ATOM 1967c HWS SOL W 364 -68.774 85.368 -72.064 1.00 0.00 H 
    1477  
    1478 Ignored bad PDB record found on line 62221 
    1479 ATOM 1967e HWS SOL W 364 -67.876 86.484 -71.577 1.00 0.00 H 
    1480  
    1481 Duplicate atom serial number found: 19680 
    1482 Duplicate atom serial number found: 19682 
    1483 Duplicate atom serial number found: 19684 
    1484 Duplicate atom serial number found: 19686 
    1485 Duplicate atom serial number found: 19688 
    1486 Ignored bad PDB record found on line 62227 
    1487 ATOM 1968a HWS SOL W 366 -58.151 -62.914 -60.987 1.00 0.00 H 
    1488  
    1489 Ignored bad PDB record found on line 62228 
    1490 ATOM 1968c OWS SOL W 367 -75.767 -85.879 -74.943 1.00 0.00 O 
    1491  
    1492 Ignored bad PDB record found on line 62229 
    1493 ATOM 1968e HWS SOL W 367 -76.002 -86.100 -74.041 1.00 0.00 H 
    1494  
    1495 Duplicate atom serial number found: 19690 
    1496 Duplicate atom serial number found: 19692 
    1497 Duplicate atom serial number found: 19694 
    1498 Duplicate atom serial number found: 19696 
    1499 Duplicate atom serial number found: 19698 
    1500 Ignored bad PDB record found on line 62235 
    1501 ATOM 1969a HWS SOL W 369 -86.328 -87.330 -77.292 1.00 0.00 H 
    1502  
    1503 Ignored bad PDB record found on line 62236 
    1504 ATOM 1969c HWS SOL W 369 -85.584 -87.281 -78.610 1.00 0.00 H 
    1505  
    1506 Ignored bad PDB record found on line 62237 
    1507 ATOM 1969e OWS SOL W 370 85.299 -78.997 -67.325 1.00 0.00 O 
    1508  
    1509 Ignored bad PDB record found on line 62238 
    1510 ATOM 196a0 HWS SOL W 370 85.225 -78.623 -68.204 1.00 0.00 H 
    1511  
    1512 Ignored bad PDB record found on line 62239 
    1513 ATOM 196a2 HWS SOL W 370 85.798 -79.804 -67.449 1.00 0.00 H 
    1514  
    1515 46 messages similar to the above omitted 
    1516 Duplicate atom serial number found: 19700 
    1517 Duplicate atom serial number found: 19702 
    1518 Duplicate atom serial number found: 19704 
    1519 Duplicate atom serial number found: 19706 
    1520 Duplicate atom serial number found: 19708 
    1521 Ignored bad PDB record found on line 62291 
    1522 ATOM 1970a OWS SOL W 388 -80.261 85.371 -45.540 1.00 0.00 O 
    1523  
    1524 Ignored bad PDB record found on line 62292 
    1525 ATOM 1970c HWS SOL W 388 -81.126 85.738 -45.357 1.00 0.00 H 
    1526  
    1527 Ignored bad PDB record found on line 62293 
    1528 ATOM 1970e HWS SOL W 388 -80.006 85.764 -46.375 1.00 0.00 H 
    1529  
    1530 Duplicate atom serial number found: 19710 
    1531 Duplicate atom serial number found: 19712 
    1532 Duplicate atom serial number found: 19714 
    1533 Duplicate atom serial number found: 19716 
    1534 Duplicate atom serial number found: 19718 
    1535 Ignored bad PDB record found on line 62299 
    1536 ATOM 1971a HWS SOL W 390 77.561 -69.617 -68.384 1.00 0.00 H 
    1537  
    1538 Ignored bad PDB record found on line 62300 
    1539 ATOM 1971c OWS SOL W 391 -78.058 -69.846 -66.816 1.00 0.00 O 
    1540  
    1541 Ignored bad PDB record found on line 62301 
    1542 ATOM 1971e HWS SOL W 391 -78.043 -68.889 -66.796 1.00 0.00 H 
    1543  
    1544 Duplicate atom serial number found: 19720 
    1545 Duplicate atom serial number found: 19722 
    1546 Duplicate atom serial number found: 19724 
    1547 Duplicate atom serial number found: 19726 
    1548 Duplicate atom serial number found: 19728 
    1549 Ignored bad PDB record found on line 62307 
    1550 ATOM 1972a HWS SOL W 393 -82.566 79.882 -71.305 1.00 0.00 H 
    1551  
    1552 Ignored bad PDB record found on line 62308 
    1553 ATOM 1972c HWS SOL W 393 -82.144 81.100 -70.511 1.00 0.00 H 
    1554  
    1555 Ignored bad PDB record found on line 62309 
    1556 ATOM 1972e OWS SOL W 394 -78.793 -72.534 -51.549 1.00 0.00 O 
    1557  
    1558 Duplicate atom serial number found: 19730 
    1559 Duplicate atom serial number found: 19732 
    1560 Duplicate atom serial number found: 19734 
    1561 Duplicate atom serial number found: 19736 
    1562 Duplicate atom serial number found: 19738 
    1563 Ignored bad PDB record found on line 62315 
    1564 ATOM 1973a OWS SOL W 396 -63.137 87.618 -53.692 1.00 0.00 O 
    1565  
    1566 Ignored bad PDB record found on line 62316 
    1567 ATOM 1973c HWS SOL W 396 -64.090 87.547 -53.731 1.00 0.00 H 
    1568  
    1569 Ignored bad PDB record found on line 62317 
    1570 ATOM 1973e HWS SOL W 396 -62.836 86.726 -53.523 1.00 0.00 H 
    1571  
    1572 Duplicate atom serial number found: 19740 
    1573 Duplicate atom serial number found: 19742 
    1574 Duplicate atom serial number found: 19744 
    1575 Duplicate atom serial number found: 19746 
    1576 Duplicate atom serial number found: 19748 
    1577 Ignored bad PDB record found on line 62323 
    1578 ATOM 1974a HWS SOL W 398 -74.530 78.443 -50.565 1.00 0.00 H 
    1579  
    1580 Ignored bad PDB record found on line 62324 
    1581 ATOM 1974c OWS SOL W 399 -68.634 -69.071 -58.791 1.00 0.00 O 
    1582  
    1583 Ignored bad PDB record found on line 62325 
    1584 ATOM 1974e HWS SOL W 399 -68.435 -69.569 -57.998 1.00 0.00 H 
    1585  
    1586 Duplicate atom serial number found: 19750 
    1587 Duplicate atom serial number found: 19752 
    1588 Duplicate atom serial number found: 19754 
    1589 Duplicate atom serial number found: 19756 
    1590 Duplicate atom serial number found: 19758 
    1591 Ignored bad PDB record found on line 62331 
    1592 ATOM 1975a HWS SOL W 401 -87.561 -52.393 -80.614 1.00 0.00 H 
    1593  
    1594 Ignored bad PDB record found on line 62332 
    1595 ATOM 1975c HWS SOL W 401 -86.668 -53.596 -80.396 1.00 0.00 H 
    1596  
    1597 Ignored bad PDB record found on line 62333 
    1598 ATOM 1975e OWS SOL W 402 -78.186 -84.253 -41.991 1.00 0.00 O 
    1599  
    1600 Duplicate atom serial number found: 19760 
    1601 Duplicate atom serial number found: 19762 
    1602 Duplicate atom serial number found: 19764 
    1603 Duplicate atom serial number found: 19766 
    1604 Duplicate atom serial number found: 19768 
    1605 Ignored bad PDB record found on line 62339 
    1606 ATOM 1976a OWS SOL W 404 74.755 -71.526 -51.224 1.00 0.00 O 
    1607  
    1608 Ignored bad PDB record found on line 62340 
    1609 ATOM 1976c HWS SOL W 404 74.440 -71.115 -50.419 1.00 0.00 H 
    1610  
    1611 Ignored bad PDB record found on line 62341 
    1612 ATOM 1976e HWS SOL W 404 74.340 -71.027 -51.927 1.00 0.00 H 
    1613  
    1614 Duplicate atom serial number found: 19770 
    1615 Duplicate atom serial number found: 19772 
    1616 Duplicate atom serial number found: 19774 
    1617 Duplicate atom serial number found: 19776 
    1618 Duplicate atom serial number found: 19778 
    1619 Ignored bad PDB record found on line 62347 
    1620 ATOM 1977a HWS SOL W 406 -57.766 -84.813 -51.364 1.00 0.00 H 
    1621  
    1622 Ignored bad PDB record found on line 62348 
    1623 ATOM 1977c OWS SOL W 407 -85.291 -77.652 -51.168 1.00 0.00 O 
    1624  
    1625 Ignored bad PDB record found on line 62349 
    1626 ATOM 1977e HWS SOL W 407 -86.177 -77.792 -51.504 1.00 0.00 H 
    1627  
    1628 Duplicate atom serial number found: 19780 
    1629 Duplicate atom serial number found: 19782 
    1630 Duplicate atom serial number found: 19784 
    1631 Duplicate atom serial number found: 19786 
    1632 Duplicate atom serial number found: 19788 
    1633 Ignored bad PDB record found on line 62355 
    1634 ATOM 1978a HWS SOL W 409 -86.674 -78.404 -70.921 1.00 0.00 H 
    1635  
    1636 Ignored bad PDB record found on line 62356 
    1637 ATOM 1978c HWS SOL W 409 -85.626 -78.682 -71.977 1.00 0.00 H 
    1638  
    1639 Ignored bad PDB record found on line 62357 
    1640 ATOM 1978e OWS SOL W 410 -79.969 -84.812 -50.492 1.00 0.00 O 
    1641  
    1642 Duplicate atom serial number found: 19790 
    1643 Duplicate atom serial number found: 19792 
    1644 Duplicate atom serial number found: 19794 
    1645 Duplicate atom serial number found: 19796 
    1646 Duplicate atom serial number found: 19798 
    1647 Ignored bad PDB record found on line 62363 
    1648 ATOM 1979a OWS SOL W 412 -68.778 78.607 -88.306 1.00 0.00 O 
    1649  
    1650 Ignored bad PDB record found on line 62364 
    1651 ATOM 1979c HWS SOL W 412 -68.141 77.938 -88.557 1.00 0.00 H 
    1652  
    1653 Ignored bad PDB record found on line 62365 
    1654 ATOM 1979e HWS SOL W 412 -68.335 79.119 -87.629 1.00 0.00 H 
    1655  
    1656 Ignored bad PDB record found on line 62366 
    1657 ATOM 197a0 OWS SOL W 413 -70.385 82.633 -65.305 1.00 0.00 O 
    1658  
    1659 Ignored bad PDB record found on line 62367 
    1660 ATOM 197a2 HWS SOL W 413 -69.916 82.124 -64.644 1.00 0.00 H 
    1661  
    1662 46 messages similar to the above omitted 
    1663 Duplicate atom serial number found: 19800 
    1664 Duplicate atom serial number found: 19802 
    1665 Duplicate atom serial number found: 19804 
    1666 Duplicate atom serial number found: 19806 
    1667 Duplicate atom serial number found: 19808 
    1668 Ignored bad PDB record found on line 62419 
    1669 ATOM 1980a HWS SOL W 430 -66.348 75.982 -45.066 1.00 0.00 H 
    1670  
    1671 Ignored bad PDB record found on line 62420 
    1672 ATOM 1980c OWS SOL W 431 -82.725 85.732 -54.055 1.00 0.00 O 
    1673  
    1674 Ignored bad PDB record found on line 62421 
    1675 ATOM 1980e HWS SOL W 431 -82.474 85.486 -54.945 1.00 0.00 H 
    1676  
    1677 Duplicate atom serial number found: 19810 
    1678 Duplicate atom serial number found: 19812 
    1679 Duplicate atom serial number found: 19814 
    1680 Duplicate atom serial number found: 19816 
    1681 Duplicate atom serial number found: 19818 
    1682 Ignored bad PDB record found on line 62427 
    1683 ATOM 1981a HWS SOL W 433 -78.829 -74.717 -49.188 1.00 0.00 H 
    1684  
    1685 Ignored bad PDB record found on line 62428 
    1686 ATOM 1981c HWS SOL W 433 -80.137 -75.298 -49.681 1.00 0.00 H 
    1687  
    1688 Ignored bad PDB record found on line 62429 
    1689 ATOM 1981e OWS SOL W 434 -87.854 -71.944 -49.819 1.00 0.00 O 
    1690  
    1691 Duplicate atom serial number found: 19820 
    1692 Duplicate atom serial number found: 19822 
    1693 Duplicate atom serial number found: 19824 
    1694 Duplicate atom serial number found: 19826 
    1695 Duplicate atom serial number found: 19828 
    1696 Ignored bad PDB record found on line 62435 
    1697 ATOM 1982a OWS SOL W 436 -88.611 -84.249 -65.961 1.00 0.00 O 
    1698  
    1699 Ignored bad PDB record found on line 62436 
    1700 ATOM 1982c HWS SOL W 436 -89.342 -84.863 -65.883 1.00 0.00 H 
    1701  
    1702 Ignored bad PDB record found on line 62437 
    1703 ATOM 1982e HWS SOL W 436 -88.997 -83.393 -65.778 1.00 0.00 H 
    1704  
    1705 Duplicate atom serial number found: 19830 
    1706 Duplicate atom serial number found: 19832 
    1707 Duplicate atom serial number found: 19834 
    1708 Duplicate atom serial number found: 19836 
    1709 Duplicate atom serial number found: 19838 
    1710 Ignored bad PDB record found on line 62443 
    1711 ATOM 1983a HWS SOL W 438 -71.203 -62.500 -43.171 1.00 0.00 H 
    1712  
    1713 Ignored bad PDB record found on line 62444 
    1714 ATOM 1983c OWS SOL W 439 -85.164 -71.704 -68.162 1.00 0.00 O 
    1715  
    1716 Ignored bad PDB record found on line 62445 
    1717 ATOM 1983e HWS SOL W 439 -85.645 -71.222 -67.489 1.00 0.00 H 
    1718  
    1719 Duplicate atom serial number found: 19840 
    1720 Duplicate atom serial number found: 19842 
    1721 Duplicate atom serial number found: 19844 
    1722 Duplicate atom serial number found: 19846 
    1723 Duplicate atom serial number found: 19848 
    1724 Ignored bad PDB record found on line 62451 
    1725 ATOM 1984a HWS SOL W 441 -86.859 -84.689 -68.451 1.00 0.00 H 
    1726  
    1727 Ignored bad PDB record found on line 62452 
    1728 ATOM 1984c HWS SOL W 441 -87.682 -83.841 -67.505 1.00 0.00 H 
    1729  
    1730 Ignored bad PDB record found on line 62453 
    1731 ATOM 1984e OWS SOL W 442 -84.627 82.691 -25.881 1.00 0.00 O 
    1732  
    1733 Duplicate atom serial number found: 19850 
    1734 Duplicate atom serial number found: 19852 
    1735 Duplicate atom serial number found: 19854 
    1736 Duplicate atom serial number found: 19856 
    1737 Duplicate atom serial number found: 19858 
    1738 Ignored bad PDB record found on line 62459 
    1739 ATOM 1985a OWS SOL W 444 -75.304 -74.986 -46.432 1.00 0.00 O 
    1740  
    1741 Ignored bad PDB record found on line 62460 
    1742 ATOM 1985c HWS SOL W 444 -76.241 -74.809 -46.522 1.00 0.00 H 
    1743  
    1744 Ignored bad PDB record found on line 62461 
    1745 ATOM 1985e HWS SOL W 444 -74.906 -74.571 -47.197 1.00 0.00 H 
    1746  
    1747 Duplicate atom serial number found: 19860 
    1748 Duplicate atom serial number found: 19862 
    1749 Duplicate atom serial number found: 19864 
    1750 Duplicate atom serial number found: 19866 
    1751 Duplicate atom serial number found: 19868 
    1752 Ignored bad PDB record found on line 62467 
    1753 ATOM 1986a HWS SOL W 446 -87.485 -82.047 -68.664 1.00 0.00 H 
    1754  
    1755 Ignored bad PDB record found on line 62468 
    1756 ATOM 1986c OWS SOL W 447 -86.048 79.850 -70.666 1.00 0.00 O 
    1757  
    1758 Ignored bad PDB record found on line 62469 
    1759 ATOM 1986e HWS SOL W 447 -85.476 80.174 -69.970 1.00 0.00 H 
    1760  
    1761 Duplicate atom serial number found: 19870 
    1762 Duplicate atom serial number found: 19872 
    1763 Duplicate atom serial number found: 19874 
    1764 Duplicate atom serial number found: 19876 
    1765 Duplicate atom serial number found: 19878 
    1766 Ignored bad PDB record found on line 62475 
    1767 ATOM 1987a HWS SOL W 449 -63.623 -80.759 -55.413 1.00 0.00 H 
    1768  
    1769 Ignored bad PDB record found on line 62476 
    1770 ATOM 1987c HWS SOL W 449 -63.245 -81.489 -54.142 1.00 0.00 H 
    1771  
    1772 Ignored bad PDB record found on line 62477 
    1773 ATOM 1987e OWS SOL W 450 -61.750 89.513 -46.616 1.00 0.00 O 
    1774  
    1775 Duplicate atom serial number found: 19880 
    1776 Duplicate atom serial number found: 19882 
    1777 Duplicate atom serial number found: 19884 
    1778 Duplicate atom serial number found: 19886 
    1779 Duplicate atom serial number found: 19888 
    1780 Ignored bad PDB record found on line 62483 
    1781 ATOM 1988a OWS SOL W 452 -86.574 75.542 -53.433 1.00 0.00 O 
    1782  
    1783 Ignored bad PDB record found on line 62484 
    1784 ATOM 1988c HWS SOL W 452 -85.759 75.333 -53.889 1.00 0.00 H 
    1785  
    1786 Ignored bad PDB record found on line 62485 
    1787 ATOM 1988e HWS SOL W 452 -86.294 75.998 -52.639 1.00 0.00 H 
    1788  
    1789 Duplicate atom serial number found: 19890 
    1790 Duplicate atom serial number found: 19892 
    1791 Duplicate atom serial number found: 19894 
    1792 Duplicate atom serial number found: 19896 
    1793 Duplicate atom serial number found: 19898 
    1794 Ignored bad PDB record found on line 62491 
    1795 ATOM 1989a HWS SOL W 454 -82.336 85.545 -61.612 1.00 0.00 H 
    1796  
    1797 Ignored bad PDB record found on line 62492 
    1798 ATOM 1989c OWS SOL W 455 -73.756 -68.518 -58.380 1.00 0.00 O 
    1799  
    1800 Ignored bad PDB record found on line 62493 
    1801 ATOM 1989e HWS SOL W 455 -73.111 -69.163 -58.668 1.00 0.00 H 
    1802  
    1803 Ignored bad PDB record found on line 62494 
    1804 ATOM 198a0 HWS SOL W 455 -74.357 -69.012 -57.822 1.00 0.00 H 
    1805  
    1806 Ignored bad PDB record found on line 62495 
    1807 ATOM 198a2 OWS SOL W 456 -78.669 89.722 -50.505 1.00 0.00 O 
    1808  
    1809 46 messages similar to the above omitted 
    1810 Duplicate atom serial number found: 19900 
    1811 Duplicate atom serial number found: 19902 
    1812 Duplicate atom serial number found: 19904 
    1813 Duplicate atom serial number found: 19906 
    1814 Duplicate atom serial number found: 19908 
    1815 Ignored bad PDB record found on line 62547 
    1816 ATOM 1990a HWS SOL W 473 -79.655 -76.944 -37.110 1.00 0.00 H 
    1817  
    1818 Ignored bad PDB record found on line 62548 
    1819 ATOM 1990c HWS SOL W 473 -80.269 -76.681 -35.752 1.00 0.00 H 
    1820  
    1821 Ignored bad PDB record found on line 62549 
    1822 ATOM 1990e OWS SOL W 474 -84.006 -76.647 -65.561 1.00 0.00 O 
    1823  
    1824 Duplicate atom serial number found: 19910 
    1825 Duplicate atom serial number found: 19912 
    1826 Duplicate atom serial number found: 19914 
    1827 Duplicate atom serial number found: 19916 
    1828 Duplicate atom serial number found: 19918 
    1829 Ignored bad PDB record found on line 62555 
    1830 ATOM 1991a OWS SOL W 476 -70.850 -79.928 -55.894 1.00 0.00 O 
    1831  
    1832 Ignored bad PDB record found on line 62556 
    1833 ATOM 1991c HWS SOL W 476 -69.902 -79.861 -55.785 1.00 0.00 H 
    1834  
    1835 Ignored bad PDB record found on line 62557 
    1836 ATOM 1991e HWS SOL W 476 -71.205 -79.746 -55.024 1.00 0.00 H 
    1837  
    1838 Duplicate atom serial number found: 19920 
    1839 Duplicate atom serial number found: 19922 
    1840 Duplicate atom serial number found: 19924 
    1841 Duplicate atom serial number found: 19926 
    1842 Duplicate atom serial number found: 19928 
    1843 Ignored bad PDB record found on line 62563 
    1844 ATOM 1992a HWS SOL W 478 -62.614 -83.183 -69.420 1.00 0.00 H 
    1845  
    1846 Ignored bad PDB record found on line 62564 
    1847 ATOM 1992c OWS SOL W 479 -73.314 82.669 -58.391 1.00 0.00 O 
    1848  
    1849 Ignored bad PDB record found on line 62565 
    1850 ATOM 1992e HWS SOL W 479 -73.894 82.015 -58.780 1.00 0.00 H 
    1851  
    1852 Duplicate atom serial number found: 19930 
    1853 Duplicate atom serial number found: 19932 
    1854 Duplicate atom serial number found: 19934 
    1855 Duplicate atom serial number found: 19936 
    1856 Duplicate atom serial number found: 19938 
    1857 Ignored bad PDB record found on line 62571 
    1858 ATOM 1993a HWS SOL W 481 -69.467 -81.291 -35.366 1.00 0.00 H 
    1859  
    1860 Ignored bad PDB record found on line 62572 
    1861 ATOM 1993c HWS SOL W 481 -70.360 -80.938 -34.195 1.00 0.00 H 
    1862  
    1863 Ignored bad PDB record found on line 62573 
    1864 ATOM 1993e OWS SOL W 482 -68.293 -70.916 -37.911 1.00 0.00 O 
    1865  
    1866 Duplicate atom serial number found: 19940 
    1867 Duplicate atom serial number found: 19942 
    1868 Duplicate atom serial number found: 19944 
    1869 Duplicate atom serial number found: 19946 
    1870 Duplicate atom serial number found: 19948 
    1871 Ignored bad PDB record found on line 62579 
    1872 ATOM 1994a OWS SOL W 484 -72.634 -68.034 -63.044 1.00 0.00 O 
    1873  
    1874 Ignored bad PDB record found on line 62580 
    1875 ATOM 1994c HWS SOL W 484 -73.571 -67.847 -63.005 1.00 0.00 H 
    1876  
    1877 Ignored bad PDB record found on line 62581 
    1878 ATOM 1994e HWS SOL W 484 -72.434 -68.438 -62.199 1.00 0.00 H 
    1879  
    1880 Duplicate atom serial number found: 19950 
    1881 Duplicate atom serial number found: 19952 
    1882 Duplicate atom serial number found: 19954 
    1883 Duplicate atom serial number found: 19956 
    1884 Duplicate atom serial number found: 19958 
    1885 Ignored bad PDB record found on line 62587 
    1886 ATOM 1995a HWS SOL W 486 81.447 -80.445 -53.212 1.00 0.00 H 
    1887  
    1888 Ignored bad PDB record found on line 62588 
    1889 ATOM 1995c OWS SOL W 487 -87.444 -79.471 -41.525 1.00 0.00 O 
    1890  
    1891 Ignored bad PDB record found on line 62589 
    1892 ATOM 1995e HWS SOL W 487 -87.293 -78.736 -40.932 1.00 0.00 H 
    1893  
    1894 Duplicate atom serial number found: 19960 
    1895 Duplicate atom serial number found: 19962 
    1896 Duplicate atom serial number found: 19964 
    1897 Duplicate atom serial number found: 19966 
    1898 Duplicate atom serial number found: 19968 
    1899 Ignored bad PDB record found on line 62595 
    1900 ATOM 1996a HWS SOL W 489 -80.982 -85.810 -64.804 1.00 0.00 H 
    1901  
    1902 Ignored bad PDB record found on line 62596 
    1903 ATOM 1996c HWS SOL W 489 -82.241 -86.649 -64.856 1.00 0.00 H 
    1904  
    1905 Ignored bad PDB record found on line 62597 
    1906 ATOM 1996e OWS SOL W 490 -71.447 -67.022 -68.413 1.00 0.00 O 
    1907  
    1908 Duplicate atom serial number found: 19970 
    1909 Duplicate atom serial number found: 19972 
    1910 Duplicate atom serial number found: 19974 
    1911 Duplicate atom serial number found: 19976 
    1912 Duplicate atom serial number found: 19978 
    1913 Ignored bad PDB record found on line 62603 
    1914 ATOM 1997a OWS SOL W 492 -58.959 -86.781 -70.615 1.00 0.00 O 
    1915  
    1916 Ignored bad PDB record found on line 62604 
    1917 ATOM 1997c HWS SOL W 492 -59.773 -87.273 -70.716 1.00 0.00 H 
    1918  
    1919 Ignored bad PDB record found on line 62605 
    1920 ATOM 1997e HWS SOL W 492 -59.103 -85.974 -71.108 1.00 0.00 H 
    1921  
    1922 Duplicate atom serial number found: 19980 
    1923 Duplicate atom serial number found: 19982 
    1924 Duplicate atom serial number found: 19984 
    1925 Duplicate atom serial number found: 19986 
    1926 Duplicate atom serial number found: 19988 
    1927 Ignored bad PDB record found on line 62611 
    1928 ATOM 1998a HWS SOL W 494 86.255 -68.664 -51.655 1.00 0.00 H 
    1929  
    1930 Ignored bad PDB record found on line 62612 
    1931 ATOM 1998c OWS SOL W 495 -83.645 77.702 -54.034 1.00 0.00 O 
    1932  
    1933 Ignored bad PDB record found on line 62613 
    1934 ATOM 1998e HWS SOL W 495 -84.268 77.823 -54.750 1.00 0.00 H 
    1935  
    1936 Duplicate atom serial number found: 19990 
    1937 Duplicate atom serial number found: 19992 
    1938 Duplicate atom serial number found: 19994 
    1939 Duplicate atom serial number found: 19996 
    1940 Duplicate atom serial number found: 19998 
    1941 Ignored bad PDB record found on line 62619 
    1942 ATOM 1999a HWS SOL W 497 -70.599 -78.645 -52.548 1.00 0.00 H 
    1943  
    1944 Ignored bad PDB record found on line 62620 
    1945 ATOM 1999c HWS SOL W 497 -69.360 -78.131 -53.251 1.00 0.00 H 
    1946  
    1947 Ignored bad PDB record found on line 62621 
    1948 ATOM 1999e OWS SOL W 498 -77.027 -76.019 -51.041 1.00 0.00 O 
    1949  
    1950 Ignored bad PDB record found on line 62622 
    1951 ATOM 199a0 HWS SOL W 498 -76.954 -76.908 -50.693 1.00 0.00 H 
    1952  
    1953 Ignored bad PDB record found on line 62623 
    1954 ATOM 199a2 HWS SOL W 498 -77.896 -75.725 -50.768 1.00 0.00 H 
    1955  
    1956 13102 messages similar to the above omitted 
    1957 Duplicate atom serial number found: 20000 
    1958 Duplicate atom serial number found: 20002 
    1959 Duplicate atom serial number found: 20004 
    1960 Duplicate atom serial number found: 20006 
    1961 Duplicate atom serial number found: 20008 
    1962 Ignored bad PDB record found on line 75731 
    1963 ATOM 2000a OWS SOL W4895 -73.124 -53.072 49.498 1.00 0.00 O 
    1964  
    1965 Ignored bad PDB record found on line 75732 
    1966 ATOM 2000c HWS SOL W4895 -73.017 -53.976 49.792 1.00 0.00 H 
    1967  
    1968 Ignored bad PDB record found on line 75733 
    1969 ATOM 2000e HWS SOL W4895 -73.852 -53.105 48.877 1.00 0.00 H 
    1970  
    1971 Duplicate atom serial number found: 20010 
    1972 Duplicate atom serial number found: 20012 
    1973 Duplicate atom serial number found: 20014 
    1974 Duplicate atom serial number found: 20016 
    1975 Duplicate atom serial number found: 20018 
    1976 Ignored bad PDB record found on line 75739 
    1977 ATOM 2001a HWS SOL W4897 -73.331 -50.069 -87.361 1.00 0.00 H 
    1978  
    1979 Ignored bad PDB record found on line 75740 
    1980 ATOM 2001c OWS SOL W4898 -81.133 -58.354 50.967 1.00 0.00 O 
    1981  
    1982 Ignored bad PDB record found on line 75741 
    1983 ATOM 2001e HWS SOL W4898 -81.787 -59.014 51.197 1.00 0.00 H 
    1984  
    1985 Duplicate atom serial number found: 20020 
    1986 Duplicate atom serial number found: 20022 
    1987 Duplicate atom serial number found: 20024 
    1988 Duplicate atom serial number found: 20026 
    1989 Duplicate atom serial number found: 20028 
    1990 Ignored bad PDB record found on line 75747 
    1991 ATOM 2002a HWS SOL W4900 -88.269 -52.711 60.672 1.00 0.00 H 
    1992  
    1993 Ignored bad PDB record found on line 75748 
    1994 ATOM 2002c HWS SOL W4900 -87.676 -53.841 61.487 1.00 0.00 H 
    1995  
    1996 Ignored bad PDB record found on line 75749 
    1997 ATOM 2002e OWS SOL W4901 86.403 -58.102 52.059 1.00 0.00 O 
    1998  
    1999 Duplicate atom serial number found: 20030 
    2000 Duplicate atom serial number found: 20032 
    2001 Duplicate atom serial number found: 20034 
    2002 Duplicate atom serial number found: 20036 
    2003 Duplicate atom serial number found: 20038 
    2004 Ignored bad PDB record found on line 75755 
    2005 ATOM 2003a OWS SOL W4903 -86.122 -51.373 -85.631 1.00 0.00 O 
    2006  
    2007 Ignored bad PDB record found on line 75756 
    2008 ATOM 2003c HWS SOL W4903 -86.125 -50.505 -85.229 1.00 0.00 H 
    2009  
    2010 Ignored bad PDB record found on line 75757 
    2011 ATOM 2003e HWS SOL W4903 -86.831 -51.342 -86.273 1.00 0.00 H 
    2012  
    2013 Duplicate atom serial number found: 20040 
    2014 Duplicate atom serial number found: 20042 
    2015 Duplicate atom serial number found: 20044 
    2016 Duplicate atom serial number found: 20046 
    2017 Duplicate atom serial number found: 20048 
    2018 Ignored bad PDB record found on line 75763 
    2019 ATOM 2004a HWS SOL W4905 68.169 -52.023 70.743 1.00 0.00 H 
    2020  
    2021 Ignored bad PDB record found on line 75764 
    2022 ATOM 2004c OWS SOL W4906 -86.051 -58.428 60.487 1.00 0.00 O 
    2023  
    2024 Ignored bad PDB record found on line 75765 
    2025 ATOM 2004e HWS SOL W4906 -86.164 -58.308 61.430 1.00 0.00 H 
    2026  
    2027 Duplicate atom serial number found: 20050 
    2028 Duplicate atom serial number found: 20052 
    2029 Duplicate atom serial number found: 20054 
    2030 Duplicate atom serial number found: 20056 
    2031 Duplicate atom serial number found: 20058 
    2032 Ignored bad PDB record found on line 75771 
    2033 ATOM 2005a HWS SOL W4908 66.840 -47.931 63.450 1.00 0.00 H 
    2034  
    2035 Ignored bad PDB record found on line 75772 
    2036 ATOM 2005c HWS SOL W4908 67.287 -46.976 62.364 1.00 0.00 H 
    2037  
    2038 Ignored bad PDB record found on line 75773 
    2039 ATOM 2005e OWS SOL W4909 77.119 -55.499 52.048 1.00 0.00 O 
    2040  
    2041 Duplicate atom serial number found: 20060 
    2042 Duplicate atom serial number found: 20062 
    2043 Duplicate atom serial number found: 20064 
    2044 Duplicate atom serial number found: 20066 
    2045 Duplicate atom serial number found: 20068 
    2046 Ignored bad PDB record found on line 75779 
    2047 ATOM 2006a OWS SOL W4911 75.962 -72.808 45.037 1.00 0.00 O 
    2048  
    2049 Ignored bad PDB record found on line 75780 
    2050 ATOM 2006c HWS SOL W4911 76.547 -73.565 45.075 1.00 0.00 H 
    2051  
    2052 Ignored bad PDB record found on line 75781 
    2053 ATOM 2006e HWS SOL W4911 75.174 -73.091 45.501 1.00 0.00 H 
    2054  
    2055 Duplicate atom serial number found: 20070 
    2056 Duplicate atom serial number found: 20072 
    2057 Duplicate atom serial number found: 20074 
    2058 Duplicate atom serial number found: 20076 
    2059 Duplicate atom serial number found: 20078 
    2060 Ignored bad PDB record found on line 75787 
    2061 ATOM 2007a HWS SOL W4913 -63.828 -58.582 69.940 1.00 0.00 H 
    2062  
    2063 Ignored bad PDB record found on line 75788 
    2064 ATOM 2007c OWS SOL W4914 -80.839 -73.358 72.119 1.00 0.00 O 
    2065  
    2066 Ignored bad PDB record found on line 75789 
    2067 ATOM 2007e HWS SOL W4914 -81.183 -72.465 72.112 1.00 0.00 H 
    2068  
    2069 Duplicate atom serial number found: 20080 
    2070 Duplicate atom serial number found: 20082 
    2071 Duplicate atom serial number found: 20084 
    2072 Duplicate atom serial number found: 20086 
    2073 Duplicate atom serial number found: 20088 
    2074 Ignored bad PDB record found on line 75795 
    2075 ATOM 2008a HWS SOL W4916 -84.811 -50.041 52.914 1.00 0.00 H 
    2076  
    2077 Ignored bad PDB record found on line 75796 
    2078 ATOM 2008c HWS SOL W4916 -84.086 -48.829 52.366 1.00 0.00 H 
    2079  
    2080 Ignored bad PDB record found on line 75797 
    2081 ATOM 2008e OWS SOL W4917 -73.190 -76.910 60.899 1.00 0.00 O 
    2082  
    2083 Duplicate atom serial number found: 20090 
    2084 Duplicate atom serial number found: 20092 
    2085 Duplicate atom serial number found: 20094 
    2086 Duplicate atom serial number found: 20096 
    2087 Duplicate atom serial number found: 20098 
    2088 Ignored bad PDB record found on line 75803 
    2089 ATOM 2009a OWS SOL W4919 -70.233 -61.833 50.957 1.00 0.00 O 
    2090  
    2091 Ignored bad PDB record found on line 75804 
    2092 ATOM 2009c HWS SOL W4919 -70.234 -61.436 51.828 1.00 0.00 H 
    2093  
    2094 Ignored bad PDB record found on line 75805 
    2095 ATOM 2009e HWS SOL W4919 -69.396 -62.294 50.904 1.00 0.00 H 
    2096  
    2097 Ignored bad PDB record found on line 75806 
    2098 ATOM 200a0 OWS SOL W4920 -88.620 -57.054 42.530 1.00 0.00 O 
    2099  
    2100 Ignored bad PDB record found on line 75807 
    2101 ATOM 200a2 HWS SOL W4920 -89.013 -56.206 42.736 1.00 0.00 H 
    2102  
    2103 46 messages similar to the above omitted 
    2104 Duplicate atom serial number found: 20100 
    2105 Duplicate atom serial number found: 20102 
    2106 Duplicate atom serial number found: 20104 
    2107 Duplicate atom serial number found: 20106 
    2108 Duplicate atom serial number found: 20108 
    2109 Ignored bad PDB record found on line 75859 
    2110 ATOM 2010a HWS SOL W4937 -83.603 -64.506 57.018 1.00 0.00 H 
    2111  
    2112 Ignored bad PDB record found on line 75860 
    2113 ATOM 2010c OWS SOL W4938 89.660 -75.456 37.977 1.00 0.00 O 
    2114  
    2115 Ignored bad PDB record found on line 75861 
    2116 ATOM 2010e HWS SOL W4938 90.311 -74.856 38.342 1.00 0.00 H 
    2117  
    2118 Duplicate atom serial number found: 20110 
    2119 Duplicate atom serial number found: 20112 
    2120 Duplicate atom serial number found: 20114 
    2121 Duplicate atom serial number found: 20116 
    2122 Duplicate atom serial number found: 20118 
    2123 Ignored bad PDB record found on line 75867 
    2124 ATOM 2011a HWS SOL W4940 59.695 -66.516 41.183 1.00 0.00 H 
    2125  
    2126 Ignored bad PDB record found on line 75868 
    2127 ATOM 2011c HWS SOL W4940 60.582 -67.256 40.204 1.00 0.00 H 
    2128  
    2129 Ignored bad PDB record found on line 75869 
    2130 ATOM 2011e OWS SOL W4941 -60.794 -61.425 62.724 1.00 0.00 O 
    2131  
    2132 Duplicate atom serial number found: 20120 
    2133 Duplicate atom serial number found: 20122 
    2134 Duplicate atom serial number found: 20124 
    2135 Duplicate atom serial number found: 20126 
    2136 Duplicate atom serial number found: 20128 
    2137 Ignored bad PDB record found on line 75875 
    2138 ATOM 2012a OWS SOL W4943 -88.503 -36.875 62.743 1.00 0.00 O 
    2139  
    2140 Ignored bad PDB record found on line 75876 
    2141 ATOM 2012c HWS SOL W4943 -87.876 -36.561 62.092 1.00 0.00 H 
    2142  
    2143 Ignored bad PDB record found on line 75877 
    2144 ATOM 2012e HWS SOL W4943 -89.352 -36.823 62.304 1.00 0.00 H 
    2145  
    2146 Duplicate atom serial number found: 20130 
    2147 Duplicate atom serial number found: 20132 
    2148 Duplicate atom serial number found: 20134 
    2149 Duplicate atom serial number found: 20136 
    2150 Duplicate atom serial number found: 20138 
    2151 Ignored bad PDB record found on line 75883 
    2152 ATOM 2013a HWS SOL W4945 -69.049 -57.955 65.732 1.00 0.00 H 
    2153  
    2154 Ignored bad PDB record found on line 75884 
    2155 ATOM 2013c OWS SOL W4946 -65.644 -83.404 66.372 1.00 0.00 O 
    2156  
    2157 Ignored bad PDB record found on line 75885 
    2158 ATOM 2013e HWS SOL W4946 -64.966 -83.232 65.719 1.00 0.00 H 
    2159  
    2160 Duplicate atom serial number found: 20140 
    2161 Duplicate atom serial number found: 20142 
    2162 Duplicate atom serial number found: 20144 
    2163 Duplicate atom serial number found: 20146 
    2164 Duplicate atom serial number found: 20148 
    2165 Ignored bad PDB record found on line 75891 
    2166 ATOM 2014a HWS SOL W4948 87.424 -55.298 53.551 1.00 0.00 H 
    2167  
    2168 Ignored bad PDB record found on line 75892 
    2169 ATOM 2014c HWS SOL W4948 88.667 -56.122 53.812 1.00 0.00 H 
    2170  
    2171 Ignored bad PDB record found on line 75893 
    2172 ATOM 2014e OWS SOL W4949 -77.756 -50.449 34.558 1.00 0.00 O 
    2173  
    2174 Duplicate atom serial number found: 20150 
    2175 Duplicate atom serial number found: 20152 
    2176 Duplicate atom serial number found: 20154 
    2177 Duplicate atom serial number found: 20156 
    2178 Duplicate atom serial number found: 20158 
    2179 Ignored bad PDB record found on line 75899 
    2180 ATOM 2015a OWS SOL W4951 -89.376 -74.200 84.437 1.00 0.00 O 
    2181  
    2182 Ignored bad PDB record found on line 75900 
    2183 ATOM 2015c HWS SOL W4951 -89.930 -74.771 84.969 1.00 0.00 H 
    2184  
    2185 Ignored bad PDB record found on line 75901 
    2186 ATOM 2015e HWS SOL W4951 -89.520 -74.496 83.538 1.00 0.00 H 
    2187  
    2188 Duplicate atom serial number found: 20160 
    2189 Duplicate atom serial number found: 20162 
    2190 Duplicate atom serial number found: 20164 
    2191 Duplicate atom serial number found: 20166 
    2192 Duplicate atom serial number found: 20168 
    2193 Ignored bad PDB record found on line 75907 
    2194 ATOM 2016a HWS SOL W4953 -61.946 -61.405 27.956 1.00 0.00 H 
    2195  
    2196 Ignored bad PDB record found on line 75908 
    2197 ATOM 2016c OWS SOL W4954 87.100 -58.710 56.619 1.00 0.00 O 
    2198  
    2199 Ignored bad PDB record found on line 75909 
    2200 ATOM 2016e HWS SOL W4954 86.491 -58.773 55.883 1.00 0.00 H 
    2201  
    2202 Duplicate atom serial number found: 20170 
    2203 Duplicate atom serial number found: 20172 
    2204 Duplicate atom serial number found: 20174 
    2205 Duplicate atom serial number found: 20176 
    2206 Duplicate atom serial number found: 20178 
    2207 Ignored bad PDB record found on line 75915 
    2208 ATOM 2017a HWS SOL W4956 -69.926 -88.277 40.197 1.00 0.00 H 
    2209  
    2210 Ignored bad PDB record found on line 75916 
    2211 ATOM 2017c HWS SOL W4956 -71.244 -87.636 39.821 1.00 0.00 H 
    2212  
    2213 Ignored bad PDB record found on line 75917 
    2214 ATOM 2017e OWS SOL W4957 -77.272 -30.608 41.527 1.00 0.00 O 
    2215  
    2216 Duplicate atom serial number found: 20180 
    2217 Duplicate atom serial number found: 20182 
    2218 Duplicate atom serial number found: 20184 
    2219 Duplicate atom serial number found: 20186 
    2220 Duplicate atom serial number found: 20188 
    2221 Ignored bad PDB record found on line 75923 
    2222 ATOM 2018a OWS SOL W4959 -77.035 -40.896 30.526 1.00 0.00 O 
    2223  
    2224 Ignored bad PDB record found on line 75924 
    2225 ATOM 2018c HWS SOL W4959 -77.722 -40.339 30.160 1.00 0.00 H 
    2226  
    2227 Ignored bad PDB record found on line 75925 
    2228 ATOM 2018e HWS SOL W4959 -77.493 -41.689 30.806 1.00 0.00 H 
    2229  
    2230 Duplicate atom serial number found: 20190 
    2231 Duplicate atom serial number found: 20192 
    2232 Duplicate atom serial number found: 20194 
    2233 Duplicate atom serial number found: 20196 
    2234 Duplicate atom serial number found: 20198 
    2235 Ignored bad PDB record found on line 75931 
    2236 ATOM 2019a HWS SOL W4961 -83.005 -71.500 34.096 1.00 0.00 H 
    2237  
    2238 Ignored bad PDB record found on line 75932 
    2239 ATOM 2019c OWS SOL W4962 -75.258 -51.486 42.577 1.00 0.00 O 
    2240  
    2241 Ignored bad PDB record found on line 75933 
    2242 ATOM 2019e HWS SOL W4962 -74.420 -51.057 42.403 1.00 0.00 H 
    2243  
    2244 Ignored bad PDB record found on line 75934 
    2245 ATOM 201a0 HWS SOL W4962 -75.020 -52.334 42.951 1.00 0.00 H 
    2246  
    2247 Ignored bad PDB record found on line 75935 
    2248 ATOM 201a2 OWS SOL W4963 -80.162 -70.379 43.915 1.00 0.00 O 
    2249  
    2250 46 messages similar to the above omitted 
    2251 Duplicate atom serial number found: 20200 
    2252 Duplicate atom serial number found: 20202 
    2253 Duplicate atom serial number found: 20204 
    2254 Duplicate atom serial number found: 20206 
    2255 Duplicate atom serial number found: 20208 
    2256 Ignored bad PDB record found on line 75987 
    2257 ATOM 2020a HWS SOL W4980 -82.902 -63.337 63.045 1.00 0.00 H 
    2258  
    2259 Ignored bad PDB record found on line 75988 
    2260 ATOM 2020c HWS SOL W4980 -81.570 -63.596 63.718 1.00 0.00 H 
    2261  
    2262 Ignored bad PDB record found on line 75989 
    2263 ATOM 2020e OWS SOL W4981 -49.396 -50.893 45.919 1.00 0.00 O 
    2264  
    2265 Duplicate atom serial number found: 20210 
    2266 Duplicate atom serial number found: 20212 
    2267 Duplicate atom serial number found: 20214 
    2268 Duplicate atom serial number found: 20216 
    2269 Duplicate atom serial number found: 20218 
    2270 Ignored bad PDB record found on line 75995 
    2271 ATOM 2021a OWS SOL W4983 -63.852 -68.406 35.092 1.00 0.00 O 
    2272  
    2273 Ignored bad PDB record found on line 75996 
    2274 ATOM 2021c HWS SOL W4983 -63.691 -67.711 35.731 1.00 0.00 H 
    2275  
    2276 Ignored bad PDB record found on line 75997 
    2277 ATOM 2021e HWS SOL W4983 -64.645 -68.840 35.405 1.00 0.00 H 
    2278  
    2279 Duplicate atom serial number found: 20220 
    2280 Duplicate atom serial number found: 20222 
    2281 Duplicate atom serial number found: 20224 
    2282 Duplicate atom serial number found: 20226 
    2283 Duplicate atom serial number found: 20228 
    2284 Ignored bad PDB record found on line 76003 
    2285 ATOM 2022a HWS SOL W4985 -81.626 -80.749 46.817 1.00 0.00 H 
    2286  
    2287 Ignored bad PDB record found on line 76004 
    2288 ATOM 2022c OWS SOL W4986 76.704 -52.582 52.341 1.00 0.00 O 
    2289  
    2290 Ignored bad PDB record found on line 76005 
    2291 ATOM 2022e HWS SOL W4986 76.113 -52.483 53.088 1.00 0.00 H 
    2292  
    2293 Duplicate atom serial number found: 20230 
    2294 Duplicate atom serial number found: 20232 
    2295 Duplicate atom serial number found: 20234 
    2296 Duplicate atom serial number found: 20236 
    2297 Duplicate atom serial number found: 20238 
    2298 Ignored bad PDB record found on line 76011 
    2299 ATOM 2023a HWS SOL W4988 -80.870 -69.392 51.891 1.00 0.00 H 
    2300  
    2301 Ignored bad PDB record found on line 76012 
    2302 ATOM 2023c HWS SOL W4988 -80.362 -70.342 50.827 1.00 0.00 H 
    2303  
    2304 Ignored bad PDB record found on line 76013 
    2305 ATOM 2023e OWS SOL W4989 -69.643 -58.661 35.134 1.00 0.00 O 
    2306  
    2307 Duplicate atom serial number found: 20240 
    2308 Duplicate atom serial number found: 20242 
    2309 Duplicate atom serial number found: 20244 
    2310 Duplicate atom serial number found: 20246 
    2311 Duplicate atom serial number found: 20248 
    2312 Ignored bad PDB record found on line 76019 
    2313 ATOM 2024a OWS SOL W4991 -77.383 -42.482 62.227 1.00 0.00 O 
    2314  
    2315 Ignored bad PDB record found on line 76020 
    2316 ATOM 2024c HWS SOL W4991 -76.873 -42.023 61.560 1.00 0.00 H 
    2317  
    2318 Ignored bad PDB record found on line 76021 
    2319 ATOM 2024e HWS SOL W4991 -76.794 -42.543 62.979 1.00 0.00 H 
    2320  
    2321 Duplicate atom serial number found: 20250 
    2322 Duplicate atom serial number found: 20252 
    2323 Duplicate atom serial number found: 20254 
    2324 Duplicate atom serial number found: 20256 
    2325 Duplicate atom serial number found: 20258 
    2326 Ignored bad PDB record found on line 76027 
    2327 ATOM 2025a HWS SOL W4993 -66.267 -51.020 34.323 1.00 0.00 H 
    2328  
    2329 Ignored bad PDB record found on line 76028 
    2330 ATOM 2025c OWS SOL W4994 -83.795 -61.486 38.693 1.00 0.00 O 
    2331  
    2332 Ignored bad PDB record found on line 76029 
    2333 ATOM 2025e HWS SOL W4994 -83.950 -61.985 39.495 1.00 0.00 H 
    2334  
    2335 Duplicate atom serial number found: 20260 
    2336 Duplicate atom serial number found: 20262 
    2337 Duplicate atom serial number found: 20264 
    2338 Duplicate atom serial number found: 20266 
    2339 Duplicate atom serial number found: 20268 
    2340 Ignored bad PDB record found on line 76035 
    2341 ATOM 2026a HWS SOL W4996 -90.183 -34.382 21.373 1.00 0.00 H 
    2342  
    2343 Ignored bad PDB record found on line 76036 
    2344 ATOM 2026c HWS SOL W4996 -89.197 -33.273 21.670 1.00 0.00 H 
    2345  
    2346 Ignored bad PDB record found on line 76037 
    2347 ATOM 2026e OWS SOL W4997 -87.138 -76.304 55.204 1.00 0.00 O 
    2348  
    2349 Duplicate atom serial number found: 20270 
    2350 Duplicate atom serial number found: 20272 
    2351 Duplicate atom serial number found: 20274 
    2352 Duplicate atom serial number found: 20276 
    2353 Duplicate atom serial number found: 20278 
    2354 Ignored bad PDB record found on line 76043 
    2355 ATOM 2027a OWS SOL W4999 81.862 -56.233 50.258 1.00 0.00 O 
    2356  
    2357 Ignored bad PDB record found on line 76044 
    2358 ATOM 2027c HWS SOL W4999 82.291 -55.721 50.944 1.00 0.00 H 
    2359  
    2360 Ignored bad PDB record found on line 76045 
    2361 ATOM 2027e HWS SOL W4999 82.429 -56.994 50.137 1.00 0.00 H 
    2362  
    2363 Duplicate atom serial number found: 20280 
    2364 Duplicate atom serial number found: 20282 
    2365 Duplicate atom serial number found: 20284 
    2366 Duplicate atom serial number found: 20286 
    2367 Duplicate atom serial number found: 20288 
    2368 Ignored bad PDB record found on line 76051 
    2369 ATOM 2028a HWS SOL W5001 -81.280 -52.018 39.576 1.00 0.00 H 
    2370  
    2371 Ignored bad PDB record found on line 76052 
    2372 ATOM 2028c OWS SOL W5002 88.238 -47.247 75.321 1.00 0.00 O 
    2373  
    2374 Ignored bad PDB record found on line 76053 
    2375 ATOM 2028e HWS SOL W5002 88.913 -46.836 75.861 1.00 0.00 H 
    2376  
    2377 Duplicate atom serial number found: 20290 
    2378 Duplicate atom serial number found: 20292 
    2379 Duplicate atom serial number found: 20294 
    2380 Duplicate atom serial number found: 20296 
    2381 Duplicate atom serial number found: 20298 
    2382 Ignored bad PDB record found on line 76059 
    2383 ATOM 2029a HWS SOL W5004 -75.708 -59.361 39.176 1.00 0.00 H 
    2384  
    2385 Ignored bad PDB record found on line 76060 
    2386 ATOM 2029c HWS SOL W5004 -76.608 -59.251 37.964 1.00 0.00 H 
    2387  
    2388 Ignored bad PDB record found on line 76061 
    2389 ATOM 2029e OWS SOL W5005 -85.524 -47.767 47.745 1.00 0.00 O 
    2390  
    2391 Ignored bad PDB record found on line 76062 
    2392 ATOM 202a0 HWS SOL W5005 -84.870 -47.990 48.408 1.00 0.00 H 
    2393  
    2394 Ignored bad PDB record found on line 76063 
    2395 ATOM 202a2 HWS SOL W5005 -85.242 -48.237 46.961 1.00 0.00 H 
    2396  
    2397 46 messages similar to the above omitted 
    2398 Duplicate atom serial number found: 20300 
    2399 Duplicate atom serial number found: 20302 
    2400 Duplicate atom serial number found: 20304 
    2401 Duplicate atom serial number found: 20306 
    2402 Duplicate atom serial number found: 20308 
    2403 Ignored bad PDB record found on line 76115 
    2404 ATOM 2030a OWS SOL W5024 -77.081 -76.983 44.120 1.00 0.00 O 
    2405  
    2406 Ignored bad PDB record found on line 76116 
    2407 ATOM 2030c HWS SOL W5024 -77.793 -76.362 44.272 1.00 0.00 H 
    2408  
    2409 Ignored bad PDB record found on line 76117 
    2410 ATOM 2030e HWS SOL W5024 -77.141 -77.193 43.188 1.00 0.00 H 
    2411  
    2412 Duplicate atom serial number found: 20310 
    2413 Duplicate atom serial number found: 20312 
    2414 Duplicate atom serial number found: 20314 
    2415 Duplicate atom serial number found: 20316 
    2416 Duplicate atom serial number found: 20318 
    2417 Ignored bad PDB record found on line 76123 
    2418 ATOM 2031a HWS SOL W5026 -71.616 -55.962 45.239 1.00 0.00 H 
    2419  
    2420 Ignored bad PDB record found on line 76124 
    2421 ATOM 2031c OWS SOL W5027 -84.636 -64.206 48.487 1.00 0.00 O 
    2422  
    2423 Ignored bad PDB record found on line 76125 
    2424 ATOM 2031e HWS SOL W5027 -85.480 -64.063 48.059 1.00 0.00 H 
    2425  
    2426 Duplicate atom serial number found: 20320 
    2427 Duplicate atom serial number found: 20322 
    2428 Duplicate atom serial number found: 20324 
    2429 Duplicate atom serial number found: 20326 
    2430 Duplicate atom serial number found: 20328 
    2431 Ignored bad PDB record found on line 76131 
    2432 ATOM 2032a HWS SOL W5029 -68.161 -44.966 37.127 1.00 0.00 H 
    2433  
    2434 Ignored bad PDB record found on line 76132 
    2435 ATOM 2032c HWS SOL W5029 -68.051 -44.206 35.822 1.00 0.00 H 
    2436  
    2437 Ignored bad PDB record found on line 76133 
    2438 ATOM 2032e OWS SOL W5030 -73.781 -66.148 47.372 1.00 0.00 O 
    2439  
    2440 Duplicate atom serial number found: 20330 
    2441 Duplicate atom serial number found: 20332 
    2442 Duplicate atom serial number found: 20334 
    2443 Duplicate atom serial number found: 20336 
    2444 Duplicate atom serial number found: 20338 
    2445 Ignored bad PDB record found on line 76139 
    2446 ATOM 2033a OWS SOL W5032 -78.598 -79.573 65.410 1.00 0.00 O 
    2447  
    2448 Ignored bad PDB record found on line 76140 
    2449 ATOM 2033c HWS SOL W5032 -79.527 -79.424 65.587 1.00 0.00 H 
    2450  
    2451 Ignored bad PDB record found on line 76141 
    2452 ATOM 2033e HWS SOL W5032 -78.504 -80.526 65.410 1.00 0.00 H 
    2453  
    2454 Duplicate atom serial number found: 20340 
    2455 Duplicate atom serial number found: 20342 
    2456 Duplicate atom serial number found: 20344 
    2457 Duplicate atom serial number found: 20346 
    2458 Duplicate atom serial number found: 20348 
    2459 Ignored bad PDB record found on line 76147 
    2460 ATOM 2034a HWS SOL W5034 -71.395 -57.810 41.284 1.00 0.00 H 
    2461  
    2462 Ignored bad PDB record found on line 76148 
    2463 ATOM 2034c OWS SOL W5035 -78.828 -33.937 49.173 1.00 0.00 O 
    2464  
    2465 Ignored bad PDB record found on line 76149 
    2466 ATOM 2034e HWS SOL W5035 -78.967 -34.586 48.483 1.00 0.00 H 
    2467  
    2468 Duplicate atom serial number found: 20350 
    2469 Duplicate atom serial number found: 20352 
    2470 Duplicate atom serial number found: 20354 
    2471 Duplicate atom serial number found: 20356 
    2472 Duplicate atom serial number found: 20358 
    2473 Ignored bad PDB record found on line 76155 
    2474 ATOM 2035a HWS SOL W5037 -77.367 -53.661 46.103 1.00 0.00 H 
    2475  
    2476 Ignored bad PDB record found on line 76156 
    2477 ATOM 2035c HWS SOL W5037 -77.596 -52.169 46.218 1.00 0.00 H 
    2478  
    2479 Ignored bad PDB record found on line 76157 
    2480 ATOM 2035e OWS SOL W5038 87.198 -61.262 57.800 1.00 0.00 O 
    2481  
    2482 Duplicate atom serial number found: 20360 
    2483 Duplicate atom serial number found: 20362 
    2484 Duplicate atom serial number found: 20364 
    2485 Duplicate atom serial number found: 20366 
    2486 Duplicate atom serial number found: 20368 
    2487 Ignored bad PDB record found on line 76163 
    2488 ATOM 2036a OWS SOL W5040 -63.291 -63.729 76.425 1.00 0.00 O 
    2489  
    2490 Ignored bad PDB record found on line 76164 
    2491 ATOM 2036c HWS SOL W5040 -63.995 -63.184 76.074 1.00 0.00 H 
    2492  
    2493 Ignored bad PDB record found on line 76165 
    2494 ATOM 2036e HWS SOL W5040 -62.646 -63.105 76.756 1.00 0.00 H 
    2495  
    2496 Duplicate atom serial number found: 20370 
    2497 Duplicate atom serial number found: 20372 
    2498 Duplicate atom serial number found: 20374 
    2499 Duplicate atom serial number found: 20376 
    2500 Duplicate atom serial number found: 20378 
    2501 Ignored bad PDB record found on line 76171 
    2502 ATOM 2037a HWS SOL W5042 89.487 -81.161 54.113 1.00 0.00 H 
    2503  
    2504 Ignored bad PDB record found on line 76172 
    2505 ATOM 2037c OWS SOL W5043 -76.002 -40.074 48.463 1.00 0.00 O 
    2506  
    2507 Ignored bad PDB record found on line 76173 
    2508 ATOM 2037e HWS SOL W5043 -75.797 -40.978 48.704 1.00 0.00 H 
    2509  
    2510 Duplicate atom serial number found: 20380 
    2511 Duplicate atom serial number found: 20382 
    2512 Duplicate atom serial number found: 20384 
    2513 Duplicate atom serial number found: 20386 
    2514 Duplicate atom serial number found: 20388 
    2515 Ignored bad PDB record found on line 76179 
    2516 ATOM 2038a HWS SOL W5045 -68.331 -48.394 58.938 1.00 0.00 H 
    2517  
    2518 Ignored bad PDB record found on line 76180 
    2519 ATOM 2038c HWS SOL W5045 -68.554 -47.400 57.819 1.00 0.00 H 
    2520  
    2521 Ignored bad PDB record found on line 76181 
    2522 ATOM 2038e OWS SOL W5046 -81.500 -71.912 54.760 1.00 0.00 O 
    2523  
    2524 Duplicate atom serial number found: 20390 
    2525 Duplicate atom serial number found: 20392 
    2526 Duplicate atom serial number found: 20394 
    2527 Duplicate atom serial number found: 20396 
    2528 Duplicate atom serial number found: 20398 
    2529 Ignored bad PDB record found on line 76187 
    2530 ATOM 2039a OWS SOL W5048 -86.093 -50.186 59.243 1.00 0.00 O 
    2531  
    2532 Ignored bad PDB record found on line 76188 
    2533 ATOM 2039c HWS SOL W5048 -86.487 -50.287 60.110 1.00 0.00 H 
    2534  
    2535 Ignored bad PDB record found on line 76189 
    2536 ATOM 2039e HWS SOL W5048 -86.378 -49.321 58.950 1.00 0.00 H 
    2537  
    2538 Ignored bad PDB record found on line 76190 
    2539 ATOM 203a0 OWS SOL W5049 -77.437 -52.554 40.892 1.00 0.00 O 
    2540  
    2541 Ignored bad PDB record found on line 76191 
    2542 ATOM 203a2 HWS SOL W5049 -76.965 -52.023 41.533 1.00 0.00 H 
    2543  
    2544 46 messages similar to the above omitted 
    2545 Duplicate atom serial number found: 20400 
    2546 Duplicate atom serial number found: 20402 
    2547 Duplicate atom serial number found: 20404 
    2548 Duplicate atom serial number found: 20406 
    2549 Duplicate atom serial number found: 20408 
    2550 Ignored bad PDB record found on line 76243 
    2551 ATOM 2040a HWS SOL W5067 -77.401 -61.113 42.742 1.00 0.00 H 
    2552  
    2553 Ignored bad PDB record found on line 76244 
    2554 ATOM 2040c OWS SOL W5068 -78.750 -31.950 69.312 1.00 0.00 O 
    2555  
    2556 Ignored bad PDB record found on line 76245 
    2557 ATOM 2040e HWS SOL W5068 -77.868 -31.580 69.345 1.00 0.00 H 
    2558  
    2559 Duplicate atom serial number found: 20410 
    2560 Duplicate atom serial number found: 20412 
    2561 Duplicate atom serial number found: 20414 
    2562 Duplicate atom serial number found: 20416 
    2563 Duplicate atom serial number found: 20418 
    2564 Ignored bad PDB record found on line 76251 
    2565 ATOM 2041a HWS SOL W5070 -63.572 -52.914 52.924 1.00 0.00 H 
    2566  
    2567 Ignored bad PDB record found on line 76252 
    2568 ATOM 2041c HWS SOL W5070 -64.240 -54.238 53.227 1.00 0.00 H 
    2569  
    2570 Ignored bad PDB record found on line 76253 
    2571 ATOM 2041e OWS SOL W5071 84.318 -67.722 50.633 1.00 0.00 O 
    2572  
    2573 Duplicate atom serial number found: 20420 
    2574 Duplicate atom serial number found: 20422 
    2575 Duplicate atom serial number found: 20424 
    2576 Duplicate atom serial number found: 20426 
    2577 Duplicate atom serial number found: 20428 
    2578 Ignored bad PDB record found on line 76259 
    2579 ATOM 2042a OWS SOL W5073 87.220 -85.287 49.787 1.00 0.00 O 
    2580  
    2581 Ignored bad PDB record found on line 76260 
    2582 ATOM 2042c HWS SOL W5073 86.309 -85.504 49.984 1.00 0.00 H 
    2583  
    2584 Ignored bad PDB record found on line 76261 
    2585 ATOM 2042e HWS SOL W5073 87.289 -84.350 49.968 1.00 0.00 H 
    2586  
    2587 Duplicate atom serial number found: 20430 
    2588 Duplicate atom serial number found: 20432 
    2589 Duplicate atom serial number found: 20434 
    2590 Duplicate atom serial number found: 20436 
    2591 Duplicate atom serial number found: 20438 
    2592 Ignored bad PDB record found on line 76267 
    2593 ATOM 2043a HWS SOL W5075 -75.950 -76.530 49.072 1.00 0.00 H 
    2594  
    2595 Ignored bad PDB record found on line 76268 
    2596 ATOM 2043c OWS SOL W5076 -63.565 -58.226 56.433 1.00 0.00 O 
    2597  
    2598 Ignored bad PDB record found on line 76269 
    2599 ATOM 2043e HWS SOL W5076 -63.054 -58.475 55.663 1.00 0.00 H 
    2600  
    2601 Duplicate atom serial number found: 20440 
    2602 Duplicate atom serial number found: 20442 
    2603 Duplicate atom serial number found: 20444 
    2604 Duplicate atom serial number found: 20446 
    2605 Duplicate atom serial number found: 20448 
    2606 Ignored bad PDB record found on line 76275 
    2607 ATOM 2044a HWS SOL W5078 -63.704 -71.137 35.096 1.00 0.00 H 
    2608  
    2609 Ignored bad PDB record found on line 76276 
    2610 ATOM 2044c HWS SOL W5078 -64.077 -72.017 36.270 1.00 0.00 H 
    2611  
    2612 Ignored bad PDB record found on line 76277 
    2613 ATOM 2044e OWS SOL W5079 -78.120 -64.625 58.973 1.00 0.00 O 
    2614  
    2615 Duplicate atom serial number found: 20450 
    2616 Duplicate atom serial number found: 20452 
    2617 Duplicate atom serial number found: 20454 
    2618 Duplicate atom serial number found: 20456 
    2619 Duplicate atom serial number found: 20458 
    2620 Ignored bad PDB record found on line 76283 
    2621 ATOM 2045a OWS SOL W5081 -71.194 -57.419 76.488 1.00 0.00 O 
    2622  
    2623 Ignored bad PDB record found on line 76284 
    2624 ATOM 2045c HWS SOL W5081 -70.765 -58.261 76.638 1.00 0.00 H 
    2625  
    2626 Ignored bad PDB record found on line 76285 
    2627 ATOM 2045e HWS SOL W5081 -70.474 -56.793 76.412 1.00 0.00 H 
    2628  
    2629 Duplicate atom serial number found: 20460 
    2630 Duplicate atom serial number found: 20462 
    2631 Duplicate atom serial number found: 20464 
    2632 Duplicate atom serial number found: 20466 
    2633 Duplicate atom serial number found: 20468 
    2634 Ignored bad PDB record found on line 76291 
    2635 ATOM 2046a HWS SOL W5083 69.090 -70.569 26.150 1.00 0.00 H 
    2636  
    2637 Ignored bad PDB record found on line 76292 
    2638 ATOM 2046c OWS SOL W5084 83.026 -55.300 52.708 1.00 0.00 O 
    2639  
    2640 Ignored bad PDB record found on line 76293 
    2641 ATOM 2046e HWS SOL W5084 83.971 -55.239 52.853 1.00 0.00 H 
    2642  
    2643 Duplicate atom serial number found: 20470 
    2644 Duplicate atom serial number found: 20472 
    2645 Duplicate atom serial number found: 20474 
    2646 Duplicate atom serial number found: 20476 
    2647 Duplicate atom serial number found: 20478 
    2648 Ignored bad PDB record found on line 76299 
    2649 ATOM 2047a HWS SOL W5086 -71.349 -75.018 46.059 1.00 0.00 H 
    2650  
    2651 Ignored bad PDB record found on line 76300 
    2652 ATOM 2047c HWS SOL W5086 -70.060 -75.240 46.822 1.00 0.00 H 
    2653  
    2654 Ignored bad PDB record found on line 76301 
    2655 ATOM 2047e OWS SOL W5087 86.844 -62.323 67.373 1.00 0.00 O 
    2656  
    2657 Duplicate atom serial number found: 20480 
    2658 Duplicate atom serial number found: 20482 
    2659 Duplicate atom serial number found: 20484 
    2660 Duplicate atom serial number found: 20486 
    2661 Duplicate atom serial number found: 20488 
    2662 Ignored bad PDB record found on line 76307 
    2663 ATOM 2048a OWS SOL W5089 81.379 -19.113 42.472 1.00 0.00 O 
    2664  
    2665 Ignored bad PDB record found on line 76308 
    2666 ATOM 2048c HWS SOL W5089 81.679 -18.277 42.115 1.00 0.00 H 
    2667  
    2668 Ignored bad PDB record found on line 76309 
    2669 ATOM 2048e HWS SOL W5089 81.063 -18.898 43.350 1.00 0.00 H 
    2670  
    2671 Duplicate atom serial number found: 20490 
    2672 Duplicate atom serial number found: 20492 
    2673 Duplicate atom serial number found: 20494 
    2674 Duplicate atom serial number found: 20496 
    2675 Duplicate atom serial number found: 20498 
    2676 Ignored bad PDB record found on line 76315 
    2677 ATOM 2049a HWS SOL W5091 -67.495 -72.114 47.384 1.00 0.00 H 
    2678  
    2679 Ignored bad PDB record found on line 76316 
    2680 ATOM 2049c OWS SOL W5092 -81.425 -57.008 41.987 1.00 0.00 O 
    2681  
    2682 Ignored bad PDB record found on line 76317 
    2683 ATOM 2049e HWS SOL W5092 -80.893 -57.463 42.641 1.00 0.00 H 
    2684  
    2685 Ignored bad PDB record found on line 76318 
    2686 ATOM 204a0 HWS SOL W5092 -81.052 -57.275 41.147 1.00 0.00 H 
    2687  
    2688 Ignored bad PDB record found on line 76319 
    2689 ATOM 204a2 OWS SOL W5093 75.654 -55.540 41.916 1.00 0.00 O 
    2690  
    2691 46 messages similar to the above omitted 
    2692 Duplicate atom serial number found: 20500 
    2693 Duplicate atom serial number found: 20502 
    2694 Duplicate atom serial number found: 20504 
    2695 Duplicate atom serial number found: 20506 
    2696 Duplicate atom serial number found: 20508 
    2697 Ignored bad PDB record found on line 76371 
    2698 ATOM 2050a HWS SOL W5110 85.055 -54.326 77.644 1.00 0.00 H 
    2699  
    2700 Ignored bad PDB record found on line 76372 
    2701 ATOM 2050c HWS SOL W5110 86.404 -54.145 76.981 1.00 0.00 H 
    2702  
    2703 Ignored bad PDB record found on line 76373 
    2704 ATOM 2050e OWS SOL W5111 -70.473 -62.173 81.591 1.00 0.00 O 
    2705  
    2706 Duplicate atom serial number found: 20510 
    2707 Duplicate atom serial number found: 20512 
    2708 Duplicate atom serial number found: 20514 
    2709 Duplicate atom serial number found: 20516 
    2710 Duplicate atom serial number found: 20518 
    2711 Ignored bad PDB record found on line 76379 
    2712 ATOM 2051a OWS SOL W5113 -63.340 -36.323 60.429 1.00 0.00 O 
    2713  
    2714 Ignored bad PDB record found on line 76380 
    2715 ATOM 2051c HWS SOL W5113 -63.101 -36.904 61.150 1.00 0.00 H 
    2716  
    2717 Ignored bad PDB record found on line 76381 
    2718 ATOM 2051e HWS SOL W5113 -64.278 -36.171 60.544 1.00 0.00 H 
    2719  
    2720 Duplicate atom serial number found: 20520 
    2721 Duplicate atom serial number found: 20522 
    2722 Duplicate atom serial number found: 20524 
    2723 Duplicate atom serial number found: 20526 
    2724 Duplicate atom serial number found: 20528 
    2725 Ignored bad PDB record found on line 76387 
    2726 ATOM 2052a HWS SOL W5115 -84.180 -83.363 54.357 1.00 0.00 H 
    2727  
    2728 Ignored bad PDB record found on line 76388 
    2729 ATOM 2052c OWS SOL W5116 -51.236 -45.189 44.726 1.00 0.00 O 
    2730  
    2731 Ignored bad PDB record found on line 76389 
    2732 ATOM 2052e HWS SOL W5116 -50.860 -46.068 44.771 1.00 0.00 H 
    2733  
    2734 Duplicate atom serial number found: 20530 
    2735 Duplicate atom serial number found: 20532 
    2736 Duplicate atom serial number found: 20534 
    2737 Duplicate atom serial number found: 20536 
    2738 Duplicate atom serial number found: 20538 
    2739 Ignored bad PDB record found on line 76395 
    2740 ATOM 2053a HWS SOL W5118 -73.888 -67.379 54.247 1.00 0.00 H 
    2741  
    2742 Ignored bad PDB record found on line 76396 
    2743 ATOM 2053c HWS SOL W5118 -74.639 -66.107 54.577 1.00 0.00 H 
    2744  
    2745 Ignored bad PDB record found on line 76397 
    2746 ATOM 2053e OWS SOL W5119 -60.836 -52.920 35.422 1.00 0.00 O 
    2747  
    2748 Duplicate atom serial number found: 20540 
    2749 Duplicate atom serial number found: 20542 
    2750 Duplicate atom serial number found: 20544 
    2751 Duplicate atom serial number found: 20546 
    2752 Duplicate atom serial number found: 20548 
    2753 Ignored bad PDB record found on line 76403 
    2754 ATOM 2054a OWS SOL W5121 -60.087 -64.574 73.167 1.00 0.00 O 
    2755  
    2756 Ignored bad PDB record found on line 76404 
    2757 ATOM 2054c HWS SOL W5121 -59.690 -65.324 73.609 1.00 0.00 H 
    2758  
    2759 Ignored bad PDB record found on line 76405 
    2760 ATOM 2054e HWS SOL W5121 -60.986 -64.550 73.496 1.00 0.00 H 
    2761  
    2762 Duplicate atom serial number found: 20550 
    2763 Duplicate atom serial number found: 20552 
    2764 Duplicate atom serial number found: 20554 
    2765 Duplicate atom serial number found: 20556 
    2766 Duplicate atom serial number found: 20558 
    2767 Ignored bad PDB record found on line 76411 
    2768 ATOM 2055a HWS SOL W5123 -71.312 -56.973 49.676 1.00 0.00 H 
    2769  
    2770 Ignored bad PDB record found on line 76412 
    2771 ATOM 2055c OWS SOL W5124 -89.102 -76.377 45.210 1.00 0.00 O 
    2772  
    2773 Ignored bad PDB record found on line 76413 
    2774 ATOM 2055e HWS SOL W5124 -88.864 -75.452 45.271 1.00 0.00 H 
    2775  
    2776 Duplicate atom serial number found: 20560 
    2777 Duplicate atom serial number found: 20562 
    2778 Duplicate atom serial number found: 20564 
    2779 Duplicate atom serial number found: 20566 
    2780 Duplicate atom serial number found: 20568 
    2781 Ignored bad PDB record found on line 76419 
    2782 ATOM 2056a HWS SOL W5126 -83.367 -48.067 38.095 1.00 0.00 H 
    2783  
    2784 Ignored bad PDB record found on line 76420 
    2785 ATOM 2056c HWS SOL W5126 -82.578 -47.724 39.341 1.00 0.00 H 
    2786  
    2787 Ignored bad PDB record found on line 76421 
    2788 ATOM 2056e OWS SOL W5127 -82.459 -71.094 60.727 1.00 0.00 O 
    2789  
    2790 Duplicate atom serial number found: 20570 
    2791 Duplicate atom serial number found: 20572 
    2792 Duplicate atom serial number found: 20574 
    2793 Duplicate atom serial number found: 20576 
    2794 Duplicate atom serial number found: 20578 
    2795 Ignored bad PDB record found on line 76427 
    2796 ATOM 2057a OWS SOL W5129 -65.802 -73.103 53.042 1.00 0.00 O 
    2797  
    2798 Ignored bad PDB record found on line 76428 
    2799 ATOM 2057c HWS SOL W5129 -66.012 -72.488 52.340 1.00 0.00 H 
    2800  
    2801 Ignored bad PDB record found on line 76429 
    2802 ATOM 2057e HWS SOL W5129 -66.241 -72.744 53.814 1.00 0.00 H 
    2803  
    2804 Duplicate atom serial number found: 20580 
    2805 Duplicate atom serial number found: 20582 
    2806 Duplicate atom serial number found: 20584 
    2807 Duplicate atom serial number found: 20586 
    2808 Duplicate atom serial number found: 20588 
    2809 Ignored bad PDB record found on line 76435 
    2810 ATOM 2058a HWS SOL W5131 -77.584 -66.224 56.960 1.00 0.00 H 
    2811  
    2812 Ignored bad PDB record found on line 76436 
    2813 ATOM 2058c OWS SOL W5132 -65.329 -54.077 69.497 1.00 0.00 O 
    2814  
    2815 Ignored bad PDB record found on line 76437 
    2816 ATOM 2058e HWS SOL W5132 -64.604 -53.540 69.176 1.00 0.00 H 
    2817  
    2818 Duplicate atom serial number found: 20590 
    2819 Duplicate atom serial number found: 20592 
    2820 Duplicate atom serial number found: 20594 
    2821 Duplicate atom serial number found: 20596 
    2822 Duplicate atom serial number found: 20598 
    2823 Ignored bad PDB record found on line 76443 
    2824 ATOM 2059a HWS SOL W5134 -82.156 -48.097 48.045 1.00 0.00 H 
    2825  
    2826 Ignored bad PDB record found on line 76444 
    2827 ATOM 2059c HWS SOL W5134 -82.017 -48.100 49.552 1.00 0.00 H 
    2828  
    2829 Ignored bad PDB record found on line 76445 
    2830 ATOM 2059e OWS SOL W5135 -82.861 -77.003 60.506 1.00 0.00 O 
    2831  
    2832 Ignored bad PDB record found on line 76446 
    2833 ATOM 205a0 HWS SOL W5135 -83.167 -76.372 59.854 1.00 0.00 H 
    2834  
    2835 Ignored bad PDB record found on line 76447 
    2836 ATOM 205a2 HWS SOL W5135 -83.562 -77.036 61.156 1.00 0.00 H 
    2837  
    2838 46 messages similar to the above omitted 
    2839 Duplicate atom serial number found: 20600 
    2840 Duplicate atom serial number found: 20602 
    2841 Duplicate atom serial number found: 20604 
    2842 Duplicate atom serial number found: 20606 
    2843 Duplicate atom serial number found: 20608 
    2844 Ignored bad PDB record found on line 76499 
    2845 ATOM 2060a OWS SOL W5153 73.622 -43.994 62.972 1.00 0.00 O 
    2846  
    2847 Ignored bad PDB record found on line 76500 
    2848 ATOM 2060c HWS SOL W5153 73.216 -43.404 62.336 1.00 0.00 H 
    2849  
    2850 Ignored bad PDB record found on line 76501 
    2851 ATOM 2060e HWS SOL W5153 74.560 -43.932 62.792 1.00 0.00 H 
    2852  
    2853 Duplicate atom serial number found: 20610 
    2854 Duplicate atom serial number found: 20612 
    2855 Duplicate atom serial number found: 20614 
    2856 Duplicate atom serial number found: 20616 
    2857 Duplicate atom serial number found: 20618 
    2858 Ignored bad PDB record found on line 76507 
    2859 ATOM 2061a HWS SOL W5155 -85.665 -78.256 37.000 1.00 0.00 H 
    2860  
    2861 Ignored bad PDB record found on line 76508 
    2862 ATOM 2061c OWS SOL W5156 -89.398 -62.492 52.843 1.00 0.00 O 
    2863  
    2864 Ignored bad PDB record found on line 76509 
    2865 ATOM 2061e HWS SOL W5156 -88.840 -63.202 53.160 1.00 0.00 H 
    2866  
    2867 Duplicate atom serial number found: 20620 
    2868 Duplicate atom serial number found: 20622 
    2869 Duplicate atom serial number found: 20624 
    2870 Duplicate atom serial number found: 20626 
    2871 Duplicate atom serial number found: 20628 
    2872 Ignored bad PDB record found on line 76515 
    2873 ATOM 2062a HWS SOL W5158 -75.297 -60.384 61.712 1.00 0.00 H 
    2874  
    2875 Ignored bad PDB record found on line 76516 
    2876 ATOM 2062c HWS SOL W5158 -76.500 -60.610 60.820 1.00 0.00 H 
    2877  
    2878 Ignored bad PDB record found on line 76517 
    2879 ATOM 2062e OWS SOL W5159 -68.984 -58.827 77.757 1.00 0.00 O 
    2880  
    2881 Duplicate atom serial number found: 20630 
    2882 Duplicate atom serial number found: 20632 
    2883 Duplicate atom serial number found: 20634 
    2884 Duplicate atom serial number found: 20636 
    2885 Duplicate atom serial number found: 20638 
    2886 Ignored bad PDB record found on line 76523 
    2887 ATOM 2063a OWS SOL W5161 -83.536 -68.652 63.423 1.00 0.00 O 
    2888  
    2889 Ignored bad PDB record found on line 76524 
    2890 ATOM 2063c HWS SOL W5161 -83.200 -68.380 62.569 1.00 0.00 H 
    2891  
    2892 Ignored bad PDB record found on line 76525 
    2893 ATOM 2063e HWS SOL W5161 -83.460 -69.606 63.418 1.00 0.00 H 
    2894  
    2895 Duplicate atom serial number found: 20640 
    2896 Duplicate atom serial number found: 20642 
    2897 Duplicate atom serial number found: 20644 
    2898 Duplicate atom serial number found: 20646 
    2899 Duplicate atom serial number found: 20648 
    2900 Ignored bad PDB record found on line 76531 
    2901 ATOM 2064a HWS SOL W5163 -73.732 -56.052 62.378 1.00 0.00 H 
    2902  
    2903 Ignored bad PDB record found on line 76532 
    2904 ATOM 2064c OWS SOL W5164 -70.676 -69.018 65.764 1.00 0.00 O 
    2905  
    2906 Ignored bad PDB record found on line 76533 
    2907 ATOM 2064e HWS SOL W5164 -71.010 -69.133 64.874 1.00 0.00 H 
    2908  
    2909 Duplicate atom serial number found: 20650 
    2910 Duplicate atom serial number found: 20652 
    2911 Duplicate atom serial number found: 20654 
    2912 Duplicate atom serial number found: 20656 
    2913 Duplicate atom serial number found: 20658 
    2914 Ignored bad PDB record found on line 76539 
    2915 ATOM 2065a HWS SOL W5166 -75.191 -43.811 53.948 1.00 0.00 H 
    2916  
    2917 Ignored bad PDB record found on line 76540 
    2918 ATOM 2065c HWS SOL W5166 -76.657 -44.185 54.011 1.00 0.00 H 
    2919  
    2920 Ignored bad PDB record found on line 76541 
    2921 ATOM 2065e OWS SOL W5167 -78.434 -67.398 63.852 1.00 0.00 O 
    2922  
    2923 Duplicate atom serial number found: 20660 
    2924 Duplicate atom serial number found: 20662 
    2925 Duplicate atom serial number found: 20664 
    2926 Duplicate atom serial number found: 20666 
    2927 Duplicate atom serial number found: 20668 
    2928 Ignored bad PDB record found on line 76547 
    2929 ATOM 2066a OWS SOL W5169 84.671 -64.972 54.262 1.00 0.00 O 
    2930  
    2931 Ignored bad PDB record found on line 76548 
    2932 ATOM 2066c HWS SOL W5169 85.352 -65.615 54.459 1.00 0.00 H 
    2933  
    2934 Ignored bad PDB record found on line 76549 
    2935 ATOM 2066e HWS SOL W5169 84.882 -64.221 54.817 1.00 0.00 H 
    2936  
    2937 Duplicate atom serial number found: 20670 
    2938 Duplicate atom serial number found: 20672 
    2939 Duplicate atom serial number found: 20674 
    2940 Duplicate atom serial number found: 20676 
    2941 Duplicate atom serial number found: 20678 
    2942 Ignored bad PDB record found on line 76555 
    2943 ATOM 2067a HWS SOL W5171 -87.261 -75.831 50.187 1.00 0.00 H 
    2944  
    2945 Ignored bad PDB record found on line 76556 
    2946 ATOM 2067c OWS SOL W5172 -79.841 -74.710 58.684 1.00 0.00 O 
    2947  
    2948 Ignored bad PDB record found on line 76557 
    2949 ATOM 2067e HWS SOL W5172 -80.106 -75.431 58.113 1.00 0.00 H 
    2950  
    2951 Duplicate atom serial number found: 20680 
    2952 Duplicate atom serial number found: 20682 
    2953 Duplicate atom serial number found: 20684 
    2954 Duplicate atom serial number found: 20686 
    2955 Duplicate atom serial number found: 20688 
    2956 Ignored bad PDB record found on line 76563 
    2957 ATOM 2068a HWS SOL W5174 -79.343 -26.807 69.116 1.00 0.00 H 
    2958  
    2959 Ignored bad PDB record found on line 76564 
    2960 ATOM 2068c HWS SOL W5174 -80.223 -25.781 69.797 1.00 0.00 H 
    2961  
    2962 Ignored bad PDB record found on line 76565 
    2963 ATOM 2068e OWS SOL W5175 -83.519 -61.098 68.903 1.00 0.00 O 
    2964  
    2965 Duplicate atom serial number found: 20690 
    2966 Duplicate atom serial number found: 20692 
    2967 Duplicate atom serial number found: 20694 
    2968 Duplicate atom serial number found: 20696 
    2969 Duplicate atom serial number found: 20698 
    2970 Ignored bad PDB record found on line 76571 
    2971 ATOM 2069a OWS SOL W5177 86.379 -52.316 84.022 1.00 0.00 O 
    2972  
    2973 Ignored bad PDB record found on line 76572 
    2974 ATOM 2069c HWS SOL W5177 87.049 -51.764 83.618 1.00 0.00 H 
    2975  
    2976 Ignored bad PDB record found on line 76573 
    2977 ATOM 2069e HWS SOL W5177 86.380 -53.117 83.498 1.00 0.00 H 
    2978  
    2979 Ignored bad PDB record found on line 76574 
    2980 ATOM 206a0 OWS SOL W5178 84.123 -49.092 35.271 1.00 0.00 O 
    2981  
    2982 Ignored bad PDB record found on line 76575 
    2983 ATOM 206a2 HWS SOL W5178 83.182 -48.996 35.127 1.00 0.00 H 
    2984  
    2985 46 messages similar to the above omitted 
    2986 Duplicate atom serial number found: 20700 
    2987 Duplicate atom serial number found: 20702 
    2988 Duplicate atom serial number found: 20704 
    2989 Duplicate atom serial number found: 20706 
    2990 Duplicate atom serial number found: 20708 
    2991 Ignored bad PDB record found on line 76627 
    2992 ATOM 2070a HWS SOL W5195 -89.315 -75.785 59.239 1.00 0.00 H 
    2993  
    2994 Ignored bad PDB record found on line 76628 
    2995 ATOM 2070c OWS SOL W5196 -85.021 -66.405 63.965 1.00 0.00 O 
    2996  
    2997 Ignored bad PDB record found on line 76629 
    2998 ATOM 2070e HWS SOL W5196 -85.827 -66.687 63.533 1.00 0.00 H 
    2999  
    3000 Duplicate atom serial number found: 20710 
    3001 Duplicate atom serial number found: 20712 
    3002 Duplicate atom serial number found: 20714 
    3003 Duplicate atom serial number found: 20716 
    3004 Duplicate atom serial number found: 20718 
    3005 Ignored bad PDB record found on line 76635 
    3006 ATOM 2071a HWS SOL W5198 -78.487 -48.505 41.955 1.00 0.00 H 
    3007  
    3008 Ignored bad PDB record found on line 76636 
    3009 ATOM 2071c HWS SOL W5198 -77.473 -48.275 43.055 1.00 0.00 H 
    3010  
    3011 Ignored bad PDB record found on line 76637 
    3012 ATOM 2071e OWS SOL W5199 -86.374 -66.772 42.484 1.00 0.00 O 
    3013  
    3014 Duplicate atom serial number found: 20720 
    3015 Duplicate atom serial number found: 20722 
    3016 Duplicate atom serial number found: 20724 
    3017 Duplicate atom serial number found: 20726 
    3018 Duplicate atom serial number found: 20728 
    3019 Ignored bad PDB record found on line 76643 
    3020 ATOM 2072a OWS SOL W5201 -50.886 -77.435 65.908 1.00 0.00 O 
    3021  
    3022 Ignored bad PDB record found on line 76644 
    3023 ATOM 2072c HWS SOL W5201 -50.977 -76.801 65.196 1.00 0.00 H 
    3024  
    3025 Ignored bad PDB record found on line 76645 
    3026 ATOM 2072e HWS SOL W5201 -50.960 -76.913 66.706 1.00 0.00 H 
    3027  
    3028 Duplicate atom serial number found: 20730 
    3029 Duplicate atom serial number found: 20732 
    3030 Duplicate atom serial number found: 20734 
    3031 Duplicate atom serial number found: 20736 
    3032 Duplicate atom serial number found: 20738 
    3033 Ignored bad PDB record found on line 76651 
    3034 ATOM 2073a HWS SOL W5203 -89.612 -51.663 63.590 1.00 0.00 H 
    3035  
    3036 Ignored bad PDB record found on line 76652 
    3037 ATOM 2073c OWS SOL W5204 87.952 -47.793 60.202 1.00 0.00 O 
    3038  
    3039 Ignored bad PDB record found on line 76653 
    3040 ATOM 2073e HWS SOL W5204 87.847 -47.207 59.452 1.00 0.00 H 
    3041  
    3042 Duplicate atom serial number found: 20740 
    3043 Duplicate atom serial number found: 20742 
    3044 Duplicate atom serial number found: 20744 
    3045 Duplicate atom serial number found: 20746 
    3046 Duplicate atom serial number found: 20748 
    3047 Ignored bad PDB record found on line 76659 
    3048 ATOM 2074a HWS SOL W5206 86.291 -54.299 68.909 1.00 0.00 H 
    3049  
    3050 Ignored bad PDB record found on line 76660 
    3051 ATOM 2074c HWS SOL W5206 85.451 -53.742 70.039 1.00 0.00 H 
    3052  
    3053 Ignored bad PDB record found on line 76661 
    3054 ATOM 2074e OWS SOL W5207 -62.778 -36.240 33.373 1.00 0.00 O 
    3055  
    3056 Duplicate atom serial number found: 20750 
    3057 Duplicate atom serial number found: 20752 
    3058 Duplicate atom serial number found: 20754 
    3059 Duplicate atom serial number found: 20756 
    3060 Duplicate atom serial number found: 20758 
    3061 Ignored bad PDB record found on line 76667 
    3062 ATOM 2075a OWS SOL W5209 -86.613 -42.155 47.621 1.00 0.00 O 
    3063  
    3064 Ignored bad PDB record found on line 76668 
    3065 ATOM 2075c HWS SOL W5209 -87.336 -42.117 46.995 1.00 0.00 H 
    3066  
    3067 Ignored bad PDB record found on line 76669 
    3068 ATOM 2075e HWS SOL W5209 -86.293 -43.056 47.563 1.00 0.00 H 
    3069  
    3070 Duplicate atom serial number found: 20760 
    3071 Duplicate atom serial number found: 20762 
    3072 Duplicate atom serial number found: 20764 
    3073 Duplicate atom serial number found: 20766 
    3074 Duplicate atom serial number found: 20768 
    3075 Ignored bad PDB record found on line 76675 
    3076 ATOM 2076a HWS SOL W5211 76.102 -49.370 55.778 1.00 0.00 H 
    3077  
    3078 Ignored bad PDB record found on line 76676 
    3079 ATOM 2076c OWS SOL W5212 89.848 -55.496 67.721 1.00 0.00 O 
    3080  
    3081 Ignored bad PDB record found on line 76677 
    3082 ATOM 2076e HWS SOL W5212 89.063 -55.992 67.950 1.00 0.00 H 
    3083  
    3084 Duplicate atom serial number found: 20770 
    3085 Duplicate atom serial number found: 20772 
    3086 Duplicate atom serial number found: 20774 
    3087 Duplicate atom serial number found: 20776 
    3088 Duplicate atom serial number found: 20778 
    3089 Ignored bad PDB record found on line 76683 
    3090 ATOM 2077a HWS SOL W5214 -89.453 -65.398 55.026 1.00 0.00 H 
    3091  
    3092 Ignored bad PDB record found on line 76684 
    3093 ATOM 2077c HWS SOL W5214 -90.565 -66.395 54.779 1.00 0.00 H 
    3094  
    3095 Ignored bad PDB record found on line 76685 
    3096 ATOM 2077e OWS SOL W5215 -83.978 -63.341 60.055 1.00 0.00 O 
    3097  
    3098 Duplicate atom serial number found: 20780 
    3099 Duplicate atom serial number found: 20782 
    3100 Duplicate atom serial number found: 20784 
    3101 Duplicate atom serial number found: 20786 
    3102 Duplicate atom serial number found: 20788 
    3103 Ignored bad PDB record found on line 76691 
    3104 ATOM 2078a OWS SOL W5217 -68.105 -78.589 48.056 1.00 0.00 O 
    3105  
    3106 Ignored bad PDB record found on line 76692 
    3107 ATOM 2078c HWS SOL W5217 -68.984 -78.564 48.434 1.00 0.00 H 
    3108  
    3109 Ignored bad PDB record found on line 76693 
    3110 ATOM 2078e HWS SOL W5217 -67.799 -79.481 48.218 1.00 0.00 H 
    3111  
    3112 Duplicate atom serial number found: 20790 
    3113 Duplicate atom serial number found: 20792 
    3114 Duplicate atom serial number found: 20794 
    3115 Duplicate atom serial number found: 20796 
    3116 Duplicate atom serial number found: 20798 
    3117 Ignored bad PDB record found on line 76699 
    3118 ATOM 2079a HWS SOL W5219 -71.151 -56.336 63.713 1.00 0.00 H 
    3119  
    3120 Ignored bad PDB record found on line 76700 
    3121 ATOM 2079c OWS SOL W5220 -87.192 -79.271 44.419 1.00 0.00 O 
    3122  
    3123 Ignored bad PDB record found on line 76701 
    3124 ATOM 2079e HWS SOL W5220 -86.355 -78.811 44.483 1.00 0.00 H 
    3125  
    3126 Ignored bad PDB record found on line 76702 
    3127 ATOM 207a0 HWS SOL W5220 -87.551 -79.241 45.306 1.00 0.00 H 
    3128  
    3129 Ignored bad PDB record found on line 76703 
    3130 ATOM 207a2 OWS SOL W5221 89.027 -53.137 62.006 1.00 0.00 O 
    3131  
    3132 46 messages similar to the above omitted 
    3133 Duplicate atom serial number found: 20800 
    3134 Duplicate atom serial number found: 20802 
    3135 Duplicate atom serial number found: 20804 
    3136 Duplicate atom serial number found: 20806 
    3137 Duplicate atom serial number found: 20808 
    3138 Ignored bad PDB record found on line 76755 
    3139 ATOM 2080a HWS SOL W5238 -86.529 -45.699 70.396 1.00 0.00 H 
    3140  
    3141 Ignored bad PDB record found on line 76756 
    3142 ATOM 2080c HWS SOL W5238 -85.766 -45.397 69.124 1.00 0.00 H 
    3143  
    3144 Ignored bad PDB record found on line 76757 
    3145 ATOM 2080e OWS SOL W5239 -66.410 -58.240 74.939 1.00 0.00 O 
    3146  
    3147 Duplicate atom serial number found: 20810 
    3148 Duplicate atom serial number found: 20812 
    3149 Duplicate atom serial number found: 20814 
    3150 Duplicate atom serial number found: 20816 
    3151 Duplicate atom serial number found: 20818 
    3152 Ignored bad PDB record found on line 76763 
    3153 ATOM 2081a OWS SOL W5241 -77.711 -53.682 69.824 1.00 0.00 O 
    3154  
    3155 Ignored bad PDB record found on line 76764 
    3156 ATOM 2081c HWS SOL W5241 -78.447 -53.887 69.248 1.00 0.00 H 
    3157  
    3158 Ignored bad PDB record found on line 76765 
    3159 ATOM 2081e HWS SOL W5241 -77.052 -53.300 69.244 1.00 0.00 H 
    3160  
    3161 Duplicate atom serial number found: 20820 
    3162 Duplicate atom serial number found: 20822 
    3163 Duplicate atom serial number found: 20824 
    3164 Duplicate atom serial number found: 20826 
    3165 Duplicate atom serial number found: 20828 
    3166 Ignored bad PDB record found on line 76771 
    3167 ATOM 2082a HWS SOL W5243 74.353 -54.040 58.621 1.00 0.00 H 
    3168  
    3169 Ignored bad PDB record found on line 76772 
    3170 ATOM 2082c OWS SOL W5244 -74.715 -56.413 34.957 1.00 0.00 O 
    3171  
    3172 Ignored bad PDB record found on line 76773 
    3173 ATOM 2082e HWS SOL W5244 -75.062 -55.618 34.552 1.00 0.00 H 
    3174  
    3175 Duplicate atom serial number found: 20830 
    3176 Duplicate atom serial number found: 20832 
    3177 Duplicate atom serial number found: 20834 
    3178 Duplicate atom serial number found: 20836 
    3179 Duplicate atom serial number found: 20838 
    3180 Ignored bad PDB record found on line 76779 
    3181 ATOM 2083a HWS SOL W5246 -74.441 -37.844 72.225 1.00 0.00 H 
    3182  
    3183 Ignored bad PDB record found on line 76780 
    3184 ATOM 2083c HWS SOL W5246 -74.211 -37.440 73.666 1.00 0.00 H 
    3185  
    3186 Ignored bad PDB record found on line 76781 
    3187 ATOM 2083e OWS SOL W5247 87.249 -31.733 40.133 1.00 0.00 O 
    3188  
    3189 Duplicate atom serial number found: 20840 
    3190 Duplicate atom serial number found: 20842 
    3191 Duplicate atom serial number found: 20844 
    3192 Duplicate atom serial number found: 20846 
    3193 Duplicate atom serial number found: 20848 
    3194 Ignored bad PDB record found on line 76787 
    3195 ATOM 2084a OWS SOL W5249 -87.528 -64.335 44.713 1.00 0.00 O 
    3196  
    3197 Ignored bad PDB record found on line 76788 
    3198 ATOM 2084c HWS SOL W5249 -86.642 -64.066 44.469 1.00 0.00 H 
    3199  
    3200 Ignored bad PDB record found on line 76789 
    3201 ATOM 2084e HWS SOL W5249 -88.064 -64.113 43.952 1.00 0.00 H 
    3202  
    3203 Duplicate atom serial number found: 20850 
    3204 Duplicate atom serial number found: 20852 
    3205 Duplicate atom serial number found: 20854 
    3206 Duplicate atom serial number found: 20856 
    3207 Duplicate atom serial number found: 20858 
    3208 Ignored bad PDB record found on line 76795 
    3209 ATOM 2085a HWS SOL W5251 -83.724 -69.678 66.331 1.00 0.00 H 
    3210  
    3211 Ignored bad PDB record found on line 76796 
    3212 ATOM 2085c OWS SOL W5252 -55.689 -55.664 73.284 1.00 0.00 O 
    3213  
    3214 Ignored bad PDB record found on line 76797 
    3215 ATOM 2085e HWS SOL W5252 -55.829 -54.945 72.668 1.00 0.00 H 
    3216  
    3217 Duplicate atom serial number found: 20860 
    3218 Duplicate atom serial number found: 20862 
    3219 Duplicate atom serial number found: 20864 
    3220 Duplicate atom serial number found: 20866 
    3221 Duplicate atom serial number found: 20868 
    3222 Ignored bad PDB record found on line 76803 
    3223 ATOM 2086a HWS SOL W5254 86.166 -37.167 57.627 1.00 0.00 H 
    3224  
    3225 Ignored bad PDB record found on line 76804 
    3226 ATOM 2086c HWS SOL W5254 87.523 -37.052 56.966 1.00 0.00 H 
    3227  
    3228 Ignored bad PDB record found on line 76805 
    3229 ATOM 2086e OWS SOL W5255 -67.151 -50.803 60.090 1.00 0.00 O 
    3230  
    3231 Duplicate atom serial number found: 20870 
    3232 Duplicate atom serial number found: 20872 
    3233 Duplicate atom serial number found: 20874 
    3234 Duplicate atom serial number found: 20876 
    3235 Duplicate atom serial number found: 20878 
    3236 Ignored bad PDB record found on line 76811 
    3237 ATOM 2087a OWS SOL W5257 74.148 -26.596 62.979 1.00 0.00 O 
    3238  
    3239 Ignored bad PDB record found on line 76812 
    3240 ATOM 2087c HWS SOL W5257 74.559 -25.738 62.876 1.00 0.00 H 
    3241  
    3242 Ignored bad PDB record found on line 76813 
    3243 ATOM 2087e HWS SOL W5257 73.902 -26.634 63.903 1.00 0.00 H 
    3244  
    3245 Duplicate atom serial number found: 20880 
    3246 Duplicate atom serial number found: 20882 
    3247 Duplicate atom serial number found: 20884 
    3248 Duplicate atom serial number found: 20886 
    3249 Duplicate atom serial number found: 20888 
    3250 Ignored bad PDB record found on line 76819 
    3251 ATOM 2088a HWS SOL W5259 -89.068 -67.565 50.349 1.00 0.00 H 
    3252  
    3253 Ignored bad PDB record found on line 76820 
    3254 ATOM 2088c OWS SOL W5260 81.575 -56.490 41.927 1.00 0.00 O 
    3255  
    3256 Ignored bad PDB record found on line 76821 
    3257 ATOM 2088e HWS SOL W5260 82.353 -56.220 41.439 1.00 0.00 H 
    3258  
    3259 Duplicate atom serial number found: 20890 
    3260 Duplicate atom serial number found: 20892 
    3261 Duplicate atom serial number found: 20894 
    3262 Duplicate atom serial number found: 20896 
    3263 Duplicate atom serial number found: 20898 
    3264 Ignored bad PDB record found on line 76827 
    3265 ATOM 2089a HWS SOL W5262 -79.330 -68.442 45.314 1.00 0.00 H 
    3266  
    3267 Ignored bad PDB record found on line 76828 
    3268 ATOM 2089c HWS SOL W5262 -78.599 -68.733 46.607 1.00 0.00 H 
    3269  
    3270 Ignored bad PDB record found on line 76829 
    3271 ATOM 2089e OWS SOL W5263 90.084 -55.267 77.187 1.00 0.00 O 
    3272  
    3273 Ignored bad PDB record found on line 76830 
    3274 ATOM 208a0 HWS SOL W5263 89.833 -55.849 76.469 1.00 0.00 H 
    3275  
    3276 Ignored bad PDB record found on line 76831 
    3277 ATOM 208a2 HWS SOL W5263 90.045 -55.819 77.968 1.00 0.00 H 
    3278  
    3279 46 messages similar to the above omitted 
    3280 Duplicate atom serial number found: 20900 
    3281 Duplicate atom serial number found: 20902 
    3282 Duplicate atom serial number found: 20904 
    3283 Duplicate atom serial number found: 20906 
    3284 Duplicate atom serial number found: 20908 
    3285 Ignored bad PDB record found on line 76883 
    3286 ATOM 2090a OWS SOL W5281 79.994 -50.475 48.277 1.00 0.00 O 
    3287  
    3288 Ignored bad PDB record found on line 76884 
    3289 ATOM 2090c HWS SOL W5281 80.586 -50.917 47.668 1.00 0.00 H 
    3290  
    3291 Ignored bad PDB record found on line 76885 
    3292 ATOM 2090e HWS SOL W5281 79.910 -49.588 47.928 1.00 0.00 H 
    3293  
    3294 Duplicate atom serial number found: 20910 
    3295 Duplicate atom serial number found: 20912 
    3296 Duplicate atom serial number found: 20914 
    3297 Duplicate atom serial number found: 20916 
    3298 Duplicate atom serial number found: 20918 
    3299 Ignored bad PDB record found on line 76891 
    3300 ATOM 2091a HWS SOL W5284 -85.030 -57.113 58.029 1.00 0.00 H 
    3301  
    3302 Ignored bad PDB record found on line 76892 
    3303 ATOM 2091c OWS SOL W5285 88.355 -52.988 77.826 1.00 0.00 O 
    3304  
    3305 Ignored bad PDB record found on line 76893 
    3306 ATOM 2091e HWS SOL W5285 89.051 -53.599 77.582 1.00 0.00 H 
    3307  
    3308 Duplicate atom serial number found: 20920 
    3309 Duplicate atom serial number found: 20922 
    3310 Duplicate atom serial number found: 20924 
    3311 Duplicate atom serial number found: 20926 
    3312 Duplicate atom serial number found: 20928 
    3313 Ignored bad PDB record found on line 76899 
    3314 ATOM 2092a HWS SOL W5287 -76.043 -52.972 67.201 1.00 0.00 H 
    3315  
    3316 Ignored bad PDB record found on line 76900 
    3317 ATOM 2092c HWS SOL W5287 -77.011 -51.912 67.683 1.00 0.00 H 
    3318  
    3319 Ignored bad PDB record found on line 76901 
    3320 ATOM 2092e OWS SOL W5288 -87.136 -54.700 58.082 1.00 0.00 O 
    3321  
    3322 Duplicate atom serial number found: 20930 
    3323 Duplicate atom serial number found: 20932 
    3324 Duplicate atom serial number found: 20934 
    3325 Duplicate atom serial number found: 20936 
    3326 Duplicate atom serial number found: 20938 
    3327 Ignored bad PDB record found on line 76907 
    3328 ATOM 2093a OWS SOL W5290 -76.411 -45.913 45.902 1.00 0.00 O 
    3329  
    3330 Ignored bad PDB record found on line 76908 
    3331 ATOM 2093c HWS SOL W5290 -76.381 -45.050 46.315 1.00 0.00 H 
    3332  
    3333 Ignored bad PDB record found on line 76909 
    3334 ATOM 2093e HWS SOL W5290 -75.493 -46.168 45.810 1.00 0.00 H 
    3335  
    3336 Duplicate atom serial number found: 20940 
    3337 Duplicate atom serial number found: 20942 
    3338 Duplicate atom serial number found: 20944 
    3339 Duplicate atom serial number found: 20946 
    3340 Duplicate atom serial number found: 20948 
    3341 Ignored bad PDB record found on line 76915 
    3342 ATOM 2094a HWS SOL W5292 -79.035 -80.727 72.843 1.00 0.00 H 
    3343  
    3344 Ignored bad PDB record found on line 76916 
    3345 ATOM 2094c OWS SOL W5293 -72.432 -73.360 66.057 1.00 0.00 O 
    3346  
    3347 Ignored bad PDB record found on line 76917 
    3348 ATOM 2094e HWS SOL W5293 -71.689 -72.949 66.498 1.00 0.00 H 
    3349  
    3350 Duplicate atom serial number found: 20950 
    3351 Duplicate atom serial number found: 20952 
    3352 Duplicate atom serial number found: 20954 
    3353 Duplicate atom serial number found: 20956 
    3354 Duplicate atom serial number found: 20958 
    3355 Ignored bad PDB record found on line 76923 
    3356 ATOM 2095a HWS SOL W5295 -77.425 -64.979 47.672 1.00 0.00 H 
    3357  
    3358 Ignored bad PDB record found on line 76924 
    3359 ATOM 2095c HWS SOL W5295 -76.399 -65.407 48.699 1.00 0.00 H 
    3360  
    3361 Ignored bad PDB record found on line 76925 
    3362 ATOM 2095e OWS SOL W5296 -70.923 -74.027 54.979 1.00 0.00 O 
    3363  
    3364 Duplicate atom serial number found: 20960 
    3365 Duplicate atom serial number found: 20962 
    3366 Duplicate atom serial number found: 20964 
    3367 Duplicate atom serial number found: 20966 
    3368 Duplicate atom serial number found: 20968 
    3369 Ignored bad PDB record found on line 76931 
    3370 ATOM 2096a OWS SOL W5298 -74.031 -65.744 79.429 1.00 0.00 O 
    3371  
    3372 Ignored bad PDB record found on line 76932 
    3373 ATOM 2096c HWS SOL W5298 -74.724 -65.242 79.001 1.00 0.00 H 
    3374  
    3375 Ignored bad PDB record found on line 76933 
    3376 ATOM 2096e HWS SOL W5298 -74.193 -66.650 79.164 1.00 0.00 H 
    3377  
    3378 Duplicate atom serial number found: 20970 
    3379 Duplicate atom serial number found: 20972 
    3380 Duplicate atom serial number found: 20974 
    3381 Duplicate atom serial number found: 20976 
    3382 Duplicate atom serial number found: 20978 
    3383 Ignored bad PDB record found on line 76939 
    3384 ATOM 2097a HWS SOL W5300 -69.008 -60.483 53.421 1.00 0.00 H 
    3385  
    3386 Ignored bad PDB record found on line 76940 
    3387 ATOM 2097c OWS SOL W5301 -78.487 -56.923 87.273 1.00 0.00 O 
    3388  
    3389 Ignored bad PDB record found on line 76941 
    3390 ATOM 2097e HWS SOL W5301 -77.906 -56.196 87.497 1.00 0.00 H 
    3391  
    3392 Duplicate atom serial number found: 20980 
    3393 Duplicate atom serial number found: 20982 
    3394 Duplicate atom serial number found: 20984 
    3395 Duplicate atom serial number found: 20986 
    3396 Duplicate atom serial number found: 20988 
    3397 Ignored bad PDB record found on line 76947 
    3398 ATOM 2098a HWS SOL W5303 -76.535 -68.498 46.133 1.00 0.00 H 
    3399  
    3400 Ignored bad PDB record found on line 76948 
    3401 ATOM 2098c HWS SOL W5303 -75.053 -68.810 46.130 1.00 0.00 H 
    3402  
    3403 Ignored bad PDB record found on line 76949 
    3404 ATOM 2098e OWS SOL W5304 -83.129 -71.204 36.706 1.00 0.00 O 
    3405  
    3406 Duplicate atom serial number found: 20990 
    3407 Duplicate atom serial number found: 20992 
    3408 Duplicate atom serial number found: 20994 
    3409 Duplicate atom serial number found: 20996 
    3410 Duplicate atom serial number found: 20998 
    3411 Ignored bad PDB record found on line 76955 
    3412 ATOM 2099a OWS SOL W5306 -82.583 -56.321 50.012 1.00 0.00 O 
    3413  
    3414 Ignored bad PDB record found on line 76956 
    3415 ATOM 2099c HWS SOL W5306 -82.581 -56.931 49.274 1.00 0.00 H 
    3416  
    3417 Ignored bad PDB record found on line 76957 
    3418 ATOM 2099e HWS SOL W5306 -83.010 -55.535 49.672 1.00 0.00 H 
    3419  
    3420 Ignored bad PDB record found on line 76958 
    3421 ATOM 209a0 OWS SOL W5307 -87.456 -65.103 52.086 1.00 0.00 O 
    3422  
    3423 Ignored bad PDB record found on line 76959 
    3424 ATOM 209a2 HWS SOL W5307 -87.310 -66.034 52.254 1.00 0.00 H 
    3425  
    3426 814 messages similar to the above omitted 
    3427 Duplicate atom serial number found: 21000 
    3428 Duplicate atom serial number found: 21002 
    3429 Duplicate atom serial number found: 21004 
    3430 Duplicate atom serial number found: 21006 
    3431 Duplicate atom serial number found: 21008 
    3432 Ignored bad PDB record found on line 77779 
    3433 ATOM 2100a HWS SOL W5582 -70.530 -86.136 64.079 1.00 0.00 H 
    3434  
    3435 Ignored bad PDB record found on line 77780 
    3436 ATOM 2100c OWS SOL W5583 -74.483 -55.103 57.440 1.00 0.00 O 
    3437  
    3438 Ignored bad PDB record found on line 77781 
    3439 ATOM 2100e HWS SOL W5583 -74.855 -55.950 57.685 1.00 0.00 H 
    3440  
    3441 Duplicate atom serial number found: 21010 
    3442 Duplicate atom serial number found: 21012 
    3443 Duplicate atom serial number found: 21014 
    3444 Duplicate atom serial number found: 21016 
    3445 Duplicate atom serial number found: 21018 
    3446 Ignored bad PDB record found on line 77787 
    3447 ATOM 2101a HWS SOL W5585 -89.342 -75.217 71.860 1.00 0.00 H 
    3448  
    3449 Ignored bad PDB record found on line 77788 
    3450 ATOM 2101c HWS SOL W5585 -87.974 -75.252 71.214 1.00 0.00 H 
    3451  
    3452 Ignored bad PDB record found on line 77789 
    3453 ATOM 2101e OWS SOL W5586 85.000 -56.778 84.744 1.00 0.00 O 
    3454  
    3455 Duplicate atom serial number found: 21020 
    3456 Duplicate atom serial number found: 21022 
    3457 Duplicate atom serial number found: 21024 
    3458 Duplicate atom serial number found: 21026 
    3459 Duplicate atom serial number found: 21028 
    3460 Ignored bad PDB record found on line 77795 
    3461 ATOM 2102a OWS SOL W5588 -67.632 -49.420 -83.317 1.00 0.00 O 
    3462  
    3463 Ignored bad PDB record found on line 77796 
    3464 ATOM 2102c HWS SOL W5588 -68.177 -50.199 -83.429 1.00 0.00 H 
    3465  
    3466 Ignored bad PDB record found on line 77797 
    3467 ATOM 2102e HWS SOL W5588 -66.733 -49.747 -83.363 1.00 0.00 H 
    3468  
    3469 Duplicate atom serial number found: 21030 
    3470 Duplicate atom serial number found: 21032 
    3471 Duplicate atom serial number found: 21034 
    3472 Duplicate atom serial number found: 21036 
    3473 Duplicate atom serial number found: 21038 
    3474 Ignored bad PDB record found on line 77803 
    3475 ATOM 2103a HWS SOL W5590 81.201 -52.063 81.230 1.00 0.00 H 
    3476  
    3477 Ignored bad PDB record found on line 77804 
    3478 ATOM 2103c OWS SOL W5591 -83.903 -56.602 85.543 1.00 0.00 O 
    3479  
    3480 Ignored bad PDB record found on line 77805 
    3481 ATOM 2103e HWS SOL W5591 -83.730 -56.780 86.467 1.00 0.00 H 
    3482  
    3483 Duplicate atom serial number found: 21040 
    3484 Duplicate atom serial number found: 21042 
    3485 Duplicate atom serial number found: 21044 
    3486 Duplicate atom serial number found: 21046 
    3487 Duplicate atom serial number found: 21048 
    3488 Ignored bad PDB record found on line 77811 
    3489 ATOM 2104a HWS SOL W5593 -84.394 -58.233 65.386 1.00 0.00 H 
    3490  
    3491 Ignored bad PDB record found on line 77812 
    3492 ATOM 2104c HWS SOL W5593 -83.525 -59.023 66.341 1.00 0.00 H 
    3493  
    3494 Ignored bad PDB record found on line 77813 
    3495 ATOM 2104e OWS SOL W5594 81.976 -66.683 84.676 1.00 0.00 O 
    3496  
    3497 Duplicate atom serial number found: 21050 
    3498 Duplicate atom serial number found: 21052 
    3499 Duplicate atom serial number found: 21054 
    3500 Duplicate atom serial number found: 21056 
    3501 Duplicate atom serial number found: 21058 
    3502 Ignored bad PDB record found on line 77819 
    3503 ATOM 2105a OWS SOL W5596 84.578 -62.025 68.672 1.00 0.00 O 
    3504  
    3505 Ignored bad PDB record found on line 77820 
    3506 ATOM 2105c HWS SOL W5596 84.439 -61.079 68.614 1.00 0.00 H 
    3507  
    3508 Ignored bad PDB record found on line 77821 
    3509 ATOM 2105e HWS SOL W5596 84.458 -62.228 69.600 1.00 0.00 H 
    3510  
    3511 Duplicate atom serial number found: 21060 
    3512 Duplicate atom serial number found: 21062 
    3513 Duplicate atom serial number found: 21064 
    3514 Duplicate atom serial number found: 21066 
    3515 Duplicate atom serial number found: 21068 
    3516 Ignored bad PDB record found on line 77827 
    3517 ATOM 2106a HWS SOL W5598 89.186 -44.499 -89.211 1.00 0.00 H 
    3518  
    3519 Ignored bad PDB record found on line 77828 
    3520 ATOM 2106c OWS SOL W5599 75.498 -49.564 52.640 1.00 0.00 O 
    3521  
    3522 Ignored bad PDB record found on line 77829 
    3523 ATOM 2106e HWS SOL W5599 76.172 -48.971 52.307 1.00 0.00 H 
    3524  
    3525 Duplicate atom serial number found: 21070 
    3526 Duplicate atom serial number found: 21072 
    3527 Duplicate atom serial number found: 21074 
    3528 Duplicate atom serial number found: 21076 
    3529 Duplicate atom serial number found: 21078 
    3530 Ignored bad PDB record found on line 77835 
    3531 ATOM 2107a HWS SOL W5601 -79.375 -43.947 80.180 1.00 0.00 H 
    3532  
    3533 Ignored bad PDB record found on line 77836 
    3534 ATOM 2107c HWS SOL W5601 -78.870 -42.855 79.262 1.00 0.00 H 
    3535  
    3536 Ignored bad PDB record found on line 77837 
    3537 ATOM 2107e OWS SOL W5602 -60.603 -69.205 86.359 1.00 0.00 O 
    3538  
    3539 Duplicate atom serial number found: 21080 
    3540 Duplicate atom serial number found: 21082 
    3541 Duplicate atom serial number found: 21084 
    3542 Duplicate atom serial number found: 21086 
    3543 Duplicate atom serial number found: 21088 
    3544 Ignored bad PDB record found on line 77843 
    3545 ATOM 2108a OWS SOL W5604 -79.754 -80.805 53.931 1.00 0.00 O 
    3546  
    3547 Ignored bad PDB record found on line 77844 
    3548 ATOM 2108c HWS SOL W5604 -79.552 -80.941 54.857 1.00 0.00 H 
    3549  
    3550 Ignored bad PDB record found on line 77845 
    3551 ATOM 2108e HWS SOL W5604 -79.840 -79.856 53.841 1.00 0.00 H 
    3552  
    3553 Duplicate atom serial number found: 21090 
    3554 Duplicate atom serial number found: 21092 
    3555 Duplicate atom serial number found: 21094 
    3556 Duplicate atom serial number found: 21096 
    3557 Duplicate atom serial number found: 21098 
    3558 Ignored bad PDB record found on line 77851 
    3559 ATOM 2109a HWS SOL W5606 81.186 -31.876 81.507 1.00 0.00 H 
    3560  
    3561 Ignored bad PDB record found on line 77852 
    3562 ATOM 2109c OWS SOL W5607 80.532 -65.205 51.567 1.00 0.00 O 
    3563  
    3564 Ignored bad PDB record found on line 77853 
    3565 ATOM 2109e HWS SOL W5607 81.395 -64.862 51.801 1.00 0.00 H 
    3566  
    3567 Ignored bad PDB record found on line 77854 
    3568 ATOM 210a0 HWS SOL W5607 80.055 -65.239 52.396 1.00 0.00 H 
    3569  
    3570 Ignored bad PDB record found on line 77855 
    3571 ATOM 210a2 OWS SOL W5608 -78.963 -75.317 -80.966 1.00 0.00 O 
    3572  
    3573 46 messages similar to the above omitted 
    3574 Duplicate atom serial number found: 21100 
    3575 Duplicate atom serial number found: 21102 
    3576 Duplicate atom serial number found: 21104 
    3577 Duplicate atom serial number found: 21106 
    3578 Duplicate atom serial number found: 21108 
    3579 Ignored bad PDB record found on line 77907 
    3580 ATOM 2110a HWS SOL W5625 86.342 -58.464 74.635 1.00 0.00 H 
    3581  
    3582 Ignored bad PDB record found on line 77908 
    3583 ATOM 2110c HWS SOL W5625 87.602 -59.032 74.017 1.00 0.00 H 
    3584  
    3585 Ignored bad PDB record found on line 77909 
    3586 ATOM 2110e OWS SOL W5626 86.808 -33.547 86.225 1.00 0.00 O 
    3587  
    3588 Duplicate atom serial number found: 21110 
    3589 Duplicate atom serial number found: 21112 
    3590 Duplicate atom serial number found: 21114 
    3591 Duplicate atom serial number found: 21116 
    3592 Duplicate atom serial number found: 21118 
    3593 Ignored bad PDB record found on line 77915 
    3594 ATOM 2111a OWS SOL W5628 -88.929 -79.999 67.433 1.00 0.00 O 
    3595  
    3596 Ignored bad PDB record found on line 77916 
    3597 ATOM 2111c HWS SOL W5628 -88.097 -80.467 67.502 1.00 0.00 H 
    3598  
    3599 Ignored bad PDB record found on line 77917 
    3600 ATOM 2111e HWS SOL W5628 -89.449 -80.521 66.823 1.00 0.00 H 
    3601  
    3602 Duplicate atom serial number found: 21120 
    3603 Duplicate atom serial number found: 21122 
    3604 Duplicate atom serial number found: 21124 
    3605 Duplicate atom serial number found: 21126 
    3606 Duplicate atom serial number found: 21128 
    3607 Ignored bad PDB record found on line 77923 
    3608 ATOM 2112a HWS SOL W5630 -80.110 -59.786 83.661 1.00 0.00 H 
    3609  
    3610 Ignored bad PDB record found on line 77924 
    3611 ATOM 2112c OWS SOL W5631 81.750 -57.163 84.076 1.00 0.00 O 
    3612  
    3613 Ignored bad PDB record found on line 77925 
    3614 ATOM 2112e HWS SOL W5631 80.806 -57.143 83.924 1.00 0.00 H 
    3615  
    3616 Duplicate atom serial number found: 21130 
    3617 Duplicate atom serial number found: 21132 
    3618 Duplicate atom serial number found: 21134 
    3619 Duplicate atom serial number found: 21136 
    3620 Duplicate atom serial number found: 21138 
    3621 Ignored bad PDB record found on line 77931 
    3622 ATOM 2113a HWS SOL W5633 -82.865 -57.120 -89.067 1.00 0.00 H 
    3623  
    3624 Ignored bad PDB record found on line 77932 
    3625 ATOM 2113c HWS SOL W5633 -82.492 -57.303 -87.612 1.00 0.00 H 
    3626  
    3627 Ignored bad PDB record found on line 77933 
    3628 ATOM 2113e OWS SOL W5634 82.435 -62.040 -81.811 1.00 0.00 O 
    3629  
    3630 Duplicate atom serial number found: 21140 
    3631 Duplicate atom serial number found: 21142 
    3632 Duplicate atom serial number found: 21144 
    3633 Duplicate atom serial number found: 21146 
    3634 Duplicate atom serial number found: 21148 
    3635 Ignored bad PDB record found on line 77939 
    3636 ATOM 2114a OWS SOL W5636 -79.918 -54.813 -90.167 1.00 0.00 O 
    3637  
    3638 Ignored bad PDB record found on line 77940 
    3639 ATOM 2114c HWS SOL W5636 -78.989 -54.947 -89.978 1.00 0.00 H 
    3640  
    3641 Ignored bad PDB record found on line 77941 
    3642 ATOM 2114e HWS SOL W5636 -80.282 -54.471 -89.350 1.00 0.00 H 
    3643  
    3644 Duplicate atom serial number found: 21150 
    3645 Duplicate atom serial number found: 21152 
    3646 Duplicate atom serial number found: 21154 
    3647 Duplicate atom serial number found: 21156 
    3648 Duplicate atom serial number found: 21158 
    3649 Ignored bad PDB record found on line 77947 
    3650 ATOM 2115a HWS SOL W5638 -74.476 -54.206 73.857 1.00 0.00 H 
    3651  
    3652 Ignored bad PDB record found on line 77948 
    3653 ATOM 2115c OWS SOL W5639 -84.372 -56.244 73.025 1.00 0.00 O 
    3654  
    3655 Ignored bad PDB record found on line 77949 
    3656 ATOM 2115e HWS SOL W5639 -83.986 -55.671 72.362 1.00 0.00 H 
    3657  
    3658 Duplicate atom serial number found: 21160 
    3659 Duplicate atom serial number found: 21162 
    3660 Duplicate atom serial number found: 21164 
    3661 Duplicate atom serial number found: 21166 
    3662 Duplicate atom serial number found: 21168 
    3663 Ignored bad PDB record found on line 77955 
    3664 ATOM 2116a HWS SOL W5641 -88.997 -40.165 84.250 1.00 0.00 H 
    3665  
    3666 Ignored bad PDB record found on line 77956 
    3667 ATOM 2116c HWS SOL W5641 -89.939 -39.144 84.851 1.00 0.00 H 
    3668  
    3669 Ignored bad PDB record found on line 77957 
    3670 ATOM 2116e OWS SOL W5642 -75.652 -47.098 86.538 1.00 0.00 O 
    3671  
    3672 Duplicate atom serial number found: 21170 
    3673 Duplicate atom serial number found: 21172 
    3674 Duplicate atom serial number found: 21174 
    3675 Duplicate atom serial number found: 21176 
    3676 Duplicate atom serial number found: 21178 
    3677 Ignored bad PDB record found on line 77963 
    3678 ATOM 2117a OWS SOL W5644 -64.829 -47.986 71.340 1.00 0.00 O 
    3679  
    3680 Ignored bad PDB record found on line 77964 
    3681 ATOM 2117c HWS SOL W5644 -65.160 -48.370 72.152 1.00 0.00 H 
    3682  
    3683 Ignored bad PDB record found on line 77965 
    3684 ATOM 2117e HWS SOL W5644 -64.915 -47.042 71.468 1.00 0.00 H 
    3685  
    3686 Duplicate atom serial number found: 21180 
    3687 Duplicate atom serial number found: 21182 
    3688 Duplicate atom serial number found: 21184 
    3689 Duplicate atom serial number found: 21186 
    3690 Duplicate atom serial number found: 21188 
    3691 Ignored bad PDB record found on line 77971 
    3692 ATOM 2118a HWS SOL W5646 -59.564 -67.451 82.735 1.00 0.00 H 
    3693  
    3694 Ignored bad PDB record found on line 77972 
    3695 ATOM 2118c OWS SOL W5647 -84.404 -62.738 81.537 1.00 0.00 O 
    3696  
    3697 Ignored bad PDB record found on line 77973 
    3698 ATOM 2118e HWS SOL W5647 -84.550 -63.679 81.435 1.00 0.00 H 
    3699  
    3700 Duplicate atom serial number found: 21190 
    3701 Duplicate atom serial number found: 21192 
    3702 Duplicate atom serial number found: 21194 
    3703 Duplicate atom serial number found: 21196 
    3704 Duplicate atom serial number found: 21198 
    3705 Ignored bad PDB record found on line 77979 
    3706 ATOM 2119a HWS SOL W5649 -85.111 -50.536 -81.692 1.00 0.00 H 
    3707  
    3708 Ignored bad PDB record found on line 77980 
    3709 ATOM 2119c HWS SOL W5649 -86.619 -50.667 -81.701 1.00 0.00 H 
    3710  
    3711 Ignored bad PDB record found on line 77981 
    3712 ATOM 2119e OWS SOL W5650 -70.268 -47.758 87.645 1.00 0.00 O 
    3713  
    3714 Ignored bad PDB record found on line 77982 
    3715 ATOM 211a0 HWS SOL W5650 -71.144 -48.134 87.738 1.00 0.00 H 
    3716  
    3717 Ignored bad PDB record found on line 77983 
    3718 ATOM 211a2 HWS SOL W5650 -69.968 -48.059 86.788 1.00 0.00 H 
    3719  
    3720 46 messages similar to the above omitted 
    3721 Duplicate atom serial number found: 21200 
    3722 Duplicate atom serial number found: 21202 
    3723 Duplicate atom serial number found: 21204 
    3724 Duplicate atom serial number found: 21206 
    3725 Duplicate atom serial number found: 21208 
    3726 Ignored bad PDB record found on line 78035 
    3727 ATOM 2120a OWS SOL W5668 -73.450 -51.070 89.701 1.00 0.00 O 
    3728  
    3729 Ignored bad PDB record found on line 78036 
    3730 ATOM 2120c HWS SOL W5668 -73.666 -51.981 89.504 1.00 0.00 H 
    3731  
    3732 Ignored bad PDB record found on line 78037 
    3733 ATOM 2120e HWS SOL W5668 -73.993 -50.560 89.101 1.00 0.00 H 
    3734  
    3735 Duplicate atom serial number found: 21210 
    3736 Duplicate atom serial number found: 21212 
    3737 Duplicate atom serial number found: 21214 
    3738 Duplicate atom serial number found: 21216 
    3739 Duplicate atom serial number found: 21218 
    3740 Ignored bad PDB record found on line 78043 
    3741 ATOM 2121a HWS SOL W5670 -88.039 -74.180 63.210 1.00 0.00 H 
    3742  
    3743 Ignored bad PDB record found on line 78044 
    3744 ATOM 2121c OWS SOL W5671 87.352 -54.694 82.968 1.00 0.00 O 
    3745  
    3746 Ignored bad PDB record found on line 78045 
    3747 ATOM 2121e HWS SOL W5671 86.704 -55.005 82.336 1.00 0.00 H 
    3748  
    3749 Duplicate atom serial number found: 21220 
    3750 Duplicate atom serial number found: 21222 
    3751 Duplicate atom serial number found: 21224 
    3752 Duplicate atom serial number found: 21226 
    3753 Duplicate atom serial number found: 21228 
    3754 Ignored bad PDB record found on line 78051 
    3755 ATOM 2122a HWS SOL W5673 -81.724 -60.629 88.396 1.00 0.00 H 
    3756  
    3757 Ignored bad PDB record found on line 78052 
    3758 ATOM 2122c HWS SOL W5673 -82.860 -59.999 87.619 1.00 0.00 H 
    3759  
    3760 Ignored bad PDB record found on line 78053 
    3761 ATOM 2122e OWS SOL W5674 -69.894 -61.262 78.926 1.00 0.00 O 
    3762  
    3763 Duplicate atom serial number found: 21230 
    3764 Duplicate atom serial number found: 21232 
    3765 Duplicate atom serial number found: 21234 
    3766 Duplicate atom serial number found: 21236 
    3767 Duplicate atom serial number found: 21238 
    3768 Ignored bad PDB record found on line 78059 
    3769 ATOM 2123a OWS SOL W5676 -86.704 -38.575 -87.985 1.00 0.00 O 
    3770  
    3771 Ignored bad PDB record found on line 78060 
    3772 ATOM 2123c HWS SOL W5676 -86.841 -38.677 -88.927 1.00 0.00 H 
    3773  
    3774 Ignored bad PDB record found on line 78061 
    3775 ATOM 2123e HWS SOL W5676 -87.388 -39.110 -87.583 1.00 0.00 H 
    3776  
    3777 Duplicate atom serial number found: 21240 
    3778 Duplicate atom serial number found: 21242 
    3779 Duplicate atom serial number found: 21244 
    3780 Duplicate atom serial number found: 21246 
    3781 Duplicate atom serial number found: 21248 
    3782 Ignored bad PDB record found on line 78067 
    3783 ATOM 2124a HWS SOL W5678 -86.294 -67.801 70.304 1.00 0.00 H 
    3784  
    3785 Ignored bad PDB record found on line 78068 
    3786 ATOM 2124c OWS SOL W5679 -61.416 -67.950 80.572 1.00 0.00 O 
    3787  
    3788 Ignored bad PDB record found on line 78069 
    3789 ATOM 2124e HWS SOL W5679 -61.220 -68.879 80.454 1.00 0.00 H 
    3790  
    3791 Duplicate atom serial number found: 21250 
    3792 Duplicate atom serial number found: 21252 
    3793 Duplicate atom serial number found: 21254 
    3794 Duplicate atom serial number found: 21256 
    3795 Duplicate atom serial number found: 21258 
    3796 Ignored bad PDB record found on line 78075 
    3797 ATOM 2125a HWS SOL W5681 -81.153 -63.332 76.956 1.00 0.00 H 
    3798  
    3799 Ignored bad PDB record found on line 78076 
    3800 ATOM 2125c HWS SOL W5681 -81.221 -63.193 75.450 1.00 0.00 H 
    3801  
    3802 Ignored bad PDB record found on line 78077 
    3803 ATOM 2125e OWS SOL W5682 -78.759 -71.703 85.933 1.00 0.00 O 
    3804  
    3805 Duplicate atom serial number found: 21260 
    3806 Duplicate atom serial number found: 21262 
    3807 Duplicate atom serial number found: 21264 
    3808 Duplicate atom serial number found: 21266 
    3809 Duplicate atom serial number found: 21268 
    3810 Ignored bad PDB record found on line 78083 
    3811 ATOM 2126a OWS SOL W5684 -77.226 -36.892 87.461 1.00 0.00 O 
    3812  
    3813 Ignored bad PDB record found on line 78084 
    3814 ATOM 2126c HWS SOL W5684 -77.330 -37.565 86.788 1.00 0.00 H 
    3815  
    3816 Ignored bad PDB record found on line 78085 
    3817 ATOM 2126e HWS SOL W5684 -76.606 -37.269 88.084 1.00 0.00 H 
    3818  
    3819 Duplicate atom serial number found: 21270 
    3820 Duplicate atom serial number found: 21272 
    3821 Duplicate atom serial number found: 21274 
    3822 Duplicate atom serial number found: 21276 
    3823 Duplicate atom serial number found: 21278 
    3824 Ignored bad PDB record found on line 78091 
    3825 ATOM 2127a HWS SOL W5686 -64.339 -35.087 73.891 1.00 0.00 H 
    3826  
    3827 Ignored bad PDB record found on line 78092 
    3828 ATOM 2127c OWS SOL W5687 82.404 -57.651 76.696 1.00 0.00 O 
    3829  
    3830 Ignored bad PDB record found on line 78093 
    3831 ATOM 2127e HWS SOL W5687 81.736 -58.161 77.154 1.00 0.00 H 
    3832  
    3833 Duplicate atom serial number found: 21280 
    3834 Duplicate atom serial number found: 21282 
    3835 Duplicate atom serial number found: 21284 
    3836 Duplicate atom serial number found: 21286 
    3837 Duplicate atom serial number found: 21288 
    3838 Ignored bad PDB record found on line 78099 
    3839 ATOM 2128a HWS SOL W5689 -83.288 -53.480 88.905 1.00 0.00 H 
    3840  
    3841 Ignored bad PDB record found on line 78100 
    3842 ATOM 2128c HWS SOL W5689 -82.465 -52.445 89.642 1.00 0.00 H 
    3843  
    3844 Ignored bad PDB record found on line 78101 
    3845 ATOM 2128e OWS SOL W5690 -86.590 -37.915 -76.617 1.00 0.00 O 
    3846  
    3847 Duplicate atom serial number found: 21290 
    3848 Duplicate atom serial number found: 21292 
    3849 Duplicate atom serial number found: 21294 
    3850 Duplicate atom serial number found: 21296 
    3851 Duplicate atom serial number found: 21298 
    3852 Ignored bad PDB record found on line 78107 
    3853 ATOM 2129a OWS SOL W5692 74.091 -58.201 59.639 1.00 0.00 O 
    3854  
    3855 Ignored bad PDB record found on line 78108 
    3856 ATOM 2129c HWS SOL W5692 73.759 -57.620 60.324 1.00 0.00 H 
    3857  
    3858 Ignored bad PDB record found on line 78109 
    3859 ATOM 2129e HWS SOL W5692 74.236 -59.037 60.083 1.00 0.00 H 
    3860  
    3861 Ignored bad PDB record found on line 78110 
    3862 ATOM 212a0 OWS SOL W5693 -85.305 -54.202 78.829 1.00 0.00 O 
    3863  
    3864 Ignored bad PDB record found on line 78111 
    3865 ATOM 212a2 HWS SOL W5693 -85.273 -53.863 77.935 1.00 0.00 H 
    3866  
    3867 46 messages similar to the above omitted 
    3868 Duplicate atom serial number found: 21300 
    3869 Duplicate atom serial number found: 21302 
    3870 Duplicate atom serial number found: 21304 
    3871 Duplicate atom serial number found: 21306 
    3872 Duplicate atom serial number found: 21308 
    3873 Ignored bad PDB record found on line 78163 
    3874 ATOM 2130a HWS SOL W5710 88.330 -64.166 80.119 1.00 0.00 H 
    3875  
    3876 Ignored bad PDB record found on line 78164 
    3877 ATOM 2130c OWS SOL W5711 77.417 -58.741 79.645 1.00 0.00 O 
    3878  
    3879 Ignored bad PDB record found on line 78165 
    3880 ATOM 2130e HWS SOL W5711 77.451 -58.018 79.018 1.00 0.00 H 
    3881  
    3882 Duplicate atom serial number found: 21310 
    3883 Duplicate atom serial number found: 21312 
    3884 Duplicate atom serial number found: 21314 
    3885 Duplicate atom serial number found: 21316 
    3886 Duplicate atom serial number found: 21318 
    3887 Ignored bad PDB record found on line 78171 
    3888 ATOM 2131a HWS SOL W5713 88.679 -34.559 80.694 1.00 0.00 H 
    3889  
    3890 Ignored bad PDB record found on line 78172 
    3891 ATOM 2131c HWS SOL W5713 89.691 -33.654 81.363 1.00 0.00 H 
    3892  
    3893 Ignored bad PDB record found on line 78173 
    3894 ATOM 2131e OWS SOL W5714 -79.632 -31.925 72.801 1.00 0.00 O 
    3895  
    3896 Duplicate atom serial number found: 21320 
    3897 Duplicate atom serial number found: 21322 
    3898 Duplicate atom serial number found: 21324 
    3899 Duplicate atom serial number found: 21326 
    3900 Duplicate atom serial number found: 21328 
    3901 Ignored bad PDB record found on line 78179 
    3902 ATOM 2132a OWS SOL W5716 85.656 -75.065 68.671 1.00 0.00 O 
    3903  
    3904 Ignored bad PDB record found on line 78180 
    3905 ATOM 2132c HWS SOL W5716 84.941 -75.700 68.717 1.00 0.00 H 
    3906  
    3907 Ignored bad PDB record found on line 78181 
    3908 ATOM 2132e HWS SOL W5716 85.738 -74.730 69.564 1.00 0.00 H 
    3909  
    3910 Duplicate atom serial number found: 21330 
    3911 Duplicate atom serial number found: 21332 
    3912 Duplicate atom serial number found: 21334 
    3913 Duplicate atom serial number found: 21336 
    3914 Duplicate atom serial number found: 21338 
    3915 Ignored bad PDB record found on line 78187 
    3916 ATOM 2133a HWS SOL W5718 -61.851 -63.058 -86.045 1.00 0.00 H 
    3917  
    3918 Ignored bad PDB record found on line 78188 
    3919 ATOM 2133c OWS SOL W5719 -81.665 -53.159 66.227 1.00 0.00 O 
    3920  
    3921 Ignored bad PDB record found on line 78189 
    3922 ATOM 2133e HWS SOL W5719 -81.757 -53.335 65.291 1.00 0.00 H 
    3923  
    3924 Duplicate atom serial number found: 21340 
    3925 Duplicate atom serial number found: 21342 
    3926 Duplicate atom serial number found: 21344 
    3927 Duplicate atom serial number found: 21346 
    3928 Duplicate atom serial number found: 21348 
    3929 Ignored bad PDB record found on line 78195 
    3930 ATOM 2134a HWS SOL W5721 -67.133 -67.566 66.984 1.00 0.00 H 
    3931  
    3932 Ignored bad PDB record found on line 78196 
    3933 ATOM 2134c HWS SOL W5721 -67.343 -66.278 67.752 1.00 0.00 H 
    3934  
    3935 Ignored bad PDB record found on line 78197 
    3936 ATOM 2134e OWS SOL W5722 87.779 -62.002 -88.045 1.00 0.00 O 
    3937  
    3938 Duplicate atom serial number found: 21350 
    3939 Duplicate atom serial number found: 21352 
    3940 Duplicate atom serial number found: 21354 
    3941 Duplicate atom serial number found: 21356 
    3942 Duplicate atom serial number found: 21358 
    3943 Ignored bad PDB record found on line 78203 
    3944 ATOM 2135a OWS SOL W5724 -78.203 -67.547 -88.521 1.00 0.00 O 
    3945  
    3946 Ignored bad PDB record found on line 78204 
    3947 ATOM 2135c HWS SOL W5724 -78.637 -67.906 -89.295 1.00 0.00 H 
    3948  
    3949 Ignored bad PDB record found on line 78205 
    3950 ATOM 2135e HWS SOL W5724 -77.277 -67.512 -88.759 1.00 0.00 H 
    3951  
    3952 Duplicate atom serial number found: 21360 
    3953 Duplicate atom serial number found: 21362 
    3954 Duplicate atom serial number found: 21364 
    3955 Duplicate atom serial number found: 21366 
    3956 Duplicate atom serial number found: 21368 
    3957 Ignored bad PDB record found on line 78211 
    3958 ATOM 2136a HWS SOL W5726 -73.114 -57.859 75.567 1.00 0.00 H 
    3959  
    3960 Ignored bad PDB record found on line 78212 
    3961 ATOM 2136c OWS SOL W5727 -83.370 -70.449 79.779 1.00 0.00 O 
    3962  
    3963 Ignored bad PDB record found on line 78213 
    3964 ATOM 2136e HWS SOL W5727 -82.694 -70.998 80.177 1.00 0.00 H 
    3965  
    3966 Duplicate atom serial number found: 21370 
    3967 Duplicate atom serial number found: 21372 
    3968 Duplicate atom serial number found: 21374 
    3969 Duplicate atom serial number found: 21376 
    3970 Duplicate atom serial number found: 21378 
    3971 Ignored bad PDB record found on line 78219 
    3972 ATOM 2137a HWS SOL W5729 -86.784 -70.006 68.858 1.00 0.00 H 
    3973  
    3974 Ignored bad PDB record found on line 78220 
    3975 ATOM 2137c HWS SOL W5729 -86.664 -68.620 68.262 1.00 0.00 H 
    3976  
    3977 Ignored bad PDB record found on line 78221 
    3978 ATOM 2137e OWS SOL W5730 88.243 -59.826 79.770 1.00 0.00 O 
    3979  
    3980 Duplicate atom serial number found: 21380 
    3981 Duplicate atom serial number found: 21382 
    3982 Duplicate atom serial number found: 21384 
    3983 Duplicate atom serial number found: 21386 
    3984 Duplicate atom serial number found: 21388 
    3985 Ignored bad PDB record found on line 78227 
    3986 ATOM 2138a OWS SOL W5732 89.868 -45.785 79.286 1.00 0.00 O 
    3987  
    3988 Ignored bad PDB record found on line 78228 
    3989 ATOM 2138c HWS SOL W5732 90.452 -46.295 78.725 1.00 0.00 H 
    3990  
    3991 Ignored bad PDB record found on line 78229 
    3992 ATOM 2138e HWS SOL W5732 88.988 -46.077 79.046 1.00 0.00 H 
    3993  
    3994 Duplicate atom serial number found: 21390 
    3995 Duplicate atom serial number found: 21392 
    3996 Duplicate atom serial number found: 21394 
    3997 Duplicate atom serial number found: 21396 
    3998 Duplicate atom serial number found: 21398 
    3999 Ignored bad PDB record found on line 78235 
    4000 ATOM 2139a HWS SOL W5734 -77.231 -69.528 -81.946 1.00 0.00 H 
    4001  
    4002 Ignored bad PDB record found on line 78236 
    4003 ATOM 2139c OWS SOL W5735 -76.530 -28.797 -88.800 1.00 0.00 O 
    4004  
    4005 Ignored bad PDB record found on line 78237 
    4006 ATOM 2139e HWS SOL W5735 -76.555 -28.558 -89.727 1.00 0.00 H 
    4007  
    4008 Ignored bad PDB record found on line 78238 
    4009 ATOM 213a0 HWS SOL W5735 -75.634 -29.100 -88.655 1.00 0.00 H 
    4010  
    4011 Ignored bad PDB record found on line 78239 
    4012 ATOM 213a2 OWS SOL W5736 80.328 -58.941 77.848 1.00 0.00 O 
    4013  
    4014 46 messages similar to the above omitted 
    4015 Duplicate atom serial number found: 21400 
    4016 Duplicate atom serial number found: 21402 
    4017 Duplicate atom serial number found: 21404 
    4018 Duplicate atom serial number found: 21406 
    4019 Duplicate atom serial number found: 21408 
    4020 Ignored bad PDB record found on line 78291 
    4021 ATOM 2140a HWS SOL W5753 88.625 -47.034 71.993 1.00 0.00 H 
    4022  
    4023 Ignored bad PDB record found on line 78292 
    4024 ATOM 2140c HWS SOL W5753 88.048 -45.635 72.020 1.00 0.00 H 
    4025  
    4026 Ignored bad PDB record found on line 78293 
    4027 ATOM 2140e OWS SOL W5754 -87.191 -48.116 77.482 1.00 0.00 O 
    4028  
    4029 Duplicate atom serial number found: 21410 
    4030 Duplicate atom serial number found: 21412 
    4031 Duplicate atom serial number found: 21414 
    4032 Duplicate atom serial number found: 21416 
    4033 Duplicate atom serial number found: 21418 
    4034 Ignored bad PDB record found on line 78299 
    4035 ATOM 2141a OWS SOL W5756 -78.251 -45.074 73.923 1.00 0.00 O 
    4036  
    4037 Ignored bad PDB record found on line 78300 
    4038 ATOM 2141c HWS SOL W5756 -78.322 -44.129 74.059 1.00 0.00 H 
    4039  
    4040 Ignored bad PDB record found on line 78301 
    4041 ATOM 2141e HWS SOL W5756 -78.191 -45.439 74.806 1.00 0.00 H 
    4042  
    4043 Duplicate atom serial number found: 21420 
    4044 Duplicate atom serial number found: 21422 
    4045 Duplicate atom serial number found: 21424 
    4046 Duplicate atom serial number found: 21426 
    4047 Duplicate atom serial number found: 21428 
    4048 Ignored bad PDB record found on line 78307 
    4049 ATOM 2142a HWS SOL W5758 -69.585 -55.918 -73.604 1.00 0.00 H 
    4050  
    4051 Ignored bad PDB record found on line 78308 
    4052 ATOM 2142c OWS SOL W5759 -87.263 -73.249 72.738 1.00 0.00 O 
    4053  
    4054 Ignored bad PDB record found on line 78309 
    4055 ATOM 2142e HWS SOL W5759 -86.755 -73.685 72.053 1.00 0.00 H 
    4056  
    4057 Duplicate atom serial number found: 21430 
    4058 Duplicate atom serial number found: 21432 
    4059 Duplicate atom serial number found: 21434 
    4060 Duplicate atom serial number found: 21436 
    4061 Duplicate atom serial number found: 21438 
    4062 Ignored bad PDB record found on line 78315 
    4063 ATOM 2143a HWS SOL W5761 82.365 -78.170 63.604 1.00 0.00 H 
    4064  
    4065 Ignored bad PDB record found on line 78316 
    4066 ATOM 2143c HWS SOL W5761 82.920 -78.623 62.270 1.00 0.00 H 
    4067  
    4068 Ignored bad PDB record found on line 78317 
    4069 ATOM 2143e OWS SOL W5762 -54.573 -55.471 88.048 1.00 0.00 O 
    4070  
    4071 Duplicate atom serial number found: 21440 
    4072 Duplicate atom serial number found: 21442 
    4073 Duplicate atom serial number found: 21444 
    4074 Duplicate atom serial number found: 21446 
    4075 Duplicate atom serial number found: 21448 
    4076 Ignored bad PDB record found on line 78323 
    4077 ATOM 2144a OWS SOL W5764 82.544 -44.499 87.209 1.00 0.00 O 
    4078  
    4079 Ignored bad PDB record found on line 78324 
    4080 ATOM 2144c HWS SOL W5764 83.001 -45.296 86.942 1.00 0.00 H 
    4081  
    4082 Ignored bad PDB record found on line 78325 
    4083 ATOM 2144e HWS SOL W5764 82.209 -44.696 88.084 1.00 0.00 H 
    4084  
    4085 Duplicate atom serial number found: 21450 
    4086 Duplicate atom serial number found: 21452 
    4087 Duplicate atom serial number found: 21454 
    4088 Duplicate atom serial number found: 21456 
    4089 Duplicate atom serial number found: 21458 
    4090 Ignored bad PDB record found on line 78331 
    4091 ATOM 2145a HWS SOL W5766 -76.474 -43.842 70.017 1.00 0.00 H 
    4092  
    4093 Ignored bad PDB record found on line 78332 
    4094 ATOM 2145c OWS SOL W5767 89.583 -48.961 73.062 1.00 0.00 O 
    4095  
    4096 Ignored bad PDB record found on line 78333 
    4097 ATOM 2145e HWS SOL W5767 90.299 -49.099 72.441 1.00 0.00 H 
    4098  
    4099 Duplicate atom serial number found: 21460 
    4100 Duplicate atom serial number found: 21462 
    4101 Duplicate atom serial number found: 21464 
    4102 Duplicate atom serial number found: 21466 
    4103 Duplicate atom serial number found: 21468 
    4104 Ignored bad PDB record found on line 78339 
    4105 ATOM 2146a HWS SOL W5769 -81.569 -39.359 72.549 1.00 0.00 H 
    4106  
    4107 Ignored bad PDB record found on line 78340 
    4108 ATOM 2146c HWS SOL W5769 -81.365 -38.872 73.968 1.00 0.00 H 
    4109  
    4110 Ignored bad PDB record found on line 78341 
    4111 ATOM 2146e OWS SOL W5770 83.597 -39.629 -88.143 1.00 0.00 O 
    4112  
    4113 Duplicate atom serial number found: 21470 
    4114 Duplicate atom serial number found: 21472 
    4115 Duplicate atom serial number found: 21474 
    4116 Duplicate atom serial number found: 21476 
    4117 Duplicate atom serial number found: 21478 
    4118 Ignored bad PDB record found on line 78347 
    4119 ATOM 2147a OWS SOL W5772 -84.029 -60.946 54.707 1.00 0.00 O 
    4120  
    4121 Ignored bad PDB record found on line 78348 
    4122 ATOM 2147c HWS SOL W5772 -84.258 -60.020 54.628 1.00 0.00 H 
    4123  
    4124 Ignored bad PDB record found on line 78349 
    4125 ATOM 2147e HWS SOL W5772 -84.870 -61.392 54.814 1.00 0.00 H 
    4126  
    4127 Duplicate atom serial number found: 21480 
    4128 Duplicate atom serial number found: 21482 
    4129 Duplicate atom serial number found: 21484 
    4130 Duplicate atom serial number found: 21486 
    4131 Duplicate atom serial number found: 21488 
    4132 Ignored bad PDB record found on line 78355 
    4133 ATOM 2148a HWS SOL W5774 -72.249 -54.799 83.940 1.00 0.00 H 
    4134  
    4135 Ignored bad PDB record found on line 78356 
    4136 ATOM 2148c OWS SOL W5775 -89.129 -32.037 -83.026 1.00 0.00 O 
    4137  
    4138 Ignored bad PDB record found on line 78357 
    4139 ATOM 2148e HWS SOL W5775 -89.584 -32.586 -82.388 1.00 0.00 H 
    4140  
    4141 Duplicate atom serial number found: 21490 
    4142 Duplicate atom serial number found: 21492 
    4143 Duplicate atom serial number found: 21494 
    4144 Duplicate atom serial number found: 21496 
    4145 Duplicate atom serial number found: 21498 
    4146 Ignored bad PDB record found on line 78363 
    4147 ATOM 2149a HWS SOL W5777 -87.440 -6.137 -77.554 1.00 0.00 H 
    4148  
    4149 Ignored bad PDB record found on line 78364 
    4150 ATOM 2149c HWS SOL W5777 -87.851 -7.333 -76.722 1.00 0.00 H 
    4151  
    4152 Ignored bad PDB record found on line 78365 
    4153 ATOM 2149e OWS SOL W5778 -66.331 -21.761 89.431 1.00 0.00 O 
    4154  
    4155 Ignored bad PDB record found on line 78366 
    4156 ATOM 214a0 HWS SOL W5778 -66.694 -22.506 89.911 1.00 0.00 H 
    4157  
    4158 Ignored bad PDB record found on line 78367 
    4159 ATOM 214a2 HWS SOL W5778 -67.084 -21.195 89.263 1.00 0.00 H 
    4160  
    4161 46 messages similar to the above omitted 
    4162 Duplicate atom serial number found: 21500 
    4163 Duplicate atom serial number found: 21502 
    4164 Duplicate atom serial number found: 21504 
    4165 Duplicate atom serial number found: 21506 
    4166 Duplicate atom serial number found: 21508 
    4167 Ignored bad PDB record found on line 78419 
    4168 ATOM 2150a OWS SOL W5796 -88.589 -36.541 -74.343 1.00 0.00 O 
    4169  
    4170 Ignored bad PDB record found on line 78420 
    4171 ATOM 2150c HWS SOL W5796 -88.150 -35.984 -73.701 1.00 0.00 H 
    4172  
    4173 Ignored bad PDB record found on line 78421 
    4174 ATOM 2150e HWS SOL W5796 -89.496 -36.586 -74.042 1.00 0.00 H 
    4175  
    4176 Duplicate atom serial number found: 21510 
    4177 Duplicate atom serial number found: 21512 
    4178 Duplicate atom serial number found: 21514 
    4179 Duplicate atom serial number found: 21516 
    4180 Duplicate atom serial number found: 21518 
    4181 Ignored bad PDB record found on line 78427 
    4182 ATOM 2151a HWS SOL W5798 -55.040 -23.381 -76.911 1.00 0.00 H 
    4183  
    4184 Ignored bad PDB record found on line 78428 
    4185 ATOM 2151c OWS SOL W5799 -59.585 -29.389 -69.935 1.00 0.00 O 
    4186  
    4187 Ignored bad PDB record found on line 78429 
    4188 ATOM 2151e HWS SOL W5799 -59.043 -28.654 -69.648 1.00 0.00 H 
    4189  
    4190 Duplicate atom serial number found: 21520 
    4191 Duplicate atom serial number found: 21522 
    4192 Duplicate atom serial number found: 21524 
    4193 Duplicate atom serial number found: 21526 
    4194 Duplicate atom serial number found: 21528 
    4195 Ignored bad PDB record found on line 78435 
    4196 ATOM 2152a HWS SOL W5801 -74.933 -32.272 -83.545 1.00 0.00 H 
    4197  
    4198 Ignored bad PDB record found on line 78436 
    4199 ATOM 2152c HWS SOL W5801 -75.528 -31.369 -84.604 1.00 0.00 H 
    4200  
    4201 Ignored bad PDB record found on line 78437 
    4202 ATOM 2152e OWS SOL W5802 -63.718 -33.822 -87.711 1.00 0.00 O 
    4203  
    4204 Duplicate atom serial number found: 21530 
    4205 Duplicate atom serial number found: 21532 
    4206 Duplicate atom serial number found: 21534 
    4207 Duplicate atom serial number found: 21536 
    4208 Duplicate atom serial number found: 21538 
    4209 Ignored bad PDB record found on line 78443 
    4210 ATOM 2153a OWS SOL W5804 -83.584 -14.949 83.612 1.00 0.00 O 
    4211  
    4212 Ignored bad PDB record found on line 78444 
    4213 ATOM 2153c HWS SOL W5804 -83.417 -15.833 83.285 1.00 0.00 H 
    4214  
    4215 Ignored bad PDB record found on line 78445 
    4216 ATOM 2153e HWS SOL W5804 -82.752 -14.489 83.495 1.00 0.00 H 
    4217  
    4218 Duplicate atom serial number found: 21540 
    4219 Duplicate atom serial number found: 21542 
    4220 Duplicate atom serial number found: 21544 
    4221 Duplicate atom serial number found: 21546 
    4222 Duplicate atom serial number found: 21548 
    4223 Ignored bad PDB record found on line 78451 
    4224 ATOM 2154a HWS SOL W5806 -84.742 -13.021 -71.741 1.00 0.00 H 
    4225  
    4226 Ignored bad PDB record found on line 78452 
    4227 ATOM 2154c OWS SOL W5807 -79.765 -26.790 -84.288 1.00 0.00 O 
    4228  
    4229 Ignored bad PDB record found on line 78453 
    4230 ATOM 2154e HWS SOL W5807 -80.068 -25.909 -84.069 1.00 0.00 H 
    4231  
    4232 Duplicate atom serial number found: 21550 
    4233 Duplicate atom serial number found: 21552 
    4234 Duplicate atom serial number found: 21554 
    4235 Duplicate atom serial number found: 21556 
    4236 Duplicate atom serial number found: 21558 
    4237 Ignored bad PDB record found on line 78459 
    4238 ATOM 2155a HWS SOL W5809 74.670 -17.531 -73.407 1.00 0.00 H 
    4239  
    4240 Ignored bad PDB record found on line 78460 
    4241 ATOM 2155c HWS SOL W5809 75.950 -16.975 -73.993 1.00 0.00 H 
    4242  
    4243 Ignored bad PDB record found on line 78461 
    4244 ATOM 2155e OWS SOL W5810 79.741 -28.022 -84.468 1.00 0.00 O 
    4245  
    4246 Duplicate atom serial number found: 21560 
    4247 Duplicate atom serial number found: 21562 
    4248 Duplicate atom serial number found: 21564 
    4249 Duplicate atom serial number found: 21566 
    4250 Duplicate atom serial number found: 21568 
    4251 Ignored bad PDB record found on line 78467 
    4252 ATOM 2156a OWS SOL W5812 -75.695 -23.680 -56.977 1.00 0.00 O 
    4253  
    4254 Ignored bad PDB record found on line 78468 
    4255 ATOM 2156c HWS SOL W5812 -76.228 -23.905 -56.214 1.00 0.00 H 
    4256  
    4257 Ignored bad PDB record found on line 78469 
    4258 ATOM 2156e HWS SOL W5812 -75.018 -24.356 -57.005 1.00 0.00 H 
    4259  
    4260 Duplicate atom serial number found: 21570 
    4261 Duplicate atom serial number found: 21572 
    4262 Duplicate atom serial number found: 21574 
    4263 Duplicate atom serial number found: 21576 
    4264 Duplicate atom serial number found: 21578 
    4265 Ignored bad PDB record found on line 78475 
    4266 ATOM 2157a HWS SOL W5814 -77.050 -17.893 -83.236 1.00 0.00 H 
    4267  
    4268 Ignored bad PDB record found on line 78476 
    4269 ATOM 2157c OWS SOL W5815 -89.798 -22.160 -75.740 1.00 0.00 O 
    4270  
    4271 Ignored bad PDB record found on line 78477 
    4272 ATOM 2157e HWS SOL W5815 -89.543 -21.240 -75.667 1.00 0.00 H 
    4273  
    4274 Duplicate atom serial number found: 21580 
    4275 Duplicate atom serial number found: 21582 
    4276 Duplicate atom serial number found: 21584 
    4277 Duplicate atom serial number found: 21586 
    4278 Duplicate atom serial number found: 21588 
    4279 Ignored bad PDB record found on line 78483 
    4280 ATOM 2158a HWS SOL W5817 82.551 -20.883 -73.890 1.00 0.00 H 
    4281  
    4282 Ignored bad PDB record found on line 78484 
    4283 ATOM 2158c HWS SOL W5817 81.748 -19.690 -73.417 1.00 0.00 H 
    4284  
    4285 Ignored bad PDB record found on line 78485 
    4286 ATOM 2158e OWS SOL W5818 -87.703 -19.509 -52.996 1.00 0.00 O 
    4287  
    4288 Duplicate atom serial number found: 21590 
    4289 Duplicate atom serial number found: 21592 
    4290 Duplicate atom serial number found: 21594 
    4291 Duplicate atom serial number found: 21596 
    4292 Duplicate atom serial number found: 21598 
    4293 Ignored bad PDB record found on line 78491 
    4294 ATOM 2159a OWS SOL W5820 89.431 -43.943 -77.651 1.00 0.00 O 
    4295  
    4296 Ignored bad PDB record found on line 78492 
    4297 ATOM 2159c HWS SOL W5820 89.098 -43.233 -77.102 1.00 0.00 H 
    4298  
    4299 Ignored bad PDB record found on line 78493 
    4300 ATOM 2159e HWS SOL W5820 88.797 -44.012 -78.364 1.00 0.00 H 
    4301  
    4302 Ignored bad PDB record found on line 78494 
    4303 ATOM 215a0 OWS SOL W5821 86.893 -28.673 -77.926 1.00 0.00 O 
    4304  
    4305 Ignored bad PDB record found on line 78495 
    4306 ATOM 215a2 HWS SOL W5821 86.119 -28.452 -78.444 1.00 0.00 H 
    4307  
    4308 46 messages similar to the above omitted 
    4309 Duplicate atom serial number found: 21600 
    4310 Duplicate atom serial number found: 21602 
    4311 Duplicate atom serial number found: 21604 
    4312 Duplicate atom serial number found: 21606 
    4313 Duplicate atom serial number found: 21608 
    4314 Ignored bad PDB record found on line 78547 
    4315 ATOM 2160a HWS SOL W5838 -77.892 -65.778 -63.004 1.00 0.00 H 
    4316  
    4317 Ignored bad PDB record found on line 78548 
    4318 ATOM 2160c OWS SOL W5839 -87.987 -21.131 -86.587 1.00 0.00 O 
    4319  
    4320 Ignored bad PDB record found on line 78549 
    4321 ATOM 2160e HWS SOL W5839 -87.244 -21.731 -86.659 1.00 0.00 H 
    4322  
    4323 Duplicate atom serial number found: 21610 
    4324 Duplicate atom serial number found: 21612 
    4325 Duplicate atom serial number found: 21614 
    4326 Duplicate atom serial number found: 21616 
    4327 Duplicate atom serial number found: 21618 
    4328 Ignored bad PDB record found on line 78555 
    4329 ATOM 2161a HWS SOL W5841 -71.407 -29.741 89.390 1.00 0.00 H 
    4330  
    4331 Ignored bad PDB record found on line 78556 
    4332 ATOM 2161c HWS SOL W5841 -72.108 -31.082 89.430 1.00 0.00 H 
    4333  
    4334 Ignored bad PDB record found on line 78557 
    4335 ATOM 2161e OWS SOL W5842 -87.921 -50.387 -69.979 1.00 0.00 O 
    4336  
    4337 Duplicate atom serial number found: 21620 
    4338 Duplicate atom serial number found: 21622 
    4339 Duplicate atom serial number found: 21624 
    4340 Duplicate atom serial number found: 21626 
    4341 Duplicate atom serial number found: 21628 
    4342 Ignored bad PDB record found on line 78563 
    4343 ATOM 2162a OWS SOL W5844 -66.642 -0.744 -78.700 1.00 0.00 O 
    4344  
    4345 Ignored bad PDB record found on line 78564 
    4346 ATOM 2162c HWS SOL W5844 -67.155 -0.430 -77.955 1.00 0.00 H 
    4347  
    4348 Ignored bad PDB record found on line 78565 
    4349 ATOM 2162e HWS SOL W5844 -66.413 0.048 -79.185 1.00 0.00 H 
    4350  
    4351 Duplicate atom serial number found: 21630 
    4352 Duplicate atom serial number found: 21632 
    4353 Duplicate atom serial number found: 21634 
    4354 Duplicate atom serial number found: 21636 
    4355 Duplicate atom serial number found: 21638 
    4356 Ignored bad PDB record found on line 78571 
    4357 ATOM 2163a HWS SOL W5846 -75.456 -14.620 -79.619 1.00 0.00 H 
    4358  
    4359 Ignored bad PDB record found on line 78572 
    4360 ATOM 2163c OWS SOL W5847 -63.980 -32.977 80.637 1.00 0.00 O 
    4361  
    4362 Ignored bad PDB record found on line 78573 
    4363 ATOM 2163e HWS SOL W5847 -63.559 -32.136 80.460 1.00 0.00 H 
    4364  
    4365 Duplicate atom serial number found: 21640 
    4366 Duplicate atom serial number found: 21642 
    4367 Duplicate atom serial number found: 21644 
    4368 Duplicate atom serial number found: 21646 
    4369 Duplicate atom serial number found: 21648 
    4370 Ignored bad PDB record found on line 78579 
    4371 ATOM 2164a HWS SOL W5849 -83.307 -32.372 -86.722 1.00 0.00 H 
    4372  
    4373 Ignored bad PDB record found on line 78580 
    4374 ATOM 2164c HWS SOL W5849 -82.846 -30.991 -86.306 1.00 0.00 H 
    4375  
    4376 Ignored bad PDB record found on line 78581 
    4377 ATOM 2164e OWS SOL W5850 -83.147 -26.737 -81.200 1.00 0.00 O 
    4378  
    4379 Duplicate atom serial number found: 21650 
    4380 Duplicate atom serial number found: 21652 
    4381 Duplicate atom serial number found: 21654 
    4382 Duplicate atom serial number found: 21656 
    4383 Duplicate atom serial number found: 21658 
    4384 Ignored bad PDB record found on line 78587 
    4385 ATOM 2165a OWS SOL W5852 -89.657 -13.039 86.887 1.00 0.00 O 
    4386  
    4387 Ignored bad PDB record found on line 78588 
    4388 ATOM 2165c HWS SOL W5852 -88.873 -12.607 87.226 1.00 0.00 H 
    4389  
    4390 Ignored bad PDB record found on line 78589 
    4391 ATOM 2165e HWS SOL W5852 -89.322 -13.752 86.343 1.00 0.00 H 
    4392  
    4393 Duplicate atom serial number found: 21660 
    4394 Duplicate atom serial number found: 21662 
    4395 Duplicate atom serial number found: 21664 
    4396 Duplicate atom serial number found: 21666 
    4397 Duplicate atom serial number found: 21668 
    4398 Ignored bad PDB record found on line 78595 
    4399 ATOM 2166a HWS SOL W5854 -84.451 -4.153 89.042 1.00 0.00 H 
    4400  
    4401 Ignored bad PDB record found on line 78596 
    4402 ATOM 2166c OWS SOL W5855 -61.957 -23.102 86.588 1.00 0.00 O 
    4403  
    4404 Ignored bad PDB record found on line 78597 
    4405 ATOM 2166e HWS SOL W5855 -61.190 -23.672 86.529 1.00 0.00 H 
    4406  
    4407 Duplicate atom serial number found: 21670 
    4408 Duplicate atom serial number found: 21672 
    4409 Duplicate atom serial number found: 21674 
    4410 Duplicate atom serial number found: 21676 
    4411 Duplicate atom serial number found: 21678 
    4412 Ignored bad PDB record found on line 78603 
    4413 ATOM 2167a HWS SOL W5857 -66.861 -31.599 -75.090 1.00 0.00 H 
    4414  
    4415 Ignored bad PDB record found on line 78604 
    4416 ATOM 2167c HWS SOL W5857 -66.802 -32.773 -76.043 1.00 0.00 H 
    4417  
    4418 Ignored bad PDB record found on line 78605 
    4419 ATOM 2167e OWS SOL W5858 -76.961 -6.793 -78.008 1.00 0.00 O 
    4420  
    4421 Duplicate atom serial number found: 21680 
    4422 Duplicate atom serial number found: 21682 
    4423 Duplicate atom serial number found: 21684 
    4424 Duplicate atom serial number found: 21686 
    4425 Duplicate atom serial number found: 21688 
    4426 Ignored bad PDB record found on line 78611 
    4427 ATOM 2168a OWS SOL W5860 -88.041 -40.010 -75.128 1.00 0.00 O 
    4428  
    4429 Ignored bad PDB record found on line 78612 
    4430 ATOM 2168c HWS SOL W5860 -88.409 -40.822 -75.477 1.00 0.00 H 
    4431  
    4432 Ignored bad PDB record found on line 78613 
    4433 ATOM 2168e HWS SOL W5860 -88.525 -39.316 -75.575 1.00 0.00 H 
    4434  
    4435 Duplicate atom serial number found: 21690 
    4436 Duplicate atom serial number found: 21692 
    4437 Duplicate atom serial number found: 21694 
    4438 Duplicate atom serial number found: 21696 
    4439 Duplicate atom serial number found: 21698 
    4440 Ignored bad PDB record found on line 78619 
    4441 ATOM 2169a HWS SOL W5862 -66.684 -15.612 85.318 1.00 0.00 H 
    4442  
    4443 Ignored bad PDB record found on line 78620 
    4444 ATOM 2169c OWS SOL W5863 85.971 -31.695 -55.348 1.00 0.00 O 
    4445  
    4446 Ignored bad PDB record found on line 78621 
    4447 ATOM 2169e HWS SOL W5863 85.076 -31.377 -55.224 1.00 0.00 H 
    4448  
    4449 Ignored bad PDB record found on line 78622 
    4450 ATOM 216a0 HWS SOL W5863 86.476 -30.910 -55.562 1.00 0.00 H 
    4451  
    4452 Ignored bad PDB record found on line 78623 
    4453 ATOM 216a2 OWS SOL W5864 79.862 -9.181 -88.965 1.00 0.00 O 
    4454  
    4455 46 messages similar to the above omitted 
    4456 Duplicate atom serial number found: 21700 
    4457 Duplicate atom serial number found: 21702 
    4458 Duplicate atom serial number found: 21704 
    4459 Duplicate atom serial number found: 21706 
    4460 Duplicate atom serial number found: 21708 
    4461 Ignored bad PDB record found on line 78675 
    4462 ATOM 2170a HWS SOL W5881 -76.884 -36.532 77.700 1.00 0.00 H 
    4463  
    4464 Ignored bad PDB record found on line 78676 
    4465 ATOM 2170c HWS SOL W5881 -76.496 -37.979 77.917 1.00 0.00 H 
    4466  
    4467 Ignored bad PDB record found on line 78677 
    4468 ATOM 2170e OWS SOL W5882 -89.048 -32.017 85.536 1.00 0.00 O 
    4469  
    4470 Duplicate atom serial number found: 21710 
    4471 Duplicate atom serial number found: 21712 
    4472 Duplicate atom serial number found: 21714 
    4473 Duplicate atom serial number found: 21716 
    4474 Duplicate atom serial number found: 21718 
    4475 Ignored bad PDB record found on line 78683 
    4476 ATOM 2171a OWS SOL W5884 -85.750 -16.967 -80.406 1.00 0.00 O 
    4477  
    4478 Ignored bad PDB record found on line 78684 
    4479 ATOM 2171c HWS SOL W5884 -86.086 -17.020 -79.511 1.00 0.00 H 
    4480  
    4481 Ignored bad PDB record found on line 78685 
    4482 ATOM 2171e HWS SOL W5884 -85.456 -17.856 -80.604 1.00 0.00 H 
    4483  
    4484 Duplicate atom serial number found: 21720 
    4485 Duplicate atom serial number found: 21722 
    4486 Duplicate atom serial number found: 21724 
    4487 Duplicate atom serial number found: 21726 
    4488 Duplicate atom serial number found: 21728 
    4489 Ignored bad PDB record found on line 78691 
    4490 ATOM 2172a HWS SOL W5886 -82.591 -18.412 -73.484 1.00 0.00 H 
    4491  
    4492 Ignored bad PDB record found on line 78692 
    4493 ATOM 2172c OWS SOL W5887 -77.729 -18.676 -50.666 1.00 0.00 O 
    4494  
    4495 Ignored bad PDB record found on line 78693 
    4496 ATOM 2172e HWS SOL W5887 -77.848 -19.209 -49.880 1.00 0.00 H 
    4497  
    4498 Duplicate atom serial number found: 21730 
    4499 Duplicate atom serial number found: 21732 
    4500 Duplicate atom serial number found: 21734 
    4501 Duplicate atom serial number found: 21736 
    4502 Duplicate atom serial number found: 21738 
    4503 Ignored bad PDB record found on line 78699 
    4504 ATOM 2173a HWS SOL W5889 -71.329 -38.577 -86.523 1.00 0.00 H 
    4505  
    4506 Ignored bad PDB record found on line 78700 
    4507 ATOM 2173c HWS SOL W5889 -71.951 -39.254 -85.320 1.00 0.00 H 
    4508  
    4509 Ignored bad PDB record found on line 78701 
    4510 ATOM 2173e OWS SOL W5890 -88.029 -8.348 -73.961 1.00 0.00 O 
    4511  
    4512 Duplicate atom serial number found: 21740 
    4513 Duplicate atom serial number found: 21742 
    4514 Duplicate atom serial number found: 21744 
    4515 Duplicate atom serial number found: 21746 
    4516 Duplicate atom serial number found: 21748 
    4517 Ignored bad PDB record found on line 78707 
    4518 ATOM 2174a OWS SOL W5892 -49.274 -25.288 -84.177 1.00 0.00 O 
    4519  
    4520 Ignored bad PDB record found on line 78708 
    4521 ATOM 2174c HWS SOL W5892 -48.340 -25.327 -84.387 1.00 0.00 H 
    4522  
    4523 Ignored bad PDB record found on line 78709 
    4524 ATOM 2174e HWS SOL W5892 -49.324 -25.551 -83.258 1.00 0.00 H 
    4525  
    4526 Duplicate atom serial number found: 21750 
    4527 Duplicate atom serial number found: 21752 
    4528 Duplicate atom serial number found: 21754 
    4529 Duplicate atom serial number found: 21756 
    4530 Duplicate atom serial number found: 21758 
    4531 Ignored bad PDB record found on line 78715 
    4532 ATOM 2175a HWS SOL W5894 77.915 -8.954 -86.848 1.00 0.00 H 
    4533  
    4534 Ignored bad PDB record found on line 78716 
    4535 ATOM 2175c OWS SOL W5895 -78.991 -26.872 -52.780 1.00 0.00 O 
    4536  
    4537 Ignored bad PDB record found on line 78717 
    4538 ATOM 2175e HWS SOL W5895 -79.174 -26.259 -52.068 1.00 0.00 H 
    4539  
    4540 Duplicate atom serial number found: 21760 
    4541 Duplicate atom serial number found: 21762 
    4542 Duplicate atom serial number found: 21764 
    4543 Duplicate atom serial number found: 21766 
    4544 Duplicate atom serial number found: 21768 
    4545 Ignored bad PDB record found on line 78723 
    4546 ATOM 2176a HWS SOL W5897 88.950 -28.173 -78.677 1.00 0.00 H 
    4547  
    4548 Ignored bad PDB record found on line 78724 
    4549 ATOM 2176c HWS SOL W5897 89.971 -29.272 -78.880 1.00 0.00 H 
    4550  
    4551 Ignored bad PDB record found on line 78725 
    4552 ATOM 2176e OWS SOL W5898 -85.417 -27.592 -79.659 1.00 0.00 O 
    4553  
    4554 Duplicate atom serial number found: 21770 
    4555 Duplicate atom serial number found: 21772 
    4556 Duplicate atom serial number found: 21774 
    4557 Duplicate atom serial number found: 21776 
    4558 Duplicate atom serial number found: 21778 
    4559 Ignored bad PDB record found on line 78731 
    4560 ATOM 2177a OWS SOL W5900 80.171 -42.907 -85.341 1.00 0.00 O 
    4561  
    4562 Ignored bad PDB record found on line 78732 
    4563 ATOM 2177c HWS SOL W5900 80.134 -42.306 -86.086 1.00 0.00 H 
    4564  
    4565 Ignored bad PDB record found on line 78733 
    4566 ATOM 2177e HWS SOL W5900 81.073 -42.846 -85.029 1.00 0.00 H 
    4567  
    4568 Duplicate atom serial number found: 21780 
    4569 Duplicate atom serial number found: 21782 
    4570 Duplicate atom serial number found: 21784 
    4571 Duplicate atom serial number found: 21786 
    4572 Duplicate atom serial number found: 21788 
    4573 Ignored bad PDB record found on line 78739 
    4574 ATOM 2178a HWS SOL W5902 87.205 -30.864 81.516 1.00 0.00 H 
    4575  
    4576 Ignored bad PDB record found on line 78740 
    4577 ATOM 2178c OWS SOL W5903 86.726 -27.808 -73.748 1.00 0.00 O 
    4578  
    4579 Ignored bad PDB record found on line 78741 
    4580 ATOM 2178e HWS SOL W5903 87.062 -27.737 -74.641 1.00 0.00 H 
    4581  
    4582 Duplicate atom serial number found: 21790 
    4583 Duplicate atom serial number found: 21792 
    4584 Duplicate atom serial number found: 21794 
    4585 Duplicate atom serial number found: 21796 
    4586 Duplicate atom serial number found: 21798 
    4587 Ignored bad PDB record found on line 78747 
    4588 ATOM 2179a HWS SOL W5905 -73.890 -6.938 -59.686 1.00 0.00 H 
    4589  
    4590 Ignored bad PDB record found on line 78748 
    4591 ATOM 2179c HWS SOL W5905 -74.058 -5.792 -58.712 1.00 0.00 H 
    4592  
    4593 Ignored bad PDB record found on line 78749 
    4594 ATOM 2179e OWS SOL W5906 83.140 -33.398 -84.044 1.00 0.00 O 
    4595  
    4596 Ignored bad PDB record found on line 78750 
    4597 ATOM 217a0 HWS SOL W5906 83.002 -34.058 -84.723 1.00 0.00 H 
    4598  
    4599 Ignored bad PDB record found on line 78751 
    4600 ATOM 217a2 HWS SOL W5906 83.194 -33.899 -83.230 1.00 0.00 H 
    4601  
    4602 46 messages similar to the above omitted 
    4603 Duplicate atom serial number found: 21800 
    4604 Duplicate atom serial number found: 21802 
    4605 Duplicate atom serial number found: 21804 
    4606 Duplicate atom serial number found: 21806 
    4607 Duplicate atom serial number found: 21808 
    4608 Ignored bad PDB record found on line 78803 
    4609 ATOM 2180a OWS SOL W5924 -71.756 -18.049 -82.500 1.00 0.00 O 
    4610  
    4611 Ignored bad PDB record found on line 78804 
    4612 ATOM 2180c HWS SOL W5924 -72.556 -17.761 -82.060 1.00 0.00 H 
    4613  
    4614 Ignored bad PDB record found on line 78805 
    4615 ATOM 2180e HWS SOL W5924 -71.278 -17.241 -82.684 1.00 0.00 H 
    4616  
    4617 Duplicate atom serial number found: 21810 
    4618 Duplicate atom serial number found: 21812 
    4619 Duplicate atom serial number found: 21814 
    4620 Duplicate atom serial number found: 21816 
    4621 Duplicate atom serial number found: 21818 
    4622 Ignored bad PDB record found on line 78811 
    4623 ATOM 2181a HWS SOL W5927 87.315 -23.818 -62.000 1.00 0.00 H 
    4624  
    4625 Ignored bad PDB record found on line 78812 
    4626 ATOM 2181c OWS SOL W5928 -68.198 -40.447 74.188 1.00 0.00 O 
    4627  
    4628 Ignored bad PDB record found on line 78813 
    4629 ATOM 2181e HWS SOL W5928 -68.419 -41.003 74.935 1.00 0.00 H 
    4630  
    4631 Duplicate atom serial number found: 21820 
    4632 Duplicate atom serial number found: 21822 
    4633 Duplicate atom serial number found: 21824 
    4634 Duplicate atom serial number found: 21826 
    4635 Duplicate atom serial number found: 21828 
    4636 Ignored bad PDB record found on line 78819 
    4637 ATOM 2182a HWS SOL W5930 88.676 -20.794 -78.542 1.00 0.00 H 
    4638  
    4639 Ignored bad PDB record found on line 78820 
    4640 ATOM 2182c HWS SOL W5930 87.385 -20.004 -78.509 1.00 0.00 H 
    4641  
    4642 Ignored bad PDB record found on line 78821 
    4643 ATOM 2182e OWS SOL W5931 -84.698 1.832 -67.113 1.00 0.00 O 
    4644  
    4645 Duplicate atom serial number found: 21830 
    4646 Duplicate atom serial number found: 21832 
    4647 Duplicate atom serial number found: 21834 
    4648 Duplicate atom serial number found: 21836 
    4649 Duplicate atom serial number found: 21838 
    4650 Ignored bad PDB record found on line 78827 
    4651 ATOM 2183a OWS SOL W5933 -75.475 -27.674 -58.651 1.00 0.00 O 
    4652  
    4653 Ignored bad PDB record found on line 78828 
    4654 ATOM 2183c HWS SOL W5933 -76.282 -28.010 -58.261 1.00 0.00 H 
    4655  
    4656 Ignored bad PDB record found on line 78829 
    4657 ATOM 2183e HWS SOL W5933 -74.793 -27.891 -58.015 1.00 0.00 H 
    4658  
    4659 Duplicate atom serial number found: 21840 
    4660 Duplicate atom serial number found: 21842 
    4661 Duplicate atom serial number found: 21844 
    4662 Duplicate atom serial number found: 21846 
    4663 Duplicate atom serial number found: 21848 
    4664 Ignored bad PDB record found on line 78835 
    4665 ATOM 2184a HWS SOL W5935 -74.503 -15.153 -72.361 1.00 0.00 H 
    4666  
    4667 Ignored bad PDB record found on line 78836 
    4668 ATOM 2184c OWS SOL W5936 -79.262 -13.664 -81.640 1.00 0.00 O 
    4669  
    4670 Ignored bad PDB record found on line 78837 
    4671 ATOM 2184e HWS SOL W5936 -80.125 -13.793 -82.032 1.00 0.00 H 
    4672  
    4673 Duplicate atom serial number found: 21850 
    4674 Duplicate atom serial number found: 21852 
    4675 Duplicate atom serial number found: 21854 
    4676 Duplicate atom serial number found: 21856 
    4677 Duplicate atom serial number found: 21858 
    4678 Ignored bad PDB record found on line 78843 
    4679 ATOM 2185a HWS SOL W5938 86.068 -40.745 -78.284 1.00 0.00 H 
    4680  
    4681 Ignored bad PDB record found on line 78844 
    4682 ATOM 2185c HWS SOL W5938 86.038 -39.525 -77.389 1.00 0.00 H 
    4683  
    4684 Ignored bad PDB record found on line 78845 
    4685 ATOM 2185e OWS SOL W5939 86.226 -11.073 -85.807 1.00 0.00 O 
    4686  
    4687 Duplicate atom serial number found: 21860 
    4688 Duplicate atom serial number found: 21862 
    4689 Duplicate atom serial number found: 21864 
    4690 Duplicate atom serial number found: 21866 
    4691 Duplicate atom serial number found: 21868 
    4692 Ignored bad PDB record found on line 78851 
    4693 ATOM 2186a OWS SOL W5941 -86.777 -33.481 -82.604 1.00 0.00 O 
    4694  
    4695 Ignored bad PDB record found on line 78852 
    4696 ATOM 2186c HWS SOL W5941 -86.964 -34.419 -82.641 1.00 0.00 H 
    4697  
    4698 Ignored bad PDB record found on line 78853 
    4699 ATOM 2186e HWS SOL W5941 -86.082 -33.350 -83.249 1.00 0.00 H 
    4700  
    4701 Duplicate atom serial number found: 21870 
    4702 Duplicate atom serial number found: 21872 
    4703 Duplicate atom serial number found: 21874 
    4704 Duplicate atom serial number found: 21876 
    4705 Duplicate atom serial number found: 21878 
    4706 Ignored bad PDB record found on line 78859 
    4707 ATOM 2187a HWS SOL W5943 87.979 -33.532 89.536 1.00 0.00 H 
    4708  
    4709 Ignored bad PDB record found on line 78860 
    4710 ATOM 2187c OWS SOL W5944 89.510 -18.150 -73.783 1.00 0.00 O 
    4711  
    4712 Ignored bad PDB record found on line 78861 
    4713 ATOM 2187e HWS SOL W5944 89.711 -17.215 -73.808 1.00 0.00 H 
    4714  
    4715 Duplicate atom serial number found: 21880 
    4716 Duplicate atom serial number found: 21882 
    4717 Duplicate atom serial number found: 21884 
    4718 Duplicate atom serial number found: 21886 
    4719 Duplicate atom serial number found: 21888 
    4720 Ignored bad PDB record found on line 78867 
    4721 ATOM 2188a HWS SOL W5946 -67.678 -8.619 -76.043 1.00 0.00 H 
    4722  
    4723 Ignored bad PDB record found on line 78868 
    4724 ATOM 2188c HWS SOL W5946 -66.482 -9.374 -76.583 1.00 0.00 H 
    4725  
    4726 Ignored bad PDB record found on line 78869 
    4727 ATOM 2188e OWS SOL W5947 -80.539 -3.022 79.361 1.00 0.00 O 
    4728  
    4729 Duplicate atom serial number found: 21890 
    4730 Duplicate atom serial number found: 21892 
    4731 Duplicate atom serial number found: 21894 
    4732 Duplicate atom serial number found: 21896 
    4733 Duplicate atom serial number found: 21898 
    4734 Ignored bad PDB record found on line 78875 
    4735 ATOM 2189a OWS SOL W5949 89.906 -54.610 -87.199 1.00 0.00 O 
    4736  
    4737 Ignored bad PDB record found on line 78876 
    4738 ATOM 2189c HWS SOL W5949 90.030 -54.027 -87.948 1.00 0.00 H 
    4739  
    4740 Ignored bad PDB record found on line 78877 
    4741 ATOM 2189e HWS SOL W5949 89.795 -55.478 -87.587 1.00 0.00 H 
    4742  
    4743 Ignored bad PDB record found on line 78878 
    4744 ATOM 218a0 OWS SOL W5950 80.023 -4.577 -65.666 1.00 0.00 O 
    4745  
    4746 Ignored bad PDB record found on line 78879 
    4747 ATOM 218a2 HWS SOL W5950 80.465 -5.283 -65.194 1.00 0.00 H 
    4748  
    4749 46 messages similar to the above omitted 
    4750 Duplicate atom serial number found: 21900 
    4751 Duplicate atom serial number found: 21902 
    4752 Duplicate atom serial number found: 21904 
    4753 Duplicate atom serial number found: 21906 
    4754 Duplicate atom serial number found: 21908 
    4755 Ignored bad PDB record found on line 78931 
    4756 ATOM 2190a HWS SOL W5967 -78.921 -14.142 -67.420 1.00 0.00 H 
    4757  
    4758 Ignored bad PDB record found on line 78932 
    4759 ATOM 2190c OWS SOL W5968 -58.494 -26.714 86.402 1.00 0.00 O 
    4760  
    4761 Ignored bad PDB record found on line 78933 
    4762 ATOM 2190e HWS SOL W5968 -57.716 -26.990 86.885 1.00 0.00 H 
    4763  
    4764 Duplicate atom serial number found: 21910 
    4765 Duplicate atom serial number found: 21912 
    4766 Duplicate atom serial number found: 21914 
    4767 Duplicate atom serial number found: 21916 
    4768 Duplicate atom serial number found: 21918 
    4769 Ignored bad PDB record found on line 78939 
    4770 ATOM 2191a HWS SOL W5970 80.363 -7.523 -86.896 1.00 0.00 H 
    4771  
    4772 Ignored bad PDB record found on line 78940 
    4773 ATOM 2191c HWS SOL W5970 80.236 -6.203 -86.165 1.00 0.00 H 
    4774  
    4775 Ignored bad PDB record found on line 78941 
    4776 ATOM 2191e OWS SOL W5971 -59.294 -28.799 -88.579 1.00 0.00 O 
    4777  
    4778 Duplicate atom serial number found: 21920 
    4779 Duplicate atom serial number found: 21922 
    4780 Duplicate atom serial number found: 21924 
    4781 Duplicate atom serial number found: 21926 
    4782 Duplicate atom serial number found: 21928 
    4783 Ignored bad PDB record found on line 78947 
    4784 ATOM 2192a OWS SOL W5973 -87.147 -21.195 -47.901 1.00 0.00 O 
    4785  
    4786 Ignored bad PDB record found on line 78948 
    4787 ATOM 2192c HWS SOL W5973 -88.045 -21.185 -48.234 1.00 0.00 H 
    4788  
    4789 Ignored bad PDB record found on line 78949 
    4790 ATOM 2192e HWS SOL W5973 -86.659 -20.640 -48.509 1.00 0.00 H 
    4791  
    4792 Duplicate atom serial number found: 21930 
    4793 Duplicate atom serial number found: 21932 
    4794 Duplicate atom serial number found: 21934 
    4795 Duplicate atom serial number found: 21936 
    4796 Duplicate atom serial number found: 21938 
    4797 Ignored bad PDB record found on line 78955 
    4798 ATOM 2193a HWS SOL W5975 -88.697 -24.581 84.640 1.00 0.00 H 
    4799  
    4800 Ignored bad PDB record found on line 78956 
    4801 ATOM 2193c OWS SOL W5976 82.070 -44.827 -74.479 1.00 0.00 O 
    4802  
    4803 Ignored bad PDB record found on line 78957 
    4804 ATOM 2193e HWS SOL W5976 81.756 -45.719 -74.624 1.00 0.00 H 
    4805  
    4806 Duplicate atom serial number found: 21940 
    4807 Duplicate atom serial number found: 21942 
    4808 Duplicate atom serial number found: 21944 
    4809 Duplicate atom serial number found: 21946 
    4810 Duplicate atom serial number found: 21948 
    4811 Ignored bad PDB record found on line 78963 
    4812 ATOM 2194a HWS SOL W5978 -89.601 -32.421 -56.612 1.00 0.00 H 
    4813  
    4814 Ignored bad PDB record found on line 78964 
    4815 ATOM 2194c HWS SOL W5978 -88.112 -32.175 -56.722 1.00 0.00 H 
    4816  
    4817 Ignored bad PDB record found on line 78965 
    4818 ATOM 2194e OWS SOL W5979 -79.984 -6.112 -69.634 1.00 0.00 O 
    4819  
    4820 Duplicate atom serial number found: 21950 
    4821 Duplicate atom serial number found: 21952 
    4822 Duplicate atom serial number found: 21954 
    4823 Duplicate atom serial number found: 21956 
    4824 Duplicate atom serial number found: 21958 
    4825 Ignored bad PDB record found on line 78971 
    4826 ATOM 2195a OWS SOL W5981 83.618 -26.884 -71.618 1.00 0.00 O 
    4827  
    4828 Ignored bad PDB record found on line 78972 
    4829 ATOM 2195c HWS SOL W5981 84.177 -27.004 -70.850 1.00 0.00 H 
    4830  
    4831 Ignored bad PDB record found on line 78973 
    4832 ATOM 2195e HWS SOL W5981 83.745 -25.969 -71.867 1.00 0.00 H 
    4833  
    4834 Duplicate atom serial number found: 21960 
    4835 Duplicate atom serial number found: 21962 
    4836 Duplicate atom serial number found: 21964 
    4837 Duplicate atom serial number found: 21966 
    4838 Duplicate atom serial number found: 21968 
    4839 Ignored bad PDB record found on line 78979 
    4840 ATOM 2196a HWS SOL W5983 -81.225 -24.096 -82.294 1.00 0.00 H 
    4841  
    4842 Ignored bad PDB record found on line 78980 
    4843 ATOM 2196c OWS SOL W5984 83.707 -32.741 -70.771 1.00 0.00 O 
    4844  
    4845 Ignored bad PDB record found on line 78981 
    4846 ATOM 2196e HWS SOL W5984 84.178 -31.978 -71.106 1.00 0.00 H 
    4847  
    4848 Duplicate atom serial number found: 21970 
    4849 Duplicate atom serial number found: 21972 
    4850 Duplicate atom serial number found: 21974 
    4851 Duplicate atom serial number found: 21976 
    4852 Duplicate atom serial number found: 21978 
    4853 Ignored bad PDB record found on line 78987 
    4854 ATOM 2197a HWS SOL W5987 -61.730 -45.408 77.368 1.00 0.00 H 
    4855  
    4856 Ignored bad PDB record found on line 78988 
    4857 ATOM 2197c HWS SOL W5987 -63.111 -46.003 77.188 1.00 0.00 H 
    4858  
    4859 Ignored bad PDB record found on line 78989 
    4860 ATOM 2197e OWS SOL W5988 -79.465 -49.523 86.831 1.00 0.00 O 
    4861  
    4862 Duplicate atom serial number found: 21980 
    4863 Duplicate atom serial number found: 21982 
    4864 Duplicate atom serial number found: 21984 
    4865 Duplicate atom serial number found: 21986 
    4866 Duplicate atom serial number found: 21988 
    4867 Ignored bad PDB record found on line 78995 
    4868 ATOM 2198a OWS SOL W5990 -71.922 -32.193 -77.880 1.00 0.00 O 
    4869  
    4870 Ignored bad PDB record found on line 78996 
    4871 ATOM 2198c HWS SOL W5990 -71.253 -32.781 -78.234 1.00 0.00 H 
    4872  
    4873 Ignored bad PDB record found on line 78997 
    4874 ATOM 2198e HWS SOL W5990 -71.429 -31.544 -77.378 1.00 0.00 H 
    4875  
    4876 Duplicate atom serial number found: 21990 
    4877 Duplicate atom serial number found: 21992 
    4878 Duplicate atom serial number found: 21994 
    4879 Duplicate atom serial number found: 21996 
    4880 Duplicate atom serial number found: 21998 
    4881 Ignored bad PDB record found on line 79003 
    4882 ATOM 2199a HWS SOL W5992 -75.446 -11.463 -82.973 1.00 0.00 H 
    4883  
    4884 Ignored bad PDB record found on line 79004 
    4885 ATOM 2199c OWS SOL W5993 -72.294 -25.289 -74.459 1.00 0.00 O 
    4886  
    4887 Ignored bad PDB record found on line 79005 
    4888 ATOM 2199e HWS SOL W5993 -72.786 -24.510 -74.201 1.00 0.00 H 
    4889  
    4890 Ignored bad PDB record found on line 79006 
    4891 ATOM 219a0 HWS SOL W5993 -72.404 -25.340 -75.408 1.00 0.00 H 
    4892  
    4893 Ignored bad PDB record found on line 79007 
    4894 ATOM 219a2 OWS SOL W5994 -85.245 -12.417 -67.207 1.00 0.00 O 
    4895  
    4896 814 messages similar to the above omitted 
    4897 Duplicate atom serial number found: 22000 
    4898 Duplicate atom serial number found: 22002 
    4899 Duplicate atom serial number found: 22004 
    4900 Duplicate atom serial number found: 22006 
    4901 Duplicate atom serial number found: 22008 
    4902 Ignored bad PDB record found on line 79827 
    4903 ATOM 2200a HWS SOL W6268 -81.867 -21.642 -68.077 1.00 0.00 H 
    4904  
    4905 Ignored bad PDB record found on line 79828 
    4906 ATOM 2200c HWS SOL W6268 -83.339 -21.990 -68.136 1.00 0.00 H 
    4907  
    4908 Ignored bad PDB record found on line 79829 
    4909 ATOM 2200e OWS SOL W6269 -86.533 -28.096 -56.656 1.00 0.00 O 
    4910  
    4911 Duplicate atom serial number found: 22010 
    4912 Duplicate atom serial number found: 22012 
    4913 Duplicate atom serial number found: 22014 
    4914 Duplicate atom serial number found: 22016 
    4915 Duplicate atom serial number found: 22018 
    4916 Ignored bad PDB record found on line 79835 
    4917 ATOM 2201a OWS SOL W6271 -81.920 -50.418 -59.938 1.00 0.00 O 
    4918  
    4919 Ignored bad PDB record found on line 79836 
    4920 ATOM 2201c HWS SOL W6271 -81.274 -50.825 -60.515 1.00 0.00 H 
    4921  
    4922 Ignored bad PDB record found on line 79837 
    4923 ATOM 2201e HWS SOL W6271 -82.414 -51.153 -59.574 1.00 0.00 H 
    4924  
    4925 Duplicate atom serial number found: 22020 
    4926 Duplicate atom serial number found: 22022 
    4927 Duplicate atom serial number found: 22024 
    4928 Duplicate atom serial number found: 22026 
    4929 Duplicate atom serial number found: 22028 
    4930 Ignored bad PDB record found on line 79843 
    4931 ATOM 2202a HWS SOL W6273 -71.860 0.886 -48.533 1.00 0.00 H 
    4932  
    4933 Ignored bad PDB record found on line 79844 
    4934 ATOM 2202c OWS SOL W6274 88.576 -27.479 -43.211 1.00 0.00 O 
    4935  
    4936 Ignored bad PDB record found on line 79845 
    4937 ATOM 2202e HWS SOL W6274 89.154 -28.232 -43.085 1.00 0.00 H 
    4938  
    4939 Duplicate atom serial number found: 22030 
    4940 Duplicate atom serial number found: 22032 
    4941 Duplicate atom serial number found: 22034 
    4942 Duplicate atom serial number found: 22036 
    4943 Duplicate atom serial number found: 22038 
    4944 Ignored bad PDB record found on line 79851 
    4945 ATOM 2203a HWS SOL W6276 -68.292 -10.774 -51.779 1.00 0.00 H 
    4946  
    4947 Ignored bad PDB record found on line 79852 
    4948 ATOM 2203c HWS SOL W6276 -69.325 -11.691 -51.160 1.00 0.00 H 
    4949  
    4950 Ignored bad PDB record found on line 79853 
    4951 ATOM 2203e OWS SOL W6277 88.296 -30.274 -58.704 1.00 0.00 O 
    4952  
    4953 Duplicate atom serial number found: 22040 
    4954 Duplicate atom serial number found: 22042 
    4955 Duplicate atom serial number found: 22044 
    4956 Duplicate atom serial number found: 22046 
    4957 Duplicate atom serial number found: 22048 
    4958 Ignored bad PDB record found on line 79859 
    4959 ATOM 2204a OWS SOL W6279 -89.200 -16.215 -63.339 1.00 0.00 O 
    4960  
    4961 Ignored bad PDB record found on line 79860 
    4962 ATOM 2204c HWS SOL W6279 -88.682 -16.231 -64.144 1.00 0.00 H 
    4963  
    4964 Ignored bad PDB record found on line 79861 
    4965 ATOM 2204e HWS SOL W6279 -88.579 -15.953 -62.659 1.00 0.00 H 
    4966  
    4967 Duplicate atom serial number found: 22050 
    4968 Duplicate atom serial number found: 22052 
    4969 Duplicate atom serial number found: 22054 
    4970 Duplicate atom serial number found: 22056 
    4971 Duplicate atom serial number found: 22058 
    4972 Ignored bad PDB record found on line 79867 
    4973 ATOM 2205a HWS SOL W6281 -72.243 -45.885 -60.140 1.00 0.00 H 
    4974  
    4975 Ignored bad PDB record found on line 79868 
    4976 ATOM 2205c OWS SOL W6282 -83.754 -10.094 -35.059 1.00 0.00 O 
    4977  
    4978 Ignored bad PDB record found on line 79869 
    4979 ATOM 2205e HWS SOL W6282 -84.593 -10.386 -35.417 1.00 0.00 H 
    4980  
    4981 Duplicate atom serial number found: 22060 
    4982 Duplicate atom serial number found: 22062 
    4983 Duplicate atom serial number found: 22064 
    4984 Duplicate atom serial number found: 22066 
    4985 Duplicate atom serial number found: 22068 
    4986 Ignored bad PDB record found on line 79875 
    4987 ATOM 2206a HWS SOL W6284 -88.838 -35.109 -71.546 1.00 0.00 H 
    4988  
    4989 Ignored bad PDB record found on line 79876 
    4990 ATOM 2206c HWS SOL W6284 -87.670 -34.232 -71.943 1.00 0.00 H 
    4991  
    4992 Ignored bad PDB record found on line 79877 
    4993 ATOM 2206e OWS SOL W6285 -85.752 -43.691 -30.713 1.00 0.00 O 
    4994  
    4995 Duplicate atom serial number found: 22070 
    4996 Duplicate atom serial number found: 22072 
    4997 Duplicate atom serial number found: 22074 
    4998 Duplicate atom serial number found: 22076 
    4999 Duplicate atom serial number found: 22078 
    5000 Ignored bad PDB record found on line 79883 
    5001 ATOM 2207a OWS SOL W6287 88.962 -42.081 -44.754 1.00 0.00 O 
    5002  
    5003 Ignored bad PDB record found on line 79884 
    5004 ATOM 2207c HWS SOL W6287 89.856 -42.394 -44.889 1.00 0.00 H 
    5005  
    5006 Ignored bad PDB record found on line 79885 
    5007 ATOM 2207e HWS SOL W6287 88.854 -41.379 -45.397 1.00 0.00 H 
    5008  
    5009 Duplicate atom serial number found: 22080 
    5010 Duplicate atom serial number found: 22082 
    5011 Duplicate atom serial number found: 22084 
    5012 Duplicate atom serial number found: 22086 
    5013 Duplicate atom serial number found: 22088 
    5014 Ignored bad PDB record found on line 79891 
    5015 ATOM 2208a HWS SOL W6289 -78.432 -27.614 -37.470 1.00 0.00 H 
    5016  
    5017 Ignored bad PDB record found on line 79892 
    5018 ATOM 2208c OWS SOL W6290 -84.992 2.779 -60.836 1.00 0.00 O 
    5019  
    5020 Ignored bad PDB record found on line 79893 
    5021 ATOM 2208e HWS SOL W6290 -85.526 2.679 -60.049 1.00 0.00 H 
    5022  
    5023 Duplicate atom serial number found: 22090 
    5024 Duplicate atom serial number found: 22092 
    5025 Duplicate atom serial number found: 22094 
    5026 Duplicate atom serial number found: 22096 
    5027 Duplicate atom serial number found: 22098 
    5028 Ignored bad PDB record found on line 79899 
    5029 ATOM 2209a HWS SOL W6292 -66.188 -21.617 -57.398 1.00 0.00 H 
    5030  
    5031 Ignored bad PDB record found on line 79900 
    5032 ATOM 2209c HWS SOL W6292 -66.526 -20.238 -57.925 1.00 0.00 H 
    5033  
    5034 Ignored bad PDB record found on line 79901 
    5035 ATOM 2209e OWS SOL W6293 79.632 -24.643 -60.917 1.00 0.00 O 
    5036  
    5037 Ignored bad PDB record found on line 79902 
    5038 ATOM 220a0 HWS SOL W6293 79.168 -24.075 -61.533 1.00 0.00 H 
    5039  
    5040 Ignored bad PDB record found on line 79903 
    5041 ATOM 220a2 HWS SOL W6293 78.937 -25.077 -60.422 1.00 0.00 H 
    5042  
    5043 46 messages similar to the above omitted 
    5044 Duplicate atom serial number found: 22100 
    5045 Duplicate atom serial number found: 22102 
    5046 Duplicate atom serial number found: 22104 
    5047 Duplicate atom serial number found: 22106 
    5048 Duplicate atom serial number found: 22108 
    5049 Ignored bad PDB record found on line 79955 
    5050 ATOM 2210a OWS SOL W6311 -68.436 -42.603 -61.391 1.00 0.00 O 
    5051  
    5052 Ignored bad PDB record found on line 79956 
    5053 ATOM 2210c HWS SOL W6311 -68.075 -42.752 -60.518 1.00 0.00 H 
    5054  
    5055 Ignored bad PDB record found on line 79957 
    5056 ATOM 2210e HWS SOL W6311 -67.734 -42.861 -61.989 1.00 0.00 H 
    5057  
    5058 Duplicate atom serial number found: 22110 
    5059 Duplicate atom serial number found: 22112 
    5060 Duplicate atom serial number found: 22114 
    5061 Duplicate atom serial number found: 22116 
    5062 Duplicate atom serial number found: 22118 
    5063 Ignored bad PDB record found on line 79963 
    5064 ATOM 2211a HWS SOL W6313 84.629 -36.323 -63.729 1.00 0.00 H 
    5065  
    5066 Ignored bad PDB record found on line 79964 
    5067 ATOM 2211c OWS SOL W6314 -66.363 -42.409 -44.990 1.00 0.00 O 
    5068  
    5069 Ignored bad PDB record found on line 79965 
    5070 ATOM 2211e HWS SOL W6314 -65.628 -42.286 -45.591 1.00 0.00 H 
    5071  
    5072 Duplicate atom serial number found: 22120 
    5073 Duplicate atom serial number found: 22122 
    5074 Duplicate atom serial number found: 22124 
    5075 Duplicate atom serial number found: 22126 
    5076 Duplicate atom serial number found: 22128 
    5077 Ignored bad PDB record found on line 79971 
    5078 ATOM 2212a HWS SOL W6316 86.420 -44.923 -63.488 1.00 0.00 H 
    5079  
    5080 Ignored bad PDB record found on line 79972 
    5081 ATOM 2212c HWS SOL W6316 85.379 -43.851 -63.245 1.00 0.00 H 
    5082  
    5083 Ignored bad PDB record found on line 79973 
    5084 ATOM 2212e OWS SOL W6317 -83.173 -12.269 -43.921 1.00 0.00 O 
    5085  
    5086 Duplicate atom serial number found: 22130 
    5087 Duplicate atom serial number found: 22132 
    5088 Duplicate atom serial number found: 22134 
    5089 Duplicate atom serial number found: 22136 
    5090 Duplicate atom serial number found: 22138 
    5091 Ignored bad PDB record found on line 79979 
    5092 ATOM 2213a OWS SOL W6319 -61.512 -0.370 -67.871 1.00 0.00 O 
    5093  
    5094 Ignored bad PDB record found on line 79980 
    5095 ATOM 2213c HWS SOL W6319 -61.170 0.098 -68.633 1.00 0.00 H 
    5096  
    5097 Ignored bad PDB record found on line 79981 
    5098 ATOM 2213e HWS SOL W6319 -62.463 -0.314 -67.962 1.00 0.00 H 
    5099  
    5100 Duplicate atom serial number found: 22140 
    5101 Duplicate atom serial number found: 22142 
    5102 Duplicate atom serial number found: 22144 
    5103 Duplicate atom serial number found: 22146 
    5104 Duplicate atom serial number found: 22148 
    5105 Ignored bad PDB record found on line 79987 
    5106 ATOM 2214a HWS SOL W6321 -43.003 -67.306 -50.195 1.00 0.00 H 
    5107  
    5108 Ignored bad PDB record found on line 79988 
    5109 ATOM 2214c OWS SOL W6322 -77.434 -42.670 -65.919 1.00 0.00 O 
    5110  
    5111 Ignored bad PDB record found on line 79989 
    5112 ATOM 2214e HWS SOL W6322 -76.549 -42.313 -65.856 1.00 0.00 H 
    5113  
    5114 Duplicate atom serial number found: 22150 
    5115 Duplicate atom serial number found: 22152 
    5116 Duplicate atom serial number found: 22154 
    5117 Duplicate atom serial number found: 22156 
    5118 Duplicate atom serial number found: 22158 
    5119 Ignored bad PDB record found on line 79995 
    5120 ATOM 2215a HWS SOL W6324 -75.176 -37.797 -68.816 1.00 0.00 H 
    5121  
    5122 Ignored bad PDB record found on line 79996 
    5123 ATOM 2215c HWS SOL W6324 -75.161 -36.331 -69.193 1.00 0.00 H 
    5124  
    5125 Ignored bad PDB record found on line 79997 
    5126 ATOM 2215e OWS SOL W6325 -76.860 -1.208 -32.221 1.00 0.00 O 
    5127  
    5128 Duplicate atom serial number found: 22160 
    5129 Duplicate atom serial number found: 22162 
    5130 Duplicate atom serial number found: 22164 
    5131 Duplicate atom serial number found: 22166 
    5132 Duplicate atom serial number found: 22168 
    5133 Ignored bad PDB record found on line 80003 
    5134 ATOM 2216a OWS SOL W6327 -77.746 -7.562 -40.829 1.00 0.00 O 
    5135  
    5136 Ignored bad PDB record found on line 80004 
    5137 ATOM 2216c HWS SOL W6327 -78.376 -6.933 -41.180 1.00 0.00 H 
    5138  
    5139 Ignored bad PDB record found on line 80005 
    5140 ATOM 2216e HWS SOL W6327 -76.941 -7.397 -41.321 1.00 0.00 H 
    5141  
    5142 Duplicate atom serial number found: 22170 
    5143 Duplicate atom serial number found: 22172 
    5144 Duplicate atom serial number found: 22174 
    5145 Duplicate atom serial number found: 22176 
    5146 Duplicate atom serial number found: 22178 
    5147 Ignored bad PDB record found on line 80011 
    5148 ATOM 2217a HWS SOL W6329 -75.435 -38.161 -57.422 1.00 0.00 H 
    5149  
    5150 Ignored bad PDB record found on line 80012 
    5151 ATOM 2217c OWS SOL W6330 -73.173 -31.133 -72.331 1.00 0.00 O 
    5152  
    5153 Ignored bad PDB record found on line 80013 
    5154 ATOM 2217e HWS SOL W6330 -73.750 -30.576 -72.853 1.00 0.00 H 
    5155  
    5156 Duplicate atom serial number found: 22180 
    5157 Duplicate atom serial number found: 22182 
    5158 Duplicate atom serial number found: 22184 
    5159 Duplicate atom serial number found: 22186 
    5160 Duplicate atom serial number found: 22188 
    5161 Ignored bad PDB record found on line 80019 
    5162 ATOM 2218a HWS SOL W6332 -57.616 -27.751 -57.836 1.00 0.00 H 
    5163  
    5164 Ignored bad PDB record found on line 80020 
    5165 ATOM 2218c HWS SOL W6332 -57.160 -29.059 -57.225 1.00 0.00 H 
    5166  
    5167 Ignored bad PDB record found on line 80021 
    5168 ATOM 2218e OWS SOL W6333 85.571 -22.760 -55.755 1.00 0.00 O 
    5169  
    5170 Duplicate atom serial number found: 22190 
    5171 Duplicate atom serial number found: 22192 
    5172 Duplicate atom serial number found: 22194 
    5173 Duplicate atom serial number found: 22196 
    5174 Duplicate atom serial number found: 22198 
    5175 Ignored bad PDB record found on line 80027 
    5176 ATOM 2219a OWS SOL W6335 -85.592 -1.442 -64.780 1.00 0.00 O 
    5177  
    5178 Ignored bad PDB record found on line 80028 
    5179 ATOM 2219c HWS SOL W6335 -84.957 -1.326 -64.072 1.00 0.00 H 
    5180  
    5181 Ignored bad PDB record found on line 80029 
    5182 ATOM 2219e HWS SOL W6335 -86.373 -1.787 -64.347 1.00 0.00 H 
    5183  
    5184 Ignored bad PDB record found on line 80030 
    5185 ATOM 221a0 OWS SOL W6336 -83.328 -33.567 -47.578 1.00 0.00 O 
    5186  
    5187 Ignored bad PDB record found on line 80031 
    5188 ATOM 221a2 HWS SOL W6336 -82.568 -34.088 -47.320 1.00 0.00 H 
    5189  
    5190 46 messages similar to the above omitted 
    5191 Duplicate atom serial number found: 22200 
    5192 Duplicate atom serial number found: 22202 
    5193 Duplicate atom serial number found: 22204 
    5194 Duplicate atom serial number found: 22206 
    5195 Duplicate atom serial number found: 22208 
    5196 Ignored bad PDB record found on line 80083 
    5197 ATOM 2220a HWS SOL W6353 -82.631 -19.122 -66.008 1.00 0.00 H 
    5198  
    5199 Ignored bad PDB record found on line 80084 
    5200 ATOM 2220c OWS SOL W6354 -66.139 -31.461 -70.804 1.00 0.00 O 
    5201  
    5202 Ignored bad PDB record found on line 80085 
    5203 ATOM 2220e HWS SOL W6354 -65.402 -31.919 -70.399 1.00 0.00 H 
    5204  
    5205 Duplicate atom serial number found: 22210 
    5206 Duplicate atom serial number found: 22212 
    5207 Duplicate atom serial number found: 22214 
    5208 Duplicate atom serial number found: 22216 
    5209 Duplicate atom serial number found: 22218 
    5210 Ignored bad PDB record found on line 80091 
    5211 ATOM 2221a HWS SOL W6356 77.936 -23.061 -47.142 1.00 0.00 H 
    5212  
    5213 Ignored bad PDB record found on line 80092 
    5214 ATOM 2221c HWS SOL W6356 78.245 -21.587 -47.293 1.00 0.00 H 
    5215  
    5216 Ignored bad PDB record found on line 80093 
    5217 ATOM 2221e OWS SOL W6357 79.164 -18.554 -59.611 1.00 0.00 O 
    5218  
    5219 Duplicate atom serial number found: 22220 
    5220 Duplicate atom serial number found: 22222 
    5221 Duplicate atom serial number found: 22224 
    5222 Duplicate atom serial number found: 22226 
    5223 Duplicate atom serial number found: 22228 
    5224 Ignored bad PDB record found on line 80099 
    5225 ATOM 2222a OWS SOL W6359 76.888 -31.444 -68.439 1.00 0.00 O 
    5226  
    5227 Ignored bad PDB record found on line 80100 
    5228 ATOM 2222c HWS SOL W6359 76.264 -31.438 -69.164 1.00 0.00 H 
    5229  
    5230 Ignored bad PDB record found on line 80101 
    5231 ATOM 2222e HWS SOL W6359 77.483 -30.718 -68.628 1.00 0.00 H 
    5232  
    5233 Duplicate atom serial number found: 22230 
    5234 Duplicate atom serial number found: 22232 
    5235 Duplicate atom serial number found: 22234 
    5236 Duplicate atom serial number found: 22236 
    5237 Duplicate atom serial number found: 22238 
    5238 Ignored bad PDB record found on line 80107 
    5239 ATOM 2223a HWS SOL W6361 82.477 -19.968 -54.505 1.00 0.00 H 
    5240  
    5241 Ignored bad PDB record found on line 80108 
    5242 ATOM 2223c OWS SOL W6362 -86.679 -13.380 -50.083 1.00 0.00 O 
    5243  
    5244 Ignored bad PDB record found on line 80109 
    5245 ATOM 2223e HWS SOL W6362 -87.055 -13.151 -49.233 1.00 0.00 H 
    5246  
    5247 Duplicate atom serial number found: 22240 
    5248 Duplicate atom serial number found: 22242 
    5249 Duplicate atom serial number found: 22244 
    5250 Duplicate atom serial number found: 22246 
    5251 Duplicate atom serial number found: 22248 
    5252 Ignored bad PDB record found on line 80115 
    5253 ATOM 2224a HWS SOL W6364 87.771 -25.508 -50.338 1.00 0.00 H 
    5254  
    5255 Ignored bad PDB record found on line 80116 
    5256 ATOM 2224c HWS SOL W6364 87.651 -24.672 -51.595 1.00 0.00 H 
    5257  
    5258 Ignored bad PDB record found on line 80117 
    5259 ATOM 2224e OWS SOL W6365 -84.422 -5.852 -52.378 1.00 0.00 O 
    5260  
    5261 Duplicate atom serial number found: 22250 
    5262 Duplicate atom serial number found: 22252 
    5263 Duplicate atom serial number found: 22254 
    5264 Duplicate atom serial number found: 22256 
    5265 Duplicate atom serial number found: 22258 
    5266 Ignored bad PDB record found on line 80123 
    5267 ATOM 2225a OWS SOL W6367 -69.823 -26.731 -74.433 1.00 0.00 O 
    5268  
    5269 Ignored bad PDB record found on line 80124 
    5270 ATOM 2225c HWS SOL W6367 -70.572 -26.157 -74.274 1.00 0.00 H 
    5271  
    5272 Ignored bad PDB record found on line 80125 
    5273 ATOM 2225e HWS SOL W6367 -70.191 -27.615 -74.419 1.00 0.00 H 
    5274  
    5275 Duplicate atom serial number found: 22260 
    5276 Duplicate atom serial number found: 22262 
    5277 Duplicate atom serial number found: 22264 
    5278 Duplicate atom serial number found: 22266 
    5279 Duplicate atom serial number found: 22268 
    5280 Ignored bad PDB record found on line 80131 
    5281 ATOM 2226a HWS SOL W6369 -62.784 -17.192 -54.225 1.00 0.00 H 
    5282  
    5283 Ignored bad PDB record found on line 80132 
    5284 ATOM 2226c OWS SOL W6370 -64.252 -5.571 -27.279 1.00 0.00 O 
    5285  
    5286 Ignored bad PDB record found on line 80133 
    5287 ATOM 2226e HWS SOL W6370 -64.492 -5.829 -28.169 1.00 0.00 H 
    5288  
    5289 Duplicate atom serial number found: 22270 
    5290 Duplicate atom serial number found: 22272 
    5291 Duplicate atom serial number found: 22274 
    5292 Duplicate atom serial number found: 22276 
    5293 Duplicate atom serial number found: 22278 
    5294 Ignored bad PDB record found on line 80139 
    5295 ATOM 2227a HWS SOL W6372 -79.211 -43.562 -77.017 1.00 0.00 H 
    5296  
    5297 Ignored bad PDB record found on line 80140 
    5298 ATOM 2227c HWS SOL W6372 -79.524 -44.227 -75.693 1.00 0.00 H 
    5299  
    5300 Ignored bad PDB record found on line 80141 
    5301 ATOM 2227e OWS SOL W6373 -82.020 -17.550 -51.443 1.00 0.00 O 
    5302  
    5303 Duplicate atom serial number found: 22280 
    5304 Duplicate atom serial number found: 22282 
    5305 Duplicate atom serial number found: 22284 
    5306 Duplicate atom serial number found: 22286 
    5307 Duplicate atom serial number found: 22288 
    5308 Ignored bad PDB record found on line 80147 
    5309 ATOM 2228a OWS SOL W6375 -90.051 -9.039 -63.769 1.00 0.00 O 
    5310  
    5311 Ignored bad PDB record found on line 80148 
    5312 ATOM 2228c HWS SOL W6375 -89.748 -8.417 -63.107 1.00 0.00 H 
    5313  
    5314 Ignored bad PDB record found on line 80149 
    5315 ATOM 2228e HWS SOL W6375 -89.285 -9.581 -63.959 1.00 0.00 H 
    5316  
    5317 Duplicate atom serial number found: 22290 
    5318 Duplicate atom serial number found: 22292 
    5319 Duplicate atom serial number found: 22294 
    5320 Duplicate atom serial number found: 22296 
    5321 Duplicate atom serial number found: 22298 
    5322 Ignored bad PDB record found on line 80155 
    5323 ATOM 2229a HWS SOL W6377 87.113 -38.531 -41.739 1.00 0.00 H 
    5324  
    5325 Ignored bad PDB record found on line 80156 
    5326 ATOM 2229c OWS SOL W6378 -68.407 -17.243 -64.848 1.00 0.00 O 
    5327  
    5328 Ignored bad PDB record found on line 80157 
    5329 ATOM 2229e HWS SOL W6378 -68.958 -17.232 -64.066 1.00 0.00 H 
    5330  
    5331 Ignored bad PDB record found on line 80158 
    5332 ATOM 222a0 HWS SOL W6378 -68.970 -17.606 -65.533 1.00 0.00 H 
    5333  
    5334 Ignored bad PDB record found on line 80159 
    5335 ATOM 222a2 OWS SOL W6379 -66.813 -26.776 -35.469 1.00 0.00 O 
    5336  
    5337 46 messages similar to the above omitted 
    5338 Duplicate atom serial number found: 22300 
    5339 Duplicate atom serial number found: 22302 
    5340 Duplicate atom serial number found: 22304 
    5341 Duplicate atom serial number found: 22306 
    5342 Duplicate atom serial number found: 22308 
    5343 Ignored bad PDB record found on line 80211 
    5344 ATOM 2230a HWS SOL W6397 -60.382 -43.239 -25.341 1.00 0.00 H 
    5345  
    5346 Ignored bad PDB record found on line 80212 
    5347 ATOM 2230c HWS SOL W6397 -61.144 -42.966 -24.061 1.00 0.00 H 
    5348  
    5349 Ignored bad PDB record found on line 80213 
    5350 ATOM 2230e OWS SOL W6398 -65.544 -30.086 -77.983 1.00 0.00 O 
    5351  
    5352 Duplicate atom serial number found: 22310 
    5353 Duplicate atom serial number found: 22312 
    5354 Duplicate atom serial number found: 22314 
    5355 Duplicate atom serial number found: 22316 
    5356 Duplicate atom serial number found: 22318 
    5357 Ignored bad PDB record found on line 80219 
    5358 ATOM 2231a OWS SOL W6400 -64.731 -17.957 -54.301 1.00 0.00 O 
    5359  
    5360 Ignored bad PDB record found on line 80220 
    5361 ATOM 2231c HWS SOL W6400 -65.253 -18.746 -54.451 1.00 0.00 H 
    5362  
    5363 Ignored bad PDB record found on line 80221 
    5364 ATOM 2231e HWS SOL W6400 -64.966 -17.678 -53.416 1.00 0.00 H 
    5365  
    5366 Duplicate atom serial number found: 22320 
    5367 Duplicate atom serial number found: 22322 
    5368 Duplicate atom serial number found: 22324 
    5369 Duplicate atom serial number found: 22326 
    5370 Duplicate atom serial number found: 22328 
    5371 Ignored bad PDB record found on line 80227 
    5372 ATOM 2232a HWS SOL W6402 -82.515 -38.553 -67.336 1.00 0.00 H 
    5373  
    5374 Ignored bad PDB record found on line 80228 
    5375 ATOM 2232c OWS SOL W6403 86.673 -19.135 -33.292 1.00 0.00 O 
    5376  
    5377 Ignored bad PDB record found on line 80229 
    5378 ATOM 2232e HWS SOL W6403 86.512 -20.070 -33.167 1.00 0.00 H 
    5379  
    5380 Duplicate atom serial number found: 22330 
    5381 Duplicate atom serial number found: 22332 
    5382 Duplicate atom serial number found: 22334 
    5383 Duplicate atom serial number found: 22336 
    5384 Duplicate atom serial number found: 22338 
    5385 Ignored bad PDB record found on line 80235 
    5386 ATOM 2233a HWS SOL W6405 -79.347 -19.547 -43.288 1.00 0.00 H 
    5387  
    5388 Ignored bad PDB record found on line 80236 
    5389 ATOM 2233c HWS SOL W6405 -78.640 -18.372 -43.930 1.00 0.00 H 
    5390  
    5391 Ignored bad PDB record found on line 80237 
    5392 ATOM 2233e OWS SOL W6406 -73.372 -21.974 -68.265 1.00 0.00 O 
    5393  
    5394 Duplicate atom serial number found: 22340 
    5395 Duplicate atom serial number found: 22342 
    5396 Duplicate atom serial number found: 22344 
    5397 Duplicate atom serial number found: 22346 
    5398 Duplicate atom serial number found: 22348 
    5399 Ignored bad PDB record found on line 80243 
    5400 ATOM 2234a OWS SOL W6408 -83.817 -24.562 -72.512 1.00 0.00 O 
    5401  
    5402 Ignored bad PDB record found on line 80244 
    5403 ATOM 2234c HWS SOL W6408 -84.554 -24.841 -73.055 1.00 0.00 H 
    5404  
    5405 Ignored bad PDB record found on line 80245 
    5406 ATOM 2234e HWS SOL W6408 -83.641 -23.663 -72.789 1.00 0.00 H 
    5407  
    5408 Duplicate atom serial number found: 22350 
    5409 Duplicate atom serial number found: 22352 
    5410 Duplicate atom serial number found: 22354 
    5411 Duplicate atom serial number found: 22356 
    5412 Duplicate atom serial number found: 22358 
    5413 Ignored bad PDB record found on line 80251 
    5414 ATOM 2235a HWS SOL W6410 -79.355 -31.825 -52.117 1.00 0.00 H 
    5415  
    5416 Ignored bad PDB record found on line 80252 
    5417 ATOM 2235c OWS SOL W6411 -73.226 -5.272 -53.509 1.00 0.00 O 
    5418  
    5419 Ignored bad PDB record found on line 80253 
    5420 ATOM 2235e HWS SOL W6411 -72.339 -4.914 -53.479 1.00 0.00 H 
    5421  
    5422 Duplicate atom serial number found: 22360 
    5423 Duplicate atom serial number found: 22362 
    5424 Duplicate atom serial number found: 22364 
    5425 Duplicate atom serial number found: 22366 
    5426 Duplicate atom serial number found: 22368 
    5427 Ignored bad PDB record found on line 80259 
    5428 ATOM 2236a HWS SOL W6413 88.395 -18.267 -55.826 1.00 0.00 H 
    5429  
    5430 Ignored bad PDB record found on line 80260 
    5431 ATOM 2236c HWS SOL W6413 87.232 -17.425 -55.346 1.00 0.00 H 
    5432  
    5433 Ignored bad PDB record found on line 80261 
    5434 ATOM 2236e OWS SOL W6414 -62.931 -2.988 -47.384 1.00 0.00 O 
    5435  
    5436 Duplicate atom serial number found: 22370 
    5437 Duplicate atom serial number found: 22372 
    5438 Duplicate atom serial number found: 22374 
    5439 Duplicate atom serial number found: 22376 
    5440 Duplicate atom serial number found: 22378 
    5441 Ignored bad PDB record found on line 80267 
    5442 ATOM 2237a OWS SOL W6416 -83.057 -21.112 -52.827 1.00 0.00 O 
    5443  
    5444 Ignored bad PDB record found on line 80268 
    5445 ATOM 2237c HWS SOL W6416 -83.494 -21.956 -52.709 1.00 0.00 H 
    5446  
    5447 Ignored bad PDB record found on line 80269 
    5448 ATOM 2237e HWS SOL W6416 -83.090 -20.702 -51.963 1.00 0.00 H 
    5449  
    5450 Duplicate atom serial number found: 22380 
    5451 Duplicate atom serial number found: 22382 
    5452 Duplicate atom serial number found: 22384 
    5453 Duplicate atom serial number found: 22386 
    5454 Duplicate atom serial number found: 22388 
    5455 Ignored bad PDB record found on line 80275 
    5456 ATOM 2238a HWS SOL W6418 85.952 -43.594 -70.287 1.00 0.00 H 
    5457  
    5458 Ignored bad PDB record found on line 80276 
    5459 ATOM 2238c OWS SOL W6419 -71.278 -35.005 -74.748 1.00 0.00 O 
    5460  
    5461 Ignored bad PDB record found on line 80277 
    5462 ATOM 2238e HWS SOL W6419 -71.476 -35.302 -75.636 1.00 0.00 H 
    5463  
    5464 Duplicate atom serial number found: 22390 
    5465 Duplicate atom serial number found: 22392 
    5466 Duplicate atom serial number found: 22394 
    5467 Duplicate atom serial number found: 22396 
    5468 Duplicate atom serial number found: 22398 
    5469 Ignored bad PDB record found on line 80283 
    5470 ATOM 2239a HWS SOL W6421 -84.393 -50.743 -68.917 1.00 0.00 H 
    5471  
    5472 Ignored bad PDB record found on line 80284 
    5473 ATOM 2239c HWS SOL W6421 -82.881 -50.807 -68.957 1.00 0.00 H 
    5474  
    5475 Ignored bad PDB record found on line 80285 
    5476 ATOM 2239e OWS SOL W6422 88.007 -32.407 -28.915 1.00 0.00 O 
    5477  
    5478 Ignored bad PDB record found on line 80286 
    5479 ATOM 223a0 HWS SOL W6422 87.407 -32.879 -29.492 1.00 0.00 H 
    5480  
    5481 Ignored bad PDB record found on line 80287 
    5482 ATOM 223a2 HWS SOL W6422 88.744 -33.006 -28.794 1.00 0.00 H 
    5483  
    5484 46 messages similar to the above omitted 
    5485 Duplicate atom serial number found: 22400 
    5486 Duplicate atom serial number found: 22402 
    5487 Duplicate atom serial number found: 22404 
    5488 Duplicate atom serial number found: 22406 
    5489 Duplicate atom serial number found: 22408 
    5490 Ignored bad PDB record found on line 80339 
    5491 ATOM 2240a OWS SOL W6441 -82.555 -41.289 -33.720 1.00 0.00 O 
    5492  
    5493 Ignored bad PDB record found on line 80340 
    5494 ATOM 2240c HWS SOL W6441 -82.316 -42.021 -33.152 1.00 0.00 H 
    5495  
    5496 Ignored bad PDB record found on line 80341 
    5497 ATOM 2240e HWS SOL W6441 -82.233 -41.541 -34.585 1.00 0.00 H 
    5498  
    5499 Duplicate atom serial number found: 22410 
    5500 Duplicate atom serial number found: 22412 
    5501 Duplicate atom serial number found: 22414 
    5502 Duplicate atom serial number found: 22416 
    5503 Duplicate atom serial number found: 22418 
    5504 Ignored bad PDB record found on line 80347 
    5505 ATOM 2241a HWS SOL W6443 76.387 -7.303 -71.054 1.00 0.00 H 
    5506  
    5507 Ignored bad PDB record found on line 80348 
    5508 ATOM 2241c OWS SOL W6444 -64.708 -6.151 -33.778 1.00 0.00 O 
    5509  
    5510 Ignored bad PDB record found on line 80349 
    5511 ATOM 2241e HWS SOL W6444 -65.292 -5.405 -33.912 1.00 0.00 H 
    5512  
    5513 Duplicate atom serial number found: 22420 
    5514 Duplicate atom serial number found: 22422 
    5515 Duplicate atom serial number found: 22424 
    5516 Duplicate atom serial number found: 22426 
    5517 Duplicate atom serial number found: 22428 
    5518 Ignored bad PDB record found on line 80355 
    5519 ATOM 2242a HWS SOL W6446 -77.614 -21.591 -69.055 1.00 0.00 H 
    5520  
    5521 Ignored bad PDB record found on line 80356 
    5522 ATOM 2242c HWS SOL W6446 -78.951 -21.100 -68.542 1.00 0.00 H 
    5523  
    5524 Ignored bad PDB record found on line 80357 
    5525 ATOM 2242e OWS SOL W6447 86.520 -18.880 -45.799 1.00 0.00 O 
    5526  
    5527 Duplicate atom serial number found: 22430 
    5528 Duplicate atom serial number found: 22432 
    5529 Duplicate atom serial number found: 22434 
    5530 Duplicate atom serial number found: 22436 
    5531 Duplicate atom serial number found: 22438 
    5532 Ignored bad PDB record found on line 80363 
    5533 ATOM 2243a OWS SOL W6449 -84.794 -26.439 -37.062 1.00 0.00 O 
    5534  
    5535 Ignored bad PDB record found on line 80364 
    5536 ATOM 2243c HWS SOL W6449 -84.824 -27.343 -37.377 1.00 0.00 H 
    5537  
    5538 Ignored bad PDB record found on line 80365 
    5539 ATOM 2243e HWS SOL W6449 -85.618 -26.323 -36.589 1.00 0.00 H 
    5540  
    5541 Duplicate atom serial number found: 22440 
    5542 Duplicate atom serial number found: 22442 
    5543 Duplicate atom serial number found: 22444 
    5544 Duplicate atom serial number found: 22446 
    5545 Duplicate atom serial number found: 22448 
    5546 Ignored bad PDB record found on line 80371 
    5547 ATOM 2244a HWS SOL W6451 -76.946 -26.669 -47.657 1.00 0.00 H 
    5548  
    5549 Ignored bad PDB record found on line 80372 
    5550 ATOM 2244c OWS SOL W6452 -81.151 -6.509 -44.623 1.00 0.00 O 
    5551  
    5552 Ignored bad PDB record found on line 80373 
    5553 ATOM 2244e HWS SOL W6452 -81.174 -6.558 -45.579 1.00 0.00 H 
    5554  
    5555 Duplicate atom serial number found: 22450 
    5556 Duplicate atom serial number found: 22452 
    5557 Duplicate atom serial number found: 22454 
    5558 Duplicate atom serial number found: 22456 
    5559 Duplicate atom serial number found: 22458 
    5560 Ignored bad PDB record found on line 80379 
    5561 ATOM 2245a HWS SOL W6454 89.232 -34.894 -73.651 1.00 0.00 H 
    5562  
    5563 Ignored bad PDB record found on line 80380 
    5564 ATOM 2245c HWS SOL W6454 88.883 -35.920 -72.594 1.00 0.00 H 
    5565  
    5566 Ignored bad PDB record found on line 80381 
    5567 ATOM 2245e OWS SOL W6455 -76.557 -23.144 -60.576 1.00 0.00 O 
    5568  
    5569 Duplicate atom serial number found: 22460 
    5570 Duplicate atom serial number found: 22462 
    5571 Duplicate atom serial number found: 22464 
    5572 Duplicate atom serial number found: 22466 
    5573 Duplicate atom serial number found: 22468 
    5574 Ignored bad PDB record found on line 80387 
    5575 ATOM 2246a OWS SOL W6457 88.862 -7.340 -40.906 1.00 0.00 O 
    5576  
    5577 Ignored bad PDB record found on line 80388 
    5578 ATOM 2246c HWS SOL W6457 89.492 -6.717 -41.269 1.00 0.00 H 
    5579  
    5580 Ignored bad PDB record found on line 80389 
    5581 ATOM 2246e HWS SOL W6457 88.592 -7.873 -41.654 1.00 0.00 H 
    5582  
    5583 Duplicate atom serial number found: 22470 
    5584 Duplicate atom serial number found: 22472 
    5585 Duplicate atom serial number found: 22474 
    5586 Duplicate atom serial number found: 22476 
    5587 Duplicate atom serial number found: 22478 
    5588 Ignored bad PDB record found on line 80395 
    5589 ATOM 2247a HWS SOL W6459 -71.277 -38.277 -74.167 1.00 0.00 H 
    5590  
    5591 Ignored bad PDB record found on line 80396 
    5592 ATOM 2247c OWS SOL W6460 -77.538 -39.430 -47.857 1.00 0.00 O 
    5593  
    5594 Ignored bad PDB record found on line 80397 
    5595 ATOM 2247e HWS SOL W6460 -78.254 -39.824 -47.359 1.00 0.00 H 
    5596  
    5597 Duplicate atom serial number found: 22480 
    5598 Duplicate atom serial number found: 22482 
    5599 Duplicate atom serial number found: 22484 
    5600 Duplicate atom serial number found: 22486 
    5601 Duplicate atom serial number found: 22488 
    5602 Ignored bad PDB record found on line 80403 
    5603 ATOM 2248a HWS SOL W6462 88.893 -33.262 -54.744 1.00 0.00 H 
    5604  
    5605 Ignored bad PDB record found on line 80404 
    5606 ATOM 2248c HWS SOL W6462 90.000 -34.136 -55.293 1.00 0.00 H 
    5607  
    5608 Ignored bad PDB record found on line 80405 
    5609 ATOM 2248e OWS SOL W6463 -82.980 -22.042 -56.664 1.00 0.00 O 
    5610  
    5611 Duplicate atom serial number found: 22490 
    5612 Duplicate atom serial number found: 22492 
    5613 Duplicate atom serial number found: 22494 
    5614 Duplicate atom serial number found: 22496 
    5615 Duplicate atom serial number found: 22498 
    5616 Ignored bad PDB record found on line 80411 
    5617 ATOM 2249a OWS SOL W6465 -87.237 -6.444 -27.983 1.00 0.00 O 
    5618  
    5619 Ignored bad PDB record found on line 80412 
    5620 ATOM 2249c HWS SOL W6465 -87.221 -5.919 -27.183 1.00 0.00 H 
    5621  
    5622 Ignored bad PDB record found on line 80413 
    5623 ATOM 2249e HWS SOL W6465 -88.147 -6.728 -28.066 1.00 0.00 H 
    5624  
    5625 Ignored bad PDB record found on line 80414 
    5626 ATOM 224a0 OWS SOL W6466 -80.323 -18.238 -56.987 1.00 0.00 O 
    5627  
    5628 Ignored bad PDB record found on line 80415 
    5629 ATOM 224a2 HWS SOL W6466 -79.417 -18.545 -56.948 1.00 0.00 H 
    5630  
    5631 46 messages similar to the above omitted 
    5632 Duplicate atom serial number found: 22500 
    5633 Duplicate atom serial number found: 22502 
    5634 Duplicate atom serial number found: 22504 
    5635 Duplicate atom serial number found: 22506 
    5636 Duplicate atom serial number found: 22508 
    5637 Ignored bad PDB record found on line 80467 
    5638 ATOM 2250a HWS SOL W6483 -80.919 1.350 -51.741 1.00 0.00 H 
    5639  
    5640 Ignored bad PDB record found on line 80468 
    5641 ATOM 2250c OWS SOL W6484 84.806 -39.637 -54.198 1.00 0.00 O 
    5642  
    5643 Ignored bad PDB record found on line 80469 
    5644 ATOM 2250e HWS SOL W6484 85.048 -39.604 -53.273 1.00 0.00 H 
    5645  
    5646 Duplicate atom serial number found: 22510 
    5647 Duplicate atom serial number found: 22512 
    5648 Duplicate atom serial number found: 22514 
    5649 Duplicate atom serial number found: 22516 
    5650 Duplicate atom serial number found: 22518 
    5651 Ignored bad PDB record found on line 80475 
    5652 ATOM 2251a HWS SOL W6486 83.522 -12.169 -23.745 1.00 0.00 H 
    5653  
    5654 Ignored bad PDB record found on line 80476 
    5655 ATOM 2251c HWS SOL W6486 82.450 -11.740 -24.724 1.00 0.00 H 
    5656  
    5657 Ignored bad PDB record found on line 80477 
    5658 ATOM 2251e OWS SOL W6487 -63.464 -6.234 -64.025 1.00 0.00 O 
    5659  
    5660 Duplicate atom serial number found: 22520 
    5661 Duplicate atom serial number found: 22522 
    5662 Duplicate atom serial number found: 22524 
    5663 Duplicate atom serial number found: 22526 
    5664 Duplicate atom serial number found: 22528 
    5665 Ignored bad PDB record found on line 80483 
    5666 ATOM 2252a OWS SOL W6489 -86.163 -30.399 -79.313 1.00 0.00 O 
    5667  
    5668 Ignored bad PDB record found on line 80484 
    5669 ATOM 2252c HWS SOL W6489 -86.111 -29.515 -79.676 1.00 0.00 H 
    5670  
    5671 Ignored bad PDB record found on line 80485 
    5672 ATOM 2252e HWS SOL W6489 -85.374 -30.837 -79.632 1.00 0.00 H 
    5673  
    5674 Duplicate atom serial number found: 22530 
    5675 Duplicate atom serial number found: 22532 
    5676 Duplicate atom serial number found: 22534 
    5677 Duplicate atom serial number found: 22536 
    5678 Duplicate atom serial number found: 22538 
    5679 Ignored bad PDB record found on line 80491 
    5680 ATOM 2253a HWS SOL W6491 -72.310 -5.681 -79.997 1.00 0.00 H 
    5681  
    5682 Ignored bad PDB record found on line 80492 
    5683 ATOM 2253c OWS SOL W6492 -85.747 -12.236 -29.003 1.00 0.00 O 
    5684  
    5685 Ignored bad PDB record found on line 80493 
    5686 ATOM 2253e HWS SOL W6492 -86.257 -12.308 -28.196 1.00 0.00 H 
    5687  
    5688 Duplicate atom serial number found: 22540 
    5689 Duplicate atom serial number found: 22542 
    5690 Duplicate atom serial number found: 22544 
    5691 Duplicate atom serial number found: 22546 
    5692 Duplicate atom serial number found: 22548 
    5693 Ignored bad PDB record found on line 80499 
    5694 ATOM 2254a HWS SOL W6494 -76.531 -49.003 -56.262 1.00 0.00 H 
    5695  
    5696 Ignored bad PDB record found on line 80500 
    5697 ATOM 2254c HWS SOL W6494 -75.696 -48.502 -57.422 1.00 0.00 H 
    5698  
    5699 Ignored bad PDB record found on line 80501 
    5700 ATOM 2254e OWS SOL W6495 -73.096 -38.256 -49.510 1.00 0.00 O 
    5701  
    5702 Duplicate atom serial number found: 22550 
    5703 Duplicate atom serial number found: 22552 
    5704 Duplicate atom serial number found: 22554 
    5705 Duplicate atom serial number found: 22556 
    5706 Duplicate atom serial number found: 22558 
    5707 Ignored bad PDB record found on line 80507 
    5708 ATOM 2255a OWS SOL W6497 -83.059 -21.370 -37.898 1.00 0.00 O 
    5709  
    5710 Ignored bad PDB record found on line 80508 
    5711 ATOM 2255c HWS SOL W6497 -82.689 -20.790 -38.564 1.00 0.00 H 
    5712  
    5713 Ignored bad PDB record found on line 80509 
    5714 ATOM 2255e HWS SOL W6497 -83.596 -20.795 -37.352 1.00 0.00 H 
    5715  
    5716 Duplicate atom serial number found: 22560 
    5717 Duplicate atom serial number found: 22562 
    5718 Duplicate atom serial number found: 22564 
    5719 Duplicate atom serial number found: 22566 
    5720 Duplicate atom serial number found: 22568 
    5721 Ignored bad PDB record found on line 80515 
    5722 ATOM 2256a HWS SOL W6499 -87.078 -24.457 -53.015 1.00 0.00 H 
    5723  
    5724 Ignored bad PDB record found on line 80516 
    5725 ATOM 2256c OWS SOL W6500 -81.580 -27.037 -50.838 1.00 0.00 O 
    5726  
    5727 Ignored bad PDB record found on line 80517 
    5728 ATOM 2256e HWS SOL W6500 -81.936 -26.262 -50.402 1.00 0.00 H 
    5729  
    5730 Duplicate atom serial number found: 22570 
    5731 Duplicate atom serial number found: 22572 
    5732 Duplicate atom serial number found: 22574 
    5733 Duplicate atom serial number found: 22576 
    5734 Duplicate atom serial number found: 22578 
    5735 Ignored bad PDB record found on line 80523 
    5736 ATOM 2257a HWS SOL W6502 88.114 -14.010 -50.647 1.00 0.00 H 
    5737  
    5738 Ignored bad PDB record found on line 80524 
    5739 ATOM 2257c HWS SOL W6502 88.913 -15.070 -51.375 1.00 0.00 H 
    5740  
    5741 Ignored bad PDB record found on line 80525 
    5742 ATOM 2257e OWS SOL W6503 -77.438 -31.630 -49.163 1.00 0.00 O 
    5743  
    5744 Duplicate atom serial number found: 22580 
    5745 Duplicate atom serial number found: 22582 
    5746 Duplicate atom serial number found: 22584 
    5747 Duplicate atom serial number found: 22586 
    5748 Duplicate atom serial number found: 22588 
    5749 Ignored bad PDB record found on line 80531 
    5750 ATOM 2258a OWS SOL W6505 -80.408 -38.202 -52.576 1.00 0.00 O 
    5751  
    5752 Ignored bad PDB record found on line 80532 
    5753 ATOM 2258c HWS SOL W6505 -81.121 -37.973 -53.172 1.00 0.00 H 
    5754  
    5755 Ignored bad PDB record found on line 80533 
    5756 ATOM 2258e HWS SOL W6505 -79.745 -37.527 -52.726 1.00 0.00 H 
    5757  
    5758 Duplicate atom serial number found: 22590 
    5759 Duplicate atom serial number found: 22592 
    5760 Duplicate atom serial number found: 22594 
    5761 Duplicate atom serial number found: 22596 
    5762 Duplicate atom serial number found: 22598 
    5763 Ignored bad PDB record found on line 80539 
    5764 ATOM 2259a HWS SOL W6507 -86.649 -24.354 -64.804 1.00 0.00 H 
    5765  
    5766 Ignored bad PDB record found on line 80540 
    5767 ATOM 2259c OWS SOL W6508 -85.340 -54.932 -34.260 1.00 0.00 O 
    5768  
    5769 Ignored bad PDB record found on line 80541 
    5770 ATOM 2259e HWS SOL W6508 -84.522 -54.830 -33.774 1.00 0.00 H 
    5771  
    5772 Ignored bad PDB record found on line 80542 
    5773 ATOM 225a0 HWS SOL W6508 -85.643 -54.037 -34.410 1.00 0.00 H 
    5774  
    5775 Ignored bad PDB record found on line 80543 
    5776 ATOM 225a2 OWS SOL W6509 -69.979 -30.199 -44.327 1.00 0.00 O 
    5777  
    5778 46 messages similar to the above omitted 
    5779 Duplicate atom serial number found: 22600 
    5780 Duplicate atom serial number found: 22602 
    5781 Duplicate atom serial number found: 22604 
    5782 Duplicate atom serial number found: 22606 
    5783 Duplicate atom serial number found: 22608 
    5784 Ignored bad PDB record found on line 80595 
    5785 ATOM 2260a HWS SOL W6526 -57.854 -45.982 -74.662 1.00 0.00 H 
    5786  
    5787 Ignored bad PDB record found on line 80596 
    5788 ATOM 2260c HWS SOL W6526 -57.110 -46.794 -73.623 1.00 0.00 H 
    5789  
    5790 Ignored bad PDB record found on line 80597 
    5791 ATOM 2260e OWS SOL W6527 -64.304 -35.694 -26.655 1.00 0.00 O 
    5792  
    5793 Duplicate atom serial number found: 22610 
    5794 Duplicate atom serial number found: 22612 
    5795 Duplicate atom serial number found: 22614 
    5796 Duplicate atom serial number found: 22616 
    5797 Duplicate atom serial number found: 22618 
    5798 Ignored bad PDB record found on line 80603 
    5799 ATOM 2261a OWS SOL W6529 -76.943 -36.910 -57.025 1.00 0.00 O 
    5800  
    5801 Ignored bad PDB record found on line 80604 
    5802 ATOM 2261c HWS SOL W6529 -77.676 -36.828 -56.415 1.00 0.00 H 
    5803  
    5804 Ignored bad PDB record found on line 80605 
    5805 ATOM 2261e HWS SOL W6529 -76.421 -36.121 -56.879 1.00 0.00 H 
    5806  
    5807 Duplicate atom serial number found: 22620 
    5808 Duplicate atom serial number found: 22622 
    5809 Duplicate atom serial number found: 22624 
    5810 Duplicate atom serial number found: 22626 
    5811 Duplicate atom serial number found: 22628 
    5812 Ignored bad PDB record found on line 80611 
    5813 ATOM 2262a HWS SOL W6531 79.799 -19.813 -27.625 1.00 0.00 H 
    5814  
    5815 Ignored bad PDB record found on line 80612 
    5816 ATOM 2262c OWS SOL W6532 -87.845 -17.404 -51.016 1.00 0.00 O 
    5817  
    5818 Ignored bad PDB record found on line 80613 
    5819 ATOM 2262e HWS SOL W6532 -88.699 -17.832 -50.959 1.00 0.00 H 
    5820  
    5821 Duplicate atom serial number found: 22630 
    5822 Duplicate atom serial number found: 22632 
    5823 Duplicate atom serial number found: 22634 
    5824 Duplicate atom serial number found: 22636 
    5825 Duplicate atom serial number found: 22638 
    5826 Ignored bad PDB record found on line 80619 
    5827 ATOM 2263a HWS SOL W6534 83.058 -11.353 -46.876 1.00 0.00 H 
    5828  
    5829 Ignored bad PDB record found on line 80620 
    5830 ATOM 2263c HWS SOL W6534 82.116 -11.668 -45.734 1.00 0.00 H 
    5831  
    5832 Ignored bad PDB record found on line 80621 
    5833 ATOM 2263e OWS SOL W6535 -73.020 -14.298 -52.412 1.00 0.00 O 
    5834  
    5835 Duplicate atom serial number found: 22640 
    5836 Duplicate atom serial number found: 22642 
    5837 Duplicate atom serial number found: 22644 
    5838 Duplicate atom serial number found: 22646 
    5839 Duplicate atom serial number found: 22648 
    5840 Ignored bad PDB record found on line 80627 
    5841 ATOM 2264a OWS SOL W6537 85.396 -16.412 -52.669 1.00 0.00 O 
    5842  
    5843 Ignored bad PDB record found on line 80628 
    5844 ATOM 2264c HWS SOL W6537 84.842 -17.075 -52.258 1.00 0.00 H 
    5845  
    5846 Ignored bad PDB record found on line 80629 
    5847 ATOM 2264e HWS SOL W6537 86.268 -16.571 -52.309 1.00 0.00 H 
    5848  
    5849 Duplicate atom serial number found: 22650 
    5850 Duplicate atom serial number found: 22652 
    5851 Duplicate atom serial number found: 22654 
    5852 Duplicate atom serial number found: 22656 
    5853 Duplicate atom serial number found: 22658 
    5854 Ignored bad PDB record found on line 80635 
    5855 ATOM 2265a HWS SOL W6539 -82.290 -31.739 -61.126 1.00 0.00 H 
    5856  
    5857 Ignored bad PDB record found on line 80636 
    5858 ATOM 2265c OWS SOL W6540 -76.947 -35.486 -61.021 1.00 0.00 O 
    5859  
    5860 Ignored bad PDB record found on line 80637 
    5861 ATOM 2265e HWS SOL W6540 -76.169 -34.937 -61.119 1.00 0.00 H 
    5862  
    5863 Duplicate atom serial number found: 22660 
    5864 Duplicate atom serial number found: 22662 
    5865 Duplicate atom serial number found: 22664 
    5866 Duplicate atom serial number found: 22666 
    5867 Duplicate atom serial number found: 22668 
    5868 Ignored bad PDB record found on line 80643 
    5869 ATOM 2266a HWS SOL W6542 -75.877 2.570 -43.631 1.00 0.00 H 
    5870  
    5871 Ignored bad PDB record found on line 80644 
    5872 ATOM 2266c HWS SOL W6542 -76.703 1.954 -44.740 1.00 0.00 H 
    5873  
    5874 Ignored bad PDB record found on line 80645 
    5875 ATOM 2266e OWS SOL W6543 -66.291 -39.430 -44.574 1.00 0.00 O 
    5876  
    5877 Duplicate atom serial number found: 22670 
    5878 Duplicate atom serial number found: 22672 
    5879 Duplicate atom serial number found: 22674 
    5880 Duplicate atom serial number found: 22676 
    5881 Duplicate atom serial number found: 22678 
    5882 Ignored bad PDB record found on line 80651 
    5883 ATOM 2267a OWS SOL W6545 83.504 -24.949 -67.275 1.00 0.00 O 
    5884  
    5885 Ignored bad PDB record found on line 80652 
    5886 ATOM 2267c HWS SOL W6545 83.176 -24.193 -67.762 1.00 0.00 H 
    5887  
    5888 Ignored bad PDB record found on line 80653 
    5889 ATOM 2267e HWS SOL W6545 84.103 -24.577 -66.628 1.00 0.00 H 
    5890  
    5891 Duplicate atom serial number found: 22680 
    5892 Duplicate atom serial number found: 22682 
    5893 Duplicate atom serial number found: 22684 
    5894 Duplicate atom serial number found: 22686 
    5895 Duplicate atom serial number found: 22688 
    5896 Ignored bad PDB record found on line 80659 
    5897 ATOM 2268a HWS SOL W6547 90.079 -31.001 -24.041 1.00 0.00 H 
    5898  
    5899 Ignored bad PDB record found on line 80660 
    5900 ATOM 2268c OWS SOL W6548 -61.299 -36.020 -59.356 1.00 0.00 O 
    5901  
    5902 Ignored bad PDB record found on line 80661 
    5903 ATOM 2268e HWS SOL W6548 -60.367 -35.874 -59.195 1.00 0.00 H 
    5904  
    5905 Duplicate atom serial number found: 22690 
    5906 Duplicate atom serial number found: 22692 
    5907 Duplicate atom serial number found: 22694 
    5908 Duplicate atom serial number found: 22696 
    5909 Duplicate atom serial number found: 22698 
    5910 Ignored bad PDB record found on line 80667 
    5911 ATOM 2269a HWS SOL W6550 -79.094 -29.617 -66.444 1.00 0.00 H 
    5912  
    5913 Ignored bad PDB record found on line 80668 
    5914 ATOM 2269c HWS SOL W6550 -78.210 -30.720 -66.985 1.00 0.00 H 
    5915  
    5916 Ignored bad PDB record found on line 80669 
    5917 ATOM 2269e OWS SOL W6551 -75.329 -33.190 -61.336 1.00 0.00 O 
    5918  
    5919 Ignored bad PDB record found on line 80670 
    5920 ATOM 226a0 HWS SOL W6551 -75.358 -33.358 -62.278 1.00 0.00 H 
    5921  
    5922 Ignored bad PDB record found on line 80671 
    5923 ATOM 226a2 HWS SOL W6551 -74.690 -32.485 -61.237 1.00 0.00 H 
    5924  
    5925 46 messages similar to the above omitted 
    5926 Duplicate atom serial number found: 22700 
    5927 Duplicate atom serial number found: 22702 
    5928 Duplicate atom serial number found: 22704 
    5929 Duplicate atom serial number found: 22706 
    5930 Duplicate atom serial number found: 22708 
    5931 Ignored bad PDB record found on line 80723 
    5932 ATOM 2270a OWS SOL W6569 88.743 -24.377 -58.368 1.00 0.00 O 
    5933  
    5934 Ignored bad PDB record found on line 80724 
    5935 ATOM 2270c HWS SOL W6569 89.535 -24.729 -58.774 1.00 0.00 H 
    5936  
    5937 Ignored bad PDB record found on line 80725 
    5938 ATOM 2270e HWS SOL W6569 88.675 -24.840 -57.533 1.00 0.00 H 
    5939  
    5940 Duplicate atom serial number found: 22710 
    5941 Duplicate atom serial number found: 22712 
    5942 Duplicate atom serial number found: 22714 
    5943 Duplicate atom serial number found: 22716 
    5944 Duplicate atom serial number found: 22718 
    5945 Ignored bad PDB record found on line 80731 
    5946 ATOM 2271a HWS SOL W6571 80.633 -48.691 -48.274 1.00 0.00 H 
    5947  
    5948 Ignored bad PDB record found on line 80732 
    5949 ATOM 2271c OWS SOL W6572 -72.598 -29.256 -45.575 1.00 0.00 O 
    5950  
    5951 Ignored bad PDB record found on line 80733 
    5952 ATOM 2271e HWS SOL W6572 -71.828 -29.477 -46.098 1.00 0.00 H 
    5953  
    5954 Duplicate atom serial number found: 22720 
    5955 Duplicate atom serial number found: 22722 
    5956 Duplicate atom serial number found: 22724 
    5957 Duplicate atom serial number found: 22726 
    5958 Duplicate atom serial number found: 22728 
    5959 Ignored bad PDB record found on line 80739 
    5960 ATOM 2272a HWS SOL W6574 -86.792 -17.480 -37.833 1.00 0.00 H 
    5961  
    5962 Ignored bad PDB record found on line 80740 
    5963 ATOM 2272c HWS SOL W6574 -85.848 -18.662 -37.885 1.00 0.00 H 
    5964  
    5965 Ignored bad PDB record found on line 80741 
    5966 ATOM 2272e OWS SOL W6575 -68.489 -10.297 -40.351 1.00 0.00 O 
    5967  
    5968 Duplicate atom serial number found: 22730 
    5969 Duplicate atom serial number found: 22732 
    5970 Duplicate atom serial number found: 22734 
    5971 Duplicate atom serial number found: 22736 
    5972 Duplicate atom serial number found: 22738 
    5973 Ignored bad PDB record found on line 80747 
    5974 ATOM 2273a OWS SOL W6577 -75.328 -39.347 -69.812 1.00 0.00 O 
    5975  
    5976 Ignored bad PDB record found on line 80748 
    5977 ATOM 2273c HWS SOL W6577 -75.531 -38.933 -70.652 1.00 0.00 H 
    5978  
    5979 Ignored bad PDB record found on line 80749 
    5980 ATOM 2273e HWS SOL W6577 -74.677 -40.015 -70.025 1.00 0.00 H 
    5981  
    5982 Duplicate atom serial number found: 22740 
    5983 Duplicate atom serial number found: 22742 
    5984 Duplicate atom serial number found: 22744 
    5985 Duplicate atom serial number found: 22746 
    5986 Duplicate atom serial number found: 22748 
    5987 Ignored bad PDB record found on line 80755 
    5988 ATOM 2274a HWS SOL W6579 -69.346 -13.581 -61.137 1.00 0.00 H 
    5989  
    5990 Ignored bad PDB record found on line 80756 
    5991 ATOM 2274c OWS SOL W6580 -83.496 -5.683 -47.712 1.00 0.00 O 
    5992  
    5993 Ignored bad PDB record found on line 80757 
    5994 ATOM 2274e HWS SOL W6580 -83.232 -4.896 -48.188 1.00 0.00 H 
    5995  
    5996 Duplicate atom serial number found: 22750 
    5997 Duplicate atom serial number found: 22752 
    5998 Duplicate atom serial number found: 22754 
    5999 Duplicate atom serial number found: 22756 
    6000 Duplicate atom serial number found: 22758 
    6001 Ignored bad PDB record found on line 80763 
    6002 ATOM 2275a HWS SOL W6582 89.894 -32.885 -50.546 1.00 0.00 H 
    6003  
    6004 Ignored bad PDB record found on line 80764 
    6005 ATOM 2275c HWS SOL W6582 90.369 -34.322 -50.546 1.00 0.00 H 
    6006  
    6007 Ignored bad PDB record found on line 80765 
    6008 ATOM 2275e OWS SOL W6583 -79.648 -29.614 -60.112 1.00 0.00 O 
    6009  
    6010 Duplicate atom serial number found: 22760 
    6011 Duplicate atom serial number found: 22762 
    6012 Duplicate atom serial number found: 22764 
    6013 Duplicate atom serial number found: 22766 
    6014 Duplicate atom serial number found: 22768 
    6015 Ignored bad PDB record found on line 80771 
    6016 ATOM 2276a OWS SOL W6585 -89.786 -23.378 -48.527 1.00 0.00 O 
    6017  
    6018 Ignored bad PDB record found on line 80772 
    6019 ATOM 2276c HWS SOL W6585 -90.382 -22.895 -49.100 1.00 0.00 H 
    6020  
    6021 Ignored bad PDB record found on line 80773 
    6022 ATOM 2276e HWS SOL W6585 -89.267 -23.918 -49.123 1.00 0.00 H 
    6023  
    6024 Duplicate atom serial number found: 22770 
    6025 Duplicate atom serial number found: 22772 
    6026 Duplicate atom serial number found: 22774 
    6027 Duplicate atom serial number found: 22776 
    6028 Duplicate atom serial number found: 22778 
    6029 Ignored bad PDB record found on line 80779 
    6030 ATOM 2277a HWS SOL W6587 -72.133 -29.822 -60.660 1.00 0.00 H 
    6031  
    6032 Ignored bad PDB record found on line 80780 
    6033 ATOM 2277c OWS SOL W6588 73.191 -29.204 -78.259 1.00 0.00 O 
    6034  
    6035 Ignored bad PDB record found on line 80781 
    6036 ATOM 2277e HWS SOL W6588 73.048 -28.657 -77.487 1.00 0.00 H 
    6037  
    6038 Duplicate atom serial number found: 22780 
    6039 Duplicate atom serial number found: 22782 
    6040 Duplicate atom serial number found: 22784 
    6041 Duplicate atom serial number found: 22786 
    6042 Duplicate atom serial number found: 22788 
    6043 Ignored bad PDB record found on line 80787 
    6044 ATOM 2278a HWS SOL W6590 -75.907 -49.624 -60.950 1.00 0.00 H 
    6045  
    6046 Ignored bad PDB record found on line 80788 
    6047 ATOM 2278c HWS SOL W6590 -76.187 -48.183 -61.321 1.00 0.00 H 
    6048  
    6049 Ignored bad PDB record found on line 80789 
    6050 ATOM 2278e OWS SOL W6591 -84.164 -25.095 -67.977 1.00 0.00 O 
    6051  
    6052 Duplicate atom serial number found: 22790 
    6053 Duplicate atom serial number found: 22792 
    6054 Duplicate atom serial number found: 22794 
    6055 Duplicate atom serial number found: 22796 
    6056 Duplicate atom serial number found: 22798 
    6057 Ignored bad PDB record found on line 80795 
    6058 ATOM 2279a OWS SOL W6593 -72.542 -30.625 -40.801 1.00 0.00 O 
    6059  
    6060 Ignored bad PDB record found on line 80796 
    6061 ATOM 2279c HWS SOL W6593 -72.696 -30.989 -41.673 1.00 0.00 H 
    6062  
    6063 Ignored bad PDB record found on line 80797 
    6064 ATOM 2279e HWS SOL W6593 -72.656 -31.367 -40.208 1.00 0.00 H 
    6065  
    6066 Ignored bad PDB record found on line 80798 
    6067 ATOM 227a0 OWS SOL W6594 -65.213 -29.647 -44.467 1.00 0.00 O 
    6068  
    6069 Ignored bad PDB record found on line 80799 
    6070 ATOM 227a2 HWS SOL W6594 -65.696 -28.827 -44.572 1.00 0.00 H 
    6071  
    6072 46 messages similar to the above omitted 
    6073 Duplicate atom serial number found: 22800 
    6074 Duplicate atom serial number found: 22802 
    6075 Duplicate atom serial number found: 22804 
    6076 Duplicate atom serial number found: 22806 
    6077 Duplicate atom serial number found: 22808 
    6078 Ignored bad PDB record found on line 80851 
    6079 ATOM 2280a HWS SOL W6611 -72.239 -45.729 -44.149 1.00 0.00 H 
    6080  
    6081 Ignored bad PDB record found on line 80852 
    6082 ATOM 2280c OWS SOL W6612 -75.100 -54.237 -53.173 1.00 0.00 O 
    6083  
    6084 Ignored bad PDB record found on line 80853 
    6085 ATOM 2280e HWS SOL W6612 -74.708 -53.493 -53.629 1.00 0.00 H 
    6086  
    6087 Duplicate atom serial number found: 22810 
    6088 Duplicate atom serial number found: 22812 
    6089 Duplicate atom serial number found: 22814 
    6090 Duplicate atom serial number found: 22816 
    6091 Duplicate atom serial number found: 22818 
    6092 Ignored bad PDB record found on line 80859 
    6093 ATOM 2281a HWS SOL W6614 -81.455 -10.748 -37.154 1.00 0.00 H 
    6094  
    6095 Ignored bad PDB record found on line 80860 
    6096 ATOM 2281c HWS SOL W6614 -81.365 -11.276 -38.570 1.00 0.00 H 
    6097  
    6098 Ignored bad PDB record found on line 80861 
    6099 ATOM 2281e OWS SOL W6615 -68.042 -49.980 -62.400 1.00 0.00 O 
    6100  
    6101 Duplicate atom serial number found: 22820 
    6102 Duplicate atom serial number found: 22822 
    6103 Duplicate atom serial number found: 22824 
    6104 Duplicate atom serial number found: 22826 
    6105 Duplicate atom serial number found: 22828 
    6106 Ignored bad PDB record found on line 80867 
    6107 ATOM 2282a OWS SOL W6617 -85.090 -16.405 -34.085 1.00 0.00 O 
    6108  
    6109 Ignored bad PDB record found on line 80868 
    6110 ATOM 2282c HWS SOL W6617 -84.801 -17.280 -34.345 1.00 0.00 H 
    6111  
    6112 Ignored bad PDB record found on line 80869 
    6113 ATOM 2282e HWS SOL W6617 -86.043 -16.472 -34.038 1.00 0.00 H 
    6114  
    6115 Duplicate atom serial number found: 22830 
    6116 Duplicate atom serial number found: 22832 
    6117 Duplicate atom serial number found: 22834 
    6118 Duplicate atom serial number found: 22836 
    6119 Duplicate atom serial number found: 22838 
    6120 Ignored bad PDB record found on line 80875 
    6121 ATOM 2283a HWS SOL W6619 84.997 -14.590 -70.461 1.00 0.00 H 
    6122  
    6123 Ignored bad PDB record found on line 80876 
    6124 ATOM 2283c OWS SOL W6620 -84.311 -19.282 -36.604 1.00 0.00 O 
    6125  
    6126 Ignored bad PDB record found on line 80877 
    6127 ATOM 2283e HWS SOL W6620 -83.385 -19.095 -36.447 1.00 0.00 H 
    6128  
    6129 Duplicate atom serial number found: 22840 
    6130 Duplicate atom serial number found: 22842 
    6131 Duplicate atom serial number found: 22844 
    6132 Duplicate atom serial number found: 22846 
    6133 Duplicate atom serial number found: 22848 
    6134 Ignored bad PDB record found on line 80883 
    6135 ATOM 2284a HWS SOL W6622 -75.907 -29.912 -73.878 1.00 0.00 H 
    6136  
    6137 Ignored bad PDB record found on line 80884 
    6138 ATOM 2284c HWS SOL W6622 -74.826 -29.141 -74.605 1.00 0.00 H 
    6139  
    6140 Ignored bad PDB record found on line 80885 
    6141 ATOM 2284e OWS SOL W6623 -83.773 -12.175 -75.847 1.00 0.00 O 
    6142  
    6143 Duplicate atom serial number found: 22850 
    6144 Duplicate atom serial number found: 22852 
    6145 Duplicate atom serial number found: 22854 
    6146 Duplicate atom serial number found: 22856 
    6147 Duplicate atom serial number found: 22858 
    6148 Ignored bad PDB record found on line 80891 
    6149 ATOM 2285a OWS SOL W6625 -75.798 -15.352 -50.536 1.00 0.00 O 
    6150  
    6151 Ignored bad PDB record found on line 80892 
    6152 ATOM 2285c HWS SOL W6625 -76.748 -15.390 -50.427 1.00 0.00 H 
    6153  
    6154 Ignored bad PDB record found on line 80893 
    6155 ATOM 2285e HWS SOL W6625 -75.597 -16.071 -51.136 1.00 0.00 H 
    6156  
    6157 Duplicate atom serial number found: 22860 
    6158 Duplicate atom serial number found: 22862 
    6159 Duplicate atom serial number found: 22864 
    6160 Duplicate atom serial number found: 22866 
    6161 Duplicate atom serial number found: 22868 
    6162 Ignored bad PDB record found on line 80899 
    6163 ATOM 2286a HWS SOL W6627 -72.397 0.104 -63.277 1.00 0.00 H 
    6164  
    6165 Ignored bad PDB record found on line 80900 
    6166 ATOM 2286c OWS SOL W6628 86.798 -40.302 -51.985 1.00 0.00 O 
    6167  
    6168 Ignored bad PDB record found on line 80901 
    6169 ATOM 2286e HWS SOL W6628 86.285 -41.088 -51.794 1.00 0.00 H 
    6170  
    6171 Duplicate atom serial number found: 22870 
    6172 Duplicate atom serial number found: 22872 
    6173 Duplicate atom serial number found: 22874 
    6174 Duplicate atom serial number found: 22876 
    6175 Duplicate atom serial number found: 22878 
    6176 Ignored bad PDB record found on line 80907 
    6177 ATOM 2287a HWS SOL W6630 88.381 -14.249 -58.881 1.00 0.00 H 
    6178  
    6179 Ignored bad PDB record found on line 80908 
    6180 ATOM 2287c HWS SOL W6630 88.750 -15.490 -58.096 1.00 0.00 H 
    6181  
    6182 Ignored bad PDB record found on line 80909 
    6183 ATOM 2287e OWS SOL W6631 -77.053 -19.505 -63.918 1.00 0.00 O 
    6184  
    6185 Duplicate atom serial number found: 22880 
    6186 Duplicate atom serial number found: 22882 
    6187 Duplicate atom serial number found: 22884 
    6188 Duplicate atom serial number found: 22886 
    6189 Duplicate atom serial number found: 22888 
    6190 Ignored bad PDB record found on line 80915 
    6191 ATOM 2288a OWS SOL W6633 -84.366 -31.873 -29.812 1.00 0.00 O 
    6192  
    6193 Ignored bad PDB record found on line 80916 
    6194 ATOM 2288c HWS SOL W6633 -83.688 -31.319 -29.425 1.00 0.00 H 
    6195  
    6196 Ignored bad PDB record found on line 80917 
    6197 ATOM 2288e HWS SOL W6633 -84.257 -31.761 -30.756 1.00 0.00 H 
    6198  
    6199 Duplicate atom serial number found: 22890 
    6200 Duplicate atom serial number found: 22892 
    6201 Duplicate atom serial number found: 22894 
    6202 Duplicate atom serial number found: 22896 
    6203 Duplicate atom serial number found: 22898 
    6204 Ignored bad PDB record found on line 80923 
    6205 ATOM 2289a HWS SOL W6635 -85.421 -6.370 -61.406 1.00 0.00 H 
    6206  
    6207 Ignored bad PDB record found on line 80924 
    6208 ATOM 2289c OWS SOL W6636 -77.552 -0.524 -60.732 1.00 0.00 O 
    6209  
    6210 Ignored bad PDB record found on line 80925 
    6211 ATOM 2289e HWS SOL W6636 -77.622 0.349 -60.347 1.00 0.00 H 
    6212  
    6213 Ignored bad PDB record found on line 80926 
    6214 ATOM 228a0 HWS SOL W6636 -77.214 -1.072 -60.024 1.00 0.00 H 
    6215  
    6216 Ignored bad PDB record found on line 80927 
    6217 ATOM 228a2 OWS SOL W6637 88.419 -30.028 -49.811 1.00 0.00 O 
    6218  
    6219 46 messages similar to the above omitted 
    6220 Duplicate atom serial number found: 22900 
    6221 Duplicate atom serial number found: 22902 
    6222 Duplicate atom serial number found: 22904 
    6223 Duplicate atom serial number found: 22906 
    6224 Duplicate atom serial number found: 22908 
    6225 Ignored bad PDB record found on line 80979 
    6226 ATOM 2290a HWS SOL W6654 -87.693 -0.394 -53.346 1.00 0.00 H 
    6227  
    6228 Ignored bad PDB record found on line 80980 
    6229 ATOM 2290c HWS SOL W6654 -87.833 -1.897 -53.236 1.00 0.00 H 
    6230  
    6231 Ignored bad PDB record found on line 80981 
    6232 ATOM 2290e OWS SOL W6655 -80.552 -46.760 -74.255 1.00 0.00 O 
    6233  
    6234 Duplicate atom serial number found: 22910 
    6235 Duplicate atom serial number found: 22912 
    6236 Duplicate atom serial number found: 22914 
    6237 Duplicate atom serial number found: 22916 
    6238 Duplicate atom serial number found: 22918 
    6239 Ignored bad PDB record found on line 80987 
    6240 ATOM 2291a OWS SOL W6657 -67.359 -2.705 -30.772 1.00 0.00 O 
    6241  
    6242 Ignored bad PDB record found on line 80988 
    6243 ATOM 2291c HWS SOL W6657 -66.986 -1.824 -30.757 1.00 0.00 H 
    6244  
    6245 Ignored bad PDB record found on line 80989 
    6246 ATOM 2291e HWS SOL W6657 -67.432 -2.951 -29.850 1.00 0.00 H 
    6247  
    6248 Duplicate atom serial number found: 22920 
    6249 Duplicate atom serial number found: 22922 
    6250 Duplicate atom serial number found: 22924 
    6251 Duplicate atom serial number found: 22926 
    6252 Duplicate atom serial number found: 22928 
    6253 Ignored bad PDB record found on line 80995 
    6254 ATOM 2292a HWS SOL W6659 81.662 -28.920 -39.870 1.00 0.00 H 
    6255  
    6256 Ignored bad PDB record found on line 80996 
    6257 ATOM 2292c OWS SOL W6660 -88.446 -12.370 -60.529 1.00 0.00 O 
    6258  
    6259 Ignored bad PDB record found on line 80997 
    6260 ATOM 2292e HWS SOL W6660 -88.007 -11.825 -61.182 1.00 0.00 H 
    6261  
    6262 Duplicate atom serial number found: 22930 
    6263 Duplicate atom serial number found: 22932 
    6264 Duplicate atom serial number found: 22934 
    6265 Duplicate atom serial number found: 22936 
    6266 Duplicate atom serial number found: 22938 
    6267 Ignored bad PDB record found on line 81003 
    6268 ATOM 2293a HWS SOL W6662 -80.804 -42.199 -67.405 1.00 0.00 H 
    6269  
    6270 Ignored bad PDB record found on line 81004 
    6271 ATOM 2293c HWS SOL W6662 -81.481 -40.863 -67.623 1.00 0.00 H 
    6272  
    6273 Ignored bad PDB record found on line 81005 
    6274 ATOM 2293e OWS SOL W6663 -75.319 -58.322 -64.865 1.00 0.00 O 
    6275  
    6276 Duplicate atom serial number found: 22940 
    6277 Duplicate atom serial number found: 22942 
    6278 Duplicate atom serial number found: 22944 
    6279 Duplicate atom serial number found: 22946 
    6280 Duplicate atom serial number found: 22948 
    6281 Ignored bad PDB record found on line 81011 
    6282 ATOM 2294a OWS SOL W6665 -84.456 -42.352 -39.536 1.00 0.00 O 
    6283  
    6284 Ignored bad PDB record found on line 81012 
    6285 ATOM 2294c HWS SOL W6665 -85.050 -41.863 -40.105 1.00 0.00 H 
    6286  
    6287 Ignored bad PDB record found on line 81013 
    6288 ATOM 2294e HWS SOL W6665 -84.839 -43.227 -39.484 1.00 0.00 H 
    6289  
    6290 Duplicate atom serial number found: 22950 
    6291 Duplicate atom serial number found: 22952 
    6292 Duplicate atom serial number found: 22954 
    6293 Duplicate atom serial number found: 22956 
    6294 Duplicate atom serial number found: 22958 
    6295 Ignored bad PDB record found on line 81019 
    6296 ATOM 2295a HWS SOL W6667 -83.381 -15.628 -53.368 1.00 0.00 H 
    6297  
    6298 Ignored bad PDB record found on line 81020 
    6299 ATOM 2295c OWS SOL W6668 -69.891 -16.274 -49.465 1.00 0.00 O 
    6300  
    6301 Ignored bad PDB record found on line 81021 
    6302 ATOM 2295e HWS SOL W6668 -69.385 -15.827 -48.786 1.00 0.00 H 
    6303  
    6304 Duplicate atom serial number found: 22960 
    6305 Duplicate atom serial number found: 22962 
    6306 Duplicate atom serial number found: 22964 
    6307 Duplicate atom serial number found: 22966 
    6308 Duplicate atom serial number found: 22968 
    6309 Ignored bad PDB record found on line 81027 
    6310 ATOM 2296a HWS SOL W6670 -84.267 -34.396 -36.403 1.00 0.00 H 
    6311  
    6312 Ignored bad PDB record found on line 81028 
    6313 ATOM 2296c HWS SOL W6670 -83.071 -34.843 -35.588 1.00 0.00 H 
    6314  
    6315 Ignored bad PDB record found on line 81029 
    6316 ATOM 2296e OWS SOL W6671 65.403 -32.034 -50.612 1.00 0.00 O 
    6317  
    6318 Duplicate atom serial number found: 22970 
    6319 Duplicate atom serial number found: 22972 
    6320 Duplicate atom serial number found: 22974 
    6321 Duplicate atom serial number found: 22976 
    6322 Duplicate atom serial number found: 22978 
    6323 Ignored bad PDB record found on line 81035 
    6324 ATOM 2297a OWS SOL W6673 -76.110 -28.469 -39.938 1.00 0.00 O 
    6325  
    6326 Ignored bad PDB record found on line 81036 
    6327 ATOM 2297c HWS SOL W6673 -76.216 -29.420 -39.970 1.00 0.00 H 
    6328  
    6329 Ignored bad PDB record found on line 81037 
    6330 ATOM 2297e HWS SOL W6673 -76.760 -28.177 -39.299 1.00 0.00 H 
    6331  
    6332 Duplicate atom serial number found: 22980 
    6333 Duplicate atom serial number found: 22982 
    6334 Duplicate atom serial number found: 22984 
    6335 Duplicate atom serial number found: 22986 
    6336 Duplicate atom serial number found: 22988 
    6337 Ignored bad PDB record found on line 81043 
    6338 ATOM 2298a HWS SOL W6676 -69.687 -30.604 -50.195 1.00 0.00 H 
    6339  
    6340 Ignored bad PDB record found on line 81044 
    6341 ATOM 2298c OWS SOL W6677 80.383 -29.347 -55.584 1.00 0.00 O 
    6342  
    6343 Ignored bad PDB record found on line 81045 
    6344 ATOM 2298e HWS SOL W6677 80.851 -29.628 -56.370 1.00 0.00 H 
    6345  
    6346 Duplicate atom serial number found: 22990 
    6347 Duplicate atom serial number found: 22992 
    6348 Duplicate atom serial number found: 22994 
    6349 Duplicate atom serial number found: 22996 
    6350 Duplicate atom serial number found: 22998 
    6351 Ignored bad PDB record found on line 81051 
    6352 ATOM 2299a HWS SOL W6679 -83.176 -12.098 -47.983 1.00 0.00 H 
    6353  
    6354 Ignored bad PDB record found on line 81052 
    6355 ATOM 2299c HWS SOL W6679 -82.652 -13.046 -46.925 1.00 0.00 H 
    6356  
    6357 Ignored bad PDB record found on line 81053 
    6358 ATOM 2299e OWS SOL W6680 -79.141 -10.674 -59.618 1.00 0.00 O 
    6359  
    6360 Ignored bad PDB record found on line 81054 
    6361 ATOM 229a0 HWS SOL W6680 -78.720 -10.196 -58.903 1.00 0.00 H 
    6362  
    6363 Ignored bad PDB record found on line 81055 
    6364 ATOM 229a2 HWS SOL W6680 -78.628 -11.478 -59.702 1.00 0.00 H 
    6365  
    6366 814 messages similar to the above omitted 
    6367 Duplicate atom serial number found: 23000 
    6368 Duplicate atom serial number found: 23002 
    6369 Duplicate atom serial number found: 23004 
    6370 Duplicate atom serial number found: 23006 
    6371 Duplicate atom serial number found: 23008 
    6372 Ignored bad PDB record found on line 81875 
    6373 ATOM 2300a OWS SOL W6955 -75.712 -30.358 -43.721 1.00 0.00 O 
    6374  
    6375 Ignored bad PDB record found on line 81876 
    6376 ATOM 2300c HWS SOL W6955 -76.452 -30.262 -44.320 1.00 0.00 H 
    6377  
    6378 Ignored bad PDB record found on line 81877 
    6379 ATOM 2300e HWS SOL W6955 -75.466 -29.460 -43.499 1.00 0.00 H 
    6380  
    6381 Duplicate atom serial number found: 23010 
    6382 Duplicate atom serial number found: 23012 
    6383 Duplicate atom serial number found: 23014 
    6384 Duplicate atom serial number found: 23016 
    6385 Duplicate atom serial number found: 23018 
    6386 Ignored bad PDB record found on line 81883 
    6387 ATOM 2301a HWS SOL W6957 -80.852 -41.622 -36.712 1.00 0.00 H 
    6388  
    6389 Ignored bad PDB record found on line 81884 
    6390 ATOM 2301c OWS SOL W6958 -84.755 -19.352 -21.929 1.00 0.00 O 
    6391  
    6392 Ignored bad PDB record found on line 81885 
    6393 ATOM 2301e HWS SOL W6958 -84.710 -19.488 -20.982 1.00 0.00 H 
    6394  
    6395 Duplicate atom serial number found: 23020 
    6396 Duplicate atom serial number found: 23022 
    6397 Duplicate atom serial number found: 23024 
    6398 Duplicate atom serial number found: 23026 
    6399 Duplicate atom serial number found: 23028 
    6400 Ignored bad PDB record found on line 81891 
    6401 ATOM 2302a HWS SOL W6961 90.117 -43.548 -33.645 1.00 0.00 H 
    6402  
    6403 Ignored bad PDB record found on line 81892 
    6404 ATOM 2302c HWS SOL W6961 89.857 -42.861 -34.969 1.00 0.00 H 
    6405  
    6406 Ignored bad PDB record found on line 81893 
    6407 ATOM 2302e OWS SOL W6962 -85.799 -18.844 -14.608 1.00 0.00 O 
    6408  
    6409 Duplicate atom serial number found: 23030 
    6410 Duplicate atom serial number found: 23032 
    6411 Duplicate atom serial number found: 23034 
    6412 Duplicate atom serial number found: 23036 
    6413 Duplicate atom serial number found: 23038 
    6414 Ignored bad PDB record found on line 81899 
    6415 ATOM 2303a OWS SOL W6964 88.505 -21.061 -46.290 1.00 0.00 O 
    6416  
    6417 Ignored bad PDB record found on line 81900 
    6418 ATOM 2303c HWS SOL W6964 88.786 -20.330 -46.840 1.00 0.00 H 
    6419  
    6420 Ignored bad PDB record found on line 81901 
    6421 ATOM 2303e HWS SOL W6964 88.839 -21.839 -46.736 1.00 0.00 H 
    6422  
    6423 Duplicate atom serial number found: 23040 
    6424 Duplicate atom serial number found: 23042 
    6425 Duplicate atom serial number found: 23044 
    6426 Duplicate atom serial number found: 23046 
    6427 Duplicate atom serial number found: 23048 
    6428 Ignored bad PDB record found on line 81907 
    6429 ATOM 2304a HWS SOL W6966 86.654 -39.943 -21.813 1.00 0.00 H 
    6430  
    6431 Ignored bad PDB record found on line 81908 
    6432 ATOM 2304c OWS SOL W6967 -79.512 -19.776 -22.471 1.00 0.00 O 
    6433  
    6434 Ignored bad PDB record found on line 81909 
    6435 ATOM 2304e HWS SOL W6967 -79.347 -19.875 -21.533 1.00 0.00 H 
    6436  
    6437 Duplicate atom serial number found: 23050 
    6438 Duplicate atom serial number found: 23052 
    6439 Duplicate atom serial number found: 23054 
    6440 Duplicate atom serial number found: 23056 
    6441 Duplicate atom serial number found: 23058 
    6442 Ignored bad PDB record found on line 81915 
    6443 ATOM 2305a HWS SOL W6969 83.395 -22.658 -37.032 1.00 0.00 H 
    6444  
    6445 Ignored bad PDB record found on line 81916 
    6446 ATOM 2305c HWS SOL W6969 83.130 -22.427 -38.505 1.00 0.00 H 
    6447  
    6448 Ignored bad PDB record found on line 81917 
    6449 ATOM 2305e OWS SOL W6970 -88.689 -5.519 -15.783 1.00 0.00 O 
    6450  
    6451 Duplicate atom serial number found: 23060 
    6452 Duplicate atom serial number found: 23062 
    6453 Duplicate atom serial number found: 23064 
    6454 Duplicate atom serial number found: 23066 
    6455 Duplicate atom serial number found: 23068 
    6456 Ignored bad PDB record found on line 81923 
    6457 ATOM 2306a OWS SOL W6972 -80.572 -51.849 -18.505 1.00 0.00 O 
    6458  
    6459 Ignored bad PDB record found on line 81924 
    6460 ATOM 2306c HWS SOL W6972 -80.758 -52.560 -17.891 1.00 0.00 H 
    6461  
    6462 Ignored bad PDB record found on line 81925 
    6463 ATOM 2306e HWS SOL W6972 -81.326 -51.838 -19.095 1.00 0.00 H 
    6464  
    6465 Duplicate atom serial number found: 23070 
    6466 Duplicate atom serial number found: 23072 
    6467 Duplicate atom serial number found: 23074 
    6468 Duplicate atom serial number found: 23076 
    6469 Duplicate atom serial number found: 23078 
    6470 Ignored bad PDB record found on line 81931 
    6471 ATOM 2307a HWS SOL W6974 -68.914 -12.216 -41.520 1.00 0.00 H 
    6472  
    6473 Ignored bad PDB record found on line 81932 
    6474 ATOM 2307c OWS SOL W6975 -89.340 -13.555 -34.892 1.00 0.00 O 
    6475  
    6476 Ignored bad PDB record found on line 81933 
    6477 ATOM 2307e HWS SOL W6975 -90.241 -13.234 -34.908 1.00 0.00 H 
    6478  
    6479 Duplicate atom serial number found: 23080 
    6480 Duplicate atom serial number found: 23082 
    6481 Duplicate atom serial number found: 23084 
    6482 Duplicate atom serial number found: 23086 
    6483 Duplicate atom serial number found: 23088 
    6484 Ignored bad PDB record found on line 81939 
    6485 ATOM 2308a HWS SOL W6977 -84.975 -51.256 -20.267 1.00 0.00 H 
    6486  
    6487 Ignored bad PDB record found on line 81940 
    6488 ATOM 2308c HWS SOL W6977 -86.429 -51.114 -20.665 1.00 0.00 H 
    6489  
    6490 Ignored bad PDB record found on line 81941 
    6491 ATOM 2308e OWS SOL W6978 -56.777 -43.456 -32.108 1.00 0.00 O 
    6492  
    6493 Duplicate atom serial number found: 23090 
    6494 Duplicate atom serial number found: 23092 
    6495 Duplicate atom serial number found: 23094 
    6496 Duplicate atom serial number found: 23096 
    6497 Duplicate atom serial number found: 23098 
    6498 Ignored bad PDB record found on line 81947 
    6499 ATOM 2309a OWS SOL W6980 -47.676 -11.962 -0.352 1.00 0.00 O 
    6500  
    6501 Ignored bad PDB record found on line 81948 
    6502 ATOM 2309c HWS SOL W6980 -47.306 -12.839 -0.253 1.00 0.00 H 
    6503  
    6504 Ignored bad PDB record found on line 81949 
    6505 ATOM 2309e HWS SOL W6980 -47.277 -11.621 -1.152 1.00 0.00 H 
    6506  
    6507 Ignored bad PDB record found on line 81950 
    6508 ATOM 230a0 OWS SOL W6981 -84.927 -44.127 -36.003 1.00 0.00 O 
    6509  
    6510 Ignored bad PDB record found on line 81951 
    6511 ATOM 230a2 HWS SOL W6981 -84.225 -43.756 -36.538 1.00 0.00 H 
    6512  
    6513 46 messages similar to the above omitted 
    6514 Duplicate atom serial number found: 23100 
    6515 Duplicate atom serial number found: 23102 
    6516 Duplicate atom serial number found: 23104 
    6517 Duplicate atom serial number found: 23106 
    6518 Duplicate atom serial number found: 23108 
    6519 Ignored bad PDB record found on line 82003 
    6520 ATOM 2310a HWS SOL W6998 -81.803 -19.501 -27.783 1.00 0.00 H 
    6521  
    6522 Ignored bad PDB record found on line 82004 
    6523 ATOM 2310c OWS SOL W6999 -70.347 -6.756 -35.972 1.00 0.00 O 
    6524  
    6525 Ignored bad PDB record found on line 82005 
    6526 ATOM 2310e HWS SOL W6999 -69.683 -6.872 -35.293 1.00 0.00 H 
    6527  
    6528 Duplicate atom serial number found: 23110 
    6529 Duplicate atom serial number found: 23112 
    6530 Duplicate atom serial number found: 23114 
    6531 Duplicate atom serial number found: 23116 
    6532 Duplicate atom serial number found: 23118 
    6533 Ignored bad PDB record found on line 82011 
    6534 ATOM 2311a HWS SOL W7001 -72.576 -14.208 -23.194 1.00 0.00 H 
    6535  
    6536 Ignored bad PDB record found on line 82012 
    6537 ATOM 2311c HWS SOL W7001 -72.507 -13.951 -21.703 1.00 0.00 H 
    6538  
    6539 Ignored bad PDB record found on line 82013 
    6540 ATOM 2311e OWS SOL W7002 -75.199 -32.712 -33.085 1.00 0.00 O 
    6541  
    6542 Duplicate atom serial number found: 23120 
    6543 Duplicate atom serial number found: 23122 
    6544 Duplicate atom serial number found: 23124 
    6545 Duplicate atom serial number found: 23126 
    6546 Duplicate atom serial number found: 23128 
    6547 Ignored bad PDB record found on line 82019 
    6548 ATOM 2312a OWS SOL W7004 -84.868 -13.080 -13.092 1.00 0.00 O 
    6549  
    6550 Ignored bad PDB record found on line 82020 
    6551 ATOM 2312c HWS SOL W7004 -84.090 -13.593 -12.873 1.00 0.00 H 
    6552  
    6553 Ignored bad PDB record found on line 82021 
    6554 ATOM 2312e HWS SOL W7004 -84.776 -12.276 -12.581 1.00 0.00 H 
    6555  
    6556 Duplicate atom serial number found: 23130 
    6557 Duplicate atom serial number found: 23132 
    6558 Duplicate atom serial number found: 23134 
    6559 Duplicate atom serial number found: 23136 
    6560 Duplicate atom serial number found: 23138 
    6561 Ignored bad PDB record found on line 82027 
    6562 ATOM 2313a HWS SOL W7006 -68.457 -44.084 -34.798 1.00 0.00 H 
    6563  
    6564 Ignored bad PDB record found on line 82028 
    6565 ATOM 2313c OWS SOL W7007 -79.011 -58.420 -19.484 1.00 0.00 O 
    6566  
    6567 Ignored bad PDB record found on line 82029 
    6568 ATOM 2313e HWS SOL W7007 -79.101 -59.356 -19.665 1.00 0.00 H 
    6569  
    6570 Duplicate atom serial number found: 23140 
    6571 Duplicate atom serial number found: 23142 
    6572 Duplicate atom serial number found: 23144 
    6573 Duplicate atom serial number found: 23146 
    6574 Duplicate atom serial number found: 23148 
    6575 Ignored bad PDB record found on line 82035 
    6576 ATOM 2314a HWS SOL W7009 -74.462 -16.676 -33.157 1.00 0.00 H 
    6577  
    6578 Ignored bad PDB record found on line 82036 
    6579 ATOM 2314c HWS SOL W7009 -75.923 -16.455 -33.491 1.00 0.00 H 
    6580  
    6581 Ignored bad PDB record found on line 82037 
    6582 ATOM 2314e OWS SOL W7010 -77.132 -37.495 -49.850 1.00 0.00 O 
    6583  
    6584 Duplicate atom serial number found: 23150 
    6585 Duplicate atom serial number found: 23152 
    6586 Duplicate atom serial number found: 23154 
    6587 Duplicate atom serial number found: 23156 
    6588 Duplicate atom serial number found: 23158 
    6589 Ignored bad PDB record found on line 82043 
    6590 ATOM 2315a OWS SOL W7012 -75.638 -61.724 -22.545 1.00 0.00 O 
    6591  
    6592 Ignored bad PDB record found on line 82044 
    6593 ATOM 2315c HWS SOL W7012 -74.755 -61.675 -22.177 1.00 0.00 H 
    6594  
    6595 Ignored bad PDB record found on line 82045 
    6596 ATOM 2315e HWS SOL W7012 -76.010 -60.855 -22.392 1.00 0.00 H 
    6597  
    6598 Duplicate atom serial number found: 23160 
    6599 Duplicate atom serial number found: 23162 
    6600 Duplicate atom serial number found: 23164 
    6601 Duplicate atom serial number found: 23166 
    6602 Duplicate atom serial number found: 23168 
    6603 Ignored bad PDB record found on line 82051 
    6604 ATOM 2316a HWS SOL W7014 -74.917 -44.508 -15.829 1.00 0.00 H 
    6605  
    6606 Ignored bad PDB record found on line 82052 
    6607 ATOM 2316c OWS SOL W7015 -85.810 -33.058 -21.432 1.00 0.00 O 
    6608  
    6609 Ignored bad PDB record found on line 82053 
    6610 ATOM 2316e HWS SOL W7015 -85.644 -33.965 -21.177 1.00 0.00 H 
    6611  
    6612 Duplicate atom serial number found: 23170 
    6613 Duplicate atom serial number found: 23172 
    6614 Duplicate atom serial number found: 23174 
    6615 Duplicate atom serial number found: 23176 
    6616 Duplicate atom serial number found: 23178 
    6617 Ignored bad PDB record found on line 82059 
    6618 ATOM 2317a HWS SOL W7017 -84.345 -53.512 -13.819 1.00 0.00 H 
    6619  
    6620 Ignored bad PDB record found on line 82060 
    6621 ATOM 2317c HWS SOL W7017 -85.518 -54.449 -13.623 1.00 0.00 H 
    6622  
    6623 Ignored bad PDB record found on line 82061 
    6624 ATOM 2317e OWS SOL W7018 88.504 -11.761 -40.095 1.00 0.00 O 
    6625  
    6626 Duplicate atom serial number found: 23180 
    6627 Duplicate atom serial number found: 23182 
    6628 Duplicate atom serial number found: 23184 
    6629 Duplicate atom serial number found: 23186 
    6630 Duplicate atom serial number found: 23188 
    6631 Ignored bad PDB record found on line 82067 
    6632 ATOM 2318a OWS SOL W7020 -79.655 -34.287 -31.147 1.00 0.00 O 
    6633  
    6634 Ignored bad PDB record found on line 82068 
    6635 ATOM 2318c HWS SOL W7020 -78.977 -34.736 -30.642 1.00 0.00 H 
    6636  
    6637 Ignored bad PDB record found on line 82069 
    6638 ATOM 2318e HWS SOL W7020 -79.231 -34.070 -31.977 1.00 0.00 H 
    6639  
    6640 Duplicate atom serial number found: 23190 
    6641 Duplicate atom serial number found: 23192 
    6642 Duplicate atom serial number found: 23194 
    6643 Duplicate atom serial number found: 23196 
    6644 Duplicate atom serial number found: 23198 
    6645 Ignored bad PDB record found on line 82075 
    6646 ATOM 2319a HWS SOL W7022 -80.925 -15.778 -22.595 1.00 0.00 H 
    6647  
    6648 Ignored bad PDB record found on line 82076 
    6649 ATOM 2319c OWS SOL W7023 -86.217 -3.003 -35.473 1.00 0.00 O 
    6650  
    6651 Ignored bad PDB record found on line 82077 
    6652 ATOM 2319e HWS SOL W7023 -86.987 -3.118 -34.916 1.00 0.00 H 
    6653  
    6654 Ignored bad PDB record found on line 82078 
    6655 ATOM 231a0 HWS SOL W7023 -85.483 -2.951 -34.861 1.00 0.00 H 
    6656  
    6657 Ignored bad PDB record found on line 82079 
    6658 ATOM 231a2 OWS SOL W7024 -72.281 -35.812 -32.722 1.00 0.00 O 
    6659  
    6660 46 messages similar to the above omitted 
    6661 Duplicate atom serial number found: 23200 
    6662 Duplicate atom serial number found: 23202 
    6663 Duplicate atom serial number found: 23204 
    6664 Duplicate atom serial number found: 23206 
    6665 Duplicate atom serial number found: 23208 
    6666 Ignored bad PDB record found on line 82131 
    6667 ATOM 2320a HWS SOL W7041 -61.471 -46.419 -20.907 1.00 0.00 H 
    6668  
    6669 Ignored bad PDB record found on line 82132 
    6670 ATOM 2320c HWS SOL W7041 -60.012 -46.758 -21.130 1.00 0.00 H 
    6671  
    6672 Ignored bad PDB record found on line 82133 
    6673 ATOM 2320e OWS SOL W7042 -70.461 -34.452 -29.914 1.00 0.00 O 
    6674  
    6675 Duplicate atom serial number found: 23210 
    6676 Duplicate atom serial number found: 23212 
    6677 Duplicate atom serial number found: 23214 
    6678 Duplicate atom serial number found: 23216 
    6679 Duplicate atom serial number found: 23218 
    6680 Ignored bad PDB record found on line 82139 
    6681 ATOM 2321a OWS SOL W7044 -82.571 -43.569 -21.278 1.00 0.00 O 
    6682  
    6683 Ignored bad PDB record found on line 82140 
    6684 ATOM 2321c HWS SOL W7044 -82.768 -42.719 -21.670 1.00 0.00 H 
    6685  
    6686 Ignored bad PDB record found on line 82141 
    6687 ATOM 2321e HWS SOL W7044 -81.992 -43.366 -20.543 1.00 0.00 H 
    6688  
    6689 Duplicate atom serial number found: 23220 
    6690 Duplicate atom serial number found: 23222 
    6691 Duplicate atom serial number found: 23224 
    6692 Duplicate atom serial number found: 23226 
    6693 Duplicate atom serial number found: 23228 
    6694 Ignored bad PDB record found on line 82147 
    6695 ATOM 2322a HWS SOL W7046 -70.327 -41.555 -34.100 1.00 0.00 H 
    6696  
    6697 Ignored bad PDB record found on line 82148 
    6698 ATOM 2322c OWS SOL W7047 -69.111 -31.922 -25.878 1.00 0.00 O 
    6699  
    6700 Ignored bad PDB record found on line 82149 
    6701 ATOM 2322e HWS SOL W7047 -69.500 -32.598 -25.323 1.00 0.00 H 
    6702  
    6703 Duplicate atom serial number found: 23230 
    6704 Duplicate atom serial number found: 23232 
    6705 Duplicate atom serial number found: 23234 
    6706 Duplicate atom serial number found: 23236 
    6707 Duplicate atom serial number found: 23238 
    6708 Ignored bad PDB record found on line 82155 
    6709 ATOM 2323a HWS SOL W7049 -88.706 -38.294 -17.754 1.00 0.00 H 
    6710  
    6711 Ignored bad PDB record found on line 82156 
    6712 ATOM 2323c HWS SOL W7049 -88.432 -38.548 -19.221 1.00 0.00 H 
    6713  
    6714 Ignored bad PDB record found on line 82157 
    6715 ATOM 2323e OWS SOL W7050 -74.852 -7.081 -41.731 1.00 0.00 O 
    6716  
    6717 Duplicate atom serial number found: 23240 
    6718 Duplicate atom serial number found: 23242 
    6719 Duplicate atom serial number found: 23244 
    6720 Duplicate atom serial number found: 23246 
    6721 Duplicate atom serial number found: 23248 
    6722 Ignored bad PDB record found on line 82163 
    6723 ATOM 2324a OWS SOL W7053 -75.621 -18.588 -18.707 1.00 0.00 O 
    6724  
    6725 Ignored bad PDB record found on line 82164 
    6726 ATOM 2324c HWS SOL W7053 -76.293 -18.429 -18.044 1.00 0.00 H 
    6727  
    6728 Ignored bad PDB record found on line 82165 
    6729 ATOM 2324e HWS SOL W7053 -75.081 -17.798 -18.695 1.00 0.00 H 
    6730  
    6731 Duplicate atom serial number found: 23250 
    6732 Duplicate atom serial number found: 23252 
    6733 Duplicate atom serial number found: 23254 
    6734 Duplicate atom serial number found: 23256 
    6735 Duplicate atom serial number found: 23258 
    6736 Ignored bad PDB record found on line 82171 
    6737 ATOM 2325a HWS SOL W7055 -83.758 -16.955 -45.224 1.00 0.00 H 
    6738  
    6739 Ignored bad PDB record found on line 82172 
    6740 ATOM 2325c OWS SOL W7056 87.292 -35.420 -9.470 1.00 0.00 O 
    6741  
    6742 Ignored bad PDB record found on line 82173 
    6743 ATOM 2325e HWS SOL W7056 87.761 -34.931 -8.793 1.00 0.00 H 
    6744  
    6745 Duplicate atom serial number found: 23260 
    6746 Duplicate atom serial number found: 23262 
    6747 Duplicate atom serial number found: 23264 
    6748 Duplicate atom serial number found: 23266 
    6749 Duplicate atom serial number found: 23268 
    6750 Ignored bad PDB record found on line 82179 
    6751 ATOM 2326a HWS SOL W7058 -78.342 -47.125 -61.331 1.00 0.00 H 
    6752  
    6753 Ignored bad PDB record found on line 82180 
    6754 ATOM 2326c HWS SOL W7058 -77.534 -46.603 -60.162 1.00 0.00 H 
    6755  
    6756 Ignored bad PDB record found on line 82181 
    6757 ATOM 2326e OWS SOL W7059 -78.575 -23.984 -32.362 1.00 0.00 O 
    6758  
    6759 Duplicate atom serial number found: 23270 
    6760 Duplicate atom serial number found: 23272 
    6761 Duplicate atom serial number found: 23274 
    6762 Duplicate atom serial number found: 23276 
    6763 Duplicate atom serial number found: 23278 
    6764 Ignored bad PDB record found on line 82187 
    6765 ATOM 2327a OWS SOL W7061 89.355 -14.989 -21.366 1.00 0.00 O 
    6766  
    6767 Ignored bad PDB record found on line 82188 
    6768 ATOM 2327c HWS SOL W7061 90.224 -14.663 -21.134 1.00 0.00 H 
    6769  
    6770 Ignored bad PDB record found on line 82189 
    6771 ATOM 2327e HWS SOL W7061 88.995 -15.320 -20.543 1.00 0.00 H 
    6772  
    6773 Duplicate atom serial number found: 23280 
    6774 Duplicate atom serial number found: 23282 
    6775 Duplicate atom serial number found: 23284 
    6776 Duplicate atom serial number found: 23286 
    6777 Duplicate atom serial number found: 23288 
    6778 Ignored bad PDB record found on line 82195 
    6779 ATOM 2328a HWS SOL W7063 -83.331 -35.025 -14.140 1.00 0.00 H 
    6780  
    6781 Ignored bad PDB record found on line 82196 
    6782 ATOM 2328c OWS SOL W7064 -72.718 -17.258 -29.436 1.00 0.00 O 
    6783  
    6784 Ignored bad PDB record found on line 82197 
    6785 ATOM 2328e HWS SOL W7064 -72.504 -18.151 -29.166 1.00 0.00 H 
    6786  
    6787 Duplicate atom serial number found: 23290 
    6788 Duplicate atom serial number found: 23292 
    6789 Duplicate atom serial number found: 23294 
    6790 Duplicate atom serial number found: 23296 
    6791 Duplicate atom serial number found: 23298 
    6792 Ignored bad PDB record found on line 82203 
    6793 ATOM 2329a HWS SOL W7066 -65.981 -39.630 -37.093 1.00 0.00 H 
    6794  
    6795 Ignored bad PDB record found on line 82204 
    6796 ATOM 2329c HWS SOL W7066 -66.936 -40.773 -36.825 1.00 0.00 H 
    6797  
    6798 Ignored bad PDB record found on line 82205 
    6799 ATOM 2329e OWS SOL W7067 -85.840 -12.065 -19.275 1.00 0.00 O 
    6800  
    6801 Ignored bad PDB record found on line 82206 
    6802 ATOM 232a0 HWS SOL W7067 -86.255 -12.827 -18.871 1.00 0.00 H 
    6803  
    6804 Ignored bad PDB record found on line 82207 
    6805 ATOM 232a2 HWS SOL W7067 -86.500 -11.723 -19.878 1.00 0.00 H 
    6806  
    6807 46 messages similar to the above omitted 
    6808 Duplicate atom serial number found: 23300 
    6809 Duplicate atom serial number found: 23302 
    6810 Duplicate atom serial number found: 23304 
    6811 Duplicate atom serial number found: 23306 
    6812 Duplicate atom serial number found: 23308 
    6813 Ignored bad PDB record found on line 82259 
    6814 ATOM 2330a OWS SOL W7085 81.122 -15.009 -16.183 1.00 0.00 O 
    6815  
    6816 Ignored bad PDB record found on line 82260 
    6817 ATOM 2330c HWS SOL W7085 80.323 -14.754 -16.644 1.00 0.00 H 
    6818  
    6819 Ignored bad PDB record found on line 82261 
    6820 ATOM 2330e HWS SOL W7085 81.220 -14.353 -15.493 1.00 0.00 H 
    6821  
    6822 Duplicate atom serial number found: 23310 
    6823 Duplicate atom serial number found: 23312 
    6824 Duplicate atom serial number found: 23314 
    6825 Duplicate atom serial number found: 23316 
    6826 Duplicate atom serial number found: 23318 
    6827 Ignored bad PDB record found on line 82267 
    6828 ATOM 2331a HWS SOL W7087 -82.837 -48.855 -30.241 1.00 0.00 H 
    6829  
    6830 Ignored bad PDB record found on line 82268 
    6831 ATOM 2331c OWS SOL W7088 -72.879 -41.908 -18.778 1.00 0.00 O 
    6832  
    6833 Ignored bad PDB record found on line 82269 
    6834 ATOM 2331e HWS SOL W7088 -72.235 -42.415 -18.283 1.00 0.00 H 
    6835  
    6836 Duplicate atom serial number found: 23320 
    6837 Duplicate atom serial number found: 23322 
    6838 Duplicate atom serial number found: 23324 
    6839 Duplicate atom serial number found: 23326 
    6840 Duplicate atom serial number found: 23328 
    6841 Ignored bad PDB record found on line 82275 
    6842 ATOM 2332a HWS SOL W7090 -61.392 -39.052 -25.762 1.00 0.00 H 
    6843  
    6844 Ignored bad PDB record found on line 82276 
    6845 ATOM 2332c HWS SOL W7090 -60.144 -38.257 -25.446 1.00 0.00 H 
    6846  
    6847 Ignored bad PDB record found on line 82277 
    6848 ATOM 2332e OWS SOL W7091 -78.443 -22.449 -26.031 1.00 0.00 O 
    6849  
    6850 Duplicate atom serial number found: 23330 
    6851 Duplicate atom serial number found: 23332 
    6852 Duplicate atom serial number found: 23334 
    6853 Duplicate atom serial number found: 23336 
    6854 Duplicate atom serial number found: 23338 
    6855 Ignored bad PDB record found on line 82283 
    6856 ATOM 2333a OWS SOL W7093 -84.379 4.099 -31.020 1.00 0.00 O 
    6857  
    6858 Ignored bad PDB record found on line 82284 
    6859 ATOM 2333c HWS SOL W7093 -84.685 4.167 -31.924 1.00 0.00 H 
    6860  
    6861 Ignored bad PDB record found on line 82285 
    6862 ATOM 2333e HWS SOL W7093 -85.092 3.657 -30.558 1.00 0.00 H 
    6863  
    6864 Duplicate atom serial number found: 23340 
    6865 Duplicate atom serial number found: 23342 
    6866 Duplicate atom serial number found: 23344 
    6867 Duplicate atom serial number found: 23346 
    6868 Duplicate atom serial number found: 23348 
    6869 Ignored bad PDB record found on line 82291 
    6870 ATOM 2334a HWS SOL W7095 75.491 -32.175 -41.342 1.00 0.00 H 
    6871  
    6872 Ignored bad PDB record found on line 82292 
    6873 ATOM 2334c OWS SOL W7096 -63.240 -34.189 -24.585 1.00 0.00 O 
    6874  
    6875 Ignored bad PDB record found on line 82293 
    6876 ATOM 2334e HWS SOL W7096 -62.888 -35.041 -24.327 1.00 0.00 H 
    6877  
    6878 Duplicate atom serial number found: 23350 
    6879 Duplicate atom serial number found: 23352 
    6880 Duplicate atom serial number found: 23354 
    6881 Duplicate atom serial number found: 23356 
    6882 Duplicate atom serial number found: 23358 
    6883 Ignored bad PDB record found on line 82299 
    6884 ATOM 2335a HWS SOL W7098 -89.047 -20.733 -29.375 1.00 0.00 H 
    6885  
    6886 Ignored bad PDB record found on line 82300 
    6887 ATOM 2335c HWS SOL W7098 -89.977 -21.397 -28.381 1.00 0.00 H 
    6888  
    6889 Ignored bad PDB record found on line 82301 
    6890 ATOM 2335e OWS SOL W7100 -75.025 -16.718 -22.201 1.00 0.00 O 
    6891  
    6892 Duplicate atom serial number found: 23360 
    6893 Duplicate atom serial number found: 23362 
    6894 Duplicate atom serial number found: 23364 
    6895 Duplicate atom serial number found: 23366 
    6896 Duplicate atom serial number found: 23368 
    6897 Ignored bad PDB record found on line 82307 
    6898 ATOM 2336a OWS SOL W7102 -78.995 -24.270 -9.186 1.00 0.00 O 
    6899  
    6900 Ignored bad PDB record found on line 82308 
    6901 ATOM 2336c HWS SOL W7102 -78.205 -24.339 -9.723 1.00 0.00 H 
    6902  
    6903 Ignored bad PDB record found on line 82309 
    6904 ATOM 2336e HWS SOL W7102 -79.412 -23.459 -9.475 1.00 0.00 H 
    6905  
    6906 Duplicate atom serial number found: 23370 
    6907 Duplicate atom serial number found: 23372 
    6908 Duplicate atom serial number found: 23374 
    6909 Duplicate atom serial number found: 23376 
    6910 Duplicate atom serial number found: 23378 
    6911 Ignored bad PDB record found on line 82315 
    6912 ATOM 2337a HWS SOL W7104 90.227 -14.256 -40.686 1.00 0.00 H 
    6913  
    6914 Ignored bad PDB record found on line 82316 
    6915 ATOM 2337c OWS SOL W7105 89.565 -19.449 -41.211 1.00 0.00 O 
    6916  
    6917 Ignored bad PDB record found on line 82317 
    6918 ATOM 2337e HWS SOL W7105 90.381 -19.661 -40.758 1.00 0.00 H 
    6919  
    6920 Duplicate atom serial number found: 23380 
    6921 Duplicate atom serial number found: 23382 
    6922 Duplicate atom serial number found: 23384 
    6923 Duplicate atom serial number found: 23386 
    6924 Duplicate atom serial number found: 23388 
    6925 Ignored bad PDB record found on line 82323 
    6926 ATOM 2338a HWS SOL W7107 -54.779 -45.620 -31.927 1.00 0.00 H 
    6927  
    6928 Ignored bad PDB record found on line 82324 
    6929 ATOM 2338c HWS SOL W7107 -56.084 -45.121 -32.509 1.00 0.00 H 
    6930  
    6931 Ignored bad PDB record found on line 82325 
    6932 ATOM 2338e OWS SOL W7108 -68.881 -42.363 -34.594 1.00 0.00 O 
    6933  
    6934 Duplicate atom serial number found: 23390 
    6935 Duplicate atom serial number found: 23392 
    6936 Duplicate atom serial number found: 23394 
    6937 Duplicate atom serial number found: 23396 
    6938 Duplicate atom serial number found: 23398 
    6939 Ignored bad PDB record found on line 82331 
    6940 ATOM 2339a OWS SOL W7110 -60.770 -16.094 -20.582 1.00 0.00 O 
    6941  
    6942 Ignored bad PDB record found on line 82332 
    6943 ATOM 2339c HWS SOL W7110 -61.041 -15.847 -21.466 1.00 0.00 H 
    6944  
    6945 Ignored bad PDB record found on line 82333 
    6946 ATOM 2339e HWS SOL W7110 -60.728 -15.265 -20.104 1.00 0.00 H 
    6947  
    6948 Ignored bad PDB record found on line 82334 
    6949 ATOM 233a0 OWS SOL W7111 84.763 -9.638 -39.541 1.00 0.00 O 
    6950  
    6951 Ignored bad PDB record found on line 82335 
    6952 ATOM 233a2 HWS SOL W7111 84.933 -10.136 -40.341 1.00 0.00 H 
    6953  
    6954 46 messages similar to the above omitted 
    6955 Duplicate atom serial number found: 23400 
    6956 Duplicate atom serial number found: 23402 
    6957 Duplicate atom serial number found: 23404 
    6958 Duplicate atom serial number found: 23406 
    6959 Duplicate atom serial number found: 23408 
    6960 Ignored bad PDB record found on line 82387 
    6961 ATOM 2340a HWS SOL W7129 -66.581 -40.255 -26.675 1.00 0.00 H 
    6962  
    6963 Ignored bad PDB record found on line 82388 
    6964 ATOM 2340c OWS SOL W7130 -52.182 -29.529 -20.139 1.00 0.00 O 
    6965  
    6966 Ignored bad PDB record found on line 82389 
    6967 ATOM 2340e HWS SOL W7130 -52.136 -28.953 -19.376 1.00 0.00 H 
    6968  
    6969 Duplicate atom serial number found: 23410 
    6970 Duplicate atom serial number found: 23412 
    6971 Duplicate atom serial number found: 23414 
    6972 Duplicate atom serial number found: 23416 
    6973 Duplicate atom serial number found: 23418 
    6974 Ignored bad PDB record found on line 82395 
    6975 ATOM 2341a HWS SOL W7132 -83.171 -16.963 -14.944 1.00 0.00 H 
    6976  
    6977 Ignored bad PDB record found on line 82396 
    6978 ATOM 2341c HWS SOL W7132 -83.620 -17.096 -16.383 1.00 0.00 H 
    6979  
    6980 Ignored bad PDB record found on line 82397 
    6981 ATOM 2341e OWS SOL W7133 -82.068 -38.362 -26.522 1.00 0.00 O 
    6982  
    6983 Duplicate atom serial number found: 23420 
    6984 Duplicate atom serial number found: 23422 
    6985 Duplicate atom serial number found: 23424 
    6986 Duplicate atom serial number found: 23426 
    6987 Duplicate atom serial number found: 23428 
    6988 Ignored bad PDB record found on line 82403 
    6989 ATOM 2342a OWS SOL W7135 -88.522 -48.443 -31.549 1.00 0.00 O 
    6990  
    6991 Ignored bad PDB record found on line 82404 
    6992 ATOM 2342c HWS SOL W7135 -89.270 -48.605 -30.975 1.00 0.00 H 
    6993  
    6994 Ignored bad PDB record found on line 82405 
    6995 ATOM 2342e HWS SOL W7135 -87.780 -48.339 -30.954 1.00 0.00 H 
    6996  
    6997 Duplicate atom serial number found: 23430 
    6998 Duplicate atom serial number found: 23432 
    6999 Duplicate atom serial number found: 23434 
    7000 Duplicate atom serial number found: 23436 
    7001 Duplicate atom serial number found: 23438 
    7002 Ignored bad PDB record found on line 82411 
    7003 ATOM 2343a HWS SOL W7137 -77.305 -36.476 -22.398 1.00 0.00 H 
    7004  
    7005 Ignored bad PDB record found on line 82412 
    7006 ATOM 2343c OWS SOL W7138 -74.754 -26.902 -37.816 1.00 0.00 O 
    7007  
    7008 Ignored bad PDB record found on line 82413 
    7009 ATOM 2343e HWS SOL W7138 -75.185 -26.460 -37.084 1.00 0.00 H 
    7010  
    7011 Duplicate atom serial number found: 23440 
    7012 Duplicate atom serial number found: 23442 
    7013 Duplicate atom serial number found: 23444 
    7014 Duplicate atom serial number found: 23446 
    7015 Duplicate atom serial number found: 23448 
    7016 Ignored bad PDB record found on line 82419 
    7017 ATOM 2344a HWS SOL W7140 -58.902 -52.141 -39.872 1.00 0.00 H 
    7018  
    7019 Ignored bad PDB record found on line 82420 
    7020 ATOM 2344c HWS SOL W7140 -60.262 -52.434 -40.470 1.00 0.00 H 
    7021  
    7022 Ignored bad PDB record found on line 82421 
    7023 ATOM 2344e OWS SOL W7141 -77.403 -33.822 -21.611 1.00 0.00 O 
    7024  
    7025 Duplicate atom serial number found: 23450 
    7026 Duplicate atom serial number found: 23452 
    7027 Duplicate atom serial number found: 23454 
    7028 Duplicate atom serial number found: 23456 
    7029 Duplicate atom serial number found: 23458 
    7030 Ignored bad PDB record found on line 82427 
    7031 ATOM 2345a OWS SOL W7143 -81.288 -36.106 -34.762 1.00 0.00 O 
    7032  
    7033 Ignored bad PDB record found on line 82428 
    7034 ATOM 2345c HWS SOL W7143 -81.478 -35.496 -34.050 1.00 0.00 H 
    7035  
    7036 Ignored bad PDB record found on line 82429 
    7037 ATOM 2345e HWS SOL W7143 -80.353 -36.296 -34.674 1.00 0.00 H 
    7038  
    7039 Duplicate atom serial number found: 23460 
    7040 Duplicate atom serial number found: 23462 
    7041 Duplicate atom serial number found: 23464 
    7042 Duplicate atom serial number found: 23466 
    7043 Duplicate atom serial number found: 23468 
    7044 Ignored bad PDB record found on line 82435 
    7045 ATOM 2346a HWS SOL W7145 -51.840 -41.495 -24.263 1.00 0.00 H 
    7046  
    7047 Ignored bad PDB record found on line 82436 
    7048 ATOM 2346c OWS SOL W7146 -73.528 -6.212 -16.104 1.00 0.00 O 
    7049  
    7050 Ignored bad PDB record found on line 82437 
    7051 ATOM 2346e HWS SOL W7146 -74.362 -6.582 -16.395 1.00 0.00 H 
    7052  
    7053 Duplicate atom serial number found: 23470 
    7054 Duplicate atom serial number found: 23472 
    7055 Duplicate atom serial number found: 23474 
    7056 Duplicate atom serial number found: 23476 
    7057 Duplicate atom serial number found: 23478 
    7058 Ignored bad PDB record found on line 82443 
    7059 ATOM 2347a HWS SOL W7148 84.333 -45.548 -28.484 1.00 0.00 H 
    7060  
    7061 Ignored bad PDB record found on line 82444 
    7062 ATOM 2347c HWS SOL W7148 84.835 -45.883 -29.873 1.00 0.00 H 
    7063  
    7064 Ignored bad PDB record found on line 82445 
    7065 ATOM 2347e OWS SOL W7149 -82.023 -44.876 -40.440 1.00 0.00 O 
    7066  
    7067 Duplicate atom serial number found: 23480 
    7068 Duplicate atom serial number found: 23482 
    7069 Duplicate atom serial number found: 23484 
    7070 Duplicate atom serial number found: 23486 
    7071 Duplicate atom serial number found: 23488 
    7072 Ignored bad PDB record found on line 82451 
    7073 ATOM 2348a OWS SOL W7151 -60.863 -44.732 -45.114 1.00 0.00 O 
    7074  
    7075 Ignored bad PDB record found on line 82452 
    7076 ATOM 2348c HWS SOL W7151 -60.288 -44.340 -44.456 1.00 0.00 H 
    7077  
    7078 Ignored bad PDB record found on line 82453 
    7079 ATOM 2348e HWS SOL W7151 -61.715 -44.324 -44.961 1.00 0.00 H 
    7080  
    7081 Duplicate atom serial number found: 23490 
    7082 Duplicate atom serial number found: 23492 
    7083 Duplicate atom serial number found: 23494 
    7084 Duplicate atom serial number found: 23496 
    7085 Duplicate atom serial number found: 23498 
    7086 Ignored bad PDB record found on line 82459 
    7087 ATOM 2349a HWS SOL W7153 -62.536 -37.355 -23.951 1.00 0.00 H 
    7088  
    7089 Ignored bad PDB record found on line 82460 
    7090 ATOM 2349c OWS SOL W7154 -84.885 -28.083 -25.111 1.00 0.00 O 
    7091  
    7092 Ignored bad PDB record found on line 82461 
    7093 ATOM 2349e HWS SOL W7154 -83.968 -28.183 -25.369 1.00 0.00 H 
    7094  
    7095 Ignored bad PDB record found on line 82462 
    7096 ATOM 234a0 HWS SOL W7154 -84.952 -27.177 -24.810 1.00 0.00 H 
    7097  
    7098 Ignored bad PDB record found on line 82463 
    7099 ATOM 234a2 OWS SOL W7155 -80.282 -9.117 -39.700 1.00 0.00 O 
    7100  
    7101 46 messages similar to the above omitted 
    7102 Duplicate atom serial number found: 23500 
    7103 Duplicate atom serial number found: 23502 
    7104 Duplicate atom serial number found: 23504 
    7105 Duplicate atom serial number found: 23506 
    7106 Duplicate atom serial number found: 23508 
    7107 Ignored bad PDB record found on line 82515 
    7108 ATOM 2350a HWS SOL W7172 -86.893 -11.243 -47.591 1.00 0.00 H 
    7109  
    7110 Ignored bad PDB record found on line 82516 
    7111 ATOM 2350c HWS SOL W7172 -86.449 -9.810 -47.798 1.00 0.00 H 
    7112  
    7113 Ignored bad PDB record found on line 82517 
    7114 ATOM 2350e OWS SOL W7173 86.621 -10.630 -17.384 1.00 0.00 O 
    7115  
    7116 Duplicate atom serial number found: 23510 
    7117 Duplicate atom serial number found: 23512 
    7118 Duplicate atom serial number found: 23514 
    7119 Duplicate atom serial number found: 23516 
    7120 Duplicate atom serial number found: 23518 
    7121 Ignored bad PDB record found on line 82523 
    7122 ATOM 2351a OWS SOL W7175 -71.215 -34.017 -21.945 1.00 0.00 O 
    7123  
    7124 Ignored bad PDB record found on line 82524 
    7125 ATOM 2351c HWS SOL W7175 -71.377 -34.959 -21.904 1.00 0.00 H 
    7126  
    7127 Ignored bad PDB record found on line 82525 
    7128 ATOM 2351e HWS SOL W7175 -71.613 -33.670 -21.147 1.00 0.00 H 
    7129  
    7130 Duplicate atom serial number found: 23520 
    7131 Duplicate atom serial number found: 23522 
    7132 Duplicate atom serial number found: 23524 
    7133 Duplicate atom serial number found: 23526 
    7134 Duplicate atom serial number found: 23528 
    7135 Ignored bad PDB record found on line 82531 
    7136 ATOM 2352a HWS SOL W7177 -87.416 -13.405 -11.506 1.00 0.00 H 
    7137  
    7138 Ignored bad PDB record found on line 82532 
    7139 ATOM 2352c OWS SOL W7178 -79.937 -11.035 -42.587 1.00 0.00 O 
    7140  
    7141 Ignored bad PDB record found on line 82533 
    7142 ATOM 2352e HWS SOL W7178 -80.799 -10.637 -42.707 1.00 0.00 H 
    7143  
    7144 Duplicate atom serial number found: 23530 
    7145 Duplicate atom serial number found: 23532 
    7146 Duplicate atom serial number found: 23534 
    7147 Duplicate atom serial number found: 23536 
    7148 Duplicate atom serial number found: 23538 
    7149 Ignored bad PDB record found on line 82539 
    7150 ATOM 2353a HWS SOL W7180 -59.170 -40.451 -25.472 1.00 0.00 H 
    7151  
    7152 Ignored bad PDB record found on line 82540 
    7153 ATOM 2353c HWS SOL W7180 -59.038 -41.776 -24.752 1.00 0.00 H 
    7154  
    7155 Ignored bad PDB record found on line 82541 
    7156 ATOM 2353e OWS SOL W7181 -76.076 -43.085 -17.570 1.00 0.00 O 
    7157  
    7158 Duplicate atom serial number found: 23540 
    7159 Duplicate atom serial number found: 23542 
    7160 Duplicate atom serial number found: 23544 
    7161 Duplicate atom serial number found: 23546 
    7162 Duplicate atom serial number found: 23548 
    7163 Ignored bad PDB record found on line 82547 
    7164 ATOM 2354a OWS SOL W7183 -69.361 -39.055 -31.438 1.00 0.00 O 
    7165  
    7166 Ignored bad PDB record found on line 82548 
    7167 ATOM 2354c HWS SOL W7183 -69.811 -39.643 -30.832 1.00 0.00 H 
    7168  
    7169 Ignored bad PDB record found on line 82549 
    7170 ATOM 2354e HWS SOL W7183 -70.038 -38.785 -32.059 1.00 0.00 H 
    7171  
    7172 Duplicate atom serial number found: 23550 
    7173 Duplicate atom serial number found: 23552 
    7174 Duplicate atom serial number found: 23554 
    7175 Duplicate atom serial number found: 23556 
    7176 Duplicate atom serial number found: 23558 
    7177 Ignored bad PDB record found on line 82555 
    7178 ATOM 2355a HWS SOL W7185 83.313 -22.050 -8.674 1.00 0.00 H 
    7179  
    7180 Ignored bad PDB record found on line 82556 
    7181 ATOM 2355c OWS SOL W7186 -71.676 -12.790 -16.711 1.00 0.00 O 
    7182  
    7183 Ignored bad PDB record found on line 82557 
    7184 ATOM 2355e HWS SOL W7186 -71.843 -13.722 -16.850 1.00 0.00 H 
    7185  
    7186 Duplicate atom serial number found: 23560 
    7187 Duplicate atom serial number found: 23562 
    7188 Duplicate atom serial number found: 23564 
    7189 Duplicate atom serial number found: 23566 
    7190 Duplicate atom serial number found: 23568 
    7191 Ignored bad PDB record found on line 82563 
    7192 ATOM 2356a HWS SOL W7188 -84.689 -30.960 -50.911 1.00 0.00 H 
    7193  
    7194 Ignored bad PDB record found on line 82564 
    7195 ATOM 2356c HWS SOL W7188 -85.455 -29.663 -50.768 1.00 0.00 H 
    7196  
    7197 Ignored bad PDB record found on line 82565 
    7198 ATOM 2356e OWS SOL W7189 -81.646 -25.321 -35.709 1.00 0.00 O 
    7199  
    7200 Duplicate atom serial number found: 23570 
    7201 Duplicate atom serial number found: 23572 
    7202 Duplicate atom serial number found: 23574 
    7203 Duplicate atom serial number found: 23576 
    7204 Duplicate atom serial number found: 23578 
    7205 Ignored bad PDB record found on line 82571 
    7206 ATOM 2357a OWS SOL W7191 -70.660 -37.693 -19.738 1.00 0.00 O 
    7207  
    7208 Ignored bad PDB record found on line 82572 
    7209 ATOM 2357c HWS SOL W7191 -70.460 -38.247 -18.984 1.00 0.00 H 
    7210  
    7211 Ignored bad PDB record found on line 82573 
    7212 ATOM 2357e HWS SOL W7191 -70.001 -37.000 -19.709 1.00 0.00 H 
    7213  
    7214 Duplicate atom serial number found: 23580 
    7215 Duplicate atom serial number found: 23582 
    7216 Duplicate atom serial number found: 23584 
    7217 Duplicate atom serial number found: 23586 
    7218 Duplicate atom serial number found: 23588 
    7219 Ignored bad PDB record found on line 82579 
    7220 ATOM 2358a HWS SOL W7193 -47.260 -19.716 -20.594 1.00 0.00 H 
    7221  
    7222 Ignored bad PDB record found on line 82580 
    7223 ATOM 2358c OWS SOL W7194 -87.749 -12.917 -47.681 1.00 0.00 O 
    7224  
    7225 Ignored bad PDB record found on line 82581 
    7226 ATOM 2358e HWS SOL W7194 -87.702 -12.895 -46.725 1.00 0.00 H 
    7227  
    7228 Duplicate atom serial number found: 23590 
    7229 Duplicate atom serial number found: 23592 
    7230 Duplicate atom serial number found: 23594 
    7231 Duplicate atom serial number found: 23596 
    7232 Duplicate atom serial number found: 23598 
    7233 Ignored bad PDB record found on line 82587 
    7234 ATOM 2359a HWS SOL W7196 -83.290 -10.545 -45.879 1.00 0.00 H 
    7235  
    7236 Ignored bad PDB record found on line 82588 
    7237 ATOM 2359c HWS SOL W7196 -84.765 -10.435 -46.204 1.00 0.00 H 
    7238  
    7239 Ignored bad PDB record found on line 82589 
    7240 ATOM 2359e OWS SOL W7197 -82.638 -42.539 -31.037 1.00 0.00 O 
    7241  
    7242 Ignored bad PDB record found on line 82590 
    7243 ATOM 235a0 HWS SOL W7197 -83.540 -42.427 -31.336 1.00 0.00 H 
    7244  
    7245 Ignored bad PDB record found on line 82591 
    7246 ATOM 235a2 HWS SOL W7197 -82.657 -43.335 -30.507 1.00 0.00 H 
    7247  
    7248 46 messages similar to the above omitted 
    7249 Duplicate atom serial number found: 23600 
    7250 Duplicate atom serial number found: 23602 
    7251 Duplicate atom serial number found: 23604 
    7252 Duplicate atom serial number found: 23606 
    7253 Duplicate atom serial number found: 23608 
    7254 Ignored bad PDB record found on line 82643 
    7255 ATOM 2360a OWS SOL W7215 90.082 -30.618 -28.427 1.00 0.00 O 
    7256  
    7257 Ignored bad PDB record found on line 82644 
    7258 ATOM 2360c HWS SOL W7215 89.422 -31.306 -28.514 1.00 0.00 H 
    7259  
    7260 Ignored bad PDB record found on line 82645 
    7261 ATOM 2360e HWS SOL W7215 89.681 -29.974 -27.843 1.00 0.00 H 
    7262  
    7263 Duplicate atom serial number found: 23610 
    7264 Duplicate atom serial number found: 23612 
    7265 Duplicate atom serial number found: 23614 
    7266 Duplicate atom serial number found: 23616 
    7267 Duplicate atom serial number found: 23618 
    7268 Ignored bad PDB record found on line 82651 
    7269 ATOM 2361a HWS SOL W7217 -68.496 -17.916 -24.739 1.00 0.00 H 
    7270  
    7271 Ignored bad PDB record found on line 82652 
    7272 ATOM 2361c OWS SOL W7218 -84.945 -4.231 -45.772 1.00 0.00 O 
    7273  
    7274 Ignored bad PDB record found on line 82653 
    7275 ATOM 2361e HWS SOL W7218 -85.681 -3.912 -45.250 1.00 0.00 H 
    7276  
    7277 Duplicate atom serial number found: 23620 
    7278 Duplicate atom serial number found: 23622 
    7279 Duplicate atom serial number found: 23624 
    7280 Duplicate atom serial number found: 23626 
    7281 Duplicate atom serial number found: 23628 
    7282 Ignored bad PDB record found on line 82659 
    7283 ATOM 2362a HWS SOL W7220 -60.477 -41.983 -18.280 1.00 0.00 H 
    7284  
    7285 Ignored bad PDB record found on line 82660 
    7286 ATOM 2362c HWS SOL W7220 -59.574 -40.945 -17.646 1.00 0.00 H 
    7287  
    7288 Ignored bad PDB record found on line 82661 
    7289 ATOM 2362e OWS SOL W7221 -81.711 -35.740 -38.093 1.00 0.00 O 
    7290  
    7291 Duplicate atom serial number found: 23630 
    7292 Duplicate atom serial number found: 23632 
    7293 Duplicate atom serial number found: 23634 
    7294 Duplicate atom serial number found: 23636 
    7295 Duplicate atom serial number found: 23638 
    7296 Ignored bad PDB record found on line 82667 
    7297 ATOM 2363a OWS SOL W7223 -71.430 -28.723 -5.344 1.00 0.00 O 
    7298  
    7299 Ignored bad PDB record found on line 82668 
    7300 ATOM 2363c HWS SOL W7223 -70.600 -28.444 -5.730 1.00 0.00 H 
    7301  
    7302 Ignored bad PDB record found on line 82669 
    7303 ATOM 2363e HWS SOL W7223 -71.875 -29.195 -6.047 1.00 0.00 H 
    7304  
    7305 Duplicate atom serial number found: 23640 
    7306 Duplicate atom serial number found: 23642 
    7307 Duplicate atom serial number found: 23644 
    7308 Duplicate atom serial number found: 23646 
    7309 Duplicate atom serial number found: 23648 
    7310 Ignored bad PDB record found on line 82675 
    7311 ATOM 2364a HWS SOL W7225 -78.427 -14.046 -37.065 1.00 0.00 H 
    7312  
    7313 Ignored bad PDB record found on line 82676 
    7314 ATOM 2364c OWS SOL W7226 78.372 -22.650 -6.806 1.00 0.00 O 
    7315  
    7316 Ignored bad PDB record found on line 82677 
    7317 ATOM 2364e HWS SOL W7226 77.792 -22.863 -6.075 1.00 0.00 H 
    7318  
    7319 Duplicate atom serial number found: 23650 
    7320 Duplicate atom serial number found: 23652 
    7321 Duplicate atom serial number found: 23654 
    7322 Duplicate atom serial number found: 23656 
    7323 Duplicate atom serial number found: 23658 
    7324 Ignored bad PDB record found on line 82683 
    7325 ATOM 2365a HWS SOL W7228 -73.030 -32.536 -27.800 1.00 0.00 H 
    7326  
    7327 Ignored bad PDB record found on line 82684 
    7328 ATOM 2365c HWS SOL W7228 -74.030 -33.526 -27.240 1.00 0.00 H 
    7329  
    7330 Ignored bad PDB record found on line 82685 
    7331 ATOM 2365e OWS SOL W7229 -50.046 -16.885 15.504 1.00 0.00 O 
    7332  
    7333 Duplicate atom serial number found: 23660 
    7334 Duplicate atom serial number found: 23662 
    7335 Duplicate atom serial number found: 23664 
    7336 Duplicate atom serial number found: 23666 
    7337 Duplicate atom serial number found: 23668 
    7338 Ignored bad PDB record found on line 82691 
    7339 ATOM 2366a OWS SOL W7231 -69.975 -40.577 -6.122 1.00 0.00 O 
    7340  
    7341 Ignored bad PDB record found on line 82692 
    7342 ATOM 2366c HWS SOL W7231 -70.080 -39.630 -6.035 1.00 0.00 H 
    7343  
    7344 Ignored bad PDB record found on line 82693 
    7345 ATOM 2366e HWS SOL W7231 -69.622 -40.700 -7.003 1.00 0.00 H 
    7346  
    7347 Duplicate atom serial number found: 23670 
    7348 Duplicate atom serial number found: 23672 
    7349 Duplicate atom serial number found: 23674 
    7350 Duplicate atom serial number found: 23676 
    7351 Duplicate atom serial number found: 23678 
    7352 Ignored bad PDB record found on line 82699 
    7353 ATOM 2367a HWS SOL W7233 87.073 -12.183 14.749 1.00 0.00 H 
    7354  
    7355 Ignored bad PDB record found on line 82700 
    7356 ATOM 2367c OWS SOL W7234 78.968 -22.309 -9.274 1.00 0.00 O 
    7357  
    7358 Ignored bad PDB record found on line 82701 
    7359 ATOM 2367e HWS SOL W7234 78.804 -22.401 -8.335 1.00 0.00 H 
    7360  
    7361 Duplicate atom serial number found: 23680 
    7362 Duplicate atom serial number found: 23682 
    7363 Duplicate atom serial number found: 23684 
    7364 Duplicate atom serial number found: 23686 
    7365 Duplicate atom serial number found: 23688 
    7366 Ignored bad PDB record found on line 82707 
    7367 ATOM 2368a HWS SOL W7236 -78.285 -35.262 -10.232 1.00 0.00 H 
    7368  
    7369 Ignored bad PDB record found on line 82708 
    7370 ATOM 2368c HWS SOL W7236 -77.774 -34.604 -8.967 1.00 0.00 H 
    7371  
    7372 Ignored bad PDB record found on line 82709 
    7373 ATOM 2368e OWS SOL W7237 -74.756 -36.438 7.414 1.00 0.00 O 
    7374  
    7375 Duplicate atom serial number found: 23690 
    7376 Duplicate atom serial number found: 23692 
    7377 Duplicate atom serial number found: 23694 
    7378 Duplicate atom serial number found: 23696 
    7379 Duplicate atom serial number found: 23698 
    7380 Ignored bad PDB record found on line 82715 
    7381 ATOM 2369a OWS SOL W7239 -78.872 -27.337 9.779 1.00 0.00 O 
    7382  
    7383 Ignored bad PDB record found on line 82716 
    7384 ATOM 2369c HWS SOL W7239 -79.077 -26.669 9.125 1.00 0.00 H 
    7385  
    7386 Ignored bad PDB record found on line 82717 
    7387 ATOM 2369e HWS SOL W7239 -78.028 -27.067 10.142 1.00 0.00 H 
    7388  
    7389 Ignored bad PDB record found on line 82718 
    7390 ATOM 236a0 OWS SOL W7240 -62.864 -32.799 -8.757 1.00 0.00 O 
    7391  
    7392 Ignored bad PDB record found on line 82719 
    7393 ATOM 236a2 HWS SOL W7240 -63.610 -32.229 -8.569 1.00 0.00 H 
    7394  
    7395 46 messages similar to the above omitted 
    7396 Duplicate atom serial number found: 23700 
    7397 Duplicate atom serial number found: 23702 
    7398 Duplicate atom serial number found: 23704 
    7399 Duplicate atom serial number found: 23706 
    7400 Duplicate atom serial number found: 23708 
    7401 Ignored bad PDB record found on line 82771 
    7402 ATOM 2370a HWS SOL W7257 -84.674 -62.093 -19.215 1.00 0.00 H 
    7403  
    7404 Ignored bad PDB record found on line 82772 
    7405 ATOM 2370c OWS SOL W7258 -77.015 -46.281 -23.932 1.00 0.00 O 
    7406  
    7407 Ignored bad PDB record found on line 82773 
    7408 ATOM 2370e HWS SOL W7258 -76.112 -46.595 -23.977 1.00 0.00 H 
    7409  
    7410 Duplicate atom serial number found: 23710 
    7411 Duplicate atom serial number found: 23712 
    7412 Duplicate atom serial number found: 23714 
    7413 Duplicate atom serial number found: 23716 
    7414 Duplicate atom serial number found: 23718 
    7415 Ignored bad PDB record found on line 82779 
    7416 ATOM 2371a HWS SOL W7260 -60.419 -30.272 -16.608 1.00 0.00 H 
    7417  
    7418 Ignored bad PDB record found on line 82780 
    7419 ATOM 2371c HWS SOL W7260 -60.567 -31.180 -15.406 1.00 0.00 H 
    7420  
    7421 Ignored bad PDB record found on line 82781 
    7422 ATOM 2371e OWS SOL W7261 -83.433 -23.946 -24.538 1.00 0.00 O 
    7423  
    7424 Duplicate atom serial number found: 23720 
    7425 Duplicate atom serial number found: 23722 
    7426 Duplicate atom serial number found: 23724 
    7427 Duplicate atom serial number found: 23726 
    7428 Duplicate atom serial number found: 23728 
    7429 Ignored bad PDB record found on line 82787 
    7430 ATOM 2372a OWS SOL W7263 -58.019 -30.504 16.398 1.00 0.00 O 
    7431  
    7432 Ignored bad PDB record found on line 82788 
    7433 ATOM 2372c HWS SOL W7263 -58.001 -29.547 16.363 1.00 0.00 H 
    7434  
    7435 Ignored bad PDB record found on line 82789 
    7436 ATOM 2372e HWS SOL W7263 -57.097 -30.760 16.408 1.00 0.00 H 
    7437  
    7438 Duplicate atom serial number found: 23730 
    7439 Duplicate atom serial number found: 23732 
    7440 Duplicate atom serial number found: 23734 
    7441 Duplicate atom serial number found: 23736 
    7442 Duplicate atom serial number found: 23738 
    7443 Ignored bad PDB record found on line 82795 
    7444 ATOM 2373a HWS SOL W7265 -66.964 -26.725 -6.707 1.00 0.00 H 
    7445  
    7446 Ignored bad PDB record found on line 82796 
    7447 ATOM 2373c OWS SOL W7266 -80.902 -35.357 -21.144 1.00 0.00 O 
    7448  
    7449 Ignored bad PDB record found on line 82797 
    7450 ATOM 2373e HWS SOL W7266 -80.735 -34.432 -21.327 1.00 0.00 H 
    7451  
    7452 Duplicate atom serial number found: 23740 
    7453 Duplicate atom serial number found: 23742 
    7454 Duplicate atom serial number found: 23744 
    7455 Duplicate atom serial number found: 23746 
    7456 Duplicate atom serial number found: 23748 
    7457 Ignored bad PDB record found on line 82803 
    7458 ATOM 2374a HWS SOL W7268 -89.208 -8.602 18.616 1.00 0.00 H 
    7459  
    7460 Ignored bad PDB record found on line 82804 
    7461 ATOM 2374c HWS SOL W7268 -87.730 -8.625 18.944 1.00 0.00 H 
    7462  
    7463 Ignored bad PDB record found on line 82805 
    7464 ATOM 2374e OWS SOL W7269 -87.963 -45.431 -12.856 1.00 0.00 O 
    7465  
    7466 Duplicate atom serial number found: 23750 
    7467 Duplicate atom serial number found: 23752 
    7468 Duplicate atom serial number found: 23754 
    7469 Duplicate atom serial number found: 23756 
    7470 Duplicate atom serial number found: 23758 
    7471 Ignored bad PDB record found on line 82811 
    7472 ATOM 2375a OWS SOL W7271 -80.607 -6.200 15.356 1.00 0.00 O 
    7473  
    7474 Ignored bad PDB record found on line 82812 
    7475 ATOM 2375c HWS SOL W7271 -81.454 -6.069 14.928 1.00 0.00 H 
    7476  
    7477 Ignored bad PDB record found on line 82813 
    7478 ATOM 2375e HWS SOL W7271 -80.415 -7.129 15.227 1.00 0.00 H 
    7479  
    7480 Duplicate atom serial number found: 23760 
    7481 Duplicate atom serial number found: 23762 
    7482 Duplicate atom serial number found: 23764 
    7483 Duplicate atom serial number found: 23766 
    7484 Duplicate atom serial number found: 23768 
    7485 Ignored bad PDB record found on line 82819 
    7486 ATOM 2376a HWS SOL W7273 -55.946 -4.312 -10.194 1.00 0.00 H 
    7487  
    7488 Ignored bad PDB record found on line 82820 
    7489 ATOM 2376c OWS SOL W7274 -64.367 -34.269 21.065 1.00 0.00 O 
    7490  
    7491 Ignored bad PDB record found on line 82821 
    7492 ATOM 2376e HWS SOL W7274 -63.649 -33.871 20.572 1.00 0.00 H 
    7493  
    7494 Duplicate atom serial number found: 23770 
    7495 Duplicate atom serial number found: 23772 
    7496 Duplicate atom serial number found: 23774 
    7497 Duplicate atom serial number found: 23776 
    7498 Duplicate atom serial number found: 23778 
    7499 Ignored bad PDB record found on line 82827 
    7500 ATOM 2377a HWS SOL W7276 -82.724 -46.381 -19.996 1.00 0.00 H 
    7501  
    7502 Ignored bad PDB record found on line 82828 
    7503 ATOM 2377c HWS SOL W7276 -84.145 -45.877 -19.850 1.00 0.00 H 
    7504  
    7505 Ignored bad PDB record found on line 82829 
    7506 ATOM 2377e OWS SOL W7277 -82.232 -21.589 -4.418 1.00 0.00 O 
    7507  
    7508 Duplicate atom serial number found: 23780 
    7509 Duplicate atom serial number found: 23782 
    7510 Duplicate atom serial number found: 23784 
    7511 Duplicate atom serial number found: 23786 
    7512 Duplicate atom serial number found: 23788 
    7513 Ignored bad PDB record found on line 82835 
    7514 ATOM 2378a OWS SOL W7279 -74.567 -37.107 -18.152 1.00 0.00 O 
    7515  
    7516 Ignored bad PDB record found on line 82836 
    7517 ATOM 2378c HWS SOL W7279 -75.462 -37.223 -17.833 1.00 0.00 H 
    7518  
    7519 Ignored bad PDB record found on line 82837 
    7520 ATOM 2378e HWS SOL W7279 -74.168 -37.973 -18.067 1.00 0.00 H 
    7521  
    7522 Duplicate atom serial number found: 23790 
    7523 Duplicate atom serial number found: 23792 
    7524 Duplicate atom serial number found: 23794 
    7525 Duplicate atom serial number found: 23796 
    7526 Duplicate atom serial number found: 23798 
    7527 Ignored bad PDB record found on line 82843 
    7528 ATOM 2379a HWS SOL W7281 -84.235 -38.780 -2.532 1.00 0.00 H 
    7529  
    7530 Ignored bad PDB record found on line 82844 
    7531 ATOM 2379c OWS SOL W7282 -72.696 -25.669 9.780 1.00 0.00 O 
    7532  
    7533 Ignored bad PDB record found on line 82845 
    7534 ATOM 2379e HWS SOL W7282 -72.516 -24.900 9.239 1.00 0.00 H 
    7535  
    7536 Ignored bad PDB record found on line 82846 
    7537 ATOM 237a0 HWS SOL W7282 -73.651 -25.735 9.793 1.00 0.00 H 
    7538  
    7539 Ignored bad PDB record found on line 82847 
    7540 ATOM 237a2 OWS SOL W7283 -70.838 -39.529 -11.075 1.00 0.00 O 
    7541  
    7542 46 messages similar to the above omitted 
    7543 Duplicate atom serial number found: 23800 
    7544 Duplicate atom serial number found: 23802 
    7545 Duplicate atom serial number found: 23804 
    7546 Duplicate atom serial number found: 23806 
    7547 Duplicate atom serial number found: 23808 
    7548 Ignored bad PDB record found on line 82899 
    7549 ATOM 2380a HWS SOL W7300 -82.125 -9.458 5.218 1.00 0.00 H 
    7550  
    7551 Ignored bad PDB record found on line 82900 
    7552 ATOM 2380c HWS SOL W7300 -81.741 -10.595 6.141 1.00 0.00 H 
    7553  
    7554 Ignored bad PDB record found on line 82901 
    7555 ATOM 2380e OWS SOL W7301 -52.441 -12.847 -3.791 1.00 0.00 O 
    7556  
    7557 Duplicate atom serial number found: 23810 
    7558 Duplicate atom serial number found: 23812 
    7559 Duplicate atom serial number found: 23814 
    7560 Duplicate atom serial number found: 23816 
    7561 Duplicate atom serial number found: 23818 
    7562 Ignored bad PDB record found on line 82907 
    7563 ATOM 2381a OWS SOL W7303 -66.818 -20.812 -17.305 1.00 0.00 O 
    7564  
    7565 Ignored bad PDB record found on line 82908 
    7566 ATOM 2381c HWS SOL W7303 -66.792 -20.235 -16.542 1.00 0.00 H 
    7567  
    7568 Ignored bad PDB record found on line 82909 
    7569 ATOM 2381e HWS SOL W7303 -67.684 -21.217 -17.271 1.00 0.00 H 
    7570  
    7571 Duplicate atom serial number found: 23820 
    7572 Duplicate atom serial number found: 23822 
    7573 Duplicate atom serial number found: 23824 
    7574 Duplicate atom serial number found: 23826 
    7575 Duplicate atom serial number found: 23828 
    7576 Ignored bad PDB record found on line 82915 
    7577 ATOM 2382a HWS SOL W7305 -69.455 -7.830 -10.784 1.00 0.00 H 
    7578  
    7579 Ignored bad PDB record found on line 82916 
    7580 ATOM 2382c OWS SOL W7306 -69.230 -40.402 -25.470 1.00 0.00 O 
    7581  
    7582 Ignored bad PDB record found on line 82917 
    7583 ATOM 2382e HWS SOL W7306 -70.018 -40.915 -25.292 1.00 0.00 H 
    7584  
    7585 Duplicate atom serial number found: 23830 
    7586 Duplicate atom serial number found: 23832 
    7587 Duplicate atom serial number found: 23834 
    7588 Duplicate atom serial number found: 23836 
    7589 Duplicate atom serial number found: 23838 
    7590 Ignored bad PDB record found on line 82923 
    7591 ATOM 2383a HWS SOL W7308 -74.141 -18.613 -15.220 1.00 0.00 H 
    7592  
    7593 Ignored bad PDB record found on line 82924 
    7594 ATOM 2383c HWS SOL W7308 -74.007 -19.878 -16.042 1.00 0.00 H 
    7595  
    7596 Ignored bad PDB record found on line 82925 
    7597 ATOM 2383e OWS SOL W7309 -88.725 -12.423 6.751 1.00 0.00 O 
    7598  
    7599 Duplicate atom serial number found: 23840 
    7600 Duplicate atom serial number found: 23842 
    7601 Duplicate atom serial number found: 23844 
    7602 Duplicate atom serial number found: 23846 
    7603 Duplicate atom serial number found: 23848 
    7604 Ignored bad PDB record found on line 82931 
    7605 ATOM 2384a OWS SOL W7311 -47.080 -16.353 13.126 1.00 0.00 O 
    7606  
    7607 Ignored bad PDB record found on line 82932 
    7608 ATOM 2384c HWS SOL W7311 -48.001 -16.276 12.880 1.00 0.00 H 
    7609  
    7610 Ignored bad PDB record found on line 82933 
    7611 ATOM 2384e HWS SOL W7311 -46.936 -15.635 13.743 1.00 0.00 H 
    7612  
    7613 Duplicate atom serial number found: 23850 
    7614 Duplicate atom serial number found: 23852 
    7615 Duplicate atom serial number found: 23854 
    7616 Duplicate atom serial number found: 23856 
    7617 Duplicate atom serial number found: 23858 
    7618 Ignored bad PDB record found on line 82939 
    7619 ATOM 2385a HWS SOL W7313 -73.481 -35.098 5.276 1.00 0.00 H 
    7620  
    7621 Ignored bad PDB record found on line 82940 
    7622 ATOM 2385c OWS SOL W7314 -63.545 -35.670 -2.224 1.00 0.00 O 
    7623  
    7624 Ignored bad PDB record found on line 82941 
    7625 ATOM 2385e HWS SOL W7314 -63.422 -35.111 -1.456 1.00 0.00 H 
    7626  
    7627 Duplicate atom serial number found: 23860 
    7628 Duplicate atom serial number found: 23862 
    7629 Duplicate atom serial number found: 23864 
    7630 Duplicate atom serial number found: 23866 
    7631 Duplicate atom serial number found: 23868 
    7632 Ignored bad PDB record found on line 82947 
    7633 ATOM 2386a HWS SOL W7316 -83.326 -25.982 13.726 1.00 0.00 H 
    7634  
    7635 Ignored bad PDB record found on line 82948 
    7636 ATOM 2386c HWS SOL W7316 -84.507 -26.709 13.118 1.00 0.00 H 
    7637  
    7638 Ignored bad PDB record found on line 82949 
    7639 ATOM 2386e OWS SOL W7317 -79.265 -2.341 8.374 1.00 0.00 O 
    7640  
    7641 Duplicate atom serial number found: 23870 
    7642 Duplicate atom serial number found: 23872 
    7643 Duplicate atom serial number found: 23874 
    7644 Duplicate atom serial number found: 23876 
    7645 Duplicate atom serial number found: 23878 
    7646 Ignored bad PDB record found on line 82955 
    7647 ATOM 2387a OWS SOL W7319 -70.989 -31.465 -3.680 1.00 0.00 O 
    7648  
    7649 Ignored bad PDB record found on line 82956 
    7650 ATOM 2387c HWS SOL W7319 -71.832 -31.736 -3.315 1.00 0.00 H 
    7651  
    7652 Ignored bad PDB record found on line 82957 
    7653 ATOM 2387e HWS SOL W7319 -71.150 -30.590 -4.033 1.00 0.00 H 
    7654  
    7655 Duplicate atom serial number found: 23880 
    7656 Duplicate atom serial number found: 23882 
    7657 Duplicate atom serial number found: 23884 
    7658 Duplicate atom serial number found: 23886 
    7659 Duplicate atom serial number found: 23888 
    7660 Ignored bad PDB record found on line 82963 
    7661 ATOM 2388a HWS SOL W7321 -72.578 -33.032 9.498 1.00 0.00 H 
    7662  
    7663 Ignored bad PDB record found on line 82964 
    7664 ATOM 2388c OWS SOL W7322 -67.459 -32.624 -8.384 1.00 0.00 O 
    7665  
    7666 Ignored bad PDB record found on line 82965 
    7667 ATOM 2388e HWS SOL W7322 -67.450 -33.221 -9.132 1.00 0.00 H 
    7668  
    7669 Duplicate atom serial number found: 23890 
    7670 Duplicate atom serial number found: 23892 
    7671 Duplicate atom serial number found: 23894 
    7672 Duplicate atom serial number found: 23896 
    7673 Duplicate atom serial number found: 23898 
    7674 Ignored bad PDB record found on line 82971 
    7675 ATOM 2389a HWS SOL W7324 -90.255 -36.291 -17.135 1.00 0.00 H 
    7676  
    7677 Ignored bad PDB record found on line 82972 
    7678 ATOM 2389c HWS SOL W7324 -90.179 -36.969 -15.783 1.00 0.00 H 
    7679  
    7680 Ignored bad PDB record found on line 82973 
    7681 ATOM 2389e OWS SOL W7325 -73.995 -21.761 -5.937 1.00 0.00 O 
    7682  
    7683 Ignored bad PDB record found on line 82974 
    7684 ATOM 238a0 HWS SOL W7325 -73.154 -21.924 -5.509 1.00 0.00 H 
    7685  
    7686 Ignored bad PDB record found on line 82975 
    7687 ATOM 238a2 HWS SOL W7325 -73.763 -21.434 -6.806 1.00 0.00 H 
    7688  
    7689 46 messages similar to the above omitted 
    7690 Duplicate atom serial number found: 23900 
    7691 Duplicate atom serial number found: 23902 
    7692 Duplicate atom serial number found: 23904 
    7693 Duplicate atom serial number found: 23906 
    7694 Duplicate atom serial number found: 23908 
    7695 Ignored bad PDB record found on line 83027 
    7696 ATOM 2390a OWS SOL W7343 -84.835 -30.070 -2.469 1.00 0.00 O 
    7697  
    7698 Ignored bad PDB record found on line 83028 
    7699 ATOM 2390c HWS SOL W7343 -85.202 -30.714 -3.074 1.00 0.00 H 
    7700  
    7701 Ignored bad PDB record found on line 83029 
    7702 ATOM 2390e HWS SOL W7343 -84.759 -30.537 -1.637 1.00 0.00 H 
    7703  
    7704 Duplicate atom serial number found: 23910 
    7705 Duplicate atom serial number found: 23912 
    7706 Duplicate atom serial number found: 23914 
    7707 Duplicate atom serial number found: 23916 
    7708 Duplicate atom serial number found: 23918 
    7709 Ignored bad PDB record found on line 83035 
    7710 ATOM 2391a HWS SOL W7345 73.138 -26.652 11.015 1.00 0.00 H 
    7711  
    7712 Ignored bad PDB record found on line 83036 
    7713 ATOM 2391c OWS SOL W7346 -85.244 -52.297 18.535 1.00 0.00 O 
    7714  
    7715 Ignored bad PDB record found on line 83037 
    7716 ATOM 2391e HWS SOL W7346 -86.008 -52.847 18.363 1.00 0.00 H 
    7717  
    7718 Duplicate atom serial number found: 23920 
    7719 Duplicate atom serial number found: 23922 
    7720 Duplicate atom serial number found: 23924 
    7721 Duplicate atom serial number found: 23926 
    7722 Duplicate atom serial number found: 23928 
    7723 Ignored bad PDB record found on line 83043 
    7724 ATOM 2392a HWS SOL W7348 -68.965 -20.702 22.169 1.00 0.00 H 
    7725  
    7726 Ignored bad PDB record found on line 83044 
    7727 ATOM 2392c HWS SOL W7348 -69.888 -20.457 23.343 1.00 0.00 H 
    7728  
    7729 Ignored bad PDB record found on line 83045 
    7730 ATOM 2392e OWS SOL W7349 -87.396 -33.202 -13.550 1.00 0.00 O 
    7731  
    7732 Duplicate atom serial number found: 23930 
    7733 Duplicate atom serial number found: 23932 
    7734 Duplicate atom serial number found: 23934 
    7735 Duplicate atom serial number found: 23936 
    7736 Duplicate atom serial number found: 23938 
    7737 Ignored bad PDB record found on line 83051 
    7738 ATOM 2393a OWS SOL W7351 -88.984 -26.534 -12.321 1.00 0.00 O 
    7739  
    7740 Ignored bad PDB record found on line 83052 
    7741 ATOM 2393c HWS SOL W7351 -89.234 -27.064 -13.077 1.00 0.00 H 
    7742  
    7743 Ignored bad PDB record found on line 83053 
    7744 ATOM 2393e HWS SOL W7351 -89.652 -25.850 -12.276 1.00 0.00 H 
    7745  
    7746 Duplicate atom serial number found: 23940 
    7747 Duplicate atom serial number found: 23942 
    7748 Duplicate atom serial number found: 23944 
    7749 Duplicate atom serial number found: 23946 
    7750 Duplicate atom serial number found: 23948 
    7751 Ignored bad PDB record found on line 83059 
    7752 ATOM 2394a HWS SOL W7353 -76.300 -25.637 -6.192 1.00 0.00 H 
    7753  
    7754 Ignored bad PDB record found on line 83060 
    7755 ATOM 2394c OWS SOL W7354 -70.556 -36.389 -11.898 1.00 0.00 O 
    7756  
    7757 Ignored bad PDB record found on line 83061 
    7758 ATOM 2394e HWS SOL W7354 -69.795 -36.800 -12.306 1.00 0.00 H 
    7759  
    7760 Duplicate atom serial number found: 23950 
    7761 Duplicate atom serial number found: 23952 
    7762 Duplicate atom serial number found: 23954 
    7763 Duplicate atom serial number found: 23956 
    7764 Duplicate atom serial number found: 23958 
    7765 Ignored bad PDB record found on line 83067 
    7766 ATOM 2395a HWS SOL W7356 -79.420 -25.171 -5.929 1.00 0.00 H 
    7767  
    7768 Ignored bad PDB record found on line 83068 
    7769 ATOM 2395c HWS SOL W7356 -78.871 -24.478 -7.158 1.00 0.00 H 
    7770  
    7771 Ignored bad PDB record found on line 83069 
    7772 ATOM 2395e OWS SOL W7357 -89.723 -29.483 9.126 1.00 0.00 O 
    7773  
    7774 Duplicate atom serial number found: 23960 
    7775 Duplicate atom serial number found: 23962 
    7776 Duplicate atom serial number found: 23964 
    7777 Duplicate atom serial number found: 23966 
    7778 Duplicate atom serial number found: 23968 
    7779 Ignored bad PDB record found on line 83075 
    7780 ATOM 2396a OWS SOL W7359 -75.632 -15.539 -2.240 1.00 0.00 O 
    7781  
    7782 Ignored bad PDB record found on line 83076 
    7783 ATOM 2396c HWS SOL W7359 -76.171 -14.868 -1.821 1.00 0.00 H 
    7784  
    7785 Ignored bad PDB record found on line 83077 
    7786 ATOM 2396e HWS SOL W7359 -74.753 -15.162 -2.262 1.00 0.00 H 
    7787  
    7788 Duplicate atom serial number found: 23970 
    7789 Duplicate atom serial number found: 23972 
    7790 Duplicate atom serial number found: 23974 
    7791 Duplicate atom serial number found: 23976 
    7792 Duplicate atom serial number found: 23978 
    7793 Ignored bad PDB record found on line 83083 
    7794 ATOM 2397a HWS SOL W7361 -86.798 -28.779 -0.870 1.00 0.00 H 
    7795  
    7796 Ignored bad PDB record found on line 83084 
    7797 ATOM 2397c OWS SOL W7362 83.299 -1.150 -3.527 1.00 0.00 O 
    7798  
    7799 Ignored bad PDB record found on line 83085 
    7800 ATOM 2397e HWS SOL W7362 82.559 -1.559 -3.975 1.00 0.00 H 
    7801  
    7802 Duplicate atom serial number found: 23980 
    7803 Duplicate atom serial number found: 23982 
    7804 Duplicate atom serial number found: 23984 
    7805 Duplicate atom serial number found: 23986 
    7806 Duplicate atom serial number found: 23988 
    7807 Ignored bad PDB record found on line 83091 
    7808 ATOM 2398a HWS SOL W7364 -55.150 -28.364 -13.924 1.00 0.00 H 
    7809  
    7810 Ignored bad PDB record found on line 83092 
    7811 ATOM 2398c HWS SOL W7364 -54.886 -29.334 -15.055 1.00 0.00 H 
    7812  
    7813 Ignored bad PDB record found on line 83093 
    7814 ATOM 2398e OWS SOL W7365 -85.566 -16.533 -17.570 1.00 0.00 O 
    7815  
    7816 Duplicate atom serial number found: 23990 
    7817 Duplicate atom serial number found: 23992 
    7818 Duplicate atom serial number found: 23994 
    7819 Duplicate atom serial number found: 23996 
    7820 Duplicate atom serial number found: 23998 
    7821 Ignored bad PDB record found on line 83099 
    7822 ATOM 2399a OWS SOL W7367 -82.155 -21.508 19.628 1.00 0.00 O 
    7823  
    7824 Ignored bad PDB record found on line 83100 
    7825 ATOM 2399c HWS SOL W7367 -82.888 -22.114 19.733 1.00 0.00 H 
    7826  
    7827 Ignored bad PDB record found on line 83101 
    7828 ATOM 2399e HWS SOL W7367 -82.271 -21.141 18.752 1.00 0.00 H 
    7829  
    7830 Ignored bad PDB record found on line 83102 
    7831 ATOM 239a0 OWS SOL W7368 -81.474 -15.618 -0.495 1.00 0.00 O 
    7832  
    7833 Ignored bad PDB record found on line 83103 
    7834 ATOM 239a2 HWS SOL W7368 -80.784 -16.258 -0.671 1.00 0.00 H 
    7835  
    7836 814 messages similar to the above omitted 
    7837 Duplicate atom serial number found: 24000 
    7838 Duplicate atom serial number found: 24002 
    7839 Duplicate atom serial number found: 24004 
    7840 Duplicate atom serial number found: 24006 
    7841 Duplicate atom serial number found: 24008 
    7842 Ignored bad PDB record found on line 83923 
    7843 ATOM 2400a HWS SOL W7642 83.840 -40.193 16.813 1.00 0.00 H 
    7844  
    7845 Ignored bad PDB record found on line 83924 
    7846 ATOM 2400c OWS SOL W7643 -65.206 -24.315 5.229 1.00 0.00 O 
    7847  
    7848 Ignored bad PDB record found on line 83925 
    7849 ATOM 2400e HWS SOL W7643 -66.023 -24.469 5.703 1.00 0.00 H 
    7850  
    7851 Duplicate atom serial number found: 24010 
    7852 Duplicate atom serial number found: 24012 
    7853 Duplicate atom serial number found: 24014 
    7854 Duplicate atom serial number found: 24016 
    7855 Duplicate atom serial number found: 24018 
    7856 Ignored bad PDB record found on line 83931 
    7857 ATOM 2401a HWS SOL W7645 -65.805 -36.786 -23.227 1.00 0.00 H 
    7858  
    7859 Ignored bad PDB record found on line 83932 
    7860 ATOM 2401c HWS SOL W7645 -64.685 -36.109 -22.466 1.00 0.00 H 
    7861  
    7862 Ignored bad PDB record found on line 83933 
    7863 ATOM 2401e OWS SOL W7646 -58.330 -24.335 -2.524 1.00 0.00 O 
    7864  
    7865 Duplicate atom serial number found: 24020 
    7866 Duplicate atom serial number found: 24022 
    7867 Duplicate atom serial number found: 24024 
    7868 Duplicate atom serial number found: 24026 
    7869 Duplicate atom serial number found: 24028 
    7870 Ignored bad PDB record found on line 83939 
    7871 ATOM 2402a OWS SOL W7648 -70.630 -24.968 -5.446 1.00 0.00 O 
    7872  
    7873 Ignored bad PDB record found on line 83940 
    7874 ATOM 2402c HWS SOL W7648 -70.115 -24.320 -5.927 1.00 0.00 H 
    7875  
    7876 Ignored bad PDB record found on line 83941 
    7877 ATOM 2402e HWS SOL W7648 -70.034 -25.706 -5.323 1.00 0.00 H 
    7878  
    7879 Duplicate atom serial number found: 24030 
    7880 Duplicate atom serial number found: 24032 
    7881 Duplicate atom serial number found: 24034 
    7882 Duplicate atom serial number found: 24036 
    7883 Duplicate atom serial number found: 24038 
    7884 Ignored bad PDB record found on line 83947 
    7885 ATOM 2403a HWS SOL W7650 83.961 -6.282 3.897 1.00 0.00 H 
    7886  
    7887 Ignored bad PDB record found on line 83948 
    7888 ATOM 2403c OWS SOL W7651 -58.478 -41.119 -16.376 1.00 0.00 O 
    7889  
    7890 Ignored bad PDB record found on line 83949 
    7891 ATOM 2403e HWS SOL W7651 -57.665 -41.144 -15.871 1.00 0.00 H 
    7892  
    7893 Duplicate atom serial number found: 24040 
    7894 Duplicate atom serial number found: 24042 
    7895 Duplicate atom serial number found: 24044 
    7896 Duplicate atom serial number found: 24046 
    7897 Duplicate atom serial number found: 24048 
    7898 Ignored bad PDB record found on line 83955 
    7899 ATOM 2404a HWS SOL W7653 -79.555 -6.477 3.853 1.00 0.00 H 
    7900  
    7901 Ignored bad PDB record found on line 83956 
    7902 ATOM 2404c HWS SOL W7653 -80.927 -7.114 3.789 1.00 0.00 H 
    7903  
    7904 Ignored bad PDB record found on line 83957 
    7905 ATOM 2404e OWS SOL W7654 -68.071 -48.787 14.067 1.00 0.00 O 
    7906  
    7907 Duplicate atom serial number found: 24050 
    7908 Duplicate atom serial number found: 24052 
    7909 Duplicate atom serial number found: 24054 
    7910 Duplicate atom serial number found: 24056 
    7911 Duplicate atom serial number found: 24058 
    7912 Ignored bad PDB record found on line 83963 
    7913 ATOM 2405a OWS SOL W7656 -58.799 -12.914 14.221 1.00 0.00 O 
    7914  
    7915 Ignored bad PDB record found on line 83964 
    7916 ATOM 2405c HWS SOL W7656 -58.194 -12.266 14.581 1.00 0.00 H 
    7917  
    7918 Ignored bad PDB record found on line 83965 
    7919 ATOM 2405e HWS SOL W7656 -59.353 -13.162 14.961 1.00 0.00 H 
    7920  
    7921 Duplicate atom serial number found: 24060 
    7922 Duplicate atom serial number found: 24062 
    7923 Duplicate atom serial number found: 24064 
    7924 Duplicate atom serial number found: 24066 
    7925 Duplicate atom serial number found: 24068 
    7926 Ignored bad PDB record found on line 83971 
    7927 ATOM 2406a HWS SOL W7658 -70.395 -38.799 -14.074 1.00 0.00 H 
    7928  
    7929 Ignored bad PDB record found on line 83972 
    7930 ATOM 2406c OWS SOL W7659 -84.158 -30.023 -8.251 1.00 0.00 O 
    7931  
    7932 Ignored bad PDB record found on line 83973 
    7933 ATOM 2406e HWS SOL W7659 -83.968 -30.801 -8.776 1.00 0.00 H 
    7934  
    7935 Duplicate atom serial number found: 24070 
    7936 Duplicate atom serial number found: 24072 
    7937 Duplicate atom serial number found: 24074 
    7938 Duplicate atom serial number found: 24076 
    7939 Duplicate atom serial number found: 24078 
    7940 Ignored bad PDB record found on line 83979 
    7941 ATOM 2407a HWS SOL W7661 -71.538 -33.914 13.793 1.00 0.00 H 
    7942  
    7943 Ignored bad PDB record found on line 83980 
    7944 ATOM 2407c HWS SOL W7661 -72.395 -32.913 13.046 1.00 0.00 H 
    7945  
    7946 Ignored bad PDB record found on line 83981 
    7947 ATOM 2407e OWS SOL W7662 -69.531 -42.820 0.070 1.00 0.00 O 
    7948  
    7949 Duplicate atom serial number found: 24080 
    7950 Duplicate atom serial number found: 24082 
    7951 Duplicate atom serial number found: 24084 
    7952 Duplicate atom serial number found: 24086 
    7953 Duplicate atom serial number found: 24088 
    7954 Ignored bad PDB record found on line 83987 
    7955 ATOM 2408a OWS SOL W7664 -81.174 -22.327 4.850 1.00 0.00 O 
    7956  
    7957 Ignored bad PDB record found on line 83988 
    7958 ATOM 2408c HWS SOL W7664 -81.398 -21.981 3.986 1.00 0.00 H 
    7959  
    7960 Ignored bad PDB record found on line 83989 
    7961 ATOM 2408e HWS SOL W7664 -81.830 -21.950 5.437 1.00 0.00 H 
    7962  
    7963 Duplicate atom serial number found: 24090 
    7964 Duplicate atom serial number found: 24092 
    7965 Duplicate atom serial number found: 24094 
    7966 Duplicate atom serial number found: 24096 
    7967 Duplicate atom serial number found: 24098 
    7968 Ignored bad PDB record found on line 83995 
    7969 ATOM 2409a HWS SOL W7666 81.864 -5.756 10.642 1.00 0.00 H 
    7970  
    7971 Ignored bad PDB record found on line 83996 
    7972 ATOM 2409c OWS SOL W7667 88.731 -7.306 12.304 1.00 0.00 O 
    7973  
    7974 Ignored bad PDB record found on line 83997 
    7975 ATOM 2409e HWS SOL W7667 88.919 -8.193 12.611 1.00 0.00 H 
    7976  
    7977 Ignored bad PDB record found on line 83998 
    7978 ATOM 240a0 HWS SOL W7667 88.428 -7.422 11.404 1.00 0.00 H 
    7979  
    7980 Ignored bad PDB record found on line 83999 
    7981 ATOM 240a2 OWS SOL W7668 -72.994 -47.930 -15.765 1.00 0.00 O 
    7982  
    7983 46 messages similar to the above omitted 
    7984 Duplicate atom serial number found: 24100 
    7985 Duplicate atom serial number found: 24102 
    7986 Duplicate atom serial number found: 24104 
    7987 Duplicate atom serial number found: 24106 
    7988 Duplicate atom serial number found: 24108 
    7989 Ignored bad PDB record found on line 84051 
    7990 ATOM 2410a HWS SOL W7685 -68.498 -54.428 -16.642 1.00 0.00 H 
    7991  
    7992 Ignored bad PDB record found on line 84052 
    7993 ATOM 2410c HWS SOL W7685 -69.457 -55.023 -17.652 1.00 0.00 H 
    7994  
    7995 Ignored bad PDB record found on line 84053 
    7996 ATOM 2410e OWS SOL W7686 -88.503 -21.671 10.722 1.00 0.00 O 
    7997  
    7998 Duplicate atom serial number found: 24110 
    7999 Duplicate atom serial number found: 24112 
    8000 Duplicate atom serial number found: 24114 
    8001 Duplicate atom serial number found: 24116 
    8002 Duplicate atom serial number found: 24118 
    8003 Ignored bad PDB record found on line 84059 
    8004 ATOM 2411a OWS SOL W7688 -76.336 -32.924 -1.916 1.00 0.00 O 
    8005  
    8006 Ignored bad PDB record found on line 84060 
    8007 ATOM 2411c HWS SOL W7688 -76.521 -33.700 -1.388 1.00 0.00 H 
    8008  
    8009 Ignored bad PDB record found on line 84061 
    8010 ATOM 2411e HWS SOL W7688 -75.764 -32.390 -1.365 1.00 0.00 H 
    8011  
    8012 Duplicate atom serial number found: 24120 
    8013 Duplicate atom serial number found: 24122 
    8014 Duplicate atom serial number found: 24124 
    8015 Duplicate atom serial number found: 24126 
    8016 Duplicate atom serial number found: 24128 
    8017 Ignored bad PDB record found on line 84067 
    8018 ATOM 2412a HWS SOL W7690 87.402 -31.282 12.526 1.00 0.00 H 
    8019  
    8020 Ignored bad PDB record found on line 84068 
    8021 ATOM 2412c OWS SOL W7691 -84.471 -9.788 -29.061 1.00 0.00 O 
    8022  
    8023 Ignored bad PDB record found on line 84069 
    8024 ATOM 2412e HWS SOL W7691 -84.631 -9.112 -28.402 1.00 0.00 H 
    8025  
    8026 Duplicate atom serial number found: 24130 
    8027 Duplicate atom serial number found: 24132 
    8028 Duplicate atom serial number found: 24134 
    8029 Duplicate atom serial number found: 24136 
    8030 Duplicate atom serial number found: 24138 
    8031 Ignored bad PDB record found on line 84075 
    8032 ATOM 2413a HWS SOL W7693 -83.607 -48.689 -12.134 1.00 0.00 H 
    8033  
    8034 Ignored bad PDB record found on line 84076 
    8035 ATOM 2413c HWS SOL W7693 -82.119 -48.458 -12.291 1.00 0.00 H 
    8036  
    8037 Ignored bad PDB record found on line 84077 
    8038 ATOM 2413e OWS SOL W7694 -88.584 -22.699 -12.613 1.00 0.00 O 
    8039  
    8040 Duplicate atom serial number found: 24140 
    8041 Duplicate atom serial number found: 24142 
    8042 Duplicate atom serial number found: 24144 
    8043 Duplicate atom serial number found: 24146 
    8044 Duplicate atom serial number found: 24148 
    8045 Ignored bad PDB record found on line 84083 
    8046 ATOM 2414a OWS SOL W7696 89.135 -32.125 -19.141 1.00 0.00 O 
    8047  
    8048 Ignored bad PDB record found on line 84084 
    8049 ATOM 2414c HWS SOL W7696 88.751 -31.897 -19.987 1.00 0.00 H 
    8050  
    8051 Ignored bad PDB record found on line 84085 
    8052 ATOM 2414e HWS SOL W7696 88.506 -32.729 -18.747 1.00 0.00 H 
    8053  
    8054 Duplicate atom serial number found: 24150 
    8055 Duplicate atom serial number found: 24152 
    8056 Duplicate atom serial number found: 24154 
    8057 Duplicate atom serial number found: 24156 
    8058 Duplicate atom serial number found: 24158 
    8059 Ignored bad PDB record found on line 84091 
    8060 ATOM 2415a HWS SOL W7698 -78.416 -15.624 14.847 1.00 0.00 H 
    8061  
    8062 Ignored bad PDB record found on line 84092 
    8063 ATOM 2415c OWS SOL W7699 -66.899 -19.058 14.901 1.00 0.00 O 
    8064  
    8065 Ignored bad PDB record found on line 84093 
    8066 ATOM 2415e HWS SOL W7699 -66.120 -19.407 15.334 1.00 0.00 H 
    8067  
    8068 Duplicate atom serial number found: 24160 
    8069 Duplicate atom serial number found: 24162 
    8070 Duplicate atom serial number found: 24164 
    8071 Duplicate atom serial number found: 24166 
    8072 Duplicate atom serial number found: 24168 
    8073 Ignored bad PDB record found on line 84099 
    8074 ATOM 2416a HWS SOL W7701 -75.216 -38.157 11.904 1.00 0.00 H 
    8075  
    8076 Ignored bad PDB record found on line 84100 
    8077 ATOM 2416c HWS SOL W7701 -75.299 -37.643 13.325 1.00 0.00 H 
    8078  
    8079 Ignored bad PDB record found on line 84101 
    8080 ATOM 2416e OWS SOL W7702 85.732 -0.520 32.593 1.00 0.00 O 
    8081  
    8082 Duplicate atom serial number found: 24170 
    8083 Duplicate atom serial number found: 24172 
    8084 Duplicate atom serial number found: 24174 
    8085 Duplicate atom serial number found: 24176 
    8086 Duplicate atom serial number found: 24178 
    8087 Ignored bad PDB record found on line 84107 
    8088 ATOM 2417a OWS SOL W7704 81.161 -56.509 -17.421 1.00 0.00 O 
    8089  
    8090 Ignored bad PDB record found on line 84108 
    8091 ATOM 2417c HWS SOL W7704 81.036 -57.195 -16.766 1.00 0.00 H 
    8092  
    8093 Ignored bad PDB record found on line 84109 
    8094 ATOM 2417e HWS SOL W7704 81.200 -56.977 -18.255 1.00 0.00 H 
    8095  
    8096 Duplicate atom serial number found: 24180 
    8097 Duplicate atom serial number found: 24182 
    8098 Duplicate atom serial number found: 24184 
    8099 Duplicate atom serial number found: 24186 
    8100 Duplicate atom serial number found: 24188 
    8101 Ignored bad PDB record found on line 84115 
    8102 ATOM 2418a HWS SOL W7706 -55.723 -18.501 -0.261 1.00 0.00 H 
    8103  
    8104 Ignored bad PDB record found on line 84116 
    8105 ATOM 2418c OWS SOL W7707 -72.039 -28.447 -10.622 1.00 0.00 O 
    8106  
    8107 Ignored bad PDB record found on line 84117 
    8108 ATOM 2418e HWS SOL W7707 -72.899 -28.722 -10.305 1.00 0.00 H 
    8109  
    8110 Duplicate atom serial number found: 24190 
    8111 Duplicate atom serial number found: 24192 
    8112 Duplicate atom serial number found: 24194 
    8113 Duplicate atom serial number found: 24196 
    8114 Duplicate atom serial number found: 24198 
    8115 Ignored bad PDB record found on line 84123 
    8116 ATOM 2419a HWS SOL W7709 88.178 -18.045 -22.409 1.00 0.00 H 
    8117  
    8118 Ignored bad PDB record found on line 84124 
    8119 ATOM 2419c HWS SOL W7709 88.869 -16.698 -22.394 1.00 0.00 H 
    8120  
    8121 Ignored bad PDB record found on line 84125 
    8122 ATOM 2419e OWS SOL W7710 -86.519 -18.978 6.853 1.00 0.00 O 
    8123  
    8124 Ignored bad PDB record found on line 84126 
    8125 ATOM 241a0 HWS SOL W7710 -87.084 -19.042 7.623 1.00 0.00 H 
    8126  
    8127 Ignored bad PDB record found on line 84127 
    8128 ATOM 241a2 HWS SOL W7710 -86.059 -18.145 6.961 1.00 0.00 H 
    8129  
    8130 46 messages similar to the above omitted 
    8131 Duplicate atom serial number found: 24200 
    8132 Duplicate atom serial number found: 24202 
    8133 Duplicate atom serial number found: 24204 
    8134 Duplicate atom serial number found: 24206 
    8135 Duplicate atom serial number found: 24208 
    8136 Ignored bad PDB record found on line 84179 
    8137 ATOM 2420a OWS SOL W7728 -56.912 -37.777 -10.473 1.00 0.00 O 
    8138  
    8139 Ignored bad PDB record found on line 84180 
    8140 ATOM 2420c HWS SOL W7728 -57.814 -37.492 -10.622 1.00 0.00 H 
    8141  
    8142 Ignored bad PDB record found on line 84181 
    8143 ATOM 2420e HWS SOL W7728 -56.388 -36.985 -10.589 1.00 0.00 H 
    8144  
    8145 Duplicate atom serial number found: 24210 
    8146 Duplicate atom serial number found: 24212 
    8147 Duplicate atom serial number found: 24214 
    8148 Duplicate atom serial number found: 24216 
    8149 Duplicate atom serial number found: 24218 
    8150 Ignored bad PDB record found on line 84187 
    8151 ATOM 2421a HWS SOL W7730 -75.053 -0.291 -28.526 1.00 0.00 H 
    8152  
    8153 Ignored bad PDB record found on line 84188 
    8154 ATOM 2421c OWS SOL W7731 80.308 -24.745 -8.007 1.00 0.00 O 
    8155  
    8156 Ignored bad PDB record found on line 84189 
    8157 ATOM 2421e HWS SOL W7731 79.731 -24.233 -8.573 1.00 0.00 H 
    8158  
    8159 Duplicate atom serial number found: 24220 
    8160 Duplicate atom serial number found: 24222 
    8161 Duplicate atom serial number found: 24224 
    8162 Duplicate atom serial number found: 24226 
    8163 Duplicate atom serial number found: 24228 
    8164 Ignored bad PDB record found on line 84195 
    8165 ATOM 2422a HWS SOL W7733 -87.893 -42.341 -25.867 1.00 0.00 H 
    8166  
    8167 Ignored bad PDB record found on line 84196 
    8168 ATOM 2422c HWS SOL W7733 -87.168 -43.314 -24.961 1.00 0.00 H 
    8169  
    8170 Ignored bad PDB record found on line 84197 
    8171 ATOM 2422e OWS SOL W7734 -69.756 -41.068 -3.421 1.00 0.00 O 
    8172  
    8173 Duplicate atom serial number found: 24230 
    8174 Duplicate atom serial number found: 24232 
    8175 Duplicate atom serial number found: 24234 
    8176 Duplicate atom serial number found: 24236 
    8177 Duplicate atom serial number found: 24238 
    8178 Ignored bad PDB record found on line 84203 
    8179 ATOM 2423a OWS SOL W7736 -55.906 -6.088 9.577 1.00 0.00 O 
    8180  
    8181 Ignored bad PDB record found on line 84204 
    8182 ATOM 2423c HWS SOL W7736 -55.502 -6.272 8.729 1.00 0.00 H 
    8183  
    8184 Ignored bad PDB record found on line 84205 
    8185 ATOM 2423e HWS SOL W7736 -55.350 -6.540 10.212 1.00 0.00 H 
    8186  
    8187 Duplicate atom serial number found: 24240 
    8188 Duplicate atom serial number found: 24242 
    8189 Duplicate atom serial number found: 24244 
    8190 Duplicate atom serial number found: 24246 
    8191 Duplicate atom serial number found: 24248 
    8192 Ignored bad PDB record found on line 84211 
    8193 ATOM 2424a HWS SOL W7738 -89.196 -28.313 -7.769 1.00 0.00 H 
    8194  
    8195 Ignored bad PDB record found on line 84212 
    8196 ATOM 2424c OWS SOL W7739 -71.800 -8.982 4.358 1.00 0.00 O 
    8197  
    8198 Ignored bad PDB record found on line 84213 
    8199 ATOM 2424e HWS SOL W7739 -70.935 -8.596 4.220 1.00 0.00 H 
    8200  
    8201 Duplicate atom serial number found: 24250 
    8202 Duplicate atom serial number found: 24252 
    8203 Duplicate atom serial number found: 24254 
    8204 Duplicate atom serial number found: 24256 
    8205 Duplicate atom serial number found: 24258 
    8206 Ignored bad PDB record found on line 84219 
    8207 ATOM 2425a HWS SOL W7741 -77.946 -15.640 21.129 1.00 0.00 H 
    8208  
    8209 Ignored bad PDB record found on line 84220 
    8210 ATOM 2425c HWS SOL W7741 -79.096 -14.716 20.786 1.00 0.00 H 
    8211  
    8212 Ignored bad PDB record found on line 84221 
    8213 ATOM 2425e OWS SOL W7742 -72.736 -28.270 6.894 1.00 0.00 O 
    8214  
    8215 Duplicate atom serial number found: 24260 
    8216 Duplicate atom serial number found: 24262 
    8217 Duplicate atom serial number found: 24264 
    8218 Duplicate atom serial number found: 24266 
    8219 Duplicate atom serial number found: 24268 
    8220 Ignored bad PDB record found on line 84227 
    8221 ATOM 2426a OWS SOL W7744 -88.161 -39.835 -5.479 1.00 0.00 O 
    8222  
    8223 Ignored bad PDB record found on line 84228 
    8224 ATOM 2426c HWS SOL W7744 -88.405 -38.925 -5.647 1.00 0.00 H 
    8225  
    8226 Ignored bad PDB record found on line 84229 
    8227 ATOM 2426e HWS SOL W7744 -87.213 -39.858 -5.615 1.00 0.00 H 
    8228  
    8229 Duplicate atom serial number found: 24270 
    8230 Duplicate atom serial number found: 24272 
    8231 Duplicate atom serial number found: 24274 
    8232 Duplicate atom serial number found: 24276 
    8233 Duplicate atom serial number found: 24278 
    8234 Ignored bad PDB record found on line 84235 
    8235 ATOM 2427a HWS SOL W7746 -90.282 -54.472 -14.327 1.00 0.00 H 
    8236  
    8237 Ignored bad PDB record found on line 84236 
    8238 ATOM 2427c OWS SOL W7747 -77.013 -24.720 -11.196 1.00 0.00 O 
    8239  
    8240 Ignored bad PDB record found on line 84237 
    8241 ATOM 2427e HWS SOL W7747 -76.186 -25.198 -11.125 1.00 0.00 H 
    8242  
    8243 Duplicate atom serial number found: 24280 
    8244 Duplicate atom serial number found: 24282 
    8245 Duplicate atom serial number found: 24284 
    8246 Duplicate atom serial number found: 24286 
    8247 Duplicate atom serial number found: 24288 
    8248 Ignored bad PDB record found on line 84243 
    8249 ATOM 2428a HWS SOL W7749 -72.962 -22.853 -19.125 1.00 0.00 H 
    8250  
    8251 Ignored bad PDB record found on line 84244 
    8252 ATOM 2428c HWS SOL W7749 -71.824 -21.866 -19.272 1.00 0.00 H 
    8253  
    8254 Ignored bad PDB record found on line 84245 
    8255 ATOM 2428e OWS SOL W7750 -71.118 12.298 23.656 1.00 0.00 O 
    8256  
    8257 Duplicate atom serial number found: 24290 
    8258 Duplicate atom serial number found: 24292 
    8259 Duplicate atom serial number found: 24294 
    8260 Duplicate atom serial number found: 24296 
    8261 Duplicate atom serial number found: 24298 
    8262 Ignored bad PDB record found on line 84251 
    8263 ATOM 2429a OWS SOL W7752 -61.678 -40.389 -3.254 1.00 0.00 O 
    8264  
    8265 Ignored bad PDB record found on line 84252 
    8266 ATOM 2429c HWS SOL W7752 -60.753 -40.604 -3.131 1.00 0.00 H 
    8267  
    8268 Ignored bad PDB record found on line 84253 
    8269 ATOM 2429e HWS SOL W7752 -62.040 -40.370 -2.369 1.00 0.00 H 
    8270  
    8271 Ignored bad PDB record found on line 84254 
    8272 ATOM 242a0 OWS SOL W7753 -77.514 -16.951 0.770 1.00 0.00 O 
    8273  
    8274 Ignored bad PDB record found on line 84255 
    8275 ATOM 242a2 HWS SOL W7753 -77.332 -16.017 0.872 1.00 0.00 H 
    8276  
    8277 46 messages similar to the above omitted 
    8278 Duplicate atom serial number found: 24300 
    8279 Duplicate atom serial number found: 24302 
    8280 Duplicate atom serial number found: 24304 
    8281 Duplicate atom serial number found: 24306 
    8282 Duplicate atom serial number found: 24308 
    8283 Ignored bad PDB record found on line 84307 
    8284 ATOM 2430a HWS SOL W7770 -77.205 -48.699 20.155 1.00 0.00 H 
    8285  
    8286 Ignored bad PDB record found on line 84308 
    8287 ATOM 2430c OWS SOL W7771 -81.608 14.833 41.682 1.00 0.00 O 
    8288  
    8289 Ignored bad PDB record found on line 84309 
    8290 ATOM 2430e HWS SOL W7771 -81.526 14.220 40.951 1.00 0.00 H 
    8291  
    8292 Duplicate atom serial number found: 24310 
    8293 Duplicate atom serial number found: 24312 
    8294 Duplicate atom serial number found: 24314 
    8295 Duplicate atom serial number found: 24316 
    8296 Duplicate atom serial number found: 24318 
    8297 Ignored bad PDB record found on line 84315 
    8298 ATOM 2431a HWS SOL W7773 -66.019 -43.688 36.013 1.00 0.00 H 
    8299  
    8300 Ignored bad PDB record found on line 84316 
    8301 ATOM 2431c HWS SOL W7773 -64.807 -43.905 36.893 1.00 0.00 H 
    8302  
    8303 Ignored bad PDB record found on line 84317 
    8304 ATOM 2431e OWS SOL W7774 -77.773 -15.439 33.016 1.00 0.00 O 
    8305  
    8306 Duplicate atom serial number found: 24320 
    8307 Duplicate atom serial number found: 24322 
    8308 Duplicate atom serial number found: 24324 
    8309 Duplicate atom serial number found: 24326 
    8310 Duplicate atom serial number found: 24328 
    8311 Ignored bad PDB record found on line 84323 
    8312 ATOM 2432a OWS SOL W7776 -58.767 -33.344 30.379 1.00 0.00 O 
    8313  
    8314 Ignored bad PDB record found on line 84324 
    8315 ATOM 2432c HWS SOL W7776 -59.178 -33.369 31.243 1.00 0.00 H 
    8316  
    8317 Ignored bad PDB record found on line 84325 
    8318 ATOM 2432e HWS SOL W7776 -59.446 -33.000 29.799 1.00 0.00 H 
    8319  
    8320 Duplicate atom serial number found: 24330 
    8321 Duplicate atom serial number found: 24332 
    8322 Duplicate atom serial number found: 24334 
    8323 Duplicate atom serial number found: 24336 
    8324 Duplicate atom serial number found: 24338 
    8325 Ignored bad PDB record found on line 84331 
    8326 ATOM 2433a HWS SOL W7778 -62.305 -22.044 0.167 1.00 0.00 H 
    8327  
    8328 Ignored bad PDB record found on line 84332 
    8329 ATOM 2433c OWS SOL W7779 -83.777 -27.194 31.125 1.00 0.00 O 
    8330  
    8331 Ignored bad PDB record found on line 84333 
    8332 ATOM 2433e HWS SOL W7779 -84.676 -27.204 30.798 1.00 0.00 H 
    8333  
    8334 Duplicate atom serial number found: 24340 
    8335 Duplicate atom serial number found: 24342 
    8336 Duplicate atom serial number found: 24344 
    8337 Duplicate atom serial number found: 24346 
    8338 Duplicate atom serial number found: 24348 
    8339 Ignored bad PDB record found on line 84339 
    8340 ATOM 2434a HWS SOL W7781 -73.799 -27.209 48.009 1.00 0.00 H 
    8341  
    8342 Ignored bad PDB record found on line 84340 
    8343 ATOM 2434c HWS SOL W7781 -72.872 -26.204 48.659 1.00 0.00 H 
    8344  
    8345 Ignored bad PDB record found on line 84341 
    8346 ATOM 2434e OWS SOL W7782 -85.280 -29.287 12.083 1.00 0.00 O 
    8347  
    8348 Duplicate atom serial number found: 24350 
    8349 Duplicate atom serial number found: 24352 
    8350 Duplicate atom serial number found: 24354 
    8351 Duplicate atom serial number found: 24356 
    8352 Duplicate atom serial number found: 24358 
    8353 Ignored bad PDB record found on line 84347 
    8354 ATOM 2435a OWS SOL W7784 -66.486 -28.157 12.517 1.00 0.00 O 
    8355  
    8356 Ignored bad PDB record found on line 84348 
    8357 ATOM 2435c HWS SOL W7784 -67.264 -28.607 12.189 1.00 0.00 H 
    8358  
    8359 Ignored bad PDB record found on line 84349 
    8360 ATOM 2435e HWS SOL W7784 -65.808 -28.833 12.538 1.00 0.00 H 
    8361  
    8362 Duplicate atom serial number found: 24360 
    8363 Duplicate atom serial number found: 24362 
    8364 Duplicate atom serial number found: 24364 
    8365 Duplicate atom serial number found: 24366 
    8366 Duplicate atom serial number found: 24368 
    8367 Ignored bad PDB record found on line 84355 
    8368 ATOM 2436a HWS SOL W7786 -65.200 -37.582 30.700 1.00 0.00 H 
    8369  
    8370 Ignored bad PDB record found on line 84356 
    8371 ATOM 2436c OWS SOL W7787 -81.149 -12.441 29.460 1.00 0.00 O 
    8372  
    8373 Ignored bad PDB record found on line 84357 
    8374 ATOM 2436e HWS SOL W7787 -80.387 -11.919 29.712 1.00 0.00 H 
    8375  
    8376 Duplicate atom serial number found: 24370 
    8377 Duplicate atom serial number found: 24372 
    8378 Duplicate atom serial number found: 24374 
    8379 Duplicate atom serial number found: 24376 
    8380 Duplicate atom serial number found: 24378 
    8381 Ignored bad PDB record found on line 84363 
    8382 ATOM 2437a HWS SOL W7789 -88.041 -45.687 14.414 1.00 0.00 H 
    8383  
    8384 Ignored bad PDB record found on line 84364 
    8385 ATOM 2437c HWS SOL W7789 -88.931 -45.216 13.283 1.00 0.00 H 
    8386  
    8387 Ignored bad PDB record found on line 84365 
    8388 ATOM 2437e OWS SOL W7790 83.386 -15.736 23.039 1.00 0.00 O 
    8389  
    8390 Duplicate atom serial number found: 24380 
    8391 Duplicate atom serial number found: 24382 
    8392 Duplicate atom serial number found: 24384 
    8393 Duplicate atom serial number found: 24386 
    8394 Duplicate atom serial number found: 24388 
    8395 Ignored bad PDB record found on line 84371 
    8396 ATOM 2438a OWS SOL W7792 -82.682 -16.576 12.084 1.00 0.00 O 
    8397  
    8398 Ignored bad PDB record found on line 84372 
    8399 ATOM 2438c HWS SOL W7792 -82.098 -16.857 11.380 1.00 0.00 H 
    8400  
    8401 Ignored bad PDB record found on line 84373 
    8402 ATOM 2438e HWS SOL W7792 -83.562 -16.757 11.753 1.00 0.00 H 
    8403  
    8404 Duplicate atom serial number found: 24390 
    8405 Duplicate atom serial number found: 24392 
    8406 Duplicate atom serial number found: 24394 
    8407 Duplicate atom serial number found: 24396 
    8408 Duplicate atom serial number found: 24398 
    8409 Ignored bad PDB record found on line 84379 
    8410 ATOM 2439a HWS SOL W7794 -56.168 -24.441 15.111 1.00 0.00 H 
    8411  
    8412 Ignored bad PDB record found on line 84380 
    8413 ATOM 2439c OWS SOL W7795 -72.178 -48.507 55.745 1.00 0.00 O 
    8414  
    8415 Ignored bad PDB record found on line 84381 
    8416 ATOM 2439e HWS SOL W7795 -73.070 -48.425 56.081 1.00 0.00 H 
    8417  
    8418 Ignored bad PDB record found on line 84382 
    8419 ATOM 243a0 HWS SOL W7795 -72.288 -48.818 54.846 1.00 0.00 H 
    8420  
    8421 Ignored bad PDB record found on line 84383 
    8422 ATOM 243a2 OWS SOL W7796 -79.176 -44.263 39.712 1.00 0.00 O 
    8423  
    8424 46 messages similar to the above omitted 
    8425 Duplicate atom serial number found: 24400 
    8426 Duplicate atom serial number found: 24402 
    8427 Duplicate atom serial number found: 24404 
    8428 Duplicate atom serial number found: 24406 
    8429 Duplicate atom serial number found: 24408 
    8430 Ignored bad PDB record found on line 84435 
    8431 ATOM 2440a HWS SOL W7813 83.887 -31.473 21.187 1.00 0.00 H 
    8432  
    8433 Ignored bad PDB record found on line 84436 
    8434 ATOM 2440c HWS SOL W7813 84.848 -30.492 21.824 1.00 0.00 H 
    8435  
    8436 Ignored bad PDB record found on line 84437 
    8437 ATOM 2440e OWS SOL W7814 86.632 -29.306 26.795 1.00 0.00 O 
    8438  
    8439 Duplicate atom serial number found: 24410 
    8440 Duplicate atom serial number found: 24412 
    8441 Duplicate atom serial number found: 24414 
    8442 Duplicate atom serial number found: 24416 
    8443 Duplicate atom serial number found: 24418 
    8444 Ignored bad PDB record found on line 84443 
    8445 ATOM 2441a OWS SOL W7816 -81.046 -10.179 47.148 1.00 0.00 O 
    8446  
    8447 Ignored bad PDB record found on line 84444 
    8448 ATOM 2441c HWS SOL W7816 -81.031 -10.513 46.251 1.00 0.00 H 
    8449  
    8450 Ignored bad PDB record found on line 84445 
    8451 ATOM 2441e HWS SOL W7816 -80.126 -10.156 47.411 1.00 0.00 H 
    8452  
    8453 Duplicate atom serial number found: 24420 
    8454 Duplicate atom serial number found: 24422 
    8455 Duplicate atom serial number found: 24424 
    8456 Duplicate atom serial number found: 24426 
    8457 Duplicate atom serial number found: 24428 
    8458 Ignored bad PDB record found on line 84451 
    8459 ATOM 2442a HWS SOL W7818 -62.775 -9.679 45.373 1.00 0.00 H 
    8460  
    8461 Ignored bad PDB record found on line 84452 
    8462 ATOM 2442c OWS SOL W7819 79.113 -22.590 31.189 1.00 0.00 O 
    8463  
    8464 Ignored bad PDB record found on line 84453 
    8465 ATOM 2442e HWS SOL W7819 78.750 -21.748 30.913 1.00 0.00 H 
    8466  
    8467 Duplicate atom serial number found: 24430 
    8468 Duplicate atom serial number found: 24432 
    8469 Duplicate atom serial number found: 24434 
    8470 Duplicate atom serial number found: 24436 
    8471 Duplicate atom serial number found: 24438 
    8472 Ignored bad PDB record found on line 84459 
    8473 ATOM 2443a HWS SOL W7821 80.672 -19.859 11.897 1.00 0.00 H 
    8474  
    8475 Ignored bad PDB record found on line 84460 
    8476 ATOM 2443c HWS SOL W7821 79.591 -20.918 11.868 1.00 0.00 H 
    8477  
    8478 Ignored bad PDB record found on line 84461 
    8479 ATOM 2443e OWS SOL W7822 86.014 -24.685 23.756 1.00 0.00 O 
    8480  
    8481 Duplicate atom serial number found: 24440 
    8482 Duplicate atom serial number found: 24442 
    8483 Duplicate atom serial number found: 24444 
    8484 Duplicate atom serial number found: 24446 
    8485 Duplicate atom serial number found: 24448 
    8486 Ignored bad PDB record found on line 84467 
    8487 ATOM 2444a OWS SOL W7824 -80.413 1.775 22.034 1.00 0.00 O 
    8488  
    8489 Ignored bad PDB record found on line 84468 
    8490 ATOM 2444c HWS SOL W7824 -79.849 1.537 21.298 1.00 0.00 H 
    8491  
    8492 Ignored bad PDB record found on line 84469 
    8493 ATOM 2444e HWS SOL W7824 -81.201 1.245 21.914 1.00 0.00 H 
    8494  
    8495 Duplicate atom serial number found: 24450 
    8496 Duplicate atom serial number found: 24452 
    8497 Duplicate atom serial number found: 24454 
    8498 Duplicate atom serial number found: 24456 
    8499 Duplicate atom serial number found: 24458 
    8500 Ignored bad PDB record found on line 84475 
    8501 ATOM 2445a HWS SOL W7826 86.200 -19.928 23.644 1.00 0.00 H 
    8502  
    8503 Ignored bad PDB record found on line 84476 
    8504 ATOM 2445c OWS SOL W7827 84.240 -12.352 29.595 1.00 0.00 O 
    8505  
    8506 Ignored bad PDB record found on line 84477 
    8507 ATOM 2445e HWS SOL W7827 84.837 -13.083 29.432 1.00 0.00 H 
    8508  
    8509 Duplicate atom serial number found: 24460 
    8510 Duplicate atom serial number found: 24462 
    8511 Duplicate atom serial number found: 24464 
    8512 Duplicate atom serial number found: 24466 
    8513 Duplicate atom serial number found: 24468 
    8514 Ignored bad PDB record found on line 84483 
    8515 ATOM 2446a HWS SOL W7829 -60.285 -22.309 25.806 1.00 0.00 H 
    8516  
    8517 Ignored bad PDB record found on line 84484 
    8518 ATOM 2446c HWS SOL W7829 -60.925 -23.674 25.663 1.00 0.00 H 
    8519  
    8520 Ignored bad PDB record found on line 84485 
    8521 ATOM 2446e OWS SOL W7830 -73.626 -61.744 45.213 1.00 0.00 O 
    8522  
    8523 Duplicate atom serial number found: 24470 
    8524 Duplicate atom serial number found: 24472 
    8525 Duplicate atom serial number found: 24474 
    8526 Duplicate atom serial number found: 24476 
    8527 Duplicate atom serial number found: 24478 
    8528 Ignored bad PDB record found on line 84491 
    8529 ATOM 2447a OWS SOL W7832 -58.067 -38.574 22.098 1.00 0.00 O 
    8530  
    8531 Ignored bad PDB record found on line 84492 
    8532 ATOM 2447c HWS SOL W7832 -58.729 -39.217 22.348 1.00 0.00 H 
    8533  
    8534 Ignored bad PDB record found on line 84493 
    8535 ATOM 2447e HWS SOL W7832 -57.423 -38.604 22.806 1.00 0.00 H 
    8536  
    8537 Duplicate atom serial number found: 24480 
    8538 Duplicate atom serial number found: 24482 
    8539 Duplicate atom serial number found: 24484 
    8540 Duplicate atom serial number found: 24486 
    8541 Duplicate atom serial number found: 24488 
    8542 Ignored bad PDB record found on line 84499 
    8543 ATOM 2448a HWS SOL W7834 -77.338 -55.204 23.217 1.00 0.00 H 
    8544  
    8545 Ignored bad PDB record found on line 84500 
    8546 ATOM 2448c OWS SOL W7835 -69.689 -55.186 1.224 1.00 0.00 O 
    8547  
    8548 Ignored bad PDB record found on line 84501 
    8549 ATOM 2448e HWS SOL W7835 -70.160 -55.346 0.406 1.00 0.00 H 
    8550  
    8551 Duplicate atom serial number found: 24490 
    8552 Duplicate atom serial number found: 24492 
    8553 Duplicate atom serial number found: 24494 
    8554 Duplicate atom serial number found: 24496 
    8555 Duplicate atom serial number found: 24498 
    8556 Ignored bad PDB record found on line 84507 
    8557 ATOM 2449a HWS SOL W7837 -87.219 -12.271 15.996 1.00 0.00 H 
    8558  
    8559 Ignored bad PDB record found on line 84508 
    8560 ATOM 2449c HWS SOL W7837 -86.165 -12.011 14.942 1.00 0.00 H 
    8561  
    8562 Ignored bad PDB record found on line 84509 
    8563 ATOM 2449e OWS SOL W7838 -85.013 -37.615 12.356 1.00 0.00 O 
    8564  
    8565 Ignored bad PDB record found on line 84510 
    8566 ATOM 244a0 HWS SOL W7838 -85.459 -37.336 11.556 1.00 0.00 H 
    8567  
    8568 Ignored bad PDB record found on line 84511 
    8569 ATOM 244a2 HWS SOL W7838 -85.147 -36.893 12.969 1.00 0.00 H 
    8570  
    8571 46 messages similar to the above omitted 
    8572 Duplicate atom serial number found: 24500 
    8573 Duplicate atom serial number found: 24502 
    8574 Duplicate atom serial number found: 24504 
    8575 Duplicate atom serial number found: 24506 
    8576 Duplicate atom serial number found: 24508 
    8577 Ignored bad PDB record found on line 84563 
    8578 ATOM 2450a OWS SOL W7856 -87.245 6.949 35.528 1.00 0.00 O 
    8579  
    8580 Ignored bad PDB record found on line 84564 
    8581 ATOM 2450c HWS SOL W7856 -87.579 7.718 35.067 1.00 0.00 H 
    8582  
    8583 Ignored bad PDB record found on line 84565 
    8584 ATOM 2450e HWS SOL W7856 -88.029 6.481 35.814 1.00 0.00 H 
    8585  
    8586 Duplicate atom serial number found: 24510 
    8587 Duplicate atom serial number found: 24512 
    8588 Duplicate atom serial number found: 24514 
    8589 Duplicate atom serial number found: 24516 
    8590 Duplicate atom serial number found: 24518 
    8591 Ignored bad PDB record found on line 84571 
    8592 ATOM 2451a HWS SOL W7858 -87.753 -42.063 44.850 1.00 0.00 H 
    8593  
    8594 Ignored bad PDB record found on line 84572 
    8595 ATOM 2451c OWS SOL W7859 -76.973 -30.105 45.710 1.00 0.00 O 
    8596  
    8597 Ignored bad PDB record found on line 84573 
    8598 ATOM 2451e HWS SOL W7859 -77.191 -30.260 46.629 1.00 0.00 H 
    8599  
    8600 Duplicate atom serial number found: 24520 
    8601 Duplicate atom serial number found: 24522 
    8602 Duplicate atom serial number found: 24524 
    8603 Duplicate atom serial number found: 24526 
    8604 Duplicate atom serial number found: 24528 
    8605 Ignored bad PDB record found on line 84579 
    8606 ATOM 2452a HWS SOL W7861 -85.422 -40.538 36.796 1.00 0.00 H 
    8607  
    8608 Ignored bad PDB record found on line 84580 
    8609 ATOM 2452c HWS SOL W7861 -85.270 -39.045 36.995 1.00 0.00 H 
    8610  
    8611 Ignored bad PDB record found on line 84581 
    8612 ATOM 2452e OWS SOL W7862 -90.326 -45.086 55.013 1.00 0.00 O 
    8613  
    8614 Duplicate atom serial number found: 24530 
    8615 Duplicate atom serial number found: 24532 
    8616 Duplicate atom serial number found: 24534 
    8617 Duplicate atom serial number found: 24536 
    8618 Duplicate atom serial number found: 24538 
    8619 Ignored bad PDB record found on line 84587 
    8620 ATOM 2453a OWS SOL W7864 -71.820 -14.401 48.668 1.00 0.00 O 
    8621  
    8622 Ignored bad PDB record found on line 84588 
    8623 ATOM 2453c HWS SOL W7864 -71.155 -14.895 48.188 1.00 0.00 H 
    8624  
    8625 Ignored bad PDB record found on line 84589 
    8626 ATOM 2453e HWS SOL W7864 -72.303 -15.064 49.160 1.00 0.00 H 
    8627  
    8628 Duplicate atom serial number found: 24540 
    8629 Duplicate atom serial number found: 24542 
    8630 Duplicate atom serial number found: 24544 
    8631 Duplicate atom serial number found: 24546 
    8632 Duplicate atom serial number found: 24548 
    8633 Ignored bad PDB record found on line 84595 
    8634 ATOM 2454a HWS SOL W7866 80.817 -26.822 38.851 1.00 0.00 H 
    8635  
    8636 Ignored bad PDB record found on line 84596 
    8637 ATOM 2454c OWS SOL W7867 -77.147 -37.660 17.692 1.00 0.00 O 
    8638  
    8639 Ignored bad PDB record found on line 84597 
    8640 ATOM 2454e HWS SOL W7867 -76.687 -36.821 17.648 1.00 0.00 H 
    8641  
    8642 Duplicate atom serial number found: 24550 
    8643 Duplicate atom serial number found: 24552 
    8644 Duplicate atom serial number found: 24554 
    8645 Duplicate atom serial number found: 24556 
    8646 Duplicate atom serial number found: 24558 
    8647 Ignored bad PDB record found on line 84603 
    8648 ATOM 2455a HWS SOL W7869 -82.479 -12.964 21.972 1.00 0.00 H 
    8649  
    8650 Ignored bad PDB record found on line 84604 
    8651 ATOM 2455c HWS SOL W7869 -83.248 -12.027 22.879 1.00 0.00 H 
    8652  
    8653 Ignored bad PDB record found on line 84605 
    8654 ATOM 2455e OWS SOL W7870 -73.180 -48.827 20.441 1.00 0.00 O 
    8655  
    8656 Duplicate atom serial number found: 24560 
    8657 Duplicate atom serial number found: 24562 
    8658 Duplicate atom serial number found: 24564 
    8659 Duplicate atom serial number found: 24566 
    8660 Duplicate atom serial number found: 24568 
    8661 Ignored bad PDB record found on line 84611 
    8662 ATOM 2456a OWS SOL W7872 86.010 -27.199 36.299 1.00 0.00 O 
    8663  
    8664 Ignored bad PDB record found on line 84612 
    8665 ATOM 2456c HWS SOL W7872 86.964 -27.145 36.240 1.00 0.00 H 
    8666  
    8667 Ignored bad PDB record found on line 84613 
    8668 ATOM 2456e HWS SOL W7872 85.831 -28.129 36.436 1.00 0.00 H 
    8669  
    8670 Duplicate atom serial number found: 24570 
    8671 Duplicate atom serial number found: 24572 
    8672 Duplicate atom serial number found: 24574 
    8673 Duplicate atom serial number found: 24576 
    8674 Duplicate atom serial number found: 24578 
    8675 Ignored bad PDB record found on line 84619 
    8676 ATOM 2457a HWS SOL W7874 -89.200 -26.214 25.702 1.00 0.00 H 
    8677  
    8678 Ignored bad PDB record found on line 84620 
    8679 ATOM 2457c OWS SOL W7875 -66.851 -14.216 14.325 1.00 0.00 O 
    8680  
    8681 Ignored bad PDB record found on line 84621 
    8682 ATOM 2457e HWS SOL W7875 -66.656 -14.839 15.024 1.00 0.00 H 
    8683  
    8684 Duplicate atom serial number found: 24580 
    8685 Duplicate atom serial number found: 24582 
    8686 Duplicate atom serial number found: 24584 
    8687 Duplicate atom serial number found: 24586 
    8688 Duplicate atom serial number found: 24588 
    8689 Ignored bad PDB record found on line 84627 
    8690 ATOM 2458a HWS SOL W7877 -46.897 -26.609 26.658 1.00 0.00 H 
    8691  
    8692 Ignored bad PDB record found on line 84628 
    8693 ATOM 2458c HWS SOL W7877 -48.124 -26.757 27.533 1.00 0.00 H 
    8694  
    8695 Ignored bad PDB record found on line 84629 
    8696 ATOM 2458e OWS SOL W7878 -68.772 -8.099 24.056 1.00 0.00 O 
    8697  
    8698 Duplicate atom serial number found: 24590 
    8699 Duplicate atom serial number found: 24592 
    8700 Duplicate atom serial number found: 24594 
    8701 Duplicate atom serial number found: 24596 
    8702 Duplicate atom serial number found: 24598 
    8703 Ignored bad PDB record found on line 84635 
    8704 ATOM 2459a OWS SOL W7880 -72.550 -23.213 8.139 1.00 0.00 O 
    8705  
    8706 Ignored bad PDB record found on line 84636 
    8707 ATOM 2459c HWS SOL W7880 -72.893 -23.456 7.280 1.00 0.00 H 
    8708  
    8709 Ignored bad PDB record found on line 84637 
    8710 ATOM 2459e HWS SOL W7880 -71.601 -23.313 8.056 1.00 0.00 H 
    8711  
    8712 Ignored bad PDB record found on line 84638 
    8713 ATOM 245a0 OWS SOL W7881 -87.294 -16.203 33.126 1.00 0.00 O 
    8714  
    8715 Ignored bad PDB record found on line 84639 
    8716 ATOM 245a2 HWS SOL W7881 -88.006 -15.661 32.785 1.00 0.00 H 
    8717  
    8718 46 messages similar to the above omitted 
    8719 Duplicate atom serial number found: 24600 
    8720 Duplicate atom serial number found: 24602 
    8721 Duplicate atom serial number found: 24604 
    8722 Duplicate atom serial number found: 24606 
    8723 Duplicate atom serial number found: 24608 
    8724 Ignored bad PDB record found on line 84691 
    8725 ATOM 2460a HWS SOL W7899 -63.624 -11.169 12.390 1.00 0.00 H 
    8726  
    8727 Ignored bad PDB record found on line 84692 
    8728 ATOM 2460c OWS SOL W7900 -67.665 -18.715 30.922 1.00 0.00 O 
    8729  
    8730 Ignored bad PDB record found on line 84693 
    8731 ATOM 2460e HWS SOL W7900 -66.880 -18.176 30.829 1.00 0.00 H 
    8732  
    8733 Duplicate atom serial number found: 24610 
    8734 Duplicate atom serial number found: 24612 
    8735 Duplicate atom serial number found: 24614 
    8736 Duplicate atom serial number found: 24616 
    8737 Duplicate atom serial number found: 24618 
    8738 Ignored bad PDB record found on line 84699 
    8739 ATOM 2461a HWS SOL W7902 -69.028 -40.534 29.045 1.00 0.00 H 
    8740  
    8741 Ignored bad PDB record found on line 84700 
    8742 ATOM 2461c HWS SOL W7902 -70.466 -41.003 28.990 1.00 0.00 H 
    8743  
    8744 Ignored bad PDB record found on line 84701 
    8745 ATOM 2461e OWS SOL W7903 83.988 -23.385 25.105 1.00 0.00 O 
    8746  
    8747 Duplicate atom serial number found: 24620 
    8748 Duplicate atom serial number found: 24622 
    8749 Duplicate atom serial number found: 24624 
    8750 Duplicate atom serial number found: 24626 
    8751 Duplicate atom serial number found: 24628 
    8752 Ignored bad PDB record found on line 84707 
    8753 ATOM 2462a OWS SOL W7905 -84.292 -39.125 18.760 1.00 0.00 O 
    8754  
    8755 Ignored bad PDB record found on line 84708 
    8756 ATOM 2462c HWS SOL W7905 -84.304 -39.382 19.682 1.00 0.00 H 
    8757  
    8758 Ignored bad PDB record found on line 84709 
    8759 ATOM 2462e HWS SOL W7905 -83.544 -39.595 18.390 1.00 0.00 H 
    8760  
    8761 Duplicate atom serial number found: 24630 
    8762 Duplicate atom serial number found: 24632 
    8763 Duplicate atom serial number found: 24634 
    8764 Duplicate atom serial number found: 24636 
    8765 Duplicate atom serial number found: 24638 
    8766 Ignored bad PDB record found on line 84715 
    8767 ATOM 2463a HWS SOL W7907 -78.211 -10.471 29.136 1.00 0.00 H 
    8768  
    8769 Ignored bad PDB record found on line 84716 
    8770 ATOM 2463c OWS SOL W7908 88.424 -7.017 21.591 1.00 0.00 O 
    8771  
    8772 Ignored bad PDB record found on line 84717 
    8773 ATOM 2463e HWS SOL W7908 88.542 -6.898 20.648 1.00 0.00 H 
    8774  
    8775 Duplicate atom serial number found: 24640 
    8776 Duplicate atom serial number found: 24642 
    8777 Duplicate atom serial number found: 24644 
    8778 Duplicate atom serial number found: 24646 
    8779 Duplicate atom serial number found: 24648 
    8780 Ignored bad PDB record found on line 84723 
    8781 ATOM 2464a HWS SOL W7910 84.347 -43.860 49.423 1.00 0.00 H 
    8782  
    8783 Ignored bad PDB record found on line 84724 
    8784 ATOM 2464c HWS SOL W7910 84.405 -43.490 47.956 1.00 0.00 H 
    8785  
    8786 Ignored bad PDB record found on line 84725 
    8787 ATOM 2464e OWS SOL W7911 -74.749 -34.428 10.387 1.00 0.00 O 
    8788  
    8789 Duplicate atom serial number found: 24650 
    8790 Duplicate atom serial number found: 24652 
    8791 Duplicate atom serial number found: 24654 
    8792 Duplicate atom serial number found: 24656 
    8793 Duplicate atom serial number found: 24658 
    8794 Ignored bad PDB record found on line 84731 
    8795 ATOM 2465a OWS SOL W7913 68.833 -41.431 16.151 1.00 0.00 O 
    8796  
    8797 Ignored bad PDB record found on line 84732 
    8798 ATOM 2465c HWS SOL W7913 69.262 -42.208 15.793 1.00 0.00 H 
    8799  
    8800 Ignored bad PDB record found on line 84733 
    8801 ATOM 2465e HWS SOL W7913 68.206 -41.170 15.476 1.00 0.00 H 
    8802  
    8803 Duplicate atom serial number found: 24660 
    8804 Duplicate atom serial number found: 24662 
    8805 Duplicate atom serial number found: 24664 
    8806 Duplicate atom serial number found: 24666 
    8807 Duplicate atom serial number found: 24668 
    8808 Ignored bad PDB record found on line 84739 
    8809 ATOM 2466a HWS SOL W7915 -77.867 -19.820 10.483 1.00 0.00 H 
    8810  
    8811 Ignored bad PDB record found on line 84740 
    8812 ATOM 2466c OWS SOL W7916 -69.677 -39.321 20.562 1.00 0.00 O 
    8813  
    8814 Ignored bad PDB record found on line 84741 
    8815 ATOM 2466e HWS SOL W7916 -69.648 -40.276 20.626 1.00 0.00 H 
    8816  
    8817 Duplicate atom serial number found: 24670 
    8818 Duplicate atom serial number found: 24672 
    8819 Duplicate atom serial number found: 24674 
    8820 Duplicate atom serial number found: 24676 
    8821 Duplicate atom serial number found: 24678 
    8822 Ignored bad PDB record found on line 84747 
    8823 ATOM 2467a HWS SOL W7918 -66.539 -44.605 22.293 1.00 0.00 H 
    8824  
    8825 Ignored bad PDB record found on line 84748 
    8826 ATOM 2467c HWS SOL W7918 -66.686 -44.007 23.676 1.00 0.00 H 
    8827  
    8828 Ignored bad PDB record found on line 84749 
    8829 ATOM 2467e OWS SOL W7919 -82.966 -3.489 16.139 1.00 0.00 O 
    8830  
    8831 Duplicate atom serial number found: 24680 
    8832 Duplicate atom serial number found: 24682 
    8833 Duplicate atom serial number found: 24684 
    8834 Duplicate atom serial number found: 24686 
    8835 Duplicate atom serial number found: 24688 
    8836 Ignored bad PDB record found on line 84755 
    8837 ATOM 2468a OWS SOL W7921 -73.789 -32.348 40.451 1.00 0.00 O 
    8838  
    8839 Ignored bad PDB record found on line 84756 
    8840 ATOM 2468c HWS SOL W7921 -73.719 -32.114 41.377 1.00 0.00 H 
    8841  
    8842 Ignored bad PDB record found on line 84757 
    8843 ATOM 2468e HWS SOL W7921 -72.980 -32.021 40.059 1.00 0.00 H 
    8844  
    8845 Duplicate atom serial number found: 24690 
    8846 Duplicate atom serial number found: 24692 
    8847 Duplicate atom serial number found: 24694 
    8848 Duplicate atom serial number found: 24696 
    8849 Duplicate atom serial number found: 24698 
    8850 Ignored bad PDB record found on line 84763 
    8851 ATOM 2469a HWS SOL W7923 -83.621 2.120 31.338 1.00 0.00 H 
    8852  
    8853 Ignored bad PDB record found on line 84764 
    8854 ATOM 2469c OWS SOL W7924 -82.033 -16.061 33.005 1.00 0.00 O 
    8855  
    8856 Ignored bad PDB record found on line 84765 
    8857 ATOM 2469e HWS SOL W7924 -82.250 -16.815 32.458 1.00 0.00 H 
    8858  
    8859 Ignored bad PDB record found on line 84766 
    8860 ATOM 246a0 HWS SOL W7924 -81.372 -15.583 32.505 1.00 0.00 H 
    8861  
    8862 Ignored bad PDB record found on line 84767 
    8863 ATOM 246a2 OWS SOL W7925 85.376 -11.971 12.499 1.00 0.00 O 
    8864  
    8865 46 messages similar to the above omitted 
    8866 Duplicate atom serial number found: 24700 
    8867 Duplicate atom serial number found: 24702 
    8868 Duplicate atom serial number found: 24704 
    8869 Duplicate atom serial number found: 24706 
    8870 Duplicate atom serial number found: 24708 
    8871 Ignored bad PDB record found on line 84819 
    8872 ATOM 2470a HWS SOL W7942 -77.551 -2.989 27.298 1.00 0.00 H 
    8873  
    8874 Ignored bad PDB record found on line 84820 
    8875 ATOM 2470c HWS SOL W7942 -76.424 -3.891 26.841 1.00 0.00 H 
    8876  
    8877 Ignored bad PDB record found on line 84821 
    8878 ATOM 2470e OWS SOL W7943 -77.922 -15.652 12.329 1.00 0.00 O 
    8879  
    8880 Duplicate atom serial number found: 24710 
    8881 Duplicate atom serial number found: 24712 
    8882 Duplicate atom serial number found: 24714 
    8883 Duplicate atom serial number found: 24716 
    8884 Duplicate atom serial number found: 24718 
    8885 Ignored bad PDB record found on line 84827 
    8886 ATOM 2471a OWS SOL W7945 -86.725 -27.715 19.695 1.00 0.00 O 
    8887  
    8888 Ignored bad PDB record found on line 84828 
    8889 ATOM 2471c HWS SOL W7945 -85.996 -28.133 19.237 1.00 0.00 H 
    8890  
    8891 Ignored bad PDB record found on line 84829 
    8892 ATOM 2471e HWS SOL W7945 -87.468 -27.809 19.098 1.00 0.00 H 
    8893  
    8894 Duplicate atom serial number found: 24720 
    8895 Duplicate atom serial number found: 24722 
    8896 Duplicate atom serial number found: 24724 
    8897 Duplicate atom serial number found: 24726 
    8898 Duplicate atom serial number found: 24728 
    8899 Ignored bad PDB record found on line 84835 
    8900 ATOM 2472a HWS SOL W7947 87.323 -18.427 34.910 1.00 0.00 H 
    8901  
    8902 Ignored bad PDB record found on line 84836 
    8903 ATOM 2472c OWS SOL W7948 73.043 -13.273 36.573 1.00 0.00 O 
    8904  
    8905 Ignored bad PDB record found on line 84837 
    8906 ATOM 2472e HWS SOL W7948 73.111 -13.635 37.456 1.00 0.00 H 
    8907  
    8908 Duplicate atom serial number found: 24730 
    8909 Duplicate atom serial number found: 24732 
    8910 Duplicate atom serial number found: 24734 
    8911 Duplicate atom serial number found: 24736 
    8912 Duplicate atom serial number found: 24738 
    8913 Ignored bad PDB record found on line 84843 
    8914 ATOM 2473a HWS SOL W7950 -76.257 -42.071 52.466 1.00 0.00 H 
    8915  
    8916 Ignored bad PDB record found on line 84844 
    8917 ATOM 2473c HWS SOL W7950 -75.526 -40.763 52.680 1.00 0.00 H 
    8918  
    8919 Ignored bad PDB record found on line 84845 
    8920 ATOM 2473e OWS SOL W7951 -72.322 -3.875 34.693 1.00 0.00 O 
    8921  
    8922 Duplicate atom serial number found: 24740 
    8923 Duplicate atom serial number found: 24742 
    8924 Duplicate atom serial number found: 24744 
    8925 Duplicate atom serial number found: 24746 
    8926 Duplicate atom serial number found: 24748 
    8927 Ignored bad PDB record found on line 84851 
    8928 ATOM 2474a OWS SOL W7953 88.466 -14.922 36.937 1.00 0.00 O 
    8929  
    8930 Ignored bad PDB record found on line 84852 
    8931 ATOM 2474c HWS SOL W7953 88.199 -14.240 37.554 1.00 0.00 H 
    8932  
    8933 Ignored bad PDB record found on line 84853 
    8934 ATOM 2474e HWS SOL W7953 89.085 -14.486 36.352 1.00 0.00 H 
    8935  
    8936 Duplicate atom serial number found: 24750 
    8937 Duplicate atom serial number found: 24752 
    8938 Duplicate atom serial number found: 24754 
    8939 Duplicate atom serial number found: 24756 
    8940 Duplicate atom serial number found: 24758 
    8941 Ignored bad PDB record found on line 84859 
    8942 ATOM 2475a HWS SOL W7955 86.031 -35.958 9.703 1.00 0.00 H 
    8943  
    8944 Ignored bad PDB record found on line 84860 
    8945 ATOM 2475c OWS SOL W7956 -86.189 -31.869 13.353 1.00 0.00 O 
    8946  
    8947 Ignored bad PDB record found on line 84861 
    8948 ATOM 2475e HWS SOL W7956 -85.530 -32.231 13.946 1.00 0.00 H 
    8949  
    8950 Duplicate atom serial number found: 24760 
    8951 Duplicate atom serial number found: 24762 
    8952 Duplicate atom serial number found: 24764 
    8953 Duplicate atom serial number found: 24766 
    8954 Duplicate atom serial number found: 24768 
    8955 Ignored bad PDB record found on line 84867 
    8956 ATOM 2476a HWS SOL W7958 -89.612 -24.537 24.335 1.00 0.00 H 
    8957  
    8958 Ignored bad PDB record found on line 84868 
    8959 ATOM 2476c HWS SOL W7958 -90.215 -23.148 24.297 1.00 0.00 H 
    8960  
    8961 Ignored bad PDB record found on line 84869 
    8962 ATOM 2476e OWS SOL W7959 -45.545 -28.717 37.327 1.00 0.00 O 
    8963  
    8964 Duplicate atom serial number found: 24770 
    8965 Duplicate atom serial number found: 24772 
    8966 Duplicate atom serial number found: 24774 
    8967 Duplicate atom serial number found: 24776 
    8968 Duplicate atom serial number found: 24778 
    8969 Ignored bad PDB record found on line 84875 
    8970 ATOM 2477a OWS SOL W7961 -64.344 -29.484 36.091 1.00 0.00 O 
    8971  
    8972 Ignored bad PDB record found on line 84876 
    8973 ATOM 2477c HWS SOL W7961 -64.095 -30.402 35.985 1.00 0.00 H 
    8974  
    8975 Ignored bad PDB record found on line 84877 
    8976 ATOM 2477e HWS SOL W7961 -63.541 -28.995 35.910 1.00 0.00 H 
    8977  
    8978 Duplicate atom serial number found: 24780 
    8979 Duplicate atom serial number found: 24782 
    8980 Duplicate atom serial number found: 24784 
    8981 Duplicate atom serial number found: 24786 
    8982 Duplicate atom serial number found: 24788 
    8983 Ignored bad PDB record found on line 84883 
    8984 ATOM 2478a HWS SOL W7963 -66.238 -35.064 46.089 1.00 0.00 H 
    8985  
    8986 Ignored bad PDB record found on line 84884 
    8987 ATOM 2478c OWS SOL W7964 -78.075 -9.811 36.635 1.00 0.00 O 
    8988  
    8989 Ignored bad PDB record found on line 84885 
    8990 ATOM 2478e HWS SOL W7964 -78.731 -9.332 36.129 1.00 0.00 H 
    8991  
    8992 Duplicate atom serial number found: 24790 
    8993 Duplicate atom serial number found: 24792 
    8994 Duplicate atom serial number found: 24794 
    8995 Duplicate atom serial number found: 24796 
    8996 Duplicate atom serial number found: 24798 
    8997 Ignored bad PDB record found on line 84891 
    8998 ATOM 2479a HWS SOL W7966 69.199 -37.969 -0.208 1.00 0.00 H 
    8999  
    9000 Ignored bad PDB record found on line 84892 
    9001 ATOM 2479c HWS SOL W7966 70.401 -38.682 0.375 1.00 0.00 H 
    9002  
    9003 Ignored bad PDB record found on line 84893 
    9004 ATOM 2479e OWS SOL W7967 -72.744 -6.869 26.675 1.00 0.00 O 
    9005  
    9006 Ignored bad PDB record found on line 84894 
    9007 ATOM 247a0 HWS SOL W7967 -72.782 -6.356 25.867 1.00 0.00 H 
    9008  
    9009 Ignored bad PDB record found on line 84895 
    9010 ATOM 247a2 HWS SOL W7967 -73.579 -6.696 27.109 1.00 0.00 H 
    9011  
    9012 46 messages similar to the above omitted 
    9013 Duplicate atom serial number found: 24800 
    9014 Duplicate atom serial number found: 24802 
    9015 Duplicate atom serial number found: 24804 
    9016 Duplicate atom serial number found: 24806 
    9017 Duplicate atom serial number found: 24808 
    9018 Ignored bad PDB record found on line 84947 
    9019 ATOM 2480a OWS SOL W7985 -85.084 -21.597 42.168 1.00 0.00 O 
    9020  
    9021 Ignored bad PDB record found on line 84948 
    9022 ATOM 2480c HWS SOL W7985 -84.424 -21.144 41.642 1.00 0.00 H 
    9023  
    9024 Ignored bad PDB record found on line 84949 
    9025 ATOM 2480e HWS SOL W7985 -85.724 -20.918 42.385 1.00 0.00 H 
    9026  
    9027 Duplicate atom serial number found: 24810 
    9028 Duplicate atom serial number found: 24812 
    9029 Duplicate atom serial number found: 24814 
    9030 Duplicate atom serial number found: 24816 
    9031 Duplicate atom serial number found: 24818 
    9032 Ignored bad PDB record found on line 84955 
    9033 ATOM 2481a HWS SOL W7987 -86.271 -38.904 47.580 1.00 0.00 H 
    9034  
    9035 Ignored bad PDB record found on line 84956 
    9036 ATOM 2481c OWS SOL W7988 -66.116 -24.261 44.777 1.00 0.00 O 
    9037  
    9038 Ignored bad PDB record found on line 84957 
    9039 ATOM 2481e HWS SOL W7988 -65.389 -24.799 45.090 1.00 0.00 H 
    9040  
    9041 Duplicate atom serial number found: 24820 
    9042 Duplicate atom serial number found: 24822 
    9043 Duplicate atom serial number found: 24824 
    9044 Duplicate atom serial number found: 24826 
    9045 Duplicate atom serial number found: 24828 
    9046 Ignored bad PDB record found on line 84963 
    9047 ATOM 2482a HWS SOL W7990 -62.799 -35.511 41.686 1.00 0.00 H 
    9048  
    9049 Ignored bad PDB record found on line 84964 
    9050 ATOM 2482c HWS SOL W7990 -64.299 -35.311 41.651 1.00 0.00 H 
    9051  
    9052 Ignored bad PDB record found on line 84965 
    9053 ATOM 2482e OWS SOL W7991 -65.871 -38.577 33.578 1.00 0.00 O 
    9054  
    9055 Duplicate atom serial number found: 24830 
    9056 Duplicate atom serial number found: 24832 
    9057 Duplicate atom serial number found: 24834 
    9058 Duplicate atom serial number found: 24836 
    9059 Duplicate atom serial number found: 24838 
    9060 Ignored bad PDB record found on line 84971 
    9061 ATOM 2483a OWS SOL W7993 -74.168 -10.665 47.438 1.00 0.00 O 
    9062  
    9063 Ignored bad PDB record found on line 84972 
    9064 ATOM 2483c HWS SOL W7993 -73.554 -10.000 47.127 1.00 0.00 H 
    9065  
    9066 Ignored bad PDB record found on line 84973 
    9067 ATOM 2483e HWS SOL W7993 -74.592 -10.990 46.643 1.00 0.00 H 
    9068  
    9069 Duplicate atom serial number found: 24840 
    9070 Duplicate atom serial number found: 24842 
    9071 Duplicate atom serial number found: 24844 
    9072 Duplicate atom serial number found: 24846 
    9073 Duplicate atom serial number found: 24848 
    9074 Ignored bad PDB record found on line 84979 
    9075 ATOM 2484a HWS SOL W7995 -53.879 -10.171 42.140 1.00 0.00 H 
    9076  
    9077 Ignored bad PDB record found on line 84980 
    9078 ATOM 2484c OWS SOL W7996 84.294 -34.171 19.644 1.00 0.00 O 
    9079  
    9080 Ignored bad PDB record found on line 84981 
    9081 ATOM 2484e HWS SOL W7996 83.956 -35.067 19.631 1.00 0.00 H 
    9082  
    9083 Duplicate atom serial number found: 24850 
    9084 Duplicate atom serial number found: 24852 
    9085 Duplicate atom serial number found: 24854 
    9086 Duplicate atom serial number found: 24856 
    9087 Duplicate atom serial number found: 24858 
    9088 Ignored bad PDB record found on line 84987 
    9089 ATOM 2485a HWS SOL W7998 -76.074 -17.843 33.174 1.00 0.00 H 
    9090  
    9091 Ignored bad PDB record found on line 84988 
    9092 ATOM 2485c HWS SOL W7998 -76.472 -16.575 32.449 1.00 0.00 H 
    9093  
    9094 Ignored bad PDB record found on line 84989 
    9095 ATOM 2485e OWS SOL W7999 -90.138 -21.089 24.454 1.00 0.00 O 
    9096  
    9097 Duplicate atom serial number found: 24860 
    9098 Duplicate atom serial number found: 24862 
    9099 Duplicate atom serial number found: 24864 
    9100 Duplicate atom serial number found: 24866 
    9101 Duplicate atom serial number found: 24868 
    9102 Ignored bad PDB record found on line 84995 
    9103 ATOM 2486a OWS SOL W8001 -55.095 -19.877 27.234 1.00 0.00 O 
    9104  
    9105 Ignored bad PDB record found on line 84996 
    9106 ATOM 2486c HWS SOL W8001 -55.202 -19.929 26.284 1.00 0.00 H 
    9107  
    9108 Ignored bad PDB record found on line 84997 
    9109 ATOM 2486e HWS SOL W8001 -55.135 -20.787 27.529 1.00 0.00 H 
    9110  
    9111 Duplicate atom serial number found: 24870 
    9112 Duplicate atom serial number found: 24872 
    9113 Duplicate atom serial number found: 24874 
    9114 Duplicate atom serial number found: 24876 
    9115 Duplicate atom serial number found: 24878 
    9116 Ignored bad PDB record found on line 85003 
    9117 ATOM 2487a HWS SOL W8003 -79.107 -34.427 43.941 1.00 0.00 H 
    9118  
    9119 Ignored bad PDB record found on line 85004 
    9120 ATOM 2487c OWS SOL W8004 -82.450 -31.654 56.545 1.00 0.00 O 
    9121  
    9122 Ignored bad PDB record found on line 85005 
    9123 ATOM 2487e HWS SOL W8004 -82.450 -30.995 57.240 1.00 0.00 H 
    9124  
    9125 Duplicate atom serial number found: 24880 
    9126 Duplicate atom serial number found: 24882 
    9127 Duplicate atom serial number found: 24884 
    9128 Duplicate atom serial number found: 24886 
    9129 Duplicate atom serial number found: 24888 
    9130 Ignored bad PDB record found on line 85011 
    9131 ATOM 2488a HWS SOL W8006 -86.712 -4.647 20.517 1.00 0.00 H 
    9132  
    9133 Ignored bad PDB record found on line 85012 
    9134 ATOM 2488c HWS SOL W8006 -87.885 -5.532 20.154 1.00 0.00 H 
    9135  
    9136 Ignored bad PDB record found on line 85013 
    9137 ATOM 2488e OWS SOL W8007 -85.228 -21.259 24.990 1.00 0.00 O 
    9138  
    9139 Duplicate atom serial number found: 24890 
    9140 Duplicate atom serial number found: 24892 
    9141 Duplicate atom serial number found: 24894 
    9142 Duplicate atom serial number found: 24896 
    9143 Duplicate atom serial number found: 24898 
    9144 Ignored bad PDB record found on line 85019 
    9145 ATOM 2489a OWS SOL W8009 -83.403 -8.011 32.244 1.00 0.00 O 
    9146  
    9147 Ignored bad PDB record found on line 85020 
    9148 ATOM 2489c HWS SOL W8009 -82.870 -8.754 32.529 1.00 0.00 H 
    9149  
    9150 Ignored bad PDB record found on line 85021 
    9151 ATOM 2489e HWS SOL W8009 -83.342 -8.024 31.289 1.00 0.00 H 
    9152  
    9153 Ignored bad PDB record found on line 85022 
    9154 ATOM 248a0 OWS SOL W8010 -82.541 -22.096 29.627 1.00 0.00 O 
    9155  
    9156 Ignored bad PDB record found on line 85023 
    9157 ATOM 248a2 HWS SOL W8010 -81.776 -21.539 29.487 1.00 0.00 H 
    9158  
    9159 46 messages similar to the above omitted 
    9160 Duplicate atom serial number found: 24900 
    9161 Duplicate atom serial number found: 24902 
    9162 Duplicate atom serial number found: 24904 
    9163 Duplicate atom serial number found: 24906 
    9164 Duplicate atom serial number found: 24908 
    9165 Ignored bad PDB record found on line 85075 
    9166 ATOM 2490a HWS SOL W8027 -70.070 -1.419 15.056 1.00 0.00 H 
    9167  
    9168 Ignored bad PDB record found on line 85076 
    9169 ATOM 2490c OWS SOL W8028 85.983 -16.258 18.878 1.00 0.00 O 
    9170  
    9171 Ignored bad PDB record found on line 85077 
    9172 ATOM 2490e HWS SOL W8028 85.040 -16.161 19.010 1.00 0.00 H 
    9173  
    9174 Duplicate atom serial number found: 24910 
    9175 Duplicate atom serial number found: 24912 
    9176 Duplicate atom serial number found: 24914 
    9177 Duplicate atom serial number found: 24916 
    9178 Duplicate atom serial number found: 24918 
    9179 Ignored bad PDB record found on line 85083 
    9180 ATOM 2491a HWS SOL W8030 83.079 -6.204 17.175 1.00 0.00 H 
    9181  
    9182 Ignored bad PDB record found on line 85084 
    9183 ATOM 2491c HWS SOL W8030 84.331 -6.718 16.498 1.00 0.00 H 
    9184  
    9185 Ignored bad PDB record found on line 85085 
    9186 ATOM 2491e OWS SOL W8031 -78.928 -38.068 30.284 1.00 0.00 O 
    9187  
    9188 Duplicate atom serial number found: 24920 
    9189 Duplicate atom serial number found: 24922 
    9190 Duplicate atom serial number found: 24924 
    9191 Duplicate atom serial number found: 24926 
    9192 Duplicate atom serial number found: 24928 
    9193 Ignored bad PDB record found on line 85091 
    9194 ATOM 2492a OWS SOL W8033 -74.752 -41.658 23.142 1.00 0.00 O 
    9195  
    9196 Ignored bad PDB record found on line 85092 
    9197 ATOM 2492c HWS SOL W8033 -74.126 -40.956 22.961 1.00 0.00 H 
    9198  
    9199 Ignored bad PDB record found on line 85093 
    9200 ATOM 2492e HWS SOL W8033 -75.127 -41.432 23.993 1.00 0.00 H 
    9201  
    9202 Duplicate atom serial number found: 24930 
    9203 Duplicate atom serial number found: 24932 
    9204 Duplicate atom serial number found: 24934 
    9205 Duplicate atom serial number found: 24936 
    9206 Duplicate atom serial number found: 24938 
    9207 Ignored bad PDB record found on line 85099 
    9208 ATOM 2493a HWS SOL W8035 -75.090 -14.072 12.330 1.00 0.00 H 
    9209  
    9210 Ignored bad PDB record found on line 85100 
    9211 ATOM 2493c OWS SOL W8036 -85.394 9.886 21.287 1.00 0.00 O 
    9212  
    9213 Ignored bad PDB record found on line 85101 
    9214 ATOM 2493e HWS SOL W8036 -85.625 10.259 20.436 1.00 0.00 H 
    9215  
    9216 Duplicate atom serial number found: 24940 
    9217 Duplicate atom serial number found: 24942 
    9218 Duplicate atom serial number found: 24944 
    9219 Duplicate atom serial number found: 24946 
    9220 Duplicate atom serial number found: 24948 
    9221 Ignored bad PDB record found on line 85107 
    9222 ATOM 2494a HWS SOL W8038 -52.753 -34.806 46.227 1.00 0.00 H 
    9223  
    9224 Ignored bad PDB record found on line 85108 
    9225 ATOM 2494c HWS SOL W8038 -53.393 -34.052 45.080 1.00 0.00 H 
    9226  
    9227 Ignored bad PDB record found on line 85109 
    9228 ATOM 2494e OWS SOL W8039 86.070 -33.765 21.579 1.00 0.00 O 
    9229  
    9230 Duplicate atom serial number found: 24950 
    9231 Duplicate atom serial number found: 24952 
    9232 Duplicate atom serial number found: 24954 
    9233 Duplicate atom serial number found: 24956 
    9234 Duplicate atom serial number found: 24958 
    9235 Ignored bad PDB record found on line 85115 
    9236 ATOM 2495a OWS SOL W8041 -73.642 -17.651 15.941 1.00 0.00 O 
    9237  
    9238 Ignored bad PDB record found on line 85116 
    9239 ATOM 2495c HWS SOL W8041 -74.237 -18.311 16.298 1.00 0.00 H 
    9240  
    9241 Ignored bad PDB record found on line 85117 
    9242 ATOM 2495e HWS SOL W8041 -73.519 -17.909 15.028 1.00 0.00 H 
    9243  
    9244 Duplicate atom serial number found: 24960 
    9245 Duplicate atom serial number found: 24962 
    9246 Duplicate atom serial number found: 24964 
    9247 Duplicate atom serial number found: 24966 
    9248 Duplicate atom serial number found: 24968 
    9249 Ignored bad PDB record found on line 85123 
    9250 ATOM 2496a HWS SOL W8043 -59.269 -5.268 41.090 1.00 0.00 H 
    9251  
    9252 Ignored bad PDB record found on line 85124 
    9253 ATOM 2496c OWS SOL W8044 -89.885 -11.056 28.112 1.00 0.00 O 
    9254  
    9255 Ignored bad PDB record found on line 85125 
    9256 ATOM 2496e HWS SOL W8044 -89.837 -11.173 27.164 1.00 0.00 H 
    9257  
    9258 Duplicate atom serial number found: 24970 
    9259 Duplicate atom serial number found: 24972 
    9260 Duplicate atom serial number found: 24974 
    9261 Duplicate atom serial number found: 24976 
    9262 Duplicate atom serial number found: 24978 
    9263 Ignored bad PDB record found on line 85131 
    9264 ATOM 2497a HWS SOL W8046 -76.798 -12.611 49.052 1.00 0.00 H 
    9265  
    9266 Ignored bad PDB record found on line 85132 
    9267 ATOM 2497c HWS SOL W8046 -76.975 -11.604 50.168 1.00 0.00 H 
    9268  
    9269 Ignored bad PDB record found on line 85133 
    9270 ATOM 2497e OWS SOL W8047 -82.806 -7.712 10.264 1.00 0.00 O 
    9271  
    9272 Duplicate atom serial number found: 24980 
    9273 Duplicate atom serial number found: 24982 
    9274 Duplicate atom serial number found: 24984 
    9275 Duplicate atom serial number found: 24986 
    9276 Duplicate atom serial number found: 24988 
    9277 Ignored bad PDB record found on line 85139 
    9278 ATOM 2498a OWS SOL W8049 -73.587 -29.247 56.943 1.00 0.00 O 
    9279  
    9280 Ignored bad PDB record found on line 85140 
    9281 ATOM 2498c HWS SOL W8049 -73.226 -29.747 56.211 1.00 0.00 H 
    9282  
    9283 Ignored bad PDB record found on line 85141 
    9284 ATOM 2498e HWS SOL W8049 -73.660 -28.352 56.610 1.00 0.00 H 
    9285  
    9286 Duplicate atom serial number found: 24990 
    9287 Duplicate atom serial number found: 24992 
    9288 Duplicate atom serial number found: 24994 
    9289 Duplicate atom serial number found: 24996 
    9290 Duplicate atom serial number found: 24998 
    9291 Ignored bad PDB record found on line 85147 
    9292 ATOM 2499a HWS SOL W8051 87.865 -24.563 -4.244 1.00 0.00 H 
    9293  
    9294 Ignored bad PDB record found on line 85148 
    9295 ATOM 2499c OWS SOL W8052 -77.273 -17.423 47.686 1.00 0.00 O 
    9296  
    9297 Ignored bad PDB record found on line 85149 
    9298 ATOM 2499e HWS SOL W8052 -76.726 -17.834 48.355 1.00 0.00 H 
    9299  
    9300 Ignored bad PDB record found on line 85150 
    9301 ATOM 249a0 HWS SOL W8052 -77.652 -16.660 48.122 1.00 0.00 H 
    9302  
    9303 Ignored bad PDB record found on line 85151 
    9304 ATOM 249a2 OWS SOL W8053 -76.939 -34.931 19.644 1.00 0.00 O 
    9305  
    9306 814 messages similar to the above omitted 
    9307 Duplicate atom serial number found: 25000 
    9308 Duplicate atom serial number found: 25002 
    9309 Duplicate atom serial number found: 25004 
    9310 Duplicate atom serial number found: 25006 
    9311 Duplicate atom serial number found: 25008 
    9312 Ignored bad PDB record found on line 85971 
    9313 ATOM 2500a HWS SOL W8329 85.286 -23.282 36.680 1.00 0.00 H 
    9314  
    9315 Ignored bad PDB record found on line 85972 
    9316 ATOM 2500c HWS SOL W8329 85.999 -24.596 36.443 1.00 0.00 H 
    9317  
    9318 Ignored bad PDB record found on line 85973 
    9319 ATOM 2500e OWS SOL W8330 -81.653 -5.122 47.005 1.00 0.00 O 
    9320  
    9321 Duplicate atom serial number found: 25010 
    9322 Duplicate atom serial number found: 25012 
    9323 Duplicate atom serial number found: 25014 
    9324 Duplicate atom serial number found: 25016 
    9325 Duplicate atom serial number found: 25018 
    9326 Ignored bad PDB record found on line 85979 
    9327 ATOM 2501a OWS SOL W8332 -62.624 -41.250 66.776 1.00 0.00 O 
    9328  
    9329 Ignored bad PDB record found on line 85980 
    9330 ATOM 2501c HWS SOL W8332 -62.468 -41.754 65.977 1.00 0.00 H 
    9331  
    9332 Ignored bad PDB record found on line 85981 
    9333 ATOM 2501e HWS SOL W8332 -63.551 -41.389 66.970 1.00 0.00 H 
    9334  
    9335 Duplicate atom serial number found: 25020 
    9336 Duplicate atom serial number found: 25022 
    9337 Duplicate atom serial number found: 25024 
    9338 Duplicate atom serial number found: 25026 
    9339 Duplicate atom serial number found: 25028 
    9340 Ignored bad PDB record found on line 85987 
    9341 ATOM 2502a HWS SOL W8334 -44.526 -21.323 60.734 1.00 0.00 H 
    9342  
    9343 Ignored bad PDB record found on line 85988 
    9344 ATOM 2502c OWS SOL W8335 88.701 -42.977 56.379 1.00 0.00 O 
    9345  
    9346 Ignored bad PDB record found on line 85989 
    9347 ATOM 2502e HWS SOL W8335 88.934 -42.242 55.811 1.00 0.00 H 
    9348  
    9349 Duplicate atom serial number found: 25030 
    9350 Duplicate atom serial number found: 25032 
    9351 Duplicate atom serial number found: 25034 
    9352 Duplicate atom serial number found: 25036 
    9353 Duplicate atom serial number found: 25038 
    9354 Ignored bad PDB record found on line 85995 
    9355 ATOM 2503a HWS SOL W8337 -83.898 -29.412 75.355 1.00 0.00 H 
    9356  
    9357 Ignored bad PDB record found on line 85996 
    9358 ATOM 2503c HWS SOL W8337 -84.331 -30.647 76.115 1.00 0.00 H 
    9359  
    9360 Ignored bad PDB record found on line 85997 
    9361 ATOM 2503e OWS SOL W8338 -85.642 -19.361 37.084 1.00 0.00 O 
    9362  
    9363 Duplicate atom serial number found: 25040 
    9364 Duplicate atom serial number found: 25042 
    9365 Duplicate atom serial number found: 25044 
    9366 Duplicate atom serial number found: 25046 
    9367 Duplicate atom serial number found: 25048 
    9368 Ignored bad PDB record found on line 86003 
    9369 ATOM 2504a OWS SOL W8340 73.622 -23.510 61.394 1.00 0.00 O 
    9370  
    9371 Ignored bad PDB record found on line 86004 
    9372 ATOM 2504c HWS SOL W8340 73.253 -24.137 60.772 1.00 0.00 H 
    9373  
    9374 Ignored bad PDB record found on line 86005 
    9375 ATOM 2504e HWS SOL W8340 73.768 -22.718 60.877 1.00 0.00 H 
    9376  
    9377 Duplicate atom serial number found: 25050 
    9378 Duplicate atom serial number found: 25052 
    9379 Duplicate atom serial number found: 25054 
    9380 Duplicate atom serial number found: 25056 
    9381 Duplicate atom serial number found: 25058 
    9382 Ignored bad PDB record found on line 86011 
    9383 ATOM 2505a HWS SOL W8342 -68.499 -26.693 54.619 1.00 0.00 H 
    9384  
    9385 Ignored bad PDB record found on line 86012 
    9386 ATOM 2505c OWS SOL W8343 82.958 -13.610 57.636 1.00 0.00 O 
    9387  
    9388 Ignored bad PDB record found on line 86013 
    9389 ATOM 2505e HWS SOL W8343 83.766 -13.963 58.009 1.00 0.00 H 
    9390  
    9391 Duplicate atom serial number found: 25060 
    9392 Duplicate atom serial number found: 25062 
    9393 Duplicate atom serial number found: 25064 
    9394 Duplicate atom serial number found: 25066 
    9395 Duplicate atom serial number found: 25068 
    9396 Ignored bad PDB record found on line 86019 
    9397 ATOM 2506a HWS SOL W8345 -76.719 -33.584 41.616 1.00 0.00 H 
    9398  
    9399 Ignored bad PDB record found on line 86020 
    9400 ATOM 2506c HWS SOL W8345 -77.149 -32.269 42.230 1.00 0.00 H 
    9401  
    9402 Ignored bad PDB record found on line 86021 
    9403 ATOM 2506e OWS SOL W8346 -87.902 -59.227 55.462 1.00 0.00 O 
    9404  
    9405 Duplicate atom serial number found: 25070 
    9406 Duplicate atom serial number found: 25072 
    9407 Duplicate atom serial number found: 25074 
    9408 Duplicate atom serial number found: 25076 
    9409 Duplicate atom serial number found: 25078 
    9410 Ignored bad PDB record found on line 86027 
    9411 ATOM 2507a OWS SOL W8348 -70.692 -35.267 40.236 1.00 0.00 O 
    9412  
    9413 Ignored bad PDB record found on line 86028 
    9414 ATOM 2507c HWS SOL W8348 -70.546 -34.419 39.816 1.00 0.00 H 
    9415  
    9416 Ignored bad PDB record found on line 86029 
    9417 ATOM 2507e HWS SOL W8348 -71.644 -35.360 40.264 1.00 0.00 H 
    9418  
    9419 Duplicate atom serial number found: 25080 
    9420 Duplicate atom serial number found: 25082 
    9421 Duplicate atom serial number found: 25084 
    9422 Duplicate atom serial number found: 25086 
    9423 Duplicate atom serial number found: 25088 
    9424 Ignored bad PDB record found on line 86035 
    9425 ATOM 2508a HWS SOL W8350 -89.403 -28.694 44.856 1.00 0.00 H 
    9426  
    9427 Ignored bad PDB record found on line 86036 
    9428 ATOM 2508c OWS SOL W8351 -60.189 -28.840 60.258 1.00 0.00 O 
    9429  
    9430 Ignored bad PDB record found on line 86037 
    9431 ATOM 2508e HWS SOL W8351 -60.266 -29.227 61.130 1.00 0.00 H 
    9432  
    9433 Duplicate atom serial number found: 25090 
    9434 Duplicate atom serial number found: 25092 
    9435 Duplicate atom serial number found: 25094 
    9436 Duplicate atom serial number found: 25096 
    9437 Duplicate atom serial number found: 25098 
    9438 Ignored bad PDB record found on line 86043 
    9439 ATOM 2509a HWS SOL W8353 -85.371 -37.596 43.977 1.00 0.00 H 
    9440  
    9441 Ignored bad PDB record found on line 86044 
    9442 ATOM 2509c HWS SOL W8353 -86.229 -36.817 44.951 1.00 0.00 H 
    9443  
    9444 Ignored bad PDB record found on line 86045 
    9445 ATOM 2509e OWS SOL W8354 -65.585 -29.397 72.559 1.00 0.00 O 
    9446  
    9447 Ignored bad PDB record found on line 86046 
    9448 ATOM 250a0 HWS SOL W8354 -66.403 -29.456 72.064 1.00 0.00 H 
    9449  
    9450 Ignored bad PDB record found on line 86047 
    9451 ATOM 250a2 HWS SOL W8354 -65.316 -28.483 72.470 1.00 0.00 H 
    9452  
    9453 46 messages similar to the above omitted 
    9454 Duplicate atom serial number found: 25100 
    9455 Duplicate atom serial number found: 25102 
    9456 Duplicate atom serial number found: 25104 
    9457 Duplicate atom serial number found: 25106 
    9458 Duplicate atom serial number found: 25108 
    9459 Ignored bad PDB record found on line 86099 
    9460 ATOM 2510a OWS SOL W8372 -86.660 -29.497 47.115 1.00 0.00 O 
    9461  
    9462 Ignored bad PDB record found on line 86100 
    9463 ATOM 2510c HWS SOL W8372 -85.845 -29.192 46.717 1.00 0.00 H 
    9464  
    9465 Ignored bad PDB record found on line 86101 
    9466 ATOM 2510e HWS SOL W8372 -87.139 -28.695 47.325 1.00 0.00 H 
    9467  
    9468 Duplicate atom serial number found: 25110 
    9469 Duplicate atom serial number found: 25112 
    9470 Duplicate atom serial number found: 25114 
    9471 Duplicate atom serial number found: 25116 
    9472 Duplicate atom serial number found: 25118 
    9473 Ignored bad PDB record found on line 86107 
    9474 ATOM 2511a HWS SOL W8374 -85.421 -43.191 39.714 1.00 0.00 H 
    9475  
    9476 Ignored bad PDB record found on line 86108 
    9477 ATOM 2511c OWS SOL W8375 -76.024 -26.347 49.562 1.00 0.00 O 
    9478  
    9479 Ignored bad PDB record found on line 86109 
    9480 ATOM 2511e HWS SOL W8375 -76.638 -26.200 50.281 1.00 0.00 H 
    9481  
    9482 Duplicate atom serial number found: 25120 
    9483 Duplicate atom serial number found: 25122 
    9484 Duplicate atom serial number found: 25124 
    9485 Duplicate atom serial number found: 25126 
    9486 Duplicate atom serial number found: 25128 
    9487 Ignored bad PDB record found on line 86115 
    9488 ATOM 2512a HWS SOL W8377 -68.096 -15.559 46.464 1.00 0.00 H 
    9489  
    9490 Ignored bad PDB record found on line 86116 
    9491 ATOM 2512c HWS SOL W8377 -67.944 -16.337 45.175 1.00 0.00 H 
    9492  
    9493 Ignored bad PDB record found on line 86117 
    9494 ATOM 2512e OWS SOL W8378 -83.887 -40.785 62.922 1.00 0.00 O 
    9495  
    9496 Duplicate atom serial number found: 25130 
    9497 Duplicate atom serial number found: 25132 
    9498 Duplicate atom serial number found: 25134 
    9499 Duplicate atom serial number found: 25136 
    9500 Duplicate atom serial number found: 25138 
    9501 Ignored bad PDB record found on line 86123 
    9502 ATOM 2513a OWS SOL W8380 -83.214 -14.830 41.105 1.00 0.00 O 
    9503  
    9504 Ignored bad PDB record found on line 86124 
    9505 ATOM 2513c HWS SOL W8380 -84.035 -14.548 40.701 1.00 0.00 H 
    9506  
    9507 Ignored bad PDB record found on line 86125 
    9508 ATOM 2513e HWS SOL W8380 -83.420 -14.912 42.036 1.00 0.00 H 
    9509  
    9510 Duplicate atom serial number found: 25140 
    9511 Duplicate atom serial number found: 25142 
    9512 Duplicate atom serial number found: 25144 
    9513 Duplicate atom serial number found: 25146 
    9514 Duplicate atom serial number found: 25148 
    9515 Ignored bad PDB record found on line 86131 
    9516 ATOM 2514a HWS SOL W8382 -87.655 -45.449 48.223 1.00 0.00 H 
    9517  
    9518 Ignored bad PDB record found on line 86132 
    9519 ATOM 2514c OWS SOL W8383 -85.236 -7.609 41.438 1.00 0.00 O 
    9520  
    9521 Ignored bad PDB record found on line 86133 
    9522 ATOM 2514e HWS SOL W8383 -84.538 -7.809 42.061 1.00 0.00 H 
    9523  
    9524 Duplicate atom serial number found: 25150 
    9525 Duplicate atom serial number found: 25152 
    9526 Duplicate atom serial number found: 25154 
    9527 Duplicate atom serial number found: 25156 
    9528 Duplicate atom serial number found: 25158 
    9529 Ignored bad PDB record found on line 86139 
    9530 ATOM 2515a HWS SOL W8385 83.663 -47.830 63.223 1.00 0.00 H 
    9531  
    9532 Ignored bad PDB record found on line 86140 
    9533 ATOM 2515c HWS SOL W8385 83.383 -48.645 61.979 1.00 0.00 H 
    9534  
    9535 Ignored bad PDB record found on line 86141 
    9536 ATOM 2515e OWS SOL W8386 -78.708 -57.185 44.011 1.00 0.00 O 
    9537  
    9538 Duplicate atom serial number found: 25160 
    9539 Duplicate atom serial number found: 25162 
    9540 Duplicate atom serial number found: 25164 
    9541 Duplicate atom serial number found: 25166 
    9542 Duplicate atom serial number found: 25168 
    9543 Ignored bad PDB record found on line 86147 
    9544 ATOM 2516a OWS SOL W8388 84.238 -42.301 57.320 1.00 0.00 O 
    9545  
    9546 Ignored bad PDB record found on line 86148 
    9547 ATOM 2516c HWS SOL W8388 83.798 -42.324 56.471 1.00 0.00 H 
    9548  
    9549 Ignored bad PDB record found on line 86149 
    9550 ATOM 2516e HWS SOL W8388 85.044 -41.811 57.160 1.00 0.00 H 
    9551  
    9552 Duplicate atom serial number found: 25170 
    9553 Duplicate atom serial number found: 25172 
    9554 Duplicate atom serial number found: 25174 
    9555 Duplicate atom serial number found: 25176 
    9556 Duplicate atom serial number found: 25178 
    9557 Ignored bad PDB record found on line 86155 
    9558 ATOM 2517a HWS SOL W8390 -72.588 -18.181 58.726 1.00 0.00 H 
    9559  
    9560 Ignored bad PDB record found on line 86156 
    9561 ATOM 2517c OWS SOL W8391 -71.730 -25.452 60.275 1.00 0.00 O 
    9562  
    9563 Ignored bad PDB record found on line 86157 
    9564 ATOM 2517e HWS SOL W8391 -72.223 -25.955 60.923 1.00 0.00 H 
    9565  
    9566 Duplicate atom serial number found: 25180 
    9567 Duplicate atom serial number found: 25182 
    9568 Duplicate atom serial number found: 25184 
    9569 Duplicate atom serial number found: 25186 
    9570 Duplicate atom serial number found: 25188 
    9571 Ignored bad PDB record found on line 86163 
    9572 ATOM 2518a HWS SOL W8393 88.768 -30.860 44.661 1.00 0.00 H 
    9573  
    9574 Ignored bad PDB record found on line 86164 
    9575 ATOM 2518c HWS SOL W8393 89.309 -30.909 43.248 1.00 0.00 H 
    9576  
    9577 Ignored bad PDB record found on line 86165 
    9578 ATOM 2518e OWS SOL W8394 87.386 -52.947 40.366 1.00 0.00 O 
    9579  
    9580 Duplicate atom serial number found: 25190 
    9581 Duplicate atom serial number found: 25192 
    9582 Duplicate atom serial number found: 25194 
    9583 Duplicate atom serial number found: 25196 
    9584 Duplicate atom serial number found: 25198 
    9585 Ignored bad PDB record found on line 86171 
    9586 ATOM 2519a OWS SOL W8396 87.287 -25.981 30.801 1.00 0.00 O 
    9587  
    9588 Ignored bad PDB record found on line 86172 
    9589 ATOM 2519c HWS SOL W8396 87.152 -25.644 31.686 1.00 0.00 H 
    9590  
    9591 Ignored bad PDB record found on line 86173 
    9592 ATOM 2519e HWS SOL W8396 86.695 -25.465 30.254 1.00 0.00 H 
    9593  
    9594 Ignored bad PDB record found on line 86174 
    9595 ATOM 251a0 OWS SOL W8397 -67.134 -19.113 56.593 1.00 0.00 O 
    9596  
    9597 Ignored bad PDB record found on line 86175 
    9598 ATOM 251a2 HWS SOL W8397 -67.251 -18.185 56.390 1.00 0.00 H 
    9599  
    9600 46 messages similar to the above omitted 
    9601 Duplicate atom serial number found: 25200 
    9602 Duplicate atom serial number found: 25202 
    9603 Duplicate atom serial number found: 25204 
    9604 Duplicate atom serial number found: 25206 
    9605 Duplicate atom serial number found: 25208 
    9606 Ignored bad PDB record found on line 86227 
    9607 ATOM 2520a HWS SOL W8414 80.910 -28.634 21.419 1.00 0.00 H 
    9608  
    9609 Ignored bad PDB record found on line 86228 
    9610 ATOM 2520c OWS SOL W8415 -54.086 -51.612 38.977 1.00 0.00 O 
    9611  
    9612 Ignored bad PDB record found on line 86229 
    9613 ATOM 2520e HWS SOL W8415 -53.745 -51.345 38.124 1.00 0.00 H 
    9614  
    9615 Duplicate atom serial number found: 25210 
    9616 Duplicate atom serial number found: 25212 
    9617 Duplicate atom serial number found: 25214 
    9618 Duplicate atom serial number found: 25216 
    9619 Duplicate atom serial number found: 25218 
    9620 Ignored bad PDB record found on line 86235 
    9621 ATOM 2521a HWS SOL W8417 -75.346 -22.458 73.614 1.00 0.00 H 
    9622  
    9623 Ignored bad PDB record found on line 86236 
    9624 ATOM 2521c HWS SOL W8417 -74.214 -22.845 72.686 1.00 0.00 H 
    9625  
    9626 Ignored bad PDB record found on line 86237 
    9627 ATOM 2521e OWS SOL W8418 83.114 -53.230 78.393 1.00 0.00 O 
    9628  
    9629 Duplicate atom serial number found: 25220 
    9630 Duplicate atom serial number found: 25222 
    9631 Duplicate atom serial number found: 25224 
    9632 Duplicate atom serial number found: 25226 
    9633 Duplicate atom serial number found: 25228 
    9634 Ignored bad PDB record found on line 86243 
    9635 ATOM 2522a OWS SOL W8420 89.682 -25.509 64.546 1.00 0.00 O 
    9636  
    9637 Ignored bad PDB record found on line 86244 
    9638 ATOM 2522c HWS SOL W8420 90.304 -25.734 63.854 1.00 0.00 H 
    9639  
    9640 Ignored bad PDB record found on line 86245 
    9641 ATOM 2522e HWS SOL W8420 90.093 -25.826 65.350 1.00 0.00 H 
    9642  
    9643 Duplicate atom serial number found: 25230 
    9644 Duplicate atom serial number found: 25232 
    9645 Duplicate atom serial number found: 25234 
    9646 Duplicate atom serial number found: 25236 
    9647 Duplicate atom serial number found: 25238 
    9648 Ignored bad PDB record found on line 86251 
    9649 ATOM 2523a HWS SOL W8422 82.554 -45.809 41.240 1.00 0.00 H 
    9650  
    9651 Ignored bad PDB record found on line 86252 
    9652 ATOM 2523c OWS SOL W8423 -78.886 -12.095 39.306 1.00 0.00 O 
    9653  
    9654 Ignored bad PDB record found on line 86253 
    9655 ATOM 2523e HWS SOL W8423 -79.089 -12.496 40.151 1.00 0.00 H 
    9656  
    9657 Duplicate atom serial number found: 25240 
    9658 Duplicate atom serial number found: 25242 
    9659 Duplicate atom serial number found: 25244 
    9660 Duplicate atom serial number found: 25246 
    9661 Duplicate atom serial number found: 25248 
    9662 Ignored bad PDB record found on line 86259 
    9663 ATOM 2524a HWS SOL W8425 -88.371 -44.144 58.883 1.00 0.00 H 
    9664  
    9665 Ignored bad PDB record found on line 86260 
    9666 ATOM 2524c HWS SOL W8425 -88.104 -43.498 57.541 1.00 0.00 H 
    9667  
    9668 Ignored bad PDB record found on line 86261 
    9669 ATOM 2524e OWS SOL W8426 -50.434 -22.493 55.472 1.00 0.00 O 
    9670  
    9671 Duplicate atom serial number found: 25250 
    9672 Duplicate atom serial number found: 25252 
    9673 Duplicate atom serial number found: 25254 
    9674 Duplicate atom serial number found: 25256 
    9675 Duplicate atom serial number found: 25258 
    9676 Ignored bad PDB record found on line 86267 
    9677 ATOM 2525a OWS SOL W8428 -83.914 -33.317 61.557 1.00 0.00 O 
    9678  
    9679 Ignored bad PDB record found on line 86268 
    9680 ATOM 2525c HWS SOL W8428 -83.841 -33.520 60.625 1.00 0.00 H 
    9681  
    9682 Ignored bad PDB record found on line 86269 
    9683 ATOM 2525e HWS SOL W8428 -84.202 -32.405 61.583 1.00 0.00 H 
    9684  
    9685 Duplicate atom serial number found: 25260 
    9686 Duplicate atom serial number found: 25262 
    9687 Duplicate atom serial number found: 25264 
    9688 Duplicate atom serial number found: 25266 
    9689 Duplicate atom serial number found: 25268 
    9690 Ignored bad PDB record found on line 86275 
    9691 ATOM 2526a HWS SOL W8430 -77.788 -48.629 80.436 1.00 0.00 H 
    9692  
    9693 Ignored bad PDB record found on line 86276 
    9694 ATOM 2526c OWS SOL W8431 -83.919 -47.722 58.323 1.00 0.00 O 
    9695  
    9696 Ignored bad PDB record found on line 86277 
    9697 ATOM 2526e HWS SOL W8431 -83.816 -48.561 58.772 1.00 0.00 H 
    9698  
    9699 Duplicate atom serial number found: 25270 
    9700 Duplicate atom serial number found: 25272 
    9701 Duplicate atom serial number found: 25274 
    9702 Duplicate atom serial number found: 25276 
    9703 Duplicate atom serial number found: 25278 
    9704 Ignored bad PDB record found on line 86283 
    9705 ATOM 2527a HWS SOL W8433 -76.881 -42.222 71.817 1.00 0.00 H 
    9706  
    9707 Ignored bad PDB record found on line 86284 
    9708 ATOM 2527c HWS SOL W8433 -77.049 -43.609 72.399 1.00 0.00 H 
    9709  
    9710 Ignored bad PDB record found on line 86285 
    9711 ATOM 2527e OWS SOL W8434 -84.733 -11.640 47.825 1.00 0.00 O 
    9712  
    9713 Duplicate atom serial number found: 25280 
    9714 Duplicate atom serial number found: 25282 
    9715 Duplicate atom serial number found: 25284 
    9716 Duplicate atom serial number found: 25286 
    9717 Duplicate atom serial number found: 25288 
    9718 Ignored bad PDB record found on line 86291 
    9719 ATOM 2528a OWS SOL W8436 -73.317 -19.568 47.085 1.00 0.00 O 
    9720  
    9721 Ignored bad PDB record found on line 86292 
    9722 ATOM 2528c HWS SOL W8436 -72.742 -19.107 47.694 1.00 0.00 H 
    9723  
    9724 Ignored bad PDB record found on line 86293 
    9725 ATOM 2528e HWS SOL W8436 -72.722 -20.009 46.479 1.00 0.00 H 
    9726  
    9727 Duplicate atom serial number found: 25290 
    9728 Duplicate atom serial number found: 25292 
    9729 Duplicate atom serial number found: 25294 
    9730 Duplicate atom serial number found: 25296 
    9731 Duplicate atom serial number found: 25298 
    9732 Ignored bad PDB record found on line 86299 
    9733 ATOM 2529a HWS SOL W8438 -75.039 -27.920 31.541 1.00 0.00 H 
    9734  
    9735 Ignored bad PDB record found on line 86300 
    9736 ATOM 2529c OWS SOL W8439 77.981 -22.264 64.703 1.00 0.00 O 
    9737  
    9738 Ignored bad PDB record found on line 86301 
    9739 ATOM 2529e HWS SOL W8439 77.388 -22.320 65.452 1.00 0.00 H 
    9740  
    9741 Ignored bad PDB record found on line 86302 
    9742 ATOM 252a0 HWS SOL W8439 78.680 -22.886 64.903 1.00 0.00 H 
    9743  
    9744 Ignored bad PDB record found on line 86303 
    9745 ATOM 252a2 OWS SOL W8440 -83.080 -17.974 51.529 1.00 0.00 O 
    9746  
    9747 46 messages similar to the above omitted 
    9748 Duplicate atom serial number found: 25300 
    9749 Duplicate atom serial number found: 25302 
    9750 Duplicate atom serial number found: 25304 
    9751 Duplicate atom serial number found: 25306 
    9752 Duplicate atom serial number found: 25308 
    9753 Ignored bad PDB record found on line 86355 
    9754 ATOM 2530a HWS SOL W8457 -78.666 -40.375 46.972 1.00 0.00 H 
    9755  
    9756 Ignored bad PDB record found on line 86356 
    9757 ATOM 2530c HWS SOL W8457 -79.291 -41.191 45.861 1.00 0.00 H 
    9758  
    9759 Ignored bad PDB record found on line 86357 
    9760 ATOM 2530e OWS SOL W8458 -74.988 -29.280 63.331 1.00 0.00 O 
    9761  
    9762 Duplicate atom serial number found: 25310 
    9763 Duplicate atom serial number found: 25312 
    9764 Duplicate atom serial number found: 25314 
    9765 Duplicate atom serial number found: 25316 
    9766 Duplicate atom serial number found: 25318 
    9767 Ignored bad PDB record found on line 86363 
    9768 ATOM 2531a OWS SOL W8460 -76.447 -45.358 64.121 1.00 0.00 O 
    9769  
    9770 Ignored bad PDB record found on line 86364 
    9771 ATOM 2531c HWS SOL W8460 -75.921 -44.581 64.311 1.00 0.00 H 
    9772  
    9773 Ignored bad PDB record found on line 86365 
    9774 ATOM 2531e HWS SOL W8460 -75.877 -46.094 64.341 1.00 0.00 H 
    9775  
    9776 Duplicate atom serial number found: 25320 
    9777 Duplicate atom serial number found: 25322 
    9778 Duplicate atom serial number found: 25324 
    9779 Duplicate atom serial number found: 25326 
    9780 Duplicate atom serial number found: 25328 
    9781 Ignored bad PDB record found on line 86371 
    9782 ATOM 2532a HWS SOL W8462 87.582 -40.653 54.007 1.00 0.00 H 
    9783  
    9784 Ignored bad PDB record found on line 86372 
    9785 ATOM 2532c OWS SOL W8463 -74.246 -36.081 51.966 1.00 0.00 O 
    9786  
    9787 Ignored bad PDB record found on line 86373 
    9788 ATOM 2532e HWS SOL W8463 -74.416 -35.443 51.274 1.00 0.00 H 
    9789  
    9790 Duplicate atom serial number found: 25330 
    9791 Duplicate atom serial number found: 25332 
    9792 Duplicate atom serial number found: 25334 
    9793 Duplicate atom serial number found: 25336 
    9794 Duplicate atom serial number found: 25338 
    9795 Ignored bad PDB record found on line 86379 
    9796 ATOM 2533a HWS SOL W8465 -85.362 -26.967 75.846 1.00 0.00 H 
    9797  
    9798 Ignored bad PDB record found on line 86380 
    9799 ATOM 2533c HWS SOL W8465 -84.218 -25.995 75.650 1.00 0.00 H 
    9800  
    9801 Ignored bad PDB record found on line 86381 
    9802 ATOM 2533e OWS SOL W8466 -84.629 -29.164 45.415 1.00 0.00 O 
    9803  
    9804 Duplicate atom serial number found: 25340 
    9805 Duplicate atom serial number found: 25342 
    9806 Duplicate atom serial number found: 25344 
    9807 Duplicate atom serial number found: 25346 
    9808 Duplicate atom serial number found: 25348 
    9809 Ignored bad PDB record found on line 86387 
    9810 ATOM 2534a OWS SOL W8468 -67.513 -33.695 36.855 1.00 0.00 O 
    9811  
    9812 Ignored bad PDB record found on line 86388 
    9813 ATOM 2534c HWS SOL W8468 -68.284 -33.428 36.355 1.00 0.00 H 
    9814  
    9815 Ignored bad PDB record found on line 86389 
    9816 ATOM 2534e HWS SOL W8468 -67.869 -34.111 37.641 1.00 0.00 H 
    9817  
    9818 Duplicate atom serial number found: 25350 
    9819 Duplicate atom serial number found: 25352 
    9820 Duplicate atom serial number found: 25354 
    9821 Duplicate atom serial number found: 25356 
    9822 Duplicate atom serial number found: 25358 
    9823 Ignored bad PDB record found on line 86395 
    9824 ATOM 2535a HWS SOL W8470 -83.645 -26.537 51.772 1.00 0.00 H 
    9825  
    9826 Ignored bad PDB record found on line 86396 
    9827 ATOM 2535c OWS SOL W8471 -89.968 -30.147 50.280 1.00 0.00 O 
    9828  
    9829 Ignored bad PDB record found on line 86397 
    9830 ATOM 2535e HWS SOL W8471 -89.721 -29.349 50.747 1.00 0.00 H 
    9831  
    9832 Duplicate atom serial number found: 25360 
    9833 Duplicate atom serial number found: 25362 
    9834 Duplicate atom serial number found: 25364 
    9835 Duplicate atom serial number found: 25366 
    9836 Duplicate atom serial number found: 25368 
    9837 Ignored bad PDB record found on line 86403 
    9838 ATOM 2536a HWS SOL W8473 -79.388 -23.992 53.092 1.00 0.00 H 
    9839  
    9840 Ignored bad PDB record found on line 86404 
    9841 ATOM 2536c HWS SOL W8473 -78.976 -25.366 53.576 1.00 0.00 H 
    9842  
    9843 Ignored bad PDB record found on line 86405 
    9844 ATOM 2536e OWS SOL W8474 -63.059 -36.671 57.676 1.00 0.00 O 
    9845  
    9846 Duplicate atom serial number found: 25370 
    9847 Duplicate atom serial number found: 25372 
    9848 Duplicate atom serial number found: 25374 
    9849 Duplicate atom serial number found: 25376 
    9850 Duplicate atom serial number found: 25378 
    9851 Ignored bad PDB record found on line 86411 
    9852 ATOM 2537a OWS SOL W8476 -59.133 -43.662 67.201 1.00 0.00 O 
    9853  
    9854 Ignored bad PDB record found on line 86412 
    9855 ATOM 2537c HWS SOL W8476 -58.473 -43.469 66.535 1.00 0.00 H 
    9856  
    9857 Ignored bad PDB record found on line 86413 
    9858 ATOM 2537e HWS SOL W8476 -59.479 -44.520 66.955 1.00 0.00 H 
    9859  
    9860 Duplicate atom serial number found: 25380 
    9861 Duplicate atom serial number found: 25382 
    9862 Duplicate atom serial number found: 25384 
    9863 Duplicate atom serial number found: 25386 
    9864 Duplicate atom serial number found: 25388 
    9865 Ignored bad PDB record found on line 86419 
    9866 ATOM 2538a HWS SOL W8478 -81.512 -31.736 80.866 1.00 0.00 H 
    9867  
    9868 Ignored bad PDB record found on line 86420 
    9869 ATOM 2538c OWS SOL W8479 -88.098 -18.116 37.167 1.00 0.00 O 
    9870  
    9871 Ignored bad PDB record found on line 86421 
    9872 ATOM 2538e HWS SOL W8479 -88.569 -17.846 37.955 1.00 0.00 H 
    9873  
    9874 Duplicate atom serial number found: 25390 
    9875 Duplicate atom serial number found: 25392 
    9876 Duplicate atom serial number found: 25394 
    9877 Duplicate atom serial number found: 25396 
    9878 Duplicate atom serial number found: 25398 
    9879 Ignored bad PDB record found on line 86427 
    9880 ATOM 2539a HWS SOL W8481 -69.868 -43.291 53.686 1.00 0.00 H 
    9881  
    9882 Ignored bad PDB record found on line 86428 
    9883 ATOM 2539c HWS SOL W8481 -70.691 -42.379 54.570 1.00 0.00 H 
    9884  
    9885 Ignored bad PDB record found on line 86429 
    9886 ATOM 2539e OWS SOL W8482 -73.197 -33.662 54.537 1.00 0.00 O 
    9887  
    9888 Ignored bad PDB record found on line 86430 
    9889 ATOM 253a0 HWS SOL W8482 -73.788 -34.249 54.065 1.00 0.00 H 
    9890  
    9891 Ignored bad PDB record found on line 86431 
    9892 ATOM 253a2 HWS SOL W8482 -72.624 -33.303 53.859 1.00 0.00 H 
    9893  
    9894 46 messages similar to the above omitted 
    9895 Duplicate atom serial number found: 25400 
    9896 Duplicate atom serial number found: 25402 
    9897 Duplicate atom serial number found: 25404 
    9898 Duplicate atom serial number found: 25406 
    9899 Duplicate atom serial number found: 25408 
    9900 Ignored bad PDB record found on line 86483 
    9901 ATOM 2540a OWS SOL W8500 -75.458 -18.960 49.188 1.00 0.00 O 
    9902  
    9903 Ignored bad PDB record found on line 86484 
    9904 ATOM 2540c HWS SOL W8500 -75.273 -19.820 49.565 1.00 0.00 H 
    9905  
    9906 Ignored bad PDB record found on line 86485 
    9907 ATOM 2540e HWS SOL W8500 -74.724 -18.794 48.597 1.00 0.00 H 
    9908  
    9909 Duplicate atom serial number found: 25410 
    9910 Duplicate atom serial number found: 25412 
    9911 Duplicate atom serial number found: 25414 
    9912 Duplicate atom serial number found: 25416 
    9913 Duplicate atom serial number found: 25418 
    9914 Ignored bad PDB record found on line 86491 
    9915 ATOM 2541a HWS SOL W8502 -77.039 -29.629 59.871 1.00 0.00 H 
    9916  
    9917 Ignored bad PDB record found on line 86492 
    9918 ATOM 2541c OWS SOL W8503 -65.062 -37.178 64.348 1.00 0.00 O 
    9919  
    9920 Ignored bad PDB record found on line 86493 
    9921 ATOM 2541e HWS SOL W8503 -64.406 -36.994 65.020 1.00 0.00 H 
    9922  
    9923 Duplicate atom serial number found: 25420 
    9924 Duplicate atom serial number found: 25422 
    9925 Duplicate atom serial number found: 25424 
    9926 Duplicate atom serial number found: 25426 
    9927 Duplicate atom serial number found: 25428 
    9928 Ignored bad PDB record found on line 86499 
    9929 ATOM 2542a HWS SOL W8505 -83.157 -38.885 57.601 1.00 0.00 H 
    9930  
    9931 Ignored bad PDB record found on line 86500 
    9932 ATOM 2542c HWS SOL W8505 -81.785 -38.360 57.966 1.00 0.00 H 
    9933  
    9934 Ignored bad PDB record found on line 86501 
    9935 ATOM 2542e OWS SOL W8506 -87.621 -28.757 85.378 1.00 0.00 O 
    9936  
    9937 Duplicate atom serial number found: 25430 
    9938 Duplicate atom serial number found: 25432 
    9939 Duplicate atom serial number found: 25434 
    9940 Duplicate atom serial number found: 25436 
    9941 Duplicate atom serial number found: 25438 
    9942 Ignored bad PDB record found on line 86507 
    9943 ATOM 2543a OWS SOL W8508 -80.305 -25.641 59.575 1.00 0.00 O 
    9944  
    9945 Ignored bad PDB record found on line 86508 
    9946 ATOM 2543c HWS SOL W8508 -81.089 -26.074 59.912 1.00 0.00 H 
    9947  
    9948 Ignored bad PDB record found on line 86509 
    9949 ATOM 2543e HWS SOL W8508 -80.600 -24.762 59.335 1.00 0.00 H 
    9950  
    9951 Duplicate atom serial number found: 25440 
    9952 Duplicate atom serial number found: 25442 
    9953 Duplicate atom serial number found: 25444 
    9954 Duplicate atom serial number found: 25446 
    9955 Duplicate atom serial number found: 25448 
    9956 Ignored bad PDB record found on line 86515 
    9957 ATOM 2544a HWS SOL W8510 84.427 -21.258 69.397 1.00 0.00 H 
    9958  
    9959 Ignored bad PDB record found on line 86516 
    9960 ATOM 2544c OWS SOL W8511 -71.784 -22.097 52.021 1.00 0.00 O 
    9961  
    9962 Ignored bad PDB record found on line 86517 
    9963 ATOM 2544e HWS SOL W8511 -71.835 -22.735 52.733 1.00 0.00 H 
    9964  
    9965 Duplicate atom serial number found: 25450 
    9966 Duplicate atom serial number found: 25452 
    9967 Duplicate atom serial number found: 25454 
    9968 Duplicate atom serial number found: 25456 
    9969 Duplicate atom serial number found: 25458 
    9970 Ignored bad PDB record found on line 86523 
    9971 ATOM 2545a HWS SOL W8513 -61.555 -31.146 49.420 1.00 0.00 H 
    9972  
    9973 Ignored bad PDB record found on line 86524 
    9974 ATOM 2545c HWS SOL W8513 -62.796 -30.528 50.027 1.00 0.00 H 
    9975  
    9976 Ignored bad PDB record found on line 86525 
    9977 ATOM 2545e OWS SOL W8514 -85.964 -7.448 49.697 1.00 0.00 O 
    9978  
    9979 Duplicate atom serial number found: 25460 
    9980 Duplicate atom serial number found: 25462 
    9981 Duplicate atom serial number found: 25464 
    9982 Duplicate atom serial number found: 25466 
    9983 Duplicate atom serial number found: 25468 
    9984 Ignored bad PDB record found on line 86531 
    9985 ATOM 2546a OWS SOL W8516 -88.637 -46.435 67.760 1.00 0.00 O 
    9986  
    9987 Ignored bad PDB record found on line 86532 
    9988 ATOM 2546c HWS SOL W8516 -87.964 -46.352 68.437 1.00 0.00 H 
    9989  
    9990 Ignored bad PDB record found on line 86533 
    9991 ATOM 2546e HWS SOL W8516 -88.384 -45.799 67.091 1.00 0.00 H 
    9992  
    9993 Duplicate atom serial number found: 25470 
    9994 Duplicate atom serial number found: 25472 
    9995 Duplicate atom serial number found: 25474 
    9996 Duplicate atom serial number found: 25476 
    9997 Duplicate atom serial number found: 25478 
    9998 Ignored bad PDB record found on line 86539 
    9999 ATOM 2547a HWS SOL W8518 -75.622 -45.870 51.197 1.00 0.00 H 
    10000  
    10001 Ignored bad PDB record found on line 86540 
    10002 ATOM 2547c OWS SOL W8519 -75.359 -37.999 50.076 1.00 0.00 O 
    10003  
    10004 Ignored bad PDB record found on line 86541 
    10005 ATOM 2547e HWS SOL W8519 -75.636 -38.802 49.634 1.00 0.00 H 
    10006  
    10007 Duplicate atom serial number found: 25480 
    10008 Duplicate atom serial number found: 25482 
    10009 Duplicate atom serial number found: 25484 
    10010 Duplicate atom serial number found: 25486 
    10011 Duplicate atom serial number found: 25488 
    10012 Ignored bad PDB record found on line 86547 
    10013 ATOM 2548a HWS SOL W8521 -80.501 -36.359 69.402 1.00 0.00 H 
    10014  
    10015 Ignored bad PDB record found on line 86548 
    10016 ATOM 2548c HWS SOL W8521 -79.716 -35.934 70.624 1.00 0.00 H 
    10017  
    10018 Ignored bad PDB record found on line 86549 
    10019 ATOM 2548e OWS SOL W8522 -79.135 -4.719 42.563 1.00 0.00 O 
    10020  
    10021 Duplicate atom serial number found: 25490 
    10022 Duplicate atom serial number found: 25492 
    10023 Duplicate atom serial number found: 25494 
    10024 Duplicate atom serial number found: 25496 
    10025 Duplicate atom serial number found: 25498 
    10026 Ignored bad PDB record found on line 86555 
    10027 ATOM 2549a OWS SOL W8524 78.242 -33.128 67.810 1.00 0.00 O 
    10028  
    10029 Ignored bad PDB record found on line 86556 
    10030 ATOM 2549c HWS SOL W8524 78.830 -33.327 68.539 1.00 0.00 H 
    10031  
    10032 Ignored bad PDB record found on line 86557 
    10033 ATOM 2549e HWS SOL W8524 78.753 -33.332 67.027 1.00 0.00 H 
    10034  
    10035 Ignored bad PDB record found on line 86558 
    10036 ATOM 254a0 OWS SOL W8525 -67.601 -37.258 38.770 1.00 0.00 O 
    10037  
    10038 Ignored bad PDB record found on line 86559 
    10039 ATOM 254a2 HWS SOL W8525 -67.100 -36.693 39.358 1.00 0.00 H 
    10040  
    10041 46 messages similar to the above omitted 
    10042 Duplicate atom serial number found: 25500 
    10043 Duplicate atom serial number found: 25502 
    10044 Duplicate atom serial number found: 25504 
    10045 Duplicate atom serial number found: 25506 
    10046 Duplicate atom serial number found: 25508 
    10047 Ignored bad PDB record found on line 86611 
    10048 ATOM 2550a HWS SOL W8542 -80.076 -29.231 42.157 1.00 0.00 H 
    10049  
    10050 Ignored bad PDB record found on line 86612 
    10051 ATOM 2550c OWS SOL W8543 -86.334 -32.493 58.825 1.00 0.00 O 
    10052  
    10053 Ignored bad PDB record found on line 86613 
    10054 ATOM 2550e HWS SOL W8543 -85.962 -32.140 58.017 1.00 0.00 H 
    10055  
    10056 Duplicate atom serial number found: 25510 
    10057 Duplicate atom serial number found: 25512 
    10058 Duplicate atom serial number found: 25514 
    10059 Duplicate atom serial number found: 25516 
    10060 Duplicate atom serial number found: 25518 
    10061 Ignored bad PDB record found on line 86619 
    10062 ATOM 2551a HWS SOL W8545 -87.350 -33.335 68.436 1.00 0.00 H 
    10063  
    10064 Ignored bad PDB record found on line 86620 
    10065 ATOM 2551c HWS SOL W8545 -86.931 -33.989 67.137 1.00 0.00 H 
    10066  
    10067 Ignored bad PDB record found on line 86621 
    10068 ATOM 2551e OWS SOL W8546 -83.756 -29.403 63.089 1.00 0.00 O 
    10069  
    10070 Duplicate atom serial number found: 25520 
    10071 Duplicate atom serial number found: 25522 
    10072 Duplicate atom serial number found: 25524 
    10073 Duplicate atom serial number found: 25526 
    10074 Duplicate atom serial number found: 25528 
    10075 Ignored bad PDB record found on line 86627 
    10076 ATOM 2552a OWS SOL W8548 -86.258 -37.340 34.991 1.00 0.00 O 
    10077  
    10078 Ignored bad PDB record found on line 86628 
    10079 ATOM 2552c HWS SOL W8548 -86.319 -36.820 34.189 1.00 0.00 H 
    10080  
    10081 Ignored bad PDB record found on line 86629 
    10082 ATOM 2552e HWS SOL W8548 -86.889 -38.049 34.866 1.00 0.00 H 
    10083  
    10084 Duplicate atom serial number found: 25530 
    10085 Duplicate atom serial number found: 25532 
    10086 Duplicate atom serial number found: 25534 
    10087 Duplicate atom serial number found: 25536 
    10088 Duplicate atom serial number found: 25538 
    10089 Ignored bad PDB record found on line 86635 
    10090 ATOM 2553a HWS SOL W8550 -85.831 -27.506 44.631 1.00 0.00 H 
    10091  
    10092 Ignored bad PDB record found on line 86636 
    10093 ATOM 2553c OWS SOL W8551 -74.769 -39.900 54.152 1.00 0.00 O 
    10094  
    10095 Ignored bad PDB record found on line 86637 
    10096 ATOM 2553e HWS SOL W8551 -75.466 -40.144 54.762 1.00 0.00 H 
    10097  
    10098 Duplicate atom serial number found: 25540 
    10099 Duplicate atom serial number found: 25542 
    10100 Duplicate atom serial number found: 25544 
    10101 Duplicate atom serial number found: 25546 
    10102 Duplicate atom serial number found: 25548 
    10103 Ignored bad PDB record found on line 86643 
    10104 ATOM 2554a HWS SOL W8553 79.425 -41.422 49.433 1.00 0.00 H 
    10105  
    10106 Ignored bad PDB record found on line 86644 
    10107 ATOM 2554c HWS SOL W8553 78.007 -41.510 49.957 1.00 0.00 H 
    10108  
    10109 Ignored bad PDB record found on line 86645 
    10110 ATOM 2554e OWS SOL W8554 78.465 -62.953 63.453 1.00 0.00 O 
    10111  
    10112 Duplicate atom serial number found: 25550 
    10113 Duplicate atom serial number found: 25552 
    10114 Duplicate atom serial number found: 25554 
    10115 Duplicate atom serial number found: 25556 
    10116 Duplicate atom serial number found: 25558 
    10117 Ignored bad PDB record found on line 86651 
    10118 ATOM 2555a OWS SOL W8556 -53.829 -30.074 51.739 1.00 0.00 O 
    10119  
    10120 Ignored bad PDB record found on line 86652 
    10121 ATOM 2555c HWS SOL W8556 -53.890 -30.560 52.562 1.00 0.00 H 
    10122  
    10123 Ignored bad PDB record found on line 86653 
    10124 ATOM 2555e HWS SOL W8556 -53.222 -29.358 51.928 1.00 0.00 H 
    10125  
    10126 Duplicate atom serial number found: 25560 
    10127 Duplicate atom serial number found: 25562 
    10128 Duplicate atom serial number found: 25564 
    10129 Duplicate atom serial number found: 25566 
    10130 Duplicate atom serial number found: 25568 
    10131 Ignored bad PDB record found on line 86659 
    10132 ATOM 2556a HWS SOL W8558 -64.963 -50.856 46.692 1.00 0.00 H 
    10133  
    10134 Ignored bad PDB record found on line 86660 
    10135 ATOM 2556c OWS SOL W8559 -78.423 -43.477 37.188 1.00 0.00 O 
    10136  
    10137 Ignored bad PDB record found on line 86661 
    10138 ATOM 2556e HWS SOL W8559 -78.904 -42.705 37.484 1.00 0.00 H 
    10139  
    10140 Duplicate atom serial number found: 25570 
    10141 Duplicate atom serial number found: 25572 
    10142 Duplicate atom serial number found: 25574 
    10143 Duplicate atom serial number found: 25576 
    10144 Duplicate atom serial number found: 25578 
    10145 Ignored bad PDB record found on line 86667 
    10146 ATOM 2557a HWS SOL W8561 -81.098 -31.747 46.060 1.00 0.00 H 
    10147  
    10148 Ignored bad PDB record found on line 86668 
    10149 ATOM 2557c HWS SOL W8561 -81.389 -33.218 45.854 1.00 0.00 H 
    10150  
    10151 Ignored bad PDB record found on line 86669 
    10152 ATOM 2557e OWS SOL W8562 -78.273 -36.436 39.046 1.00 0.00 O 
    10153  
    10154 Duplicate atom serial number found: 25580 
    10155 Duplicate atom serial number found: 25582 
    10156 Duplicate atom serial number found: 25584 
    10157 Duplicate atom serial number found: 25586 
    10158 Duplicate atom serial number found: 25588 
    10159 Ignored bad PDB record found on line 86675 
    10160 ATOM 2558a OWS SOL W8564 -78.096 -30.553 50.972 1.00 0.00 O 
    10161  
    10162 Ignored bad PDB record found on line 86676 
    10163 ATOM 2558c HWS SOL W8564 -78.074 -29.792 51.551 1.00 0.00 H 
    10164  
    10165 Ignored bad PDB record found on line 86677 
    10166 ATOM 2558e HWS SOL W8564 -77.227 -30.944 51.056 1.00 0.00 H 
    10167  
    10168 Duplicate atom serial number found: 25590 
    10169 Duplicate atom serial number found: 25592 
    10170 Duplicate atom serial number found: 25594 
    10171 Duplicate atom serial number found: 25596 
    10172 Duplicate atom serial number found: 25598 
    10173 Ignored bad PDB record found on line 86683 
    10174 ATOM 2559a HWS SOL W8566 88.903 -18.524 49.338 1.00 0.00 H 
    10175  
    10176 Ignored bad PDB record found on line 86684 
    10177 ATOM 2559c OWS SOL W8567 -87.300 -24.912 57.233 1.00 0.00 O 
    10178  
    10179 Ignored bad PDB record found on line 86685 
    10180 ATOM 2559e HWS SOL W8567 -87.969 -24.280 56.968 1.00 0.00 H 
    10181  
    10182 Ignored bad PDB record found on line 86686 
    10183 ATOM 255a0 HWS SOL W8567 -86.866 -25.159 56.416 1.00 0.00 H 
    10184  
    10185 Ignored bad PDB record found on line 86687 
    10186 ATOM 255a2 OWS SOL W8568 -63.440 -47.090 44.038 1.00 0.00 O 
    10187  
    10188 46 messages similar to the above omitted 
    10189 Duplicate atom serial number found: 25600 
    10190 Duplicate atom serial number found: 25602 
    10191 Duplicate atom serial number found: 25604 
    10192 Duplicate atom serial number found: 25606 
    10193 Duplicate atom serial number found: 25608 
    10194 Ignored bad PDB record found on line 86739 
    10195 ATOM 2560a HWS SOL W8585 -83.214 -56.730 42.944 1.00 0.00 H 
    10196  
    10197 Ignored bad PDB record found on line 86740 
    10198 ATOM 2560c HWS SOL W8585 -84.593 -57.347 42.852 1.00 0.00 H 
    10199  
    10200 Ignored bad PDB record found on line 86741 
    10201 ATOM 2560e OWS SOL W8586 -71.554 -22.475 63.638 1.00 0.00 O 
    10202  
    10203 Duplicate atom serial number found: 25610 
    10204 Duplicate atom serial number found: 25612 
    10205 Duplicate atom serial number found: 25614 
    10206 Duplicate atom serial number found: 25616 
    10207 Duplicate atom serial number found: 25618 
    10208 Ignored bad PDB record found on line 86747 
    10209 ATOM 2561a OWS SOL W8588 86.344 -23.436 40.425 1.00 0.00 O 
    10210  
    10211 Ignored bad PDB record found on line 86748 
    10212 ATOM 2561c HWS SOL W8588 86.337 -22.907 39.628 1.00 0.00 H 
    10213  
    10214 Ignored bad PDB record found on line 86749 
    10215 ATOM 2561e HWS SOL W8588 86.759 -22.877 41.081 1.00 0.00 H 
    10216  
    10217 Duplicate atom serial number found: 25620 
    10218 Duplicate atom serial number found: 25622 
    10219 Duplicate atom serial number found: 25624 
    10220 Duplicate atom serial number found: 25626 
    10221 Duplicate atom serial number found: 25628 
    10222 Ignored bad PDB record found on line 86755 
    10223 ATOM 2562a HWS SOL W8590 -71.540 -38.297 58.581 1.00 0.00 H 
    10224  
    10225 Ignored bad PDB record found on line 86756 
    10226 ATOM 2562c OWS SOL W8591 84.717 -42.832 37.642 1.00 0.00 O 
    10227  
    10228 Ignored bad PDB record found on line 86757 
    10229 ATOM 2562e HWS SOL W8591 84.526 -42.210 38.344 1.00 0.00 H 
    10230  
    10231 Duplicate atom serial number found: 25630 
    10232 Duplicate atom serial number found: 25632 
    10233 Duplicate atom serial number found: 25634 
    10234 Duplicate atom serial number found: 25636 
    10235 Duplicate atom serial number found: 25638 
    10236 Ignored bad PDB record found on line 86763 
    10237 ATOM 2563a HWS SOL W8593 -78.791 -27.626 52.267 1.00 0.00 H 
    10238  
    10239 Ignored bad PDB record found on line 86764 
    10240 ATOM 2563c HWS SOL W8593 -78.288 -28.609 53.303 1.00 0.00 H 
    10241  
    10242 Ignored bad PDB record found on line 86765 
    10243 ATOM 2563e OWS SOL W8594 -75.974 -23.043 58.919 1.00 0.00 O 
    10244  
    10245 Duplicate atom serial number found: 25640 
    10246 Duplicate atom serial number found: 25642 
    10247 Duplicate atom serial number found: 25644 
    10248 Duplicate atom serial number found: 25646 
    10249 Duplicate atom serial number found: 25648 
    10250 Ignored bad PDB record found on line 86771 
    10251 ATOM 2564a OWS SOL W8596 86.075 -22.625 56.415 1.00 0.00 O 
    10252  
    10253 Ignored bad PDB record found on line 86772 
    10254 ATOM 2564c HWS SOL W8596 86.606 -23.410 56.551 1.00 0.00 H 
    10255  
    10256 Ignored bad PDB record found on line 86773 
    10257 ATOM 2564e HWS SOL W8596 85.284 -22.777 56.934 1.00 0.00 H 
    10258  
    10259 Duplicate atom serial number found: 25650 
    10260 Duplicate atom serial number found: 25652 
    10261 Duplicate atom serial number found: 25654 
    10262 Duplicate atom serial number found: 25656 
    10263 Duplicate atom serial number found: 25658 
    10264 Ignored bad PDB record found on line 86779 
    10265 ATOM 2565a HWS SOL W8598 -76.715 -61.612 54.722 1.00 0.00 H 
    10266  
    10267 Ignored bad PDB record found on line 86780 
    10268 ATOM 2565c OWS SOL W8599 87.447 -53.372 51.070 1.00 0.00 O 
    10269  
    10270 Ignored bad PDB record found on line 86781 
    10271 ATOM 2565e HWS SOL W8599 86.963 -53.733 50.327 1.00 0.00 H 
    10272  
    10273 Duplicate atom serial number found: 25660 
    10274 Duplicate atom serial number found: 25662 
    10275 Duplicate atom serial number found: 25664 
    10276 Duplicate atom serial number found: 25666 
    10277 Duplicate atom serial number found: 25668 
    10278 Ignored bad PDB record found on line 86787 
    10279 ATOM 2566a HWS SOL W8601 81.389 -30.487 51.393 1.00 0.00 H 
    10280  
    10281 Ignored bad PDB record found on line 86788 
    10282 ATOM 2566c HWS SOL W8601 80.362 -30.237 50.310 1.00 0.00 H 
    10283  
    10284 Ignored bad PDB record found on line 86789 
    10285 ATOM 2566e OWS SOL W8602 73.188 -25.290 56.744 1.00 0.00 O 
    10286  
    10287 Duplicate atom serial number found: 25670 
    10288 Duplicate atom serial number found: 25672 
    10289 Duplicate atom serial number found: 25674 
    10290 Duplicate atom serial number found: 25676 
    10291 Duplicate atom serial number found: 25678 
    10292 Ignored bad PDB record found on line 86795 
    10293 ATOM 2567a OWS SOL W8604 76.778 -22.948 67.112 1.00 0.00 O 
    10294  
    10295 Ignored bad PDB record found on line 86796 
    10296 ATOM 2567c HWS SOL W8604 76.982 -22.053 67.384 1.00 0.00 H 
    10297  
    10298 Ignored bad PDB record found on line 86797 
    10299 ATOM 2567e HWS SOL W8604 77.093 -23.495 67.832 1.00 0.00 H 
    10300  
    10301 Duplicate atom serial number found: 25680 
    10302 Duplicate atom serial number found: 25682 
    10303 Duplicate atom serial number found: 25684 
    10304 Duplicate atom serial number found: 25686 
    10305 Duplicate atom serial number found: 25688 
    10306 Ignored bad PDB record found on line 86803 
    10307 ATOM 2568a HWS SOL W8606 80.077 -24.708 16.119 1.00 0.00 H 
    10308  
    10309 Ignored bad PDB record found on line 86804 
    10310 ATOM 2568c OWS SOL W8607 -89.065 -16.215 58.519 1.00 0.00 O 
    10311  
    10312 Ignored bad PDB record found on line 86805 
    10313 ATOM 2568e HWS SOL W8607 -88.549 -16.575 57.798 1.00 0.00 H 
    10314  
    10315 Duplicate atom serial number found: 25690 
    10316 Duplicate atom serial number found: 25692 
    10317 Duplicate atom serial number found: 25694 
    10318 Duplicate atom serial number found: 25696 
    10319 Duplicate atom serial number found: 25698 
    10320 Ignored bad PDB record found on line 86811 
    10321 ATOM 2569a HWS SOL W8609 87.608 -8.810 67.915 1.00 0.00 H 
    10322  
    10323 Ignored bad PDB record found on line 86812 
    10324 ATOM 2569c HWS SOL W8609 88.847 -8.060 68.354 1.00 0.00 H 
    10325  
    10326 Ignored bad PDB record found on line 86813 
    10327 ATOM 2569e OWS SOL W8610 -66.709 -43.743 59.138 1.00 0.00 O 
    10328  
    10329 Ignored bad PDB record found on line 86814 
    10330 ATOM 256a0 HWS SOL W8610 -65.981 -43.122 59.150 1.00 0.00 H 
    10331  
    10332 Ignored bad PDB record found on line 86815 
    10333 ATOM 256a2 HWS SOL W8610 -66.370 -44.518 59.587 1.00 0.00 H 
    10334  
    10335 46 messages similar to the above omitted 
    10336 Duplicate atom serial number found: 25700 
    10337 Duplicate atom serial number found: 25702 
    10338 Duplicate atom serial number found: 25704 
    10339 Duplicate atom serial number found: 25706 
    10340 Duplicate atom serial number found: 25708 
    10341 Ignored bad PDB record found on line 86867 
    10342 ATOM 2570a OWS SOL W8628 -86.196 -18.970 48.213 1.00 0.00 O 
    10343  
    10344 Ignored bad PDB record found on line 86868 
    10345 ATOM 2570c HWS SOL W8628 -86.758 -18.834 47.450 1.00 0.00 H 
    10346  
    10347 Ignored bad PDB record found on line 86869 
    10348 ATOM 2570e HWS SOL W8628 -85.981 -18.086 48.513 1.00 0.00 H 
    10349  
    10350 Duplicate atom serial number found: 25710 
    10351 Duplicate atom serial number found: 25712 
    10352 Duplicate atom serial number found: 25714 
    10353 Duplicate atom serial number found: 25716 
    10354 Duplicate atom serial number found: 25718 
    10355 Ignored bad PDB record found on line 86875 
    10356 ATOM 2571a HWS SOL W8630 -87.528 -23.837 44.355 1.00 0.00 H 
    10357  
    10358 Ignored bad PDB record found on line 86876 
    10359 ATOM 2571c OWS SOL W8631 87.465 -43.651 59.319 1.00 0.00 O 
    10360  
    10361 Ignored bad PDB record found on line 86877 
    10362 ATOM 2571e HWS SOL W8631 86.572 -43.942 59.135 1.00 0.00 H 
    10363  
    10364 Duplicate atom serial number found: 25720 
    10365 Duplicate atom serial number found: 25722 
    10366 Duplicate atom serial number found: 25724 
    10367 Duplicate atom serial number found: 25726 
    10368 Duplicate atom serial number found: 25728 
    10369 Ignored bad PDB record found on line 86883 
    10370 ATOM 2572a HWS SOL W8633 74.194 -35.324 63.973 1.00 0.00 H 
    10371  
    10372 Ignored bad PDB record found on line 86884 
    10373 ATOM 2572c HWS SOL W8633 74.904 -35.519 62.650 1.00 0.00 H 
    10374  
    10375 Ignored bad PDB record found on line 86885 
    10376 ATOM 2572e OWS SOL W8634 -61.885 -32.246 59.176 1.00 0.00 O 
    10377  
    10378 Duplicate atom serial number found: 25730 
    10379 Duplicate atom serial number found: 25732 
    10380 Duplicate atom serial number found: 25734 
    10381 Duplicate atom serial number found: 25736 
    10382 Duplicate atom serial number found: 25738 
    10383 Ignored bad PDB record found on line 86891 
    10384 ATOM 2573a OWS SOL W8636 -79.934 -34.892 66.201 1.00 0.00 O 
    10385  
    10386 Ignored bad PDB record found on line 86892 
    10387 ATOM 2573c HWS SOL W8636 -80.652 -35.143 65.620 1.00 0.00 H 
    10388  
    10389 Ignored bad PDB record found on line 86893 
    10390 ATOM 2573e HWS SOL W8636 -80.161 -35.283 67.045 1.00 0.00 H 
    10391  
    10392 Duplicate atom serial number found: 25740 
    10393 Duplicate atom serial number found: 25742 
    10394 Duplicate atom serial number found: 25744 
    10395 Duplicate atom serial number found: 25746 
    10396 Duplicate atom serial number found: 25748 
    10397 Ignored bad PDB record found on line 86899 
    10398 ATOM 2574a HWS SOL W8638 -87.490 -53.458 55.398 1.00 0.00 H 
    10399  
    10400 Ignored bad PDB record found on line 86900 
    10401 ATOM 2574c OWS SOL W8639 -88.748 -26.346 62.924 1.00 0.00 O 
    10402  
    10403 Ignored bad PDB record found on line 86901 
    10404 ATOM 2574e HWS SOL W8639 -88.469 -27.212 62.629 1.00 0.00 H 
    10405  
    10406 Duplicate atom serial number found: 25750 
    10407 Duplicate atom serial number found: 25752 
    10408 Duplicate atom serial number found: 25754 
    10409 Duplicate atom serial number found: 25756 
    10410 Duplicate atom serial number found: 25758 
    10411 Ignored bad PDB record found on line 86907 
    10412 ATOM 2575a HWS SOL W8641 -82.725 -3.775 31.400 1.00 0.00 H 
    10413  
    10414 Ignored bad PDB record found on line 86908 
    10415 ATOM 2575c HWS SOL W8641 -83.594 -5.014 31.421 1.00 0.00 H 
    10416  
    10417 Ignored bad PDB record found on line 86909 
    10418 ATOM 2575e OWS SOL W8642 -86.127 -29.779 38.020 1.00 0.00 O 
    10419  
    10420 Duplicate atom serial number found: 25760 
    10421 Duplicate atom serial number found: 25762 
    10422 Duplicate atom serial number found: 25764 
    10423 Duplicate atom serial number found: 25766 
    10424 Duplicate atom serial number found: 25768 
    10425 Ignored bad PDB record found on line 86915 
    10426 ATOM 2576a OWS SOL W8644 -63.300 -22.998 46.775 1.00 0.00 O 
    10427  
    10428 Ignored bad PDB record found on line 86916 
    10429 ATOM 2576c HWS SOL W8644 -63.474 -23.320 47.659 1.00 0.00 H 
    10430  
    10431 Ignored bad PDB record found on line 86917 
    10432 ATOM 2576e HWS SOL W8644 -63.810 -22.190 46.709 1.00 0.00 H 
    10433  
    10434 Duplicate atom serial number found: 25770 
    10435 Duplicate atom serial number found: 25772 
    10436 Duplicate atom serial number found: 25774 
    10437 Duplicate atom serial number found: 25776 
    10438 Duplicate atom serial number found: 25778 
    10439 Ignored bad PDB record found on line 86923 
    10440 ATOM 2577a HWS SOL W8646 -70.466 -26.326 67.022 1.00 0.00 H 
    10441  
    10442 Ignored bad PDB record found on line 86924 
    10443 ATOM 2577c OWS SOL W8647 -85.997 -34.787 38.877 1.00 0.00 O 
    10444  
    10445 Ignored bad PDB record found on line 86925 
    10446 ATOM 2577e HWS SOL W8647 -86.801 -35.228 39.150 1.00 0.00 H 
    10447  
    10448 Duplicate atom serial number found: 25780 
    10449 Duplicate atom serial number found: 25782 
    10450 Duplicate atom serial number found: 25784 
    10451 Duplicate atom serial number found: 25786 
    10452 Duplicate atom serial number found: 25788 
    10453 Ignored bad PDB record found on line 86931 
    10454 ATOM 2578a HWS SOL W8649 -54.945 -39.693 61.587 1.00 0.00 H 
    10455  
    10456 Ignored bad PDB record found on line 86932 
    10457 ATOM 2578c HWS SOL W8649 -56.046 -39.032 62.389 1.00 0.00 H 
    10458  
    10459 Ignored bad PDB record found on line 86933 
    10460 ATOM 2578e OWS SOL W8650 86.133 -9.652 41.690 1.00 0.00 O 
    10461  
    10462 Duplicate atom serial number found: 25790 
    10463 Duplicate atom serial number found: 25792 
    10464 Duplicate atom serial number found: 25794 
    10465 Duplicate atom serial number found: 25796 
    10466 Duplicate atom serial number found: 25798 
    10467 Ignored bad PDB record found on line 86939 
    10468 ATOM 2579a OWS SOL W8652 -82.611 -49.388 55.712 1.00 0.00 O 
    10469  
    10470 Ignored bad PDB record found on line 86940 
    10471 ATOM 2579c HWS SOL W8652 -83.037 -49.161 54.885 1.00 0.00 H 
    10472  
    10473 Ignored bad PDB record found on line 86941 
    10474 ATOM 2579e HWS SOL W8652 -83.256 -49.921 56.176 1.00 0.00 H 
    10475  
    10476 Ignored bad PDB record found on line 86942 
    10477 ATOM 257a0 OWS SOL W8653 -75.249 -33.049 28.400 1.00 0.00 O 
    10478  
    10479 Ignored bad PDB record found on line 86943 
    10480 ATOM 257a2 HWS SOL W8653 -76.101 -33.243 28.009 1.00 0.00 H 
    10481  
    10482 46 messages similar to the above omitted 
    10483 Duplicate atom serial number found: 25800 
    10484 Duplicate atom serial number found: 25802 
    10485 Duplicate atom serial number found: 25804 
    10486 Duplicate atom serial number found: 25806 
    10487 Duplicate atom serial number found: 25808 
    10488 Ignored bad PDB record found on line 86995 
    10489 ATOM 2580a HWS SOL W8670 -75.875 -25.446 62.732 1.00 0.00 H 
    10490  
    10491 Ignored bad PDB record found on line 86996 
    10492 ATOM 2580c OWS SOL W8671 -78.688 -23.777 -86.966 1.00 0.00 O 
    10493  
    10494 Ignored bad PDB record found on line 86997 
    10495 ATOM 2580e HWS SOL W8671 -78.943 -23.059 -87.545 1.00 0.00 H 
    10496  
    10497 Duplicate atom serial number found: 25810 
    10498 Duplicate atom serial number found: 25812 
    10499 Duplicate atom serial number found: 25814 
    10500 Duplicate atom serial number found: 25816 
    10501 Duplicate atom serial number found: 25818 
    10502 Ignored bad PDB record found on line 87003 
    10503 ATOM 2581a HWS SOL W8673 87.699 -30.405 63.402 1.00 0.00 H 
    10504  
    10505 Ignored bad PDB record found on line 87004 
    10506 ATOM 2581c HWS SOL W8673 86.400 -30.289 62.633 1.00 0.00 H 
    10507  
    10508 Ignored bad PDB record found on line 87005 
    10509 ATOM 2581e OWS SOL W8674 -70.282 -45.692 49.088 1.00 0.00 O 
    10510  
    10511 Duplicate atom serial number found: 25820 
    10512 Duplicate atom serial number found: 25822 
    10513 Duplicate atom serial number found: 25824 
    10514 Duplicate atom serial number found: 25826 
    10515 Duplicate atom serial number found: 25828 
    10516 Ignored bad PDB record found on line 87011 
    10517 ATOM 2582a OWS SOL W8676 -84.130 -19.530 69.284 1.00 0.00 O 
    10518  
    10519 Ignored bad PDB record found on line 87012 
    10520 ATOM 2582c HWS SOL W8676 -83.420 -20.159 69.412 1.00 0.00 H 
    10521  
    10522 Ignored bad PDB record found on line 87013 
    10523 ATOM 2582e HWS SOL W8676 -83.850 -18.751 69.763 1.00 0.00 H 
    10524  
    10525 Duplicate atom serial number found: 25830 
    10526 Duplicate atom serial number found: 25832 
    10527 Duplicate atom serial number found: 25834 
    10528 Duplicate atom serial number found: 25836 
    10529 Duplicate atom serial number found: 25838 
    10530 Ignored bad PDB record found on line 87019 
    10531 ATOM 2583a HWS SOL W8678 -88.018 -34.939 47.065 1.00 0.00 H 
    10532  
    10533 Ignored bad PDB record found on line 87020 
    10534 ATOM 2583c OWS SOL W8679 -71.216 -21.573 66.290 1.00 0.00 O 
    10535  
    10536 Ignored bad PDB record found on line 87021 
    10537 ATOM 2583e HWS SOL W8679 -70.777 -22.145 66.921 1.00 0.00 H 
    10538  
    10539 Duplicate atom serial number found: 25840 
    10540 Duplicate atom serial number found: 25842 
    10541 Duplicate atom serial number found: 25844 
    10542 Duplicate atom serial number found: 25846 
    10543 Duplicate atom serial number found: 25848 
    10544 Ignored bad PDB record found on line 87027 
    10545 ATOM 2584a HWS SOL W8681 -77.852 -33.842 50.620 1.00 0.00 H 
    10546  
    10547 Ignored bad PDB record found on line 87028 
    10548 ATOM 2584c HWS SOL W8681 -76.362 -33.845 50.888 1.00 0.00 H 
    10549  
    10550 Ignored bad PDB record found on line 87029 
    10551 ATOM 2584e OWS SOL W8682 82.715 -25.875 50.139 1.00 0.00 O 
    10552  
    10553 Duplicate atom serial number found: 25850 
    10554 Duplicate atom serial number found: 25852 
    10555 Duplicate atom serial number found: 25854 
    10556 Duplicate atom serial number found: 25856 
    10557 Duplicate atom serial number found: 25858 
    10558 Ignored bad PDB record found on line 87035 
    10559 ATOM 2585a OWS SOL W8684 -69.323 -23.685 52.198 1.00 0.00 O 
    10560  
    10561 Ignored bad PDB record found on line 87036 
    10562 ATOM 2585c HWS SOL W8684 -70.025 -23.908 52.809 1.00 0.00 H 
    10563  
    10564 Ignored bad PDB record found on line 87037 
    10565 ATOM 2585e HWS SOL W8684 -69.704 -23.016 51.628 1.00 0.00 H 
    10566  
    10567 Duplicate atom serial number found: 25860 
    10568 Duplicate atom serial number found: 25862 
    10569 Duplicate atom serial number found: 25864 
    10570 Duplicate atom serial number found: 25866 
    10571 Duplicate atom serial number found: 25868 
    10572 Ignored bad PDB record found on line 87043 
    10573 ATOM 2586a HWS SOL W8686 -70.276 -20.076 56.982 1.00 0.00 H 
    10574  
    10575 Ignored bad PDB record found on line 87044 
    10576 ATOM 2586c OWS SOL W8687 -81.996 -4.456 52.902 1.00 0.00 O 
    10577  
    10578 Ignored bad PDB record found on line 87045 
    10579 ATOM 2586e HWS SOL W8687 -81.962 -4.544 51.949 1.00 0.00 H 
    10580  
    10581 Duplicate atom serial number found: 25870 
    10582 Duplicate atom serial number found: 25872 
    10583 Duplicate atom serial number found: 25874 
    10584 Duplicate atom serial number found: 25876 
    10585 Duplicate atom serial number found: 25878 
    10586 Ignored bad PDB record found on line 87051 
    10587 ATOM 2587a HWS SOL W8689 -82.041 -22.038 48.753 1.00 0.00 H 
    10588  
    10589 Ignored bad PDB record found on line 87052 
    10590 ATOM 2587c HWS SOL W8689 -83.151 -22.782 48.042 1.00 0.00 H 
    10591  
    10592 Ignored bad PDB record found on line 87053 
    10593 ATOM 2587e OWS SOL W8690 -65.305 -34.601 38.369 1.00 0.00 O 
    10594  
    10595 Duplicate atom serial number found: 25880 
    10596 Duplicate atom serial number found: 25882 
    10597 Duplicate atom serial number found: 25884 
    10598 Duplicate atom serial number found: 25886 
    10599 Duplicate atom serial number found: 25888 
    10600 Ignored bad PDB record found on line 87059 
    10601 ATOM 2588a OWS SOL W8692 -75.553 -37.987 37.037 1.00 0.00 O 
    10602  
    10603 Ignored bad PDB record found on line 87060 
    10604 ATOM 2588c HWS SOL W8692 -75.855 -38.041 36.130 1.00 0.00 H 
    10605  
    10606 Ignored bad PDB record found on line 87061 
    10607 ATOM 2588e HWS SOL W8692 -76.318 -38.225 37.559 1.00 0.00 H 
    10608  
    10609 Duplicate atom serial number found: 25890 
    10610 Duplicate atom serial number found: 25892 
    10611 Duplicate atom serial number found: 25894 
    10612 Duplicate atom serial number found: 25896 
    10613 Duplicate atom serial number found: 25898 
    10614 Ignored bad PDB record found on line 87067 
    10615 ATOM 2589a HWS SOL W8694 87.323 -27.763 47.677 1.00 0.00 H 
    10616  
    10617 Ignored bad PDB record found on line 87068 
    10618 ATOM 2589c OWS SOL W8695 -71.573 -24.121 54.056 1.00 0.00 O 
    10619  
    10620 Ignored bad PDB record found on line 87069 
    10621 ATOM 2589e HWS SOL W8695 -71.119 -24.407 54.849 1.00 0.00 H 
    10622  
    10623 Ignored bad PDB record found on line 87070 
    10624 ATOM 258a0 HWS SOL W8695 -72.478 -24.410 54.181 1.00 0.00 H 
    10625  
    10626 Ignored bad PDB record found on line 87071 
    10627 ATOM 258a2 OWS SOL W8696 -72.136 -60.318 49.097 1.00 0.00 O 
    10628  
    10629 46 messages similar to the above omitted 
    10630 Duplicate atom serial number found: 25900 
    10631 Duplicate atom serial number found: 25902 
    10632 Duplicate atom serial number found: 25904 
    10633 Duplicate atom serial number found: 25906 
    10634 Duplicate atom serial number found: 25908 
    10635 Ignored bad PDB record found on line 87123 
    10636 ATOM 2590a HWS SOL W8713 -79.872 -14.133 41.924 1.00 0.00 H 
    10637  
    10638 Ignored bad PDB record found on line 87124 
    10639 ATOM 2590c HWS SOL W8713 -79.701 -15.341 41.027 1.00 0.00 H 
    10640  
    10641 Ignored bad PDB record found on line 87125 
    10642 ATOM 2590e OWS SOL W8714 -85.364 -39.629 65.228 1.00 0.00 O 
    10643  
    10644 Duplicate atom serial number found: 25910 
    10645 Duplicate atom serial number found: 25912 
    10646 Duplicate atom serial number found: 25914 
    10647 Duplicate atom serial number found: 25916 
    10648 Duplicate atom serial number found: 25918 
    10649 Ignored bad PDB record found on line 87131 
    10650 ATOM 2591a OWS SOL W8716 -67.124 -20.039 75.333 1.00 0.00 O 
    10651  
    10652 Ignored bad PDB record found on line 87132 
    10653 ATOM 2591c HWS SOL W8716 -67.976 -19.997 74.898 1.00 0.00 H 
    10654  
    10655 Ignored bad PDB record found on line 87133 
    10656 ATOM 2591e HWS SOL W8716 -67.242 -20.685 76.029 1.00 0.00 H 
    10657  
    10658 Duplicate atom serial number found: 25920 
    10659 Duplicate atom serial number found: 25922 
    10660 Duplicate atom serial number found: 25924 
    10661 Duplicate atom serial number found: 25926 
    10662 Duplicate atom serial number found: 25928 
    10663 Ignored bad PDB record found on line 87139 
    10664 ATOM 2592a HWS SOL W8718 -70.349 -16.562 67.602 1.00 0.00 H 
    10665  
    10666 Ignored bad PDB record found on line 87140 
    10667 ATOM 2592c OWS SOL W8719 86.076 -17.278 68.103 1.00 0.00 O 
    10668  
    10669 Ignored bad PDB record found on line 87141 
    10670 ATOM 2592e HWS SOL W8719 86.097 -17.291 69.060 1.00 0.00 H 
    10671  
    10672 Duplicate atom serial number found: 25930 
    10673 Duplicate atom serial number found: 25932 
    10674 Duplicate atom serial number found: 25934 
    10675 Duplicate atom serial number found: 25936 
    10676 Duplicate atom serial number found: 25938 
    10677 Ignored bad PDB record found on line 87147 
    10678 ATOM 2593a HWS SOL W8721 -73.296 0.636 49.339 1.00 0.00 H 
    10679  
    10680 Ignored bad PDB record found on line 87148 
    10681 ATOM 2593c HWS SOL W8721 -73.676 2.092 49.174 1.00 0.00 H 
    10682  
    10683 Ignored bad PDB record found on line 87149 
    10684 ATOM 2593e OWS SOL W8722 88.805 -25.099 44.063 1.00 0.00 O 
    10685  
    10686 Duplicate atom serial number found: 25940 
    10687 Duplicate atom serial number found: 25942 
    10688 Duplicate atom serial number found: 25944 
    10689 Duplicate atom serial number found: 25946 
    10690 Duplicate atom serial number found: 25948 
    10691 Ignored bad PDB record found on line 87155 
    10692 ATOM 2594a OWS SOL W8724 -86.095 -10.890 63.582 1.00 0.00 O 
    10693  
    10694 Ignored bad PDB record found on line 87156 
    10695 ATOM 2594c HWS SOL W8724 -86.522 -11.583 63.077 1.00 0.00 H 
    10696  
    10697 Ignored bad PDB record found on line 87157 
    10698 ATOM 2594e HWS SOL W8724 -85.721 -10.307 62.921 1.00 0.00 H 
    10699  
    10700 Duplicate atom serial number found: 25950 
    10701 Duplicate atom serial number found: 25952 
    10702 Duplicate atom serial number found: 25954 
    10703 Duplicate atom serial number found: 25956 
    10704 Duplicate atom serial number found: 25958 
    10705 Ignored bad PDB record found on line 87163 
    10706 ATOM 2595a HWS SOL W8726 -73.971 -16.057 61.398 1.00 0.00 H 
    10707  
    10708 Ignored bad PDB record found on line 87164 
    10709 ATOM 2595c OWS SOL W8727 86.688 -44.823 55.155 1.00 0.00 O 
    10710  
    10711 Ignored bad PDB record found on line 87165 
    10712 ATOM 2595e HWS SOL W8727 87.224 -45.591 54.956 1.00 0.00 H 
    10713  
    10714 Duplicate atom serial number found: 25960 
    10715 Duplicate atom serial number found: 25962 
    10716 Duplicate atom serial number found: 25964 
    10717 Duplicate atom serial number found: 25966 
    10718 Duplicate atom serial number found: 25968 
    10719 Ignored bad PDB record found on line 87171 
    10720 ATOM 2596a HWS SOL W8729 -81.878 -48.513 43.839 1.00 0.00 H 
    10721  
    10722 Ignored bad PDB record found on line 87172 
    10723 ATOM 2596c HWS SOL W8729 -82.409 -49.164 42.580 1.00 0.00 H 
    10724  
    10725 Ignored bad PDB record found on line 87173 
    10726 ATOM 2596e OWS SOL W8730 -78.202 -42.812 23.340 1.00 0.00 O 
    10727  
    10728 Duplicate atom serial number found: 25970 
    10729 Duplicate atom serial number found: 25972 
    10730 Duplicate atom serial number found: 25974 
    10731 Duplicate atom serial number found: 25976 
    10732 Duplicate atom serial number found: 25978 
    10733 Ignored bad PDB record found on line 87179 
    10734 ATOM 2597a OWS SOL W8732 -73.119 -21.264 61.319 1.00 0.00 O 
    10735  
    10736 Ignored bad PDB record found on line 87180 
    10737 ATOM 2597c HWS SOL W8732 -73.909 -21.703 61.635 1.00 0.00 H 
    10738  
    10739 Ignored bad PDB record found on line 87181 
    10740 ATOM 2597e HWS SOL W8732 -73.218 -20.356 61.603 1.00 0.00 H 
    10741  
    10742 Duplicate atom serial number found: 25980 
    10743 Duplicate atom serial number found: 25982 
    10744 Duplicate atom serial number found: 25984 
    10745 Duplicate atom serial number found: 25986 
    10746 Duplicate atom serial number found: 25988 
    10747 Ignored bad PDB record found on line 87187 
    10748 ATOM 2598a HWS SOL W8734 -88.050 -24.428 76.164 1.00 0.00 H 
    10749  
    10750 Ignored bad PDB record found on line 87188 
    10751 ATOM 2598c OWS SOL W8735 -85.612 -29.134 49.688 1.00 0.00 O 
    10752  
    10753 Ignored bad PDB record found on line 87189 
    10754 ATOM 2598e HWS SOL W8735 -85.969 -29.161 48.800 1.00 0.00 H 
    10755  
    10756 Duplicate atom serial number found: 25990 
    10757 Duplicate atom serial number found: 25992 
    10758 Duplicate atom serial number found: 25994 
    10759 Duplicate atom serial number found: 25996 
    10760 Duplicate atom serial number found: 25998 
    10761 Ignored bad PDB record found on line 87195 
    10762 ATOM 2599a HWS SOL W8737 -80.584 -29.197 77.200 1.00 0.00 H 
    10763  
    10764 Ignored bad PDB record found on line 87196 
    10765 ATOM 2599c HWS SOL W8737 -80.032 -28.667 75.893 1.00 0.00 H 
    10766  
    10767 Ignored bad PDB record found on line 87197 
    10768 ATOM 2599e OWS SOL W8738 -63.695 -17.684 61.287 1.00 0.00 O 
    10769  
    10770 Ignored bad PDB record found on line 87198 
    10771 ATOM 259a0 HWS SOL W8738 -63.301 -17.151 60.597 1.00 0.00 H 
    10772  
    10773 Ignored bad PDB record found on line 87199 
    10774 ATOM 259a2 HWS SOL W8738 -64.593 -17.834 60.993 1.00 0.00 H 
    10775  
    10776 814 messages similar to the above omitted 
    10777 Duplicate atom serial number found: 26000 
    10778 Duplicate atom serial number found: 26002 
    10779 Duplicate atom serial number found: 26004 
    10780 Duplicate atom serial number found: 26006 
    10781 Duplicate atom serial number found: 26008 
    10782 Ignored bad PDB record found on line 88019 
    10783 ATOM 2600a OWS SOL W9015 -85.334 -40.656 70.995 1.00 0.00 O 
    10784  
    10785 Ignored bad PDB record found on line 88020 
    10786 ATOM 2600c HWS SOL W9015 -85.694 -40.905 71.847 1.00 0.00 H 
    10787  
    10788 Ignored bad PDB record found on line 88021 
    10789 ATOM 2600e HWS SOL W9015 -85.313 -39.699 71.014 1.00 0.00 H 
    10790  
    10791 Duplicate atom serial number found: 26010 
    10792 Duplicate atom serial number found: 26012 
    10793 Duplicate atom serial number found: 26014 
    10794 Duplicate atom serial number found: 26016 
    10795 Duplicate atom serial number found: 26018 
    10796 Ignored bad PDB record found on line 88027 
    10797 ATOM 2601a HWS SOL W9017 81.337 -15.125 59.870 1.00 0.00 H 
    10798  
    10799 Ignored bad PDB record found on line 88028 
    10800 ATOM 2601c OWS SOL W9018 -71.293 -40.489 69.321 1.00 0.00 O 
    10801  
    10802 Ignored bad PDB record found on line 88029 
    10803 ATOM 2601e HWS SOL W9018 -70.672 -40.750 70.001 1.00 0.00 H 
    10804  
    10805 Duplicate atom serial number found: 26020 
    10806 Duplicate atom serial number found: 26022 
    10807 Duplicate atom serial number found: 26024 
    10808 Duplicate atom serial number found: 26026 
    10809 Duplicate atom serial number found: 26028 
    10810 Ignored bad PDB record found on line 88035 
    10811 ATOM 2602a HWS SOL W9020 -76.742 -40.534 88.445 1.00 0.00 H 
    10812  
    10813 Ignored bad PDB record found on line 88036 
    10814 ATOM 2602c HWS SOL W9020 -76.965 -41.560 87.354 1.00 0.00 H 
    10815  
    10816 Ignored bad PDB record found on line 88037 
    10817 ATOM 2602e OWS SOL W9021 -77.792 -42.713 -83.593 1.00 0.00 O 
    10818  
    10819 Duplicate atom serial number found: 26030 
    10820 Duplicate atom serial number found: 26032 
    10821 Duplicate atom serial number found: 26034 
    10822 Duplicate atom serial number found: 26036 
    10823 Duplicate atom serial number found: 26038 
    10824 Ignored bad PDB record found on line 88043 
    10825 ATOM 2603a OWS SOL W9023 71.814 -3.063 55.914 1.00 0.00 O 
    10826  
    10827 Ignored bad PDB record found on line 88044 
    10828 ATOM 2603c HWS SOL W9023 70.957 -3.255 56.296 1.00 0.00 H 
    10829  
    10830 Ignored bad PDB record found on line 88045 
    10831 ATOM 2603e HWS SOL W9023 71.692 -2.230 55.458 1.00 0.00 H 
    10832  
    10833 Duplicate atom serial number found: 26040 
    10834 Duplicate atom serial number found: 26042 
    10835 Duplicate atom serial number found: 26044 
    10836 Duplicate atom serial number found: 26046 
    10837 Duplicate atom serial number found: 26048 
    10838 Ignored bad PDB record found on line 88051 
    10839 ATOM 2604a HWS SOL W9025 78.001 -35.376 89.677 1.00 0.00 H 
    10840  
    10841 Ignored bad PDB record found on line 88052 
    10842 ATOM 2604c OWS SOL W9026 -88.301 -21.414 82.169 1.00 0.00 O 
    10843  
    10844 Ignored bad PDB record found on line 88053 
    10845 ATOM 2604e HWS SOL W9026 -87.511 -20.899 82.010 1.00 0.00 H 
    10846  
    10847 Duplicate atom serial number found: 26050 
    10848 Duplicate atom serial number found: 26052 
    10849 Duplicate atom serial number found: 26054 
    10850 Duplicate atom serial number found: 26056 
    10851 Duplicate atom serial number found: 26058 
    10852 Ignored bad PDB record found on line 88059 
    10853 ATOM 2605a HWS SOL W9028 -80.087 -29.575 -80.127 1.00 0.00 H 
    10854  
    10855 Ignored bad PDB record found on line 88060 
    10856 ATOM 2605c HWS SOL W9028 -80.568 -30.632 -81.098 1.00 0.00 H 
    10857  
    10858 Ignored bad PDB record found on line 88061 
    10859 ATOM 2605e OWS SOL W9029 -69.975 -24.593 -81.346 1.00 0.00 O 
    10860  
    10861 Duplicate atom serial number found: 26060 
    10862 Duplicate atom serial number found: 26062 
    10863 Duplicate atom serial number found: 26064 
    10864 Duplicate atom serial number found: 26066 
    10865 Duplicate atom serial number found: 26068 
    10866 Ignored bad PDB record found on line 88067 
    10867 ATOM 2606a OWS SOL W9031 -81.761 -25.416 85.313 1.00 0.00 O 
    10868  
    10869 Ignored bad PDB record found on line 88068 
    10870 ATOM 2606c HWS SOL W9031 -82.110 -26.039 85.951 1.00 0.00 H 
    10871  
    10872 Ignored bad PDB record found on line 88069 
    10873 ATOM 2606e HWS SOL W9031 -81.840 -24.564 85.742 1.00 0.00 H 
    10874  
    10875 Duplicate atom serial number found: 26070 
    10876 Duplicate atom serial number found: 26072 
    10877 Duplicate atom serial number found: 26074 
    10878 Duplicate atom serial number found: 26076 
    10879 Duplicate atom serial number found: 26078 
    10880 Ignored bad PDB record found on line 88075 
    10881 ATOM 2607a HWS SOL W9033 -79.331 -25.715 71.932 1.00 0.00 H 
    10882  
    10883 Ignored bad PDB record found on line 88076 
    10884 ATOM 2607c OWS SOL W9034 89.335 -58.046 76.590 1.00 0.00 O 
    10885  
    10886 Ignored bad PDB record found on line 88077 
    10887 ATOM 2607e HWS SOL W9034 89.533 -58.307 75.690 1.00 0.00 H 
    10888  
    10889 Duplicate atom serial number found: 26080 
    10890 Duplicate atom serial number found: 26082 
    10891 Duplicate atom serial number found: 26084 
    10892 Duplicate atom serial number found: 26086 
    10893 Duplicate atom serial number found: 26088 
    10894 Ignored bad PDB record found on line 88083 
    10895 ATOM 2608a HWS SOL W9036 -87.433 -11.503 69.880 1.00 0.00 H 
    10896  
    10897 Ignored bad PDB record found on line 88084 
    10898 ATOM 2608c HWS SOL W9036 -87.954 -12.233 68.660 1.00 0.00 H 
    10899  
    10900 Ignored bad PDB record found on line 88085 
    10901 ATOM 2608e OWS SOL W9037 77.082 -17.575 -88.639 1.00 0.00 O 
    10902  
    10903 Duplicate atom serial number found: 26090 
    10904 Duplicate atom serial number found: 26092 
    10905 Duplicate atom serial number found: 26094 
    10906 Duplicate atom serial number found: 26096 
    10907 Duplicate atom serial number found: 26098 
    10908 Ignored bad PDB record found on line 88091 
    10909 ATOM 2609a OWS SOL W9039 86.213 -11.870 73.018 1.00 0.00 O 
    10910  
    10911 Ignored bad PDB record found on line 88092 
    10912 ATOM 2609c HWS SOL W9039 86.615 -11.520 73.813 1.00 0.00 H 
    10913  
    10914 Ignored bad PDB record found on line 88093 
    10915 ATOM 2609e HWS SOL W9039 85.908 -11.096 72.543 1.00 0.00 H 
    10916  
    10917 Ignored bad PDB record found on line 88094 
    10918 ATOM 260a0 OWS SOL W9040 79.180 -17.986 88.331 1.00 0.00 O 
    10919  
    10920 Ignored bad PDB record found on line 88095 
    10921 ATOM 260a2 HWS SOL W9040 79.097 -17.724 87.414 1.00 0.00 H 
    10922  
    10923 46 messages similar to the above omitted 
    10924 Duplicate atom serial number found: 26100 
    10925 Duplicate atom serial number found: 26102 
    10926 Duplicate atom serial number found: 26104 
    10927 Duplicate atom serial number found: 26106 
    10928 Duplicate atom serial number found: 26108 
    10929 Ignored bad PDB record found on line 88147 
    10930 ATOM 2610a HWS SOL W9057 -76.953 -32.046 55.990 1.00 0.00 H 
    10931  
    10932 Ignored bad PDB record found on line 88148 
    10933 ATOM 2610c OWS SOL W9058 -79.500 -46.973 72.302 1.00 0.00 O 
    10934  
    10935 Ignored bad PDB record found on line 88149 
    10936 ATOM 2610e HWS SOL W9058 -79.098 -46.413 72.966 1.00 0.00 H 
    10937  
    10938 Duplicate atom serial number found: 26110 
    10939 Duplicate atom serial number found: 26112 
    10940 Duplicate atom serial number found: 26114 
    10941 Duplicate atom serial number found: 26116 
    10942 Duplicate atom serial number found: 26118 
    10943 Ignored bad PDB record found on line 88155 
    10944 ATOM 2611a HWS SOL W9060 -63.625 -13.044 -77.181 1.00 0.00 H 
    10945  
    10946 Ignored bad PDB record found on line 88156 
    10947 ATOM 2611c HWS SOL W9060 -63.037 -11.652 -77.088 1.00 0.00 H 
    10948  
    10949 Ignored bad PDB record found on line 88157 
    10950 ATOM 2611e OWS SOL W9061 85.148 -19.027 75.212 1.00 0.00 O 
    10951  
    10952 Duplicate atom serial number found: 26120 
    10953 Duplicate atom serial number found: 26122 
    10954 Duplicate atom serial number found: 26124 
    10955 Duplicate atom serial number found: 26126 
    10956 Duplicate atom serial number found: 26128 
    10957 Ignored bad PDB record found on line 88163 
    10958 ATOM 2612a OWS SOL W9063 -73.405 -0.235 82.343 1.00 0.00 O 
    10959  
    10960 Ignored bad PDB record found on line 88164 
    10961 ATOM 2612c HWS SOL W9063 -73.009 -0.928 81.815 1.00 0.00 H 
    10962  
    10963 Ignored bad PDB record found on line 88165 
    10964 ATOM 2612e HWS SOL W9063 -73.997 0.217 81.741 1.00 0.00 H 
    10965  
    10966 Duplicate atom serial number found: 26130 
    10967 Duplicate atom serial number found: 26132 
    10968 Duplicate atom serial number found: 26134 
    10969 Duplicate atom serial number found: 26136 
    10970 Duplicate atom serial number found: 26138 
    10971 Ignored bad PDB record found on line 88171 
    10972 ATOM 2613a HWS SOL W9065 -73.304 -46.324 -79.328 1.00 0.00 H 
    10973  
    10974 Ignored bad PDB record found on line 88172 
    10975 ATOM 2613c OWS SOL W9066 83.990 -30.011 60.496 1.00 0.00 O 
    10976  
    10977 Ignored bad PDB record found on line 88173 
    10978 ATOM 2613e HWS SOL W9066 83.405 -29.828 59.762 1.00 0.00 H 
    10979  
    10980 Duplicate atom serial number found: 26140 
    10981 Duplicate atom serial number found: 26142 
    10982 Duplicate atom serial number found: 26144 
    10983 Duplicate atom serial number found: 26146 
    10984 Duplicate atom serial number found: 26148 
    10985 Ignored bad PDB record found on line 88179 
    10986 ATOM 2614a HWS SOL W9068 -83.265 -15.610 79.231 1.00 0.00 H 
    10987  
    10988 Ignored bad PDB record found on line 88180 
    10989 ATOM 2614c HWS SOL W9068 -81.972 -15.417 79.993 1.00 0.00 H 
    10990  
    10991 Ignored bad PDB record found on line 88181 
    10992 ATOM 2614e OWS SOL W9069 -79.868 -13.603 86.251 1.00 0.00 O 
    10993  
    10994 Duplicate atom serial number found: 26150 
    10995 Duplicate atom serial number found: 26152 
    10996 Duplicate atom serial number found: 26154 
    10997 Duplicate atom serial number found: 26156 
    10998 Duplicate atom serial number found: 26158 
    10999 Ignored bad PDB record found on line 88187 
    11000 ATOM 2615a OWS SOL W9071 -88.623 -9.385 85.128 1.00 0.00 O 
    11001  
    11002 Ignored bad PDB record found on line 88188 
    11003 ATOM 2615c HWS SOL W9071 -88.624 -9.736 86.018 1.00 0.00 H 
    11004  
    11005 Ignored bad PDB record found on line 88189 
    11006 ATOM 2615e HWS SOL W9071 -87.742 -9.564 84.800 1.00 0.00 H 
    11007  
    11008 Duplicate atom serial number found: 26160 
    11009 Duplicate atom serial number found: 26162 
    11010 Duplicate atom serial number found: 26164 
    11011 Duplicate atom serial number found: 26166 
    11012 Duplicate atom serial number found: 26168 
    11013 Ignored bad PDB record found on line 88195 
    11014 ATOM 2616a HWS SOL W9073 79.452 -36.908 70.309 1.00 0.00 H 
    11015  
    11016 Ignored bad PDB record found on line 88196 
    11017 ATOM 2616c OWS SOL W9074 89.647 -28.475 78.136 1.00 0.00 O 
    11018  
    11019 Ignored bad PDB record found on line 88197 
    11020 ATOM 2616e HWS SOL W9074 89.775 -29.287 77.645 1.00 0.00 H 
    11021  
    11022 Duplicate atom serial number found: 26170 
    11023 Duplicate atom serial number found: 26172 
    11024 Duplicate atom serial number found: 26174 
    11025 Duplicate atom serial number found: 26176 
    11026 Duplicate atom serial number found: 26178 
    11027 Ignored bad PDB record found on line 88203 
    11028 ATOM 2617a HWS SOL W9076 87.444 -22.782 -75.713 1.00 0.00 H 
    11029  
    11030 Ignored bad PDB record found on line 88204 
    11031 ATOM 2617c HWS SOL W9076 87.649 -21.981 -74.444 1.00 0.00 H 
    11032  
    11033 Ignored bad PDB record found on line 88205 
    11034 ATOM 2617e OWS SOL W9077 82.064 1.659 69.503 1.00 0.00 O 
    11035  
    11036 Duplicate atom serial number found: 26180 
    11037 Duplicate atom serial number found: 26182 
    11038 Duplicate atom serial number found: 26184 
    11039 Duplicate atom serial number found: 26186 
    11040 Duplicate atom serial number found: 26188 
    11041 Ignored bad PDB record found on line 88211 
    11042 ATOM 2618a OWS SOL W9079 -87.880 -55.178 70.193 1.00 0.00 O 
    11043  
    11044 Ignored bad PDB record found on line 88212 
    11045 ATOM 2618c HWS SOL W9079 -87.683 -54.987 71.110 1.00 0.00 H 
    11046  
    11047 Ignored bad PDB record found on line 88213 
    11048 ATOM 2618e HWS SOL W9079 -87.915 -56.133 70.149 1.00 0.00 H 
    11049  
    11050 Duplicate atom serial number found: 26190 
    11051 Duplicate atom serial number found: 26192 
    11052 Duplicate atom serial number found: 26194 
    11053 Duplicate atom serial number found: 26196 
    11054 Duplicate atom serial number found: 26198 
    11055 Ignored bad PDB record found on line 88219 
    11056 ATOM 2619a HWS SOL W9081 -82.541 -15.912 85.850 1.00 0.00 H 
    11057  
    11058 Ignored bad PDB record found on line 88220 
    11059 ATOM 2619c OWS SOL W9082 -86.988 -28.894 66.433 1.00 0.00 O 
    11060  
    11061 Ignored bad PDB record found on line 88221 
    11062 ATOM 2619e HWS SOL W9082 -87.326 -28.082 66.810 1.00 0.00 H 
    11063  
    11064 Ignored bad PDB record found on line 88222 
    11065 ATOM 261a0 HWS SOL W9082 -86.188 -28.633 65.977 1.00 0.00 H 
    11066  
    11067 Ignored bad PDB record found on line 88223 
    11068 ATOM 261a2 OWS SOL W9083 -82.645 -33.101 78.611 1.00 0.00 O 
    11069  
    11070 46 messages similar to the above omitted 
    11071 Duplicate atom serial number found: 26200 
    11072 Duplicate atom serial number found: 26202 
    11073 Duplicate atom serial number found: 26204 
    11074 Duplicate atom serial number found: 26206 
    11075 Duplicate atom serial number found: 26208 
    11076 Ignored bad PDB record found on line 88275 
    11077 ATOM 2620a HWS SOL W9100 -86.844 -36.195 72.643 1.00 0.00 H 
    11078  
    11079 Ignored bad PDB record found on line 88276 
    11080 ATOM 2620c HWS SOL W9100 -85.616 -37.010 72.990 1.00 0.00 H 
    11081  
    11082 Ignored bad PDB record found on line 88277 
    11083 ATOM 2620e OWS SOL W9101 -80.749 -19.832 70.434 1.00 0.00 O 
    11084  
    11085 Duplicate atom serial number found: 26210 
    11086 Duplicate atom serial number found: 26212 
    11087 Duplicate atom serial number found: 26214 
    11088 Duplicate atom serial number found: 26216 
    11089 Duplicate atom serial number found: 26218 
    11090 Ignored bad PDB record found on line 88283 
    11091 ATOM 2621a OWS SOL W9103 -79.277 -44.076 81.989 1.00 0.00 O 
    11092  
    11093 Ignored bad PDB record found on line 88284 
    11094 ATOM 2621c HWS SOL W9103 -78.378 -43.846 82.226 1.00 0.00 H 
    11095  
    11096 Ignored bad PDB record found on line 88285 
    11097 ATOM 2621e HWS SOL W9103 -79.707 -44.255 82.826 1.00 0.00 H 
    11098  
    11099 Duplicate atom serial number found: 26220 
    11100 Duplicate atom serial number found: 26222 
    11101 Duplicate atom serial number found: 26224 
    11102 Duplicate atom serial number found: 26226 
    11103 Duplicate atom serial number found: 26228 
    11104 Ignored bad PDB record found on line 88291 
    11105 ATOM 2622a HWS SOL W9105 -63.330 -30.757 86.139 1.00 0.00 H 
    11106  
    11107 Ignored bad PDB record found on line 88292 
    11108 ATOM 2622c OWS SOL W9106 -83.827 -1.510 84.930 1.00 0.00 O 
    11109  
    11110 Ignored bad PDB record found on line 88293 
    11111 ATOM 2622e HWS SOL W9106 -82.899 -1.711 85.056 1.00 0.00 H 
    11112  
    11113 Duplicate atom serial number found: 26230 
    11114 Duplicate atom serial number found: 26232 
    11115 Duplicate atom serial number found: 26234 
    11116 Duplicate atom serial number found: 26236 
    11117 Duplicate atom serial number found: 26238 
    11118 Ignored bad PDB record found on line 88299 
    11119 ATOM 2623a HWS SOL W9108 71.903 -8.430 -81.290 1.00 0.00 H 
    11120  
    11121 Ignored bad PDB record found on line 88300 
    11122 ATOM 2623c HWS SOL W9108 70.479 -8.201 -80.829 1.00 0.00 H 
    11123  
    11124 Ignored bad PDB record found on line 88301 
    11125 ATOM 2623e OWS SOL W9109 86.932 -36.121 71.327 1.00 0.00 O 
    11126  
    11127 Duplicate atom serial number found: 26240 
    11128 Duplicate atom serial number found: 26242 
    11129 Duplicate atom serial number found: 26244 
    11130 Duplicate atom serial number found: 26246 
    11131 Duplicate atom serial number found: 26248 
    11132 Ignored bad PDB record found on line 88307 
    11133 ATOM 2624a OWS SOL W9111 75.894 -27.756 -89.808 1.00 0.00 O 
    11134  
    11135 Ignored bad PDB record found on line 88308 
    11136 ATOM 2624c HWS SOL W9111 75.499 -27.684 -90.677 1.00 0.00 H 
    11137  
    11138 Ignored bad PDB record found on line 88309 
    11139 ATOM 2624e HWS SOL W9111 75.825 -26.876 -89.439 1.00 0.00 H 
    11140  
    11141 Duplicate atom serial number found: 26250 
    11142 Duplicate atom serial number found: 26252 
    11143 Duplicate atom serial number found: 26254 
    11144 Duplicate atom serial number found: 26256 
    11145 Duplicate atom serial number found: 26258 
    11146 Ignored bad PDB record found on line 88315 
    11147 ATOM 2625a HWS SOL W9113 85.330 -12.579 63.367 1.00 0.00 H 
    11148  
    11149 Ignored bad PDB record found on line 88316 
    11150 ATOM 2625c OWS SOL W9114 -68.842 -40.083 62.163 1.00 0.00 O 
    11151  
    11152 Ignored bad PDB record found on line 88317 
    11153 ATOM 2625e HWS SOL W9114 -68.927 -39.175 62.454 1.00 0.00 H 
    11154  
    11155 Duplicate atom serial number found: 26260 
    11156 Duplicate atom serial number found: 26262 
    11157 Duplicate atom serial number found: 26264 
    11158 Duplicate atom serial number found: 26266 
    11159 Duplicate atom serial number found: 26268 
    11160 Ignored bad PDB record found on line 88323 
    11161 ATOM 2626a HWS SOL W9116 90.471 -36.953 88.950 1.00 0.00 H 
    11162  
    11163 Ignored bad PDB record found on line 88324 
    11164 ATOM 2626c HWS SOL W9116 89.718 -38.221 89.290 1.00 0.00 H 
    11165  
    11166 Ignored bad PDB record found on line 88325 
    11167 ATOM 2626e OWS SOL W9117 87.300 -25.048 58.916 1.00 0.00 O 
    11168  
    11169 Duplicate atom serial number found: 26270 
    11170 Duplicate atom serial number found: 26272 
    11171 Duplicate atom serial number found: 26274 
    11172 Duplicate atom serial number found: 26276 
    11173 Duplicate atom serial number found: 26278 
    11174 Ignored bad PDB record found on line 88331 
    11175 ATOM 2627a OWS SOL W9119 -89.242 -43.055 -73.007 1.00 0.00 O 
    11176  
    11177 Ignored bad PDB record found on line 88332 
    11178 ATOM 2627c HWS SOL W9119 -89.184 -42.900 -73.950 1.00 0.00 H 
    11179  
    11180 Ignored bad PDB record found on line 88333 
    11181 ATOM 2627e HWS SOL W9119 -88.944 -42.237 -72.610 1.00 0.00 H 
    11182  
    11183 Duplicate atom serial number found: 26280 
    11184 Duplicate atom serial number found: 26282 
    11185 Duplicate atom serial number found: 26284 
    11186 Duplicate atom serial number found: 26286 
    11187 Duplicate atom serial number found: 26288 
    11188 Ignored bad PDB record found on line 88339 
    11189 ATOM 2628a HWS SOL W9121 -82.228 -5.654 58.037 1.00 0.00 H 
    11190  
    11191 Ignored bad PDB record found on line 88340 
    11192 ATOM 2628c OWS SOL W9122 71.818 -3.182 83.079 1.00 0.00 O 
    11193  
    11194 Ignored bad PDB record found on line 88341 
    11195 ATOM 2628e HWS SOL W9122 71.721 -2.677 83.887 1.00 0.00 H 
    11196  
    11197 Duplicate atom serial number found: 26290 
    11198 Duplicate atom serial number found: 26292 
    11199 Duplicate atom serial number found: 26294 
    11200 Duplicate atom serial number found: 26296 
    11201 Duplicate atom serial number found: 26298 
    11202 Ignored bad PDB record found on line 88347 
    11203 ATOM 2629a HWS SOL W9124 -85.043 -20.413 76.364 1.00 0.00 H 
    11204  
    11205 Ignored bad PDB record found on line 88348 
    11206 ATOM 2629c HWS SOL W9124 -85.790 -19.204 76.884 1.00 0.00 H 
    11207  
    11208 Ignored bad PDB record found on line 88349 
    11209 ATOM 2629e OWS SOL W9125 80.099 -55.979 88.816 1.00 0.00 O 
    11210  
    11211 Ignored bad PDB record found on line 88350 
    11212 ATOM 262a0 HWS SOL W9125 80.411 -55.709 87.952 1.00 0.00 H 
    11213  
    11214 Ignored bad PDB record found on line 88351 
    11215 ATOM 262a2 HWS SOL W9125 79.983 -55.159 89.296 1.00 0.00 H 
    11216  
    11217 46 messages similar to the above omitted 
    11218 Duplicate atom serial number found: 26300 
    11219 Duplicate atom serial number found: 26302 
    11220 Duplicate atom serial number found: 26304 
    11221 Duplicate atom serial number found: 26306 
    11222 Duplicate atom serial number found: 26308 
    11223 Ignored bad PDB record found on line 88403 
    11224 ATOM 2630a OWS SOL W9143 88.693 -29.733 -76.260 1.00 0.00 O 
    11225  
    11226 Ignored bad PDB record found on line 88404 
    11227 ATOM 2630c HWS SOL W9143 89.056 -30.401 -76.842 1.00 0.00 H 
    11228  
    11229 Ignored bad PDB record found on line 88405 
    11230 ATOM 2630e HWS SOL W9143 88.023 -29.295 -76.786 1.00 0.00 H 
    11231  
    11232 Duplicate atom serial number found: 26310 
    11233 Duplicate atom serial number found: 26312 
    11234 Duplicate atom serial number found: 26314 
    11235 Duplicate atom serial number found: 26316 
    11236 Duplicate atom serial number found: 26318 
    11237 Ignored bad PDB record found on line 88411 
    11238 ATOM 2631a HWS SOL W9145 -74.344 -54.713 -83.819 1.00 0.00 H 
    11239  
    11240 Ignored bad PDB record found on line 88412 
    11241 ATOM 2631c OWS SOL W9146 84.312 -24.138 78.703 1.00 0.00 O 
    11242  
    11243 Ignored bad PDB record found on line 88413 
    11244 ATOM 2631e HWS SOL W9146 85.153 -23.682 78.666 1.00 0.00 H 
    11245  
    11246 Duplicate atom serial number found: 26320 
    11247 Duplicate atom serial number found: 26322 
    11248 Duplicate atom serial number found: 26324 
    11249 Duplicate atom serial number found: 26326 
    11250 Duplicate atom serial number found: 26328 
    11251 Ignored bad PDB record found on line 88419 
    11252 ATOM 2632a HWS SOL W9148 -82.353 -22.363 86.905 1.00 0.00 H 
    11253  
    11254 Ignored bad PDB record found on line 88420 
    11255 ATOM 2632c HWS SOL W9148 -82.886 -23.744 87.224 1.00 0.00 H 
    11256  
    11257 Ignored bad PDB record found on line 88421 
    11258 ATOM 2632e OWS SOL W9149 -72.900 -34.224 73.864 1.00 0.00 O 
    11259  
    11260 Duplicate atom serial number found: 26330 
    11261 Duplicate atom serial number found: 26332 
    11262 Duplicate atom serial number found: 26334 
    11263 Duplicate atom serial number found: 26336 
    11264 Duplicate atom serial number found: 26338 
    11265 Ignored bad PDB record found on line 88427 
    11266 ATOM 2633a OWS SOL W9151 -69.115 -23.780 81.898 1.00 0.00 O 
    11267  
    11268 Ignored bad PDB record found on line 88428 
    11269 ATOM 2633c HWS SOL W9151 -69.644 -23.451 81.171 1.00 0.00 H 
    11270  
    11271 Ignored bad PDB record found on line 88429 
    11272 ATOM 2633e HWS SOL W9151 -69.133 -24.732 81.797 1.00 0.00 H 
    11273  
    11274 Duplicate atom serial number found: 26340 
    11275 Duplicate atom serial number found: 26342 
    11276 Duplicate atom serial number found: 26344 
    11277 Duplicate atom serial number found: 26346 
    11278 Duplicate atom serial number found: 26348 
    11279 Ignored bad PDB record found on line 88435 
    11280 ATOM 2634a HWS SOL W9153 81.608 -5.703 -82.545 1.00 0.00 H 
    11281  
    11282 Ignored bad PDB record found on line 88436 
    11283 ATOM 2634c OWS SOL W9154 81.677 -36.757 -75.388 1.00 0.00 O 
    11284  
    11285 Ignored bad PDB record found on line 88437 
    11286 ATOM 2634e HWS SOL W9154 81.828 -36.068 -76.035 1.00 0.00 H 
    11287  
    11288 Duplicate atom serial number found: 26350 
    11289 Duplicate atom serial number found: 26352 
    11290 Duplicate atom serial number found: 26354 
    11291 Duplicate atom serial number found: 26356 
    11292 Duplicate atom serial number found: 26358 
    11293 Ignored bad PDB record found on line 88443 
    11294 ATOM 2635a HWS SOL W9156 -86.471 -5.884 77.001 1.00 0.00 H 
    11295  
    11296 Ignored bad PDB record found on line 88444 
    11297 ATOM 2635c HWS SOL W9156 -86.978 -7.208 76.470 1.00 0.00 H 
    11298  
    11299 Ignored bad PDB record found on line 88445 
    11300 ATOM 2635e OWS SOL W9157 88.347 -24.945 83.535 1.00 0.00 O 
    11301  
    11302 Duplicate atom serial number found: 26360 
    11303 Duplicate atom serial number found: 26362 
    11304 Duplicate atom serial number found: 26364 
    11305 Duplicate atom serial number found: 26366 
    11306 Duplicate atom serial number found: 26368 
    11307 Ignored bad PDB record found on line 88451 
    11308 ATOM 2636a OWS SOL W9159 -83.235 -25.091 79.688 1.00 0.00 O 
    11309  
    11310 Ignored bad PDB record found on line 88452 
    11311 ATOM 2636c HWS SOL W9159 -83.466 -24.892 80.595 1.00 0.00 H 
    11312  
    11313 Ignored bad PDB record found on line 88453 
    11314 ATOM 2636e HWS SOL W9159 -82.487 -24.523 79.501 1.00 0.00 H 
    11315  
    11316 Duplicate atom serial number found: 26370 
    11317 Duplicate atom serial number found: 26372 
    11318 Duplicate atom serial number found: 26374 
    11319 Duplicate atom serial number found: 26376 
    11320 Duplicate atom serial number found: 26378 
    11321 Ignored bad PDB record found on line 88459 
    11322 ATOM 2637a HWS SOL W9161 88.916 -29.860 -83.659 1.00 0.00 H 
    11323  
    11324 Ignored bad PDB record found on line 88460 
    11325 ATOM 2637c OWS SOL W9162 87.420 -31.840 79.031 1.00 0.00 O 
    11326  
    11327 Ignored bad PDB record found on line 88461 
    11328 ATOM 2637e HWS SOL W9162 86.703 -31.358 79.442 1.00 0.00 H 
    11329  
    11330 Duplicate atom serial number found: 26380 
    11331 Duplicate atom serial number found: 26382 
    11332 Duplicate atom serial number found: 26384 
    11333 Duplicate atom serial number found: 26386 
    11334 Duplicate atom serial number found: 26388 
    11335 Ignored bad PDB record found on line 88467 
    11336 ATOM 2638a HWS SOL W9164 -87.724 -34.564 77.427 1.00 0.00 H 
    11337  
    11338 Ignored bad PDB record found on line 88468 
    11339 ATOM 2638c HWS SOL W9164 -88.621 -35.319 76.470 1.00 0.00 H 
    11340  
    11341 Ignored bad PDB record found on line 88469 
    11342 ATOM 2638e OWS SOL W9165 82.386 -22.583 85.561 1.00 0.00 O 
    11343  
    11344 Duplicate atom serial number found: 26390 
    11345 Duplicate atom serial number found: 26392 
    11346 Duplicate atom serial number found: 26394 
    11347 Duplicate atom serial number found: 26396 
    11348 Duplicate atom serial number found: 26398 
    11349 Ignored bad PDB record found on line 88475 
    11350 ATOM 2639a OWS SOL W9167 89.447 -18.610 72.558 1.00 0.00 O 
    11351  
    11352 Ignored bad PDB record found on line 88476 
    11353 ATOM 2639c HWS SOL W9167 89.759 -17.716 72.700 1.00 0.00 H 
    11354  
    11355 Ignored bad PDB record found on line 88477 
    11356 ATOM 2639e HWS SOL W9167 89.540 -19.035 73.411 1.00 0.00 H 
    11357  
    11358 Ignored bad PDB record found on line 88478 
    11359 ATOM 263a0 OWS SOL W9168 83.405 -26.662 79.539 1.00 0.00 O 
    11360  
    11361 Ignored bad PDB record found on line 88479 
    11362 ATOM 263a2 HWS SOL W9168 83.639 -25.781 79.832 1.00 0.00 H 
    11363  
    11364 46 messages similar to the above omitted 
    11365 Duplicate atom serial number found: 26400 
    11366 Duplicate atom serial number found: 26402 
    11367 Duplicate atom serial number found: 26404 
    11368 Duplicate atom serial number found: 26406 
    11369 Duplicate atom serial number found: 26408 
    11370 Ignored bad PDB record found on line 88531 
    11371 ATOM 2640a HWS SOL W9185 -73.461 -29.828 -89.216 1.00 0.00 H 
    11372  
    11373 Ignored bad PDB record found on line 88532 
    11374 ATOM 2640c OWS SOL W9186 -88.216 -41.387 86.996 1.00 0.00 O 
    11375  
    11376 Ignored bad PDB record found on line 88533 
    11377 ATOM 2640e HWS SOL W9186 -87.271 -41.416 86.851 1.00 0.00 H 
    11378  
    11379 Duplicate atom serial number found: 26410 
    11380 Duplicate atom serial number found: 26412 
    11381 Duplicate atom serial number found: 26414 
    11382 Duplicate atom serial number found: 26416 
    11383 Duplicate atom serial number found: 26418 
    11384 Ignored bad PDB record found on line 88539 
    11385 ATOM 2641a HWS SOL W9188 81.664 -30.045 80.256 1.00 0.00 H 
    11386  
    11387 Ignored bad PDB record found on line 88540 
    11388 ATOM 2641c HWS SOL W9188 83.004 -29.345 80.322 1.00 0.00 H 
    11389  
    11390 Ignored bad PDB record found on line 88541 
    11391 ATOM 2641e OWS SOL W9189 -82.440 -17.489 88.529 1.00 0.00 O 
    11392  
    11393 Duplicate atom serial number found: 26420 
    11394 Duplicate atom serial number found: 26422 
    11395 Duplicate atom serial number found: 26424 
    11396 Duplicate atom serial number found: 26426 
    11397 Duplicate atom serial number found: 26428 
    11398 Ignored bad PDB record found on line 88547 
    11399 ATOM 2642a OWS SOL W9191 -56.629 -27.507 82.369 1.00 0.00 O 
    11400  
    11401 Ignored bad PDB record found on line 88548 
    11402 ATOM 2642c HWS SOL W9191 -56.695 -28.087 81.610 1.00 0.00 H 
    11403  
    11404 Ignored bad PDB record found on line 88549 
    11405 ATOM 2642e HWS SOL W9191 -56.042 -26.807 82.086 1.00 0.00 H 
    11406  
    11407 Duplicate atom serial number found: 26430 
    11408 Duplicate atom serial number found: 26432 
    11409 Duplicate atom serial number found: 26434 
    11410 Duplicate atom serial number found: 26436 
    11411 Duplicate atom serial number found: 26438 
    11412 Ignored bad PDB record found on line 88555 
    11413 ATOM 2643a HWS SOL W9193 75.366 10.615 -85.578 1.00 0.00 H 
    11414  
    11415 Ignored bad PDB record found on line 88556 
    11416 ATOM 2643c OWS SOL W9194 -70.694 -1.447 -79.860 1.00 0.00 O 
    11417  
    11418 Ignored bad PDB record found on line 88557 
    11419 ATOM 2643e HWS SOL W9194 -71.210 -0.709 -80.185 1.00 0.00 H 
    11420  
    11421 Duplicate atom serial number found: 26440 
    11422 Duplicate atom serial number found: 26442 
    11423 Duplicate atom serial number found: 26444 
    11424 Duplicate atom serial number found: 26446 
    11425 Duplicate atom serial number found: 26448 
    11426 Ignored bad PDB record found on line 88563 
    11427 ATOM 2644a HWS SOL W9196 -84.483 9.004 -88.555 1.00 0.00 H 
    11428  
    11429 Ignored bad PDB record found on line 88564 
    11430 ATOM 2644c HWS SOL W9196 -83.362 8.254 -87.867 1.00 0.00 H 
    11431  
    11432 Ignored bad PDB record found on line 88565 
    11433 ATOM 2644e OWS SOL W9197 -83.093 -2.066 -82.251 1.00 0.00 O 
    11434  
    11435 Duplicate atom serial number found: 26450 
    11436 Duplicate atom serial number found: 26452 
    11437 Duplicate atom serial number found: 26454 
    11438 Duplicate atom serial number found: 26456 
    11439 Duplicate atom serial number found: 26458 
    11440 Ignored bad PDB record found on line 88571 
    11441 ATOM 2645a OWS SOL W9199 -75.918 -0.074 -56.618 1.00 0.00 O 
    11442  
    11443 Ignored bad PDB record found on line 88572 
    11444 ATOM 2645c HWS SOL W9199 -74.966 0.023 -56.641 1.00 0.00 H 
    11445  
    11446 Ignored bad PDB record found on line 88573 
    11447 ATOM 2645e HWS SOL W9199 -76.248 0.689 -57.093 1.00 0.00 H 
    11448  
    11449 Duplicate atom serial number found: 26460 
    11450 Duplicate atom serial number found: 26462 
    11451 Duplicate atom serial number found: 26464 
    11452 Duplicate atom serial number found: 26466 
    11453 Duplicate atom serial number found: 26468 
    11454 Ignored bad PDB record found on line 88579 
    11455 ATOM 2646a HWS SOL W9201 -68.832 -6.327 84.952 1.00 0.00 H 
    11456  
    11457 Ignored bad PDB record found on line 88580 
    11458 ATOM 2646c OWS SOL W9202 -77.513 -10.060 -67.494 1.00 0.00 O 
    11459  
    11460 Ignored bad PDB record found on line 88581 
    11461 ATOM 2646e HWS SOL W9202 -77.650 -10.509 -66.659 1.00 0.00 H 
    11462  
    11463 Duplicate atom serial number found: 26470 
    11464 Duplicate atom serial number found: 26472 
    11465 Duplicate atom serial number found: 26474 
    11466 Duplicate atom serial number found: 26476 
    11467 Duplicate atom serial number found: 26478 
    11468 Ignored bad PDB record found on line 88587 
    11469 ATOM 2647a HWS SOL W9204 71.272 3.564 -72.151 1.00 0.00 H 
    11470  
    11471 Ignored bad PDB record found on line 88588 
    11472 ATOM 2647c HWS SOL W9204 70.926 4.155 -73.501 1.00 0.00 H 
    11473  
    11474 Ignored bad PDB record found on line 88589 
    11475 ATOM 2647e OWS SOL W9205 -65.324 20.117 -82.544 1.00 0.00 O 
    11476  
    11477 Duplicate atom serial number found: 26480 
    11478 Duplicate atom serial number found: 26482 
    11479 Duplicate atom serial number found: 26484 
    11480 Duplicate atom serial number found: 26486 
    11481 Duplicate atom serial number found: 26488 
    11482 Ignored bad PDB record found on line 88595 
    11483 ATOM 2648a OWS SOL W9207 -70.681 6.542 82.928 1.00 0.00 O 
    11484  
    11485 Ignored bad PDB record found on line 88596 
    11486 ATOM 2648c HWS SOL W9207 -71.032 5.790 82.451 1.00 0.00 H 
    11487  
    11488 Ignored bad PDB record found on line 88597 
    11489 ATOM 2648e HWS SOL W9207 -70.586 7.224 82.264 1.00 0.00 H 
    11490  
    11491 Duplicate atom serial number found: 26490 
    11492 Duplicate atom serial number found: 26492 
    11493 Duplicate atom serial number found: 26494 
    11494 Duplicate atom serial number found: 26496 
    11495 Duplicate atom serial number found: 26498 
    11496 Ignored bad PDB record found on line 88603 
    11497 ATOM 2649a HWS SOL W9209 -89.741 0.252 81.961 1.00 0.00 H 
    11498  
    11499 Ignored bad PDB record found on line 88604 
    11500 ATOM 2649c OWS SOL W9210 -87.703 -15.236 -57.056 1.00 0.00 O 
    11501  
    11502 Ignored bad PDB record found on line 88605 
    11503 ATOM 2649e HWS SOL W9210 -87.623 -15.862 -57.776 1.00 0.00 H 
    11504  
    11505 Ignored bad PDB record found on line 88606 
    11506 ATOM 264a0 HWS SOL W9210 -87.166 -14.491 -57.325 1.00 0.00 H 
    11507  
    11508 Ignored bad PDB record found on line 88607 
    11509 ATOM 264a2 OWS SOL W9211 80.960 -16.960 -69.809 1.00 0.00 O 
    11510  
    11511 46 messages similar to the above omitted 
    11512 Duplicate atom serial number found: 26500 
    11513 Duplicate atom serial number found: 26502 
    11514 Duplicate atom serial number found: 26504 
    11515 Duplicate atom serial number found: 26506 
    11516 Duplicate atom serial number found: 26508 
    11517 Ignored bad PDB record found on line 88659 
    11518 ATOM 2650a HWS SOL W9228 80.881 0.245 76.847 1.00 0.00 H 
    11519  
    11520 Ignored bad PDB record found on line 88660 
    11521 ATOM 2650c HWS SOL W9228 81.320 0.578 78.257 1.00 0.00 H 
    11522  
    11523 Ignored bad PDB record found on line 88661 
    11524 ATOM 2650e OWS SOL W9229 -72.388 -14.046 88.069 1.00 0.00 O 
    11525  
    11526 Duplicate atom serial number found: 26510 
    11527 Duplicate atom serial number found: 26512 
    11528 Duplicate atom serial number found: 26514 
    11529 Duplicate atom serial number found: 26516 
    11530 Duplicate atom serial number found: 26518 
    11531 Ignored bad PDB record found on line 88667 
    11532 ATOM 2651a OWS SOL W9231 -81.986 5.373 -66.406 1.00 0.00 O 
    11533  
    11534 Ignored bad PDB record found on line 88668 
    11535 ATOM 2651c HWS SOL W9231 -82.924 5.187 -66.396 1.00 0.00 H 
    11536  
    11537 Ignored bad PDB record found on line 88669 
    11538 ATOM 2651e HWS SOL W9231 -81.824 5.747 -67.272 1.00 0.00 H 
    11539  
    11540 Duplicate atom serial number found: 26520 
    11541 Duplicate atom serial number found: 26522 
    11542 Duplicate atom serial number found: 26524 
    11543 Duplicate atom serial number found: 26526 
    11544 Duplicate atom serial number found: 26528 
    11545 Ignored bad PDB record found on line 88675 
    11546 ATOM 2652a HWS SOL W9233 -86.387 -24.768 -72.335 1.00 0.00 H 
    11547  
    11548 Ignored bad PDB record found on line 88676 
    11549 ATOM 2652c OWS SOL W9234 -81.450 17.947 -75.848 1.00 0.00 O 
    11550  
    11551 Ignored bad PDB record found on line 88677 
    11552 ATOM 2652e HWS SOL W9234 -82.138 17.650 -76.444 1.00 0.00 H 
    11553  
    11554 Duplicate atom serial number found: 26530 
    11555 Duplicate atom serial number found: 26532 
    11556 Duplicate atom serial number found: 26534 
    11557 Duplicate atom serial number found: 26536 
    11558 Duplicate atom serial number found: 26538 
    11559 Ignored bad PDB record found on line 88683 
    11560 ATOM 2653a HWS SOL W9236 -67.507 12.941 -87.227 1.00 0.00 H 
    11561  
    11562 Ignored bad PDB record found on line 88684 
    11563 ATOM 2653c HWS SOL W9236 -68.844 13.320 -87.827 1.00 0.00 H 
    11564  
    11565 Ignored bad PDB record found on line 88685 
    11566 ATOM 2653e OWS SOL W9237 88.739 26.126 86.482 1.00 0.00 O 
    11567  
    11568 Duplicate atom serial number found: 26540 
    11569 Duplicate atom serial number found: 26542 
    11570 Duplicate atom serial number found: 26544 
    11571 Duplicate atom serial number found: 26546 
    11572 Duplicate atom serial number found: 26548 
    11573 Ignored bad PDB record found on line 88691 
    11574 ATOM 2654a OWS SOL W9239 -72.010 5.365 -46.215 1.00 0.00 O 
    11575  
    11576 Ignored bad PDB record found on line 88692 
    11577 ATOM 2654c HWS SOL W9239 -72.272 6.012 -46.870 1.00 0.00 H 
    11578  
    11579 Ignored bad PDB record found on line 88693 
    11580 ATOM 2654e HWS SOL W9239 -72.649 4.659 -46.307 1.00 0.00 H 
    11581  
    11582 Duplicate atom serial number found: 26550 
    11583 Duplicate atom serial number found: 26552 
    11584 Duplicate atom serial number found: 26554 
    11585 Duplicate atom serial number found: 26556 
    11586 Duplicate atom serial number found: 26558 
    11587 Ignored bad PDB record found on line 88699 
    11588 ATOM 2655a HWS SOL W9241 -81.618 14.982 -74.836 1.00 0.00 H 
    11589  
    11590 Ignored bad PDB record found on line 88700 
    11591 ATOM 2655c OWS SOL W9243 -81.848 19.936 -57.085 1.00 0.00 O 
    11592  
    11593 Ignored bad PDB record found on line 88701 
    11594 ATOM 2655e HWS SOL W9243 -81.289 19.298 -57.529 1.00 0.00 H 
    11595  
    11596 Duplicate atom serial number found: 26560 
    11597 Duplicate atom serial number found: 26562 
    11598 Duplicate atom serial number found: 26564 
    11599 Duplicate atom serial number found: 26566 
    11600 Duplicate atom serial number found: 26568 
    11601 Ignored bad PDB record found on line 88707 
    11602 ATOM 2656a HWS SOL W9245 -90.423 -18.819 -78.739 1.00 0.00 H 
    11603  
    11604 Ignored bad PDB record found on line 88708 
    11605 ATOM 2656c HWS SOL W9245 -89.276 -18.872 -79.725 1.00 0.00 H 
    11606  
    11607 Ignored bad PDB record found on line 88709 
    11608 ATOM 2656e OWS SOL W9246 85.834 3.844 -78.655 1.00 0.00 O 
    11609  
    11610 Duplicate atom serial number found: 26570 
    11611 Duplicate atom serial number found: 26572 
    11612 Duplicate atom serial number found: 26574 
    11613 Duplicate atom serial number found: 26576 
    11614 Duplicate atom serial number found: 26578 
    11615 Ignored bad PDB record found on line 88715 
    11616 ATOM 2657a OWS SOL W9248 72.577 -15.427 -74.856 1.00 0.00 O 
    11617  
    11618 Ignored bad PDB record found on line 88716 
    11619 ATOM 2657c HWS SOL W9248 73.296 -15.159 -75.428 1.00 0.00 H 
    11620  
    11621 Ignored bad PDB record found on line 88717 
    11622 ATOM 2657e HWS SOL W9248 72.484 -14.706 -74.233 1.00 0.00 H 
    11623  
    11624 Duplicate atom serial number found: 26580 
    11625 Duplicate atom serial number found: 26582 
    11626 Duplicate atom serial number found: 26584 
    11627 Duplicate atom serial number found: 26586 
    11628 Duplicate atom serial number found: 26588 
    11629 Ignored bad PDB record found on line 88723 
    11630 ATOM 2658a HWS SOL W9250 89.592 -12.416 -72.634 1.00 0.00 H 
    11631  
    11632 Ignored bad PDB record found on line 88724 
    11633 ATOM 2658c OWS SOL W9251 81.543 -8.018 -74.384 1.00 0.00 O 
    11634  
    11635 Ignored bad PDB record found on line 88725 
    11636 ATOM 2658e HWS SOL W9251 80.653 -7.884 -74.711 1.00 0.00 H 
    11637  
    11638 Duplicate atom serial number found: 26590 
    11639 Duplicate atom serial number found: 26592 
    11640 Duplicate atom serial number found: 26594 
    11641 Duplicate atom serial number found: 26596 
    11642 Duplicate atom serial number found: 26598 
    11643 Ignored bad PDB record found on line 88731 
    11644 ATOM 2659a HWS SOL W9253 -87.080 -5.939 79.946 1.00 0.00 H 
    11645  
    11646 Ignored bad PDB record found on line 88732 
    11647 ATOM 2659c HWS SOL W9253 -85.590 -5.691 80.049 1.00 0.00 H 
    11648  
    11649 Ignored bad PDB record found on line 88733 
    11650 ATOM 2659e OWS SOL W9254 83.338 -2.820 -74.815 1.00 0.00 O 
    11651  
    11652 Ignored bad PDB record found on line 88734 
    11653 ATOM 265a0 HWS SOL W9254 83.414 -3.739 -74.560 1.00 0.00 H 
    11654  
    11655 Ignored bad PDB record found on line 88735 
    11656 ATOM 265a2 HWS SOL W9254 82.414 -2.609 -74.682 1.00 0.00 H 
    11657  
    11658 46 messages similar to the above omitted 
    11659 Duplicate atom serial number found: 26600 
    11660 Duplicate atom serial number found: 26602 
    11661 Duplicate atom serial number found: 26604 
    11662 Duplicate atom serial number found: 26606 
    11663 Duplicate atom serial number found: 26608 
    11664 Ignored bad PDB record found on line 88787 
    11665 ATOM 2660a OWS SOL W9272 -82.256 -2.433 89.515 1.00 0.00 O 
    11666  
    11667 Ignored bad PDB record found on line 88788 
    11668 ATOM 2660c HWS SOL W9272 -81.557 -2.942 89.103 1.00 0.00 H 
    11669  
    11670 Ignored bad PDB record found on line 88789 
    11671 ATOM 2660e HWS SOL W9272 -82.609 -1.894 88.808 1.00 0.00 H 
    11672  
    11673 Duplicate atom serial number found: 26610 
    11674 Duplicate atom serial number found: 26612 
    11675 Duplicate atom serial number found: 26614 
    11676 Duplicate atom serial number found: 26616 
    11677 Duplicate atom serial number found: 26618 
    11678 Ignored bad PDB record found on line 88795 
    11679 ATOM 2661a HWS SOL W9274 -57.927 -3.368 -77.263 1.00 0.00 H 
    11680  
    11681 Ignored bad PDB record found on line 88796 
    11682 ATOM 2661c OWS SOL W9275 -84.853 -3.609 -72.833 1.00 0.00 O 
    11683  
    11684 Ignored bad PDB record found on line 88797 
    11685 ATOM 2661e HWS SOL W9275 -85.333 -3.057 -72.216 1.00 0.00 H 
    11686  
    11687 Duplicate atom serial number found: 26620 
    11688 Duplicate atom serial number found: 26622 
    11689 Duplicate atom serial number found: 26624 
    11690 Duplicate atom serial number found: 26626 
    11691 Duplicate atom serial number found: 26628 
    11692 Ignored bad PDB record found on line 88803 
    11693 ATOM 2662a HWS SOL W9277 -80.787 -14.683 89.393 1.00 0.00 H 
    11694  
    11695 Ignored bad PDB record found on line 88804 
    11696 ATOM 2662c HWS SOL W9277 -81.953 -14.641 88.429 1.00 0.00 H 
    11697  
    11698 Ignored bad PDB record found on line 88805 
    11699 ATOM 2662e OWS SOL W9278 75.976 -7.351 -52.149 1.00 0.00 O 
    11700  
    11701 Duplicate atom serial number found: 26630 
    11702 Duplicate atom serial number found: 26632 
    11703 Duplicate atom serial number found: 26634 
    11704 Duplicate atom serial number found: 26636 
    11705 Duplicate atom serial number found: 26638 
    11706 Ignored bad PDB record found on line 88811 
    11707 ATOM 2663a OWS SOL W9280 88.213 2.506 -65.344 1.00 0.00 O 
    11708  
    11709 Ignored bad PDB record found on line 88812 
    11710 ATOM 2663c HWS SOL W9280 88.794 3.267 -65.326 1.00 0.00 H 
    11711  
    11712 Ignored bad PDB record found on line 88813 
    11713 ATOM 2663e HWS SOL W9280 88.014 2.378 -66.271 1.00 0.00 H 
    11714  
    11715 Duplicate atom serial number found: 26640 
    11716 Duplicate atom serial number found: 26642 
    11717 Duplicate atom serial number found: 26644 
    11718 Duplicate atom serial number found: 26646 
    11719 Duplicate atom serial number found: 26648 
    11720 Ignored bad PDB record found on line 88819 
    11721 ATOM 2664a HWS SOL W9282 85.920 19.387 -70.649 1.00 0.00 H 
    11722  
    11723 Ignored bad PDB record found on line 88820 
    11724 ATOM 2664c OWS SOL W9283 -86.748 12.070 -68.691 1.00 0.00 O 
    11725  
    11726 Ignored bad PDB record found on line 88821 
    11727 ATOM 2664e HWS SOL W9283 -86.342 12.923 -68.536 1.00 0.00 H 
    11728  
    11729 Duplicate atom serial number found: 26650 
    11730 Duplicate atom serial number found: 26652 
    11731 Duplicate atom serial number found: 26654 
    11732 Duplicate atom serial number found: 26656 
    11733 Duplicate atom serial number found: 26658 
    11734 Ignored bad PDB record found on line 88827 
    11735 ATOM 2665a HWS SOL W9285 -76.698 -1.807 -68.739 1.00 0.00 H 
    11736  
    11737 Ignored bad PDB record found on line 88828 
    11738 ATOM 2665c HWS SOL W9285 -77.320 -2.478 -69.946 1.00 0.00 H 
    11739  
    11740 Ignored bad PDB record found on line 88829 
    11741 ATOM 2665e OWS SOL W9286 78.257 -26.302 -75.245 1.00 0.00 O 
    11742  
    11743 Duplicate atom serial number found: 26660 
    11744 Duplicate atom serial number found: 26662 
    11745 Duplicate atom serial number found: 26664 
    11746 Duplicate atom serial number found: 26666 
    11747 Duplicate atom serial number found: 26668 
    11748 Ignored bad PDB record found on line 88835 
    11749 ATOM 2666a OWS SOL W9288 -71.613 13.923 -63.209 1.00 0.00 O 
    11750  
    11751 Ignored bad PDB record found on line 88836 
    11752 ATOM 2666c HWS SOL W9288 -72.495 13.627 -62.984 1.00 0.00 H 
    11753  
    11754 Ignored bad PDB record found on line 88837 
    11755 ATOM 2666e HWS SOL W9288 -71.036 13.237 -62.873 1.00 0.00 H 
    11756  
    11757 Duplicate atom serial number found: 26670 
    11758 Duplicate atom serial number found: 26672 
    11759 Duplicate atom serial number found: 26674 
    11760 Duplicate atom serial number found: 26676 
    11761 Duplicate atom serial number found: 26678 
    11762 Ignored bad PDB record found on line 88843 
    11763 ATOM 2667a HWS SOL W9290 80.707 13.489 -75.381 1.00 0.00 H 
    11764  
    11765 Ignored bad PDB record found on line 88844 
    11766 ATOM 2667c OWS SOL W9291 -81.024 -5.881 79.543 1.00 0.00 O 
    11767  
    11768 Ignored bad PDB record found on line 88845 
    11769 ATOM 2667e HWS SOL W9291 -81.742 -6.511 79.609 1.00 0.00 H 
    11770  
    11771 Duplicate atom serial number found: 26680 
    11772 Duplicate atom serial number found: 26682 
    11773 Duplicate atom serial number found: 26684 
    11774 Duplicate atom serial number found: 26686 
    11775 Duplicate atom serial number found: 26688 
    11776 Ignored bad PDB record found on line 88851 
    11777 ATOM 2668a HWS SOL W9293 87.699 36.122 -85.771 1.00 0.00 H 
    11778  
    11779 Ignored bad PDB record found on line 88852 
    11780 ATOM 2668c HWS SOL W9293 87.606 35.981 -87.275 1.00 0.00 H 
    11781  
    11782 Ignored bad PDB record found on line 88853 
    11783 ATOM 2668e OWS SOL W9294 -81.875 15.561 -80.459 1.00 0.00 O 
    11784  
    11785 Duplicate atom serial number found: 26690 
    11786 Duplicate atom serial number found: 26692 
    11787 Duplicate atom serial number found: 26694 
    11788 Duplicate atom serial number found: 26696 
    11789 Duplicate atom serial number found: 26698 
    11790 Ignored bad PDB record found on line 88859 
    11791 ATOM 2669a OWS SOL W9296 81.261 -19.715 -64.430 1.00 0.00 O 
    11792  
    11793 Ignored bad PDB record found on line 88860 
    11794 ATOM 2669c HWS SOL W9296 80.604 -19.349 -65.022 1.00 0.00 H 
    11795  
    11796 Ignored bad PDB record found on line 88861 
    11797 ATOM 2669e HWS SOL W9296 81.292 -20.645 -64.652 1.00 0.00 H 
    11798  
    11799 Ignored bad PDB record found on line 88862 
    11800 ATOM 266a0 OWS SOL W9297 -50.840 18.762 -76.071 1.00 0.00 O 
    11801  
    11802 Ignored bad PDB record found on line 88863 
    11803 ATOM 266a2 HWS SOL W9297 -51.457 18.423 -75.422 1.00 0.00 H 
    11804  
    11805 46 messages similar to the above omitted 
    11806 Duplicate atom serial number found: 26700 
    11807 Duplicate atom serial number found: 26702 
    11808 Duplicate atom serial number found: 26704 
    11809 Duplicate atom serial number found: 26706 
    11810 Duplicate atom serial number found: 26708 
    11811 Ignored bad PDB record found on line 88915 
    11812 ATOM 2670a HWS SOL W9314 -75.829 0.596 -68.763 1.00 0.00 H 
    11813  
    11814 Ignored bad PDB record found on line 88916 
    11815 ATOM 2670c OWS SOL W9315 89.986 -4.511 82.071 1.00 0.00 O 
    11816  
    11817 Ignored bad PDB record found on line 88917 
    11818 ATOM 2670e HWS SOL W9315 90.017 -4.317 81.134 1.00 0.00 H 
    11819  
    11820 Duplicate atom serial number found: 26710 
    11821 Duplicate atom serial number found: 26712 
    11822 Duplicate atom serial number found: 26714 
    11823 Duplicate atom serial number found: 26716 
    11824 Duplicate atom serial number found: 26718 
    11825 Ignored bad PDB record found on line 88923 
    11826 ATOM 2671a HWS SOL W9317 -77.601 -13.789 -59.844 1.00 0.00 H 
    11827  
    11828 Ignored bad PDB record found on line 88924 
    11829 ATOM 2671c HWS SOL W9317 -78.055 -13.314 -58.480 1.00 0.00 H 
    11830  
    11831 Ignored bad PDB record found on line 88925 
    11832 ATOM 2671e OWS SOL W9318 -60.179 -6.658 -87.458 1.00 0.00 O 
    11833  
    11834 Duplicate atom serial number found: 26720 
    11835 Duplicate atom serial number found: 26722 
    11836 Duplicate atom serial number found: 26724 
    11837 Duplicate atom serial number found: 26726 
    11838 Duplicate atom serial number found: 26728 
    11839 Ignored bad PDB record found on line 88931 
    11840 ATOM 2672a OWS SOL W9320 -74.765 -14.808 82.270 1.00 0.00 O 
    11841  
    11842 Ignored bad PDB record found on line 88932 
    11843 ATOM 2672c HWS SOL W9320 -74.426 -15.455 82.890 1.00 0.00 H 
    11844  
    11845 Ignored bad PDB record found on line 88933 
    11846 ATOM 2672e HWS SOL W9320 -74.024 -14.615 81.696 1.00 0.00 H 
    11847  
    11848 Duplicate atom serial number found: 26730 
    11849 Duplicate atom serial number found: 26732 
    11850 Duplicate atom serial number found: 26734 
    11851 Duplicate atom serial number found: 26736 
    11852 Duplicate atom serial number found: 26738 
    11853 Ignored bad PDB record found on line 88939 
    11854 ATOM 2673a HWS SOL W9322 -82.973 4.726 76.276 1.00 0.00 H 
    11855  
    11856 Ignored bad PDB record found on line 88940 
    11857 ATOM 2673c OWS SOL W9323 88.471 12.078 -84.712 1.00 0.00 O 
    11858  
    11859 Ignored bad PDB record found on line 88941 
    11860 ATOM 2673e HWS SOL W9323 87.653 12.373 -85.112 1.00 0.00 H 
    11861  
    11862 Duplicate atom serial number found: 26740 
    11863 Duplicate atom serial number found: 26742 
    11864 Duplicate atom serial number found: 26744 
    11865 Duplicate atom serial number found: 26746 
    11866 Duplicate atom serial number found: 26748 
    11867 Ignored bad PDB record found on line 88947 
    11868 ATOM 2674a HWS SOL W9325 -87.060 -2.545 -80.455 1.00 0.00 H 
    11869  
    11870 Ignored bad PDB record found on line 88948 
    11871 ATOM 2674c HWS SOL W9325 -86.130 -3.644 -79.986 1.00 0.00 H 
    11872  
    11873 Ignored bad PDB record found on line 88949 
    11874 ATOM 2674e OWS SOL W9326 87.798 11.422 77.796 1.00 0.00 O 
    11875  
    11876 Duplicate atom serial number found: 26750 
    11877 Duplicate atom serial number found: 26752 
    11878 Duplicate atom serial number found: 26754 
    11879 Duplicate atom serial number found: 26756 
    11880 Duplicate atom serial number found: 26758 
    11881 Ignored bad PDB record found on line 88955 
    11882 ATOM 2675a OWS SOL W9328 79.576 30.869 89.288 1.00 0.00 O 
    11883  
    11884 Ignored bad PDB record found on line 88956 
    11885 ATOM 2675c HWS SOL W9328 79.513 30.784 90.240 1.00 0.00 H 
    11886  
    11887 Ignored bad PDB record found on line 88957 
    11888 ATOM 2675e HWS SOL W9328 80.216 30.206 89.030 1.00 0.00 H 
    11889  
    11890 Duplicate atom serial number found: 26760 
    11891 Duplicate atom serial number found: 26762 
    11892 Duplicate atom serial number found: 26764 
    11893 Duplicate atom serial number found: 26766 
    11894 Duplicate atom serial number found: 26768 
    11895 Ignored bad PDB record found on line 88963 
    11896 ATOM 2676a HWS SOL W9330 -88.057 -16.830 -72.206 1.00 0.00 H 
    11897  
    11898 Ignored bad PDB record found on line 88964 
    11899 ATOM 2676c OWS SOL W9331 -81.555 8.142 -88.884 1.00 0.00 O 
    11900  
    11901 Ignored bad PDB record found on line 88965 
    11902 ATOM 2676e HWS SOL W9331 -81.181 7.263 -88.821 1.00 0.00 H 
    11903  
    11904 Duplicate atom serial number found: 26770 
    11905 Duplicate atom serial number found: 26772 
    11906 Duplicate atom serial number found: 26774 
    11907 Duplicate atom serial number found: 26776 
    11908 Duplicate atom serial number found: 26778 
    11909 Ignored bad PDB record found on line 88971 
    11910 ATOM 2677a HWS SOL W9333 -90.296 -7.679 -69.837 1.00 0.00 H 
    11911  
    11912 Ignored bad PDB record found on line 88972 
    11913 ATOM 2677c HWS SOL W9333 -89.337 -7.898 -68.686 1.00 0.00 H 
    11914  
    11915 Ignored bad PDB record found on line 88973 
    11916 ATOM 2677e OWS SOL W9334 87.055 -31.932 -63.319 1.00 0.00 O 
    11917  
    11918 Duplicate atom serial number found: 26780 
    11919 Duplicate atom serial number found: 26782 
    11920 Duplicate atom serial number found: 26784 
    11921 Duplicate atom serial number found: 26786 
    11922 Duplicate atom serial number found: 26788 
    11923 Ignored bad PDB record found on line 88979 
    11924 ATOM 2678a OWS SOL W9336 -79.808 -3.075 -74.635 1.00 0.00 O 
    11925  
    11926 Ignored bad PDB record found on line 88980 
    11927 ATOM 2678c HWS SOL W9336 -80.061 -2.199 -74.928 1.00 0.00 H 
    11928  
    11929 Ignored bad PDB record found on line 88981 
    11930 ATOM 2678e HWS SOL W9336 -80.616 -3.453 -74.286 1.00 0.00 H 
    11931  
    11932 Duplicate atom serial number found: 26790 
    11933 Duplicate atom serial number found: 26792 
    11934 Duplicate atom serial number found: 26794 
    11935 Duplicate atom serial number found: 26796 
    11936 Duplicate atom serial number found: 26798 
    11937 Ignored bad PDB record found on line 88987 
    11938 ATOM 2679a HWS SOL W9338 74.892 -6.240 -77.257 1.00 0.00 H 
    11939  
    11940 Ignored bad PDB record found on line 88988 
    11941 ATOM 2679c OWS SOL W9339 -58.217 13.763 -69.628 1.00 0.00 O 
    11942  
    11943 Ignored bad PDB record found on line 88989 
    11944 ATOM 2679e HWS SOL W9339 -58.092 14.711 -69.670 1.00 0.00 H 
    11945  
    11946 Ignored bad PDB record found on line 88990 
    11947 ATOM 267a0 HWS SOL W9339 -59.040 13.650 -69.153 1.00 0.00 H 
    11948  
    11949 Ignored bad PDB record found on line 88991 
    11950 ATOM 267a2 OWS SOL W9340 78.410 24.080 -73.685 1.00 0.00 O 
    11951  
    11952 46 messages similar to the above omitted 
    11953 Duplicate atom serial number found: 26800 
    11954 Duplicate atom serial number found: 26802 
    11955 Duplicate atom serial number found: 26804 
    11956 Duplicate atom serial number found: 26806 
    11957 Duplicate atom serial number found: 26808 
    11958 Ignored bad PDB record found on line 89043 
    11959 ATOM 2680a HWS SOL W9357 -85.512 0.295 -88.517 1.00 0.00 H 
    11960  
    11961 Ignored bad PDB record found on line 89044 
    11962 ATOM 2680c HWS SOL W9357 -85.358 0.183 -87.015 1.00 0.00 H 
    11963  
    11964 Ignored bad PDB record found on line 89045 
    11965 ATOM 2680e OWS SOL W9358 -87.769 -9.915 -80.316 1.00 0.00 O 
    11966  
    11967 Duplicate atom serial number found: 26810 
    11968 Duplicate atom serial number found: 26812 
    11969 Duplicate atom serial number found: 26814 
    11970 Duplicate atom serial number found: 26816 
    11971 Duplicate atom serial number found: 26818 
    11972 Ignored bad PDB record found on line 89051 
    11973 ATOM 2681a OWS SOL W9360 -88.057 -1.061 -84.030 1.00 0.00 O 
    11974  
    11975 Ignored bad PDB record found on line 89052 
    11976 ATOM 2681c HWS SOL W9360 -88.669 -0.476 -84.478 1.00 0.00 H 
    11977  
    11978 Ignored bad PDB record found on line 89053 
    11979 ATOM 2681e HWS SOL W9360 -87.348 -0.489 -83.738 1.00 0.00 H 
    11980  
    11981 Duplicate atom serial number found: 26820 
    11982 Duplicate atom serial number found: 26822 
    11983 Duplicate atom serial number found: 26824 
    11984 Duplicate atom serial number found: 26826 
    11985 Duplicate atom serial number found: 26828 
    11986 Ignored bad PDB record found on line 89059 
    11987 ATOM 2682a HWS SOL W9362 83.672 11.648 -86.893 1.00 0.00 H 
    11988  
    11989 Ignored bad PDB record found on line 89060 
    11990 ATOM 2682c OWS SOL W9363 -88.588 -2.470 -89.751 1.00 0.00 O 
    11991  
    11992 Ignored bad PDB record found on line 89061 
    11993 ATOM 2682e HWS SOL W9363 -88.049 -2.865 -89.065 1.00 0.00 H 
    11994  
    11995 Duplicate atom serial number found: 26830 
    11996 Duplicate atom serial number found: 26832 
    11997 Duplicate atom serial number found: 26834 
    11998 Duplicate atom serial number found: 26836 
    11999 Duplicate atom serial number found: 26838 
    12000 Ignored bad PDB record found on line 89067 
    12001 ATOM 2683a HWS SOL W9365 -72.654 25.200 -80.552 1.00 0.00 H 
    12002  
    12003 Ignored bad PDB record found on line 89068 
    12004 ATOM 2683c HWS SOL W9365 -74.155 25.063 -80.694 1.00 0.00 H 
    12005  
    12006 Ignored bad PDB record found on line 89069 
    12007 ATOM 2683e OWS SOL W9366 -69.284 1.327 -78.019 1.00 0.00 O 
    12008  
    12009 Duplicate atom serial number found: 26840 
    12010 Duplicate atom serial number found: 26842 
    12011 Duplicate atom serial number found: 26844 
    12012 Duplicate atom serial number found: 26846 
    12013 Duplicate atom serial number found: 26848 
    12014 Ignored bad PDB record found on line 89075 
    12015 ATOM 2684a OWS SOL W9368 89.149 6.740 -73.267 1.00 0.00 O 
    12016  
    12017 Ignored bad PDB record found on line 89076 
    12018 ATOM 2684c HWS SOL W9368 88.694 7.169 -73.992 1.00 0.00 H 
    12019  
    12020 Ignored bad PDB record found on line 89077 
    12021 ATOM 2684e HWS SOL W9368 89.343 7.448 -72.652 1.00 0.00 H 
    12022  
    12023 Duplicate atom serial number found: 26850 
    12024 Duplicate atom serial number found: 26852 
    12025 Duplicate atom serial number found: 26854 
    12026 Duplicate atom serial number found: 26856 
    12027 Duplicate atom serial number found: 26858 
    12028 Ignored bad PDB record found on line 89083 
    12029 ATOM 2685a HWS SOL W9370 -70.559 -19.626 -86.540 1.00 0.00 H 
    12030  
    12031 Ignored bad PDB record found on line 89084 
    12032 ATOM 2685c OWS SOL W9371 88.071 18.234 -74.145 1.00 0.00 O 
    12033  
    12034 Ignored bad PDB record found on line 89085 
    12035 ATOM 2685e HWS SOL W9371 87.552 18.975 -73.832 1.00 0.00 H 
    12036  
    12037 Duplicate atom serial number found: 26860 
    12038 Duplicate atom serial number found: 26862 
    12039 Duplicate atom serial number found: 26864 
    12040 Duplicate atom serial number found: 26866 
    12041 Duplicate atom serial number found: 26868 
    12042 Ignored bad PDB record found on line 89091 
    12043 ATOM 2686a HWS SOL W9373 82.919 -9.542 -82.064 1.00 0.00 H 
    12044  
    12045 Ignored bad PDB record found on line 89092 
    12046 ATOM 2686c HWS SOL W9373 83.437 -8.535 -81.060 1.00 0.00 H 
    12047  
    12048 Ignored bad PDB record found on line 89093 
    12049 ATOM 2686e OWS SOL W9374 75.596 0.448 82.648 1.00 0.00 O 
    12050  
    12051 Duplicate atom serial number found: 26870 
    12052 Duplicate atom serial number found: 26872 
    12053 Duplicate atom serial number found: 26874 
    12054 Duplicate atom serial number found: 26876 
    12055 Duplicate atom serial number found: 26878 
    12056 Ignored bad PDB record found on line 89099 
    12057 ATOM 2687a OWS SOL W9376 -73.167 -13.389 -86.423 1.00 0.00 O 
    12058  
    12059 Ignored bad PDB record found on line 89100 
    12060 ATOM 2687c HWS SOL W9376 -72.212 -13.384 -86.363 1.00 0.00 H 
    12061  
    12062 Ignored bad PDB record found on line 89101 
    12063 ATOM 2687e HWS SOL W9376 -73.465 -13.364 -85.513 1.00 0.00 H 
    12064  
    12065 Duplicate atom serial number found: 26880 
    12066 Duplicate atom serial number found: 26882 
    12067 Duplicate atom serial number found: 26884 
    12068 Duplicate atom serial number found: 26886 
    12069 Duplicate atom serial number found: 26888 
    12070 Ignored bad PDB record found on line 89107 
    12071 ATOM 2688a HWS SOL W9378 -75.699 -3.339 88.423 1.00 0.00 H 
    12072  
    12073 Ignored bad PDB record found on line 89108 
    12074 ATOM 2688c OWS SOL W9379 -83.021 7.417 -79.879 1.00 0.00 O 
    12075  
    12076 Ignored bad PDB record found on line 89109 
    12077 ATOM 2688e HWS SOL W9379 -82.566 7.609 -80.700 1.00 0.00 H 
    12078  
    12079 Duplicate atom serial number found: 26890 
    12080 Duplicate atom serial number found: 26892 
    12081 Duplicate atom serial number found: 26894 
    12082 Duplicate atom serial number found: 26896 
    12083 Duplicate atom serial number found: 26898 
    12084 Ignored bad PDB record found on line 89115 
    12085 ATOM 2689a HWS SOL W9381 -77.188 13.791 -61.655 1.00 0.00 H 
    12086  
    12087 Ignored bad PDB record found on line 89116 
    12088 ATOM 2689c HWS SOL W9381 -77.188 13.765 -63.169 1.00 0.00 H 
    12089  
    12090 Ignored bad PDB record found on line 89117 
    12091 ATOM 2689e OWS SOL W9382 -73.412 28.847 -84.328 1.00 0.00 O 
    12092  
    12093 Ignored bad PDB record found on line 89118 
    12094 ATOM 268a0 HWS SOL W9382 -72.576 28.796 -83.864 1.00 0.00 H 
    12095  
    12096 Ignored bad PDB record found on line 89119 
    12097 ATOM 268a2 HWS SOL W9382 -73.497 27.998 -84.763 1.00 0.00 H 
    12098  
    12099 46 messages similar to the above omitted 
    12100 Duplicate atom serial number found: 26900 
    12101 Duplicate atom serial number found: 26902 
    12102 Duplicate atom serial number found: 26904 
    12103 Duplicate atom serial number found: 26906 
    12104 Duplicate atom serial number found: 26908 
    12105 Ignored bad PDB record found on line 89171 
    12106 ATOM 2690a OWS SOL W9400 -89.407 1.781 -51.394 1.00 0.00 O 
    12107  
    12108 Ignored bad PDB record found on line 89172 
    12109 ATOM 2690c HWS SOL W9400 -89.038 0.909 -51.251 1.00 0.00 H 
    12110  
    12111 Ignored bad PDB record found on line 89173 
    12112 ATOM 2690e HWS SOL W9400 -89.903 1.965 -50.596 1.00 0.00 H 
    12113  
    12114 Duplicate atom serial number found: 26910 
    12115 Duplicate atom serial number found: 26912 
    12116 Duplicate atom serial number found: 26914 
    12117 Duplicate atom serial number found: 26916 
    12118 Duplicate atom serial number found: 26918 
    12119 Ignored bad PDB record found on line 89179 
    12120 ATOM 2691a HWS SOL W9402 81.954 5.218 87.529 1.00 0.00 H 
    12121  
    12122 Ignored bad PDB record found on line 89180 
    12123 ATOM 2691c OWS SOL W9403 -84.812 12.937 -89.636 1.00 0.00 O 
    12124  
    12125 Ignored bad PDB record found on line 89181 
    12126 ATOM 2691e HWS SOL W9403 -84.773 12.563 -90.516 1.00 0.00 H 
    12127  
    12128 Duplicate atom serial number found: 26920 
    12129 Duplicate atom serial number found: 26922 
    12130 Duplicate atom serial number found: 26924 
    12131 Duplicate atom serial number found: 26926 
    12132 Duplicate atom serial number found: 26928 
    12133 Ignored bad PDB record found on line 89187 
    12134 ATOM 2692a HWS SOL W9405 87.014 -8.821 -77.881 1.00 0.00 H 
    12135  
    12136 Ignored bad PDB record found on line 89188 
    12137 ATOM 2692c HWS SOL W9405 88.364 -8.606 -78.530 1.00 0.00 H 
    12138  
    12139 Ignored bad PDB record found on line 89189 
    12140 ATOM 2692e OWS SOL W9406 87.166 -21.238 -69.947 1.00 0.00 O 
    12141  
    12142 Duplicate atom serial number found: 26930 
    12143 Duplicate atom serial number found: 26932 
    12144 Duplicate atom serial number found: 26934 
    12145 Duplicate atom serial number found: 26936 
    12146 Duplicate atom serial number found: 26938 
    12147 Ignored bad PDB record found on line 89195 
    12148 ATOM 2693a OWS SOL W9408 -68.765 -28.232 -67.108 1.00 0.00 O 
    12149  
    12150 Ignored bad PDB record found on line 89196 
    12151 ATOM 2693c HWS SOL W9408 -67.857 -28.344 -66.827 1.00 0.00 H 
    12152  
    12153 Ignored bad PDB record found on line 89197 
    12154 ATOM 2693e HWS SOL W9408 -68.702 -27.802 -67.961 1.00 0.00 H 
    12155  
    12156 Duplicate atom serial number found: 26940 
    12157 Duplicate atom serial number found: 26942 
    12158 Duplicate atom serial number found: 26944 
    12159 Duplicate atom serial number found: 26946 
    12160 Duplicate atom serial number found: 26948 
    12161 Ignored bad PDB record found on line 89203 
    12162 ATOM 2694a HWS SOL W9410 -88.251 4.096 -75.023 1.00 0.00 H 
    12163  
    12164 Ignored bad PDB record found on line 89204 
    12165 ATOM 2694c OWS SOL W9411 -87.924 -23.488 -55.929 1.00 0.00 O 
    12166  
    12167 Ignored bad PDB record found on line 89205 
    12168 ATOM 2694e HWS SOL W9411 -87.196 -23.253 -56.505 1.00 0.00 H 
    12169  
    12170 Duplicate atom serial number found: 26950 
    12171 Duplicate atom serial number found: 26952 
    12172 Duplicate atom serial number found: 26954 
    12173 Duplicate atom serial number found: 26956 
    12174 Duplicate atom serial number found: 26958 
    12175 Ignored bad PDB record found on line 89211 
    12176 ATOM 2695a HWS SOL W9413 82.422 13.870 -71.974 1.00 0.00 H 
    12177  
    12178 Ignored bad PDB record found on line 89212 
    12179 ATOM 2695c HWS SOL W9413 83.820 13.437 -72.361 1.00 0.00 H 
    12180  
    12181 Ignored bad PDB record found on line 89213 
    12182 ATOM 2695e OWS SOL W9414 87.205 16.488 -71.108 1.00 0.00 O 
    12183  
    12184 Duplicate atom serial number found: 26960 
    12185 Duplicate atom serial number found: 26962 
    12186 Duplicate atom serial number found: 26964 
    12187 Duplicate atom serial number found: 26966 
    12188 Duplicate atom serial number found: 26968 
    12189 Ignored bad PDB record found on line 89219 
    12190 ATOM 2696a OWS SOL W9416 82.455 3.126 -69.572 1.00 0.00 O 
    12191  
    12192 Ignored bad PDB record found on line 89220 
    12193 ATOM 2696c HWS SOL W9416 83.396 3.067 -69.406 1.00 0.00 H 
    12194  
    12195 Ignored bad PDB record found on line 89221 
    12196 ATOM 2696e HWS SOL W9416 82.082 3.422 -68.742 1.00 0.00 H 
    12197  
    12198 Duplicate atom serial number found: 26970 
    12199 Duplicate atom serial number found: 26972 
    12200 Duplicate atom serial number found: 26974 
    12201 Duplicate atom serial number found: 26976 
    12202 Duplicate atom serial number found: 26978 
    12203 Ignored bad PDB record found on line 89227 
    12204 ATOM 2697a HWS SOL W9418 -72.127 3.612 -87.914 1.00 0.00 H 
    12205  
    12206 Ignored bad PDB record found on line 89228 
    12207 ATOM 2697c OWS SOL W9419 -62.498 9.493 -87.469 1.00 0.00 O 
    12208  
    12209 Ignored bad PDB record found on line 89229 
    12210 ATOM 2697e HWS SOL W9419 -63.314 9.523 -87.970 1.00 0.00 H 
    12211  
    12212 Duplicate atom serial number found: 26980 
    12213 Duplicate atom serial number found: 26982 
    12214 Duplicate atom serial number found: 26984 
    12215 Duplicate atom serial number found: 26986 
    12216 Duplicate atom serial number found: 26988 
    12217 Ignored bad PDB record found on line 89235 
    12218 ATOM 2698a HWS SOL W9421 -79.572 3.232 -68.152 1.00 0.00 H 
    12219  
    12220 Ignored bad PDB record found on line 89236 
    12221 ATOM 2698c HWS SOL W9421 -80.671 2.825 -67.192 1.00 0.00 H 
    12222  
    12223 Ignored bad PDB record found on line 89237 
    12224 ATOM 2698e OWS SOL W9422 -55.522 -12.806 -87.244 1.00 0.00 O 
    12225  
    12226 Duplicate atom serial number found: 26990 
    12227 Duplicate atom serial number found: 26992 
    12228 Duplicate atom serial number found: 26994 
    12229 Duplicate atom serial number found: 26996 
    12230 Duplicate atom serial number found: 26998 
    12231 Ignored bad PDB record found on line 89243 
    12232 ATOM 2699a OWS SOL W9424 -61.700 13.426 -89.900 1.00 0.00 O 
    12233  
    12234 Ignored bad PDB record found on line 89244 
    12235 ATOM 2699c HWS SOL W9424 -61.409 14.334 -89.813 1.00 0.00 H 
    12236  
    12237 Ignored bad PDB record found on line 89245 
    12238 ATOM 2699e HWS SOL W9424 -62.538 13.485 -90.359 1.00 0.00 H 
    12239  
    12240 Ignored bad PDB record found on line 89246 
    12241 ATOM 269a0 OWS SOL W9425 80.254 -2.183 70.080 1.00 0.00 O 
    12242  
    12243 Ignored bad PDB record found on line 89247 
    12244 ATOM 269a2 HWS SOL W9425 81.094 -1.781 70.302 1.00 0.00 H 
    12245  
    12246 814 messages similar to the above omitted 
    12247 Duplicate atom serial number found: 27000 
    12248 Duplicate atom serial number found: 27002 
    12249 Duplicate atom serial number found: 27004 
    12250 Duplicate atom serial number found: 27006 
    12251 Duplicate atom serial number found: 27008 
    12252 Ignored bad PDB record found on line 90067 
    12253 ATOM 2700a HWS SOL W9702 -85.046 11.936 -53.485 1.00 0.00 H 
    12254  
    12255 Ignored bad PDB record found on line 90068 
    12256 ATOM 2700c OWS SOL W9703 -68.662 -23.768 -35.751 1.00 0.00 O 
    12257  
    12258 Ignored bad PDB record found on line 90069 
    12259 ATOM 2700e HWS SOL W9703 -69.058 -24.640 -35.758 1.00 0.00 H 
    12260  
    12261 Duplicate atom serial number found: 27010 
    12262 Duplicate atom serial number found: 27012 
    12263 Duplicate atom serial number found: 27014 
    12264 Duplicate atom serial number found: 27016 
    12265 Duplicate atom serial number found: 27018 
    12266 Ignored bad PDB record found on line 90075 
    12267 ATOM 2701a HWS SOL W9705 87.013 -15.549 -48.468 1.00 0.00 H 
    12268  
    12269 Ignored bad PDB record found on line 90076 
    12270 ATOM 2701c HWS SOL W9705 86.965 -16.413 -47.226 1.00 0.00 H 
    12271  
    12272 Ignored bad PDB record found on line 90077 
    12273 ATOM 2701e OWS SOL W9706 -69.571 -5.458 -60.339 1.00 0.00 O 
    12274  
    12275 Duplicate atom serial number found: 27020 
    12276 Duplicate atom serial number found: 27022 
    12277 Duplicate atom serial number found: 27024 
    12278 Duplicate atom serial number found: 27026 
    12279 Duplicate atom serial number found: 27028 
    12280 Ignored bad PDB record found on line 90083 
    12281 ATOM 2702a OWS SOL W9708 -78.952 14.427 -48.734 1.00 0.00 O 
    12282  
    12283 Ignored bad PDB record found on line 90084 
    12284 ATOM 2702c HWS SOL W9708 -79.209 13.856 -48.009 1.00 0.00 H 
    12285  
    12286 Ignored bad PDB record found on line 90085 
    12287 ATOM 2702e HWS SOL W9708 -79.582 15.147 -48.706 1.00 0.00 H 
    12288  
    12289 Duplicate atom serial number found: 27030 
    12290 Duplicate atom serial number found: 27032 
    12291 Duplicate atom serial number found: 27034 
    12292 Duplicate atom serial number found: 27036 
    12293 Duplicate atom serial number found: 27038 
    12294 Ignored bad PDB record found on line 90091 
    12295 ATOM 2703a HWS SOL W9710 -76.754 14.129 -57.160 1.00 0.00 H 
    12296  
    12297 Ignored bad PDB record found on line 90092 
    12298 ATOM 2703c OWS SOL W9711 63.059 13.265 -43.832 1.00 0.00 O 
    12299  
    12300 Ignored bad PDB record found on line 90093 
    12301 ATOM 2703e HWS SOL W9711 63.613 13.269 -43.051 1.00 0.00 H 
    12302  
    12303 Duplicate atom serial number found: 27040 
    12304 Duplicate atom serial number found: 27042 
    12305 Duplicate atom serial number found: 27044 
    12306 Duplicate atom serial number found: 27046 
    12307 Duplicate atom serial number found: 27048 
    12308 Ignored bad PDB record found on line 90099 
    12309 ATOM 2704a HWS SOL W9713 -77.565 -1.060 -30.335 1.00 0.00 H 
    12310  
    12311 Ignored bad PDB record found on line 90100 
    12312 ATOM 2704c HWS SOL W9713 -78.283 -2.020 -29.410 1.00 0.00 H 
    12313  
    12314 Ignored bad PDB record found on line 90101 
    12315 ATOM 2704e OWS SOL W9714 -77.761 20.411 -60.171 1.00 0.00 O 
    12316  
    12317 Duplicate atom serial number found: 27050 
    12318 Duplicate atom serial number found: 27052 
    12319 Duplicate atom serial number found: 27054 
    12320 Duplicate atom serial number found: 27056 
    12321 Duplicate atom serial number found: 27058 
    12322 Ignored bad PDB record found on line 90107 
    12323 ATOM 2705a OWS SOL W9716 -79.219 -20.940 -61.736 1.00 0.00 O 
    12324  
    12325 Ignored bad PDB record found on line 90108 
    12326 ATOM 2705c HWS SOL W9716 -79.328 -20.672 -60.823 1.00 0.00 H 
    12327  
    12328 Ignored bad PDB record found on line 90109 
    12329 ATOM 2705e HWS SOL W9716 -79.978 -20.571 -62.187 1.00 0.00 H 
    12330  
    12331 Duplicate atom serial number found: 27060 
    12332 Duplicate atom serial number found: 27062 
    12333 Duplicate atom serial number found: 27064 
    12334 Duplicate atom serial number found: 27066 
    12335 Duplicate atom serial number found: 27068 
    12336 Ignored bad PDB record found on line 90115 
    12337 ATOM 2706a HWS SOL W9718 -64.046 -3.217 -79.821 1.00 0.00 H 
    12338  
    12339 Ignored bad PDB record found on line 90116 
    12340 ATOM 2706c OWS SOL W9719 85.288 15.181 -55.324 1.00 0.00 O 
    12341  
    12342 Ignored bad PDB record found on line 90117 
    12343 ATOM 2706e HWS SOL W9719 84.455 14.998 -54.891 1.00 0.00 H 
    12344  
    12345 Duplicate atom serial number found: 27070 
    12346 Duplicate atom serial number found: 27072 
    12347 Duplicate atom serial number found: 27074 
    12348 Duplicate atom serial number found: 27076 
    12349 Duplicate atom serial number found: 27078 
    12350 Ignored bad PDB record found on line 90123 
    12351 ATOM 2707a HWS SOL W9721 -86.860 -9.958 -63.174 1.00 0.00 H 
    12352  
    12353 Ignored bad PDB record found on line 90124 
    12354 ATOM 2707c HWS SOL W9721 -87.458 -11.032 -64.058 1.00 0.00 H 
    12355  
    12356 Ignored bad PDB record found on line 90125 
    12357 ATOM 2707e OWS SOL W9722 -84.332 -7.091 -73.288 1.00 0.00 O 
    12358  
    12359 Duplicate atom serial number found: 27080 
    12360 Duplicate atom serial number found: 27082 
    12361 Duplicate atom serial number found: 27084 
    12362 Duplicate atom serial number found: 27086 
    12363 Duplicate atom serial number found: 27088 
    12364 Ignored bad PDB record found on line 90131 
    12365 ATOM 2708a OWS SOL W9724 70.413 -1.576 -36.474 1.00 0.00 O 
    12366  
    12367 Ignored bad PDB record found on line 90132 
    12368 ATOM 2708c HWS SOL W9724 70.364 -2.051 -35.645 1.00 0.00 H 
    12369  
    12370 Ignored bad PDB record found on line 90133 
    12371 ATOM 2708e HWS SOL W9724 70.612 -2.248 -37.125 1.00 0.00 H 
    12372  
    12373 Duplicate atom serial number found: 27090 
    12374 Duplicate atom serial number found: 27092 
    12375 Duplicate atom serial number found: 27094 
    12376 Duplicate atom serial number found: 27096 
    12377 Duplicate atom serial number found: 27098 
    12378 Ignored bad PDB record found on line 90139 
    12379 ATOM 2709a HWS SOL W9726 -64.810 13.835 -53.679 1.00 0.00 H 
    12380  
    12381 Ignored bad PDB record found on line 90140 
    12382 ATOM 2709c OWS SOL W9727 88.815 31.358 -49.457 1.00 0.00 O 
    12383  
    12384 Ignored bad PDB record found on line 90141 
    12385 ATOM 2709e HWS SOL W9727 88.807 31.572 -48.524 1.00 0.00 H 
    12386  
    12387 Ignored bad PDB record found on line 90142 
    12388 ATOM 270a0 HWS SOL W9727 87.914 31.504 -49.745 1.00 0.00 H 
    12389  
    12390 Ignored bad PDB record found on line 90143 
    12391 ATOM 270a2 OWS SOL W9728 -78.811 -8.307 -62.044 1.00 0.00 O 
    12392  
    12393 46 messages similar to the above omitted 
    12394 Duplicate atom serial number found: 27100 
    12395 Duplicate atom serial number found: 27102 
    12396 Duplicate atom serial number found: 27104 
    12397 Duplicate atom serial number found: 27106 
    12398 Duplicate atom serial number found: 27108 
    12399 Ignored bad PDB record found on line 90195 
    12400 ATOM 2710a HWS SOL W9745 -75.633 30.036 -61.245 1.00 0.00 H 
    12401  
    12402 Ignored bad PDB record found on line 90196 
    12403 ATOM 2710c HWS SOL W9745 -76.056 30.995 -60.153 1.00 0.00 H 
    12404  
    12405 Ignored bad PDB record found on line 90197 
    12406 ATOM 2710e OWS SOL W9746 85.174 12.700 -56.213 1.00 0.00 O 
    12407  
    12408 Duplicate atom serial number found: 27110 
    12409 Duplicate atom serial number found: 27112 
    12410 Duplicate atom serial number found: 27114 
    12411 Duplicate atom serial number found: 27116 
    12412 Duplicate atom serial number found: 27118 
    12413 Ignored bad PDB record found on line 90203 
    12414 ATOM 2711a OWS SOL W9748 -75.080 -5.099 -79.664 1.00 0.00 O 
    12415  
    12416 Ignored bad PDB record found on line 90204 
    12417 ATOM 2711c HWS SOL W9748 -75.449 -5.948 -79.420 1.00 0.00 H 
    12418  
    12419 Ignored bad PDB record found on line 90205 
    12420 ATOM 2711e HWS SOL W9748 -74.132 -5.224 -79.607 1.00 0.00 H 
    12421  
    12422 Duplicate atom serial number found: 27120 
    12423 Duplicate atom serial number found: 27122 
    12424 Duplicate atom serial number found: 27124 
    12425 Duplicate atom serial number found: 27126 
    12426 Duplicate atom serial number found: 27128 
    12427 Ignored bad PDB record found on line 90211 
    12428 ATOM 2712a HWS SOL W9750 -56.003 -10.221 -59.490 1.00 0.00 H 
    12429  
    12430 Ignored bad PDB record found on line 90212 
    12431 ATOM 2712c OWS SOL W9751 -77.287 8.818 -33.379 1.00 0.00 O 
    12432  
    12433 Ignored bad PDB record found on line 90213 
    12434 ATOM 2712e HWS SOL W9751 -77.745 9.609 -33.093 1.00 0.00 H 
    12435  
    12436 Duplicate atom serial number found: 27130 
    12437 Duplicate atom serial number found: 27132 
    12438 Duplicate atom serial number found: 27134 
    12439 Duplicate atom serial number found: 27136 
    12440 Duplicate atom serial number found: 27138 
    12441 Ignored bad PDB record found on line 90219 
    12442 ATOM 2713a HWS SOL W9753 -63.822 38.322 -77.507 1.00 0.00 H 
    12443  
    12444 Ignored bad PDB record found on line 90220 
    12445 ATOM 2713c HWS SOL W9753 -64.652 39.544 -77.175 1.00 0.00 H 
    12446  
    12447 Ignored bad PDB record found on line 90221 
    12448 ATOM 2713e OWS SOL W9754 87.093 18.514 -48.811 1.00 0.00 O 
    12449  
    12450 Duplicate atom serial number found: 27140 
    12451 Duplicate atom serial number found: 27142 
    12452 Duplicate atom serial number found: 27144 
    12453 Duplicate atom serial number found: 27146 
    12454 Duplicate atom serial number found: 27148 
    12455 Ignored bad PDB record found on line 90227 
    12456 ATOM 2714a OWS SOL W9756 -72.514 2.464 -53.983 1.00 0.00 O 
    12457  
    12458 Ignored bad PDB record found on line 90228 
    12459 ATOM 2714c HWS SOL W9756 -71.653 2.411 -54.397 1.00 0.00 H 
    12460  
    12461 Ignored bad PDB record found on line 90229 
    12462 ATOM 2714e HWS SOL W9756 -72.927 3.230 -54.383 1.00 0.00 H 
    12463  
    12464 Duplicate atom serial number found: 27150 
    12465 Duplicate atom serial number found: 27152 
    12466 Duplicate atom serial number found: 27154 
    12467 Duplicate atom serial number found: 27156 
    12468 Duplicate atom serial number found: 27158 
    12469 Ignored bad PDB record found on line 90235 
    12470 ATOM 2715a HWS SOL W9758 -62.939 8.852 -38.165 1.00 0.00 H 
    12471  
    12472 Ignored bad PDB record found on line 90236 
    12473 ATOM 2715c OWS SOL W9759 -74.321 5.319 -62.963 1.00 0.00 O 
    12474  
    12475 Ignored bad PDB record found on line 90237 
    12476 ATOM 2715e HWS SOL W9759 -73.702 5.803 -63.509 1.00 0.00 H 
    12477  
    12478 Duplicate atom serial number found: 27160 
    12479 Duplicate atom serial number found: 27162 
    12480 Duplicate atom serial number found: 27164 
    12481 Duplicate atom serial number found: 27166 
    12482 Duplicate atom serial number found: 27168 
    12483 Ignored bad PDB record found on line 90243 
    12484 ATOM 2716a HWS SOL W9761 -84.119 20.231 -44.970 1.00 0.00 H 
    12485  
    12486 Ignored bad PDB record found on line 90244 
    12487 ATOM 2716c HWS SOL W9761 -82.981 19.632 -44.172 1.00 0.00 H 
    12488  
    12489 Ignored bad PDB record found on line 90245 
    12490 ATOM 2716e OWS SOL W9762 -68.176 2.488 -45.505 1.00 0.00 O 
    12491  
    12492 Duplicate atom serial number found: 27170 
    12493 Duplicate atom serial number found: 27172 
    12494 Duplicate atom serial number found: 27174 
    12495 Duplicate atom serial number found: 27176 
    12496 Duplicate atom serial number found: 27178 
    12497 Ignored bad PDB record found on line 90251 
    12498 ATOM 2717a OWS SOL W9764 -81.889 1.156 -53.374 1.00 0.00 O 
    12499  
    12500 Ignored bad PDB record found on line 90252 
    12501 ATOM 2717c HWS SOL W9764 -81.422 1.569 -54.101 1.00 0.00 H 
    12502  
    12503 Ignored bad PDB record found on line 90253 
    12504 ATOM 2717e HWS SOL W9764 -82.755 1.563 -53.382 1.00 0.00 H 
    12505  
    12506 Duplicate atom serial number found: 27180 
    12507 Duplicate atom serial number found: 27182 
    12508 Duplicate atom serial number found: 27184 
    12509 Duplicate atom serial number found: 27186 
    12510 Duplicate atom serial number found: 27188 
    12511 Ignored bad PDB record found on line 90259 
    12512 ATOM 2718a HWS SOL W9766 -57.451 1.639 -35.997 1.00 0.00 H 
    12513  
    12514 Ignored bad PDB record found on line 90260 
    12515 ATOM 2718c OWS SOL W9767 -80.211 -7.461 -47.560 1.00 0.00 O 
    12516  
    12517 Ignored bad PDB record found on line 90261 
    12518 ATOM 2718e HWS SOL W9767 -79.549 -7.998 -47.995 1.00 0.00 H 
    12519  
    12520 Duplicate atom serial number found: 27190 
    12521 Duplicate atom serial number found: 27192 
    12522 Duplicate atom serial number found: 27194 
    12523 Duplicate atom serial number found: 27196 
    12524 Duplicate atom serial number found: 27198 
    12525 Ignored bad PDB record found on line 90267 
    12526 ATOM 2719a HWS SOL W9769 -81.833 -6.778 -61.355 1.00 0.00 H 
    12527  
    12528 Ignored bad PDB record found on line 90268 
    12529 ATOM 2719c HWS SOL W9769 -80.613 -7.436 -61.965 1.00 0.00 H 
    12530  
    12531 Ignored bad PDB record found on line 90269 
    12532 ATOM 2719e OWS SOL W9770 79.876 -13.458 -61.766 1.00 0.00 O 
    12533  
    12534 Ignored bad PDB record found on line 90270 
    12535 ATOM 271a0 HWS SOL W9770 79.802 -13.958 -60.953 1.00 0.00 H 
    12536  
    12537 Ignored bad PDB record found on line 90271 
    12538 ATOM 271a2 HWS SOL W9770 80.067 -14.116 -62.435 1.00 0.00 H 
    12539  
    12540 46 messages similar to the above omitted 
    12541 Duplicate atom serial number found: 27200 
    12542 Duplicate atom serial number found: 27202 
    12543 Duplicate atom serial number found: 27204 
    12544 Duplicate atom serial number found: 27206 
    12545 Duplicate atom serial number found: 27208 
    12546 Ignored bad PDB record found on line 90323 
    12547 ATOM 2720a OWS SOL W9788 -86.188 15.768 -53.679 1.00 0.00 O 
    12548  
    12549 Ignored bad PDB record found on line 90324 
    12550 ATOM 2720c HWS SOL W9788 -87.073 15.413 -53.589 1.00 0.00 H 
    12551  
    12552 Ignored bad PDB record found on line 90325 
    12553 ATOM 2720e HWS SOL W9788 -85.750 15.528 -52.862 1.00 0.00 H 
    12554  
    12555 Duplicate atom serial number found: 27210 
    12556 Duplicate atom serial number found: 27212 
    12557 Duplicate atom serial number found: 27214 
    12558 Duplicate atom serial number found: 27216 
    12559 Duplicate atom serial number found: 27218 
    12560 Ignored bad PDB record found on line 90331 
    12561 ATOM 2721a HWS SOL W9790 -72.014 -7.550 -32.900 1.00 0.00 H 
    12562  
    12563 Ignored bad PDB record found on line 90332 
    12564 ATOM 2721c OWS SOL W9791 85.137 14.860 -65.271 1.00 0.00 O 
    12565  
    12566 Ignored bad PDB record found on line 90333 
    12567 ATOM 2721e HWS SOL W9791 85.992 14.583 -65.600 1.00 0.00 H 
    12568  
    12569 Duplicate atom serial number found: 27220 
    12570 Duplicate atom serial number found: 27222 
    12571 Duplicate atom serial number found: 27224 
    12572 Duplicate atom serial number found: 27226 
    12573 Duplicate atom serial number found: 27228 
    12574 Ignored bad PDB record found on line 90339 
    12575 ATOM 2722a HWS SOL W9793 -81.167 5.262 -58.565 1.00 0.00 H 
    12576  
    12577 Ignored bad PDB record found on line 90340 
    12578 ATOM 2722c HWS SOL W9793 -81.895 5.201 -59.892 1.00 0.00 H 
    12579  
    12580 Ignored bad PDB record found on line 90341 
    12581 ATOM 2722e OWS SOL W9794 -81.576 -3.871 -41.824 1.00 0.00 O 
    12582  
    12583 Duplicate atom serial number found: 27230 
    12584 Duplicate atom serial number found: 27232 
    12585 Duplicate atom serial number found: 27234 
    12586 Duplicate atom serial number found: 27236 
    12587 Duplicate atom serial number found: 27238 
    12588 Ignored bad PDB record found on line 90347 
    12589 ATOM 2723a OWS SOL W9796 -88.991 3.969 -53.255 1.00 0.00 O 
    12590  
    12591 Ignored bad PDB record found on line 90348 
    12592 ATOM 2723c HWS SOL W9796 -89.582 4.712 -53.135 1.00 0.00 H 
    12593  
    12594 Ignored bad PDB record found on line 90349 
    12595 ATOM 2723e HWS SOL W9796 -89.164 3.401 -52.505 1.00 0.00 H 
    12596  
    12597 Duplicate atom serial number found: 27240 
    12598 Duplicate atom serial number found: 27242 
    12599 Duplicate atom serial number found: 27244 
    12600 Duplicate atom serial number found: 27246 
    12601 Duplicate atom serial number found: 27248 
    12602 Ignored bad PDB record found on line 90355 
    12603 ATOM 2724a HWS SOL W9798 -84.621 24.895 -45.977 1.00 0.00 H 
    12604  
    12605 Ignored bad PDB record found on line 90356 
    12606 ATOM 2724c OWS SOL W9799 -66.595 7.417 -59.298 1.00 0.00 O 
    12607  
    12608 Ignored bad PDB record found on line 90357 
    12609 ATOM 2724e HWS SOL W9799 -66.899 8.323 -59.244 1.00 0.00 H 
    12610  
    12611 Duplicate atom serial number found: 27250 
    12612 Duplicate atom serial number found: 27252 
    12613 Duplicate atom serial number found: 27254 
    12614 Duplicate atom serial number found: 27256 
    12615 Duplicate atom serial number found: 27258 
    12616 Ignored bad PDB record found on line 90363 
    12617 ATOM 2725a HWS SOL W9801 -66.956 11.328 -53.071 1.00 0.00 H 
    12618  
    12619 Ignored bad PDB record found on line 90364 
    12620 ATOM 2725c HWS SOL W9801 -68.185 10.595 -52.576 1.00 0.00 H 
    12621  
    12622 Ignored bad PDB record found on line 90365 
    12623 ATOM 2725e OWS SOL W9802 82.320 -1.445 -48.064 1.00 0.00 O 
    12624  
    12625 Duplicate atom serial number found: 27260 
    12626 Duplicate atom serial number found: 27262 
    12627 Duplicate atom serial number found: 27264 
    12628 Duplicate atom serial number found: 27266 
    12629 Duplicate atom serial number found: 27268 
    12630 Ignored bad PDB record found on line 90371 
    12631 ATOM 2726a OWS SOL W9804 -88.506 11.293 -56.168 1.00 0.00 O 
    12632  
    12633 Ignored bad PDB record found on line 90372 
    12634 ATOM 2726c HWS SOL W9804 -88.039 10.475 -56.339 1.00 0.00 H 
    12635  
    12636 Ignored bad PDB record found on line 90373 
    12637 ATOM 2726e HWS SOL W9804 -89.372 11.159 -56.554 1.00 0.00 H 
    12638  
    12639 Duplicate atom serial number found: 27270 
    12640 Duplicate atom serial number found: 27272 
    12641 Duplicate atom serial number found: 27274 
    12642 Duplicate atom serial number found: 27276 
    12643 Duplicate atom serial number found: 27278 
    12644 Ignored bad PDB record found on line 90379 
    12645 ATOM 2727a HWS SOL W9806 84.428 -1.709 -67.095 1.00 0.00 H 
    12646  
    12647 Ignored bad PDB record found on line 90380 
    12648 ATOM 2727c OWS SOL W9807 -74.195 14.289 -50.844 1.00 0.00 O 
    12649  
    12650 Ignored bad PDB record found on line 90381 
    12651 ATOM 2727e HWS SOL W9807 -73.900 15.191 -50.972 1.00 0.00 H 
    12652  
    12653 Duplicate atom serial number found: 27280 
    12654 Duplicate atom serial number found: 27282 
    12655 Duplicate atom serial number found: 27284 
    12656 Duplicate atom serial number found: 27286 
    12657 Duplicate atom serial number found: 27288 
    12658 Ignored bad PDB record found on line 90387 
    12659 ATOM 2728a HWS SOL W9809 -72.260 25.547 -44.241 1.00 0.00 H 
    12660  
    12661 Ignored bad PDB record found on line 90388 
    12662 ATOM 2728c HWS SOL W9809 -72.032 25.114 -45.674 1.00 0.00 H 
    12663  
    12664 Ignored bad PDB record found on line 90389 
    12665 ATOM 2728e OWS SOL W9810 -75.884 -4.044 -82.273 1.00 0.00 O 
    12666  
    12667 Duplicate atom serial number found: 27290 
    12668 Duplicate atom serial number found: 27292 
    12669 Duplicate atom serial number found: 27294 
    12670 Duplicate atom serial number found: 27296 
    12671 Duplicate atom serial number found: 27298 
    12672 Ignored bad PDB record found on line 90395 
    12673 ATOM 2729a OWS SOL W9812 84.463 -6.689 -56.808 1.00 0.00 O 
    12674  
    12675 Ignored bad PDB record found on line 90396 
    12676 ATOM 2729c HWS SOL W9812 83.822 -7.372 -57.003 1.00 0.00 H 
    12677  
    12678 Ignored bad PDB record found on line 90397 
    12679 ATOM 2729e HWS SOL W9812 84.829 -6.452 -57.660 1.00 0.00 H 
    12680  
    12681 Ignored bad PDB record found on line 90398 
    12682 ATOM 272a0 OWS SOL W9813 -68.221 -19.147 -45.170 1.00 0.00 O 
    12683  
    12684 Ignored bad PDB record found on line 90399 
    12685 ATOM 272a2 HWS SOL W9813 -67.352 -18.779 -45.331 1.00 0.00 H 
    12686  
    12687 46 messages similar to the above omitted 
    12688 Duplicate atom serial number found: 27300 
    12689 Duplicate atom serial number found: 27302 
    12690 Duplicate atom serial number found: 27304 
    12691 Duplicate atom serial number found: 27306 
    12692 Duplicate atom serial number found: 27308 
    12693 Ignored bad PDB record found on line 90451 
    12694 ATOM 2730a HWS SOL W9830 -74.324 -1.082 -46.839 1.00 0.00 H 
    12695  
    12696 Ignored bad PDB record found on line 90452 
    12697 ATOM 2730c OWS SOL W9831 -86.353 10.463 -54.319 1.00 0.00 O 
    12698  
    12699 Ignored bad PDB record found on line 90453 
    12700 ATOM 2730e HWS SOL W9831 -86.877 10.969 -54.940 1.00 0.00 H 
    12701  
    12702 Duplicate atom serial number found: 27310 
    12703 Duplicate atom serial number found: 27312 
    12704 Duplicate atom serial number found: 27314 
    12705 Duplicate atom serial number found: 27316 
    12706 Duplicate atom serial number found: 27318 
    12707 Ignored bad PDB record found on line 90459 
    12708 ATOM 2731a HWS SOL W9833 89.488 -2.323 -60.024 1.00 0.00 H 
    12709  
    12710 Ignored bad PDB record found on line 90460 
    12711 ATOM 2731c HWS SOL W9833 90.119 -3.612 -60.504 1.00 0.00 H 
    12712  
    12713 Ignored bad PDB record found on line 90461 
    12714 ATOM 2731e OWS SOL W9834 -62.825 12.942 -56.528 1.00 0.00 O 
    12715  
    12716 Duplicate atom serial number found: 27320 
    12717 Duplicate atom serial number found: 27322 
    12718 Duplicate atom serial number found: 27324 
    12719 Duplicate atom serial number found: 27326 
    12720 Duplicate atom serial number found: 27328 
    12721 Ignored bad PDB record found on line 90467 
    12722 ATOM 2732a OWS SOL W9836 -73.628 18.280 -61.797 1.00 0.00 O 
    12723  
    12724 Ignored bad PDB record found on line 90468 
    12725 ATOM 2732c HWS SOL W9836 -73.157 17.646 -61.257 1.00 0.00 H 
    12726  
    12727 Ignored bad PDB record found on line 90469 
    12728 ATOM 2732e HWS SOL W9836 -73.201 19.116 -61.612 1.00 0.00 H 
    12729  
    12730 Duplicate atom serial number found: 27330 
    12731 Duplicate atom serial number found: 27332 
    12732 Duplicate atom serial number found: 27334 
    12733 Duplicate atom serial number found: 27336 
    12734 Duplicate atom serial number found: 27338 
    12735 Ignored bad PDB record found on line 90475 
    12736 ATOM 2733a HWS SOL W9838 -85.836 7.089 -55.860 1.00 0.00 H 
    12737  
    12738 Ignored bad PDB record found on line 90476 
    12739 ATOM 2733c OWS SOL W9839 -78.153 -12.371 -72.666 1.00 0.00 O 
    12740  
    12741 Ignored bad PDB record found on line 90477 
    12742 ATOM 2733e HWS SOL W9839 -78.447 -12.822 -71.874 1.00 0.00 H 
    12743  
    12744 Duplicate atom serial number found: 27340 
    12745 Duplicate atom serial number found: 27342 
    12746 Duplicate atom serial number found: 27344 
    12747 Duplicate atom serial number found: 27346 
    12748 Duplicate atom serial number found: 27348 
    12749 Ignored bad PDB record found on line 90483 
    12750 ATOM 2734a HWS SOL W9841 -82.427 -18.859 -39.941 1.00 0.00 H 
    12751  
    12752 Ignored bad PDB record found on line 90484 
    12753 ATOM 2734c HWS SOL W9841 -83.125 -17.528 -39.759 1.00 0.00 H 
    12754  
    12755 Ignored bad PDB record found on line 90485 
    12756 ATOM 2734e OWS SOL W9842 -60.258 -2.511 -42.263 1.00 0.00 O 
    12757  
    12758 Duplicate atom serial number found: 27350 
    12759 Duplicate atom serial number found: 27352 
    12760 Duplicate atom serial number found: 27354 
    12761 Duplicate atom serial number found: 27356 
    12762 Duplicate atom serial number found: 27358 
    12763 Ignored bad PDB record found on line 90491 
    12764 ATOM 2735a OWS SOL W9844 -72.409 23.325 -46.400 1.00 0.00 O 
    12765  
    12766 Ignored bad PDB record found on line 90492 
    12767 ATOM 2735c HWS SOL W9844 -72.470 22.558 -45.832 1.00 0.00 H 
    12768  
    12769 Ignored bad PDB record found on line 90493 
    12770 ATOM 2735e HWS SOL W9844 -73.311 23.498 -46.669 1.00 0.00 H 
    12771  
    12772 Duplicate atom serial number found: 27360 
    12773 Duplicate atom serial number found: 27362 
    12774 Duplicate atom serial number found: 27364 
    12775 Duplicate atom serial number found: 27366 
    12776 Duplicate atom serial number found: 27368 
    12777 Ignored bad PDB record found on line 90499 
    12778 ATOM 2736a HWS SOL W9846 89.886 7.877 -76.717 1.00 0.00 H 
    12779  
    12780 Ignored bad PDB record found on line 90500 
    12781 ATOM 2736c OWS SOL W9847 -77.541 -9.353 -72.096 1.00 0.00 O 
    12782  
    12783 Ignored bad PDB record found on line 90501 
    12784 ATOM 2736e HWS SOL W9847 -78.376 -9.292 -72.559 1.00 0.00 H 
    12785  
    12786 Duplicate atom serial number found: 27370 
    12787 Duplicate atom serial number found: 27372 
    12788 Duplicate atom serial number found: 27374 
    12789 Duplicate atom serial number found: 27376 
    12790 Duplicate atom serial number found: 27378 
    12791 Ignored bad PDB record found on line 90507 
    12792 ATOM 2737a HWS SOL W9849 74.399 0.290 -47.380 1.00 0.00 H 
    12793  
    12794 Ignored bad PDB record found on line 90508 
    12795 ATOM 2737c HWS SOL W9849 73.888 1.614 -46.853 1.00 0.00 H 
    12796  
    12797 Ignored bad PDB record found on line 90509 
    12798 ATOM 2737e OWS SOL W9850 76.885 17.536 -42.385 1.00 0.00 O 
    12799  
    12800 Duplicate atom serial number found: 27380 
    12801 Duplicate atom serial number found: 27382 
    12802 Duplicate atom serial number found: 27384 
    12803 Duplicate atom serial number found: 27386 
    12804 Duplicate atom serial number found: 27388 
    12805 Ignored bad PDB record found on line 90515 
    12806 ATOM 2738a OWS SOL W9852 82.411 25.669 -49.300 1.00 0.00 O 
    12807  
    12808 Ignored bad PDB record found on line 90516 
    12809 ATOM 2738c HWS SOL W9852 82.650 26.084 -50.129 1.00 0.00 H 
    12810  
    12811 Ignored bad PDB record found on line 90517 
    12812 ATOM 2738e HWS SOL W9852 83.243 25.370 -48.932 1.00 0.00 H 
    12813  
    12814 Duplicate atom serial number found: 27390 
    12815 Duplicate atom serial number found: 27392 
    12816 Duplicate atom serial number found: 27394 
    12817 Duplicate atom serial number found: 27396 
    12818 Duplicate atom serial number found: 27398 
    12819 Ignored bad PDB record found on line 90523 
    12820 ATOM 2739a HWS SOL W9854 -62.387 7.284 -33.436 1.00 0.00 H 
    12821  
    12822 Ignored bad PDB record found on line 90524 
    12823 ATOM 2739c OWS SOL W9855 -82.218 27.609 -29.056 1.00 0.00 O 
    12824  
    12825 Ignored bad PDB record found on line 90525 
    12826 ATOM 2739e HWS SOL W9855 -81.327 27.496 -29.387 1.00 0.00 H 
    12827  
    12828 Ignored bad PDB record found on line 90526 
    12829 ATOM 273a0 HWS SOL W9855 -82.114 27.683 -28.108 1.00 0.00 H 
    12830  
    12831 Ignored bad PDB record found on line 90527 
    12832 ATOM 273a2 OWS SOL W9856 -82.786 19.928 -50.401 1.00 0.00 O 
    12833  
    12834 46 messages similar to the above omitted 
    12835 Duplicate atom serial number found: 27400 
    12836 Duplicate atom serial number found: 27402 
    12837 Duplicate atom serial number found: 27404 
    12838 Duplicate atom serial number found: 27406 
    12839 Duplicate atom serial number found: 27408 
    12840 Ignored bad PDB record found on line 90579 
    12841 ATOM 2740a HWS SOL W9873 -79.878 -2.822 -61.442 1.00 0.00 H 
    12842  
    12843 Ignored bad PDB record found on line 90580 
    12844 ATOM 2740c HWS SOL W9873 -79.112 -2.804 -62.748 1.00 0.00 H 
    12845  
    12846 Ignored bad PDB record found on line 90581 
    12847 ATOM 2740e OWS SOL W9874 -76.937 -5.039 -46.236 1.00 0.00 O 
    12848  
    12849 Duplicate atom serial number found: 27410 
    12850 Duplicate atom serial number found: 27412 
    12851 Duplicate atom serial number found: 27414 
    12852 Duplicate atom serial number found: 27416 
    12853 Duplicate atom serial number found: 27418 
    12854 Ignored bad PDB record found on line 90587 
    12855 ATOM 2741a OWS SOL W9876 -70.229 15.216 -49.575 1.00 0.00 O 
    12856  
    12857 Ignored bad PDB record found on line 90588 
    12858 ATOM 2741c HWS SOL W9876 -70.053 14.275 -49.603 1.00 0.00 H 
    12859  
    12860 Ignored bad PDB record found on line 90589 
    12861 ATOM 2741e HWS SOL W9876 -69.911 15.544 -50.416 1.00 0.00 H 
    12862  
    12863 Duplicate atom serial number found: 27420 
    12864 Duplicate atom serial number found: 27422 
    12865 Duplicate atom serial number found: 27424 
    12866 Duplicate atom serial number found: 27426 
    12867 Duplicate atom serial number found: 27428 
    12868 Ignored bad PDB record found on line 90595 
    12869 ATOM 2742a HWS SOL W9878 78.471 -4.178 -28.415 1.00 0.00 H 
    12870  
    12871 Ignored bad PDB record found on line 90596 
    12872 ATOM 2742c OWS SOL W9879 81.769 -9.280 -51.134 1.00 0.00 O 
    12873  
    12874 Ignored bad PDB record found on line 90597 
    12875 ATOM 2742e HWS SOL W9879 81.474 -8.826 -51.924 1.00 0.00 H 
    12876  
    12877 Duplicate atom serial number found: 27430 
    12878 Duplicate atom serial number found: 27432 
    12879 Duplicate atom serial number found: 27434 
    12880 Duplicate atom serial number found: 27436 
    12881 Duplicate atom serial number found: 27438 
    12882 Ignored bad PDB record found on line 90603 
    12883 ATOM 2743a HWS SOL W9881 -68.488 1.184 -51.118 1.00 0.00 H 
    12884  
    12885 Ignored bad PDB record found on line 90604 
    12886 ATOM 2743c HWS SOL W9881 -67.414 0.120 -51.197 1.00 0.00 H 
    12887  
    12888 Ignored bad PDB record found on line 90605 
    12889 ATOM 2743e OWS SOL W9882 -88.063 14.842 -69.149 1.00 0.00 O 
    12890  
    12891 Duplicate atom serial number found: 27440 
    12892 Duplicate atom serial number found: 27442 
    12893 Duplicate atom serial number found: 27444 
    12894 Duplicate atom serial number found: 27446 
    12895 Duplicate atom serial number found: 27448 
    12896 Ignored bad PDB record found on line 90611 
    12897 ATOM 2744a OWS SOL W9884 -72.323 -7.914 -40.518 1.00 0.00 O 
    12898  
    12899 Ignored bad PDB record found on line 90612 
    12900 ATOM 2744c HWS SOL W9884 -71.490 -7.617 -40.884 1.00 0.00 H 
    12901  
    12902 Ignored bad PDB record found on line 90613 
    12903 ATOM 2744e HWS SOL W9884 -72.104 -8.216 -39.637 1.00 0.00 H 
    12904  
    12905 Duplicate atom serial number found: 27450 
    12906 Duplicate atom serial number found: 27452 
    12907 Duplicate atom serial number found: 27454 
    12908 Duplicate atom serial number found: 27456 
    12909 Duplicate atom serial number found: 27458 
    12910 Ignored bad PDB record found on line 90619 
    12911 ATOM 2745a HWS SOL W9886 -79.202 7.284 -36.821 1.00 0.00 H 
    12912  
    12913 Ignored bad PDB record found on line 90620 
    12914 ATOM 2745c OWS SOL W9887 72.818 -11.988 -50.007 1.00 0.00 O 
    12915  
    12916 Ignored bad PDB record found on line 90621 
    12917 ATOM 2745e HWS SOL W9887 72.539 -11.484 -50.772 1.00 0.00 H 
    12918  
    12919 Duplicate atom serial number found: 27460 
    12920 Duplicate atom serial number found: 27462 
    12921 Duplicate atom serial number found: 27464 
    12922 Duplicate atom serial number found: 27466 
    12923 Duplicate atom serial number found: 27468 
    12924 Ignored bad PDB record found on line 90627 
    12925 ATOM 2746a HWS SOL W9889 -86.182 19.946 -57.058 1.00 0.00 H 
    12926  
    12927 Ignored bad PDB record found on line 90628 
    12928 ATOM 2746c HWS SOL W9889 -85.209 19.643 -58.177 1.00 0.00 H 
    12929  
    12930 Ignored bad PDB record found on line 90629 
    12931 ATOM 2746e OWS SOL W9890 -74.228 12.654 -62.877 1.00 0.00 O 
    12932  
    12933 Duplicate atom serial number found: 27470 
    12934 Duplicate atom serial number found: 27472 
    12935 Duplicate atom serial number found: 27474 
    12936 Duplicate atom serial number found: 27476 
    12937 Duplicate atom serial number found: 27478 
    12938 Ignored bad PDB record found on line 90635 
    12939 ATOM 2747a OWS SOL W9892 -81.789 9.391 -59.981 1.00 0.00 O 
    12940  
    12941 Ignored bad PDB record found on line 90636 
    12942 ATOM 2747c HWS SOL W9892 -82.483 9.293 -59.329 1.00 0.00 H 
    12943  
    12944 Ignored bad PDB record found on line 90637 
    12945 ATOM 2747e HWS SOL W9892 -81.945 10.252 -60.369 1.00 0.00 H 
    12946  
    12947 Duplicate atom serial number found: 27480 
    12948 Duplicate atom serial number found: 27482 
    12949 Duplicate atom serial number found: 27484 
    12950 Duplicate atom serial number found: 27486 
    12951 Duplicate atom serial number found: 27488 
    12952 Ignored bad PDB record found on line 90643 
    12953 ATOM 2748a HWS SOL W9894 -79.141 -13.162 -28.356 1.00 0.00 H 
    12954  
    12955 Ignored bad PDB record found on line 90644 
    12956 ATOM 2748c OWS SOL W9895 -84.596 3.226 -47.267 1.00 0.00 O 
    12957  
    12958 Ignored bad PDB record found on line 90645 
    12959 ATOM 2748e HWS SOL W9895 -85.217 2.533 -47.490 1.00 0.00 H 
    12960  
    12961 Duplicate atom serial number found: 27490 
    12962 Duplicate atom serial number found: 27492 
    12963 Duplicate atom serial number found: 27494 
    12964 Duplicate atom serial number found: 27496 
    12965 Duplicate atom serial number found: 27498 
    12966 Ignored bad PDB record found on line 90651 
    12967 ATOM 2749a HWS SOL W9897 -80.266 4.152 -41.577 1.00 0.00 H 
    12968  
    12969 Ignored bad PDB record found on line 90652 
    12970 ATOM 2749c HWS SOL W9897 -80.818 5.544 -41.798 1.00 0.00 H 
    12971  
    12972 Ignored bad PDB record found on line 90653 
    12973 ATOM 2749e OWS SOL W9898 -88.280 -19.505 -31.051 1.00 0.00 O 
    12974  
    12975 Ignored bad PDB record found on line 90654 
    12976 ATOM 274a0 HWS SOL W9898 -87.631 -20.201 -31.155 1.00 0.00 H 
    12977  
    12978 Ignored bad PDB record found on line 90655 
    12979 ATOM 274a2 HWS SOL W9898 -87.940 -18.966 -30.336 1.00 0.00 H 
    12980  
    12981 46 messages similar to the above omitted 
    12982 Duplicate atom serial number found: 27500 
    12983 Duplicate atom serial number found: 27502 
    12984 Duplicate atom serial number found: 27504 
    12985 Duplicate atom serial number found: 27506 
    12986 Duplicate atom serial number found: 27508 
    12987 Ignored bad PDB record found on line 90707 
    12988 ATOM 2750a OWS SOL W9917 -76.110 14.188 -48.623 1.00 0.00 O 
    12989  
    12990 Ignored bad PDB record found on line 90708 
    12991 ATOM 2750c HWS SOL W9917 -75.707 14.485 -49.439 1.00 0.00 H 
    12992  
    12993 Ignored bad PDB record found on line 90709 
    12994 ATOM 2750e HWS SOL W9917 -77.046 14.146 -48.820 1.00 0.00 H 
    12995  
    12996 Duplicate atom serial number found: 27510 
    12997 Duplicate atom serial number found: 27512 
    12998 Duplicate atom serial number found: 27514 
    12999 Duplicate atom serial number found: 27516 
    13000 Duplicate atom serial number found: 27518 
    13001 Ignored bad PDB record found on line 90715 
    13002 ATOM 2751a HWS SOL W9919 89.165 10.601 -41.789 1.00 0.00 H 
    13003  
    13004 Ignored bad PDB record found on line 90716 
    13005 ATOM 2751c OWS SOL W9920 86.007 3.932 -62.903 1.00 0.00 O 
    13006  
    13007 Ignored bad PDB record found on line 90717 
    13008 ATOM 2751e HWS SOL W9920 86.298 3.557 -63.734 1.00 0.00 H 
    13009  
    13010 Duplicate atom serial number found: 27520 
    13011 Duplicate atom serial number found: 27522 
    13012 Duplicate atom serial number found: 27524 
    13013 Duplicate atom serial number found: 27526 
    13014 Duplicate atom serial number found: 27528 
    13015 Ignored bad PDB record found on line 90723 
    13016 ATOM 2752a HWS SOL W9922 -83.524 4.481 -39.834 1.00 0.00 H 
    13017  
    13018 Ignored bad PDB record found on line 90724 
    13019 ATOM 2752c HWS SOL W9922 -82.103 4.048 -40.124 1.00 0.00 H 
    13020  
    13021 Ignored bad PDB record found on line 90725 
    13022 ATOM 2752e OWS SOL W9923 -70.575 24.659 -47.748 1.00 0.00 O 
    13023  
    13024 Duplicate atom serial number found: 27530 
    13025 Duplicate atom serial number found: 27532 
    13026 Duplicate atom serial number found: 27534 
    13027 Duplicate atom serial number found: 27536 
    13028 Duplicate atom serial number found: 27538 
    13029 Ignored bad PDB record found on line 90731 
    13030 ATOM 2753a OWS SOL W9925 89.436 -15.573 -53.097 1.00 0.00 O 
    13031  
    13032 Ignored bad PDB record found on line 90732 
    13033 ATOM 2753c HWS SOL W9925 90.326 -15.424 -53.415 1.00 0.00 H 
    13034  
    13035 Ignored bad PDB record found on line 90733 
    13036 ATOM 2753e HWS SOL W9925 89.060 -16.196 -53.719 1.00 0.00 H 
    13037  
    13038 Duplicate atom serial number found: 27540 
    13039 Duplicate atom serial number found: 27542 
    13040 Duplicate atom serial number found: 27544 
    13041 Duplicate atom serial number found: 27546 
    13042 Duplicate atom serial number found: 27548 
    13043 Ignored bad PDB record found on line 90739 
    13044 ATOM 2754a HWS SOL W9927 87.112 12.205 -60.664 1.00 0.00 H 
    13045  
    13046 Ignored bad PDB record found on line 90740 
    13047 ATOM 2754c OWS SOL W9928 -72.230 -0.263 -39.197 1.00 0.00 O 
    13048  
    13049 Ignored bad PDB record found on line 90741 
    13050 ATOM 2754e HWS SOL W9928 -73.065 -0.508 -39.596 1.00 0.00 H 
    13051  
    13052 Duplicate atom serial number found: 27550 
    13053 Duplicate atom serial number found: 27552 
    13054 Duplicate atom serial number found: 27554 
    13055 Duplicate atom serial number found: 27556 
    13056 Duplicate atom serial number found: 27558 
    13057 Ignored bad PDB record found on line 90747 
    13058 ATOM 2755a HWS SOL W9930 88.665 -19.095 -58.159 1.00 0.00 H 
    13059  
    13060 Ignored bad PDB record found on line 90748 
    13061 ATOM 2755c HWS SOL W9930 87.919 -20.412 -58.127 1.00 0.00 H 
    13062  
    13063 Ignored bad PDB record found on line 90749 
    13064 ATOM 2755e OWS SOL W9931 -82.566 14.525 -42.668 1.00 0.00 O 
    13065  
    13066 Duplicate atom serial number found: 27560 
    13067 Duplicate atom serial number found: 27562 
    13068 Duplicate atom serial number found: 27564 
    13069 Duplicate atom serial number found: 27566 
    13070 Duplicate atom serial number found: 27568 
    13071 Ignored bad PDB record found on line 90755 
    13072 ATOM 2756a OWS SOL W9933 -71.088 -13.805 -37.333 1.00 0.00 O 
    13073  
    13074 Ignored bad PDB record found on line 90756 
    13075 ATOM 2756c HWS SOL W9933 -70.738 -14.234 -36.552 1.00 0.00 H 
    13076  
    13077 Ignored bad PDB record found on line 90757 
    13078 ATOM 2756e HWS SOL W9933 -70.361 -13.279 -37.665 1.00 0.00 H 
    13079  
    13080 Duplicate atom serial number found: 27570 
    13081 Duplicate atom serial number found: 27572 
    13082 Duplicate atom serial number found: 27574 
    13083 Duplicate atom serial number found: 27576 
    13084 Duplicate atom serial number found: 27578 
    13085 Ignored bad PDB record found on line 90763 
    13086 ATOM 2757a HWS SOL W9935 -79.221 18.183 -59.337 1.00 0.00 H 
    13087  
    13088 Ignored bad PDB record found on line 90764 
    13089 ATOM 2757c OWS SOL W9936 81.592 -8.762 -69.211 1.00 0.00 O 
    13090  
    13091 Ignored bad PDB record found on line 90765 
    13092 ATOM 2757e HWS SOL W9936 81.176 -9.264 -68.511 1.00 0.00 H 
    13093  
    13094 Duplicate atom serial number found: 27580 
    13095 Duplicate atom serial number found: 27582 
    13096 Duplicate atom serial number found: 27584 
    13097 Duplicate atom serial number found: 27586 
    13098 Duplicate atom serial number found: 27588 
    13099 Ignored bad PDB record found on line 90771 
    13100 ATOM 2758a HWS SOL W9938 -83.720 -1.508 -43.903 1.00 0.00 H 
    13101  
    13102 Ignored bad PDB record found on line 90772 
    13103 ATOM 2758c HWS SOL W9938 -83.531 -0.695 -42.639 1.00 0.00 H 
    13104  
    13105 Ignored bad PDB record found on line 90773 
    13106 ATOM 2758e OWS SOL W9939 -80.894 8.456 -62.821 1.00 0.00 O 
    13107  
    13108 Duplicate atom serial number found: 27590 
    13109 Duplicate atom serial number found: 27592 
    13110 Duplicate atom serial number found: 27594 
    13111 Duplicate atom serial number found: 27596 
    13112 Duplicate atom serial number found: 27598 
    13113 Ignored bad PDB record found on line 90779 
    13114 ATOM 2759a OWS SOL W9941 -78.038 -24.043 -43.301 1.00 0.00 O 
    13115  
    13116 Ignored bad PDB record found on line 90780 
    13117 ATOM 2759c HWS SOL W9941 -78.018 -23.097 -43.445 1.00 0.00 H 
    13118  
    13119 Ignored bad PDB record found on line 90781 
    13120 ATOM 2759e HWS SOL W9941 -78.970 -24.257 -43.246 1.00 0.00 H 
    13121  
    13122 Ignored bad PDB record found on line 90782 
    13123 ATOM 275a0 OWS SOL W9942 -78.460 21.600 -49.680 1.00 0.00 O 
    13124  
    13125 Ignored bad PDB record found on line 90783 
    13126 ATOM 275a2 HWS SOL W9942 -78.358 22.484 -49.327 1.00 0.00 H 
    13127  
    13128 46 messages similar to the above omitted 
    13129 Duplicate atom serial number found: 27600 
    13130 Duplicate atom serial number found: 27602 
    13131 Duplicate atom serial number found: 27604 
    13132 Duplicate atom serial number found: 27606 
    13133 Duplicate atom serial number found: 27608 
    13134 Ignored bad PDB record found on line 90835 
    13135 ATOM 2760a HWS SOL W9959 -87.958 5.519 -56.887 1.00 0.00 H 
    13136  
    13137 Ignored bad PDB record found on line 90836 
    13138 ATOM 2760c OWS SOL W9960 -67.933 4.037 -49.940 1.00 0.00 O 
    13139  
    13140 Ignored bad PDB record found on line 90837 
    13141 ATOM 2760e HWS SOL W9960 -67.029 4.331 -49.833 1.00 0.00 H 
    13142  
    13143 Duplicate atom serial number found: 27610 
    13144 Duplicate atom serial number found: 27612 
    13145 Duplicate atom serial number found: 27614 
    13146 Duplicate atom serial number found: 27616 
    13147 Duplicate atom serial number found: 27618 
    13148 Ignored bad PDB record found on line 90843 
    13149 ATOM 2761a HWS SOL W9962 -70.258 11.712 -49.840 1.00 0.00 H 
    13150  
    13151 Ignored bad PDB record found on line 90844 
    13152 ATOM 2761c HWS SOL W9962 -68.954 12.217 -49.261 1.00 0.00 H 
    13153  
    13154 Ignored bad PDB record found on line 90845 
    13155 ATOM 2761e OWS SOL W9963 -90.074 -18.198 -58.803 1.00 0.00 O 
    13156  
    13157 Duplicate atom serial number found: 27620 
    13158 Duplicate atom serial number found: 27622 
    13159 Duplicate atom serial number found: 27624 
    13160 Duplicate atom serial number found: 27626 
    13161 Duplicate atom serial number found: 27628 
    13162 Ignored bad PDB record found on line 90851 
    13163 ATOM 2762a OWS SOL W9965 -76.410 4.114 -29.952 1.00 0.00 O 
    13164  
    13165 Ignored bad PDB record found on line 90852 
    13166 ATOM 2762c HWS SOL W9965 -76.012 4.722 -30.575 1.00 0.00 H 
    13167  
    13168 Ignored bad PDB record found on line 90853 
    13169 ATOM 2762e HWS SOL W9965 -77.344 4.318 -29.981 1.00 0.00 H 
    13170  
    13171 Duplicate atom serial number found: 27630 
    13172 Duplicate atom serial number found: 27632 
    13173 Duplicate atom serial number found: 27634 
    13174 Duplicate atom serial number found: 27636 
    13175 Duplicate atom serial number found: 27638 
    13176 Ignored bad PDB record found on line 90859 
    13177 ATOM 2763a HWS SOL W9967 -77.654 2.702 -60.173 1.00 0.00 H 
    13178  
    13179 Ignored bad PDB record found on line 90860 
    13180 ATOM 2763c OWS SOL W9968 -64.338 11.343 -61.208 1.00 0.00 O 
    13181  
    13182 Ignored bad PDB record found on line 90861 
    13183 ATOM 2763e HWS SOL W9968 -65.236 11.034 -61.329 1.00 0.00 H 
    13184  
    13185 Duplicate atom serial number found: 27640 
    13186 Duplicate atom serial number found: 27642 
    13187 Duplicate atom serial number found: 27644 
    13188 Duplicate atom serial number found: 27646 
    13189 Duplicate atom serial number found: 27648 
    13190 Ignored bad PDB record found on line 90867 
    13191 ATOM 2764a HWS SOL W9970 -86.964 -2.941 -21.221 1.00 0.00 H 
    13192  
    13193 Ignored bad PDB record found on line 90868 
    13194 ATOM 2764c HWS SOL W9970 -86.672 -2.244 -22.532 1.00 0.00 H 
    13195  
    13196 Ignored bad PDB record found on line 90869 
    13197 ATOM 2764e OWS SOL W9971 -78.143 -4.166 -77.324 1.00 0.00 O 
    13198  
    13199 Duplicate atom serial number found: 27650 
    13200 Duplicate atom serial number found: 27652 
    13201 Duplicate atom serial number found: 27654 
    13202 Duplicate atom serial number found: 27656 
    13203 Duplicate atom serial number found: 27658 
    13204 Ignored bad PDB record found on line 90875 
    13205 ATOM 2765a OWS SOL W9973 -78.173 17.127 -50.547 1.00 0.00 O 
    13206  
    13207 Ignored bad PDB record found on line 90876 
    13208 ATOM 2765c HWS SOL W9973 -77.514 17.487 -49.953 1.00 0.00 H 
    13209  
    13210 Ignored bad PDB record found on line 90877 
    13211 ATOM 2765e HWS SOL W9973 -77.728 16.404 -50.990 1.00 0.00 H 
    13212  
    13213 Duplicate atom serial number found: 27660 
    13214 Duplicate atom serial number found: 27662 
    13215 Duplicate atom serial number found: 27664 
    13216 Duplicate atom serial number found: 27666 
    13217 Duplicate atom serial number found: 27668 
    13218 Ignored bad PDB record found on line 90883 
    13219 ATOM 2766a HWS SOL W9975 -84.594 20.849 -53.206 1.00 0.00 H 
    13220  
    13221 Ignored bad PDB record found on line 90884 
    13222 ATOM 2766c OWS SOL W9976 88.358 -0.606 -65.101 1.00 0.00 O 
    13223  
    13224 Ignored bad PDB record found on line 90885 
    13225 ATOM 2766e HWS SOL W9976 88.822 -0.482 -65.929 1.00 0.00 H 
    13226  
    13227 Duplicate atom serial number found: 27670 
    13228 Duplicate atom serial number found: 27672 
    13229 Duplicate atom serial number found: 27674 
    13230 Duplicate atom serial number found: 27676 
    13231 Duplicate atom serial number found: 27678 
    13232 Ignored bad PDB record found on line 90891 
    13233 ATOM 2767a HWS SOL W9978 -85.259 26.645 -51.452 1.00 0.00 H 
    13234  
    13235 Ignored bad PDB record found on line 90892 
    13236 ATOM 2767c HWS SOL W9978 -85.047 25.171 -51.721 1.00 0.00 H 
    13237  
    13238 Ignored bad PDB record found on line 90893 
    13239 ATOM 2767e OWS SOL W9979 -68.526 -1.679 -33.652 1.00 0.00 O 
    13240  
    13241 Duplicate atom serial number found: 27680 
    13242 Duplicate atom serial number found: 27682 
    13243 Duplicate atom serial number found: 27684 
    13244 Duplicate atom serial number found: 27686 
    13245 Duplicate atom serial number found: 27688 
    13246 Ignored bad PDB record found on line 90899 
    13247 ATOM 2768a OWS SOL W9981 86.895 -5.054 -63.343 1.00 0.00 O 
    13248  
    13249 Ignored bad PDB record found on line 90900 
    13250 ATOM 2768c HWS SOL W9981 87.119 -4.434 -64.038 1.00 0.00 H 
    13251  
    13252 Ignored bad PDB record found on line 90901 
    13253 ATOM 2768e HWS SOL W9981 87.686 -5.111 -62.808 1.00 0.00 H 
    13254  
    13255 Duplicate atom serial number found: 27690 
    13256 Duplicate atom serial number found: 27692 
    13257 Duplicate atom serial number found: 27694 
    13258 Duplicate atom serial number found: 27696 
    13259 Duplicate atom serial number found: 27698 
    13260 Ignored bad PDB record found on line 90907 
    13261 ATOM 2769a HWS SOL W9983 88.043 21.524 -56.382 1.00 0.00 H 
    13262  
    13263 Ignored bad PDB record found on line 90908 
    13264 ATOM 2769c OWS SOL W9984 -86.968 14.973 -32.551 1.00 0.00 O 
    13265  
    13266 Ignored bad PDB record found on line 90909 
    13267 ATOM 2769e HWS SOL W9984 -86.440 15.478 -33.169 1.00 0.00 H 
    13268  
    13269 Ignored bad PDB record found on line 90910 
    13270 ATOM 276a0 HWS SOL W9984 -86.392 14.264 -32.266 1.00 0.00 H 
    13271  
    13272 Ignored bad PDB record found on line 90911 
    13273 ATOM 276a2 OWS SOL W9985 -60.167 -7.933 -26.045 1.00 0.00 O 
    13274  
    13275 46 messages similar to the above omitted 
    13276 Duplicate atom serial number found: 27700 
    13277 Duplicate atom serial number found: 27702 
    13278 Duplicate atom serial number found: 27704 
    13279 Duplicate atom serial number found: 27706 
    13280 Duplicate atom serial number found: 27708 
    13281 Ignored bad PDB record found on line 90963 
    13282 ATOM 2770a HWS SOL W2712 -89.228 25.754 -43.826 1.00 0.00 H 
    13283  
    13284 Ignored bad PDB record found on line 90964 
    13285 ATOM 2770c HWS SOL W2712 -89.545 26.878 -44.789 1.00 0.00 H 
    13286  
    13287 Ignored bad PDB record found on line 90965 
    13288 ATOM 2770e OWS SOL W2713 -74.021 -10.305 -45.656 1.00 0.00 O 
    13289  
    13290 Duplicate atom serial number found: 27710 
    13291 Duplicate atom serial number found: 27712 
    13292 Duplicate atom serial number found: 27714 
    13293 Duplicate atom serial number found: 27716 
    13294 Duplicate atom serial number found: 27718 
    13295 Ignored bad PDB record found on line 90971 
    13296 ATOM 2771a OWS SOL W2715 -89.298 -3.099 -67.034 1.00 0.00 O 
    13297  
    13298 Ignored bad PDB record found on line 90972 
    13299 ATOM 2771c HWS SOL W2715 -89.445 -3.230 -67.971 1.00 0.00 H 
    13300  
    13301 Ignored bad PDB record found on line 90973 
    13302 ATOM 2771e HWS SOL W2715 -89.570 -2.195 -66.873 1.00 0.00 H 
    13303  
    13304 Duplicate atom serial number found: 27720 
    13305 Duplicate atom serial number found: 27722 
    13306 Duplicate atom serial number found: 27724 
    13307 Duplicate atom serial number found: 27726 
    13308 Duplicate atom serial number found: 27728 
    13309 Ignored bad PDB record found on line 90979 
    13310 ATOM 2772a HWS SOL W2717 -82.219 14.360 -46.429 1.00 0.00 H 
    13311  
    13312 Ignored bad PDB record found on line 90980 
    13313 ATOM 2772c OWS SOL W2718 -61.654 -2.056 -44.888 1.00 0.00 O 
    13314  
    13315 Ignored bad PDB record found on line 90981 
    13316 ATOM 2772e HWS SOL W2718 -61.680 -2.529 -44.056 1.00 0.00 H 
    13317  
    13318 Duplicate atom serial number found: 27730 
    13319 Duplicate atom serial number found: 27732 
    13320 Duplicate atom serial number found: 27734 
    13321 Duplicate atom serial number found: 27736 
    13322 Ignored bad PDB record found on line 90986 
    13323 ATOM 27738 OWS SOL W271a 76.738 -3.315 -50.551 1.00 0.00 O 
    13324  
    13325 Ignored bad PDB record found on line 90987 
    13326 ATOM 2773a HWS SOL W271a 77.590 -3.288 -50.115 1.00 0.00 H 
    13327  
    13328 Ignored bad PDB record found on line 90988 
    13329 ATOM 2773c HWS SOL W271a 76.222 -3.930 -50.031 1.00 0.00 H 
    13330  
    13331 Ignored bad PDB record found on line 90989 
    13332 ATOM 2773e OWS SOL W271b -72.292 8.002 -37.142 1.00 0.00 O 
    13333  
    13334 Ignored bad PDB record found on line 90990 
    13335 ATOM 27740 HWS SOL W271b -71.748 7.857 -36.368 1.00 0.00 H 
    13336  
    13337 15 messages similar to the above omitted 
    13338 Duplicate atom serial number found: 27760 
    13339 Duplicate atom serial number found: 27762 
    13340 Duplicate atom serial number found: 27764 
    13341 Duplicate atom serial number found: 27766 
    13342 Duplicate atom serial number found: 27768 
    13343 Ignored bad PDB record found on line 91011 
    13344 ATOM 2776a HWS SOL W2722 76.857 -2.165 -64.941 1.00 0.00 H 
    13345  
    13346 Ignored bad PDB record found on line 91012 
    13347 ATOM 2776c HWS SOL W2722 76.236 -0.785 -64.890 1.00 0.00 H 
    13348  
    13349 Ignored bad PDB record found on line 91013 
    13350 ATOM 2776e OWS SOL W2723 86.624 -4.067 -59.928 1.00 0.00 O 
    13351  
    13352 Duplicate atom serial number found: 27770 
    13353 Duplicate atom serial number found: 27772 
    13354 Duplicate atom serial number found: 27774 
    13355 Duplicate atom serial number found: 27776 
    13356 Duplicate atom serial number found: 27778 
    13357 Ignored bad PDB record found on line 91019 
    13358 ATOM 2777a OWS SOL W2725 -61.809 -2.205 -59.474 1.00 0.00 O 
    13359  
    13360 Ignored bad PDB record found on line 91020 
    13361 ATOM 2777c HWS SOL W2725 -61.323 -1.944 -60.256 1.00 0.00 H 
    13362  
    13363 Ignored bad PDB record found on line 91021 
    13364 ATOM 2777e HWS SOL W2725 -62.533 -2.735 -59.806 1.00 0.00 H 
    13365  
    13366 Duplicate atom serial number found: 27780 
    13367 Duplicate atom serial number found: 27782 
    13368 Duplicate atom serial number found: 27784 
    13369 Duplicate atom serial number found: 27786 
    13370 Duplicate atom serial number found: 27788 
    13371 Ignored bad PDB record found on line 91027 
    13372 ATOM 2778a HWS SOL W2727 -80.151 24.519 -61.239 1.00 0.00 H 
    13373  
    13374 Ignored bad PDB record found on line 91028 
    13375 ATOM 2778c OWS SOL W2728 -57.950 -6.113 -85.749 1.00 0.00 O 
    13376  
    13377 Ignored bad PDB record found on line 91029 
    13378 ATOM 2778e HWS SOL W2728 -58.477 -6.362 -86.508 1.00 0.00 H 
    13379  
    13380 Duplicate atom serial number found: 27790 
    13381 Duplicate atom serial number found: 27792 
    13382 Duplicate atom serial number found: 27794 
    13383 Duplicate atom serial number found: 27796 
    13384 Ignored bad PDB record found on line 91034 
    13385 ATOM 27798 OWS SOL W272a -86.893 -29.974 -27.856 1.00 0.00 O 
    13386  
    13387 Ignored bad PDB record found on line 91035 
    13388 ATOM 2779a HWS SOL W272a -86.612 -30.735 -28.364 1.00 0.00 H 
    13389  
    13390 Ignored bad PDB record found on line 91036 
    13391 ATOM 2779c HWS SOL W272a -87.843 -30.068 -27.788 1.00 0.00 H 
    13392  
    13393 Ignored bad PDB record found on line 91037 
    13394 ATOM 2779e OWS SOL W272b -76.534 3.288 -33.520 1.00 0.00 O 
    13395  
    13396 Ignored bad PDB record found on line 91038 
    13397 ATOM 277a0 HWS SOL W272b -76.086 2.473 -33.294 1.00 0.00 H 
    13398  
    13399 58 messages similar to the above omitted 
    13400 Duplicate atom serial number found: 27816 
    13401 Duplicate atom serial number found: 27818 
    13402 Ignored bad PDB record found on line 91099 
    13403 ATOM 2781a HWS SOL W2740 -68.491 15.315 -32.754 1.00 0.00 H 
    13404  
    13405 Ignored bad PDB record found on line 91100 
    13406 ATOM 2781c OWS SOL W2741 -78.072 -7.015 -59.541 1.00 0.00 O 
    13407  
    13408 Ignored bad PDB record found on line 91101 
    13409 ATOM 2781e HWS SOL W2741 -77.228 -6.828 -59.130 1.00 0.00 H 
    13410  
    13411 Duplicate atom serial number found: 27820 
    13412 Duplicate atom serial number found: 27822 
    13413 Duplicate atom serial number found: 27824 
    13414 Duplicate atom serial number found: 27826 
    13415 Duplicate atom serial number found: 27828 
    13416 Ignored bad PDB record found on line 91107 
    13417 ATOM 2782a HWS SOL W2743 -75.491 10.636 -56.381 1.00 0.00 H 
    13418  
    13419 Ignored bad PDB record found on line 91108 
    13420 ATOM 2782c HWS SOL W2743 -74.997 9.312 -55.837 1.00 0.00 H 
    13421  
    13422 Ignored bad PDB record found on line 91109 
    13423 ATOM 2782e OWS SOL W2744 -70.773 17.119 -24.025 1.00 0.00 O 
    13424  
    13425 Duplicate atom serial number found: 27830 
    13426 Duplicate atom serial number found: 27832 
    13427 Duplicate atom serial number found: 27834 
    13428 Duplicate atom serial number found: 27836 
    13429 Duplicate atom serial number found: 27838 
    13430 Ignored bad PDB record found on line 91115 
    13431 ATOM 2783a OWS SOL W2746 -87.138 22.409 -55.739 1.00 0.00 O 
    13432  
    13433 Ignored bad PDB record found on line 91116 
    13434 ATOM 2783c HWS SOL W2746 -87.284 23.185 -56.280 1.00 0.00 H 
    13435  
    13436 Ignored bad PDB record found on line 91117 
    13437 ATOM 2783e HWS SOL W2746 -87.884 21.840 -55.929 1.00 0.00 H 
    13438  
    13439 Duplicate atom serial number found: 27840 
    13440 Duplicate atom serial number found: 27842 
    13441 Duplicate atom serial number found: 27844 
    13442 Duplicate atom serial number found: 27846 
    13443 Duplicate atom serial number found: 27848 
    13444 Ignored bad PDB record found on line 91123 
    13445 ATOM 2784a HWS SOL W2748 -60.930 5.880 -37.290 1.00 0.00 H 
    13446  
    13447 Ignored bad PDB record found on line 91124 
    13448 ATOM 2784c OWS SOL W2749 -79.913 20.446 -79.122 1.00 0.00 O 
    13449  
    13450 Ignored bad PDB record found on line 91125 
    13451 ATOM 2784e HWS SOL W2749 -79.504 19.787 -78.561 1.00 0.00 H 
    13452  
    13453 Duplicate atom serial number found: 27850 
    13454 Ignored bad PDB record found on line 91127 
    13455 ATOM 27852 OWS SOL W274a -83.636 10.162 -55.455 1.00 0.00 O 
    13456  
    13457 Ignored bad PDB record found on line 91128 
    13458 ATOM 27854 HWS SOL W274a -84.565 10.011 -55.284 1.00 0.00 H 
    13459  
    13460 Ignored bad PDB record found on line 91129 
    13461 ATOM 27856 HWS SOL W274a -83.187 9.771 -54.706 1.00 0.00 H 
    13462  
    13463 Ignored bad PDB record found on line 91130 
    13464 ATOM 27858 OWS SOL W274b -70.480 18.929 -60.463 1.00 0.00 O 
    13465  
    13466 Ignored bad PDB record found on line 91131 
    13467 ATOM 2785a HWS SOL W274b -71.063 19.597 -60.823 1.00 0.00 H 
    13468  
    13469 13 messages similar to the above omitted 
    13470 Duplicate atom serial number found: 27876 
    13471 Duplicate atom serial number found: 27878 
    13472 Ignored bad PDB record found on line 91147 
    13473 ATOM 2787a HWS SOL W2750 -67.221 -3.392 -59.380 1.00 0.00 H 
    13474  
    13475 Ignored bad PDB record found on line 91148 
    13476 ATOM 2787c OWS SOL W2751 -76.658 7.663 -48.264 1.00 0.00 O 
    13477  
    13478 Ignored bad PDB record found on line 91149 
    13479 ATOM 2787e HWS SOL W2751 -77.043 6.886 -47.859 1.00 0.00 H 
    13480  
    13481 Duplicate atom serial number found: 27880 
    13482 Duplicate atom serial number found: 27882 
    13483 Duplicate atom serial number found: 27884 
    13484 Duplicate atom serial number found: 27886 
    13485 Duplicate atom serial number found: 27888 
    13486 Ignored bad PDB record found on line 91155 
    13487 ATOM 2788a HWS SOL W2753 -79.739 -0.211 -40.298 1.00 0.00 H 
    13488  
    13489 Ignored bad PDB record found on line 91156 
    13490 ATOM 2788c HWS SOL W2753 -79.127 0.981 -39.594 1.00 0.00 H 
    13491  
    13492 Ignored bad PDB record found on line 91157 
    13493 ATOM 2788e OWS SOL W2754 84.361 5.586 -51.129 1.00 0.00 O 
    13494  
    13495 Duplicate atom serial number found: 27890 
    13496 Duplicate atom serial number found: 27892 
    13497 Duplicate atom serial number found: 27894 
    13498 Duplicate atom serial number found: 27896 
    13499 Duplicate atom serial number found: 27898 
    13500 Ignored bad PDB record found on line 91163 
    13501 ATOM 2789a OWS SOL W2756 -81.883 0.832 -61.704 1.00 0.00 O 
    13502  
    13503 Ignored bad PDB record found on line 91164 
    13504 ATOM 2789c HWS SOL W2756 -81.887 1.312 -62.533 1.00 0.00 H 
    13505  
    13506 Ignored bad PDB record found on line 91165 
    13507 ATOM 2789e HWS SOL W2756 -81.902 1.513 -61.032 1.00 0.00 H 
    13508  
    13509 Ignored bad PDB record found on line 91166 
    13510 ATOM 278a0 OWS SOL W2757 -54.499 10.973 -64.675 1.00 0.00 O 
    13511  
    13512 Ignored bad PDB record found on line 91167 
    13513 ATOM 278a2 HWS SOL W2757 -54.039 10.307 -64.164 1.00 0.00 H 
    13514  
    13515 46 messages similar to the above omitted 
    13516 Duplicate atom serial number found: 27900 
    13517 Duplicate atom serial number found: 27902 
    13518 Duplicate atom serial number found: 27904 
    13519 Duplicate atom serial number found: 27906 
    13520 Duplicate atom serial number found: 27908 
    13521 Ignored bad PDB record found on line 91219 
    13522 ATOM 2790a HWS SOL W2768 89.182 28.514 -55.201 1.00 0.00 H 
    13523  
    13524 Ignored bad PDB record found on line 91220 
    13525 ATOM 2790c OWS SOL W2769 -86.120 29.457 -41.868 1.00 0.00 O 
    13526  
    13527 Ignored bad PDB record found on line 91221 
    13528 ATOM 2790e HWS SOL W2769 -86.675 29.330 -41.098 1.00 0.00 H 
    13529  
    13530 Duplicate atom serial number found: 27910 
    13531 Ignored bad PDB record found on line 91223 
    13532 ATOM 27912 OWS SOL W276a -88.292 12.668 -51.211 1.00 0.00 O 
    13533  
    13534 Ignored bad PDB record found on line 91224 
    13535 ATOM 27914 HWS SOL W276a -88.900 12.354 -50.542 1.00 0.00 H 
    13536  
    13537 Ignored bad PDB record found on line 91225 
    13538 ATOM 27916 HWS SOL W276a -88.666 13.498 -51.504 1.00 0.00 H 
    13539  
    13540 Ignored bad PDB record found on line 91226 
    13541 ATOM 27918 OWS SOL W276b -66.169 3.578 -47.389 1.00 0.00 O 
    13542  
    13543 Ignored bad PDB record found on line 91227 
    13544 ATOM 2791a HWS SOL W276b -66.874 3.702 -48.024 1.00 0.00 H 
    13545  
    13546 13 messages similar to the above omitted 
    13547 Duplicate atom serial number found: 27936 
    13548 Duplicate atom serial number found: 27938 
    13549 Ignored bad PDB record found on line 91243 
    13550 ATOM 2793a HWS SOL W2770 -75.121 12.539 -46.166 1.00 0.00 H 
    13551  
    13552 Ignored bad PDB record found on line 91244 
    13553 ATOM 2793c OWS SOL W2771 -62.652 2.053 -50.355 1.00 0.00 O 
    13554  
    13555 Ignored bad PDB record found on line 91245 
    13556 ATOM 2793e HWS SOL W2771 -63.015 1.169 -50.304 1.00 0.00 H 
    13557  
    13558 Duplicate atom serial number found: 27940 
    13559 Duplicate atom serial number found: 27942 
    13560 Duplicate atom serial number found: 27944 
    13561 Duplicate atom serial number found: 27946 
    13562 Duplicate atom serial number found: 27948 
    13563 Ignored bad PDB record found on line 91251 
    13564 ATOM 2794a HWS SOL W2773 90.199 7.173 -48.229 1.00 0.00 H 
    13565  
    13566 Ignored bad PDB record found on line 91252 
    13567 ATOM 2794c HWS SOL W2773 88.695 7.053 -48.350 1.00 0.00 H 
    13568  
    13569 Ignored bad PDB record found on line 91253 
    13570 ATOM 2794e OWS SOL W2774 -89.857 14.285 -47.202 1.00 0.00 O 
    13571  
    13572 Duplicate atom serial number found: 27950 
    13573 Duplicate atom serial number found: 27952 
    13574 Duplicate atom serial number found: 27954 
    13575 Duplicate atom serial number found: 27956 
    13576 Duplicate atom serial number found: 27958 
    13577 Ignored bad PDB record found on line 91259 
    13578 ATOM 2795a OWS SOL W2776 -72.701 14.412 -55.295 1.00 0.00 O 
    13579  
    13580 Ignored bad PDB record found on line 91260 
    13581 ATOM 2795c HWS SOL W2776 -72.362 13.532 -55.459 1.00 0.00 H 
    13582  
    13583 Ignored bad PDB record found on line 91261 
    13584 ATOM 2795e HWS SOL W2776 -72.154 14.984 -55.834 1.00 0.00 H 
    13585  
    13586 Duplicate atom serial number found: 27960 
    13587 Duplicate atom serial number found: 27962 
    13588 Duplicate atom serial number found: 27964 
    13589 Duplicate atom serial number found: 27966 
    13590 Duplicate atom serial number found: 27968 
    13591 Ignored bad PDB record found on line 91267 
    13592 ATOM 2796a HWS SOL W2778 -74.935 21.788 -59.337 1.00 0.00 H 
    13593  
    13594 Ignored bad PDB record found on line 91268 
    13595 ATOM 2796c OWS SOL W2779 -72.889 -10.814 -41.658 1.00 0.00 O 
    13596  
    13597 Ignored bad PDB record found on line 91269 
    13598 ATOM 2796e HWS SOL W2779 -72.752 -9.868 -41.711 1.00 0.00 H 
    13599  
    13600 Duplicate atom serial number found: 27970 
    13601 Ignored bad PDB record found on line 91271 
    13602 ATOM 27972 OWS SOL W277a -76.954 -5.859 -33.674 1.00 0.00 O 
    13603  
    13604 Ignored bad PDB record found on line 91272 
    13605 ATOM 27974 HWS SOL W277a -77.802 -5.596 -34.033 1.00 0.00 H 
    13606  
    13607 Ignored bad PDB record found on line 91273 
    13608 ATOM 27976 HWS SOL W277a -76.768 -6.700 -34.092 1.00 0.00 H 
    13609  
    13610 Ignored bad PDB record found on line 91274 
    13611 ATOM 27978 OWS SOL W277b -86.991 10.164 -66.109 1.00 0.00 O 
    13612  
    13613 Ignored bad PDB record found on line 91275 
    13614 ATOM 2797a HWS SOL W277b -87.001 10.818 -66.808 1.00 0.00 H 
    13615  
    13616 13 messages similar to the above omitted 
    13617 Duplicate atom serial number found: 27996 
    13618 Duplicate atom serial number found: 27998 
    13619 Ignored bad PDB record found on line 91291 
    13620 ATOM 2799a HWS SOL W2780 -82.865 11.004 -36.734 1.00 0.00 H 
    13621  
    13622 Ignored bad PDB record found on line 91292 
    13623 ATOM 2799c OWS SOL W2781 -89.437 10.418 -13.999 1.00 0.00 O 
    13624  
    13625 Ignored bad PDB record found on line 91293 
    13626 ATOM 2799e HWS SOL W2781 -88.687 9.832 -14.100 1.00 0.00 H 
    13627  
    13628 Ignored bad PDB record found on line 91294 
    13629 ATOM 279a0 HWS SOL W2781 -89.305 11.093 -14.666 1.00 0.00 H 
    13630  
    13631 Ignored bad PDB record found on line 91295 
    13632 ATOM 279a2 OWS SOL W2782 85.388 0.657 -23.372 1.00 0.00 O 
    13633  
    13634 814 messages similar to the above omitted 
    13635 Duplicate atom serial number found: 28000 
    13636 Duplicate atom serial number found: 28002 
    13637 Duplicate atom serial number found: 28004 
    13638 Duplicate atom serial number found: 28006 
    13639 Duplicate atom serial number found: 28008 
    13640 Ignored bad PDB record found on line 92115 
    13641 ATOM 2800a HWS SOL W2895 88.272 2.141 -28.037 1.00 0.00 H 
    13642  
    13643 Ignored bad PDB record found on line 92116 
    13644 ATOM 2800c HWS SOL W2895 87.596 1.376 -26.920 1.00 0.00 H 
    13645  
    13646 Ignored bad PDB record found on line 92117 
    13647 ATOM 2800e OWS SOL W2896 84.764 -7.454 -44.707 1.00 0.00 O 
    13648  
    13649 Duplicate atom serial number found: 28010 
    13650 Duplicate atom serial number found: 28012 
    13651 Duplicate atom serial number found: 28014 
    13652 Duplicate atom serial number found: 28016 
    13653 Duplicate atom serial number found: 28018 
    13654 Ignored bad PDB record found on line 92123 
    13655 ATOM 2801a OWS SOL W2898 -81.171 -8.137 -19.962 1.00 0.00 O 
    13656  
    13657 Ignored bad PDB record found on line 92124 
    13658 ATOM 2801c HWS SOL W2898 -81.148 -8.835 -20.617 1.00 0.00 H 
    13659  
    13660 Ignored bad PDB record found on line 92125 
    13661 ATOM 2801e HWS SOL W2898 -82.011 -7.700 -20.107 1.00 0.00 H 
    13662  
    13663 Duplicate atom serial number found: 28020 
    13664 Duplicate atom serial number found: 28022 
    13665 Duplicate atom serial number found: 28024 
    13666 Ignored bad PDB record found on line 92129 
    13667 ATOM 28026 OWS SOL W289a -85.345 6.122 -21.989 1.00 0.00 O 
    13668  
    13669 Ignored bad PDB record found on line 92130 
    13670 ATOM 28028 HWS SOL W289a -84.857 5.772 -21.243 1.00 0.00 H 
    13671  
    13672 Ignored bad PDB record found on line 92131 
    13673 ATOM 2802a HWS SOL W289a -85.040 7.026 -22.072 1.00 0.00 H 
    13674  
    13675 Ignored bad PDB record found on line 92132 
    13676 ATOM 2802c OWS SOL W289b 88.689 -3.475 -27.385 1.00 0.00 O 
    13677  
    13678 Ignored bad PDB record found on line 92133 
    13679 ATOM 2802e HWS SOL W289b 89.300 -3.654 -28.100 1.00 0.00 H 
    13680  
    13681 304 messages similar to the above omitted 
    13682 Duplicate atom serial number found: 28290 
    13683 Duplicate atom serial number found: 28292 
    13684 Duplicate atom serial number found: 28294 
    13685 Duplicate atom serial number found: 28296 
    13686 Duplicate atom serial number found: 28298 
    13687 Ignored bad PDB record found on line 92443 
    13688 ATOM 2829a HWS SOL W2902 -82.400 31.265 -24.630 1.00 0.00 H 
    13689  
    13690 Ignored bad PDB record found on line 92444 
    13691 ATOM 2829c OWS SOL W2903 -83.106 5.852 -25.862 1.00 0.00 O 
    13692  
    13693 Ignored bad PDB record found on line 92445 
    13694 ATOM 2829e HWS SOL W2903 -83.765 5.380 -25.355 1.00 0.00 H 
    13695  
    13696 Ignored bad PDB record found on line 92446 
    13697 ATOM 282a0 HWS SOL W2903 -83.459 6.738 -25.948 1.00 0.00 H 
    13698  
    13699 Ignored bad PDB record found on line 92447 
    13700 ATOM 282a2 OWS SOL W2904 -68.350 -4.916 -31.867 1.00 0.00 O 
    13701  
    13702 46 messages similar to the above omitted 
    13703 Duplicate atom serial number found: 28300 
    13704 Duplicate atom serial number found: 28302 
    13705 Duplicate atom serial number found: 28304 
    13706 Duplicate atom serial number found: 28306 
    13707 Duplicate atom serial number found: 28308 
    13708 Ignored bad PDB record found on line 92499 
    13709 ATOM 2830a HWS SOL W2915 -72.720 -18.687 -2.171 1.00 0.00 H 
    13710  
    13711 Ignored bad PDB record found on line 92500 
    13712 ATOM 2830c HWS SOL W2915 -73.876 -19.491 -2.728 1.00 0.00 H 
    13713  
    13714 Ignored bad PDB record found on line 92501 
    13715 ATOM 2830e OWS SOL W2916 69.165 23.541 -44.007 1.00 0.00 O 
    13716  
    13717 Duplicate atom serial number found: 28310 
    13718 Duplicate atom serial number found: 28312 
    13719 Duplicate atom serial number found: 28314 
    13720 Duplicate atom serial number found: 28316 
    13721 Duplicate atom serial number found: 28318 
    13722 Ignored bad PDB record found on line 92507 
    13723 ATOM 2831a OWS SOL W2918 -70.751 -1.114 -30.787 1.00 0.00 O 
    13724  
    13725 Ignored bad PDB record found on line 92508 
    13726 ATOM 2831c HWS SOL W2918 -70.401 -1.497 -29.982 1.00 0.00 H 
    13727  
    13728 Ignored bad PDB record found on line 92509 
    13729 ATOM 2831e HWS SOL W2918 -70.055 -0.537 -31.101 1.00 0.00 H 
    13730  
    13731 Duplicate atom serial number found: 28320 
    13732 Duplicate atom serial number found: 28322 
    13733 Duplicate atom serial number found: 28324 
    13734 Ignored bad PDB record found on line 92513 
    13735 ATOM 28326 OWS SOL W291a 85.336 6.115 -24.236 1.00 0.00 O 
    13736  
    13737 Ignored bad PDB record found on line 92514 
    13738 ATOM 28328 HWS SOL W291a 84.833 6.281 -25.034 1.00 0.00 H 
    13739  
    13740 Ignored bad PDB record found on line 92515 
    13741 ATOM 2832a HWS SOL W291a 85.356 5.161 -24.160 1.00 0.00 H 
    13742  
    13743 Ignored bad PDB record found on line 92516 
    13744 ATOM 2832c OWS SOL W291b -81.279 9.918 -45.311 1.00 0.00 O 
    13745  
    13746 Ignored bad PDB record found on line 92517 
    13747 ATOM 2832e HWS SOL W291b -81.999 9.290 -45.360 1.00 0.00 H 
    13748  
    13749 16 messages similar to the above omitted 
    13750 Duplicate atom serial number found: 28350 
    13751 Duplicate atom serial number found: 28352 
    13752 Duplicate atom serial number found: 28354 
    13753 Duplicate atom serial number found: 28356 
    13754 Duplicate atom serial number found: 28358 
    13755 Ignored bad PDB record found on line 92539 
    13756 ATOM 2835a HWS SOL W2922 -73.344 -10.086 -16.930 1.00 0.00 H 
    13757  
    13758 Ignored bad PDB record found on line 92540 
    13759 ATOM 2835c OWS SOL W2923 -81.202 25.597 -24.311 1.00 0.00 O 
    13760  
    13761 Ignored bad PDB record found on line 92541 
    13762 ATOM 2835e HWS SOL W2923 -81.460 24.692 -24.136 1.00 0.00 H 
    13763  
    13764 Duplicate atom serial number found: 28360 
    13765 Duplicate atom serial number found: 28362 
    13766 Duplicate atom serial number found: 28364 
    13767 Duplicate atom serial number found: 28366 
    13768 Duplicate atom serial number found: 28368 
    13769 Ignored bad PDB record found on line 92547 
    13770 ATOM 2836a HWS SOL W2925 -78.702 -1.952 -14.519 1.00 0.00 H 
    13771  
    13772 Ignored bad PDB record found on line 92548 
    13773 ATOM 2836c HWS SOL W2925 -79.853 -2.814 -14.991 1.00 0.00 H 
    13774  
    13775 Ignored bad PDB record found on line 92549 
    13776 ATOM 2836e OWS SOL W2926 -83.998 16.253 -14.327 1.00 0.00 O 
    13777  
    13778 Duplicate atom serial number found: 28370 
    13779 Duplicate atom serial number found: 28372 
    13780 Duplicate atom serial number found: 28374 
    13781 Duplicate atom serial number found: 28376 
    13782 Duplicate atom serial number found: 28378 
    13783 Ignored bad PDB record found on line 92555 
    13784 ATOM 2837a OWS SOL W2928 83.890 20.008 -35.936 1.00 0.00 O 
    13785  
    13786 Ignored bad PDB record found on line 92556 
    13787 ATOM 2837c HWS SOL W2928 84.099 19.359 -36.608 1.00 0.00 H 
    13788  
    13789 Ignored bad PDB record found on line 92557 
    13790 ATOM 2837e HWS SOL W2928 83.122 19.653 -35.490 1.00 0.00 H 
    13791  
    13792 Duplicate atom serial number found: 28380 
    13793 Duplicate atom serial number found: 28382 
    13794 Duplicate atom serial number found: 28384 
    13795 Ignored bad PDB record found on line 92561 
    13796 ATOM 28386 OWS SOL W292a 74.318 4.114 -11.715 1.00 0.00 O 
    13797  
    13798 Ignored bad PDB record found on line 92562 
    13799 ATOM 28388 HWS SOL W292a 74.164 4.030 -10.774 1.00 0.00 H 
    13800  
    13801 Ignored bad PDB record found on line 92563 
    13802 ATOM 2838a HWS SOL W292a 75.087 3.569 -11.881 1.00 0.00 H 
    13803  
    13804 Ignored bad PDB record found on line 92564 
    13805 ATOM 2838c OWS SOL W292b -74.660 -8.312 -19.064 1.00 0.00 O 
    13806  
    13807 Ignored bad PDB record found on line 92565 
    13808 ATOM 2838e HWS SOL W292b -73.980 -7.884 -19.585 1.00 0.00 H 
    13809  
    13810 64 messages similar to the above omitted 
    13811 Duplicate atom serial number found: 28410 
    13812 Duplicate atom serial number found: 28412 
    13813 Duplicate atom serial number found: 28414 
    13814 Duplicate atom serial number found: 28416 
    13815 Duplicate atom serial number found: 28418 
    13816 Ignored bad PDB record found on line 92635 
    13817 ATOM 2841a HWS SOL W2942 85.208 -4.254 -21.951 1.00 0.00 H 
    13818  
    13819 Ignored bad PDB record found on line 92636 
    13820 ATOM 2841c OWS SOL W2943 89.923 6.150 -18.412 1.00 0.00 O 
    13821  
    13822 Ignored bad PDB record found on line 92637 
    13823 ATOM 2841e HWS SOL W2943 90.222 5.560 -19.104 1.00 0.00 H 
    13824  
    13825 Duplicate atom serial number found: 28420 
    13826 Duplicate atom serial number found: 28422 
    13827 Duplicate atom serial number found: 28424 
    13828 Duplicate atom serial number found: 28426 
    13829 Duplicate atom serial number found: 28428 
    13830 Ignored bad PDB record found on line 92643 
    13831 ATOM 2842a HWS SOL W2945 86.666 9.081 -41.071 1.00 0.00 H 
    13832  
    13833 Ignored bad PDB record found on line 92644 
    13834 ATOM 2842c HWS SOL W2945 85.797 8.220 -40.179 1.00 0.00 H 
    13835  
    13836 Ignored bad PDB record found on line 92645 
    13837 ATOM 2842e OWS SOL W2946 -86.563 -10.656 -8.933 1.00 0.00 O 
    13838  
    13839 Duplicate atom serial number found: 28430 
    13840 Duplicate atom serial number found: 28432 
    13841 Duplicate atom serial number found: 28434 
    13842 Duplicate atom serial number found: 28436 
    13843 Duplicate atom serial number found: 28438 
    13844 Ignored bad PDB record found on line 92651 
    13845 ATOM 2843a OWS SOL W2948 62.351 15.583 -19.482 1.00 0.00 O 
    13846  
    13847 Ignored bad PDB record found on line 92652 
    13848 ATOM 2843c HWS SOL W2948 62.704 16.443 -19.713 1.00 0.00 H 
    13849  
    13850 Ignored bad PDB record found on line 92653 
    13851 ATOM 2843e HWS SOL W2948 62.852 14.967 -20.016 1.00 0.00 H 
    13852  
    13853 Duplicate atom serial number found: 28440 
    13854 Duplicate atom serial number found: 28442 
    13855 Duplicate atom serial number found: 28444 
    13856 Ignored bad PDB record found on line 92657 
    13857 ATOM 28446 OWS SOL W294a -65.446 3.565 -16.072 1.00 0.00 O 
    13858  
    13859 Ignored bad PDB record found on line 92658 
    13860 ATOM 28448 HWS SOL W294a -64.728 4.185 -16.206 1.00 0.00 H 
    13861  
    13862 Ignored bad PDB record found on line 92659 
    13863 ATOM 2844a HWS SOL W294a -65.719 3.706 -15.165 1.00 0.00 H 
    13864  
    13865 Ignored bad PDB record found on line 92660 
    13866 ATOM 2844c OWS SOL W294b -56.066 -4.866 -0.857 1.00 0.00 O 
    13867  
    13868 Ignored bad PDB record found on line 92661 
    13869 ATOM 2844e HWS SOL W294b -56.415 -5.752 -0.751 1.00 0.00 H 
    13870  
    13871 16 messages similar to the above omitted 
    13872 Duplicate atom serial number found: 28470 
    13873 Duplicate atom serial number found: 28472 
    13874 Duplicate atom serial number found: 28474 
    13875 Duplicate atom serial number found: 28476 
    13876 Duplicate atom serial number found: 28478 
    13877 Ignored bad PDB record found on line 92683 
    13878 ATOM 2847a HWS SOL W2952 -78.833 11.987 -16.776 1.00 0.00 H 
    13879  
    13880 Ignored bad PDB record found on line 92684 
    13881 ATOM 2847c OWS SOL W2953 -71.873 -5.174 -10.801 1.00 0.00 O 
    13882  
    13883 Ignored bad PDB record found on line 92685 
    13884 ATOM 2847e HWS SOL W2953 -71.207 -5.117 -10.116 1.00 0.00 H 
    13885  
    13886 Duplicate atom serial number found: 28480 
    13887 Duplicate atom serial number found: 28482 
    13888 Duplicate atom serial number found: 28484 
    13889 Duplicate atom serial number found: 28486 
    13890 Duplicate atom serial number found: 28488 
    13891 Ignored bad PDB record found on line 92691 
    13892 ATOM 2848a HWS SOL W2955 -88.414 17.639 -33.011 1.00 0.00 H 
    13893  
    13894 Ignored bad PDB record found on line 92692 
    13895 ATOM 2848c HWS SOL W2955 -88.228 16.434 -33.907 1.00 0.00 H 
    13896  
    13897 Ignored bad PDB record found on line 92693 
    13898 ATOM 2848e OWS SOL W2956 87.183 12.245 -23.750 1.00 0.00 O 
    13899  
    13900 Duplicate atom serial number found: 28490 
    13901 Duplicate atom serial number found: 28492 
    13902 Duplicate atom serial number found: 28494 
    13903 Duplicate atom serial number found: 28496 
    13904 Duplicate atom serial number found: 28498 
    13905 Ignored bad PDB record found on line 92699 
    13906 ATOM 2849a OWS SOL W2958 -74.189 -5.655 -31.008 1.00 0.00 O 
    13907  
    13908 Ignored bad PDB record found on line 92700 
    13909 ATOM 2849c HWS SOL W2958 -75.073 -5.326 -31.170 1.00 0.00 H 
    13910  
    13911 Ignored bad PDB record found on line 92701 
    13912 ATOM 2849e HWS SOL W2958 -73.777 -4.979 -30.468 1.00 0.00 H 
    13913  
    13914 Ignored bad PDB record found on line 92702 
    13915 ATOM 284a0 OWS SOL W2959 -79.889 -31.526 -30.292 1.00 0.00 O 
    13916  
    13917 Ignored bad PDB record found on line 92703 
    13918 ATOM 284a2 HWS SOL W2959 -79.640 -32.428 -30.495 1.00 0.00 H 
    13919  
    13920 46 messages similar to the above omitted 
    13921 Duplicate atom serial number found: 28500 
    13922 Duplicate atom serial number found: 28502 
    13923 Duplicate atom serial number found: 28504 
    13924 Ignored bad PDB record found on line 92753 
    13925 ATOM 28506 OWS SOL W296a -80.963 9.778 -25.362 1.00 0.00 O 
    13926  
    13927 Ignored bad PDB record found on line 92754 
    13928 ATOM 28508 HWS SOL W296a -81.054 8.983 -24.836 1.00 0.00 H 
    13929  
    13930 Ignored bad PDB record found on line 92755 
    13931 ATOM 2850a HWS SOL W296a -81.863 10.048 -25.547 1.00 0.00 H 
    13932  
    13933 Ignored bad PDB record found on line 92756 
    13934 ATOM 2850c OWS SOL W296b -63.297 5.598 -24.989 1.00 0.00 O 
    13935  
    13936 Ignored bad PDB record found on line 92757 
    13937 ATOM 2850e HWS SOL W296b -63.462 6.207 -25.708 1.00 0.00 H 
    13938  
    13939 16 messages similar to the above omitted 
    13940 Duplicate atom serial number found: 28530 
    13941 Duplicate atom serial number found: 28532 
    13942 Duplicate atom serial number found: 28534 
    13943 Duplicate atom serial number found: 28536 
    13944 Duplicate atom serial number found: 28538 
    13945 Ignored bad PDB record found on line 92779 
    13946 ATOM 2853a HWS SOL W2972 -63.784 -6.437 -35.594 1.00 0.00 H 
    13947  
    13948 Ignored bad PDB record found on line 92780 
    13949 ATOM 2853c OWS SOL W2973 87.484 10.509 -18.316 1.00 0.00 O 
    13950  
    13951 Ignored bad PDB record found on line 92781 
    13952 ATOM 2853e HWS SOL W2973 88.068 10.448 -19.071 1.00 0.00 H 
    13953  
    13954 Duplicate atom serial number found: 28540 
    13955 Duplicate atom serial number found: 28542 
    13956 Duplicate atom serial number found: 28544 
    13957 Duplicate atom serial number found: 28546 
    13958 Duplicate atom serial number found: 28548 
    13959 Ignored bad PDB record found on line 92787 
    13960 ATOM 2854a HWS SOL W2975 81.323 2.567 -11.849 1.00 0.00 H 
    13961  
    13962 Ignored bad PDB record found on line 92788 
    13963 ATOM 2854c HWS SOL W2975 80.022 2.218 -11.157 1.00 0.00 H 
    13964  
    13965 Ignored bad PDB record found on line 92789 
    13966 ATOM 2854e OWS SOL W2976 -90.152 16.853 -22.526 1.00 0.00 O 
    13967  
    13968 Duplicate atom serial number found: 28550 
    13969 Duplicate atom serial number found: 28552 
    13970 Duplicate atom serial number found: 28554 
    13971 Duplicate atom serial number found: 28556 
    13972 Duplicate atom serial number found: 28558 
    13973 Ignored bad PDB record found on line 92795 
    13974 ATOM 2855a OWS SOL W2978 -68.035 -6.976 -26.319 1.00 0.00 O 
    13975  
    13976 Ignored bad PDB record found on line 92796 
    13977 ATOM 2855c HWS SOL W2978 -67.769 -7.734 -26.839 1.00 0.00 H 
    13978  
    13979 Ignored bad PDB record found on line 92797 
    13980 ATOM 2855e HWS SOL W2978 -67.236 -6.460 -26.220 1.00 0.00 H 
    13981  
    13982 Duplicate atom serial number found: 28560 
    13983 Duplicate atom serial number found: 28562 
    13984 Duplicate atom serial number found: 28564 
    13985 Ignored bad PDB record found on line 92801 
    13986 ATOM 28566 OWS SOL W297a -66.288 12.587 -14.827 1.00 0.00 O 
    13987  
    13988 Ignored bad PDB record found on line 92802 
    13989 ATOM 28568 HWS SOL W297a -67.240 12.499 -14.787 1.00 0.00 H 
    13990  
    13991 Ignored bad PDB record found on line 92803 
    13992 ATOM 2856a HWS SOL W297a -65.962 11.687 -14.802 1.00 0.00 H 
    13993  
    13994 Ignored bad PDB record found on line 92804 
    13995 ATOM 2856c OWS SOL W297b 85.191 -29.730 -44.550 1.00 0.00 O 
    13996  
    13997 Ignored bad PDB record found on line 92805 
    13998 ATOM 2856e HWS SOL W297b 85.994 -30.187 -44.300 1.00 0.00 H 
    13999  
    14000 16 messages similar to the above omitted 
    14001 Duplicate atom serial number found: 28590 
    14002 Duplicate atom serial number found: 28592 
    14003 Duplicate atom serial number found: 28594 
    14004 Duplicate atom serial number found: 28596 
    14005 Duplicate atom serial number found: 28598 
    14006 Ignored bad PDB record found on line 92827 
    14007 ATOM 2859a HWS SOL W2982 -82.377 3.038 -50.530 1.00 0.00 H 
    14008  
    14009 Ignored bad PDB record found on line 92828 
    14010 ATOM 2859c OWS SOL W2983 -83.264 1.906 -21.050 1.00 0.00 O 
    14011  
    14012 Ignored bad PDB record found on line 92829 
    14013 ATOM 2859e HWS SOL W2983 -82.515 2.399 -20.715 1.00 0.00 H 
    14014  
    14015 Ignored bad PDB record found on line 92830 
    14016 ATOM 285a0 HWS SOL W2983 -82.885 1.298 -21.685 1.00 0.00 H 
    14017  
    14018 Ignored bad PDB record found on line 92831 
    14019 ATOM 285a2 OWS SOL W2984 -57.727 -0.475 -22.423 1.00 0.00 O 
    14020  
    14021 46 messages similar to the above omitted 
    14022 Duplicate atom serial number found: 28600 
    14023 Duplicate atom serial number found: 28602 
    14024 Duplicate atom serial number found: 28604 
    14025 Duplicate atom serial number found: 28606 
    14026 Duplicate atom serial number found: 28608 
    14027 Ignored bad PDB record found on line 92883 
    14028 ATOM 2860a HWS SOL W2995 -69.656 4.601 15.726 1.00 0.00 H 
    14029  
    14030 Ignored bad PDB record found on line 92884 
    14031 ATOM 2860c HWS SOL W2995 -70.933 5.255 16.211 1.00 0.00 H 
    14032  
    14033 Ignored bad PDB record found on line 92885 
    14034 ATOM 2860e OWS SOL W2996 -80.345 5.224 -19.341 1.00 0.00 O 
    14035  
    14036 Duplicate atom serial number found: 28610 
    14037 Duplicate atom serial number found: 28612 
    14038 Duplicate atom serial number found: 28614 
    14039 Duplicate atom serial number found: 28616 
    14040 Duplicate atom serial number found: 28618 
    14041 Ignored bad PDB record found on line 92891 
    14042 ATOM 2861a OWS SOL W2998 -86.546 -12.532 -14.933 1.00 0.00 O 
    14043  
    14044 Ignored bad PDB record found on line 92892 
    14045 ATOM 2861c HWS SOL W2998 -87.463 -12.562 -14.659 1.00 0.00 H 
    14046  
    14047 Ignored bad PDB record found on line 92893 
    14048 ATOM 2861e HWS SOL W2998 -86.050 -12.585 -14.116 1.00 0.00 H 
    14049  
    14050 Duplicate atom serial number found: 28620 
    14051 Duplicate atom serial number found: 28622 
    14052 Duplicate atom serial number found: 28624 
    14053 Ignored bad PDB record found on line 92897 
    14054 ATOM 28626 OWS SOL W299a -73.821 -5.025 0.644 1.00 0.00 O 
    14055  
    14056 Ignored bad PDB record found on line 92898 
    14057 ATOM 28628 HWS SOL W299a -73.904 -5.895 0.253 1.00 0.00 H 
    14058  
    14059 Ignored bad PDB record found on line 92899 
    14060 ATOM 2862a HWS SOL W299a -74.034 -5.155 1.568 1.00 0.00 H 
    14061  
    14062 Ignored bad PDB record found on line 92900 
    14063 ATOM 2862c OWS SOL W299b 86.105 32.551 0.152 1.00 0.00 O 
    14064  
    14065 Ignored bad PDB record found on line 92901 
    14066 ATOM 2862e HWS SOL W299b 85.468 33.118 0.586 1.00 0.00 H 
    14067  
    14068 17905 messages similar to the above omitted 
    14069 Duplicate atom serial number found: 31212 
    14070 Duplicate atom serial number found: 31214 
    14071 Duplicate atom serial number found: 31216 
    14072 Duplicate atom serial number found: 31218 
    14073 Ignored bad PDB record found on line 110811 
    14074 ATOM 3121a HWS SOL W4111 -78.187 55.185 -41.721 1.00 0.00 H 
    14075  
    14076 Ignored bad PDB record found on line 110812 
    14077 ATOM 3121c HWS SOL W4111 -78.550 55.774 -40.375 1.00 0.00 H 
    14078  
    14079 Ignored bad PDB record found on line 110813 
    14080 ATOM 3121e OWS SOL W4112 -88.064 49.456 -70.452 1.00 0.00 O 
    14081  
    14082 Duplicate atom serial number found: 31220 
    14083 Duplicate atom serial number found: 31222 
    14084 Duplicate atom serial number found: 31224 
    14085 Duplicate atom serial number found: 31226 
    14086 Duplicate atom serial number found: 31228 
    14087 Ignored bad PDB record found on line 110819 
    14088 ATOM 3122a OWS SOL W4114 -55.801 63.625 -56.904 1.00 0.00 O 
    14089  
    14090 Ignored bad PDB record found on line 110820 
    14091 ATOM 3122c HWS SOL W4114 -55.104 63.714 -56.253 1.00 0.00 H 
    14092  
    14093 Ignored bad PDB record found on line 110821 
    14094 ATOM 3122e HWS SOL W4114 -55.471 62.972 -57.521 1.00 0.00 H 
    14095  
    14096 Duplicate atom serial number found: 31230 
    14097 Duplicate atom serial number found: 31232 
    14098 Duplicate atom serial number found: 31234 
    14099 Duplicate atom serial number found: 31236 
    14100 Duplicate atom serial number found: 31238 
    14101 Ignored bad PDB record found on line 110827 
    14102 ATOM 3123a HWS SOL W4116 -85.515 52.925 -58.667 1.00 0.00 H 
    14103  
    14104 Ignored bad PDB record found on line 110828 
    14105 ATOM 3123c OWS SOL W4117 -78.600 52.125 -60.084 1.00 0.00 O 
    14106  
    14107 Ignored bad PDB record found on line 110829 
    14108 ATOM 3123e HWS SOL W4117 -77.798 51.940 -59.596 1.00 0.00 H 
    14109  
    14110 Duplicate atom serial number found: 31240 
    14111 Duplicate atom serial number found: 31242 
    14112 Duplicate atom serial number found: 31244 
    14113 Duplicate atom serial number found: 31246 
    14114 Duplicate atom serial number found: 31248 
    14115 Ignored bad PDB record found on line 110835 
    14116 ATOM 3124a HWS SOL W4119 -71.638 31.084 -47.804 1.00 0.00 H 
    14117  
    14118 Ignored bad PDB record found on line 110836 
    14119 ATOM 3124c HWS SOL W4119 -71.582 32.253 -48.764 1.00 0.00 H 
    14120  
    14121 Ignored bad PDB record found on line 110837 
    14122 ATOM 3124e OWS SOL W411a -81.162 44.331 -66.062 1.00 0.00 O 
    14123  
    14124 Ignored bad PDB record found on line 110838 
    14125 ATOM 31250 HWS SOL W411a -80.315 44.322 -65.616 1.00 0.00 H 
    14126  
    14127 Ignored bad PDB record found on line 110839 
    14128 ATOM 31252 HWS SOL W411a -80.979 43.972 -66.931 1.00 0.00 H 
    14129  
    14130 15 messages similar to the above omitted 
    14131 Duplicate atom serial number found: 31272 
    14132 Duplicate atom serial number found: 31274 
    14133 Duplicate atom serial number found: 31276 
    14134 Duplicate atom serial number found: 31278 
    14135 Ignored bad PDB record found on line 110859 
    14136 ATOM 3127a HWS SOL W4121 -79.159 50.641 -48.387 1.00 0.00 H 
    14137  
    14138 Ignored bad PDB record found on line 110860 
    14139 ATOM 3127c HWS SOL W4121 -79.631 49.685 -47.313 1.00 0.00 H 
    14140  
    14141 Ignored bad PDB record found on line 110861 
    14142 ATOM 3127e OWS SOL W4122 -78.024 72.415 -47.766 1.00 0.00 O 
    14143  
    14144 Duplicate atom serial number found: 31280 
    14145 Duplicate atom serial number found: 31282 
    14146 Duplicate atom serial number found: 31284 
    14147 Duplicate atom serial number found: 31286 
    14148 Duplicate atom serial number found: 31288 
    14149 Ignored bad PDB record found on line 110867 
    14150 ATOM 3128a OWS SOL W4124 -86.949 57.618 -56.018 1.00 0.00 O 
    14151  
    14152 Ignored bad PDB record found on line 110868 
    14153 ATOM 3128c HWS SOL W4124 -86.207 58.103 -55.658 1.00 0.00 H 
    14154  
    14155 Ignored bad PDB record found on line 110869 
    14156 ATOM 3128e HWS SOL W4124 -86.576 56.781 -56.296 1.00 0.00 H 
    14157  
    14158 Duplicate atom serial number found: 31290 
    14159 Duplicate atom serial number found: 31292 
    14160 Duplicate atom serial number found: 31294 
    14161 Duplicate atom serial number found: 31296 
    14162 Duplicate atom serial number found: 31298 
    14163 Ignored bad PDB record found on line 110875 
    14164 ATOM 3129a HWS SOL W4126 -54.463 38.859 -70.382 1.00 0.00 H 
    14165  
    14166 Ignored bad PDB record found on line 110876 
    14167 ATOM 3129c OWS SOL W4127 -66.055 46.572 -61.981 1.00 0.00 O 
    14168  
    14169 Ignored bad PDB record found on line 110877 
    14170 ATOM 3129e HWS SOL W4127 -66.691 46.895 -62.621 1.00 0.00 H 
    14171  
    14172 Ignored bad PDB record found on line 110878 
    14173 ATOM 312a0 HWS SOL W4127 -65.230 46.529 -62.464 1.00 0.00 H 
    14174  
    14175 Ignored bad PDB record found on line 110879 
    14176 ATOM 312a2 OWS SOL W4128 83.745 58.951 -43.810 1.00 0.00 O 
    14177  
    14178 46 messages similar to the above omitted 
    14179 Duplicate atom serial number found: 31300 
    14180 Duplicate atom serial number found: 31302 
    14181 Duplicate atom serial number found: 31304 
    14182 Duplicate atom serial number found: 31306 
    14183 Duplicate atom serial number found: 31308 
    14184 Ignored bad PDB record found on line 110931 
    14185 ATOM 3130a HWS SOL W4139 85.362 36.162 -54.623 1.00 0.00 H 
    14186  
    14187 Ignored bad PDB record found on line 110932 
    14188 ATOM 3130c HWS SOL W4139 85.044 34.733 -54.238 1.00 0.00 H 
    14189  
    14190 Ignored bad PDB record found on line 110933 
    14191 ATOM 3130e OWS SOL W413a -83.970 58.373 -64.220 1.00 0.00 O 
    14192  
    14193 Ignored bad PDB record found on line 110934 
    14194 ATOM 31310 HWS SOL W413a -84.215 58.205 -65.130 1.00 0.00 H 
    14195  
    14196 Ignored bad PDB record found on line 110935 
    14197 ATOM 31312 HWS SOL W413a -83.015 58.436 -64.236 1.00 0.00 H 
    14198  
    14199 15 messages similar to the above omitted 
    14200 Duplicate atom serial number found: 31332 
    14201 Duplicate atom serial number found: 31334 
    14202 Duplicate atom serial number found: 31336 
    14203 Duplicate atom serial number found: 31338 
    14204 Ignored bad PDB record found on line 110955 
    14205 ATOM 3133a HWS SOL W4141 -80.387 51.243 -54.350 1.00 0.00 H 
    14206  
    14207 Ignored bad PDB record found on line 110956 
    14208 ATOM 3133c HWS SOL W4141 -79.308 52.304 -54.325 1.00 0.00 H 
    14209  
    14210 Ignored bad PDB record found on line 110957 
    14211 ATOM 3133e OWS SOL W4142 -82.067 71.799 -47.779 1.00 0.00 O 
    14212  
    14213 Duplicate atom serial number found: 31340 
    14214 Duplicate atom serial number found: 31342 
    14215 Duplicate atom serial number found: 31344 
    14216 Duplicate atom serial number found: 31346 
    14217 Duplicate atom serial number found: 31348 
    14218 Ignored bad PDB record found on line 110963 
    14219 ATOM 3134a OWS SOL W4144 78.542 43.087 -52.659 1.00 0.00 O 
    14220  
    14221 Ignored bad PDB record found on line 110964 
    14222 ATOM 3134c HWS SOL W4144 78.637 42.997 -53.608 1.00 0.00 H 
    14223  
    14224 Ignored bad PDB record found on line 110965 
    14225 ATOM 3134e HWS SOL W4144 78.399 44.023 -52.520 1.00 0.00 H 
    14226  
    14227 Duplicate atom serial number found: 31350 
    14228 Duplicate atom serial number found: 31352 
    14229 Duplicate atom serial number found: 31354 
    14230 Duplicate atom serial number found: 31356 
    14231 Duplicate atom serial number found: 31358 
    14232 Ignored bad PDB record found on line 110971 
    14233 ATOM 3135a HWS SOL W4146 82.334 26.105 -72.447 1.00 0.00 H 
    14234  
    14235 Ignored bad PDB record found on line 110972 
    14236 ATOM 3135c OWS SOL W4147 -82.830 37.172 -53.705 1.00 0.00 O 
    14237  
    14238 Ignored bad PDB record found on line 110973 
    14239 ATOM 3135e HWS SOL W4147 -83.040 37.307 -52.781 1.00 0.00 H 
    14240  
    14241 Duplicate atom serial number found: 31360 
    14242 Duplicate atom serial number found: 31362 
    14243 Duplicate atom serial number found: 31364 
    14244 Duplicate atom serial number found: 31366 
    14245 Duplicate atom serial number found: 31368 
    14246 Ignored bad PDB record found on line 110979 
    14247 ATOM 3136a HWS SOL W4149 -64.349 50.415 -52.375 1.00 0.00 H 
    14248  
    14249 Ignored bad PDB record found on line 110980 
    14250 ATOM 3136c HWS SOL W4149 -65.307 49.608 -51.524 1.00 0.00 H 
    14251  
    14252 Ignored bad PDB record found on line 110981 
    14253 ATOM 3136e OWS SOL W414a 80.851 27.823 -57.777 1.00 0.00 O 
    14254  
    14255 Ignored bad PDB record found on line 110982 
    14256 ATOM 31370 HWS SOL W414a 80.578 28.067 -58.661 1.00 0.00 H 
    14257  
    14258 Ignored bad PDB record found on line 110983 
    14259 ATOM 31372 HWS SOL W414a 80.249 27.123 -57.525 1.00 0.00 H 
    14260  
    14261 15 messages similar to the above omitted 
    14262 Duplicate atom serial number found: 31392 
    14263 Duplicate atom serial number found: 31394 
    14264 Duplicate atom serial number found: 31396 
    14265 Duplicate atom serial number found: 31398 
    14266 Ignored bad PDB record found on line 111003 
    14267 ATOM 3139a HWS SOL W4151 89.321 45.610 -87.657 1.00 0.00 H 
    14268  
    14269 Ignored bad PDB record found on line 111004 
    14270 ATOM 3139c HWS SOL W4151 90.178 46.799 -87.278 1.00 0.00 H 
    14271  
    14272 Ignored bad PDB record found on line 111005 
    14273 ATOM 3139e OWS SOL W4152 -90.022 56.337 -48.874 1.00 0.00 O 
    14274  
    14275 Ignored bad PDB record found on line 111006 
    14276 ATOM 313a0 HWS SOL W4152 -90.338 55.494 -48.547 1.00 0.00 H 
    14277  
    14278 Ignored bad PDB record found on line 111007 
    14279 ATOM 313a2 HWS SOL W4152 -89.632 56.134 -49.724 1.00 0.00 H 
    14280  
    14281 46 messages similar to the above omitted 
    14282 Duplicate atom serial number found: 31400 
    14283 Duplicate atom serial number found: 31402 
    14284 Duplicate atom serial number found: 31404 
    14285 Duplicate atom serial number found: 31406 
    14286 Duplicate atom serial number found: 31408 
    14287 Ignored bad PDB record found on line 111059 
    14288 ATOM 3140a OWS SOL W4164 88.578 79.508 -39.454 1.00 0.00 O 
    14289  
    14290 Ignored bad PDB record found on line 111060 
    14291 ATOM 3140c HWS SOL W4164 88.791 80.335 -39.022 1.00 0.00 H 
    14292  
    14293 Ignored bad PDB record found on line 111061 
    14294 ATOM 3140e HWS SOL W4164 87.825 79.715 -40.008 1.00 0.00 H 
    14295  
    14296 Duplicate atom serial number found: 31410 
    14297 Duplicate atom serial number found: 31412 
    14298 Duplicate atom serial number found: 31414 
    14299 Duplicate atom serial number found: 31416 
    14300 Duplicate atom serial number found: 31418 
    14301 Ignored bad PDB record found on line 111067 
    14302 ATOM 3141a HWS SOL W4166 -85.503 53.140 -72.147 1.00 0.00 H 
    14303  
    14304 Ignored bad PDB record found on line 111068 
    14305 ATOM 3141c OWS SOL W4167 -81.400 59.047 -65.289 1.00 0.00 O 
    14306  
    14307 Ignored bad PDB record found on line 111069 
    14308 ATOM 3141e HWS SOL W4167 -81.994 59.544 -65.853 1.00 0.00 H 
    14309  
    14310 Duplicate atom serial number found: 31420 
    14311 Duplicate atom serial number found: 31422 
    14312 Duplicate atom serial number found: 31424 
    14313 Duplicate atom serial number found: 31426 
    14314 Duplicate atom serial number found: 31428 
    14315 Ignored bad PDB record found on line 111075 
    14316 ATOM 3142a HWS SOL W4169 -74.771 32.018 -77.900 1.00 0.00 H 
    14317  
    14318 Ignored bad PDB record found on line 111076 
    14319 ATOM 3142c HWS SOL W4169 -76.200 31.750 -78.321 1.00 0.00 H 
    14320  
    14321 Ignored bad PDB record found on line 111077 
    14322 ATOM 3142e OWS SOL W416a -83.406 60.088 -52.540 1.00 0.00 O 
    14323  
    14324 Ignored bad PDB record found on line 111078 
    14325 ATOM 31430 HWS SOL W416a -83.481 59.365 -51.918 1.00 0.00 H 
    14326  
    14327 Ignored bad PDB record found on line 111079 
    14328 ATOM 31432 HWS SOL W416a -82.469 60.144 -52.731 1.00 0.00 H 
    14329  
    14330 15 messages similar to the above omitted 
    14331 Duplicate atom serial number found: 31452 
    14332 Duplicate atom serial number found: 31454 
    14333 Duplicate atom serial number found: 31456 
    14334 Duplicate atom serial number found: 31458 
    14335 Ignored bad PDB record found on line 111099 
    14336 ATOM 3145a HWS SOL W4171 -82.287 71.544 -60.471 1.00 0.00 H 
    14337  
    14338 Ignored bad PDB record found on line 111100 
    14339 ATOM 3145c HWS SOL W4171 -81.545 72.632 -59.725 1.00 0.00 H 
    14340  
    14341 Ignored bad PDB record found on line 111101 
    14342 ATOM 3145e OWS SOL W4172 -69.478 57.348 -49.805 1.00 0.00 O 
    14343  
    14344 Duplicate atom serial number found: 31460 
    14345 Duplicate atom serial number found: 31462 
    14346 Duplicate atom serial number found: 31464 
    14347 Duplicate atom serial number found: 31466 
    14348 Duplicate atom serial number found: 31468 
    14349 Ignored bad PDB record found on line 111107 
    14350 ATOM 3146a OWS SOL W4174 -56.328 48.256 -58.177 1.00 0.00 O 
    14351  
    14352 Ignored bad PDB record found on line 111108 
    14353 ATOM 3146c HWS SOL W4174 -55.692 48.534 -57.518 1.00 0.00 H 
    14354  
    14355 Ignored bad PDB record found on line 111109 
    14356 ATOM 3146e HWS SOL W4174 -56.796 47.529 -57.767 1.00 0.00 H 
    14357  
    14358 Duplicate atom serial number found: 31470 
    14359 Duplicate atom serial number found: 31472 
    14360 Duplicate atom serial number found: 31474 
    14361 Duplicate atom serial number found: 31476 
    14362 Duplicate atom serial number found: 31478 
    14363 Ignored bad PDB record found on line 111115 
    14364 ATOM 3147a HWS SOL W4176 87.581 43.063 -73.581 1.00 0.00 H 
    14365  
    14366 Ignored bad PDB record found on line 111116 
    14367 ATOM 3147c OWS SOL W4177 -78.464 42.116 -58.598 1.00 0.00 O 
    14368  
    14369 Ignored bad PDB record found on line 111117 
    14370 ATOM 3147e HWS SOL W4177 -78.309 42.708 -59.334 1.00 0.00 H 
    14371  
    14372 Duplicate atom serial number found: 31480 
    14373 Duplicate atom serial number found: 31482 
    14374 Duplicate atom serial number found: 31484 
    14375 Duplicate atom serial number found: 31486 
    14376 Duplicate atom serial number found: 31488 
    14377 Ignored bad PDB record found on line 111123 
    14378 ATOM 3148a HWS SOL W4179 -54.466 51.633 -56.105 1.00 0.00 H 
    14379  
    14380 Ignored bad PDB record found on line 111124 
    14381 ATOM 3148c HWS SOL W4179 -53.939 50.591 -57.069 1.00 0.00 H 
    14382  
    14383 Ignored bad PDB record found on line 111125 
    14384 ATOM 3148e OWS SOL W417a -68.281 57.688 -52.267 1.00 0.00 O 
    14385  
    14386 Ignored bad PDB record found on line 111126 
    14387 ATOM 31490 HWS SOL W417a -67.384 57.528 -51.974 1.00 0.00 H 
    14388  
    14389 Ignored bad PDB record found on line 111127 
    14390 ATOM 31492 HWS SOL W417a -68.828 57.399 -51.537 1.00 0.00 H 
    14391  
    14392 63 messages similar to the above omitted 
    14393 Duplicate atom serial number found: 31512 
    14394 Duplicate atom serial number found: 31514 
    14395 Duplicate atom serial number found: 31516 
    14396 Duplicate atom serial number found: 31518 
    14397 Ignored bad PDB record found on line 111195 
    14398 ATOM 3151a HWS SOL W4191 -80.878 77.160 -49.736 1.00 0.00 H 
    14399  
    14400 Ignored bad PDB record found on line 111196 
    14401 ATOM 3151c HWS SOL W4191 -80.915 78.570 -50.287 1.00 0.00 H 
    14402  
    14403 Ignored bad PDB record found on line 111197 
    14404 ATOM 3151e OWS SOL W4192 86.617 52.753 -62.570 1.00 0.00 O 
    14405  
    14406 Duplicate atom serial number found: 31520 
    14407 Duplicate atom serial number found: 31522 
    14408 Duplicate atom serial number found: 31524 
    14409 Duplicate atom serial number found: 31526 
    14410 Duplicate atom serial number found: 31528 
    14411 Ignored bad PDB record found on line 111203 
    14412 ATOM 3152a OWS SOL W4194 -69.122 48.193 -54.471 1.00 0.00 O 
    14413  
    14414 Ignored bad PDB record found on line 111204 
    14415 ATOM 3152c HWS SOL W4194 -68.585 47.401 -54.458 1.00 0.00 H 
    14416  
    14417 Ignored bad PDB record found on line 111205 
    14418 ATOM 3152e HWS SOL W4194 -68.820 48.700 -53.718 1.00 0.00 H 
    14419  
    14420 Duplicate atom serial number found: 31530 
    14421 Duplicate atom serial number found: 31532 
    14422 Duplicate atom serial number found: 31534 
    14423 Duplicate atom serial number found: 31536 
    14424 Duplicate atom serial number found: 31538 
    14425 Ignored bad PDB record found on line 111211 
    14426 ATOM 3153a HWS SOL W4196 -70.511 39.397 -57.246 1.00 0.00 H 
    14427  
    14428 Ignored bad PDB record found on line 111212 
    14429 ATOM 3153c OWS SOL W4197 -88.611 51.533 -41.930 1.00 0.00 O 
    14430  
    14431 Ignored bad PDB record found on line 111213 
    14432 ATOM 3153e HWS SOL W4197 -88.137 52.362 -42.001 1.00 0.00 H 
    14433  
    14434 Duplicate atom serial number found: 31540 
    14435 Duplicate atom serial number found: 31542 
    14436 Duplicate atom serial number found: 31544 
    14437 Duplicate atom serial number found: 31546 
    14438 Duplicate atom serial number found: 31548 
    14439 Ignored bad PDB record found on line 111219 
    14440 ATOM 3154a HWS SOL W4199 -88.349 74.962 -47.189 1.00 0.00 H 
    14441  
    14442 Ignored bad PDB record found on line 111220 
    14443 ATOM 3154c HWS SOL W4199 -87.970 74.309 -45.877 1.00 0.00 H 
    14444  
    14445 Ignored bad PDB record found on line 111221 
    14446 ATOM 3154e OWS SOL W419a -68.065 57.401 -63.188 1.00 0.00 O 
    14447  
    14448 Ignored bad PDB record found on line 111222 
    14449 ATOM 31550 HWS SOL W419a -67.854 57.062 -64.057 1.00 0.00 H 
    14450  
    14451 Ignored bad PDB record found on line 111223 
    14452 ATOM 31552 HWS SOL W419a -68.715 56.789 -62.842 1.00 0.00 H 
    14453  
    14454 351 messages similar to the above omitted 
    14455 Duplicate atom serial number found: 31812 
    14456 Duplicate atom serial number found: 31814 
    14457 Duplicate atom serial number found: 31816 
    14458 Duplicate atom serial number found: 31818 
    14459 Ignored bad PDB record found on line 111579 
    14460 ATOM 3181a HWS SOL W4211 -76.937 58.579 -59.910 1.00 0.00 H 
    14461  
    14462 Ignored bad PDB record found on line 111580 
    14463 ATOM 3181c HWS SOL W4211 -77.349 59.904 -59.305 1.00 0.00 H 
    14464  
    14465 Ignored bad PDB record found on line 111581 
    14466 ATOM 3181e OWS SOL W4212 -82.430 59.344 -56.840 1.00 0.00 O 
    14467  
    14468 Duplicate atom serial number found: 31820 
    14469 Duplicate atom serial number found: 31822 
    14470 Duplicate atom serial number found: 31824 
    14471 Duplicate atom serial number found: 31826 
    14472 Duplicate atom serial number found: 31828 
    14473 Ignored bad PDB record found on line 111587 
    14474 ATOM 3182a OWS SOL W4214 -63.434 57.915 -44.444 1.00 0.00 O 
    14475  
    14476 Ignored bad PDB record found on line 111588 
    14477 ATOM 3182c HWS SOL W4214 -63.530 58.699 -43.903 1.00 0.00 H 
    14478  
    14479 Ignored bad PDB record found on line 111589 
    14480 ATOM 3182e HWS SOL W4214 -62.489 57.771 -44.493 1.00 0.00 H 
    14481  
    14482 Duplicate atom serial number found: 31830 
    14483 Duplicate atom serial number found: 31832 
    14484 Duplicate atom serial number found: 31834 
    14485 Duplicate atom serial number found: 31836 
    14486 Duplicate atom serial number found: 31838 
    14487 Ignored bad PDB record found on line 111595 
    14488 ATOM 3183a HWS SOL W4216 -55.442 71.906 -42.350 1.00 0.00 H 
    14489  
    14490 Ignored bad PDB record found on line 111596 
    14491 ATOM 3183c OWS SOL W4217 -76.212 58.503 -54.159 1.00 0.00 O 
    14492  
    14493 Ignored bad PDB record found on line 111597 
    14494 ATOM 3183e HWS SOL W4217 -76.573 58.091 -53.374 1.00 0.00 H 
    14495  
    14496 Duplicate atom serial number found: 31840 
    14497 Duplicate atom serial number found: 31842 
    14498 Duplicate atom serial number found: 31844 
    14499 Duplicate atom serial number found: 31846 
    14500 Duplicate atom serial number found: 31848 
    14501 Ignored bad PDB record found on line 111603 
    14502 ATOM 3184a HWS SOL W4219 -74.422 74.603 -28.055 1.00 0.00 H 
    14503  
    14504 Ignored bad PDB record found on line 111604 
    14505 ATOM 3184c HWS SOL W4219 -75.236 73.634 -28.886 1.00 0.00 H 
    14506  
    14507 Ignored bad PDB record found on line 111605 
    14508 ATOM 3184e OWS SOL W421a -70.488 82.168 -31.013 1.00 0.00 O 
    14509  
    14510 Ignored bad PDB record found on line 111606 
    14511 ATOM 31850 HWS SOL W421a -70.047 81.889 -30.210 1.00 0.00 H 
    14512  
    14513 Ignored bad PDB record found on line 111607 
    14514 ATOM 31852 HWS SOL W421a -69.776 82.403 -31.608 1.00 0.00 H 
    14515  
    14516 15 messages similar to the above omitted 
    14517 Duplicate atom serial number found: 31872 
    14518 Duplicate atom serial number found: 31874 
    14519 Duplicate atom serial number found: 31876 
    14520 Duplicate atom serial number found: 31878 
    14521 Ignored bad PDB record found on line 111627 
    14522 ATOM 3187a HWS SOL W4221 -88.663 45.966 -75.039 1.00 0.00 H 
    14523  
    14524 Ignored bad PDB record found on line 111628 
    14525 ATOM 3187c HWS SOL W4221 -89.791 44.983 -75.271 1.00 0.00 H 
    14526  
    14527 Ignored bad PDB record found on line 111629 
    14528 ATOM 3187e OWS SOL W4222 -70.712 66.503 -45.569 1.00 0.00 O 
    14529  
    14530 Duplicate atom serial number found: 31880 
    14531 Duplicate atom serial number found: 31882 
    14532 Duplicate atom serial number found: 31884 
    14533 Duplicate atom serial number found: 31886 
    14534 Duplicate atom serial number found: 31888 
    14535 Ignored bad PDB record found on line 111635 
    14536 ATOM 3188a OWS SOL W4224 -80.548 67.070 -60.123 1.00 0.00 O 
    14537  
    14538 Ignored bad PDB record found on line 111636 
    14539 ATOM 3188c HWS SOL W4224 -80.627 67.050 -61.077 1.00 0.00 H 
    14540  
    14541 Ignored bad PDB record found on line 111637 
    14542 ATOM 3188e HWS SOL W4224 -80.731 67.979 -59.886 1.00 0.00 H 
    14543  
    14544 Duplicate atom serial number found: 31890 
    14545 Duplicate atom serial number found: 31892 
    14546 Duplicate atom serial number found: 31894 
    14547 Duplicate atom serial number found: 31896 
    14548 Duplicate atom serial number found: 31898 
    14549 Ignored bad PDB record found on line 111643 
    14550 ATOM 3189a HWS SOL W4226 -77.086 48.818 -55.846 1.00 0.00 H 
    14551  
    14552 Ignored bad PDB record found on line 111644 
    14553 ATOM 3189c OWS SOL W4227 -85.399 50.587 -55.935 1.00 0.00 O 
    14554  
    14555 Ignored bad PDB record found on line 111645 
    14556 ATOM 3189e HWS SOL W4227 -85.655 50.674 -56.853 1.00 0.00 H 
    14557  
    14558 Ignored bad PDB record found on line 111646 
    14559 ATOM 318a0 HWS SOL W4227 -86.018 51.142 -55.460 1.00 0.00 H 
    14560  
    14561 Ignored bad PDB record found on line 111647 
    14562 ATOM 318a2 OWS SOL W4228 -68.526 58.874 -74.561 1.00 0.00 O 
    14563  
    14564 46 messages similar to the above omitted 
    14565 Duplicate atom serial number found: 31900 
    14566 Duplicate atom serial number found: 31902 
    14567 Duplicate atom serial number found: 31904 
    14568 Duplicate atom serial number found: 31906 
    14569 Ignored bad PDB record found on line 111698 
    14570 ATOM 31908 OWS SOL W423a -58.087 56.899 -19.998 1.00 0.00 O 
    14571  
    14572 Ignored bad PDB record found on line 111699 
    14573 ATOM 3190a HWS SOL W423a -58.336 56.129 -19.486 1.00 0.00 H 
    14574  
    14575 Ignored bad PDB record found on line 111700 
    14576 ATOM 3190c HWS SOL W423a -57.303 56.627 -20.474 1.00 0.00 H 
    14577  
    14578 Ignored bad PDB record found on line 111701 
    14579 ATOM 3190e OWS SOL W423b -64.082 39.142 -32.310 1.00 0.00 O 
    14580  
    14581 Ignored bad PDB record found on line 111702 
    14582 ATOM 31910 HWS SOL W423b -63.128 39.194 -32.371 1.00 0.00 H 
    14583  
    14584 15 messages similar to the above omitted 
    14585 Duplicate atom serial number found: 31930 
    14586 Duplicate atom serial number found: 31932 
    14587 Duplicate atom serial number found: 31934 
    14588 Duplicate atom serial number found: 31936 
    14589 Duplicate atom serial number found: 31938 
    14590 Ignored bad PDB record found on line 111723 
    14591 ATOM 3193a HWS SOL W4242 -61.342 56.818 -47.183 1.00 0.00 H 
    14592  
    14593 Ignored bad PDB record found on line 111724 
    14594 ATOM 3193c HWS SOL W4242 -61.953 58.065 -47.787 1.00 0.00 H 
    14595  
    14596 Ignored bad PDB record found on line 111725 
    14597 ATOM 3193e OWS SOL W4243 -87.942 61.612 -15.721 1.00 0.00 O 
    14598  
    14599 Duplicate atom serial number found: 31940 
    14600 Duplicate atom serial number found: 31942 
    14601 Duplicate atom serial number found: 31944 
    14602 Duplicate atom serial number found: 31946 
    14603 Duplicate atom serial number found: 31948 
    14604 Ignored bad PDB record found on line 111731 
    14605 ATOM 3194a OWS SOL W4245 -78.657 61.552 -38.522 1.00 0.00 O 
    14606  
    14607 Ignored bad PDB record found on line 111732 
    14608 ATOM 3194c HWS SOL W4245 -78.169 60.729 -38.496 1.00 0.00 H 
    14609  
    14610 Ignored bad PDB record found on line 111733 
    14611 ATOM 3194e HWS SOL W4245 -78.035 62.189 -38.874 1.00 0.00 H 
    14612  
    14613 Duplicate atom serial number found: 31950 
    14614 Duplicate atom serial number found: 31952 
    14615 Duplicate atom serial number found: 31954 
    14616 Duplicate atom serial number found: 31956 
    14617 Duplicate atom serial number found: 31958 
    14618 Ignored bad PDB record found on line 111739 
    14619 ATOM 3195a HWS SOL W4247 -69.901 36.805 -1.979 1.00 0.00 H 
    14620  
    14621 Ignored bad PDB record found on line 111740 
    14622 ATOM 3195c OWS SOL W4248 90.038 51.728 -44.046 1.00 0.00 O 
    14623  
    14624 Ignored bad PDB record found on line 111741 
    14625 ATOM 3195e HWS SOL W4248 89.770 50.820 -44.184 1.00 0.00 H 
    14626  
    14627 Duplicate atom serial number found: 31960 
    14628 Duplicate atom serial number found: 31962 
    14629 Duplicate atom serial number found: 31964 
    14630 Duplicate atom serial number found: 31966 
    14631 Ignored bad PDB record found on line 111746 
    14632 ATOM 31968 OWS SOL W424a 81.574 42.149 -27.529 1.00 0.00 O 
    14633  
    14634 Ignored bad PDB record found on line 111747 
    14635 ATOM 3196a HWS SOL W424a 81.910 41.963 -26.652 1.00 0.00 H 
    14636  
    14637 Ignored bad PDB record found on line 111748 
    14638 ATOM 3196c HWS SOL W424a 80.623 42.110 -27.435 1.00 0.00 H 
    14639  
    14640 Ignored bad PDB record found on line 111749 
    14641 ATOM 3196e OWS SOL W424b 89.585 46.035 -50.440 1.00 0.00 O 
    14642  
    14643 Ignored bad PDB record found on line 111750 
    14644 ATOM 31970 HWS SOL W424b 89.703 46.699 -51.120 1.00 0.00 H 
    14645  
    14646 15 messages similar to the above omitted 
    14647 Duplicate atom serial number found: 31990 
    14648 Duplicate atom serial number found: 31992 
    14649 Duplicate atom serial number found: 31994 
    14650 Duplicate atom serial number found: 31996 
    14651 Duplicate atom serial number found: 31998 
    14652 Ignored bad PDB record found on line 111771 
    14653 ATOM 3199a HWS SOL W4252 -74.998 35.665 -8.600 1.00 0.00 H 
    14654  
    14655 Ignored bad PDB record found on line 111772 
    14656 ATOM 3199c HWS SOL W4252 -74.924 36.903 -9.468 1.00 0.00 H 
    14657  
    14658 Ignored bad PDB record found on line 111773 
    14659 ATOM 3199e OWS SOL W4253 -82.476 64.661 -33.229 1.00 0.00 O 
    14660  
    14661 Ignored bad PDB record found on line 111774 
    14662 ATOM 319a0 HWS SOL W4253 -82.494 64.774 -32.278 1.00 0.00 H 
    14663  
    14664 Ignored bad PDB record found on line 111775 
    14665 ATOM 319a2 HWS SOL W4253 -82.896 63.814 -33.377 1.00 0.00 H 
    14666  
    14667 814 messages similar to the above omitted 
    14668 Duplicate atom serial number found: 32000 
    14669 Duplicate atom serial number found: 32002 
    14670 Duplicate atom serial number found: 32004 
    14671 Duplicate atom serial number found: 32006 
    14672 Duplicate atom serial number found: 32008 
    14673 Ignored bad PDB record found on line 112595 
    14674 ATOM 3200a OWS SOL W4367 87.349 41.508 -34.692 1.00 0.00 O 
    14675  
    14676 Ignored bad PDB record found on line 112596 
    14677 ATOM 3200c HWS SOL W4367 88.016 40.887 -34.985 1.00 0.00 H 
    14678  
    14679 Ignored bad PDB record found on line 112597 
    14680 ATOM 3200e HWS SOL W4367 87.102 41.201 -33.820 1.00 0.00 H 
    14681  
    14682 Duplicate atom serial number found: 32010 
    14683 Duplicate atom serial number found: 32012 
    14684 Duplicate atom serial number found: 32014 
    14685 Duplicate atom serial number found: 32016 
    14686 Duplicate atom serial number found: 32018 
    14687 Ignored bad PDB record found on line 112603 
    14688 ATOM 3201a HWS SOL W4369 88.292 62.293 -27.659 1.00 0.00 H 
    14689  
    14690 Ignored bad PDB record found on line 112604 
    14691 ATOM 3201c OWS SOL W436a -80.287 78.630 -14.316 1.00 0.00 O 
    14692  
    14693 Ignored bad PDB record found on line 112605 
    14694 ATOM 3201e HWS SOL W436a -80.990 77.988 -14.219 1.00 0.00 H 
    14695  
    14696 Ignored bad PDB record found on line 112606 
    14697 ATOM 32020 HWS SOL W436a -80.286 79.111 -13.488 1.00 0.00 H 
    14698  
    14699 Ignored bad PDB record found on line 112607 
    14700 ATOM 32022 OWS SOL W436b -71.582 47.218 -35.341 1.00 0.00 O 
    14701  
    14702 14 messages similar to the above omitted 
    14703 Duplicate atom serial number found: 32040 
    14704 Duplicate atom serial number found: 32042 
    14705 Duplicate atom serial number found: 32044 
    14706 Duplicate atom serial number found: 32046 
    14707 Duplicate atom serial number found: 32048 
    14708 Ignored bad PDB record found on line 112627 
    14709 ATOM 3204a HWS SOL W4372 -61.545 58.838 -23.605 1.00 0.00 H 
    14710  
    14711 Ignored bad PDB record found on line 112628 
    14712 ATOM 3204c OWS SOL W4373 -81.662 56.343 -21.152 1.00 0.00 O 
    14713  
    14714 Ignored bad PDB record found on line 112629 
    14715 ATOM 3204e HWS SOL W4373 -82.520 56.300 -20.730 1.00 0.00 H 
    14716  
    14717 Duplicate atom serial number found: 32050 
    14718 Duplicate atom serial number found: 32052 
    14719 Duplicate atom serial number found: 32054 
    14720 Duplicate atom serial number found: 32056 
    14721 Duplicate atom serial number found: 32058 
    14722 Ignored bad PDB record found on line 112635 
    14723 ATOM 3205a HWS SOL W4375 -60.382 50.689 -31.490 1.00 0.00 H 
    14724  
    14725 Ignored bad PDB record found on line 112636 
    14726 ATOM 3205c HWS SOL W4375 -60.349 49.178 -31.578 1.00 0.00 H 
    14727  
    14728 Ignored bad PDB record found on line 112637 
    14729 ATOM 3205e OWS SOL W4376 -85.280 60.007 -12.828 1.00 0.00 O 
    14730  
    14731 Duplicate atom serial number found: 32060 
    14732 Duplicate atom serial number found: 32062 
    14733 Duplicate atom serial number found: 32064 
    14734 Duplicate atom serial number found: 32066 
    14735 Duplicate atom serial number found: 32068 
    14736 Ignored bad PDB record found on line 112643 
    14737 ATOM 3206a OWS SOL W4378 76.170 56.362 -37.539 1.00 0.00 O 
    14738  
    14739 Ignored bad PDB record found on line 112644 
    14740 ATOM 3206c HWS SOL W4378 75.659 56.261 -36.736 1.00 0.00 H 
    14741  
    14742 Ignored bad PDB record found on line 112645 
    14743 ATOM 3206e HWS SOL W4378 77.053 56.082 -37.299 1.00 0.00 H 
    14744  
    14745 Duplicate atom serial number found: 32070 
    14746 Duplicate atom serial number found: 32072 
    14747 Duplicate atom serial number found: 32074 
    14748 Ignored bad PDB record found on line 112649 
    14749 ATOM 32076 OWS SOL W437a -84.798 42.125 -31.609 1.00 0.00 O 
    14750  
    14751 Ignored bad PDB record found on line 112650 
    14752 ATOM 32078 HWS SOL W437a -83.855 42.280 -31.570 1.00 0.00 H 
    14753  
    14754 Ignored bad PDB record found on line 112651 
    14755 ATOM 3207a HWS SOL W437a -84.908 41.230 -31.290 1.00 0.00 H 
    14756  
    14757 Ignored bad PDB record found on line 112652 
    14758 ATOM 3207c OWS SOL W437b 84.713 70.434 -19.883 1.00 0.00 O 
    14759  
    14760 Ignored bad PDB record found on line 112653 
    14761 ATOM 3207e HWS SOL W437b 85.219 70.085 -20.616 1.00 0.00 H 
    14762  
    14763 64 messages similar to the above omitted 
    14764 Duplicate atom serial number found: 32100 
    14765 Duplicate atom serial number found: 32102 
    14766 Duplicate atom serial number found: 32104 
    14767 Duplicate atom serial number found: 32106 
    14768 Duplicate atom serial number found: 32108 
    14769 Ignored bad PDB record found on line 112723 
    14770 ATOM 3210a HWS SOL W4392 -85.320 67.258 -21.538 1.00 0.00 H 
    14771  
    14772 Ignored bad PDB record found on line 112724 
    14773 ATOM 3210c OWS SOL W4393 -90.020 49.457 -26.684 1.00 0.00 O 
    14774  
    14775 Ignored bad PDB record found on line 112725 
    14776 ATOM 3210e HWS SOL W4393 -90.800 49.203 -27.178 1.00 0.00 H 
    14777  
    14778 Duplicate atom serial number found: 32110 
    14779 Duplicate atom serial number found: 32112 
    14780 Duplicate atom serial number found: 32114 
    14781 Duplicate atom serial number found: 32116 
    14782 Duplicate atom serial number found: 32118 
    14783 Ignored bad PDB record found on line 112731 
    14784 ATOM 3211a HWS SOL W4395 77.349 62.113 -47.508 1.00 0.00 H 
    14785  
    14786 Ignored bad PDB record found on line 112732 
    14787 ATOM 3211c HWS SOL W4395 77.035 61.099 -46.428 1.00 0.00 H 
    14788  
    14789 Ignored bad PDB record found on line 112733 
    14790 ATOM 3211e OWS SOL W4396 -72.068 40.846 -10.718 1.00 0.00 O 
    14791  
    14792 Duplicate atom serial number found: 32120 
    14793 Duplicate atom serial number found: 32122 
    14794 Duplicate atom serial number found: 32124 
    14795 Duplicate atom serial number found: 32126 
    14796 Duplicate atom serial number found: 32128 
    14797 Ignored bad PDB record found on line 112739 
    14798 ATOM 3212a OWS SOL W4398 -75.242 77.000 -13.032 1.00 0.00 O 
    14799  
    14800 Ignored bad PDB record found on line 112740 
    14801 ATOM 3212c HWS SOL W4398 -74.515 76.378 -13.069 1.00 0.00 H 
    14802  
    14803 Ignored bad PDB record found on line 112741 
    14804 ATOM 3212e HWS SOL W4398 -76.004 76.466 -12.809 1.00 0.00 H 
    14805  
    14806 Duplicate atom serial number found: 32130 
    14807 Duplicate atom serial number found: 32132 
    14808 Duplicate atom serial number found: 32134 
    14809 Ignored bad PDB record found on line 112745 
    14810 ATOM 32136 OWS SOL W439a 77.770 43.550 -18.815 1.00 0.00 O 
    14811  
    14812 Ignored bad PDB record found on line 112746 
    14813 ATOM 32138 HWS SOL W439a 78.662 43.781 -19.073 1.00 0.00 H 
    14814  
    14815 Ignored bad PDB record found on line 112747 
    14816 ATOM 3213a HWS SOL W439a 77.850 42.678 -18.429 1.00 0.00 H 
    14817  
    14818 Ignored bad PDB record found on line 112748 
    14819 ATOM 3213c OWS SOL W439b -78.363 70.468 -35.030 1.00 0.00 O 
    14820  
    14821 Ignored bad PDB record found on line 112749 
    14822 ATOM 3213e HWS SOL W439b -78.172 69.531 -34.997 1.00 0.00 H 
    14823  
    14824 352 messages similar to the above omitted 
    14825 Duplicate atom serial number found: 32400 
    14826 Duplicate atom serial number found: 32402 
    14827 Duplicate atom serial number found: 32404 
    14828 Duplicate atom serial number found: 32406 
    14829 Duplicate atom serial number found: 32408 
    14830 Ignored bad PDB record found on line 113107 
    14831 ATOM 3240a HWS SOL W4413 -73.625 44.967 -29.564 1.00 0.00 H 
    14832  
    14833 Ignored bad PDB record found on line 113108 
    14834 ATOM 3240c OWS SOL W4414 -76.100 70.403 -31.541 1.00 0.00 O 
    14835  
    14836 Ignored bad PDB record found on line 113109 
    14837 ATOM 3240e HWS SOL W4414 -76.258 71.296 -31.235 1.00 0.00 H 
    14838  
    14839 Duplicate atom serial number found: 32410 
    14840 Duplicate atom serial number found: 32412 
    14841 Duplicate atom serial number found: 32414 
    14842 Duplicate atom serial number found: 32416 
    14843 Duplicate atom serial number found: 32418 
    14844 Ignored bad PDB record found on line 113115 
    14845 ATOM 3241a HWS SOL W4416 -87.687 74.008 -14.787 1.00 0.00 H 
    14846  
    14847 Ignored bad PDB record found on line 113116 
    14848 ATOM 3241c HWS SOL W4416 -86.665 74.952 -15.384 1.00 0.00 H 
    14849  
    14850 Ignored bad PDB record found on line 113117 
    14851 ATOM 3241e OWS SOL W4417 -78.197 81.711 -26.945 1.00 0.00 O 
    14852  
    14853 Duplicate atom serial number found: 32420 
    14854 Duplicate atom serial number found: 32422 
    14855 Duplicate atom serial number found: 32424 
    14856 Duplicate atom serial number found: 32426 
    14857 Duplicate atom serial number found: 32428 
    14858 Ignored bad PDB record found on line 113123 
    14859 ATOM 3242a OWS SOL W4419 -85.846 63.442 -4.725 1.00 0.00 O 
    14860  
    14861 Ignored bad PDB record found on line 113124 
    14862 ATOM 3242c HWS SOL W4419 -86.750 63.189 -4.538 1.00 0.00 H 
    14863  
    14864 Ignored bad PDB record found on line 113125 
    14865 ATOM 3242e HWS SOL W4419 -85.655 63.041 -5.573 1.00 0.00 H 
    14866  
    14867 Ignored bad PDB record found on line 113126 
    14868 ATOM 32430 OWS SOL W441a -78.188 55.918 -12.979 1.00 0.00 O 
    14869  
    14870 Ignored bad PDB record found on line 113127 
    14871 ATOM 32432 HWS SOL W441a -79.033 55.481 -12.872 1.00 0.00 H 
    14872  
    14873 16 messages similar to the above omitted 
    14874 Duplicate atom serial number found: 32454 
    14875 Duplicate atom serial number found: 32456 
    14876 Duplicate atom serial number found: 32458 
    14877 Ignored bad PDB record found on line 113147 
    14878 ATOM 3245a OWS SOL W4421 85.045 37.179 -44.533 1.00 0.00 O 
    14879  
    14880 Ignored bad PDB record found on line 113148 
    14881 ATOM 3245c HWS SOL W4421 84.999 37.217 -43.577 1.00 0.00 H 
    14882  
    14883 Ignored bad PDB record found on line 113149 
    14884 ATOM 3245e HWS SOL W4421 84.179 36.874 -44.803 1.00 0.00 H 
    14885  
    14886 Duplicate atom serial number found: 32460 
    14887 Duplicate atom serial number found: 32462 
    14888 Duplicate atom serial number found: 32464 
    14889 Duplicate atom serial number found: 32466 
    14890 Duplicate atom serial number found: 32468 
    14891 Ignored bad PDB record found on line 113155 
    14892 ATOM 3246a HWS SOL W4423 -80.356 25.051 -44.487 1.00 0.00 H 
    14893  
    14894 Ignored bad PDB record found on line 113156 
    14895 ATOM 3246c OWS SOL W4424 -88.801 80.029 -23.431 1.00 0.00 O 
    14896  
    14897 Ignored bad PDB record found on line 113157 
    14898 ATOM 3246e HWS SOL W4424 -87.868 80.119 -23.236 1.00 0.00 H 
    14899  
    14900 Duplicate atom serial number found: 32470 
    14901 Duplicate atom serial number found: 32472 
    14902 Duplicate atom serial number found: 32474 
    14903 Duplicate atom serial number found: 32476 
    14904 Duplicate atom serial number found: 32478 
    14905 Ignored bad PDB record found on line 113163 
    14906 ATOM 3247a HWS SOL W4426 -79.590 48.148 -34.952 1.00 0.00 H 
    14907  
    14908 Ignored bad PDB record found on line 113164 
    14909 ATOM 3247c HWS SOL W4426 -79.819 46.818 -34.266 1.00 0.00 H 
    14910  
    14911 Ignored bad PDB record found on line 113165 
    14912 ATOM 3247e OWS SOL W4427 -77.872 55.294 -33.025 1.00 0.00 O 
    14913  
    14914 Duplicate atom serial number found: 32480 
    14915 Duplicate atom serial number found: 32482 
    14916 Duplicate atom serial number found: 32484 
    14917 Duplicate atom serial number found: 32486 
    14918 Duplicate atom serial number found: 32488 
    14919 Ignored bad PDB record found on line 113171 
    14920 ATOM 3248a OWS SOL W4429 -69.270 56.102 -20.641 1.00 0.00 O 
    14921  
    14922 Ignored bad PDB record found on line 113172 
    14923 ATOM 3248c HWS SOL W4429 -70.177 55.832 -20.790 1.00 0.00 H 
    14924  
    14925 Ignored bad PDB record found on line 113173 
    14926 ATOM 3248e HWS SOL W4429 -69.094 55.861 -19.732 1.00 0.00 H 
    14927  
    14928 Ignored bad PDB record found on line 113174 
    14929 ATOM 32490 OWS SOL W442a -76.220 84.857 -20.987 1.00 0.00 O 
    14930  
    14931 Ignored bad PDB record found on line 113175 
    14932 ATOM 32492 HWS SOL W442a -76.242 85.722 -21.395 1.00 0.00 H 
    14933  
    14934 62 messages similar to the above omitted 
    14935 Duplicate atom serial number found: 32510 
    14936 Duplicate atom serial number found: 32512 
    14937 Duplicate atom serial number found: 32514 
    14938 Duplicate atom serial number found: 32516 
    14939 Duplicate atom serial number found: 32518 
    14940 Ignored bad PDB record found on line 113243 
    14941 ATOM 3251a OWS SOL W4442 -87.817 55.013 -20.196 1.00 0.00 O 
    14942  
    14943 Ignored bad PDB record found on line 113244 
    14944 ATOM 3251c HWS SOL W4442 -88.037 54.087 -20.298 1.00 0.00 H 
    14945  
    14946 Ignored bad PDB record found on line 113245 
    14947 ATOM 3251e HWS SOL W4442 -87.292 55.221 -20.970 1.00 0.00 H 
    14948  
    14949 Duplicate atom serial number found: 32520 
    14950 Duplicate atom serial number found: 32522 
    14951 Duplicate atom serial number found: 32524 
    14952 Duplicate atom serial number found: 32526 
    14953 Duplicate atom serial number found: 32528 
    14954 Ignored bad PDB record found on line 113251 
    14955 ATOM 3252a HWS SOL W4444 -74.661 39.674 -26.532 1.00 0.00 H 
    14956  
    14957 Ignored bad PDB record found on line 113252 
    14958 ATOM 3252c OWS SOL W4445 78.165 50.725 -14.230 1.00 0.00 O 
    14959  
    14960 Ignored bad PDB record found on line 113253 
    14961 ATOM 3252e HWS SOL W4445 78.329 51.147 -15.073 1.00 0.00 H 
    14962  
    14963 Duplicate atom serial number found: 32530 
    14964 Duplicate atom serial number found: 32532 
    14965 Duplicate atom serial number found: 32534 
    14966 Duplicate atom serial number found: 32536 
    14967 Duplicate atom serial number found: 32538 
    14968 Ignored bad PDB record found on line 113259 
    14969 ATOM 3253a HWS SOL W4447 -72.008 57.674 -21.452 1.00 0.00 H 
    14970  
    14971 Ignored bad PDB record found on line 113260 
    14972 ATOM 3253c HWS SOL W4447 -72.600 57.492 -22.833 1.00 0.00 H 
    14973  
    14974 Ignored bad PDB record found on line 113261 
    14975 ATOM 3253e OWS SOL W4448 89.477 50.046 7.263 1.00 0.00 O 
    14976  
    14977 Duplicate atom serial number found: 32540 
    14978 Duplicate atom serial number found: 32542 
    14979 Duplicate atom serial number found: 32544 
    14980 Duplicate atom serial number found: 32546 
    14981 Duplicate atom serial number found: 32548 
    14982 Ignored bad PDB record found on line 113267 
    14983 ATOM 3254a OWS SOL W444a 87.763 53.727 -8.676 1.00 0.00 O 
    14984  
    14985 Ignored bad PDB record found on line 113268 
    14986 ATOM 3254c HWS SOL W444a 86.881 54.020 -8.907 1.00 0.00 H 
    14987  
    14988 Ignored bad PDB record found on line 113269 
    14989 ATOM 3254e HWS SOL W444a 88.103 54.416 -8.105 1.00 0.00 H 
    14990  
    14991 Ignored bad PDB record found on line 113270 
    14992 ATOM 32550 OWS SOL W444b -68.932 55.896 5.490 1.00 0.00 O 
    14993  
    14994 Ignored bad PDB record found on line 113271 
    14995 ATOM 32552 HWS SOL W444b -68.813 55.166 6.097 1.00 0.00 H 
    14996  
    14997 14 messages similar to the above omitted 
    14998 Duplicate atom serial number found: 32570 
    14999 Duplicate atom serial number found: 32572 
    15000 Duplicate atom serial number found: 32574 
    15001 Duplicate atom serial number found: 32576 
    15002 Duplicate atom serial number found: 32578 
    15003 Ignored bad PDB record found on line 113291 
    15004 ATOM 3257a OWS SOL W4452 -74.062 46.617 -1.538 1.00 0.00 O 
    15005  
    15006 Ignored bad PDB record found on line 113292 
    15007 ATOM 3257c HWS SOL W4452 -73.468 46.132 -0.965 1.00 0.00 H 
    15008  
    15009 Ignored bad PDB record found on line 113293 
    15010 ATOM 3257e HWS SOL W4452 -74.142 47.478 -1.126 1.00 0.00 H 
    15011  
    15012 Duplicate atom serial number found: 32580 
    15013 Duplicate atom serial number found: 32582 
    15014 Duplicate atom serial number found: 32584 
    15015 Duplicate atom serial number found: 32586 
    15016 Duplicate atom serial number found: 32588 
    15017 Ignored bad PDB record found on line 113299 
    15018 ATOM 3258a HWS SOL W4454 -72.528 61.241 -0.260 1.00 0.00 H 
    15019  
    15020 Ignored bad PDB record found on line 113300 
    15021 ATOM 3258c OWS SOL W4455 -84.155 72.436 10.897 1.00 0.00 O 
    15022  
    15023 Ignored bad PDB record found on line 113301 
    15024 ATOM 3258e HWS SOL W4455 -83.234 72.633 10.727 1.00 0.00 H 
    15025  
    15026 Duplicate atom serial number found: 32590 
    15027 Duplicate atom serial number found: 32592 
    15028 Duplicate atom serial number found: 32594 
    15029 Duplicate atom serial number found: 32596 
    15030 Duplicate atom serial number found: 32598 
    15031 Ignored bad PDB record found on line 113307 
    15032 ATOM 3259a HWS SOL W4457 82.839 84.418 -4.954 1.00 0.00 H 
    15033  
    15034 Ignored bad PDB record found on line 113308 
    15035 ATOM 3259c HWS SOL W4457 81.863 83.270 -5.100 1.00 0.00 H 
    15036  
    15037 Ignored bad PDB record found on line 113309 
    15038 ATOM 3259e OWS SOL W4458 -62.230 59.548 1.304 1.00 0.00 O 
    15039  
    15040 Ignored bad PDB record found on line 113310 
    15041 ATOM 325a0 HWS SOL W4458 -62.085 58.628 1.080 1.00 0.00 H 
    15042  
    15043 Ignored bad PDB record found on line 113311 
    15044 ATOM 325a2 HWS SOL W4458 -61.379 59.964 1.171 1.00 0.00 H 
    15045  
    15046 46 messages similar to the above omitted 
    15047 Duplicate atom serial number found: 32600 
    15048 Duplicate atom serial number found: 32602 
    15049 Duplicate atom serial number found: 32604 
    15050 Duplicate atom serial number found: 32606 
    15051 Duplicate atom serial number found: 32608 
    15052 Ignored bad PDB record found on line 113363 
    15053 ATOM 3260a OWS SOL W446a -57.063 41.414 -10.656 1.00 0.00 O 
    15054  
    15055 Ignored bad PDB record found on line 113364 
    15056 ATOM 3260c HWS SOL W446a -56.252 41.783 -10.306 1.00 0.00 H 
    15057  
    15058 Ignored bad PDB record found on line 113365 
    15059 ATOM 3260e HWS SOL W446a -57.638 41.333 -9.895 1.00 0.00 H 
    15060  
    15061 Ignored bad PDB record found on line 113366 
    15062 ATOM 32610 OWS SOL W446b -78.885 53.105 -18.839 1.00 0.00 O 
    15063  
    15064 Ignored bad PDB record found on line 113367 
    15065 ATOM 32612 HWS SOL W446b -79.734 52.832 -18.493 1.00 0.00 H 
    15066  
    15067 14 messages similar to the above omitted 
    15068 Duplicate atom serial number found: 32630 
    15069 Duplicate atom serial number found: 32632 
    15070 Duplicate atom serial number found: 32634 
    15071 Duplicate atom serial number found: 32636 
    15072 Duplicate atom serial number found: 32638 
    15073 Ignored bad PDB record found on line 113387 
    15074 ATOM 3263a OWS SOL W4472 -85.451 60.340 -5.240 1.00 0.00 O 
    15075  
    15076 Ignored bad PDB record found on line 113388 
    15077 ATOM 3263c HWS SOL W4472 -84.499 60.308 -5.335 1.00 0.00 H 
    15078  
    15079 Ignored bad PDB record found on line 113389 
    15080 ATOM 3263e HWS SOL W4472 -85.742 60.932 -5.933 1.00 0.00 H 
    15081  
    15082 Duplicate atom serial number found: 32640 
    15083 Duplicate atom serial number found: 32642 
    15084 Duplicate atom serial number found: 32644 
    15085 Duplicate atom serial number found: 32646 
    15086 Duplicate atom serial number found: 32648 
    15087 Ignored bad PDB record found on line 113395 
    15088 ATOM 3264a HWS SOL W4474 77.701 74.035 -1.711 1.00 0.00 H 
    15089  
    15090 Ignored bad PDB record found on line 113396 
    15091 ATOM 3264c OWS SOL W4475 -79.364 43.086 11.568 1.00 0.00 O 
    15092  
    15093 Ignored bad PDB record found on line 113397 
    15094 ATOM 3264e HWS SOL W4475 -79.875 42.488 11.022 1.00 0.00 H 
    15095  
    15096 Duplicate atom serial number found: 32650 
    15097 Duplicate atom serial number found: 32652 
    15098 Duplicate atom serial number found: 32654 
    15099 Duplicate atom serial number found: 32656 
    15100 Duplicate atom serial number found: 32658 
    15101 Ignored bad PDB record found on line 113403 
    15102 ATOM 3265a HWS SOL W4477 -64.602 46.541 1.410 1.00 0.00 H 
    15103  
    15104 Ignored bad PDB record found on line 113404 
    15105 ATOM 3265c HWS SOL W4477 -64.177 46.305 -0.024 1.00 0.00 H 
    15106  
    15107 Ignored bad PDB record found on line 113405 
    15108 ATOM 3265e OWS SOL W4478 -53.511 42.151 -0.858 1.00 0.00 O 
    15109  
    15110 Duplicate atom serial number found: 32660 
    15111 Duplicate atom serial number found: 32662 
    15112 Duplicate atom serial number found: 32664 
    15113 Duplicate atom serial number found: 32666 
    15114 Duplicate atom serial number found: 32668 
    15115 Ignored bad PDB record found on line 113411 
    15116 ATOM 3266a OWS SOL W447a -66.230 38.589 -6.885 1.00 0.00 O 
    15117  
    15118 Ignored bad PDB record found on line 113412 
    15119 ATOM 3266c HWS SOL W447a -65.450 38.117 -7.176 1.00 0.00 H 
    15120  
    15121 Ignored bad PDB record found on line 113413 
    15122 ATOM 3266e HWS SOL W447a -66.831 38.541 -7.629 1.00 0.00 H 
    15123  
    15124 Ignored bad PDB record found on line 113414 
    15125 ATOM 32670 OWS SOL W447b -83.180 77.214 -8.820 1.00 0.00 O 
    15126  
    15127 Ignored bad PDB record found on line 113415 
    15128 ATOM 32672 HWS SOL W447b -83.889 77.678 -9.265 1.00 0.00 H 
    15129  
    15130 14 messages similar to the above omitted 
    15131 Duplicate atom serial number found: 32690 
    15132 Duplicate atom serial number found: 32692 
    15133 Duplicate atom serial number found: 32694 
    15134 Duplicate atom serial number found: 32696 
    15135 Duplicate atom serial number found: 32698 
    15136 Ignored bad PDB record found on line 113435 
    15137 ATOM 3269a OWS SOL W4482 -88.875 57.438 -20.341 1.00 0.00 O 
    15138  
    15139 Ignored bad PDB record found on line 113436 
    15140 ATOM 3269c HWS SOL W4482 -88.446 56.593 -20.203 1.00 0.00 H 
    15141  
    15142 Ignored bad PDB record found on line 113437 
    15143 ATOM 3269e HWS SOL W4482 -88.372 57.851 -21.042 1.00 0.00 H 
    15144  
    15145 Ignored bad PDB record found on line 113438 
    15146 ATOM 326a0 OWS SOL W4483 -86.212 74.259 -6.999 1.00 0.00 O 
    15147  
    15148 Ignored bad PDB record found on line 113439 
    15149 ATOM 326a2 HWS SOL W4483 -87.131 74.524 -7.019 1.00 0.00 H 
    15150  
    15151 46 messages similar to the above omitted 
    15152 Duplicate atom serial number found: 32700 
    15153 Duplicate atom serial number found: 32702 
    15154 Duplicate atom serial number found: 32704 
    15155 Duplicate atom serial number found: 32706 
    15156 Duplicate atom serial number found: 32708 
    15157 Ignored bad PDB record found on line 113491 
    15158 ATOM 3270a HWS SOL W4494 -79.349 72.668 -6.857 1.00 0.00 H 
    15159  
    15160 Ignored bad PDB record found on line 113492 
    15161 ATOM 3270c OWS SOL W4495 87.922 71.358 -19.342 1.00 0.00 O 
    15162  
    15163 Ignored bad PDB record found on line 113493 
    15164 ATOM 3270e HWS SOL W4495 88.106 70.968 -20.197 1.00 0.00 H 
    15165  
    15166 Duplicate atom serial number found: 32710 
    15167 Duplicate atom serial number found: 32712 
    15168 Duplicate atom serial number found: 32714 
    15169 Duplicate atom serial number found: 32716 
    15170 Duplicate atom serial number found: 32718 
    15171 Ignored bad PDB record found on line 113499 
    15172 ATOM 3271a HWS SOL W4497 -65.544 69.195 -23.539 1.00 0.00 H 
    15173  
    15174 Ignored bad PDB record found on line 113500 
    15175 ATOM 3271c HWS SOL W4497 -65.554 70.678 -23.235 1.00 0.00 H 
    15176  
    15177 Ignored bad PDB record found on line 113501 
    15178 ATOM 3271e OWS SOL W4498 -81.483 36.630 -6.450 1.00 0.00 O 
    15179  
    15180 Duplicate atom serial number found: 32720 
    15181 Duplicate atom serial number found: 32722 
    15182 Duplicate atom serial number found: 32724 
    15183 Duplicate atom serial number found: 32726 
    15184 Duplicate atom serial number found: 32728 
    15185 Ignored bad PDB record found on line 113507 
    15186 ATOM 3272a OWS SOL W449a -71.186 80.717 2.463 1.00 0.00 O 
    15187  
    15188 Ignored bad PDB record found on line 113508 
    15189 ATOM 3272c HWS SOL W449a -70.984 80.274 3.287 1.00 0.00 H 
    15190  
    15191 Ignored bad PDB record found on line 113509 
    15192 ATOM 3272e HWS SOL W449a -71.775 81.430 2.712 1.00 0.00 H 
    15193  
    15194 Ignored bad PDB record found on line 113510 
    15195 ATOM 32730 OWS SOL W449b -73.600 44.278 10.440 1.00 0.00 O 
    15196  
    15197 Ignored bad PDB record found on line 113511 
    15198 ATOM 32732 HWS SOL W449b -72.760 43.986 10.087 1.00 0.00 H 
    15199  
    15200 298 messages similar to the above omitted 
    15201 Duplicate atom serial number found: 32988 
    15202 Ignored bad PDB record found on line 113811 
    15203 ATOM 3298a HWS SOL W4500 -63.219 78.144 13.032 1.00 0.00 H 
    15204  
    15205 Ignored bad PDB record found on line 113812 
    15206 ATOM 3298c HWS SOL W4500 -62.781 76.746 13.412 1.00 0.00 H 
    15207  
    15208 Ignored bad PDB record found on line 113813 
    15209 ATOM 3298e OWS SOL W4501 86.987 53.278 -19.387 1.00 0.00 O 
    15210  
    15211 Duplicate atom serial number found: 32990 
    15212 Duplicate atom serial number found: 32992 
    15213 Duplicate atom serial number found: 32994 
    15214 Duplicate atom serial number found: 32996 
    15215 Duplicate atom serial number found: 32998 
    15216 Ignored bad PDB record found on line 113819 
    15217 ATOM 3299a OWS SOL W4503 86.458 54.037 -15.596 1.00 0.00 O 
    15218  
    15219 Ignored bad PDB record found on line 113820 
    15220 ATOM 3299c HWS SOL W4503 86.049 54.614 -16.242 1.00 0.00 H 
    15221  
    15222 Ignored bad PDB record found on line 113821 
    15223 ATOM 3299e HWS SOL W4503 85.759 53.438 -15.333 1.00 0.00 H 
    15224  
    15225 Ignored bad PDB record found on line 113822 
    15226 ATOM 329a0 OWS SOL W4504 -63.814 61.313 7.631 1.00 0.00 O 
    15227  
    15228 Ignored bad PDB record found on line 113823 
    15229 ATOM 329a2 HWS SOL W4504 -64.542 61.889 7.395 1.00 0.00 H 
    15230  
    15231 814 messages similar to the above omitted 
    15232 Duplicate atom serial number found: 33000 
    15233 Duplicate atom serial number found: 33002 
    15234 Duplicate atom serial number found: 33004 
    15235 Duplicate atom serial number found: 33006 
    15236 Duplicate atom serial number found: 33008 
    15237 Ignored bad PDB record found on line 114643 
    15238 ATOM 3300a HWS SOL W4617 -75.637 66.614 15.818 1.00 0.00 H 
    15239  
    15240 Ignored bad PDB record found on line 114644 
    15241 ATOM 3300c OWS SOL W4618 88.462 49.361 17.691 1.00 0.00 O 
    15242  
    15243 Ignored bad PDB record found on line 114645 
    15244 ATOM 3300e HWS SOL W4618 87.643 49.456 18.178 1.00 0.00 H 
    15245  
    15246 Duplicate atom serial number found: 33010 
    15247 Duplicate atom serial number found: 33012 
    15248 Duplicate atom serial number found: 33014 
    15249 Duplicate atom serial number found: 33016 
    15250 Ignored bad PDB record found on line 114650 
    15251 ATOM 33018 OWS SOL W461a -77.972 69.613 18.214 1.00 0.00 O 
    15252  
    15253 Ignored bad PDB record found on line 114651 
    15254 ATOM 3301a HWS SOL W461a -77.867 68.733 17.852 1.00 0.00 H 
    15255  
    15256 Ignored bad PDB record found on line 114652 
    15257 ATOM 3301c HWS SOL W461a -77.714 70.198 17.502 1.00 0.00 H 
    15258  
    15259 Ignored bad PDB record found on line 114653 
    15260 ATOM 3301e OWS SOL W461b -83.894 51.693 -22.476 1.00 0.00 O 
    15261  
    15262 Ignored bad PDB record found on line 114654 
    15263 ATOM 33020 HWS SOL W461b -84.167 52.248 -21.746 1.00 0.00 H 
    15264  
    15265 15 messages similar to the above omitted 
    15266 Duplicate atom serial number found: 33040 
    15267 Duplicate atom serial number found: 33042 
    15268 Duplicate atom serial number found: 33044 
    15269 Duplicate atom serial number found: 33046 
    15270 Duplicate atom serial number found: 33048 
    15271 Ignored bad PDB record found on line 114675 
    15272 ATOM 3304a HWS SOL W4622 -76.580 50.964 0.556 1.00 0.00 H 
    15273  
    15274 Ignored bad PDB record found on line 114676 
    15275 ATOM 3304c HWS SOL W4622 -76.172 52.383 0.890 1.00 0.00 H 
    15276  
    15277 Ignored bad PDB record found on line 114677 
    15278 ATOM 3304e OWS SOL W4623 -70.207 48.888 14.725 1.00 0.00 O 
    15279  
    15280 Duplicate atom serial number found: 33050 
    15281 Duplicate atom serial number found: 33052 
    15282 Duplicate atom serial number found: 33054 
    15283 Duplicate atom serial number found: 33056 
    15284 Duplicate atom serial number found: 33058 
    15285 Ignored bad PDB record found on line 114683 
    15286 ATOM 3305a OWS SOL W4625 -89.285 48.200 -14.016 1.00 0.00 O 
    15287  
    15288 Ignored bad PDB record found on line 114684 
    15289 ATOM 3305c HWS SOL W4625 -89.110 48.146 -14.956 1.00 0.00 H 
    15290  
    15291 Ignored bad PDB record found on line 114685 
    15292 ATOM 3305e HWS SOL W4625 -88.814 48.982 -13.729 1.00 0.00 H 
    15293  
    15294 Duplicate atom serial number found: 33060 
    15295 Duplicate atom serial number found: 33062 
    15296 Duplicate atom serial number found: 33064 
    15297 Duplicate atom serial number found: 33066 
    15298 Duplicate atom serial number found: 33068 
    15299 Ignored bad PDB record found on line 114691 
    15300 ATOM 3306a HWS SOL W4627 -42.422 50.363 18.624 1.00 0.00 H 
    15301  
    15302 Ignored bad PDB record found on line 114692 
    15303 ATOM 3306c OWS SOL W4628 -69.040 76.933 7.734 1.00 0.00 O 
    15304  
    15305 Ignored bad PDB record found on line 114693 
    15306 ATOM 3306e HWS SOL W4628 -69.063 76.063 8.132 1.00 0.00 H 
    15307  
    15308 Duplicate atom serial number found: 33070 
    15309 Duplicate atom serial number found: 33072 
    15310 Duplicate atom serial number found: 33074 
    15311 Duplicate atom serial number found: 33076 
    15312 Ignored bad PDB record found on line 114698 
    15313 ATOM 33078 OWS SOL W462a -72.158 -83.125 -17.595 1.00 0.00 O 
    15314  
    15315 Ignored bad PDB record found on line 114699 
    15316 ATOM 3307a HWS SOL W462a -72.489 -83.157 -16.697 1.00 0.00 H 
    15317  
    15318 Ignored bad PDB record found on line 114700 
    15319 ATOM 3307c HWS SOL W462a -72.122 -84.041 -17.870 1.00 0.00 H 
    15320  
    15321 Ignored bad PDB record found on line 114701 
    15322 ATOM 3307e OWS SOL W462b -79.196 77.860 -7.977 1.00 0.00 O 
    15323  
    15324 Ignored bad PDB record found on line 114702 
    15325 ATOM 33080 HWS SOL W462b -78.252 77.866 -8.133 1.00 0.00 H 
    15326  
    15327 63 messages similar to the above omitted 
    15328 Duplicate atom serial number found: 33100 
    15329 Duplicate atom serial number found: 33102 
    15330 Duplicate atom serial number found: 33104 
    15331 Duplicate atom serial number found: 33106 
    15332 Duplicate atom serial number found: 33108 
    15333 Ignored bad PDB record found on line 114771 
    15334 ATOM 3310a HWS SOL W4642 -85.799 66.795 0.547 1.00 0.00 H 
    15335  
    15336 Ignored bad PDB record found on line 114772 
    15337 ATOM 3310c HWS SOL W4642 -84.470 66.112 0.789 1.00 0.00 H 
    15338  
    15339 Ignored bad PDB record found on line 114773 
    15340 ATOM 3310e OWS SOL W4643 -71.176 52.933 -0.962 1.00 0.00 O 
    15341  
    15342 Duplicate atom serial number found: 33110 
    15343 Duplicate atom serial number found: 33112 
    15344 Duplicate atom serial number found: 33114 
    15345 Duplicate atom serial number found: 33116 
    15346 Duplicate atom serial number found: 33118 
    15347 Ignored bad PDB record found on line 114779 
    15348 ATOM 3311a OWS SOL W4645 -81.603 64.797 -12.065 1.00 0.00 O 
    15349  
    15350 Ignored bad PDB record found on line 114780 
    15351 ATOM 3311c HWS SOL W4645 -82.482 64.632 -11.723 1.00 0.00 H 
    15352  
    15353 Ignored bad PDB record found on line 114781 
    15354 ATOM 3311e HWS SOL W4645 -81.207 65.394 -11.430 1.00 0.00 H 
    15355  
    15356 Duplicate atom serial number found: 33120 
    15357 Duplicate atom serial number found: 33122 
    15358 Duplicate atom serial number found: 33124 
    15359 Duplicate atom serial number found: 33126 
    15360 Duplicate atom serial number found: 33128 
    15361 Ignored bad PDB record found on line 114787 
    15362 ATOM 3312a HWS SOL W4647 -73.639 39.151 17.072 1.00 0.00 H 
    15363  
    15364 Ignored bad PDB record found on line 114788 
    15365 ATOM 3312c OWS SOL W4648 -85.643 48.688 15.781 1.00 0.00 O 
    15366  
    15367 Ignored bad PDB record found on line 114789 
    15368 ATOM 3312e HWS SOL W4648 -85.232 49.552 15.813 1.00 0.00 H 
    15369  
    15370 Duplicate atom serial number found: 33130 
    15371 Duplicate atom serial number found: 33132 
    15372 Duplicate atom serial number found: 33134 
    15373 Duplicate atom serial number found: 33136 
    15374 Ignored bad PDB record found on line 114794 
    15375 ATOM 33138 OWS SOL W464a -74.802 78.708 37.113 1.00 0.00 O 
    15376  
    15377 Ignored bad PDB record found on line 114795 
    15378 ATOM 3313a HWS SOL W464a -75.505 78.212 36.694 1.00 0.00 H 
    15379  
    15380 Ignored bad PDB record found on line 114796 
    15381 ATOM 3313c HWS SOL W464a -75.247 79.255 37.760 1.00 0.00 H 
    15382  
    15383 Ignored bad PDB record found on line 114797 
    15384 ATOM 3313e OWS SOL W464b -52.882 63.178 0.086 1.00 0.00 O 
    15385  
    15386 Ignored bad PDB record found on line 114798 
    15387 ATOM 33140 HWS SOL W464b -53.114 63.589 -0.747 1.00 0.00 H 
    15388  
    15389 15 messages similar to the above omitted 
    15390 Duplicate atom serial number found: 33160 
    15391 Duplicate atom serial number found: 33162 
    15392 Duplicate atom serial number found: 33164 
    15393 Duplicate atom serial number found: 33166 
    15394 Duplicate atom serial number found: 33168 
    15395 Ignored bad PDB record found on line 114819 
    15396 ATOM 3316a HWS SOL W4652 -69.132 70.102 0.856 1.00 0.00 H 
    15397  
    15398 Ignored bad PDB record found on line 114820 
    15399 ATOM 3316c HWS SOL W4652 -67.766 70.139 1.507 1.00 0.00 H 
    15400  
    15401 Ignored bad PDB record found on line 114821 
    15402 ATOM 3316e OWS SOL W4653 -67.111 63.367 -14.937 1.00 0.00 O 
    15403  
    15404 Duplicate atom serial number found: 33170 
    15405 Duplicate atom serial number found: 33172 
    15406 Duplicate atom serial number found: 33174 
    15407 Duplicate atom serial number found: 33176 
    15408 Duplicate atom serial number found: 33178 
    15409 Ignored bad PDB record found on line 114827 
    15410 ATOM 3317a OWS SOL W4655 -79.632 66.143 15.367 1.00 0.00 O 
    15411  
    15412 Ignored bad PDB record found on line 114828 
    15413 ATOM 3317c HWS SOL W4655 -79.386 66.046 16.287 1.00 0.00 H 
    15414  
    15415 Ignored bad PDB record found on line 114829 
    15416 ATOM 3317e HWS SOL W4655 -79.436 67.058 15.162 1.00 0.00 H 
    15417  
    15418 Duplicate atom serial number found: 33180 
    15419 Duplicate atom serial number found: 33182 
    15420 Duplicate atom serial number found: 33184 
    15421 Duplicate atom serial number found: 33186 
    15422 Duplicate atom serial number found: 33188 
    15423 Ignored bad PDB record found on line 114835 
    15424 ATOM 3318a HWS SOL W4657 -77.381 62.994 -5.946 1.00 0.00 H 
    15425  
    15426 Ignored bad PDB record found on line 114836 
    15427 ATOM 3318c OWS SOL W4658 -83.794 90.002 -0.684 1.00 0.00 O 
    15428  
    15429 Ignored bad PDB record found on line 114837 
    15430 ATOM 3318e HWS SOL W4658 -83.137 90.174 -0.009 1.00 0.00 H 
    15431  
    15432 Duplicate atom serial number found: 33190 
    15433 Duplicate atom serial number found: 33192 
    15434 Duplicate atom serial number found: 33194 
    15435 Duplicate atom serial number found: 33196 
    15436 Ignored bad PDB record found on line 114842 
    15437 ATOM 33198 OWS SOL W465a -70.803 61.613 -10.145 1.00 0.00 O 
    15438  
    15439 Ignored bad PDB record found on line 114843 
    15440 ATOM 3319a HWS SOL W465a -69.879 61.375 -10.228 1.00 0.00 H 
    15441  
    15442 Ignored bad PDB record found on line 114844 
    15443 ATOM 3319c HWS SOL W465a -70.886 62.428 -10.639 1.00 0.00 H 
    15444  
    15445 Ignored bad PDB record found on line 114845 
    15446 ATOM 3319e OWS SOL W465b -81.748 78.750 -19.407 1.00 0.00 O 
    15447  
    15448 Ignored bad PDB record found on line 114846 
    15449 ATOM 331a0 HWS SOL W465b -80.887 78.334 -19.439 1.00 0.00 H 
    15450  
    15451 63 messages similar to the above omitted 
    15452 Duplicate atom serial number found: 33220 
    15453 Duplicate atom serial number found: 33222 
    15454 Duplicate atom serial number found: 33224 
    15455 Duplicate atom serial number found: 33226 
    15456 Duplicate atom serial number found: 33228 
    15457 Ignored bad PDB record found on line 114915 
    15458 ATOM 3322a HWS SOL W4672 -85.776 76.259 16.897 1.00 0.00 H 
    15459  
    15460 Ignored bad PDB record found on line 114916 
    15461 ATOM 3322c HWS SOL W4672 -86.550 75.364 15.953 1.00 0.00 H 
    15462  
    15463 Ignored bad PDB record found on line 114917 
    15464 ATOM 3322e OWS SOL W4673 -38.991 43.591 21.918 1.00 0.00 O 
    15465  
    15466 Duplicate atom serial number found: 33230 
    15467 Duplicate atom serial number found: 33232 
    15468 Duplicate atom serial number found: 33234 
    15469 Duplicate atom serial number found: 33236 
    15470 Duplicate atom serial number found: 33238 
    15471 Ignored bad PDB record found on line 114923 
    15472 ATOM 3323a OWS SOL W4675 -75.142 62.062 27.329 1.00 0.00 O 
    15473  
    15474 Ignored bad PDB record found on line 114924 
    15475 ATOM 3323c HWS SOL W4675 -74.962 62.760 27.958 1.00 0.00 H 
    15476  
    15477 Ignored bad PDB record found on line 114925 
    15478 ATOM 3323e HWS SOL W4675 -75.227 61.272 27.863 1.00 0.00 H 
    15479  
    15480 Duplicate atom serial number found: 33240 
    15481 Duplicate atom serial number found: 33242 
    15482 Duplicate atom serial number found: 33244 
    15483 Duplicate atom serial number found: 33246 
    15484 Duplicate atom serial number found: 33248 
    15485 Ignored bad PDB record found on line 114931 
    15486 ATOM 3324a HWS SOL W4677 -71.432 55.624 20.831 1.00 0.00 H 
    15487  
    15488 Ignored bad PDB record found on line 114932 
    15489 ATOM 3324c OWS SOL W4678 -89.178 38.360 44.016 1.00 0.00 O 
    15490  
    15491 Ignored bad PDB record found on line 114933 
    15492 ATOM 3324e HWS SOL W4678 -88.231 38.327 44.150 1.00 0.00 H 
    15493  
    15494 Duplicate atom serial number found: 33250 
    15495 Duplicate atom serial number found: 33252 
    15496 Duplicate atom serial number found: 33254 
    15497 Duplicate atom serial number found: 33256 
    15498 Ignored bad PDB record found on line 114938 
    15499 ATOM 33258 OWS SOL W467a -84.345 45.720 37.021 1.00 0.00 O 
    15500  
    15501 Ignored bad PDB record found on line 114939 
    15502 ATOM 3325a HWS SOL W467a -84.430 44.771 37.109 1.00 0.00 H 
    15503  
    15504 Ignored bad PDB record found on line 114940 
    15505 ATOM 3325c HWS SOL W467a -83.657 45.840 36.366 1.00 0.00 H 
    15506  
    15507 Ignored bad PDB record found on line 114941 
    15508 ATOM 3325e OWS SOL W467b -88.040 38.366 15.745 1.00 0.00 O 
    15509  
    15510 Ignored bad PDB record found on line 114942 
    15511 ATOM 33260 HWS SOL W467b -88.106 38.200 16.686 1.00 0.00 H 
    15512  
    15513 15 messages similar to the above omitted 
    15514 Duplicate atom serial number found: 33280 
    15515 Duplicate atom serial number found: 33282 
    15516 Duplicate atom serial number found: 33284 
    15517 Duplicate atom serial number found: 33286 
    15518 Duplicate atom serial number found: 33288 
    15519 Ignored bad PDB record found on line 114963 
    15520 ATOM 3328a HWS SOL W4682 -73.859 37.439 26.899 1.00 0.00 H 
    15521  
    15522 Ignored bad PDB record found on line 114964 
    15523 ATOM 3328c HWS SOL W4682 -73.410 36.744 28.167 1.00 0.00 H 
    15524  
    15525 Ignored bad PDB record found on line 114965 
    15526 ATOM 3328e OWS SOL W4683 -84.633 44.789 7.717 1.00 0.00 O 
    15527  
    15528 Duplicate atom serial number found: 33290 
    15529 Duplicate atom serial number found: 33292 
    15530 Duplicate atom serial number found: 33294 
    15531 Duplicate atom serial number found: 33296 
    15532 Duplicate atom serial number found: 33298 
    15533 Ignored bad PDB record found on line 114971 
    15534 ATOM 3329a OWS SOL W4685 -56.254 58.182 42.167 1.00 0.00 O 
    15535  
    15536 Ignored bad PDB record found on line 114972 
    15537 ATOM 3329c HWS SOL W4685 -57.185 57.959 42.192 1.00 0.00 H 
    15538  
    15539 Ignored bad PDB record found on line 114973 
    15540 ATOM 3329e HWS SOL W4685 -56.175 58.948 42.735 1.00 0.00 H 
    15541  
    15542 Ignored bad PDB record found on line 114974 
    15543 ATOM 332a0 OWS SOL W4686 -65.947 66.920 24.158 1.00 0.00 O 
    15544  
    15545 Ignored bad PDB record found on line 114975 
    15546 ATOM 332a2 HWS SOL W4686 -66.610 67.520 24.501 1.00 0.00 H 
    15547  
    15548 46 messages similar to the above omitted 
    15549 Duplicate atom serial number found: 33300 
    15550 Duplicate atom serial number found: 33302 
    15551 Duplicate atom serial number found: 33304 
    15552 Duplicate atom serial number found: 33306 
    15553 Duplicate atom serial number found: 33308 
    15554 Ignored bad PDB record found on line 115027 
    15555 ATOM 3330a HWS SOL W4697 -85.146 58.724 38.409 1.00 0.00 H 
    15556  
    15557 Ignored bad PDB record found on line 115028 
    15558 ATOM 3330c OWS SOL W4698 -84.909 76.066 33.431 1.00 0.00 O 
    15559  
    15560 Ignored bad PDB record found on line 115029 
    15561 ATOM 3330e HWS SOL W4698 -85.228 75.557 32.686 1.00 0.00 H 
    15562  
    15563 Duplicate atom serial number found: 33310 
    15564 Duplicate atom serial number found: 33312 
    15565 Duplicate atom serial number found: 33314 
    15566 Duplicate atom serial number found: 33316 
    15567 Ignored bad PDB record found on line 115034 
    15568 ATOM 33318 OWS SOL W469a -72.896 46.029 22.076 1.00 0.00 O 
    15569  
    15570 Ignored bad PDB record found on line 115035 
    15571 ATOM 3331a HWS SOL W469a -72.625 46.260 21.188 1.00 0.00 H 
    15572  
    15573 Ignored bad PDB record found on line 115036 
    15574 ATOM 3331c HWS SOL W469a -72.983 46.869 22.527 1.00 0.00 H 
    15575  
    15576 Ignored bad PDB record found on line 115037 
    15577 ATOM 3331e OWS SOL W469b -79.439 37.758 17.407 1.00 0.00 O 
    15578  
    15579 Ignored bad PDB record found on line 115038 
    15580 ATOM 33320 HWS SOL W469b -79.566 36.825 17.579 1.00 0.00 H 
    15581  
    15582 303 messages similar to the above omitted 
    15583 Duplicate atom serial number found: 33580 
    15584 Duplicate atom serial number found: 33582 
    15585 Duplicate atom serial number found: 33584 
    15586 Duplicate atom serial number found: 33586 
    15587 Duplicate atom serial number found: 33588 
    15588 Ignored bad PDB record found on line 115347 
    15589 ATOM 3358a HWS SOL W4702 88.568 43.391 28.980 1.00 0.00 H 
    15590  
    15591 Ignored bad PDB record found on line 115348 
    15592 ATOM 3358c HWS SOL W4702 88.099 44.755 28.521 1.00 0.00 H 
    15593  
    15594 Ignored bad PDB record found on line 115349 
    15595 ATOM 3358e OWS SOL W4703 79.943 42.999 42.642 1.00 0.00 O 
    15596  
    15597 Duplicate atom serial number found: 33590 
    15598 Duplicate atom serial number found: 33592 
    15599 Duplicate atom serial number found: 33594 
    15600 Duplicate atom serial number found: 33596 
    15601 Duplicate atom serial number found: 33598 
    15602 Ignored bad PDB record found on line 115355 
    15603 ATOM 3359a OWS SOL W4705 -73.927 75.577 17.213 1.00 0.00 O 
    15604  
    15605 Ignored bad PDB record found on line 115356 
    15606 ATOM 3359c HWS SOL W4705 -74.242 75.055 16.474 1.00 0.00 H 
    15607  
    15608 Ignored bad PDB record found on line 115357 
    15609 ATOM 3359e HWS SOL W4705 -72.998 75.714 17.030 1.00 0.00 H 
    15610  
    15611 Ignored bad PDB record found on line 115358 
    15612 ATOM 335a0 OWS SOL W4706 -37.505 69.121 3.882 1.00 0.00 O 
    15613  
    15614 Ignored bad PDB record found on line 115359 
    15615 ATOM 335a2 HWS SOL W4706 -37.436 68.221 4.201 1.00 0.00 H 
    15616  
    15617 46 messages similar to the above omitted 
    15618 Duplicate atom serial number found: 33600 
    15619 Duplicate atom serial number found: 33602 
    15620 Duplicate atom serial number found: 33604 
    15621 Duplicate atom serial number found: 33606 
    15622 Duplicate atom serial number found: 33608 
    15623 Ignored bad PDB record found on line 115411 
    15624 ATOM 3360a HWS SOL W4717 -81.009 59.185 14.339 1.00 0.00 H 
    15625  
    15626 Ignored bad PDB record found on line 115412 
    15627 ATOM 3360c OWS SOL W4718 -69.623 45.248 9.231 1.00 0.00 O 
    15628  
    15629 Ignored bad PDB record found on line 115413 
    15630 ATOM 3360e HWS SOL W4718 -70.412 45.339 8.698 1.00 0.00 H 
    15631  
    15632 Duplicate atom serial number found: 33610 
    15633 Duplicate atom serial number found: 33612 
    15634 Duplicate atom serial number found: 33614 
    15635 Duplicate atom serial number found: 33616 
    15636 Ignored bad PDB record found on line 115418 
    15637 ATOM 33618 OWS SOL W471a -73.297 60.116 32.746 1.00 0.00 O 
    15638  
    15639 Ignored bad PDB record found on line 115419 
    15640 ATOM 3361a HWS SOL W471a -73.550 59.209 32.576 1.00 0.00 H 
    15641  
    15642 Ignored bad PDB record found on line 115420 
    15643 ATOM 3361c HWS SOL W471a -72.343 60.119 32.661 1.00 0.00 H 
    15644  
    15645 Ignored bad PDB record found on line 115421 
    15646 ATOM 3361e OWS SOL W471b -78.850 52.452 26.367 1.00 0.00 O 
    15647  
    15648 Ignored bad PDB record found on line 115422 
    15649 ATOM 33620 HWS SOL W471b -79.496 52.624 25.682 1.00 0.00 H 
    15650  
    15651 15 messages similar to the above omitted 
    15652 Duplicate atom serial number found: 33640 
    15653 Duplicate atom serial number found: 33642 
    15654 Duplicate atom serial number found: 33644 
    15655 Duplicate atom serial number found: 33646 
    15656 Duplicate atom serial number found: 33648 
    15657 Ignored bad PDB record found on line 115443 
    15658 ATOM 3364a HWS SOL W4722 -70.724 48.923 30.081 1.00 0.00 H 
    15659  
    15660 Ignored bad PDB record found on line 115444 
    15661 ATOM 3364c HWS SOL W4722 -69.906 50.197 30.049 1.00 0.00 H 
    15662  
    15663 Ignored bad PDB record found on line 115445 
    15664 ATOM 3364e OWS SOL W4723 -81.861 38.994 17.791 1.00 0.00 O 
    15665  
    15666 Duplicate atom serial number found: 33650 
    15667 Duplicate atom serial number found: 33652 
    15668 Duplicate atom serial number found: 33654 
    15669 Duplicate atom serial number found: 33656 
    15670 Duplicate atom serial number found: 33658 
    15671 Ignored bad PDB record found on line 115451 
    15672 ATOM 3365a OWS SOL W4725 -72.700 47.059 10.014 1.00 0.00 O 
    15673  
    15674 Ignored bad PDB record found on line 115452 
    15675 ATOM 3365c HWS SOL W4725 -72.828 46.168 10.339 1.00 0.00 H 
    15676  
    15677 Ignored bad PDB record found on line 115453 
    15678 ATOM 3365e HWS SOL W4725 -71.903 47.361 10.451 1.00 0.00 H 
    15679  
    15680 Duplicate atom serial number found: 33660 
    15681 Duplicate atom serial number found: 33662 
    15682 Duplicate atom serial number found: 33664 
    15683 Duplicate atom serial number found: 33666 
    15684 Duplicate atom serial number found: 33668 
    15685 Ignored bad PDB record found on line 115459 
    15686 ATOM 3366a HWS SOL W4727 -89.448 52.878 19.467 1.00 0.00 H 
    15687  
    15688 Ignored bad PDB record found on line 115460 
    15689 ATOM 3366c OWS SOL W4728 -75.318 44.877 18.933 1.00 0.00 O 
    15690  
    15691 Ignored bad PDB record found on line 115461 
    15692 ATOM 3366e HWS SOL W4728 -75.259 44.771 17.983 1.00 0.00 H 
    15693  
    15694 Duplicate atom serial number found: 33670 
    15695 Duplicate atom serial number found: 33672 
    15696 Duplicate atom serial number found: 33674 
    15697 Duplicate atom serial number found: 33676 
    15698 Ignored bad PDB record found on line 115466 
    15699 ATOM 33678 OWS SOL W472a -75.628 48.618 24.729 1.00 0.00 O 
    15700  
    15701 Ignored bad PDB record found on line 115467 
    15702 ATOM 3367a HWS SOL W472a -75.583 48.026 23.978 1.00 0.00 H 
    15703  
    15704 Ignored bad PDB record found on line 115468 
    15705 ATOM 3367c HWS SOL W472a -76.535 48.923 24.740 1.00 0.00 H 
    15706  
    15707 Ignored bad PDB record found on line 115469 
    15708 ATOM 3367e OWS SOL W472b 89.039 26.222 29.772 1.00 0.00 O 
    15709  
    15710 Ignored bad PDB record found on line 115470 
    15711 ATOM 33680 HWS SOL W472b 89.441 26.150 30.637 1.00 0.00 H 
    15712  
    15713 63 messages similar to the above omitted 
    15714 Duplicate atom serial number found: 33700 
    15715 Duplicate atom serial number found: 33702 
    15716 Duplicate atom serial number found: 33704 
    15717 Duplicate atom serial number found: 33706 
    15718 Duplicate atom serial number found: 33708 
    15719 Ignored bad PDB record found on line 115539 
    15720 ATOM 3370a HWS SOL W4743 -70.980 80.092 7.819 1.00 0.00 H 
    15721  
    15722 Ignored bad PDB record found on line 115540 
    15723 ATOM 3370c HWS SOL W4743 -72.425 79.924 7.399 1.00 0.00 H 
    15724  
    15725 Ignored bad PDB record found on line 115541 
    15726 ATOM 3370e OWS SOL W4744 -86.623 52.434 20.709 1.00 0.00 O 
    15727  
    15728 Duplicate atom serial number found: 33710 
    15729 Duplicate atom serial number found: 33712 
    15730 Duplicate atom serial number found: 33714 
    15731 Duplicate atom serial number found: 33716 
    15732 Duplicate atom serial number found: 33718 
    15733 Ignored bad PDB record found on line 115547 
    15734 ATOM 3371a OWS SOL W4746 -82.895 52.325 18.664 1.00 0.00 O 
    15735  
    15736 Ignored bad PDB record found on line 115548 
    15737 ATOM 3371c HWS SOL W4746 -82.804 51.404 18.908 1.00 0.00 H 
    15738  
    15739 Ignored bad PDB record found on line 115549 
    15740 ATOM 3371e HWS SOL W4746 -82.068 52.543 18.235 1.00 0.00 H 
    15741  
    15742 Duplicate atom serial number found: 33720 
    15743 Duplicate atom serial number found: 33722 
    15744 Duplicate atom serial number found: 33724 
    15745 Duplicate atom serial number found: 33726 
    15746 Duplicate atom serial number found: 33728 
    15747 Ignored bad PDB record found on line 115555 
    15748 ATOM 3372a HWS SOL W4748 -77.605 56.043 21.870 1.00 0.00 H 
    15749  
    15750 Ignored bad PDB record found on line 115556 
    15751 ATOM 3372c OWS SOL W4749 -90.434 58.087 53.532 1.00 0.00 O 
    15752  
    15753 Ignored bad PDB record found on line 115557 
    15754 ATOM 3372e HWS SOL W4749 -89.855 57.464 53.094 1.00 0.00 H 
    15755  
    15756 Duplicate atom serial number found: 33730 
    15757 Ignored bad PDB record found on line 115559 
    15758 ATOM 33732 OWS SOL W474a -86.248 44.824 5.131 1.00 0.00 O 
    15759  
    15760 Ignored bad PDB record found on line 115560 
    15761 ATOM 33734 HWS SOL W474a -85.382 44.990 4.760 1.00 0.00 H 
    15762  
    15763 Ignored bad PDB record found on line 115561 
    15764 ATOM 33736 HWS SOL W474a -86.782 44.553 4.384 1.00 0.00 H 
    15765  
    15766 Ignored bad PDB record found on line 115562 
    15767 ATOM 33738 OWS SOL W474b -60.870 46.082 2.511 1.00 0.00 O 
    15768  
    15769 Ignored bad PDB record found on line 115563 
    15770 ATOM 3373a HWS SOL W474b -59.924 46.218 2.461 1.00 0.00 H 
    15771  
    15772 13 messages similar to the above omitted 
    15773 Duplicate atom serial number found: 33756 
    15774 Duplicate atom serial number found: 33758 
    15775 Ignored bad PDB record found on line 115579 
    15776 ATOM 3375a HWS SOL W4750 -77.855 34.365 42.897 1.00 0.00 H 
    15777  
    15778 Ignored bad PDB record found on line 115580 
    15779 ATOM 3375c OWS SOL W4751 -87.157 29.372 29.615 1.00 0.00 O 
    15780  
    15781 Ignored bad PDB record found on line 115581 
    15782 ATOM 3375e HWS SOL W4751 -87.423 30.279 29.467 1.00 0.00 H 
    15783  
    15784 Duplicate atom serial number found: 33760 
    15785 Duplicate atom serial number found: 33762 
    15786 Duplicate atom serial number found: 33764 
    15787 Duplicate atom serial number found: 33766 
    15788 Duplicate atom serial number found: 33768 
    15789 Ignored bad PDB record found on line 115587 
    15790 ATOM 3376a HWS SOL W4753 -76.745 55.714 35.905 1.00 0.00 H 
    15791  
    15792 Ignored bad PDB record found on line 115588 
    15793 ATOM 3376c HWS SOL W4753 -76.318 55.560 37.350 1.00 0.00 H 
    15794  
    15795 Ignored bad PDB record found on line 115589 
    15796 ATOM 3376e OWS SOL W4754 -81.925 74.072 10.154 1.00 0.00 O 
    15797  
    15798 Duplicate atom serial number found: 33770 
    15799 Duplicate atom serial number found: 33772 
    15800 Duplicate atom serial number found: 33774 
    15801 Duplicate atom serial number found: 33776 
    15802 Duplicate atom serial number found: 33778 
    15803 Ignored bad PDB record found on line 115595 
    15804 ATOM 3377a OWS SOL W4756 -78.115 53.826 53.585 1.00 0.00 O 
    15805  
    15806 Ignored bad PDB record found on line 115596 
    15807 ATOM 3377c HWS SOL W4756 -79.004 53.864 53.233 1.00 0.00 H 
    15808  
    15809 Ignored bad PDB record found on line 115597 
    15810 ATOM 3377e HWS SOL W4756 -77.922 54.726 53.847 1.00 0.00 H 
    15811  
    15812 Duplicate atom serial number found: 33780 
    15813 Duplicate atom serial number found: 33782 
    15814 Duplicate atom serial number found: 33784 
    15815 Duplicate atom serial number found: 33786 
    15816 Duplicate atom serial number found: 33788 
    15817 Ignored bad PDB record found on line 115603 
    15818 ATOM 3378a HWS SOL W4758 -90.130 56.467 33.740 1.00 0.00 H 
    15819  
    15820 Ignored bad PDB record found on line 115604 
    15821 ATOM 3378c OWS SOL W4759 86.274 56.658 35.589 1.00 0.00 O 
    15822  
    15823 Ignored bad PDB record found on line 115605 
    15824 ATOM 3378e HWS SOL W4759 86.948 57.278 35.865 1.00 0.00 H 
    15825  
    15826 Duplicate atom serial number found: 33790 
    15827 Ignored bad PDB record found on line 115607 
    15828 ATOM 33792 OWS SOL W475a -69.235 50.649 16.518 1.00 0.00 O 
    15829  
    15830 Ignored bad PDB record found on line 115608 
    15831 ATOM 33794 HWS SOL W475a -69.661 50.152 17.217 1.00 0.00 H 
    15832  
    15833 Ignored bad PDB record found on line 115609 
    15834 ATOM 33796 HWS SOL W475a -69.466 50.181 15.716 1.00 0.00 H 
    15835  
    15836 Ignored bad PDB record found on line 115610 
    15837 ATOM 33798 OWS SOL W475b -76.805 61.589 17.957 1.00 0.00 O 
    15838  
    15839 Ignored bad PDB record found on line 115611 
    15840 ATOM 3379a HWS SOL W475b -76.335 61.583 18.792 1.00 0.00 H 
    15841  
    15842 58 messages similar to the above omitted 
    15843 Duplicate atom serial number found: 33810 
    15844 Duplicate atom serial number found: 33812 
    15845 Duplicate atom serial number found: 33814 
    15846 Duplicate atom serial number found: 33816 
    15847 Duplicate atom serial number found: 33818 
    15848 Ignored bad PDB record found on line 115675 
    15849 ATOM 3381a HWS SOL W4771 -79.043 56.907 50.091 1.00 0.00 H 
    15850  
    15851 Ignored bad PDB record found on line 115676 
    15852 ATOM 3381c OWS SOL W4772 88.757 53.229 19.815 1.00 0.00 O 
    15853  
    15854 Ignored bad PDB record found on line 115677 
    15855 ATOM 3381e HWS SOL W4772 88.549 54.163 19.804 1.00 0.00 H 
    15856  
    15857 Duplicate atom serial number found: 33820 
    15858 Duplicate atom serial number found: 33822 
    15859 Duplicate atom serial number found: 33824 
    15860 Duplicate atom serial number found: 33826 
    15861 Duplicate atom serial number found: 33828 
    15862 Ignored bad PDB record found on line 115683 
    15863 ATOM 3382a HWS SOL W4774 -80.439 37.982 47.384 1.00 0.00 H 
    15864  
    15865 Ignored bad PDB record found on line 115684 
    15866 ATOM 3382c HWS SOL W4774 -80.609 37.267 46.061 1.00 0.00 H 
    15867  
    15868 Ignored bad PDB record found on line 115685 
    15869 ATOM 3382e OWS SOL W4775 -76.317 60.489 24.065 1.00 0.00 O 
    15870  
    15871 Duplicate atom serial number found: 33830 
    15872 Duplicate atom serial number found: 33832 
    15873 Duplicate atom serial number found: 33834 
    15874 Duplicate atom serial number found: 33836 
    15875 Duplicate atom serial number found: 33838 
    15876 Ignored bad PDB record found on line 115691 
    15877 ATOM 3383a OWS SOL W4777 -86.126 47.631 33.238 1.00 0.00 O 
    15878  
    15879 Ignored bad PDB record found on line 115692 
    15880 ATOM 3383c HWS SOL W4777 -86.503 48.102 32.495 1.00 0.00 H 
    15881  
    15882 Ignored bad PDB record found on line 115693 
    15883 ATOM 3383e HWS SOL W4777 -86.707 47.834 33.971 1.00 0.00 H 
    15884  
    15885 Duplicate atom serial number found: 33840 
    15886 Duplicate atom serial number found: 33842 
    15887 Duplicate atom serial number found: 33844 
    15888 Duplicate atom serial number found: 33846 
    15889 Duplicate atom serial number found: 33848 
    15890 Ignored bad PDB record found on line 115699 
    15891 ATOM 3384a HWS SOL W4779 -76.571 57.741 32.285 1.00 0.00 H 
    15892  
    15893 Ignored bad PDB record found on line 115700 
    15894 ATOM 3384c OWS SOL W477a -67.543 48.372 34.142 1.00 0.00 O 
    15895  
    15896 Ignored bad PDB record found on line 115701 
    15897 ATOM 3384e HWS SOL W477a -67.637 47.887 34.961 1.00 0.00 H 
    15898  
    15899 Ignored bad PDB record found on line 115702 
    15900 ATOM 33850 HWS SOL W477a -66.942 47.843 33.617 1.00 0.00 H 
    15901  
    15902 Ignored bad PDB record found on line 115703 
    15903 ATOM 33852 OWS SOL W477b -63.277 51.457 49.169 1.00 0.00 O 
    15904  
    15905 14 messages similar to the above omitted 
    15906 Duplicate atom serial number found: 33870 
    15907 Duplicate atom serial number found: 33872 
    15908 Duplicate atom serial number found: 33874 
    15909 Duplicate atom serial number found: 33876 
    15910 Duplicate atom serial number found: 33878 
    15911 Ignored bad PDB record found on line 115723 
    15912 ATOM 3387a HWS SOL W4781 78.037 44.852 35.702 1.00 0.00 H 
    15913  
    15914 Ignored bad PDB record found on line 115724 
    15915 ATOM 3387c OWS SOL W4782 -81.474 48.392 37.986 1.00 0.00 O 
    15916  
    15917 Ignored bad PDB record found on line 115725 
    15918 ATOM 3387e HWS SOL W4782 -80.927 48.276 37.209 1.00 0.00 H 
    15919  
    15920 Duplicate atom serial number found: 33880 
    15921 Duplicate atom serial number found: 33882 
    15922 Duplicate atom serial number found: 33884 
    15923 Duplicate atom serial number found: 33886 
    15924 Duplicate atom serial number found: 33888 
    15925 Ignored bad PDB record found on line 115731 
    15926 ATOM 3388a HWS SOL W4784 -83.000 46.071 5.336 1.00 0.00 H 
    15927  
    15928 Ignored bad PDB record found on line 115732 
    15929 ATOM 3388c HWS SOL W4784 -83.873 47.112 4.668 1.00 0.00 H 
    15930  
    15931 Ignored bad PDB record found on line 115733 
    15932 ATOM 3388e OWS SOL W4785 -69.862 65.954 22.927 1.00 0.00 O 
    15933  
    15934 Duplicate atom serial number found: 33890 
    15935 Duplicate atom serial number found: 33892 
    15936 Duplicate atom serial number found: 33894 
    15937 Duplicate atom serial number found: 33896 
    15938 Duplicate atom serial number found: 33898 
    15939 Ignored bad PDB record found on line 115739 
    15940 ATOM 3389a OWS SOL W4787 -73.318 50.888 29.494 1.00 0.00 O 
    15941  
    15942 Ignored bad PDB record found on line 115740 
    15943 ATOM 3389c HWS SOL W4787 -72.460 50.464 29.535 1.00 0.00 H 
    15944  
    15945 Ignored bad PDB record found on line 115741 
    15946 ATOM 3389e HWS SOL W4787 -73.881 50.343 30.043 1.00 0.00 H 
    15947  
    15948 Ignored bad PDB record found on line 115742 
    15949 ATOM 338a0 OWS SOL W4788 -81.931 27.714 51.728 1.00 0.00 O 
    15950  
    15951 Ignored bad PDB record found on line 115743 
    15952 ATOM 338a2 HWS SOL W4788 -81.369 28.472 51.891 1.00 0.00 H 
    15953  
    15954 46 messages similar to the above omitted 
    15955 Duplicate atom serial number found: 33900 
    15956 Duplicate atom serial number found: 33902 
    15957 Duplicate atom serial number found: 33904 
    15958 Duplicate atom serial number found: 33906 
    15959 Duplicate atom serial number found: 33908 
    15960 Ignored bad PDB record found on line 115795 
    15961 ATOM 3390a HWS SOL W4799 -74.484 54.870 14.393 1.00 0.00 H 
    15962  
    15963 Ignored bad PDB record found on line 115796 
    15964 ATOM 3390c OWS SOL W479a -73.284 45.292 37.937 1.00 0.00 O 
    15965  
    15966 Ignored bad PDB record found on line 115797 
    15967 ATOM 3390e HWS SOL W479a -73.223 44.445 37.495 1.00 0.00 H 
    15968  
    15969 Ignored bad PDB record found on line 115798 
    15970 ATOM 33910 HWS SOL W479a -73.008 45.114 38.836 1.00 0.00 H 
    15971  
    15972 Ignored bad PDB record found on line 115799 
    15973 ATOM 33912 OWS SOL W479b -88.194 30.420 43.767 1.00 0.00 O 
    15974  
    15975 1062 messages similar to the above omitted 
    15976 Duplicate atom serial number found: 34160 
    15977 Duplicate atom serial number found: 34162 
    15978 Duplicate atom serial number found: 34164 
    15979 Duplicate atom serial number found: 34166 
    15980 Duplicate atom serial number found: 34168 
    15981 Ignored bad PDB record found on line 116867 
    15982 ATOM 3416a OWS SOL W4902 -73.469 70.484 55.439 1.00 0.00 O 
    15983  
    15984 Ignored bad PDB record found on line 116868 
    15985 ATOM 3416c HWS SOL W4902 -74.233 70.503 54.863 1.00 0.00 H 
    15986  
    15987 Ignored bad PDB record found on line 116869 
    15988 ATOM 3416e HWS SOL W4902 -73.295 71.403 55.639 1.00 0.00 H 
    15989  
    15990 Duplicate atom serial number found: 34170 
    15991 Duplicate atom serial number found: 34172 
    15992 Duplicate atom serial number found: 34174 
    15993 Duplicate atom serial number found: 34176 
    15994 Duplicate atom serial number found: 34178 
    15995 Ignored bad PDB record found on line 116875 
    15996 ATOM 3417a HWS SOL W4904 -46.394 43.174 38.594 1.00 0.00 H 
    15997  
    15998 Ignored bad PDB record found on line 116876 
    15999 ATOM 3417c OWS SOL W4905 82.582 69.941 79.725 1.00 0.00 O 
    16000  
    16001 Ignored bad PDB record found on line 116877 
    16002 ATOM 3417e HWS SOL W4905 82.154 70.126 78.889 1.00 0.00 H 
    16003  
    16004 Duplicate atom serial number found: 34180 
    16005 Duplicate atom serial number found: 34182 
    16006 Duplicate atom serial number found: 34184 
    16007 Duplicate atom serial number found: 34186 
    16008 Duplicate atom serial number found: 34188 
    16009 Ignored bad PDB record found on line 116883 
    16010 ATOM 3418a HWS SOL W4907 71.450 36.595 78.921 1.00 0.00 H 
    16011  
    16012 Ignored bad PDB record found on line 116884 
    16013 ATOM 3418c HWS SOL W4907 71.768 35.633 77.796 1.00 0.00 H 
    16014  
    16015 Ignored bad PDB record found on line 116885 
    16016 ATOM 3418e OWS SOL W4908 -84.044 63.352 52.143 1.00 0.00 O 
    16017  
    16018 Duplicate atom serial number found: 34190 
    16019 Duplicate atom serial number found: 34192 
    16020 Duplicate atom serial number found: 34194 
    16021 Duplicate atom serial number found: 34196 
    16022 Duplicate atom serial number found: 34198 
    16023 Ignored bad PDB record found on line 116891 
    16024 ATOM 3419a OWS SOL W490a -87.874 62.262 50.047 1.00 0.00 O 
    16025  
    16026 Ignored bad PDB record found on line 116892 
    16027 ATOM 3419c HWS SOL W490a -88.221 62.511 50.903 1.00 0.00 H 
    16028  
    16029 Ignored bad PDB record found on line 116893 
    16030 ATOM 3419e HWS SOL W490a -88.120 62.985 49.469 1.00 0.00 H 
    16031  
    16032 Ignored bad PDB record found on line 116894 
    16033 ATOM 341a0 OWS SOL W490b 78.713 49.322 70.220 1.00 0.00 O 
    16034  
    16035 Ignored bad PDB record found on line 116895 
    16036 ATOM 341a2 HWS SOL W490b 78.500 48.979 69.352 1.00 0.00 H 
    16037  
    16038 62 messages similar to the above omitted 
    16039 Duplicate atom serial number found: 34220 
    16040 Duplicate atom serial number found: 34222 
    16041 Duplicate atom serial number found: 34224 
    16042 Duplicate atom serial number found: 34226 
    16043 Duplicate atom serial number found: 34228 
    16044 Ignored bad PDB record found on line 116963 
    16045 ATOM 3422a OWS SOL W4922 84.590 39.226 59.352 1.00 0.00 O 
    16046  
    16047 Ignored bad PDB record found on line 116964 
    16048 ATOM 3422c HWS SOL W4922 83.674 39.035 59.552 1.00 0.00 H 
    16049  
    16050 Ignored bad PDB record found on line 116965 
    16051 ATOM 3422e HWS SOL W4922 84.565 40.057 58.877 1.00 0.00 H 
    16052  
    16053 Duplicate atom serial number found: 34230 
    16054 Duplicate atom serial number found: 34232 
    16055 Duplicate atom serial number found: 34234 
    16056 Duplicate atom serial number found: 34236 
    16057 Duplicate atom serial number found: 34238 
    16058 Ignored bad PDB record found on line 116971 
    16059 ATOM 3423a HWS SOL W4924 -87.844 49.686 41.982 1.00 0.00 H 
    16060  
    16061 Ignored bad PDB record found on line 116972 
    16062 ATOM 3423c OWS SOL W4925 88.877 63.804 69.249 1.00 0.00 O 
    16063  
    16064 Ignored bad PDB record found on line 116973 
    16065 ATOM 3423e HWS SOL W4925 89.303 62.965 69.424 1.00 0.00 H 
    16066  
    16067 Duplicate atom serial number found: 34240 
    16068 Duplicate atom serial number found: 34242 
    16069 Duplicate atom serial number found: 34244 
    16070 Duplicate atom serial number found: 34246 
    16071 Duplicate atom serial number found: 34248 
    16072 Ignored bad PDB record found on line 116979 
    16073 ATOM 3424a HWS SOL W4927 90.551 33.763 68.413 1.00 0.00 H 
    16074  
    16075 Ignored bad PDB record found on line 116980 
    16076 ATOM 3424c HWS SOL W4927 89.309 33.388 69.193 1.00 0.00 H 
    16077  
    16078 Ignored bad PDB record found on line 116981 
    16079 ATOM 3424e OWS SOL W4928 -52.119 61.563 39.163 1.00 0.00 O 
    16080  
    16081 Duplicate atom serial number found: 34250 
    16082 Duplicate atom serial number found: 34252 
    16083 Duplicate atom serial number found: 34254 
    16084 Duplicate atom serial number found: 34256 
    16085 Duplicate atom serial number found: 34258 
    16086 Ignored bad PDB record found on line 116987 
    16087 ATOM 3425a OWS SOL W492a -80.247 47.841 83.292 1.00 0.00 O 
    16088  
    16089 Ignored bad PDB record found on line 116988 
    16090 ATOM 3425c HWS SOL W492a -80.519 47.834 84.209 1.00 0.00 H 
    16091  
    16092 Ignored bad PDB record found on line 116989 
    16093 ATOM 3425e HWS SOL W492a -81.041 47.623 82.804 1.00 0.00 H 
    16094  
    16095 Ignored bad PDB record found on line 116990 
    16096 ATOM 34260 OWS SOL W492b -67.991 48.725 75.116 1.00 0.00 O 
    16097  
    16098 Ignored bad PDB record found on line 116991 
    16099 ATOM 34262 HWS SOL W492b -68.454 49.519 74.850 1.00 0.00 H 
    16100  
    16101 14 messages similar to the above omitted 
    16102 Duplicate atom serial number found: 34280 
    16103 Duplicate atom serial number found: 34282 
    16104 Duplicate atom serial number found: 34284 
    16105 Duplicate atom serial number found: 34286 
    16106 Duplicate atom serial number found: 34288 
    16107 Ignored bad PDB record found on line 117011 
    16108 ATOM 3428a OWS SOL W4932 -71.029 80.199 44.946 1.00 0.00 O 
    16109  
    16110 Ignored bad PDB record found on line 117012 
    16111 ATOM 3428c HWS SOL W4932 -71.910 80.555 44.826 1.00 0.00 H 
    16112  
    16113 Ignored bad PDB record found on line 117013 
    16114 ATOM 3428e HWS SOL W4932 -70.484 80.965 45.131 1.00 0.00 H 
    16115  
    16116 Duplicate atom serial number found: 34290 
    16117 Duplicate atom serial number found: 34292 
    16118 Duplicate atom serial number found: 34294 
    16119 Duplicate atom serial number found: 34296 
    16120 Duplicate atom serial number found: 34298 
    16121 Ignored bad PDB record found on line 117019 
    16122 ATOM 3429a HWS SOL W4934 -52.320 68.659 78.036 1.00 0.00 H 
    16123  
    16124 Ignored bad PDB record found on line 117020 
    16125 ATOM 3429c OWS SOL W4935 -81.448 67.417 64.907 1.00 0.00 O 
    16126  
    16127 Ignored bad PDB record found on line 117021 
    16128 ATOM 3429e HWS SOL W4935 -81.744 66.509 64.845 1.00 0.00 H 
    16129  
    16130 Ignored bad PDB record found on line 117022 
    16131 ATOM 342a0 HWS SOL W4935 -81.728 67.818 64.085 1.00 0.00 H 
    16132  
    16133 Ignored bad PDB record found on line 117023 
    16134 ATOM 342a2 OWS SOL W4936 89.681 55.075 63.650 1.00 0.00 O 
    16135  
    16136 46 messages similar to the above omitted 
    16137 Duplicate atom serial number found: 34300 
    16138 Duplicate atom serial number found: 34302 
    16139 Duplicate atom serial number found: 34304 
    16140 Duplicate atom serial number found: 34306 
    16141 Duplicate atom serial number found: 34308 
    16142 Ignored bad PDB record found on line 117075 
    16143 ATOM 3430a HWS SOL W4948 -59.793 50.665 83.493 1.00 0.00 H 
    16144  
    16145 Ignored bad PDB record found on line 117076 
    16146 ATOM 3430c HWS SOL W4948 -58.646 51.586 83.136 1.00 0.00 H 
    16147  
    16148 Ignored bad PDB record found on line 117077 
    16149 ATOM 3430e OWS SOL W4949 63.957 72.084 45.258 1.00 0.00 O 
    16150  
    16151 Duplicate atom serial number found: 34310 
    16152 Duplicate atom serial number found: 34312 
    16153 Ignored bad PDB record found on line 117080 
    16154 ATOM 34314 OWS SOL W494a -85.142 75.814 51.275 1.00 0.00 O 
    16155  
    16156 Ignored bad PDB record found on line 117081 
    16157 ATOM 34316 HWS SOL W494a -85.911 76.234 50.889 1.00 0.00 H 
    16158  
    16159 Ignored bad PDB record found on line 117082 
    16160 ATOM 34318 HWS SOL W494a -84.538 76.535 51.451 1.00 0.00 H 
    16161  
    16162 Ignored bad PDB record found on line 117083 
    16163 ATOM 3431a OWS SOL W494b -85.035 54.495 54.713 1.00 0.00 O 
    16164  
    16165 Ignored bad PDB record found on line 117084 
    16166 ATOM 3431c HWS SOL W494b -85.791 54.401 54.133 1.00 0.00 H 
    16167  
    16168 13 messages similar to the above omitted 
    16169 Duplicate atom serial number found: 34338 
    16170 Ignored bad PDB record found on line 117099 
    16171 ATOM 3433a HWS SOL W4950 -62.141 65.037 62.483 1.00 0.00 H 
    16172  
    16173 Ignored bad PDB record found on line 117100 
    16174 ATOM 3433c HWS SOL W4950 -60.829 64.741 61.788 1.00 0.00 H 
    16175  
    16176 Ignored bad PDB record found on line 117101 
    16177 ATOM 3433e OWS SOL W4951 -75.629 46.730 52.280 1.00 0.00 O 
    16178  
    16179 Duplicate atom serial number found: 34340 
    16180 Duplicate atom serial number found: 34342 
    16181 Duplicate atom serial number found: 34344 
    16182 Duplicate atom serial number found: 34346 
    16183 Duplicate atom serial number found: 34348 
    16184 Ignored bad PDB record found on line 117107 
    16185 ATOM 3434a OWS SOL W4953 -83.611 74.112 48.148 1.00 0.00 O 
    16186  
    16187 Ignored bad PDB record found on line 117108 
    16188 ATOM 3434c HWS SOL W4953 -84.370 73.631 48.477 1.00 0.00 H 
    16189  
    16190 Ignored bad PDB record found on line 117109 
    16191 ATOM 3434e HWS SOL W4953 -82.857 73.593 48.429 1.00 0.00 H 
    16192  
    16193 Duplicate atom serial number found: 34350 
    16194 Duplicate atom serial number found: 34352 
    16195 Duplicate atom serial number found: 34354 
    16196 Duplicate atom serial number found: 34356 
    16197 Duplicate atom serial number found: 34358 
    16198 Ignored bad PDB record found on line 117115 
    16199 ATOM 3435a HWS SOL W4955 -86.111 64.879 49.870 1.00 0.00 H 
    16200  
    16201 Ignored bad PDB record found on line 117116 
    16202 ATOM 3435c OWS SOL W4956 63.437 59.584 77.090 1.00 0.00 O 
    16203  
    16204 Ignored bad PDB record found on line 117117 
    16205 ATOM 3435e HWS SOL W4956 63.492 59.068 76.286 1.00 0.00 H 
    16206  
    16207 Duplicate atom serial number found: 34360 
    16208 Duplicate atom serial number found: 34362 
    16209 Duplicate atom serial number found: 34364 
    16210 Duplicate atom serial number found: 34366 
    16211 Duplicate atom serial number found: 34368 
    16212 Ignored bad PDB record found on line 117123 
    16213 ATOM 3436a HWS SOL W4959 -74.292 50.486 74.715 1.00 0.00 H 
    16214  
    16215 Ignored bad PDB record found on line 117124 
    16216 ATOM 3436c HWS SOL W4959 -73.888 51.538 73.704 1.00 0.00 H 
    16217  
    16218 Ignored bad PDB record found on line 117125 
    16219 ATOM 3436e OWS SOL W495a 85.365 27.863 -85.733 1.00 0.00 O 
    16220  
    16221 Ignored bad PDB record found on line 117126 
    16222 ATOM 34370 HWS SOL W495a 86.226 27.498 -85.936 1.00 0.00 H 
    16223  
    16224 Ignored bad PDB record found on line 117127 
    16225 ATOM 34372 HWS SOL W495a 85.209 28.509 -86.422 1.00 0.00 H 
    16226  
    16227 15 messages similar to the above omitted 
    16228 Duplicate atom serial number found: 34392 
    16229 Duplicate atom serial number found: 34394 
    16230 Duplicate atom serial number found: 34396 
    16231 Duplicate atom serial number found: 34398 
    16232 Ignored bad PDB record found on line 117147 
    16233 ATOM 3439a HWS SOL W4961 -67.876 78.285 55.095 1.00 0.00 H 
    16234  
    16235 Ignored bad PDB record found on line 117148 
    16236 ATOM 3439c HWS SOL W4961 -67.118 77.704 56.270 1.00 0.00 H 
    16237  
    16238 Ignored bad PDB record found on line 117149 
    16239 ATOM 3439e OWS SOL W4962 -63.927 55.974 51.272 1.00 0.00 O 
    16240  
    16241 Ignored bad PDB record found on line 117150 
    16242 ATOM 343a0 HWS SOL W4962 -62.985 55.926 51.438 1.00 0.00 H 
    16243  
    16244 Ignored bad PDB record found on line 117151 
    16245 ATOM 343a2 HWS SOL W4962 -64.235 55.074 51.377 1.00 0.00 H 
    16246  
    16247 46 messages similar to the above omitted 
    16248 Duplicate atom serial number found: 34400 
    16249 Duplicate atom serial number found: 34402 
    16250 Duplicate atom serial number found: 34404 
    16251 Duplicate atom serial number found: 34406 
    16252 Duplicate atom serial number found: 34408 
    16253 Ignored bad PDB record found on line 117203 
    16254 ATOM 3440a OWS SOL W4976 85.928 59.230 61.807 1.00 0.00 O 
    16255  
    16256 Ignored bad PDB record found on line 117204 
    16257 ATOM 3440c HWS SOL W4976 85.122 59.622 62.142 1.00 0.00 H 
    16258  
    16259 Ignored bad PDB record found on line 117205 
    16260 ATOM 3440e HWS SOL W4976 85.836 59.268 60.855 1.00 0.00 H 
    16261  
    16262 Duplicate atom serial number found: 34410 
    16263 Duplicate atom serial number found: 34412 
    16264 Duplicate atom serial number found: 34414 
    16265 Duplicate atom serial number found: 34416 
    16266 Duplicate atom serial number found: 34418 
    16267 Ignored bad PDB record found on line 117211 
    16268 ATOM 3441a HWS SOL W4978 77.787 41.275 57.033 1.00 0.00 H 
    16269  
    16270 Ignored bad PDB record found on line 117212 
    16271 ATOM 3441c OWS SOL W4979 -82.097 56.232 57.121 1.00 0.00 O 
    16272  
    16273 Ignored bad PDB record found on line 117213 
    16274 ATOM 3441e HWS SOL W4979 -82.849 55.671 57.311 1.00 0.00 H 
    16275  
    16276 Duplicate atom serial number found: 34420 
    16277 Ignored bad PDB record found on line 117215 
    16278 ATOM 34422 OWS SOL W497a -85.340 47.422 63.946 1.00 0.00 O 
    16279  
    16280 Ignored bad PDB record found on line 117216 
    16281 ATOM 34424 HWS SOL W497a -85.377 48.066 63.238 1.00 0.00 H 
    16282  
    16283 Ignored bad PDB record found on line 117217 
    16284 ATOM 34426 HWS SOL W497a -84.412 47.369 64.175 1.00 0.00 H 
    16285  
    16286 Ignored bad PDB record found on line 117218 
    16287 ATOM 34428 OWS SOL W497b -70.944 63.054 78.578 1.00 0.00 O 
    16288  
    16289 Ignored bad PDB record found on line 117219 
    16290 ATOM 3442a HWS SOL W497b -70.999 63.036 79.534 1.00 0.00 H 
    16291  
    16292 13 messages similar to the above omitted 
    16293 Duplicate atom serial number found: 34446 
    16294 Duplicate atom serial number found: 34448 
    16295 Ignored bad PDB record found on line 117235 
    16296 ATOM 3444a HWS SOL W4980 87.616 57.164 60.651 1.00 0.00 H 
    16297  
    16298 Ignored bad PDB record found on line 117236 
    16299 ATOM 3444c OWS SOL W4981 -72.973 58.110 60.282 1.00 0.00 O 
    16300  
    16301 Ignored bad PDB record found on line 117237 
    16302 ATOM 3444e HWS SOL W4981 -73.780 58.374 60.724 1.00 0.00 H 
    16303  
    16304 Duplicate atom serial number found: 34450 
    16305 Duplicate atom serial number found: 34452 
    16306 Duplicate atom serial number found: 34454 
    16307 Duplicate atom serial number found: 34456 
    16308 Duplicate atom serial number found: 34458 
    16309 Ignored bad PDB record found on line 117243 
    16310 ATOM 3445a HWS SOL W4983 -70.533 55.238 43.402 1.00 0.00 H 
    16311  
    16312 Ignored bad PDB record found on line 117244 
    16313 ATOM 3445c HWS SOL W4983 -70.612 54.372 42.163 1.00 0.00 H 
    16314  
    16315 Ignored bad PDB record found on line 117245 
    16316 ATOM 3445e OWS SOL W4984 -88.031 74.008 62.497 1.00 0.00 O 
    16317  
    16318 Duplicate atom serial number found: 34460 
    16319 Duplicate atom serial number found: 34462 
    16320 Duplicate atom serial number found: 34464 
    16321 Duplicate atom serial number found: 34466 
    16322 Duplicate atom serial number found: 34468 
    16323 Ignored bad PDB record found on line 117251 
    16324 ATOM 3446a OWS SOL W4986 -85.874 40.750 55.822 1.00 0.00 O 
    16325  
    16326 Ignored bad PDB record found on line 117252 
    16327 ATOM 3446c HWS SOL W4986 -86.114 40.208 55.071 1.00 0.00 H 
    16328  
    16329 Ignored bad PDB record found on line 117253 
    16330 ATOM 3446e HWS SOL W4986 -85.140 41.280 55.511 1.00 0.00 H 
    16331  
    16332 Duplicate atom serial number found: 34470 
    16333 Duplicate atom serial number found: 34472 
    16334 Duplicate atom serial number found: 34474 
    16335 Duplicate atom serial number found: 34476 
    16336 Duplicate atom serial number found: 34478 
    16337 Ignored bad PDB record found on line 117259 
    16338 ATOM 3447a HWS SOL W4988 -68.551 64.221 65.158 1.00 0.00 H 
    16339  
    16340 Ignored bad PDB record found on line 117260 
    16341 ATOM 3447c OWS SOL W4989 -86.357 79.365 47.379 1.00 0.00 O 
    16342  
    16343 Ignored bad PDB record found on line 117261 
    16344 ATOM 3447e HWS SOL W4989 -86.652 80.191 46.996 1.00 0.00 H 
    16345  
    16346 Duplicate atom serial number found: 34480 
    16347 Ignored bad PDB record found on line 117263 
    16348 ATOM 34482 OWS SOL W498a -72.335 68.210 56.821 1.00 0.00 O 
    16349  
    16350 Ignored bad PDB record found on line 117264 
    16351 ATOM 34484 HWS SOL W498a -72.510 68.442 57.733 1.00 0.00 H 
    16352  
    16353 Ignored bad PDB record found on line 117265 
    16354 ATOM 34486 HWS SOL W498a -72.644 68.964 56.318 1.00 0.00 H 
    16355  
    16356 Ignored bad PDB record found on line 117266 
    16357 ATOM 34488 OWS SOL W498b -76.869 56.154 32.354 1.00 0.00 O 
    16358  
    16359 Ignored bad PDB record found on line 117267 
    16360 ATOM 3448a HWS SOL W498b -76.928 55.498 33.048 1.00 0.00 H 
    16361  
    16362 5706 messages similar to the above omitted 
    16363 Duplicate atom serial number found: 37120 
    16364 Duplicate atom serial number found: 37122 
    16365 Duplicate atom serial number found: 37124 
    16366 Duplicate atom serial number found: 37126 
    16367 Duplicate atom serial number found: 37128 
    16368 Ignored bad PDB record found on line 122979 
    16369 ATOM 3712a HWS SOL W5102 -65.103 69.936 -15.747 1.00 0.00 H 
    16370  
    16371 Ignored bad PDB record found on line 122980 
    16372 ATOM 3712c HWS SOL W5102 -64.204 69.450 -16.865 1.00 0.00 H 
    16373  
    16374 Ignored bad PDB record found on line 122981 
    16375 ATOM 3712e OWS SOL W5103 -83.214 51.260 10.528 1.00 0.00 O 
    16376  
    16377 Duplicate atom serial number found: 37130 
    16378 Duplicate atom serial number found: 37132 
    16379 Duplicate atom serial number found: 37134 
    16380 Duplicate atom serial number found: 37136 
    16381 Duplicate atom serial number found: 37138 
    16382 Ignored bad PDB record found on line 122987 
    16383 ATOM 3713a OWS SOL W5105 -59.280 89.097 17.323 1.00 0.00 O 
    16384  
    16385 Ignored bad PDB record found on line 122988 
    16386 ATOM 3713c HWS SOL W5105 -58.467 89.125 16.818 1.00 0.00 H 
    16387  
    16388 Ignored bad PDB record found on line 122989 
    16389 ATOM 3713e HWS SOL W5105 -59.454 88.164 17.447 1.00 0.00 H 
    16390  
    16391 Duplicate atom serial number found: 37140 
    16392 Duplicate atom serial number found: 37142 
    16393 Duplicate atom serial number found: 37144 
    16394 Duplicate atom serial number found: 37146 
    16395 Duplicate atom serial number found: 37148 
    16396 Ignored bad PDB record found on line 122995 
    16397 ATOM 3714a HWS SOL W5107 -69.380 88.492 -2.954 1.00 0.00 H 
    16398  
    16399 Ignored bad PDB record found on line 122996 
    16400 ATOM 3714c OWS SOL W5108 -72.381 -89.377 -4.346 1.00 0.00 O 
    16401  
    16402 Ignored bad PDB record found on line 122997 
    16403 ATOM 3714e HWS SOL W5108 -73.273 -89.115 -4.121 1.00 0.00 H 
    16404  
    16405 Duplicate atom serial number found: 37150 
    16406 Duplicate atom serial number found: 37152 
    16407 Duplicate atom serial number found: 37154 
    16408 Duplicate atom serial number found: 37156 
    16409 Ignored bad PDB record found on line 123002 
    16410 ATOM 37158 OWS SOL W510a 88.010 -85.841 3.052 1.00 0.00 O 
    16411  
    16412 Ignored bad PDB record found on line 123003 
    16413 ATOM 3715a HWS SOL W510a 88.209 -85.326 2.270 1.00 0.00 H 
    16414  
    16415 Ignored bad PDB record found on line 123004 
    16416 ATOM 3715c HWS SOL W510a 88.397 -86.699 2.879 1.00 0.00 H 
    16417  
    16418 Ignored bad PDB record found on line 123005 
    16419 ATOM 3715e OWS SOL W510b -89.053 -76.922 2.928 1.00 0.00 O 
    16420  
    16421 Ignored bad PDB record found on line 123006 
    16422 ATOM 37160 HWS SOL W510b -88.485 -77.148 2.191 1.00 0.00 H 
    16423  
    16424 10 messages similar to the above omitted 
    16425 Duplicate atom serial number found: 37176 
    16426 Duplicate atom serial number found: 37178 
    16427 Ignored bad PDB record found on line 123019 
    16428 ATOM 3717a HWS SOL W5110 86.881 72.308 10.046 1.00 0.00 H 
    16429  
    16430 Ignored bad PDB record found on line 123020 
    16431 ATOM 3717c OWS SOL W5111 -65.581 -86.134 21.897 1.00 0.00 O 
    16432  
    16433 Ignored bad PDB record found on line 123021 
    16434 ATOM 3717e HWS SOL W5111 -65.580 -85.373 21.317 1.00 0.00 H 
    16435  
    16436 Duplicate atom serial number found: 37180 
    16437 Duplicate atom serial number found: 37182 
    16438 Duplicate atom serial number found: 37184 
    16439 Duplicate atom serial number found: 37186 
    16440 Duplicate atom serial number found: 37188 
    16441 Ignored bad PDB record found on line 123027 
    16442 ATOM 3718a HWS SOL W5113 89.010 81.849 2.056 1.00 0.00 H 
    16443  
    16444 Ignored bad PDB record found on line 123028 
    16445 ATOM 3718c HWS SOL W5113 89.743 83.104 1.634 1.00 0.00 H 
    16446  
    16447 Ignored bad PDB record found on line 123029 
    16448 ATOM 3718e OWS SOL W5114 -86.786 77.080 5.268 1.00 0.00 O 
    16449  
    16450 Duplicate atom serial number found: 37190 
    16451 Duplicate atom serial number found: 37192 
    16452 Duplicate atom serial number found: 37194 
    16453 Duplicate atom serial number found: 37196 
    16454 Duplicate atom serial number found: 37198 
    16455 Ignored bad PDB record found on line 123035 
    16456 ATOM 3719a OWS SOL W5116 88.868 66.492 4.052 1.00 0.00 O 
    16457  
    16458 Ignored bad PDB record found on line 123036 
    16459 ATOM 3719c HWS SOL W5116 88.565 67.399 4.075 1.00 0.00 H 
    16460  
    16461 Ignored bad PDB record found on line 123037 
    16462 ATOM 3719e HWS SOL W5116 88.962 66.246 4.973 1.00 0.00 H 
    16463  
    16464 Ignored bad PDB record found on line 123038 
    16465 ATOM 371a0 OWS SOL W5117 -88.685 81.229 -0.928 1.00 0.00 O 
    16466  
    16467 Ignored bad PDB record found on line 123039 
    16468 ATOM 371a2 HWS SOL W5117 -88.674 80.688 -0.139 1.00 0.00 H 
    16469  
    16470 46 messages similar to the above omitted 
    16471 Duplicate atom serial number found: 37200 
    16472 Duplicate atom serial number found: 37202 
    16473 Duplicate atom serial number found: 37204 
    16474 Duplicate atom serial number found: 37206 
    16475 Duplicate atom serial number found: 37208 
    16476 Ignored bad PDB record found on line 123091 
    16477 ATOM 3720a HWS SOL W5128 -76.452 77.280 8.235 1.00 0.00 H 
    16478  
    16479 Ignored bad PDB record found on line 123092 
    16480 ATOM 3720c OWS SOL W5129 -79.048 -90.342 -27.043 1.00 0.00 O 
    16481  
    16482 Ignored bad PDB record found on line 123093 
    16483 ATOM 3720e HWS SOL W5129 -78.575 -89.582 -26.702 1.00 0.00 H 
    16484  
    16485 Duplicate atom serial number found: 37210 
    16486 Ignored bad PDB record found on line 123095 
    16487 ATOM 37212 OWS SOL W512a 83.973 -85.689 -7.623 1.00 0.00 O 
    16488  
    16489 Ignored bad PDB record found on line 123096 
    16490 ATOM 37214 HWS SOL W512a 83.027 -85.834 -7.620 1.00 0.00 H 
    16491  
    16492 Ignored bad PDB record found on line 123097 
    16493 ATOM 37216 HWS SOL W512a 84.349 -86.555 -7.781 1.00 0.00 H 
    16494  
    16495 Ignored bad PDB record found on line 123098 
    16496 ATOM 37218 OWS SOL W512b -80.547 82.661 -10.088 1.00 0.00 O 
    16497  
    16498 Ignored bad PDB record found on line 123099 
    16499 ATOM 3721a HWS SOL W512b -80.148 81.887 -9.692 1.00 0.00 H 
    16500  
    16501 13 messages similar to the above omitted 
    16502 Duplicate atom serial number found: 37236 
    16503 Duplicate atom serial number found: 37238 
    16504 Ignored bad PDB record found on line 123115 
    16505 ATOM 3723a HWS SOL W5130 -85.564 70.260 5.562 1.00 0.00 H 
    16506  
    16507 Ignored bad PDB record found on line 123116 
    16508 ATOM 3723c OWS SOL W5131 -81.034 83.067 -27.510 1.00 0.00 O 
    16509  
    16510 Ignored bad PDB record found on line 123117 
    16511 ATOM 3723e HWS SOL W5131 -80.389 83.195 -28.205 1.00 0.00 H 
    16512  
    16513 Duplicate atom serial number found: 37240 
    16514 Duplicate atom serial number found: 37242 
    16515 Duplicate atom serial number found: 37244 
    16516 Duplicate atom serial number found: 37246 
    16517 Duplicate atom serial number found: 37248 
    16518 Ignored bad PDB record found on line 123123 
    16519 ATOM 3724a HWS SOL W5133 83.097 -85.479 2.635 1.00 0.00 H 
    16520  
    16521 Ignored bad PDB record found on line 123124 
    16522 ATOM 3724c HWS SOL W5133 81.697 -85.497 2.058 1.00 0.00 H 
    16523  
    16524 Ignored bad PDB record found on line 123125 
    16525 ATOM 3724e OWS SOL W5134 -81.022 74.995 12.662 1.00 0.00 O 
    16526  
    16527 Duplicate atom serial number found: 37250 
    16528 Duplicate atom serial number found: 37252 
    16529 Duplicate atom serial number found: 37254 
    16530 Duplicate atom serial number found: 37256 
    16531 Duplicate atom serial number found: 37258 
    16532 Ignored bad PDB record found on line 123131 
    16533 ATOM 3725a OWS SOL W5136 -87.003 76.467 2.208 1.00 0.00 O 
    16534  
    16535 Ignored bad PDB record found on line 123132 
    16536 ATOM 3725c HWS SOL W5136 -87.490 76.774 1.443 1.00 0.00 H 
    16537  
    16538 Ignored bad PDB record found on line 123133 
    16539 ATOM 3725e HWS SOL W5136 -87.626 75.918 2.685 1.00 0.00 H 
    16540  
    16541 Duplicate atom serial number found: 37260 
    16542 Duplicate atom serial number found: 37262 
    16543 Duplicate atom serial number found: 37264 
    16544 Duplicate atom serial number found: 37266 
    16545 Duplicate atom serial number found: 37268 
    16546 Ignored bad PDB record found on line 123139 
    16547 ATOM 3726a HWS SOL W5138 -69.998 84.252 2.680 1.00 0.00 H 
    16548  
    16549 Ignored bad PDB record found on line 123140 
    16550 ATOM 3726c OWS SOL W5139 -77.150 -71.709 13.015 1.00 0.00 O 
    16551  
    16552 Ignored bad PDB record found on line 123141 
    16553 ATOM 3726e HWS SOL W5139 -77.413 -72.616 12.865 1.00 0.00 H 
    16554  
    16555 Duplicate atom serial number found: 37270 
    16556 Ignored bad PDB record found on line 123143 
    16557 ATOM 37272 OWS SOL W513a -83.194 77.784 -16.907 1.00 0.00 O 
    16558  
    16559 Ignored bad PDB record found on line 123144 
    16560 ATOM 37274 HWS SOL W513a -82.450 77.502 -16.374 1.00 0.00 H 
    16561  
    16562 Ignored bad PDB record found on line 123145 
    16563 ATOM 37276 HWS SOL W513a -83.135 78.739 -16.915 1.00 0.00 H 
    16564  
    16565 Ignored bad PDB record found on line 123146 
    16566 ATOM 37278 OWS SOL W513b 89.701 80.521 2.902 1.00 0.00 O 
    16567  
    16568 Ignored bad PDB record found on line 123147 
    16569 ATOM 3727a HWS SOL W513b 90.556 80.399 2.491 1.00 0.00 H 
    16570  
    16571 13 messages similar to the above omitted 
    16572 Duplicate atom serial number found: 37296 
    16573 Duplicate atom serial number found: 37298 
    16574 Ignored bad PDB record found on line 123163 
    16575 ATOM 3729a HWS SOL W5140 -84.204 87.049 -12.235 1.00 0.00 H 
    16576  
    16577 Ignored bad PDB record found on line 123164 
    16578 ATOM 3729c OWS SOL W5141 -50.985 87.312 3.146 1.00 0.00 O 
    16579  
    16580 Ignored bad PDB record found on line 123165 
    16581 ATOM 3729e HWS SOL W5141 -51.795 87.561 3.591 1.00 0.00 H 
    16582  
    16583 Ignored bad PDB record found on line 123166 
    16584 ATOM 372a0 HWS SOL W5141 -51.263 87.062 2.265 1.00 0.00 H 
    16585  
    16586 Ignored bad PDB record found on line 123167 
    16587 ATOM 372a2 OWS SOL W5142 -68.002 84.455 11.140 1.00 0.00 O 
    16588  
    16589 46 messages similar to the above omitted 
    16590 Duplicate atom serial number found: 37300 
    16591 Duplicate atom serial number found: 37302 
    16592 Duplicate atom serial number found: 37304 
    16593 Duplicate atom serial number found: 37306 
    16594 Duplicate atom serial number found: 37308 
    16595 Ignored bad PDB record found on line 123219 
    16596 ATOM 3730a HWS SOL W5153 -68.247 -83.723 32.303 1.00 0.00 H 
    16597  
    16598 Ignored bad PDB record found on line 123220 
    16599 ATOM 3730c HWS SOL W5153 -69.636 -83.824 31.709 1.00 0.00 H 
    16600  
    16601 Ignored bad PDB record found on line 123221 
    16602 ATOM 3730e OWS SOL W5154 84.234 85.593 58.022 1.00 0.00 O 
    16603  
    16604 Duplicate atom serial number found: 37310 
    16605 Duplicate atom serial number found: 37312 
    16606 Duplicate atom serial number found: 37314 
    16607 Duplicate atom serial number found: 37316 
    16608 Duplicate atom serial number found: 37318 
    16609 Ignored bad PDB record found on line 123227 
    16610 ATOM 3731a OWS SOL W5156 -84.317 79.660 38.403 1.00 0.00 O 
    16611  
    16612 Ignored bad PDB record found on line 123228 
    16613 ATOM 3731c HWS SOL W5156 -84.840 80.213 37.823 1.00 0.00 H 
    16614  
    16615 Ignored bad PDB record found on line 123229 
    16616 ATOM 3731e HWS SOL W5156 -83.496 79.526 37.930 1.00 0.00 H 
    16617  
    16618 Duplicate atom serial number found: 37320 
    16619 Duplicate atom serial number found: 37322 
    16620 Duplicate atom serial number found: 37324 
    16621 Duplicate atom serial number found: 37326 
    16622 Duplicate atom serial number found: 37328 
    16623 Ignored bad PDB record found on line 123235 
    16624 ATOM 3732a HWS SOL W5158 -68.552 80.362 37.322 1.00 0.00 H 
    16625  
    16626 Ignored bad PDB record found on line 123236 
    16627 ATOM 3732c OWS SOL W5159 -71.123 55.847 0.900 1.00 0.00 O 
    16628  
    16629 Ignored bad PDB record found on line 123237 
    16630 ATOM 3732e HWS SOL W5159 -72.026 55.561 0.761 1.00 0.00 H 
    16631  
    16632 Duplicate atom serial number found: 37330 
    16633 Ignored bad PDB record found on line 123239 
    16634 ATOM 37332 OWS SOL W515a -89.347 85.253 31.972 1.00 0.00 O 
    16635  
    16636 Ignored bad PDB record found on line 123240 
    16637 ATOM 37334 HWS SOL W515a -88.887 84.645 31.394 1.00 0.00 H 
    16638  
    16639 Ignored bad PDB record found on line 123241 
    16640 ATOM 37336 HWS SOL W515a -88.873 85.200 32.802 1.00 0.00 H 
    16641  
    16642 Ignored bad PDB record found on line 123242 
    16643 ATOM 37338 OWS SOL W515b -85.345 78.558 40.947 1.00 0.00 O 
    16644  
    16645 Ignored bad PDB record found on line 123243 
    16646 ATOM 3733a HWS SOL W515b -85.099 79.025 40.148 1.00 0.00 H 
    16647  
    16648 13 messages similar to the above omitted 
    16649 Duplicate atom serial number found: 37356 
    16650 Duplicate atom serial number found: 37358 
    16651 Ignored bad PDB record found on line 123259 
    16652 ATOM 3735a HWS SOL W5160 86.660 -86.212 20.958 1.00 0.00 H 
    16653  
    16654 Ignored bad PDB record found on line 123260 
    16655 ATOM 3735c OWS SOL W5161 -85.434 72.616 29.782 1.00 0.00 O 
    16656  
    16657 Ignored bad PDB record found on line 123261 
    16658 ATOM 3735e HWS SOL W5161 -85.632 71.965 30.455 1.00 0.00 H 
    16659  
    16660 Duplicate atom serial number found: 37360 
    16661 Duplicate atom serial number found: 37362 
    16662 Duplicate atom serial number found: 37364 
    16663 Duplicate atom serial number found: 37366 
    16664 Duplicate atom serial number found: 37368 
    16665 Ignored bad PDB record found on line 123267 
    16666 ATOM 3736a HWS SOL W5163 81.617 67.471 27.913 1.00 0.00 H 
    16667  
    16668 Ignored bad PDB record found on line 123268 
    16669 ATOM 3736c HWS SOL W5163 82.259 68.195 29.077 1.00 0.00 H 
    16670  
    16671 Ignored bad PDB record found on line 123269 
    16672 ATOM 3736e OWS SOL W5164 81.074 53.846 27.384 1.00 0.00 O 
    16673  
    16674 Duplicate atom serial number found: 37370 
    16675 Duplicate atom serial number found: 37372 
    16676 Duplicate atom serial number found: 37374 
    16677 Duplicate atom serial number found: 37376 
    16678 Duplicate atom serial number found: 37378 
    16679 Ignored bad PDB record found on line 123275 
    16680 ATOM 3737a OWS SOL W5166 -73.733 53.824 24.882 1.00 0.00 O 
    16681  
    16682 Ignored bad PDB record found on line 123276 
    16683 ATOM 3737c HWS SOL W5166 -73.947 54.563 25.452 1.00 0.00 H 
    16684  
    16685 Ignored bad PDB record found on line 123277 
    16686 ATOM 3737e HWS SOL W5166 -73.034 53.360 25.343 1.00 0.00 H 
    16687  
    16688 Duplicate atom serial number found: 37380 
    16689 Duplicate atom serial number found: 37382 
    16690 Duplicate atom serial number found: 37384 
    16691 Duplicate atom serial number found: 37386 
    16692 Duplicate atom serial number found: 37388 
    16693 Ignored bad PDB record found on line 123283 
    16694 ATOM 3738a HWS SOL W5168 -84.796 -83.328 25.887 1.00 0.00 H 
    16695  
    16696 Ignored bad PDB record found on line 123284 
    16697 ATOM 3738c OWS SOL W5169 73.399 -87.965 13.100 1.00 0.00 O 
    16698  
    16699 Ignored bad PDB record found on line 123285 
    16700 ATOM 3738e HWS SOL W5169 73.547 -88.910 13.141 1.00 0.00 H 
    16701  
    16702 Duplicate atom serial number found: 37390 
    16703 Ignored bad PDB record found on line 123287 
    16704 ATOM 37392 OWS SOL W516a -71.156 -74.569 29.745 1.00 0.00 O 
    16705  
    16706 Ignored bad PDB record found on line 123288 
    16707 ATOM 37394 HWS SOL W516a -71.258 -74.732 28.808 1.00 0.00 H 
    16708  
    16709 Ignored bad PDB record found on line 123289 
    16710 ATOM 37396 HWS SOL W516a -70.211 -74.490 29.874 1.00 0.00 H 
    16711  
    16712 Ignored bad PDB record found on line 123290 
    16713 ATOM 37398 OWS SOL W516b -61.283 72.198 39.934 1.00 0.00 O 
    16714  
    16715 Ignored bad PDB record found on line 123291 
    16716 ATOM 3739a HWS SOL W516b -61.360 72.045 38.993 1.00 0.00 H 
    16717  
    16718 61 messages similar to the above omitted 
    16719 Duplicate atom serial number found: 37416 
    16720 Duplicate atom serial number found: 37418 
    16721 Ignored bad PDB record found on line 123355 
    16722 ATOM 3741a HWS SOL W5180 -84.815 83.793 32.884 1.00 0.00 H 
    16723  
    16724 Ignored bad PDB record found on line 123356 
    16725 ATOM 3741c OWS SOL W5181 -85.591 60.143 0.541 1.00 0.00 O 
    16726  
    16727 Ignored bad PDB record found on line 123357 
    16728 ATOM 3741e HWS SOL W5181 -86.431 59.708 0.396 1.00 0.00 H 
    16729  
    16730 Duplicate atom serial number found: 37420 
    16731 Duplicate atom serial number found: 37422 
    16732 Duplicate atom serial number found: 37424 
    16733 Duplicate atom serial number found: 37426 
    16734 Duplicate atom serial number found: 37428 
    16735 Ignored bad PDB record found on line 123363 
    16736 ATOM 3742a HWS SOL W5183 -87.226 64.482 28.929 1.00 0.00 H 
    16737  
    16738 Ignored bad PDB record found on line 123364 
    16739 ATOM 3742c HWS SOL W5183 -86.494 65.806 28.961 1.00 0.00 H 
    16740  
    16741 Ignored bad PDB record found on line 123365 
    16742 ATOM 3742e OWS SOL W5184 -71.576 62.980 35.070 1.00 0.00 O 
    16743  
    16744 Duplicate atom serial number found: 37430 
    16745 Duplicate atom serial number found: 37432 
    16746 Duplicate atom serial number found: 37434 
    16747 Duplicate atom serial number found: 37436 
    16748 Duplicate atom serial number found: 37438 
    16749 Ignored bad PDB record found on line 123371 
    16750 ATOM 3743a OWS SOL W5186 80.021 -88.178 25.243 1.00 0.00 O 
    16751  
    16752 Ignored bad PDB record found on line 123372 
    16753 ATOM 3743c HWS SOL W5186 79.786 -87.640 24.487 1.00 0.00 H 
    16754  
    16755 Ignored bad PDB record found on line 123373 
    16756 ATOM 3743e HWS SOL W5186 80.572 -87.609 25.780 1.00 0.00 H 
    16757  
    16758 Duplicate atom serial number found: 37440 
    16759 Duplicate atom serial number found: 37442 
    16760 Duplicate atom serial number found: 37444 
    16761 Duplicate atom serial number found: 37446 
    16762 Duplicate atom serial number found: 37448 
    16763 Ignored bad PDB record found on line 123379 
    16764 ATOM 3744a HWS SOL W5188 -80.246 77.565 34.643 1.00 0.00 H 
    16765  
    16766 Ignored bad PDB record found on line 123380 
    16767 ATOM 3744c OWS SOL W5189 -85.507 82.866 49.332 1.00 0.00 O 
    16768  
    16769 Ignored bad PDB record found on line 123381 
    16770 ATOM 3744e HWS SOL W5189 -85.823 82.243 49.986 1.00 0.00 H 
    16771  
    16772 Duplicate atom serial number found: 37450 
    16773 Ignored bad PDB record found on line 123383 
    16774 ATOM 37452 OWS SOL W518a -80.090 71.019 20.040 1.00 0.00 O 
    16775  
    16776 Ignored bad PDB record found on line 123384 
    16777 ATOM 37454 HWS SOL W518a -79.565 70.437 20.590 1.00 0.00 H 
    16778  
    16779 Ignored bad PDB record found on line 123385 
    16780 ATOM 37456 HWS SOL W518a -79.450 71.476 19.495 1.00 0.00 H 
    16781  
    16782 Ignored bad PDB record found on line 123386 
    16783 ATOM 37458 OWS SOL W518b -87.355 73.737 46.132 1.00 0.00 O 
    16784  
    16785 Ignored bad PDB record found on line 123387 
    16786 ATOM 3745a HWS SOL W518b -88.262 73.796 46.433 1.00 0.00 H 
    16787  
    16788 13 messages similar to the above omitted 
    16789 Duplicate atom serial number found: 37476 
    16790 Duplicate atom serial number found: 37478 
    16791 Ignored bad PDB record found on line 123403 
    16792 ATOM 3747a HWS SOL W5190 -77.436 79.237 25.861 1.00 0.00 H 
    16793  
    16794 Ignored bad PDB record found on line 123404 
    16795 ATOM 3747c OWS SOL W5191 79.000 71.063 29.890 1.00 0.00 O 
    16796  
    16797 Ignored bad PDB record found on line 123405 
    16798 ATOM 3747e HWS SOL W5191 78.557 70.575 29.196 1.00 0.00 H 
    16799  
    16800 Duplicate atom serial number found: 37480 
    16801 Duplicate atom serial number found: 37482 
    16802 Duplicate atom serial number found: 37484 
    16803 Duplicate atom serial number found: 37486 
    16804 Duplicate atom serial number found: 37488 
    16805 Ignored bad PDB record found on line 123411 
    16806 ATOM 3748a HWS SOL W5193 -84.184 66.340 21.400 1.00 0.00 H 
    16807  
    16808 Ignored bad PDB record found on line 123412 
    16809 ATOM 3748c HWS SOL W5193 -83.060 66.761 22.323 1.00 0.00 H 
    16810  
    16811 Ignored bad PDB record found on line 123413 
    16812 ATOM 3748e OWS SOL W5194 85.497 76.727 42.094 1.00 0.00 O 
    16813  
    16814 Duplicate atom serial number found: 37490 
    16815 Duplicate atom serial number found: 37492 
    16816 Duplicate atom serial number found: 37494 
    16817 Duplicate atom serial number found: 37496 
    16818 Duplicate atom serial number found: 37498 
    16819 Ignored bad PDB record found on line 123419 
    16820 ATOM 3749a OWS SOL W5196 -76.981 83.884 46.503 1.00 0.00 O 
    16821  
    16822 Ignored bad PDB record found on line 123420 
    16823 ATOM 3749c HWS SOL W5196 -76.131 84.084 46.895 1.00 0.00 H 
    16824  
    16825 Ignored bad PDB record found on line 123421 
    16826 ATOM 3749e HWS SOL W5196 -77.543 84.613 46.763 1.00 0.00 H 
    16827  
    16828 Ignored bad PDB record found on line 123422 
    16829 ATOM 374a0 OWS SOL W5197 79.013 58.947 30.794 1.00 0.00 O 
    16830  
    16831 Ignored bad PDB record found on line 123423 
    16832 ATOM 374a2 HWS SOL W5197 79.219 59.322 31.651 1.00 0.00 H 
    16833  
    16834 313 messages similar to the above omitted 
    16835 Duplicate atom serial number found: 37716 
    16836 Duplicate atom serial number found: 37718 
    16837 Ignored bad PDB record found on line 123739 
    16838 ATOM 3771a HWS SOL W5200 -65.060 73.275 28.078 1.00 0.00 H 
    16839  
    16840 Ignored bad PDB record found on line 123740 
    16841 ATOM 3771c OWS SOL W5201 -79.286 59.312 32.260 1.00 0.00 O 
    16842  
    16843 Ignored bad PDB record found on line 123741 
    16844 ATOM 3771e HWS SOL W5201 -78.627 59.151 31.584 1.00 0.00 H 
    16845  
    16846 Duplicate atom serial number found: 37720 
    16847 Duplicate atom serial number found: 37722 
    16848 Duplicate atom serial number found: 37724 
    16849 Duplicate atom serial number found: 37726 
    16850 Duplicate atom serial number found: 37728 
    16851 Ignored bad PDB record found on line 123747 
    16852 ATOM 3772a HWS SOL W5203 88.643 -85.359 42.812 1.00 0.00 H 
    16853  
    16854 Ignored bad PDB record found on line 123748 
    16855 ATOM 3772c HWS SOL W5203 89.148 -86.250 41.698 1.00 0.00 H 
    16856  
    16857 Ignored bad PDB record found on line 123749 
    16858 ATOM 3772e OWS SOL W5204 -66.958 84.806 42.875 1.00 0.00 O 
    16859  
    16860 Duplicate atom serial number found: 37730 
    16861 Duplicate atom serial number found: 37732 
    16862 Duplicate atom serial number found: 37734 
    16863 Duplicate atom serial number found: 37736 
    16864 Duplicate atom serial number found: 37738 
    16865 Ignored bad PDB record found on line 123755 
    16866 ATOM 3773a OWS SOL W5206 -88.384 71.479 39.523 1.00 0.00 O 
    16867  
    16868 Ignored bad PDB record found on line 123756 
    16869 ATOM 3773c HWS SOL W5206 -87.444 71.526 39.699 1.00 0.00 H 
    16870  
    16871 Ignored bad PDB record found on line 123757 
    16872 ATOM 3773e HWS SOL W5206 -88.621 70.575 39.727 1.00 0.00 H 
    16873  
    16874 Duplicate atom serial number found: 37740 
    16875 Duplicate atom serial number found: 37742 
    16876 Duplicate atom serial number found: 37744 
    16877 Duplicate atom serial number found: 37746 
    16878 Duplicate atom serial number found: 37748 
    16879 Ignored bad PDB record found on line 123763 
    16880 ATOM 3774a HWS SOL W5208 -75.060 81.248 21.361 1.00 0.00 H 
    16881  
    16882 Ignored bad PDB record found on line 123764 
    16883 ATOM 3774c OWS SOL W5209 86.587 75.087 38.019 1.00 0.00 O 
    16884  
    16885 Ignored bad PDB record found on line 123765 
    16886 ATOM 3774e HWS SOL W5209 85.781 75.602 37.981 1.00 0.00 H 
    16887  
    16888 Duplicate atom serial number found: 37750 
    16889 Ignored bad PDB record found on line 123767 
    16890 ATOM 37752 OWS SOL W520a -82.440 62.543 10.386 1.00 0.00 O 
    16891  
    16892 Ignored bad PDB record found on line 123768 
    16893 ATOM 37754 HWS SOL W520a -81.577 62.711 10.764 1.00 0.00 H 
    16894  
    16895 Ignored bad PDB record found on line 123769 
    16896 ATOM 37756 HWS SOL W520a -83.055 62.753 11.089 1.00 0.00 H 
    16897  
    16898 Ignored bad PDB record found on line 123770 
    16899 ATOM 37758 OWS SOL W520b -81.277 54.334 30.993 1.00 0.00 O 
    16900  
    16901 Ignored bad PDB record found on line 123771 
    16902 ATOM 3775a HWS SOL W520b -81.025 54.373 31.915 1.00 0.00 H 
    16903  
    16904 10 messages similar to the above omitted 
    16905 Duplicate atom serial number found: 37770 
    16906 Duplicate atom serial number found: 37772 
    16907 Duplicate atom serial number found: 37774 
    16908 Duplicate atom serial number found: 37776 
    16909 Duplicate atom serial number found: 37778 
    16910 Ignored bad PDB record found on line 123787 
    16911 ATOM 3777a HWS SOL W5211 -83.996 60.405 32.005 1.00 0.00 H 
    16912  
    16913 Ignored bad PDB record found on line 123788 
    16914 ATOM 3777c OWS SOL W5212 -85.384 87.243 44.543 1.00 0.00 O 
    16915  
    16916 Ignored bad PDB record found on line 123789 
    16917 ATOM 3777e HWS SOL W5212 -85.683 87.990 45.061 1.00 0.00 H 
    16918  
    16919 Duplicate atom serial number found: 37780 
    16920 Duplicate atom serial number found: 37782 
    16921 Duplicate atom serial number found: 37784 
    16922 Duplicate atom serial number found: 37786 
    16923 Duplicate atom serial number found: 37788 
    16924 Ignored bad PDB record found on line 123795 
    16925 ATOM 3778a HWS SOL W5214 -75.243 76.873 4.070 1.00 0.00 H 
    16926  
    16927 Ignored bad PDB record found on line 123796 
    16928 ATOM 3778c HWS SOL W5214 -73.744 77.046 4.196 1.00 0.00 H 
    16929  
    16930 Ignored bad PDB record found on line 123797 
    16931 ATOM 3778e OWS SOL W5215 81.989 75.654 39.845 1.00 0.00 O 
    16932  
    16933 Duplicate atom serial number found: 37790 
    16934 Duplicate atom serial number found: 37792 
    16935 Duplicate atom serial number found: 37794 
    16936 Duplicate atom serial number found: 37796 
    16937 Duplicate atom serial number found: 37798 
    16938 Ignored bad PDB record found on line 123803 
    16939 ATOM 3779a OWS SOL W5217 -82.277 60.559 36.521 1.00 0.00 O 
    16940  
    16941 Ignored bad PDB record found on line 123804 
    16942 ATOM 3779c HWS SOL W5217 -82.446 60.572 37.463 1.00 0.00 H 
    16943  
    16944 Ignored bad PDB record found on line 123805 
    16945 ATOM 3779e HWS SOL W5217 -81.982 61.447 36.318 1.00 0.00 H 
    16946  
    16947 Ignored bad PDB record found on line 123806 
    16948 ATOM 377a0 OWS SOL W5218 -89.985 75.100 53.813 1.00 0.00 O 
    16949  
    16950 Ignored bad PDB record found on line 123807 
    16951 ATOM 377a2 HWS SOL W5218 -89.424 74.390 54.125 1.00 0.00 H 
    16952  
    16953 46 messages similar to the above omitted 
    16954 Duplicate atom serial number found: 37800 
    16955 Duplicate atom serial number found: 37802 
    16956 Duplicate atom serial number found: 37804 
    16957 Duplicate atom serial number found: 37806 
    16958 Duplicate atom serial number found: 37808 
    16959 Ignored bad PDB record found on line 123859 
    16960 ATOM 3780a HWS SOL W5229 -79.329 85.022 37.362 1.00 0.00 H 
    16961  
    16962 Ignored bad PDB record found on line 123860 
    16963 ATOM 3780c OWS SOL W522a -81.720 74.840 26.607 1.00 0.00 O 
    16964  
    16965 Ignored bad PDB record found on line 123861 
    16966 ATOM 3780e HWS SOL W522a -82.674 74.824 26.525 1.00 0.00 H 
    16967  
    16968 Ignored bad PDB record found on line 123862 
    16969 ATOM 37810 HWS SOL W522a -81.549 75.479 27.298 1.00 0.00 H 
    16970  
    16971 Ignored bad PDB record found on line 123863 
    16972 ATOM 37812 OWS SOL W522b -71.752 89.055 3.455 1.00 0.00 O 
    16973  
    16974 14 messages similar to the above omitted 
    16975 Duplicate atom serial number found: 37830 
    16976 Duplicate atom serial number found: 37832 
    16977 Duplicate atom serial number found: 37834 
    16978 Duplicate atom serial number found: 37836 
    16979 Duplicate atom serial number found: 37838 
    16980 Ignored bad PDB record found on line 123883 
    16981 ATOM 3783a HWS SOL W5231 -83.300 80.140 24.381 1.00 0.00 H 
    16982  
    16983 Ignored bad PDB record found on line 123884 
    16984 ATOM 3783c OWS SOL W5232 -81.971 66.989 33.412 1.00 0.00 O 
    16985  
    16986 Ignored bad PDB record found on line 123885 
    16987 ATOM 3783e HWS SOL W5232 -81.489 67.794 33.225 1.00 0.00 H 
    16988  
    16989 Duplicate atom serial number found: 37840 
    16990 Duplicate atom serial number found: 37842 
    16991 Duplicate atom serial number found: 37844 
    16992 Duplicate atom serial number found: 37846 
    16993 Duplicate atom serial number found: 37848 
    16994 Ignored bad PDB record found on line 123891 
    16995 ATOM 3784a HWS SOL W5234 -56.334 -87.745 33.849 1.00 0.00 H 
    16996  
    16997 Ignored bad PDB record found on line 123892 
    16998 ATOM 3784c HWS SOL W5234 -55.433 -88.118 35.007 1.00 0.00 H 
    16999  
    17000 Ignored bad PDB record found on line 123893 
    17001 ATOM 3784e OWS SOL W5235 -66.653 84.255 34.393 1.00 0.00 O 
    17002  
    17003 Duplicate atom serial number found: 37850 
    17004 Duplicate atom serial number found: 37852 
    17005 Duplicate atom serial number found: 37854 
    17006 Duplicate atom serial number found: 37856 
    17007 Duplicate atom serial number found: 37858 
    17008 Ignored bad PDB record found on line 123899 
    17009 ATOM 3785a OWS SOL W5237 -64.087 78.062 16.165 1.00 0.00 O 
    17010  
    17011 Ignored bad PDB record found on line 123900 
    17012 ATOM 3785c HWS SOL W5237 -63.488 77.315 16.157 1.00 0.00 H 
    17013  
    17014 Ignored bad PDB record found on line 123901 
    17015 ATOM 3785e HWS SOL W5237 -64.157 78.323 15.246 1.00 0.00 H 
    17016  
    17017 Duplicate atom serial number found: 37860 
    17018 Duplicate atom serial number found: 37862 
    17019 Duplicate atom serial number found: 37864 
    17020 Duplicate atom serial number found: 37866 
    17021 Duplicate atom serial number found: 37868 
    17022 Ignored bad PDB record found on line 123907 
    17023 ATOM 3786a HWS SOL W5239 80.432 79.087 30.126 1.00 0.00 H 
    17024  
    17025 Ignored bad PDB record found on line 123908 
    17026 ATOM 3786c OWS SOL W523a -74.628 76.323 51.877 1.00 0.00 O 
    17027  
    17028 Ignored bad PDB record found on line 123909 
    17029 ATOM 3786e HWS SOL W523a -73.810 76.797 51.721 1.00 0.00 H 
    17030  
    17031 Ignored bad PDB record found on line 123910 
    17032 ATOM 37870 HWS SOL W523a -75.160 76.928 52.395 1.00 0.00 H 
    17033  
    17034 Ignored bad PDB record found on line 123911 
    17035 ATOM 37872 OWS SOL W523b -78.717 85.870 47.149 1.00 0.00 O 
    17036  
    17037 14 messages similar to the above omitted 
    17038 Duplicate atom serial number found: 37890 
    17039 Duplicate atom serial number found: 37892 
    17040 Duplicate atom serial number found: 37894 
    17041 Duplicate atom serial number found: 37896 
    17042 Duplicate atom serial number found: 37898 
    17043 Ignored bad PDB record found on line 123931 
    17044 ATOM 3789a HWS SOL W5241 -75.792 86.501 35.060 1.00 0.00 H 
    17045  
    17046 Ignored bad PDB record found on line 123932 
    17047 ATOM 3789c OWS SOL W5242 -78.238 70.484 27.439 1.00 0.00 O 
    17048  
    17049 Ignored bad PDB record found on line 123933 
    17050 ATOM 3789e HWS SOL W5242 -77.481 70.688 27.988 1.00 0.00 H 
    17051  
    17052 Ignored bad PDB record found on line 123934 
    17053 ATOM 378a0 HWS SOL W5242 -78.874 71.169 27.643 1.00 0.00 H 
    17054  
    17055 Ignored bad PDB record found on line 123935 
    17056 ATOM 378a2 OWS SOL W5243 -72.541 83.116 42.750 1.00 0.00 O 
    17057  
    17058 46 messages similar to the above omitted 
    17059 Duplicate atom serial number found: 37900 
    17060 Duplicate atom serial number found: 37902 
    17061 Duplicate atom serial number found: 37904 
    17062 Duplicate atom serial number found: 37906 
    17063 Duplicate atom serial number found: 37908 
    17064 Ignored bad PDB record found on line 123987 
    17065 ATOM 3790a HWS SOL W5254 78.304 72.931 21.988 1.00 0.00 H 
    17066  
    17067 Ignored bad PDB record found on line 123988 
    17068 ATOM 3790c HWS SOL W5254 78.229 71.762 22.948 1.00 0.00 H 
    17069  
    17070 Ignored bad PDB record found on line 123989 
    17071 ATOM 3790e OWS SOL W5255 -84.527 -88.791 12.921 1.00 0.00 O 
    17072  
    17073 Duplicate atom serial number found: 37910 
    17074 Duplicate atom serial number found: 37912 
    17075 Duplicate atom serial number found: 37914 
    17076 Duplicate atom serial number found: 37916 
    17077 Duplicate atom serial number found: 37918 
    17078 Ignored bad PDB record found on line 123995 
    17079 ATOM 3791a OWS SOL W5257 80.602 56.649 33.130 1.00 0.00 O 
    17080  
    17081 Ignored bad PDB record found on line 123996 
    17082 ATOM 3791c HWS SOL W5257 79.937 57.248 33.468 1.00 0.00 H 
    17083  
    17084 Ignored bad PDB record found on line 123997 
    17085 ATOM 3791e HWS SOL W5257 81.386 57.190 33.031 1.00 0.00 H 
    17086  
    17087 Duplicate atom serial number found: 37920 
    17088 Duplicate atom serial number found: 37922 
    17089 Duplicate atom serial number found: 37924 
    17090 Duplicate atom serial number found: 37926 
    17091 Duplicate atom serial number found: 37928 
    17092 Ignored bad PDB record found on line 124003 
    17093 ATOM 3792a HWS SOL W5259 -82.103 87.020 62.294 1.00 0.00 H 
    17094  
    17095 Ignored bad PDB record found on line 124004 
    17096 ATOM 3792c OWS SOL W525a -78.097 86.994 42.677 1.00 0.00 O 
    17097  
    17098 Ignored bad PDB record found on line 124005 
    17099 ATOM 3792e HWS SOL W525a -78.730 86.439 42.221 1.00 0.00 H 
    17100  
    17101 Ignored bad PDB record found on line 124006 
    17102 ATOM 37930 HWS SOL W525a -77.864 87.668 42.039 1.00 0.00 H 
    17103  
    17104 Ignored bad PDB record found on line 124007 
    17105 ATOM 37932 OWS SOL W525b -73.462 72.769 36.184 1.00 0.00 O 
    17106  
    17107 14 messages similar to the above omitted 
    17108 Duplicate atom serial number found: 37950 
    17109 Duplicate atom serial number found: 37952 
    17110 Duplicate atom serial number found: 37954 
    17111 Duplicate atom serial number found: 37956 
    17112 Duplicate atom serial number found: 37958 
    17113 Ignored bad PDB record found on line 124027 
    17114 ATOM 3795a HWS SOL W5261 -79.231 75.102 38.145 1.00 0.00 H 
    17115  
    17116 Ignored bad PDB record found on line 124028 
    17117 ATOM 3795c OWS SOL W5262 -85.416 86.677 29.199 1.00 0.00 O 
    17118  
    17119 Ignored bad PDB record found on line 124029 
    17120 ATOM 3795e HWS SOL W5262 -85.675 87.299 28.519 1.00 0.00 H 
    17121  
    17122 Duplicate atom serial number found: 37960 
    17123 Duplicate atom serial number found: 37962 
    17124 Duplicate atom serial number found: 37964 
    17125 Duplicate atom serial number found: 37966 
    17126 Duplicate atom serial number found: 37968 
    17127 Ignored bad PDB record found on line 124035 
    17128 ATOM 3796a HWS SOL W5264 -84.271 83.628 27.769 1.00 0.00 H 
    17129  
    17130 Ignored bad PDB record found on line 124036 
    17131 ATOM 3796c HWS SOL W5264 -84.510 83.991 26.319 1.00 0.00 H 
    17132  
    17133 Ignored bad PDB record found on line 124037 
    17134 ATOM 3796e OWS SOL W5265 -74.413 -74.313 49.111 1.00 0.00 O 
    17135  
    17136 Duplicate atom serial number found: 37970 
    17137 Duplicate atom serial number found: 37972 
    17138 Duplicate atom serial number found: 37974 
    17139 Duplicate atom serial number found: 37976 
    17140 Duplicate atom serial number found: 37978 
    17141 Ignored bad PDB record found on line 124043 
    17142 ATOM 3797a OWS SOL W5267 79.087 70.743 -13.179 1.00 0.00 O 
    17143  
    17144 Ignored bad PDB record found on line 124044 
    17145 ATOM 3797c HWS SOL W5267 79.943 70.906 -13.574 1.00 0.00 H 
    17146  
    17147 Ignored bad PDB record found on line 124045 
    17148 ATOM 3797e HWS SOL W5267 78.489 70.671 -13.923 1.00 0.00 H 
    17149  
    17150 Duplicate atom serial number found: 37980 
    17151 Duplicate atom serial number found: 37982 
    17152 Duplicate atom serial number found: 37984 
    17153 Duplicate atom serial number found: 37986 
    17154 Duplicate atom serial number found: 37988 
    17155 Ignored bad PDB record found on line 124051 
    17156 ATOM 3798a HWS SOL W5269 -89.551 85.078 42.666 1.00 0.00 H 
    17157  
    17158 Ignored bad PDB record found on line 124052 
    17159 ATOM 3798c OWS SOL W526a -75.997 71.086 49.681 1.00 0.00 O 
    17160  
    17161 Ignored bad PDB record found on line 124053 
    17162 ATOM 3798e HWS SOL W526a -75.516 71.670 49.096 1.00 0.00 H 
    17163  
    17164 Ignored bad PDB record found on line 124054 
    17165 ATOM 37990 HWS SOL W526a -76.202 71.625 50.445 1.00 0.00 H 
    17166  
    17167 Ignored bad PDB record found on line 124055 
    17168 ATOM 37992 OWS SOL W526b -81.225 89.058 9.138 1.00 0.00 O 
    17169  
    17170 822 messages similar to the above omitted 
    17171 Duplicate atom serial number found: 38000 
    17172 Duplicate atom serial number found: 38002 
    17173 Duplicate atom serial number found: 38004 
    17174 Duplicate atom serial number found: 38006 
    17175 Duplicate atom serial number found: 38008 
    17176 Ignored bad PDB record found on line 124883 
    17177 ATOM 3800a OWS SOL W5383 -62.148 74.120 42.146 1.00 0.00 O 
    17178  
    17179 Ignored bad PDB record found on line 124884 
    17180 ATOM 3800c HWS SOL W5383 -61.755 73.470 41.563 1.00 0.00 H 
    17181  
    17182 Ignored bad PDB record found on line 124885 
    17183 ATOM 3800e HWS SOL W5383 -62.657 74.686 41.565 1.00 0.00 H 
    17184  
    17185 Duplicate atom serial number found: 38010 
    17186 Duplicate atom serial number found: 38012 
    17187 Duplicate atom serial number found: 38014 
    17188 Duplicate atom serial number found: 38016 
    17189 Duplicate atom serial number found: 38018 
    17190 Ignored bad PDB record found on line 124891 
    17191 ATOM 3801a HWS SOL W5385 84.289 72.076 64.564 1.00 0.00 H 
    17192  
    17193 Ignored bad PDB record found on line 124892 
    17194 ATOM 3801c OWS SOL W5386 -69.469 74.935 51.481 1.00 0.00 O 
    17195  
    17196 Ignored bad PDB record found on line 124893 
    17197 ATOM 3801e HWS SOL W5386 -70.222 75.241 51.986 1.00 0.00 H 
    17198  
    17199 Duplicate atom serial number found: 38020 
    17200 Duplicate atom serial number found: 38022 
    17201 Duplicate atom serial number found: 38024 
    17202 Duplicate atom serial number found: 38026 
    17203 Duplicate atom serial number found: 38028 
    17204 Ignored bad PDB record found on line 124899 
    17205 ATOM 3802a HWS SOL W5388 -76.697 -83.836 63.167 1.00 0.00 H 
    17206  
    17207 Ignored bad PDB record found on line 124900 
    17208 ATOM 3802c HWS SOL W5388 -77.575 -85.011 63.542 1.00 0.00 H 
    17209  
    17210 Ignored bad PDB record found on line 124901 
    17211 ATOM 3802e OWS SOL W5389 -82.788 -78.403 44.603 1.00 0.00 O 
    17212  
    17213 Duplicate atom serial number found: 38030 
    17214 Duplicate atom serial number found: 38032 
    17215 Ignored bad PDB record found on line 124904 
    17216 ATOM 38034 OWS SOL W538a -82.980 51.283 43.919 1.00 0.00 O 
    17217  
    17218 Ignored bad PDB record found on line 124905 
    17219 ATOM 38036 HWS SOL W538a -83.025 50.986 43.010 1.00 0.00 H 
    17220  
    17221 Ignored bad PDB record found on line 124906 
    17222 ATOM 38038 HWS SOL W538a -83.662 51.951 43.988 1.00 0.00 H 
    17223  
    17224 Ignored bad PDB record found on line 124907 
    17225 ATOM 3803a OWS SOL W538b -87.092 57.242 77.640 1.00 0.00 O 
    17226  
    17227 Ignored bad PDB record found on line 124908 
    17228 ATOM 3803c HWS SOL W538b -87.200 57.906 76.958 1.00 0.00 H 
    17229  
    17230 13 messages similar to the above omitted 
    17231 Duplicate atom serial number found: 38058 
    17232 Ignored bad PDB record found on line 124923 
    17233 ATOM 3805a HWS SOL W5390 -73.241 53.541 45.522 1.00 0.00 H 
    17234  
    17235 Ignored bad PDB record found on line 124924 
    17236 ATOM 3805c HWS SOL W5390 -74.527 54.286 45.810 1.00 0.00 H 
    17237  
    17238 Ignored bad PDB record found on line 124925 
    17239 ATOM 3805e OWS SOL W5391 -77.536 65.454 79.552 1.00 0.00 O 
    17240  
    17241 Duplicate atom serial number found: 38060 
    17242 Duplicate atom serial number found: 38062 
    17243 Duplicate atom serial number found: 38064 
    17244 Duplicate atom serial number found: 38066 
    17245 Duplicate atom serial number found: 38068 
    17246 Ignored bad PDB record found on line 124931 
    17247 ATOM 3806a OWS SOL W5393 -77.118 67.156 62.658 1.00 0.00 O 
    17248  
    17249 Ignored bad PDB record found on line 124932 
    17250 ATOM 3806c HWS SOL W5393 -76.555 66.672 63.262 1.00 0.00 H 
    17251  
    17252 Ignored bad PDB record found on line 124933 
    17253 ATOM 3806e HWS SOL W5393 -76.615 67.202 61.845 1.00 0.00 H 
    17254  
    17255 Duplicate atom serial number found: 38070 
    17256 Duplicate atom serial number found: 38072 
    17257 Duplicate atom serial number found: 38074 
    17258 Duplicate atom serial number found: 38076 
    17259 Duplicate atom serial number found: 38078 
    17260 Ignored bad PDB record found on line 124939 
    17261 ATOM 3807a HWS SOL W5395 -77.344 69.840 60.647 1.00 0.00 H 
    17262  
    17263 Ignored bad PDB record found on line 124940 
    17264 ATOM 3807c OWS SOL W5396 -70.133 79.861 56.486 1.00 0.00 O 
    17265  
    17266 Ignored bad PDB record found on line 124941 
    17267 ATOM 3807e HWS SOL W5396 -69.675 80.137 55.692 1.00 0.00 H 
    17268  
    17269 Duplicate atom serial number found: 38080 
    17270 Duplicate atom serial number found: 38082 
    17271 Duplicate atom serial number found: 38084 
    17272 Duplicate atom serial number found: 38086 
    17273 Duplicate atom serial number found: 38088 
    17274 Ignored bad PDB record found on line 124947 
    17275 ATOM 3808a HWS SOL W5398 -71.504 -84.342 58.985 1.00 0.00 H 
    17276  
    17277 Ignored bad PDB record found on line 124948 
    17278 ATOM 3808c HWS SOL W5398 -70.451 -83.646 59.821 1.00 0.00 H 
    17279  
    17280 Ignored bad PDB record found on line 124949 
    17281 ATOM 3808e OWS SOL W5399 -87.439 82.559 47.518 1.00 0.00 O 
    17282  
    17283 Duplicate atom serial number found: 38090 
    17284 Duplicate atom serial number found: 38092 
    17285 Ignored bad PDB record found on line 124952 
    17286 ATOM 38094 OWS SOL W539a -84.888 66.804 62.994 1.00 0.00 O 
    17287  
    17288 Ignored bad PDB record found on line 124953 
    17289 ATOM 38096 HWS SOL W539a -85.678 66.897 62.462 1.00 0.00 H 
    17290  
    17291 Ignored bad PDB record found on line 124954 
    17292 ATOM 38098 HWS SOL W539a -84.391 67.605 62.828 1.00 0.00 H 
    17293  
    17294 Ignored bad PDB record found on line 124955 
    17295 ATOM 3809a OWS SOL W539b -56.133 75.769 64.987 1.00 0.00 O 
    17296  
    17297 Ignored bad PDB record found on line 124956 
    17298 ATOM 3809c HWS SOL W539b -55.436 76.423 65.049 1.00 0.00 H 
    17299  
    17300 305 messages similar to the above omitted 
    17301 Duplicate atom serial number found: 38300 
    17302 Duplicate atom serial number found: 38302 
    17303 Duplicate atom serial number found: 38304 
    17304 Duplicate atom serial number found: 38306 
    17305 Duplicate atom serial number found: 38308 
    17306 Ignored bad PDB record found on line 125267 
    17307 ATOM 3830a OWS SOL W5403 -73.055 75.966 61.629 1.00 0.00 O 
    17308  
    17309 Ignored bad PDB record found on line 125268 
    17310 ATOM 3830c HWS SOL W5403 -73.555 75.154 61.545 1.00 0.00 H 
    17311  
    17312 Ignored bad PDB record found on line 125269 
    17313 ATOM 3830e HWS SOL W5403 -72.314 75.734 62.189 1.00 0.00 H 
    17314  
    17315 Duplicate atom serial number found: 38310 
    17316 Duplicate atom serial number found: 38312 
    17317 Duplicate atom serial number found: 38314 
    17318 Duplicate atom serial number found: 38316 
    17319 Duplicate atom serial number found: 38318 
    17320 Ignored bad PDB record found on line 125275 
    17321 ATOM 3831a HWS SOL W5405 86.969 68.649 41.556 1.00 0.00 H 
    17322  
    17323 Ignored bad PDB record found on line 125276 
    17324 ATOM 3831c OWS SOL W5406 -45.808 69.808 54.746 1.00 0.00 O 
    17325  
    17326 Ignored bad PDB record found on line 125277 
    17327 ATOM 3831e HWS SOL W5406 -46.512 70.441 54.608 1.00 0.00 H 
    17328  
    17329 Duplicate atom serial number found: 38320 
    17330 Duplicate atom serial number found: 38322 
    17331 Duplicate atom serial number found: 38324 
    17332 Duplicate atom serial number found: 38326 
    17333 Duplicate atom serial number found: 38328 
    17334 Ignored bad PDB record found on line 125283 
    17335 ATOM 3832a HWS SOL W5408 -90.616 87.948 72.288 1.00 0.00 H 
    17336  
    17337 Ignored bad PDB record found on line 125284 
    17338 ATOM 3832c HWS SOL W5408 -89.307 87.359 71.807 1.00 0.00 H 
    17339  
    17340 Ignored bad PDB record found on line 125285 
    17341 ATOM 3832e OWS SOL W5409 -74.533 65.869 53.821 1.00 0.00 O 
    17342  
    17343 Duplicate atom serial number found: 38330 
    17344 Duplicate atom serial number found: 38332 
    17345 Ignored bad PDB record found on line 125288 
    17346 ATOM 38334 OWS SOL W540a -78.295 76.264 63.233 1.00 0.00 O 
    17347  
    17348 Ignored bad PDB record found on line 125289 
    17349 ATOM 38336 HWS SOL W540a -77.640 76.388 63.920 1.00 0.00 H 
    17350  
    17351 Ignored bad PDB record found on line 125290 
    17352 ATOM 38338 HWS SOL W540a -79.132 76.428 63.666 1.00 0.00 H 
    17353  
    17354 Ignored bad PDB record found on line 125291 
    17355 ATOM 3833a OWS SOL W540b -71.499 49.006 79.995 1.00 0.00 O 
    17356  
    17357 Ignored bad PDB record found on line 125292 
    17358 ATOM 3833c HWS SOL W540b -70.998 48.854 80.796 1.00 0.00 H 
    17359  
    17360 13 messages similar to the above omitted 
    17361 Duplicate atom serial number found: 38358 
    17362 Ignored bad PDB record found on line 125307 
    17363 ATOM 3835a HWS SOL W5410 -75.767 89.642 36.674 1.00 0.00 H 
    17364  
    17365 Ignored bad PDB record found on line 125308 
    17366 ATOM 3835c HWS SOL W5410 -76.493 88.335 36.913 1.00 0.00 H 
    17367  
    17368 Ignored bad PDB record found on line 125309 
    17369 ATOM 3835e OWS SOL W5411 70.550 75.138 34.279 1.00 0.00 O 
    17370  
    17371 Duplicate atom serial number found: 38360 
    17372 Duplicate atom serial number found: 38362 
    17373 Duplicate atom serial number found: 38364 
    17374 Duplicate atom serial number found: 38366 
    17375 Duplicate atom serial number found: 38368 
    17376 Ignored bad PDB record found on line 125315 
    17377 ATOM 3836a OWS SOL W5413 -72.604 80.048 59.223 1.00 0.00 O 
    17378  
    17379 Ignored bad PDB record found on line 125316 
    17380 ATOM 3836c HWS SOL W5413 -73.136 80.724 59.642 1.00 0.00 H 
    17381  
    17382 Ignored bad PDB record found on line 125317 
    17383 ATOM 3836e HWS SOL W5413 -71.700 80.306 59.406 1.00 0.00 H 
    17384  
    17385 Duplicate atom serial number found: 38370 
    17386 Duplicate atom serial number found: 38372 
    17387 Duplicate atom serial number found: 38374 
    17388 Duplicate atom serial number found: 38376 
    17389 Duplicate atom serial number found: 38378 
    17390 Ignored bad PDB record found on line 125323 
    17391 ATOM 3837a HWS SOL W5415 -81.196 -85.986 64.330 1.00 0.00 H 
    17392  
    17393 Ignored bad PDB record found on line 125324 
    17394 ATOM 3837c OWS SOL W5416 -76.557 76.820 33.335 1.00 0.00 O 
    17395  
    17396 Ignored bad PDB record found on line 125325 
    17397 ATOM 3837e HWS SOL W5416 -77.384 76.377 33.523 1.00 0.00 H 
    17398  
    17399 Duplicate atom serial number found: 38380 
    17400 Duplicate atom serial number found: 38382 
    17401 Duplicate atom serial number found: 38384 
    17402 Duplicate atom serial number found: 38386 
    17403 Duplicate atom serial number found: 38388 
    17404 Ignored bad PDB record found on line 125331 
    17405 ATOM 3838a HWS SOL W5418 -60.117 64.883 66.331 1.00 0.00 H 
    17406  
    17407 Ignored bad PDB record found on line 125332 
    17408 ATOM 3838c HWS SOL W5418 -58.946 64.528 65.439 1.00 0.00 H 
    17409  
    17410 Ignored bad PDB record found on line 125333 
    17411 ATOM 3838e OWS SOL W5419 -64.780 61.644 66.862 1.00 0.00 O 
    17412  
    17413 Duplicate atom serial number found: 38390 
    17414 Duplicate atom serial number found: 38392 
    17415 Ignored bad PDB record found on line 125336 
    17416 ATOM 38394 OWS SOL W541a 80.171 60.794 35.072 1.00 0.00 O 
    17417  
    17418 Ignored bad PDB record found on line 125337 
    17419 ATOM 38396 HWS SOL W541a 79.923 61.571 35.574 1.00 0.00 H 
    17420  
    17421 Ignored bad PDB record found on line 125338 
    17422 ATOM 38398 HWS SOL W541a 79.941 60.058 35.640 1.00 0.00 H 
    17423  
    17424 Ignored bad PDB record found on line 125339 
    17425 ATOM 3839a OWS SOL W541b -67.959 80.449 41.312 1.00 0.00 O 
    17426  
    17427 Ignored bad PDB record found on line 125340 
    17428 ATOM 3839c HWS SOL W541b -68.143 80.820 40.449 1.00 0.00 H 
    17429  
    17430 61 messages similar to the above omitted 
    17431 Duplicate atom serial number found: 38418 
    17432 Ignored bad PDB record found on line 125403 
    17433 ATOM 3841a HWS SOL W5430 -58.145 66.449 41.986 1.00 0.00 H 
    17434  
    17435 Ignored bad PDB record found on line 125404 
    17436 ATOM 3841c HWS SOL W5430 -59.244 67.490 41.960 1.00 0.00 H 
    17437  
    17438 Ignored bad PDB record found on line 125405 
    17439 ATOM 3841e OWS SOL W5431 -69.111 85.083 41.161 1.00 0.00 O 
    17440  
    17441 Duplicate atom serial number found: 38420 
    17442 Duplicate atom serial number found: 38422 
    17443 Duplicate atom serial number found: 38424 
    17444 Duplicate atom serial number found: 38426 
    17445 Duplicate atom serial number found: 38428 
    17446 Ignored bad PDB record found on line 125411 
    17447 ATOM 3842a OWS SOL W5433 -65.360 63.676 48.888 1.00 0.00 O 
    17448  
    17449 Ignored bad PDB record found on line 125412 
    17450 ATOM 3842c HWS SOL W5433 -64.735 63.080 48.474 1.00 0.00 H 
    17451  
    17452 Ignored bad PDB record found on line 125413 
    17453 ATOM 3842e HWS SOL W5433 -65.127 63.660 49.817 1.00 0.00 H 
    17454  
    17455 Duplicate atom serial number found: 38430 
    17456 Duplicate atom serial number found: 38432 
    17457 Duplicate atom serial number found: 38434 
    17458 Duplicate atom serial number found: 38436 
    17459 Duplicate atom serial number found: 38438 
    17460 Ignored bad PDB record found on line 125419 
    17461 ATOM 3843a HWS SOL W5435 -89.904 78.465 59.267 1.00 0.00 H 
    17462  
    17463 Ignored bad PDB record found on line 125420 
    17464 ATOM 3843c OWS SOL W5436 -76.399 77.778 69.788 1.00 0.00 O 
    17465  
    17466 Ignored bad PDB record found on line 125421 
    17467 ATOM 3843e HWS SOL W5436 -76.567 78.615 70.220 1.00 0.00 H 
    17468  
    17469 Duplicate atom serial number found: 38440 
    17470 Duplicate atom serial number found: 38442 
    17471 Duplicate atom serial number found: 38444 
    17472 Duplicate atom serial number found: 38446 
    17473 Duplicate atom serial number found: 38448 
    17474 Ignored bad PDB record found on line 125427 
    17475 ATOM 3844a HWS SOL W5438 -61.696 66.509 65.125 1.00 0.00 H 
    17476  
    17477 Ignored bad PDB record found on line 125428 
    17478 ATOM 3844c HWS SOL W5438 -61.320 65.199 64.467 1.00 0.00 H 
    17479  
    17480 Ignored bad PDB record found on line 125429 
    17481 ATOM 3844e OWS SOL W5439 -66.419 77.638 -73.417 1.00 0.00 O 
    17482  
    17483 Duplicate atom serial number found: 38450 
    17484 Duplicate atom serial number found: 38452 
    17485 Ignored bad PDB record found on line 125432 
    17486 ATOM 38454 OWS SOL W543a -66.076 69.121 76.359 1.00 0.00 O 
    17487  
    17488 Ignored bad PDB record found on line 125433 
    17489 ATOM 38456 HWS SOL W543a -65.749 69.980 76.626 1.00 0.00 H 
    17490  
    17491 Ignored bad PDB record found on line 125434 
    17492 ATOM 38458 HWS SOL W543a -66.972 69.090 76.695 1.00 0.00 H 
    17493  
    17494 Ignored bad PDB record found on line 125435 
    17495 ATOM 3845a OWS SOL W543b -82.335 71.727 -72.283 1.00 0.00 O 
    17496  
    17497 Ignored bad PDB record found on line 125436 
    17498 ATOM 3845c HWS SOL W543b -82.471 71.866 -73.220 1.00 0.00 H 
    17499  
    17500 13 messages similar to the above omitted 
    17501 Duplicate atom serial number found: 38478 
    17502 Ignored bad PDB record found on line 125451 
    17503 ATOM 3847a HWS SOL W5440 -88.722 59.111 79.638 1.00 0.00 H 
    17504  
    17505 Ignored bad PDB record found on line 125452 
    17506 ATOM 3847c HWS SOL W5440 -87.275 59.549 79.711 1.00 0.00 H 
    17507  
    17508 Ignored bad PDB record found on line 125453 
    17509 ATOM 3847e OWS SOL W5441 -78.424 73.556 67.803 1.00 0.00 O 
    17510  
    17511 Duplicate atom serial number found: 38480 
    17512 Duplicate atom serial number found: 38482 
    17513 Duplicate atom serial number found: 38484 
    17514 Duplicate atom serial number found: 38486 
    17515 Duplicate atom serial number found: 38488 
    17516 Ignored bad PDB record found on line 125459 
    17517 ATOM 3848a OWS SOL W5443 -68.402 89.367 78.940 1.00 0.00 O 
    17518  
    17519 Ignored bad PDB record found on line 125460 
    17520 ATOM 3848c HWS SOL W5443 -68.623 89.216 78.021 1.00 0.00 H 
    17521  
    17522 Ignored bad PDB record found on line 125461 
    17523 ATOM 3848e HWS SOL W5443 -69.010 88.812 79.428 1.00 0.00 H 
    17524  
    17525 Duplicate atom serial number found: 38490 
    17526 Duplicate atom serial number found: 38492 
    17527 Duplicate atom serial number found: 38494 
    17528 Duplicate atom serial number found: 38496 
    17529 Duplicate atom serial number found: 38498 
    17530 Ignored bad PDB record found on line 125467 
    17531 ATOM 3849a HWS SOL W5445 -87.529 74.545 -85.192 1.00 0.00 H 
    17532  
    17533 Ignored bad PDB record found on line 125468 
    17534 ATOM 3849c OWS SOL W5446 86.582 79.240 77.566 1.00 0.00 O 
    17535  
    17536 Ignored bad PDB record found on line 125469 
    17537 ATOM 3849e HWS SOL W5446 87.030 78.415 77.381 1.00 0.00 H 
    17538  
    17539 Ignored bad PDB record found on line 125470 
    17540 ATOM 384a0 HWS SOL W5446 85.651 79.031 77.488 1.00 0.00 H 
    17541  
    17542 Ignored bad PDB record found on line 125471 
    17543 ATOM 384a2 OWS SOL W5447 -81.420 61.917 81.131 1.00 0.00 O 
    17544  
    17545 46 messages similar to the above omitted 
    17546 Duplicate atom serial number found: 38500 
    17547 Duplicate atom serial number found: 38502 
    17548 Duplicate atom serial number found: 38504 
    17549 Duplicate atom serial number found: 38506 
    17550 Duplicate atom serial number found: 38508 
    17551 Ignored bad PDB record found on line 125523 
    17552 ATOM 3850a HWS SOL W5458 -88.761 85.842 79.085 1.00 0.00 H 
    17553  
    17554 Ignored bad PDB record found on line 125524 
    17555 ATOM 3850c HWS SOL W5458 -90.149 86.437 78.972 1.00 0.00 H 
    17556  
    17557 Ignored bad PDB record found on line 125525 
    17558 ATOM 3850e OWS SOL W5459 -77.201 77.260 61.035 1.00 0.00 O 
    17559  
    17560 Duplicate atom serial number found: 38510 
    17561 Duplicate atom serial number found: 38512 
    17562 Ignored bad PDB record found on line 125528 
    17563 ATOM 38514 OWS SOL W545a 60.445 81.331 76.088 1.00 0.00 O 
    17564  
    17565 Ignored bad PDB record found on line 125529 
    17566 ATOM 38516 HWS SOL W545a 60.200 81.551 75.189 1.00 0.00 H 
    17567  
    17568 Ignored bad PDB record found on line 125530 
    17569 ATOM 38518 HWS SOL W545a 59.640 81.453 76.592 1.00 0.00 H 
    17570  
    17571 Ignored bad PDB record found on line 125531 
    17572 ATOM 3851a OWS SOL W545b -73.784 -52.892 85.567 1.00 0.00 O 
    17573  
    17574 Ignored bad PDB record found on line 125532 
    17575 ATOM 3851c HWS SOL W545b -73.256 -53.679 85.434 1.00 0.00 H 
    17576  
    17577 13 messages similar to the above omitted 
    17578 Duplicate atom serial number found: 38538 
    17579 Ignored bad PDB record found on line 125547 
    17580 ATOM 3853a HWS SOL W5460 -74.886 73.565 67.281 1.00 0.00 H 
    17581  
    17582 Ignored bad PDB record found on line 125548 
    17583 ATOM 3853c HWS SOL W5460 -75.974 74.565 67.608 1.00 0.00 H 
    17584  
    17585 Ignored bad PDB record found on line 125549 
    17586 ATOM 3853e OWS SOL W5461 87.208 86.603 85.249 1.00 0.00 O 
    17587  
    17588 Duplicate atom serial number found: 38540 
    17589 Duplicate atom serial number found: 38542 
    17590 Duplicate atom serial number found: 38544 
    17591 Duplicate atom serial number found: 38546 
    17592 Duplicate atom serial number found: 38548 
    17593 Ignored bad PDB record found on line 125555 
    17594 ATOM 3854a OWS SOL W5463 -60.079 53.704 75.127 1.00 0.00 O 
    17595  
    17596 Ignored bad PDB record found on line 125556 
    17597 ATOM 3854c HWS SOL W5463 -61.032 53.708 75.034 1.00 0.00 H 
    17598  
    17599 Ignored bad PDB record found on line 125557 
    17600 ATOM 3854e HWS SOL W5463 -59.755 54.027 74.286 1.00 0.00 H 
    17601  
    17602 Duplicate atom serial number found: 38550 
    17603 Duplicate atom serial number found: 38552 
    17604 Duplicate atom serial number found: 38554 
    17605 Duplicate atom serial number found: 38556 
    17606 Duplicate atom serial number found: 38558 
    17607 Ignored bad PDB record found on line 125563 
    17608 ATOM 3855a HWS SOL W5465 -71.783 64.428 -88.576 1.00 0.00 H 
    17609  
    17610 Ignored bad PDB record found on line 125564 
    17611 ATOM 3855c OWS SOL W5466 -80.750 69.296 82.893 1.00 0.00 O 
    17612  
    17613 Ignored bad PDB record found on line 125565 
    17614 ATOM 3855e HWS SOL W5466 -81.145 69.032 82.062 1.00 0.00 H 
    17615  
    17616 Duplicate atom serial number found: 38560 
    17617 Duplicate atom serial number found: 38562 
    17618 Duplicate atom serial number found: 38564 
    17619 Duplicate atom serial number found: 38566 
    17620 Duplicate atom serial number found: 38568 
    17621 Ignored bad PDB record found on line 125571 
    17622 ATOM 3856a HWS SOL W5468 86.485 78.245 66.552 1.00 0.00 H 
    17623  
    17624 Ignored bad PDB record found on line 125572 
    17625 ATOM 3856c HWS SOL W5468 87.844 78.499 65.935 1.00 0.00 H 
    17626  
    17627 Ignored bad PDB record found on line 125573 
    17628 ATOM 3856e OWS SOL W5469 -82.225 80.594 85.008 1.00 0.00 O 
    17629  
    17630 Duplicate atom serial number found: 38570 
    17631 Duplicate atom serial number found: 38572 
    17632 Ignored bad PDB record found on line 125576 
    17633 ATOM 38574 OWS SOL W546a -69.343 86.666 80.277 1.00 0.00 O 
    17634  
    17635 Ignored bad PDB record found on line 125577 
    17636 ATOM 38576 HWS SOL W546a -69.960 86.218 80.857 1.00 0.00 H 
    17637  
    17638 Ignored bad PDB record found on line 125578 
    17639 ATOM 38578 HWS SOL W546a -69.194 86.047 79.562 1.00 0.00 H 
    17640  
    17641 Ignored bad PDB record found on line 125579 
    17642 ATOM 3857a OWS SOL W546b -71.354 -84.231 83.708 1.00 0.00 O 
    17643  
    17644 Ignored bad PDB record found on line 125580 
    17645 ATOM 3857c HWS SOL W546b -71.783 -84.106 82.861 1.00 0.00 H 
    17646  
    17647 13 messages similar to the above omitted 
    17648 Duplicate atom serial number found: 38598 
    17649 Ignored bad PDB record found on line 125595 
    17650 ATOM 3859a HWS SOL W5470 -84.438 61.608 81.051 1.00 0.00 H 
    17651  
    17652 Ignored bad PDB record found on line 125596 
    17653 ATOM 3859c HWS SOL W5470 -84.499 61.028 82.448 1.00 0.00 H 
    17654  
    17655 Ignored bad PDB record found on line 125597 
    17656 ATOM 3859e OWS SOL W5471 81.294 74.259 -78.275 1.00 0.00 O 
    17657  
    17658 Ignored bad PDB record found on line 125598 
    17659 ATOM 385a0 HWS SOL W5471 80.535 73.682 -78.189 1.00 0.00 H 
    17660  
    17661 Ignored bad PDB record found on line 125599 
    17662 ATOM 385a2 HWS SOL W5471 80.931 75.088 -78.586 1.00 0.00 H 
    17663  
    17664 46 messages similar to the above omitted 
    17665 Duplicate atom serial number found: 38600 
    17666 Duplicate atom serial number found: 38602 
    17667 Duplicate atom serial number found: 38604 
    17668 Duplicate atom serial number found: 38606 
    17669 Duplicate atom serial number found: 38608 
    17670 Ignored bad PDB record found on line 125651 
    17671 ATOM 3860a OWS SOL W5483 -58.834 78.962 40.549 1.00 0.00 O 
    17672  
    17673 Ignored bad PDB record found on line 125652 
    17674 ATOM 3860c HWS SOL W5483 -58.710 78.557 39.691 1.00 0.00 H 
    17675  
    17676 Ignored bad PDB record found on line 125653 
    17677 ATOM 3860e HWS SOL W5483 -59.496 78.419 40.978 1.00 0.00 H 
    17678  
    17679 Duplicate atom serial number found: 38610 
    17680 Duplicate atom serial number found: 38612 
    17681 Duplicate atom serial number found: 38614 
    17682 Duplicate atom serial number found: 38616 
    17683 Duplicate atom serial number found: 38618 
    17684 Ignored bad PDB record found on line 125659 
    17685 ATOM 3861a HWS SOL W5485 -85.768 79.775 56.990 1.00 0.00 H 
    17686  
    17687 Ignored bad PDB record found on line 125660 
    17688 ATOM 3861c OWS SOL W5486 -79.759 87.008 79.569 1.00 0.00 O 
    17689  
    17690 Ignored bad PDB record found on line 125661 
    17691 ATOM 3861e HWS SOL W5486 -79.512 87.556 80.314 1.00 0.00 H 
    17692  
    17693 Duplicate atom serial number found: 38620 
    17694 Duplicate atom serial number found: 38622 
    17695 Duplicate atom serial number found: 38624 
    17696 Duplicate atom serial number found: 38626 
    17697 Duplicate atom serial number found: 38628 
    17698 Ignored bad PDB record found on line 125667 
    17699 ATOM 3862a HWS SOL W5488 -69.766 73.548 65.952 1.00 0.00 H 
    17700  
    17701 Ignored bad PDB record found on line 125668 
    17702 ATOM 3862c HWS SOL W5488 -71.045 74.291 65.628 1.00 0.00 H 
    17703  
    17704 Ignored bad PDB record found on line 125669 
    17705 ATOM 3862e OWS SOL W5489 -65.056 64.393 75.063 1.00 0.00 O 
    17706  
    17707 Duplicate atom serial number found: 38630 
    17708 Duplicate atom serial number found: 38632 
    17709 Ignored bad PDB record found on line 125672 
    17710 ATOM 38634 OWS SOL W548a -71.981 87.959 76.858 1.00 0.00 O 
    17711  
    17712 Ignored bad PDB record found on line 125673 
    17713 ATOM 38636 HWS SOL W548a -71.105 87.585 76.962 1.00 0.00 H 
    17714  
    17715 Ignored bad PDB record found on line 125674 
    17716 ATOM 38638 HWS SOL W548a -72.168 88.370 77.702 1.00 0.00 H 
    17717  
    17718 Ignored bad PDB record found on line 125675 
    17719 ATOM 3863a OWS SOL W548b -67.540 70.202 66.958 1.00 0.00 O 
    17720  
    17721 Ignored bad PDB record found on line 125676 
    17722 ATOM 3863c HWS SOL W548b -67.084 70.178 66.116 1.00 0.00 H 
    17723  
    17724 13 messages similar to the above omitted 
    17725 Duplicate atom serial number found: 38658 
    17726 Ignored bad PDB record found on line 125691 
    17727 ATOM 3865a HWS SOL W5490 -86.054 73.727 72.776 1.00 0.00 H 
    17728  
    17729 Ignored bad PDB record found on line 125692 
    17730 ATOM 3865c HWS SOL W5490 -87.562 73.841 72.696 1.00 0.00 H 
    17731  
    17732 Ignored bad PDB record found on line 125693 
    17733 ATOM 3865e OWS SOL W5491 -72.512 79.177 87.710 1.00 0.00 O 
    17734  
    17735 Duplicate atom serial number found: 38660 
    17736 Duplicate atom serial number found: 38662 
    17737 Duplicate atom serial number found: 38664 
    17738 Duplicate atom serial number found: 38666 
    17739 Duplicate atom serial number found: 38668 
    17740 Ignored bad PDB record found on line 125699 
    17741 ATOM 3866a OWS SOL W5493 -75.163 85.357 68.307 1.00 0.00 O 
    17742  
    17743 Ignored bad PDB record found on line 125700 
    17744 ATOM 3866c HWS SOL W5493 -75.817 84.659 68.326 1.00 0.00 H 
    17745  
    17746 Ignored bad PDB record found on line 125701 
    17747 ATOM 3866e HWS SOL W5493 -74.548 85.091 67.623 1.00 0.00 H 
    17748  
    17749 Duplicate atom serial number found: 38670 
    17750 Duplicate atom serial number found: 38672 
    17751 Duplicate atom serial number found: 38674 
    17752 Duplicate atom serial number found: 38676 
    17753 Duplicate atom serial number found: 38678 
    17754 Ignored bad PDB record found on line 125707 
    17755 ATOM 3867a HWS SOL W5495 -86.519 84.317 90.314 1.00 0.00 H 
    17756  
    17757 Ignored bad PDB record found on line 125708 
    17758 ATOM 3867c OWS SOL W5496 -86.999 67.536 89.514 1.00 0.00 O 
    17759  
    17760 Ignored bad PDB record found on line 125709 
    17761 ATOM 3867e HWS SOL W5496 -87.912 67.398 89.769 1.00 0.00 H 
    17762  
    17763 Duplicate atom serial number found: 38680 
    17764 Duplicate atom serial number found: 38682 
    17765 Duplicate atom serial number found: 38684 
    17766 Duplicate atom serial number found: 38686 
    17767 Duplicate atom serial number found: 38688 
    17768 Ignored bad PDB record found on line 125715 
    17769 ATOM 3868a HWS SOL W5498 -82.033 65.883 87.755 1.00 0.00 H 
    17770  
    17771 Ignored bad PDB record found on line 125716 
    17772 ATOM 3868c HWS SOL W5498 -81.221 66.347 88.945 1.00 0.00 H 
    17773  
    17774 Ignored bad PDB record found on line 125717 
    17775 ATOM 3868e OWS SOL W5499 75.792 89.129 78.347 1.00 0.00 O 
    17776  
    17777 Duplicate atom serial number found: 38690 
    17778 Duplicate atom serial number found: 38692 
    17779 Ignored bad PDB record found on line 125720 
    17780 ATOM 38694 OWS SOL W549a -55.308 -87.761 87.776 1.00 0.00 O 
    17781  
    17782 Ignored bad PDB record found on line 125721 
    17783 ATOM 38696 HWS SOL W549a -55.464 -87.343 86.929 1.00 0.00 H 
    17784  
    17785 Ignored bad PDB record found on line 125722 
    17786 ATOM 38698 HWS SOL W549a -56.067 -87.519 88.307 1.00 0.00 H 
    17787  
    17788 Ignored bad PDB record found on line 125723 
    17789 ATOM 3869a OWS SOL W549b -78.457 -89.913 79.338 1.00 0.00 O 
    17790  
    17791 Ignored bad PDB record found on line 125724 
    17792 ATOM 3869c HWS SOL W549b -77.974 -89.245 79.824 1.00 0.00 H 
    17793  
    17794 305 messages similar to the above omitted 
    17795 Duplicate atom serial number found: 38900 
    17796 Duplicate atom serial number found: 38902 
    17797 Duplicate atom serial number found: 38904 
    17798 Duplicate atom serial number found: 38906 
    17799 Duplicate atom serial number found: 38908 
    17800 Ignored bad PDB record found on line 126035 
    17801 ATOM 3890a OWS SOL W5503 -74.624 87.209 -83.055 1.00 0.00 O 
    17802  
    17803 Ignored bad PDB record found on line 126036 
    17804 ATOM 3890c HWS SOL W5503 -73.982 86.719 -83.568 1.00 0.00 H 
    17805  
    17806 Ignored bad PDB record found on line 126037 
    17807 ATOM 3890e HWS SOL W5503 -75.208 87.594 -83.707 1.00 0.00 H 
    17808  
    17809 Duplicate atom serial number found: 38910 
    17810 Duplicate atom serial number found: 38912 
    17811 Duplicate atom serial number found: 38914 
    17812 Duplicate atom serial number found: 38916 
    17813 Duplicate atom serial number found: 38918 
    17814 Ignored bad PDB record found on line 126043 
    17815 ATOM 3891a HWS SOL W5505 -89.205 70.245 77.530 1.00 0.00 H 
    17816  
    17817 Ignored bad PDB record found on line 126044 
    17818 ATOM 3891c OWS SOL W5506 -78.541 -83.149 -87.636 1.00 0.00 O 
    17819  
    17820 Ignored bad PDB record found on line 126045 
    17821 ATOM 3891e HWS SOL W5506 -78.087 -83.745 -88.232 1.00 0.00 H 
    17822  
    17823 Duplicate atom serial number found: 38920 
    17824 Duplicate atom serial number found: 38922 
    17825 Duplicate atom serial number found: 38924 
    17826 Duplicate atom serial number found: 38926 
    17827 Duplicate atom serial number found: 38928 
    17828 Ignored bad PDB record found on line 126051 
    17829 ATOM 3892a HWS SOL W5508 -71.992 70.681 68.206 1.00 0.00 H 
    17830  
    17831 Ignored bad PDB record found on line 126052 
    17832 ATOM 3892c HWS SOL W5508 -71.950 71.585 69.420 1.00 0.00 H 
    17833  
    17834 Ignored bad PDB record found on line 126053 
    17835 ATOM 3892e OWS SOL W5509 -71.754 64.680 66.100 1.00 0.00 O 
    17836  
    17837 Duplicate atom serial number found: 38930 
    17838 Duplicate atom serial number found: 38932 
    17839 Ignored bad PDB record found on line 126056 
    17840 ATOM 38934 OWS SOL W550a 79.555 82.045 83.080 1.00 0.00 O 
    17841  
    17842 Ignored bad PDB record found on line 126057 
    17843 ATOM 38936 HWS SOL W550a 80.274 82.645 83.276 1.00 0.00 H 
    17844  
    17845 Ignored bad PDB record found on line 126058 
    17846 ATOM 38938 HWS SOL W550a 79.190 81.820 83.936 1.00 0.00 H 
    17847  
    17848 Ignored bad PDB record found on line 126059 
    17849 ATOM 3893a OWS SOL W550b -80.881 89.885 69.635 1.00 0.00 O 
    17850  
    17851 Ignored bad PDB record found on line 126060 
    17852 ATOM 3893c HWS SOL W550b -80.088 90.420 69.650 1.00 0.00 H 
    17853  
    17854 10 messages similar to the above omitted 
    17855 Duplicate atom serial number found: 38952 
    17856 Duplicate atom serial number found: 38954 
    17857 Duplicate atom serial number found: 38956 
    17858 Duplicate atom serial number found: 38958 
    17859 Ignored bad PDB record found on line 126075 
    17860 ATOM 3895a HWS SOL W5511 -76.744 83.373 77.037 1.00 0.00 H 
    17861  
    17862 Ignored bad PDB record found on line 126076 
    17863 ATOM 3895c HWS SOL W5511 -77.123 84.719 77.618 1.00 0.00 H 
    17864  
    17865 Ignored bad PDB record found on line 126077 
    17866 ATOM 3895e OWS SOL W5512 -83.523 61.218 84.224 1.00 0.00 O 
    17867  
    17868 Duplicate atom serial number found: 38960 
    17869 Duplicate atom serial number found: 38962 
    17870 Duplicate atom serial number found: 38964 
    17871 Duplicate atom serial number found: 38966 
    17872 Duplicate atom serial number found: 38968 
    17873 Ignored bad PDB record found on line 126083 
    17874 ATOM 3896a OWS SOL W5514 -79.512 82.600 87.566 1.00 0.00 O 
    17875  
    17876 Ignored bad PDB record found on line 126084 
    17877 ATOM 3896c HWS SOL W5514 -78.849 83.283 87.469 1.00 0.00 H 
    17878  
    17879 Ignored bad PDB record found on line 126085 
    17880 ATOM 3896e HWS SOL W5514 -79.924 82.541 86.704 1.00 0.00 H 
    17881  
    17882 Duplicate atom serial number found: 38970 
    17883 Duplicate atom serial number found: 38972 
    17884 Duplicate atom serial number found: 38974 
    17885 Duplicate atom serial number found: 38976 
    17886 Duplicate atom serial number found: 38978 
    17887 Ignored bad PDB record found on line 126091 
    17888 ATOM 3897a HWS SOL W5516 -65.356 72.798 66.633 1.00 0.00 H 
    17889  
    17890 Ignored bad PDB record found on line 126092 
    17891 ATOM 3897c OWS SOL W5517 -71.262 75.713 87.857 1.00 0.00 O 
    17892  
    17893 Ignored bad PDB record found on line 126093 
    17894 ATOM 3897e HWS SOL W5517 -71.191 75.649 88.810 1.00 0.00 H 
    17895  
    17896 Duplicate atom serial number found: 38980 
    17897 Duplicate atom serial number found: 38982 
    17898 Duplicate atom serial number found: 38984 
    17899 Duplicate atom serial number found: 38986 
    17900 Duplicate atom serial number found: 38988 
    17901 Ignored bad PDB record found on line 126099 
    17902 ATOM 3898a HWS SOL W5519 -70.571 77.488 62.403 1.00 0.00 H 
    17903  
    17904 Ignored bad PDB record found on line 126100 
    17905 ATOM 3898c HWS SOL W5519 -70.078 78.395 61.296 1.00 0.00 H 
    17906  
    17907 Ignored bad PDB record found on line 126101 
    17908 ATOM 3898e OWS SOL W551a -64.340 69.627 62.232 1.00 0.00 O 
    17909  
    17910 Ignored bad PDB record found on line 126102 
    17911 ATOM 38990 HWS SOL W551a -64.596 69.300 63.095 1.00 0.00 H 
    17912  
    17913 Ignored bad PDB record found on line 126103 
    17914 ATOM 38992 HWS SOL W551a -64.206 70.566 62.362 1.00 0.00 H 
    17915  
    17916 825 messages similar to the above omitted 
    17917 Duplicate atom serial number found: 39006 
    17918 Duplicate atom serial number found: 39008 
    17919 Ignored bad PDB record found on line 126931 
    17920 ATOM 3900a HWS SOL W5630 -25.479 -62.381 -77.032 1.00 0.00 H 
    17921  
    17922 Ignored bad PDB record found on line 126932 
    17923 ATOM 3900c OWS SOL W5631 -75.436 -67.843 -89.030 1.00 0.00 O 
    17924  
    17925 Ignored bad PDB record found on line 126933 
    17926 ATOM 3900e HWS SOL W5631 -75.076 -68.272 -88.254 1.00 0.00 H 
    17927  
    17928 Duplicate atom serial number found: 39010 
    17929 Duplicate atom serial number found: 39012 
    17930 Duplicate atom serial number found: 39014 
    17931 Duplicate atom serial number found: 39016 
    17932 Duplicate atom serial number found: 39018 
    17933 Ignored bad PDB record found on line 126939 
    17934 ATOM 3901a HWS SOL W5633 -46.825 -74.348 -87.377 1.00 0.00 H 
    17935  
    17936 Ignored bad PDB record found on line 126940 
    17937 ATOM 3901c HWS SOL W5633 -47.033 -75.127 -88.658 1.00 0.00 H 
    17938  
    17939 Ignored bad PDB record found on line 126941 
    17940 ATOM 3901e OWS SOL W5634 -63.887 -79.993 -87.642 1.00 0.00 O 
    17941  
    17942 Duplicate atom serial number found: 39020 
    17943 Duplicate atom serial number found: 39022 
    17944 Duplicate atom serial number found: 39024 
    17945 Duplicate atom serial number found: 39026 
    17946 Duplicate atom serial number found: 39028 
    17947 Ignored bad PDB record found on line 126947 
    17948 ATOM 3902a OWS SOL W5636 -47.868 82.560 -82.481 1.00 0.00 O 
    17949  
    17950 Ignored bad PDB record found on line 126948 
    17951 ATOM 3902c HWS SOL W5636 -48.085 82.366 -83.393 1.00 0.00 H 
    17952  
    17953 Ignored bad PDB record found on line 126949 
    17954 ATOM 3902e HWS SOL W5636 -48.394 83.331 -82.269 1.00 0.00 H 
    17955  
    17956 Duplicate atom serial number found: 39030 
    17957 Duplicate atom serial number found: 39032 
    17958 Duplicate atom serial number found: 39034 
    17959 Duplicate atom serial number found: 39036 
    17960 Duplicate atom serial number found: 39038 
    17961 Ignored bad PDB record found on line 126955 
    17962 ATOM 3903a HWS SOL W5638 -57.369 -80.481 88.968 1.00 0.00 H 
    17963  
    17964 Ignored bad PDB record found on line 126956 
    17965 ATOM 3903c OWS SOL W5639 -67.717 -81.311 -79.920 1.00 0.00 O 
    17966  
    17967 Ignored bad PDB record found on line 126957 
    17968 ATOM 3903e HWS SOL W5639 -67.896 -80.512 -79.424 1.00 0.00 H 
    17969  
    17970 Duplicate atom serial number found: 39040 
    17971 Ignored bad PDB record found on line 126959 
    17972 ATOM 39042 OWS SOL W563a -58.506 -66.131 -81.685 1.00 0.00 O 
    17973  
    17974 Ignored bad PDB record found on line 126960 
    17975 ATOM 39044 HWS SOL W563a -58.472 -66.788 -82.381 1.00 0.00 H 
    17976  
    17977 Ignored bad PDB record found on line 126961 
    17978 ATOM 39046 HWS SOL W563a -59.252 -65.577 -81.914 1.00 0.00 H 
    17979  
    17980 Ignored bad PDB record found on line 126962 
    17981 ATOM 39048 OWS SOL W563b -61.463 84.566 80.526 1.00 0.00 O 
    17982  
    17983 Ignored bad PDB record found on line 126963 
    17984 ATOM 3904a HWS SOL W563b -60.915 84.586 79.741 1.00 0.00 H 
    17985  
    17986 13 messages similar to the above omitted 
    17987 Duplicate atom serial number found: 39066 
    17988 Duplicate atom serial number found: 39068 
    17989 Ignored bad PDB record found on line 126979 
    17990 ATOM 3906a HWS SOL W5640 -69.846 -77.946 -82.331 1.00 0.00 H 
    17991  
    17992 Ignored bad PDB record found on line 126980 
    17993 ATOM 3906c OWS SOL W5641 -41.193 -82.138 -66.452 1.00 0.00 O 
    17994  
    17995 Ignored bad PDB record found on line 126981 
    17996 ATOM 3906e HWS SOL W5641 -41.413 -82.645 -65.670 1.00 0.00 H 
    17997  
    17998 Duplicate atom serial number found: 39070 
    17999 Duplicate atom serial number found: 39072 
    18000 Duplicate atom serial number found: 39074 
    18001 Duplicate atom serial number found: 39076 
    18002 Duplicate atom serial number found: 39078 
    18003 Ignored bad PDB record found on line 126987 
    18004 ATOM 3907a HWS SOL W5643 -61.820 -87.476 87.811 1.00 0.00 H 
    18005  
    18006 Ignored bad PDB record found on line 126988 
    18007 ATOM 3907c HWS SOL W5643 -62.142 -88.222 89.089 1.00 0.00 H 
    18008  
    18009 Ignored bad PDB record found on line 126989 
    18010 ATOM 3907e OWS SOL W5644 -60.481 -82.237 -75.362 1.00 0.00 O 
    18011  
    18012 Duplicate atom serial number found: 39080 
    18013 Duplicate atom serial number found: 39082 
    18014 Duplicate atom serial number found: 39084 
    18015 Duplicate atom serial number found: 39086 
    18016 Duplicate atom serial number found: 39088 
    18017 Ignored bad PDB record found on line 126995 
    18018 ATOM 3908a OWS SOL W5646 -38.090 84.559 82.806 1.00 0.00 O 
    18019  
    18020 Ignored bad PDB record found on line 126996 
    18021 ATOM 3908c HWS SOL W5646 -38.728 85.231 83.044 1.00 0.00 H 
    18022  
    18023 Ignored bad PDB record found on line 126997 
    18024 ATOM 3908e HWS SOL W5646 -37.351 85.047 82.442 1.00 0.00 H 
    18025  
    18026 Duplicate atom serial number found: 39090 
    18027 Duplicate atom serial number found: 39092 
    18028 Duplicate atom serial number found: 39094 
    18029 Duplicate atom serial number found: 39096 
    18030 Duplicate atom serial number found: 39098 
    18031 Ignored bad PDB record found on line 127003 
    18032 ATOM 3909a HWS SOL W5648 -63.282 -88.450 -83.580 1.00 0.00 H 
    18033  
    18034 Ignored bad PDB record found on line 127004 
    18035 ATOM 3909c OWS SOL W5649 -55.295 -75.615 -79.806 1.00 0.00 O 
    18036  
    18037 Ignored bad PDB record found on line 127005 
    18038 ATOM 3909e HWS SOL W5649 -54.551 -75.827 -79.241 1.00 0.00 H 
    18039  
    18040 Ignored bad PDB record found on line 127006 
    18041 ATOM 390a0 HWS SOL W5649 -54.941 -75.655 -80.694 1.00 0.00 H 
    18042  
    18043 Ignored bad PDB record found on line 127007 
    18044 ATOM 390a2 OWS SOL W564a -64.154 -82.922 -58.210 1.00 0.00 O 
    18045  
    18046 62 messages similar to the above omitted 
    18047 Duplicate atom serial number found: 39120 
    18048 Duplicate atom serial number found: 39122 
    18049 Duplicate atom serial number found: 39124 
    18050 Duplicate atom serial number found: 39126 
    18051 Duplicate atom serial number found: 39128 
    18052 Ignored bad PDB record found on line 127075 
    18053 ATOM 3912a HWS SOL W5661 -45.164 86.469 -70.461 1.00 0.00 H 
    18054  
    18055 Ignored bad PDB record found on line 127076 
    18056 ATOM 3912c OWS SOL W5662 -54.210 -81.873 -40.796 1.00 0.00 O 
    18057  
    18058 Ignored bad PDB record found on line 127077 
    18059 ATOM 3912e HWS SOL W5662 -53.580 -81.190 -40.568 1.00 0.00 H 
    18060  
    18061 Duplicate atom serial number found: 39130 
    18062 Duplicate atom serial number found: 39132 
    18063 Duplicate atom serial number found: 39134 
    18064 Duplicate atom serial number found: 39136 
    18065 Duplicate atom serial number found: 39138 
    18066 Ignored bad PDB record found on line 127083 
    18067 ATOM 3913a HWS SOL W5664 -49.472 -88.135 81.212 1.00 0.00 H 
    18068  
    18069 Ignored bad PDB record found on line 127084 
    18070 ATOM 3913c HWS SOL W5664 -49.270 -86.752 80.630 1.00 0.00 H 
    18071  
    18072 Ignored bad PDB record found on line 127085 
    18073 ATOM 3913e OWS SOL W5665 -68.411 88.184 82.345 1.00 0.00 O 
    18074  
    18075 Duplicate atom serial number found: 39140 
    18076 Duplicate atom serial number found: 39142 
    18077 Duplicate atom serial number found: 39144 
    18078 Duplicate atom serial number found: 39146 
    18079 Duplicate atom serial number found: 39148 
    18080 Ignored bad PDB record found on line 127091 
    18081 ATOM 3914a OWS SOL W5667 -33.186 -70.776 89.293 1.00 0.00 O 
    18082  
    18083 Ignored bad PDB record found on line 127092 
    18084 ATOM 3914c HWS SOL W5667 -33.111 -71.671 89.625 1.00 0.00 H 
    18085  
    18086 Ignored bad PDB record found on line 127093 
    18087 ATOM 3914e HWS SOL W5667 -33.041 -70.223 90.061 1.00 0.00 H 
    18088  
    18089 Duplicate atom serial number found: 39150 
    18090 Duplicate atom serial number found: 39152 
    18091 Duplicate atom serial number found: 39154 
    18092 Duplicate atom serial number found: 39156 
    18093 Duplicate atom serial number found: 39158 
    18094 Ignored bad PDB record found on line 127099 
    18095 ATOM 3915a HWS SOL W5669 -73.353 72.532 -87.428 1.00 0.00 H 
    18096  
    18097 Ignored bad PDB record found on line 127100 
    18098 ATOM 3915c OWS SOL W566a -55.009 -54.924 80.053 1.00 0.00 O 
    18099  
    18100 Ignored bad PDB record found on line 127101 
    18101 ATOM 3915e HWS SOL W566a -55.402 -55.624 79.531 1.00 0.00 H 
    18102  
    18103 Ignored bad PDB record found on line 127102 
    18104 ATOM 39160 HWS SOL W566a -55.738 -54.335 80.252 1.00 0.00 H 
    18105  
    18106 Ignored bad PDB record found on line 127103 
    18107 ATOM 39162 OWS SOL W566b -45.526 81.006 82.653 1.00 0.00 O 
    18108  
    18109 14 messages similar to the above omitted 
    18110 Duplicate atom serial number found: 39180 
    18111 Duplicate atom serial number found: 39182 
    18112 Duplicate atom serial number found: 39184 
    18113 Duplicate atom serial number found: 39186 
    18114 Duplicate atom serial number found: 39188 
    18115 Ignored bad PDB record found on line 127123 
    18116 ATOM 3918a HWS SOL W5671 -56.759 -73.833 77.486 1.00 0.00 H 
    18117  
    18118 Ignored bad PDB record found on line 127124 
    18119 ATOM 3918c OWS SOL W5672 -66.432 -78.122 -83.951 1.00 0.00 O 
    18120  
    18121 Ignored bad PDB record found on line 127125 
    18122 ATOM 3918e HWS SOL W5672 -65.509 -78.223 -84.185 1.00 0.00 H 
    18123  
    18124 Duplicate atom serial number found: 39190 
    18125 Duplicate atom serial number found: 39192 
    18126 Duplicate atom serial number found: 39194 
    18127 Duplicate atom serial number found: 39196 
    18128 Duplicate atom serial number found: 39198 
    18129 Ignored bad PDB record found on line 127131 
    18130 ATOM 3919a HWS SOL W5674 -52.459 -76.554 -66.700 1.00 0.00 H 
    18131  
    18132 Ignored bad PDB record found on line 127132 
    18133 ATOM 3919c HWS SOL W5674 -51.454 -75.455 -66.976 1.00 0.00 H 
    18134  
    18135 Ignored bad PDB record found on line 127133 
    18136 ATOM 3919e OWS SOL W5675 -54.624 -87.989 -86.487 1.00 0.00 O 
    18137  
    18138 Ignored bad PDB record found on line 127134 
    18139 ATOM 391a0 HWS SOL W5675 -54.628 -87.043 -86.633 1.00 0.00 H 
    18140  
    18141 Ignored bad PDB record found on line 127135 
    18142 ATOM 391a2 HWS SOL W5675 -54.434 -88.087 -85.553 1.00 0.00 H 
    18143  
    18144 46 messages similar to the above omitted 
    18145 Duplicate atom serial number found: 39200 
    18146 Duplicate atom serial number found: 39202 
    18147 Duplicate atom serial number found: 39204 
    18148 Duplicate atom serial number found: 39206 
    18149 Duplicate atom serial number found: 39208 
    18150 Ignored bad PDB record found on line 127187 
    18151 ATOM 3920a OWS SOL W5687 -55.772 -78.555 -88.416 1.00 0.00 O 
    18152  
    18153 Ignored bad PDB record found on line 127188 
    18154 ATOM 3920c HWS SOL W5687 -55.338 -79.406 -88.353 1.00 0.00 H 
    18155  
    18156 Ignored bad PDB record found on line 127189 
    18157 ATOM 3920e HWS SOL W5687 -56.388 -78.652 -89.142 1.00 0.00 H 
    18158  
    18159 Duplicate atom serial number found: 39210 
    18160 Duplicate atom serial number found: 39212 
    18161 Duplicate atom serial number found: 39214 
    18162 Duplicate atom serial number found: 39216 
    18163 Duplicate atom serial number found: 39218 
    18164 Ignored bad PDB record found on line 127195 
    18165 ATOM 3921a HWS SOL W5689 -46.235 -86.008 79.814 1.00 0.00 H 
    18166  
    18167 Ignored bad PDB record found on line 127196 
    18168 ATOM 3921c OWS SOL W568a -59.833 -71.877 76.709 1.00 0.00 O 
    18169  
    18170 Ignored bad PDB record found on line 127197 
    18171 ATOM 3921e HWS SOL W568a -60.553 -71.897 77.339 1.00 0.00 H 
    18172  
    18173 Ignored bad PDB record found on line 127198 
    18174 ATOM 39220 HWS SOL W568a -59.778 -72.774 76.379 1.00 0.00 H 
    18175  
    18176 Ignored bad PDB record found on line 127199 
    18177 ATOM 39222 OWS SOL W568b -59.473 -72.756 87.415 1.00 0.00 O 
    18178  
    18179 14 messages similar to the above omitted 
    18180 Duplicate atom serial number found: 39240 
    18181 Duplicate atom serial number found: 39242 
    18182 Duplicate atom serial number found: 39244 
    18183 Duplicate atom serial number found: 39246 
    18184 Duplicate atom serial number found: 39248 
    18185 Ignored bad PDB record found on line 127219 
    18186 ATOM 3924a HWS SOL W5691 -52.363 -75.915 -81.253 1.00 0.00 H 
    18187  
    18188 Ignored bad PDB record found on line 127220 
    18189 ATOM 3924c OWS SOL W5692 -55.811 -61.391 89.189 1.00 0.00 O 
    18190  
    18191 Ignored bad PDB record found on line 127221 
    18192 ATOM 3924e HWS SOL W5692 -55.556 -60.628 88.670 1.00 0.00 H 
    18193  
    18194 Duplicate atom serial number found: 39250 
    18195 Duplicate atom serial number found: 39252 
    18196 Duplicate atom serial number found: 39254 
    18197 Duplicate atom serial number found: 39256 
    18198 Duplicate atom serial number found: 39258 
    18199 Ignored bad PDB record found on line 127227 
    18200 ATOM 3925a HWS SOL W5694 -50.945 -88.268 83.636 1.00 0.00 H 
    18201  
    18202 Ignored bad PDB record found on line 127228 
    18203 ATOM 3925c HWS SOL W5694 -49.633 -88.397 84.382 1.00 0.00 H 
    18204  
    18205 Ignored bad PDB record found on line 127229 
    18206 ATOM 3925e OWS SOL W5695 -56.772 -84.361 -72.314 1.00 0.00 O 
    18207  
    18208 Duplicate atom serial number found: 39260 
    18209 Duplicate atom serial number found: 39262 
    18210 Duplicate atom serial number found: 39264 
    18211 Duplicate atom serial number found: 39266 
    18212 Duplicate atom serial number found: 39268 
    18213 Ignored bad PDB record found on line 127235 
    18214 ATOM 3926a OWS SOL W5697 -60.579 -61.892 -83.636 1.00 0.00 O 
    18215  
    18216 Ignored bad PDB record found on line 127236 
    18217 ATOM 3926c HWS SOL W5697 -61.235 -61.205 -83.515 1.00 0.00 H 
    18218  
    18219 Ignored bad PDB record found on line 127237 
    18220 ATOM 3926e HWS SOL W5697 -60.102 -61.917 -82.807 1.00 0.00 H 
    18221  
    18222 Duplicate atom serial number found: 39270 
    18223 Duplicate atom serial number found: 39272 
    18224 Duplicate atom serial number found: 39274 
    18225 Duplicate atom serial number found: 39276 
    18226 Duplicate atom serial number found: 39278 
    18227 Ignored bad PDB record found on line 127243 
    18228 ATOM 3927a HWS SOL W5699 -72.043 73.738 -89.095 1.00 0.00 H 
    18229  
    18230 Ignored bad PDB record found on line 127244 
    18231 ATOM 3927c OWS SOL W569a -63.935 79.685 -79.283 1.00 0.00 O 
    18232  
    18233 Ignored bad PDB record found on line 127245 
    18234 ATOM 3927e HWS SOL W569a -63.562 80.525 -79.548 1.00 0.00 H 
    18235  
    18236 Ignored bad PDB record found on line 127246 
    18237 ATOM 39280 HWS SOL W569a -63.701 79.084 -79.990 1.00 0.00 H 
    18238  
    18239 Ignored bad PDB record found on line 127247 
    18240 ATOM 39282 OWS SOL W569b -55.100 -79.584 -67.625 1.00 0.00 O 
    18241  
    18242 318 messages similar to the above omitted 
    18243 Duplicate atom serial number found: 39500 
    18244 Duplicate atom serial number found: 39502 
    18245 Duplicate atom serial number found: 39504 
    18246 Duplicate atom serial number found: 39506 
    18247 Duplicate atom serial number found: 39508 
    18248 Ignored bad PDB record found on line 127571 
    18249 ATOM 3950a OWS SOL W5709 -72.076 78.764 -68.581 1.00 0.00 O 
    18250  
    18251 Ignored bad PDB record found on line 127572 
    18252 ATOM 3950c HWS SOL W5709 -71.225 78.379 -68.788 1.00 0.00 H 
    18253  
    18254 Ignored bad PDB record found on line 127573 
    18255 ATOM 3950e HWS SOL W5709 -71.887 79.417 -67.908 1.00 0.00 H 
    18256  
    18257 Ignored bad PDB record found on line 127574 
    18258 ATOM 39510 OWS SOL W570a -71.234 -85.852 -46.126 1.00 0.00 O 
    18259  
    18260 Ignored bad PDB record found on line 127575 
    18261 ATOM 39512 HWS SOL W570a -71.788 -85.179 -46.521 1.00 0.00 H 
    18262  
    18263 16 messages similar to the above omitted 
    18264 Duplicate atom serial number found: 39534 
    18265 Duplicate atom serial number found: 39536 
    18266 Duplicate atom serial number found: 39538 
    18267 Ignored bad PDB record found on line 127595 
    18268 ATOM 3953a OWS SOL W5711 -59.122 -89.656 -61.361 1.00 0.00 O 
    18269  
    18270 Ignored bad PDB record found on line 127596 
    18271 ATOM 3953c HWS SOL W5711 -59.106 -88.879 -60.801 1.00 0.00 H 
    18272  
    18273 Ignored bad PDB record found on line 127597 
    18274 ATOM 3953e HWS SOL W5711 -58.289 -89.629 -61.831 1.00 0.00 H 
    18275  
    18276 Duplicate atom serial number found: 39540 
    18277 Duplicate atom serial number found: 39542 
    18278 Duplicate atom serial number found: 39544 
    18279 Duplicate atom serial number found: 39546 
    18280 Duplicate atom serial number found: 39548 
    18281 Ignored bad PDB record found on line 127603 
    18282 ATOM 3954a HWS SOL W5713 -37.296 -75.857 -49.510 1.00 0.00 H 
    18283  
    18284 Ignored bad PDB record found on line 127604 
    18285 ATOM 3954c OWS SOL W5714 -80.428 74.524 -43.041 1.00 0.00 O 
    18286  
    18287 Ignored bad PDB record found on line 127605 
    18288 ATOM 3954e HWS SOL W5714 -79.530 74.716 -43.311 1.00 0.00 H 
    18289  
    18290 Duplicate atom serial number found: 39550 
    18291 Duplicate atom serial number found: 39552 
    18292 Duplicate atom serial number found: 39554 
    18293 Duplicate atom serial number found: 39556 
    18294 Duplicate atom serial number found: 39558 
    18295 Ignored bad PDB record found on line 127611 
    18296 ATOM 3955a HWS SOL W5716 -61.694 -66.872 -69.653 1.00 0.00 H 
    18297  
    18298 Ignored bad PDB record found on line 127612 
    18299 ATOM 3955c HWS SOL W5716 -61.971 -68.241 -69.070 1.00 0.00 H 
    18300  
    18301 Ignored bad PDB record found on line 127613 
    18302 ATOM 3955e OWS SOL W5717 -62.565 -74.293 -37.757 1.00 0.00 O 
    18303  
    18304 Duplicate atom serial number found: 39560 
    18305 Duplicate atom serial number found: 39562 
    18306 Duplicate atom serial number found: 39564 
    18307 Duplicate atom serial number found: 39566 
    18308 Duplicate atom serial number found: 39568 
    18309 Ignored bad PDB record found on line 127619 
    18310 ATOM 3956a OWS SOL W5719 -70.695 -77.827 -47.998 1.00 0.00 O 
    18311  
    18312 Ignored bad PDB record found on line 127620 
    18313 ATOM 3956c HWS SOL W5719 -70.238 -77.612 -48.811 1.00 0.00 H 
    18314  
    18315 Ignored bad PDB record found on line 127621 
    18316 ATOM 3956e HWS SOL W5719 -71.611 -77.926 -48.257 1.00 0.00 H 
    18317  
    18318 Ignored bad PDB record found on line 127622 
    18319 ATOM 39570 OWS SOL W571a -49.028 -84.870 -63.804 1.00 0.00 O 
    18320  
    18321 Ignored bad PDB record found on line 127623 
    18322 ATOM 39572 HWS SOL W571a -49.379 -85.364 -64.546 1.00 0.00 H 
    18323  
    18324 16 messages similar to the above omitted 
    18325 Duplicate atom serial number found: 39594 
    18326 Duplicate atom serial number found: 39596 
    18327 Duplicate atom serial number found: 39598 
    18328 Ignored bad PDB record found on line 127643 
    18329 ATOM 3959a OWS SOL W5721 -52.499 -88.672 -49.130 1.00 0.00 O 
    18330  
    18331 Ignored bad PDB record found on line 127644 
    18332 ATOM 3959c HWS SOL W5721 -52.541 -88.219 -48.288 1.00 0.00 H 
    18333  
    18334 Ignored bad PDB record found on line 127645 
    18335 ATOM 3959e HWS SOL W5721 -52.348 -89.589 -48.902 1.00 0.00 H 
    18336  
    18337 Ignored bad PDB record found on line 127646 
    18338 ATOM 395a0 OWS SOL W5722 -54.371 -60.687 -77.955 1.00 0.00 O 
    18339  
    18340 Ignored bad PDB record found on line 127647 
    18341 ATOM 395a2 HWS SOL W5722 -54.617 -60.058 -78.633 1.00 0.00 H 
    18342  
    18343 46 messages similar to the above omitted 
    18344 Duplicate atom serial number found: 39600 
    18345 Duplicate atom serial number found: 39602 
    18346 Duplicate atom serial number found: 39604 
    18347 Duplicate atom serial number found: 39606 
    18348 Duplicate atom serial number found: 39608 
    18349 Ignored bad PDB record found on line 127699 
    18350 ATOM 3960a HWS SOL W5733 -53.672 -86.849 -62.835 1.00 0.00 H 
    18351  
    18352 Ignored bad PDB record found on line 127700 
    18353 ATOM 3960c OWS SOL W5734 -66.323 -79.222 -67.893 1.00 0.00 O 
    18354  
    18355 Ignored bad PDB record found on line 127701 
    18356 ATOM 3960e HWS SOL W5734 -66.752 -79.597 -67.124 1.00 0.00 H 
    18357  
    18358 Duplicate atom serial number found: 39610 
    18359 Duplicate atom serial number found: 39612 
    18360 Duplicate atom serial number found: 39614 
    18361 Duplicate atom serial number found: 39616 
    18362 Duplicate atom serial number found: 39618 
    18363 Ignored bad PDB record found on line 127707 
    18364 ATOM 3961a HWS SOL W5736 -37.253 89.862 -45.362 1.00 0.00 H 
    18365  
    18366 Ignored bad PDB record found on line 127708 
    18367 ATOM 3961c HWS SOL W5736 -35.853 89.300 -45.230 1.00 0.00 H 
    18368  
    18369 Ignored bad PDB record found on line 127709 
    18370 ATOM 3961e OWS SOL W5737 -73.518 -80.863 -63.369 1.00 0.00 O 
    18371  
    18372 Duplicate atom serial number found: 39620 
    18373 Duplicate atom serial number found: 39622 
    18374 Duplicate atom serial number found: 39624 
    18375 Duplicate atom serial number found: 39626 
    18376 Duplicate atom serial number found: 39628 
    18377 Ignored bad PDB record found on line 127715 
    18378 ATOM 3962a OWS SOL W5739 -71.615 -85.836 -68.343 1.00 0.00 O 
    18379  
    18380 Ignored bad PDB record found on line 127716 
    18381 ATOM 3962c HWS SOL W5739 -72.469 -86.240 -68.189 1.00 0.00 H 
    18382  
    18383 Ignored bad PDB record found on line 127717 
    18384 ATOM 3962e HWS SOL W5739 -71.017 -86.574 -68.457 1.00 0.00 H 
    18385  
    18386 Ignored bad PDB record found on line 127718 
    18387 ATOM 39630 OWS SOL W573a -52.117 75.762 -68.038 1.00 0.00 O 
    18388  
    18389 Ignored bad PDB record found on line 127719 
    18390 ATOM 39632 HWS SOL W573a -51.768 75.787 -68.929 1.00 0.00 H 
    18391  
    18392 16 messages similar to the above omitted 
    18393 Duplicate atom serial number found: 39654 
    18394 Duplicate atom serial number found: 39656 
    18395 Duplicate atom serial number found: 39658 
    18396 Ignored bad PDB record found on line 127739 
    18397 ATOM 3965a OWS SOL W5741 -50.978 -62.966 -66.646 1.00 0.00 O 
    18398  
    18399 Ignored bad PDB record found on line 127740 
    18400 ATOM 3965c HWS SOL W5741 -51.264 -62.587 -65.815 1.00 0.00 H 
    18401  
    18402 Ignored bad PDB record found on line 127741 
    18403 ATOM 3965e HWS SOL W5741 -50.305 -62.364 -66.965 1.00 0.00 H 
    18404  
    18405 Duplicate atom serial number found: 39660 
    18406 Duplicate atom serial number found: 39662 
    18407 Duplicate atom serial number found: 39664 
    18408 Duplicate atom serial number found: 39666 
    18409 Duplicate atom serial number found: 39668 
    18410 Ignored bad PDB record found on line 127747 
    18411 ATOM 3966a HWS SOL W5743 -39.328 84.378 -60.181 1.00 0.00 H 
    18412  
    18413 Ignored bad PDB record found on line 127748 
    18414 ATOM 3966c OWS SOL W5744 -42.818 -56.778 -37.103 1.00 0.00 O 
    18415  
    18416 Ignored bad PDB record found on line 127749 
    18417 ATOM 3966e HWS SOL W5744 -42.194 -56.560 -37.795 1.00 0.00 H 
    18418  
    18419 Duplicate atom serial number found: 39670 
    18420 Duplicate atom serial number found: 39672 
    18421 Duplicate atom serial number found: 39674 
    18422 Duplicate atom serial number found: 39676 
    18423 Duplicate atom serial number found: 39678 
    18424 Ignored bad PDB record found on line 127755 
    18425 ATOM 3967a HWS SOL W5746 -42.100 -85.943 -81.312 1.00 0.00 H 
    18426  
    18427 Ignored bad PDB record found on line 127756 
    18428 ATOM 3967c HWS SOL W5746 -40.804 -86.708 -81.482 1.00 0.00 H 
    18429  
    18430 Ignored bad PDB record found on line 127757 
    18431 ATOM 3967e OWS SOL W5747 -40.042 -76.803 -40.973 1.00 0.00 O 
    18432  
    18433 Duplicate atom serial number found: 39680 
    18434 Duplicate atom serial number found: 39682 
    18435 Duplicate atom serial number found: 39684 
    18436 Duplicate atom serial number found: 39686 
    18437 Duplicate atom serial number found: 39688 
    18438 Ignored bad PDB record found on line 127763 
    18439 ATOM 3968a OWS SOL W5749 -69.886 -59.592 -77.406 1.00 0.00 O 
    18440  
    18441 Ignored bad PDB record found on line 127764 
    18442 ATOM 3968c HWS SOL W5749 -69.170 -60.158 -77.696 1.00 0.00 H 
    18443  
    18444 Ignored bad PDB record found on line 127765 
    18445 ATOM 3968e HWS SOL W5749 -70.343 -60.106 -76.740 1.00 0.00 H 
    18446  
    18447 Ignored bad PDB record found on line 127766 
    18448 ATOM 39690 OWS SOL W574a -42.019 -87.654 -48.578 1.00 0.00 O 
    18449  
    18450 Ignored bad PDB record found on line 127767 
    18451 ATOM 39692 HWS SOL W574a -41.433 -87.167 -47.998 1.00 0.00 H 
    18452  
    18453 64 messages similar to the above omitted 
    18454 Duplicate atom serial number found: 39714 
    18455 Duplicate atom serial number found: 39716 
    18456 Duplicate atom serial number found: 39718 
    18457 Ignored bad PDB record found on line 127835 
    18458 ATOM 3971a OWS SOL W5761 -70.459 -79.074 -27.692 1.00 0.00 O 
    18459  
    18460 Ignored bad PDB record found on line 127836 
    18461 ATOM 3971c HWS SOL W5761 -69.969 -79.673 -28.255 1.00 0.00 H 
    18462  
    18463 Ignored bad PDB record found on line 127837 
    18464 ATOM 3971e HWS SOL W5761 -70.566 -79.552 -26.869 1.00 0.00 H 
    18465  
    18466 Duplicate atom serial number found: 39720 
    18467 Duplicate atom serial number found: 39722 
    18468 Duplicate atom serial number found: 39724 
    18469 Duplicate atom serial number found: 39726 
    18470 Duplicate atom serial number found: 39728 
    18471 Ignored bad PDB record found on line 127843 
    18472 ATOM 3972a HWS SOL W5763 -82.714 68.946 -60.090 1.00 0.00 H 
    18473  
    18474 Ignored bad PDB record found on line 127844 
    18475 ATOM 3972c OWS SOL W5764 -48.777 -60.533 -52.125 1.00 0.00 O 
    18476  
    18477 Ignored bad PDB record found on line 127845 
    18478 ATOM 3972e HWS SOL W5764 -49.332 -59.896 -51.674 1.00 0.00 H 
    18479  
    18480 Duplicate atom serial number found: 39730 
    18481 Duplicate atom serial number found: 39732 
    18482 Duplicate atom serial number found: 39734 
    18483 Duplicate atom serial number found: 39736 
    18484 Duplicate atom serial number found: 39738 
    18485 Ignored bad PDB record found on line 127851 
    18486 ATOM 3973a HWS SOL W5766 -67.132 83.846 -77.188 1.00 0.00 H 
    18487  
    18488 Ignored bad PDB record found on line 127852 
    18489 ATOM 3973c HWS SOL W5766 -68.575 84.019 -76.763 1.00 0.00 H 
    18490  
    18491 Ignored bad PDB record found on line 127853 
    18492 ATOM 3973e OWS SOL W5767 -50.412 -82.710 -56.532 1.00 0.00 O 
    18493  
    18494 Duplicate atom serial number found: 39740 
    18495 Duplicate atom serial number found: 39742 
    18496 Duplicate atom serial number found: 39744 
    18497 Duplicate atom serial number found: 39746 
    18498 Duplicate atom serial number found: 39748 
    18499 Ignored bad PDB record found on line 127859 
    18500 ATOM 3974a OWS SOL W5769 -52.223 -67.290 -47.174 1.00 0.00 O 
    18501  
    18502 Ignored bad PDB record found on line 127860 
    18503 ATOM 3974c HWS SOL W5769 -52.741 -67.563 -46.417 1.00 0.00 H 
    18504  
    18505 Ignored bad PDB record found on line 127861 
    18506 ATOM 3974e HWS SOL W5769 -51.855 -68.104 -47.519 1.00 0.00 H 
    18507  
    18508 Ignored bad PDB record found on line 127862 
    18509 ATOM 39750 OWS SOL W576a -29.619 -81.964 -35.381 1.00 0.00 O 
    18510  
    18511 Ignored bad PDB record found on line 127863 
    18512 ATOM 39752 HWS SOL W576a -30.216 -81.911 -36.127 1.00 0.00 H 
    18513  
    18514 16 messages similar to the above omitted 
    18515 Duplicate atom serial number found: 39774 
    18516 Duplicate atom serial number found: 39776 
    18517 Duplicate atom serial number found: 39778 
    18518 Ignored bad PDB record found on line 127883 
    18519 ATOM 3977a OWS SOL W5771 -66.124 -72.819 -30.114 1.00 0.00 O 
    18520  
    18521 Ignored bad PDB record found on line 127884 
    18522 ATOM 3977c HWS SOL W5771 -65.502 -72.103 -29.982 1.00 0.00 H 
    18523  
    18524 Ignored bad PDB record found on line 127885 
    18525 ATOM 3977e HWS SOL W5771 -66.139 -72.953 -31.061 1.00 0.00 H 
    18526  
    18527 Duplicate atom serial number found: 39780 
    18528 Duplicate atom serial number found: 39782 
    18529 Duplicate atom serial number found: 39784 
    18530 Duplicate atom serial number found: 39786 
    18531 Duplicate atom serial number found: 39788 
    18532 Ignored bad PDB record found on line 127891 
    18533 ATOM 3978a HWS SOL W5773 -47.159 80.993 -68.401 1.00 0.00 H 
    18534  
    18535 Ignored bad PDB record found on line 127892 
    18536 ATOM 3978c OWS SOL W5774 -35.029 -87.632 89.679 1.00 0.00 O 
    18537  
    18538 Ignored bad PDB record found on line 127893 
    18539 ATOM 3978e HWS SOL W5774 -35.782 -87.983 89.205 1.00 0.00 H 
    18540  
    18541 Duplicate atom serial number found: 39790 
    18542 Duplicate atom serial number found: 39792 
    18543 Duplicate atom serial number found: 39794 
    18544 Duplicate atom serial number found: 39796 
    18545 Duplicate atom serial number found: 39798 
    18546 Ignored bad PDB record found on line 127899 
    18547 ATOM 3979a HWS SOL W5776 -46.009 -79.480 -47.849 1.00 0.00 H 
    18548  
    18549 Ignored bad PDB record found on line 127900 
    18550 ATOM 3979c HWS SOL W5776 -46.833 -80.524 -48.572 1.00 0.00 H 
    18551  
    18552 Ignored bad PDB record found on line 127901 
    18553 ATOM 3979e OWS SOL W5777 -69.460 -66.405 -85.277 1.00 0.00 O 
    18554  
    18555 Ignored bad PDB record found on line 127902 
    18556 ATOM 397a0 HWS SOL W5777 -69.905 -66.905 -84.593 1.00 0.00 H 
    18557  
    18558 Ignored bad PDB record found on line 127903 
    18559 ATOM 397a2 HWS SOL W5777 -68.823 -65.868 -84.807 1.00 0.00 H 
    18560  
    18561 46 messages similar to the above omitted 
    18562 Duplicate atom serial number found: 39800 
    18563 Duplicate atom serial number found: 39802 
    18564 Duplicate atom serial number found: 39804 
    18565 Duplicate atom serial number found: 39806 
    18566 Duplicate atom serial number found: 39808 
    18567 Ignored bad PDB record found on line 127955 
    18568 ATOM 3980a OWS SOL W5789 -63.103 -88.040 -68.890 1.00 0.00 O 
    18569  
    18570 Ignored bad PDB record found on line 127956 
    18571 ATOM 3980c HWS SOL W5789 -63.815 -88.631 -69.133 1.00 0.00 H 
    18572  
    18573 Ignored bad PDB record found on line 127957 
    18574 ATOM 3980e HWS SOL W5789 -62.920 -88.248 -67.974 1.00 0.00 H 
    18575  
    18576 Ignored bad PDB record found on line 127958 
    18577 ATOM 39810 OWS SOL W578a -77.846 81.583 -49.202 1.00 0.00 O 
    18578  
    18579 Ignored bad PDB record found on line 127959 
    18580 ATOM 39812 HWS SOL W578a -78.141 82.437 -49.519 1.00 0.00 H 
    18581  
    18582 16 messages similar to the above omitted 
    18583 Duplicate atom serial number found: 39834 
    18584 Duplicate atom serial number found: 39836 
    18585 Duplicate atom serial number found: 39838 
    18586 Ignored bad PDB record found on line 127979 
    18587 ATOM 3983a OWS SOL W5791 -83.363 76.407 -59.621 1.00 0.00 O 
    18588  
    18589 Ignored bad PDB record found on line 127980 
    18590 ATOM 3983c HWS SOL W5791 -83.860 75.692 -60.019 1.00 0.00 H 
    18591  
    18592 Ignored bad PDB record found on line 127981 
    18593 ATOM 3983e HWS SOL W5791 -82.466 76.278 -59.930 1.00 0.00 H 
    18594  
    18595 Duplicate atom serial number found: 39840 
    18596 Duplicate atom serial number found: 39842 
    18597 Duplicate atom serial number found: 39844 
    18598 Duplicate atom serial number found: 39846 
    18599 Duplicate atom serial number found: 39848 
    18600 Ignored bad PDB record found on line 127987 
    18601 ATOM 3984a HWS SOL W5793 -44.164 -81.030 -36.192 1.00 0.00 H 
    18602  
    18603 Ignored bad PDB record found on line 127988 
    18604 ATOM 3984c OWS SOL W5794 -72.543 87.623 -58.488 1.00 0.00 O 
    18605  
    18606 Ignored bad PDB record found on line 127989 
    18607 ATOM 3984e HWS SOL W5794 -73.019 87.358 -59.276 1.00 0.00 H 
    18608  
    18609 Duplicate atom serial number found: 39850 
    18610 Duplicate atom serial number found: 39852 
    18611 Duplicate atom serial number found: 39854 
    18612 Duplicate atom serial number found: 39856 
    18613 Duplicate atom serial number found: 39858 
    18614 Ignored bad PDB record found on line 127995 
    18615 ATOM 3985a HWS SOL W5796 -48.534 -73.531 -34.700 1.00 0.00 H 
    18616  
    18617 Ignored bad PDB record found on line 127996 
    18618 ATOM 3985c HWS SOL W5796 -49.234 -72.201 -34.879 1.00 0.00 H 
    18619  
    18620 Ignored bad PDB record found on line 127997 
    18621 ATOM 3985e OWS SOL W5797 -51.589 -70.508 -40.791 1.00 0.00 O 
    18622  
    18623 Duplicate atom serial number found: 39860 
    18624 Duplicate atom serial number found: 39862 
    18625 Duplicate atom serial number found: 39864 
    18626 Duplicate atom serial number found: 39866 
    18627 Duplicate atom serial number found: 39868 
    18628 Ignored bad PDB record found on line 128003 
    18629 ATOM 3986a OWS SOL W5799 -50.408 -51.300 -79.371 1.00 0.00 O 
    18630  
    18631 Ignored bad PDB record found on line 128004 
    18632 ATOM 3986c HWS SOL W5799 -51.145 -50.940 -78.877 1.00 0.00 H 
    18633  
    18634 Ignored bad PDB record found on line 128005 
    18635 ATOM 3986e HWS SOL W5799 -50.559 -52.245 -79.373 1.00 0.00 H 
    18636  
    18637 Ignored bad PDB record found on line 128006 
    18638 ATOM 39870 OWS SOL W579a -60.884 -72.752 -47.541 1.00 0.00 O 
    18639  
    18640 Ignored bad PDB record found on line 128007 
    18641 ATOM 39872 HWS SOL W579a -60.790 -73.076 -46.646 1.00 0.00 H 
    18642  
    18643 13288 messages similar to the above omitted 
    18644 Duplicate atom serial number found: 40044 
    18645 Duplicate atom serial number found: 40046 
    18646 Duplicate atom serial number found: 40048 
    18647 Ignored bad PDB record found on line 141299 
    18648 ATOM 4004a OWS SOL W6901 -44.618 -50.376 -27.681 1.00 0.00 O 
    18649  
    18650 Ignored bad PDB record found on line 141300 
    18651 ATOM 4004c HWS SOL W6901 -45.179 -51.122 -27.893 1.00 0.00 H 
    18652  
    18653 Ignored bad PDB record found on line 141301 
    18654 ATOM 4004e HWS SOL W6901 -43.758 -50.618 -28.024 1.00 0.00 H 
    18655  
    18656 Duplicate atom serial number found: 40050 
    18657 Duplicate atom serial number found: 40052 
    18658 Duplicate atom serial number found: 40054 
    18659 Duplicate atom serial number found: 40056 
    18660 Duplicate atom serial number found: 40058 
    18661 Ignored bad PDB record found on line 141307 
    18662 ATOM 4005a HWS SOL W6903 -70.762 -56.812 -40.979 1.00 0.00 H 
    18663  
    18664 Ignored bad PDB record found on line 141308 
    18665 ATOM 4005c OWS SOL W6904 -60.728 -72.532 -18.895 1.00 0.00 O 
    18666  
    18667 Ignored bad PDB record found on line 141309 
    18668 ATOM 4005e HWS SOL W6904 -60.118 -72.088 -18.305 1.00 0.00 H 
    18669  
    18670 Duplicate atom serial number found: 40060 
    18671 Duplicate atom serial number found: 40062 
    18672 Duplicate atom serial number found: 40064 
    18673 Duplicate atom serial number found: 40066 
    18674 Duplicate atom serial number found: 40068 
    18675 Ignored bad PDB record found on line 141315 
    18676 ATOM 4006a HWS SOL W6906 -67.715 -61.398 -30.012 1.00 0.00 H 
    18677  
    18678 Ignored bad PDB record found on line 141316 
    18679 ATOM 4006c HWS SOL W6906 -66.475 -60.689 -29.509 1.00 0.00 H 
    18680  
    18681 Ignored bad PDB record found on line 141317 
    18682 ATOM 4006e OWS SOL W6907 -67.897 -67.515 -20.112 1.00 0.00 O 
    18683  
    18684 Duplicate atom serial number found: 40070 
    18685 Duplicate atom serial number found: 40072 
    18686 Duplicate atom serial number found: 40074 
    18687 Duplicate atom serial number found: 40076 
    18688 Duplicate atom serial number found: 40078 
    18689 Ignored bad PDB record found on line 141323 
    18690 ATOM 4007a OWS SOL W6909 -44.859 -78.226 -25.678 1.00 0.00 O 
    18691  
    18692 Ignored bad PDB record found on line 141324 
    18693 ATOM 4007c HWS SOL W6909 -44.673 -78.659 -26.511 1.00 0.00 H 
    18694  
    18695 Ignored bad PDB record found on line 141325 
    18696 ATOM 4007e HWS SOL W6909 -45.168 -78.929 -25.107 1.00 0.00 H 
    18697  
    18698 Ignored bad PDB record found on line 141326 
    18699 ATOM 40080 OWS SOL W690a -89.724 -77.801 -14.811 1.00 0.00 O 
    18700  
    18701 Ignored bad PDB record found on line 141327 
    18702 ATOM 40082 HWS SOL W690a -90.454 -77.511 -14.264 1.00 0.00 H 
    18703  
    18704 64 messages similar to the above omitted 
    18705 Duplicate atom serial number found: 40104 
    18706 Duplicate atom serial number found: 40106 
    18707 Duplicate atom serial number found: 40108 
    18708 Ignored bad PDB record found on line 141395 
    18709 ATOM 4010a OWS SOL W6921 -81.815 -41.250 -55.317 1.00 0.00 O 
    18710  
    18711 Ignored bad PDB record found on line 141396 
    18712 ATOM 4010c HWS SOL W6921 -81.385 -41.825 -54.683 1.00 0.00 H 
    18713  
    18714 Ignored bad PDB record found on line 141397 
    18715 ATOM 4010e HWS SOL W6921 -81.197 -40.530 -55.445 1.00 0.00 H 
    18716  
    18717 Duplicate atom serial number found: 40110 
    18718 Duplicate atom serial number found: 40112 
    18719 Duplicate atom serial number found: 40114 
    18720 Duplicate atom serial number found: 40116 
    18721 Duplicate atom serial number found: 40118 
    18722 Ignored bad PDB record found on line 141403 
    18723 ATOM 4011a HWS SOL W6923 -51.646 -76.127 -35.882 1.00 0.00 H 
    18724  
    18725 Ignored bad PDB record found on line 141404 
    18726 ATOM 4011c OWS SOL W6924 -67.569 -36.037 -46.793 1.00 0.00 O 
    18727  
    18728 Ignored bad PDB record found on line 141405 
    18729 ATOM 4011e HWS SOL W6924 -67.030 -36.471 -46.132 1.00 0.00 H 
    18730  
    18731 Duplicate atom serial number found: 40120 
    18732 Duplicate atom serial number found: 40122 
    18733 Duplicate atom serial number found: 40124 
    18734 Duplicate atom serial number found: 40126 
    18735 Duplicate atom serial number found: 40128 
    18736 Ignored bad PDB record found on line 141411 
    18737 ATOM 4012a HWS SOL W6926 -71.200 -50.845 -30.547 1.00 0.00 H 
    18738  
    18739 Ignored bad PDB record found on line 141412 
    18740 ATOM 4012c HWS SOL W6926 -69.758 -50.669 -30.974 1.00 0.00 H 
    18741  
    18742 Ignored bad PDB record found on line 141413 
    18743 ATOM 4012e OWS SOL W6927 -67.196 -48.338 -17.178 1.00 0.00 O 
    18744  
    18745 Duplicate atom serial number found: 40130 
    18746 Duplicate atom serial number found: 40132 
    18747 Duplicate atom serial number found: 40134 
    18748 Duplicate atom serial number found: 40136 
    18749 Duplicate atom serial number found: 40138 
    18750 Ignored bad PDB record found on line 141419 
    18751 ATOM 4013a OWS SOL W6929 -67.829 -61.402 -13.828 1.00 0.00 O 
    18752  
    18753 Ignored bad PDB record found on line 141420 
    18754 ATOM 4013c HWS SOL W6929 -67.547 -62.156 -14.346 1.00 0.00 H 
    18755  
    18756 Ignored bad PDB record found on line 141421 
    18757 ATOM 4013e HWS SOL W6929 -67.577 -60.642 -14.353 1.00 0.00 H 
    18758  
    18759 Ignored bad PDB record found on line 141422 
    18760 ATOM 40140 OWS SOL W692a -52.816 -66.315 -11.650 1.00 0.00 O 
    18761  
    18762 Ignored bad PDB record found on line 141423 
    18763 ATOM 40142 HWS SOL W692a -53.726 -66.611 -11.628 1.00 0.00 H 
    18764  
    18765 16 messages similar to the above omitted 
    18766 Duplicate atom serial number found: 40164 
    18767 Duplicate atom serial number found: 40166 
    18768 Duplicate atom serial number found: 40168 
    18769 Ignored bad PDB record found on line 141443 
    18770 ATOM 4016a OWS SOL W6931 -54.120 -34.396 -46.123 1.00 0.00 O 
    18771  
    18772 Ignored bad PDB record found on line 141444 
    18773 ATOM 4016c HWS SOL W6931 -53.737 -33.991 -46.902 1.00 0.00 H 
    18774  
    18775 Ignored bad PDB record found on line 141445 
    18776 ATOM 4016e HWS SOL W6931 -54.584 -33.682 -45.685 1.00 0.00 H 
    18777  
    18778 Duplicate atom serial number found: 40170 
    18779 Duplicate atom serial number found: 40172 
    18780 Duplicate atom serial number found: 40174 
    18781 Duplicate atom serial number found: 40176 
    18782 Duplicate atom serial number found: 40178 
    18783 Ignored bad PDB record found on line 141451 
    18784 ATOM 4017a HWS SOL W6933 -31.549 -53.879 -16.850 1.00 0.00 H 
    18785  
    18786 Ignored bad PDB record found on line 141452 
    18787 ATOM 4017c OWS SOL W6934 -67.918 -55.165 -54.068 1.00 0.00 O 
    18788  
    18789 Ignored bad PDB record found on line 141453 
    18790 ATOM 4017e HWS SOL W6934 -68.811 -54.828 -54.003 1.00 0.00 H 
    18791  
    18792 Duplicate atom serial number found: 40180 
    18793 Duplicate atom serial number found: 40182 
    18794 Duplicate atom serial number found: 40184 
    18795 Duplicate atom serial number found: 40186 
    18796 Duplicate atom serial number found: 40188 
    18797 Ignored bad PDB record found on line 141459 
    18798 ATOM 4018a HWS SOL W6936 -59.325 -66.325 -6.431 1.00 0.00 H 
    18799  
    18800 Ignored bad PDB record found on line 141460 
    18801 ATOM 4018c HWS SOL W6936 -59.264 -65.335 -5.287 1.00 0.00 H 
    18802  
    18803 Ignored bad PDB record found on line 141461 
    18804 ATOM 4018e OWS SOL W6937 -38.422 -36.063 -21.074 1.00 0.00 O 
    18805  
    18806 Duplicate atom serial number found: 40190 
    18807 Duplicate atom serial number found: 40192 
    18808 Duplicate atom serial number found: 40194 
    18809 Duplicate atom serial number found: 40196 
    18810 Duplicate atom serial number found: 40198 
    18811 Ignored bad PDB record found on line 141467 
    18812 ATOM 4019a OWS SOL W693a -39.282 -38.398 -14.422 1.00 0.00 O 
    18813  
    18814 Ignored bad PDB record found on line 141468 
    18815 ATOM 4019c HWS SOL W693a -39.638 -37.543 -14.666 1.00 0.00 H 
    18816  
    18817 Ignored bad PDB record found on line 141469 
    18818 ATOM 4019e HWS SOL W693a -40.018 -39.002 -14.524 1.00 0.00 H 
    18819  
    18820 Ignored bad PDB record found on line 141470 
    18821 ATOM 401a0 OWS SOL W693b -75.387 -64.322 -23.490 1.00 0.00 O 
    18822  
    18823 Ignored bad PDB record found on line 141471 
    18824 ATOM 401a2 HWS SOL W693b -75.174 -63.390 -23.442 1.00 0.00 H 
    18825  
    18826 62 messages similar to the above omitted 
    18827 Duplicate atom serial number found: 40220 
    18828 Duplicate atom serial number found: 40222 
    18829 Duplicate atom serial number found: 40224 
    18830 Duplicate atom serial number found: 40226 
    18831 Duplicate atom serial number found: 40228 
    18832 Ignored bad PDB record found on line 141539 
    18833 ATOM 4022a OWS SOL W6952 -64.951 -34.493 -43.898 1.00 0.00 O 
    18834  
    18835 Ignored bad PDB record found on line 141540 
    18836 ATOM 4022c HWS SOL W6952 -65.409 -34.857 -43.140 1.00 0.00 H 
    18837  
    18838 Ignored bad PDB record found on line 141541 
    18839 ATOM 4022e HWS SOL W6952 -65.650 -34.173 -44.469 1.00 0.00 H 
    18840  
    18841 Duplicate atom serial number found: 40230 
    18842 Duplicate atom serial number found: 40232 
    18843 Duplicate atom serial number found: 40234 
    18844 Duplicate atom serial number found: 40236 
    18845 Duplicate atom serial number found: 40238 
    18846 Ignored bad PDB record found on line 141547 
    18847 ATOM 4023a HWS SOL W6954 -62.606 -64.929 -9.102 1.00 0.00 H 
    18848  
    18849 Ignored bad PDB record found on line 141548 
    18850 ATOM 4023c OWS SOL W6955 -55.991 -65.704 -5.965 1.00 0.00 O 
    18851  
    18852 Ignored bad PDB record found on line 141549 
    18853 ATOM 4023e HWS SOL W6955 -56.099 -65.338 -5.086 1.00 0.00 H 
    18854  
    18855 Duplicate atom serial number found: 40240 
    18856 Duplicate atom serial number found: 40242 
    18857 Duplicate atom serial number found: 40244 
    18858 Duplicate atom serial number found: 40246 
    18859 Duplicate atom serial number found: 40248 
    18860 Ignored bad PDB record found on line 141555 
    18861 ATOM 4024a HWS SOL W6957 -34.438 -57.336 -17.968 1.00 0.00 H 
    18862  
    18863 Ignored bad PDB record found on line 141556 
    18864 ATOM 4024c HWS SOL W6957 -35.001 -58.540 -18.693 1.00 0.00 H 
    18865  
    18866 Ignored bad PDB record found on line 141557 
    18867 ATOM 4024e OWS SOL W6958 -59.165 -64.908 -34.288 1.00 0.00 O 
    18868  
    18869 Duplicate atom serial number found: 40250 
    18870 Duplicate atom serial number found: 40252 
    18871 Duplicate atom serial number found: 40254 
    18872 Duplicate atom serial number found: 40256 
    18873 Duplicate atom serial number found: 40258 
    18874 Ignored bad PDB record found on line 141563 
    18875 ATOM 4025a OWS SOL W695a -54.533 -78.764 -30.476 1.00 0.00 O 
    18876  
    18877 Ignored bad PDB record found on line 141564 
    18878 ATOM 4025c HWS SOL W695a -55.412 -78.620 -30.826 1.00 0.00 H 
    18879  
    18880 Ignored bad PDB record found on line 141565 
    18881 ATOM 4025e HWS SOL W695a -54.329 -77.958 -30.001 1.00 0.00 H 
    18882  
    18883 Ignored bad PDB record found on line 141566 
    18884 ATOM 40260 OWS SOL W695c -59.302 -50.405 -14.885 1.00 0.00 O 
    18885  
    18886 Ignored bad PDB record found on line 141567 
    18887 ATOM 40262 HWS SOL W695c -58.981 -50.983 -14.193 1.00 0.00 H 
    18888  
    18889 10 messages similar to the above omitted 
    18890 Duplicate atom serial number found: 40278 
    18891 Ignored bad PDB record found on line 141579 
    18892 ATOM 4027a HWS SOL W6960 -52.072 -65.536 -31.396 1.00 0.00 H 
    18893  
    18894 Ignored bad PDB record found on line 141580 
    18895 ATOM 4027c HWS SOL W6960 -53.392 -66.196 -31.059 1.00 0.00 H 
    18896  
    18897 Ignored bad PDB record found on line 141581 
    18898 ATOM 4027e OWS SOL W6961 -83.710 -33.373 -42.966 1.00 0.00 O 
    18899  
    18900 Duplicate atom serial number found: 40280 
    18901 Duplicate atom serial number found: 40282 
    18902 Duplicate atom serial number found: 40284 
    18903 Duplicate atom serial number found: 40286 
    18904 Duplicate atom serial number found: 40288 
    18905 Ignored bad PDB record found on line 141587 
    18906 ATOM 4028a OWS SOL W6963 -40.831 -39.441 -19.944 1.00 0.00 O 
    18907  
    18908 Ignored bad PDB record found on line 141588 
    18909 ATOM 4028c HWS SOL W6963 -41.484 -39.807 -19.347 1.00 0.00 H 
    18910  
    18911 Ignored bad PDB record found on line 141589 
    18912 ATOM 4028e HWS SOL W6963 -41.328 -39.203 -20.726 1.00 0.00 H 
    18913  
    18914 Duplicate atom serial number found: 40290 
    18915 Duplicate atom serial number found: 40292 
    18916 Duplicate atom serial number found: 40294 
    18917 Duplicate atom serial number found: 40296 
    18918 Duplicate atom serial number found: 40298 
    18919 Ignored bad PDB record found on line 141595 
    18920 ATOM 4029a HWS SOL W6965 -63.749 -52.332 -22.287 1.00 0.00 H 
    18921  
    18922 Ignored bad PDB record found on line 141596 
    18923 ATOM 4029c OWS SOL W6966 -76.554 -74.458 -16.545 1.00 0.00 O 
    18924  
    18925 Ignored bad PDB record found on line 141597 
    18926 ATOM 4029e HWS SOL W6966 -76.305 -73.681 -16.045 1.00 0.00 H 
    18927  
    18928 Ignored bad PDB record found on line 141598 
    18929 ATOM 402a0 HWS SOL W6966 -75.736 -74.767 -16.933 1.00 0.00 H 
    18930  
    18931 Ignored bad PDB record found on line 141599 
    18932 ATOM 402a2 OWS SOL W6967 -55.241 -67.890 -47.022 1.00 0.00 O 
    18933  
    18934 46 messages similar to the above omitted 
    18935 Duplicate atom serial number found: 40300 
    18936 Duplicate atom serial number found: 40302 
    18937 Duplicate atom serial number found: 40304 
    18938 Duplicate atom serial number found: 40306 
    18939 Duplicate atom serial number found: 40308 
    18940 Ignored bad PDB record found on line 141651 
    18941 ATOM 4030a HWS SOL W6978 -52.702 -61.287 -21.879 1.00 0.00 H 
    18942  
    18943 Ignored bad PDB record found on line 141652 
    18944 ATOM 4030c HWS SOL W6978 -52.782 -60.500 -20.589 1.00 0.00 H 
    18945  
    18946 Ignored bad PDB record found on line 141653 
    18947 ATOM 4030e OWS SOL W6979 -71.174 -26.544 -27.860 1.00 0.00 O 
    18948  
    18949 Duplicate atom serial number found: 40310 
    18950 Duplicate atom serial number found: 40312 
    18951 Ignored bad PDB record found on line 141656 
    18952 ATOM 40314 OWS SOL W697a -68.486 -74.428 -23.176 1.00 0.00 O 
    18953  
    18954 Ignored bad PDB record found on line 141657 
    18955 ATOM 40316 HWS SOL W697a -68.934 -73.789 -22.621 1.00 0.00 H 
    18956  
    18957 Ignored bad PDB record found on line 141658 
    18958 ATOM 40318 HWS SOL W697a -67.992 -73.898 -23.802 1.00 0.00 H 
    18959  
    18960 Ignored bad PDB record found on line 141659 
    18961 ATOM 4031a OWS SOL W697b -52.784 -50.043 -6.090 1.00 0.00 O 
    18962  
    18963 Ignored bad PDB record found on line 141660 
    18964 ATOM 4031c HWS SOL W697b -53.610 -50.338 -5.707 1.00 0.00 H 
    18965  
    18966 13 messages similar to the above omitted 
    18967 Duplicate atom serial number found: 40338 
    18968 Ignored bad PDB record found on line 141675 
    18969 ATOM 4033a HWS SOL W6980 -59.625 -51.170 -37.499 1.00 0.00 H 
    18970  
    18971 Ignored bad PDB record found on line 141676 
    18972 ATOM 4033c HWS SOL W6980 -58.827 -51.042 -36.219 1.00 0.00 H 
    18973  
    18974 Ignored bad PDB record found on line 141677 
    18975 ATOM 4033e OWS SOL W6981 -67.020 -58.889 1.702 1.00 0.00 O 
    18976  
    18977 Duplicate atom serial number found: 40340 
    18978 Duplicate atom serial number found: 40342 
    18979 Duplicate atom serial number found: 40344 
    18980 Duplicate atom serial number found: 40346 
    18981 Duplicate atom serial number found: 40348 
    18982 Ignored bad PDB record found on line 141683 
    18983 ATOM 4034a OWS SOL W6983 -64.738 -68.072 -46.274 1.00 0.00 O 
    18984  
    18985 Ignored bad PDB record found on line 141684 
    18986 ATOM 4034c HWS SOL W6983 -63.976 -67.660 -45.867 1.00 0.00 H 
    18987  
    18988 Ignored bad PDB record found on line 141685 
    18989 ATOM 4034e HWS SOL W6983 -64.883 -68.868 -45.763 1.00 0.00 H 
    18990  
    18991 Duplicate atom serial number found: 40350 
    18992 Duplicate atom serial number found: 40352 
    18993 Duplicate atom serial number found: 40354 
    18994 Duplicate atom serial number found: 40356 
    18995 Duplicate atom serial number found: 40358 
    18996 Ignored bad PDB record found on line 141691 
    18997 ATOM 4035a HWS SOL W6985 -40.456 -68.066 -1.179 1.00 0.00 H 
    18998  
    18999 Ignored bad PDB record found on line 141692 
    19000 ATOM 4035c OWS SOL W6986 -47.183 -60.227 -40.022 1.00 0.00 O 
    19001  
    19002 Ignored bad PDB record found on line 141693 
    19003 ATOM 4035e HWS SOL W6986 -47.618 -60.588 -39.249 1.00 0.00 H 
    19004  
    19005 Duplicate atom serial number found: 40360 
    19006 Duplicate atom serial number found: 40362 
    19007 Duplicate atom serial number found: 40364 
    19008 Duplicate atom serial number found: 40366 
    19009 Duplicate atom serial number found: 40368 
    19010 Ignored bad PDB record found on line 141699 
    19011 ATOM 4036a HWS SOL W6988 -58.963 -55.656 -38.109 1.00 0.00 H 
    19012  
    19013 Ignored bad PDB record found on line 141700 
    19014 ATOM 4036c HWS SOL W6988 -57.867 -54.615 -38.033 1.00 0.00 H 
    19015  
    19016 Ignored bad PDB record found on line 141701 
    19017 ATOM 4036e OWS SOL W6989 -48.953 -68.906 -32.263 1.00 0.00 O 
    19018  
    19019 Duplicate atom serial number found: 40370 
    19020 Duplicate atom serial number found: 40372 
    19021 Ignored bad PDB record found on line 141704 
    19022 ATOM 40374 OWS SOL W698a -61.705 -56.552 -34.682 1.00 0.00 O 
    19023  
    19024 Ignored bad PDB record found on line 141705 
    19025 ATOM 40376 HWS SOL W698a -61.427 -57.438 -34.453 1.00 0.00 H 
    19026  
    19027 Ignored bad PDB record found on line 141706 
    19028 ATOM 40378 HWS SOL W698a -60.889 -56.072 -34.819 1.00 0.00 H 
    19029  
    19030 Ignored bad PDB record found on line 141707 
    19031 ATOM 4037a OWS SOL W698b -85.321 -61.738 -42.010 1.00 0.00 O 
    19032  
    19033 Ignored bad PDB record found on line 141708 
    19034 ATOM 4037c HWS SOL W698b -85.964 -61.058 -42.213 1.00 0.00 H 
    19035  
    19036 13 messages similar to the above omitted 
    19037 Duplicate atom serial number found: 40398 
    19038 Ignored bad PDB record found on line 141723 
    19039 ATOM 4039a HWS SOL W6990 -52.550 -53.811 -27.104 1.00 0.00 H 
    19040  
    19041 Ignored bad PDB record found on line 141724 
    19042 ATOM 4039c HWS SOL W6990 -52.176 -55.080 -26.368 1.00 0.00 H 
    19043  
    19044 Ignored bad PDB record found on line 141725 
    19045 ATOM 4039e OWS SOL W6991 -51.151 -51.849 -39.876 1.00 0.00 O 
    19046  
    19047 Ignored bad PDB record found on line 141726 
    19048 ATOM 403a0 HWS SOL W6991 -51.516 -51.819 -40.760 1.00 0.00 H 
    19049  
    19050 Ignored bad PDB record found on line 141727 
    19051 ATOM 403a2 HWS SOL W6991 -51.587 -51.135 -39.411 1.00 0.00 H 
    19052  
    19053 5678 messages similar to the above omitted 
    19054 Duplicate atom serial number found: 43000 
    19055 Duplicate atom serial number found: 43002 
    19056 Duplicate atom serial number found: 43004 
    19057 Duplicate atom serial number found: 43006 
    19058 Duplicate atom serial number found: 43008 
    19059 Ignored bad PDB record found on line 147411 
    19060 ATOM 4300a HWS SOL W7102 -59.233 -39.428 49.106 1.00 0.00 H 
    19061  
    19062 Ignored bad PDB record found on line 147412 
    19063 ATOM 4300c HWS SOL W7102 -58.763 -39.187 50.525 1.00 0.00 H 
    19064  
    19065 Ignored bad PDB record found on line 147413 
    19066 ATOM 4300e OWS SOL W7103 -70.896 -48.095 73.920 1.00 0.00 O 
    19067  
    19068 Duplicate atom serial number found: 43010 
    19069 Duplicate atom serial number found: 43012 
    19070 Duplicate atom serial number found: 43014 
    19071 Duplicate atom serial number found: 43016 
    19072 Duplicate atom serial number found: 43018 
    19073 Ignored bad PDB record found on line 147419 
    19074 ATOM 4301a OWS SOL W7105 -68.289 -69.970 50.283 1.00 0.00 O 
    19075  
    19076 Ignored bad PDB record found on line 147420 
    19077 ATOM 4301c HWS SOL W7105 -67.506 -70.176 50.793 1.00 0.00 H 
    19078  
    19079 Ignored bad PDB record found on line 147421 
    19080 ATOM 4301e HWS SOL W7105 -68.178 -70.457 49.466 1.00 0.00 H 
    19081  
    19082 Duplicate atom serial number found: 43020 
    19083 Duplicate atom serial number found: 43022 
    19084 Duplicate atom serial number found: 43024 
    19085 Duplicate atom serial number found: 43026 
    19086 Duplicate atom serial number found: 43028 
    19087 Ignored bad PDB record found on line 147427 
    19088 ATOM 4302a HWS SOL W7107 -38.461 -73.325 47.340 1.00 0.00 H 
    19089  
    19090 Ignored bad PDB record found on line 147428 
    19091 ATOM 4302c OWS SOL W7108 -78.591 -56.369 28.434 1.00 0.00 O 
    19092  
    19093 Ignored bad PDB record found on line 147429 
    19094 ATOM 4302e HWS SOL W7108 -79.221 -56.532 29.136 1.00 0.00 H 
    19095  
    19096 Duplicate atom serial number found: 43030 
    19097 Duplicate atom serial number found: 43032 
    19098 Duplicate atom serial number found: 43034 
    19099 Duplicate atom serial number found: 43036 
    19100 Ignored bad PDB record found on line 147434 
    19101 ATOM 43038 OWS SOL W710a -41.415 -58.801 42.914 1.00 0.00 O 
    19102  
    19103 Ignored bad PDB record found on line 147435 
    19104 ATOM 4303a HWS SOL W710a -41.970 -59.258 43.545 1.00 0.00 H 
    19105  
    19106 Ignored bad PDB record found on line 147436 
    19107 ATOM 4303c HWS SOL W710a -41.229 -59.454 42.240 1.00 0.00 H 
    19108  
    19109 Ignored bad PDB record found on line 147437 
    19110 ATOM 4303e OWS SOL W710b -81.500 -79.110 65.910 1.00 0.00 O 
    19111  
    19112 Ignored bad PDB record found on line 147438 
    19113 ATOM 43040 HWS SOL W710b -81.983 -79.078 66.736 1.00 0.00 H 
    19114  
    19115 15 messages similar to the above omitted 
    19116 Duplicate atom serial number found: 43060 
    19117 Duplicate atom serial number found: 43062 
    19118 Duplicate atom serial number found: 43064 
    19119 Duplicate atom serial number found: 43066 
    19120 Duplicate atom serial number found: 43068 
    19121 Ignored bad PDB record found on line 147459 
    19122 ATOM 4306a HWS SOL W7112 -48.011 -75.942 60.827 1.00 0.00 H 
    19123  
    19124 Ignored bad PDB record found on line 147460 
    19125 ATOM 4306c HWS SOL W7112 -48.492 -76.478 62.158 1.00 0.00 H 
    19126  
    19127 Ignored bad PDB record found on line 147461 
    19128 ATOM 4306e OWS SOL W7113 -45.765 -54.469 39.718 1.00 0.00 O 
    19129  
    19130 Duplicate atom serial number found: 43070 
    19131 Duplicate atom serial number found: 43072 
    19132 Duplicate atom serial number found: 43074 
    19133 Duplicate atom serial number found: 43076 
    19134 Duplicate atom serial number found: 43078 
    19135 Ignored bad PDB record found on line 147467 
    19136 ATOM 4307a OWS SOL W7115 -66.187 -64.663 61.526 1.00 0.00 O 
    19137  
    19138 Ignored bad PDB record found on line 147468 
    19139 ATOM 4307c HWS SOL W7115 -66.687 -64.942 60.758 1.00 0.00 H 
    19140  
    19141 Ignored bad PDB record found on line 147469 
    19142 ATOM 4307e HWS SOL W7115 -65.955 -63.753 61.343 1.00 0.00 H 
    19143  
    19144 Duplicate atom serial number found: 43080 
    19145 Duplicate atom serial number found: 43082 
    19146 Duplicate atom serial number found: 43084 
    19147 Duplicate atom serial number found: 43086 
    19148 Duplicate atom serial number found: 43088 
    19149 Ignored bad PDB record found on line 147475 
    19150 ATOM 4308a HWS SOL W7117 -64.409 -64.278 68.141 1.00 0.00 H 
    19151  
    19152 Ignored bad PDB record found on line 147476 
    19153 ATOM 4308c OWS SOL W7118 -45.178 -49.334 64.981 1.00 0.00 O 
    19154  
    19155 Ignored bad PDB record found on line 147477 
    19156 ATOM 4308e HWS SOL W7118 -44.345 -49.579 64.579 1.00 0.00 H 
    19157  
    19158 Duplicate atom serial number found: 43090 
    19159 Duplicate atom serial number found: 43092 
    19160 Duplicate atom serial number found: 43094 
    19161 Duplicate atom serial number found: 43096 
    19162 Ignored bad PDB record found on line 147482 
    19163 ATOM 43098 OWS SOL W711a -50.042 -48.157 81.716 1.00 0.00 O 
    19164  
    19165 Ignored bad PDB record found on line 147483 
    19166 ATOM 4309a HWS SOL W711a -50.016 -47.226 81.937 1.00 0.00 H 
    19167  
    19168 Ignored bad PDB record found on line 147484 
    19169 ATOM 4309c HWS SOL W711a -50.624 -48.543 82.371 1.00 0.00 H 
    19170  
    19171 Ignored bad PDB record found on line 147485 
    19172 ATOM 4309e OWS SOL W711b -59.078 -40.545 65.143 1.00 0.00 O 
    19173  
    19174 Ignored bad PDB record found on line 147486 
    19175 ATOM 430a0 HWS SOL W711b -59.746 -40.945 65.700 1.00 0.00 H 
    19176  
    19177 63 messages similar to the above omitted 
    19178 Duplicate atom serial number found: 43120 
    19179 Duplicate atom serial number found: 43122 
    19180 Duplicate atom serial number found: 43124 
    19181 Duplicate atom serial number found: 43126 
    19182 Duplicate atom serial number found: 43128 
    19183 Ignored bad PDB record found on line 147555 
    19184 ATOM 4312a HWS SOL W7132 -53.970 -72.469 77.383 1.00 0.00 H 
    19185  
    19186 Ignored bad PDB record found on line 147556 
    19187 ATOM 4312c HWS SOL W7132 -54.925 -72.661 76.223 1.00 0.00 H 
    19188  
    19189 Ignored bad PDB record found on line 147557 
    19190 ATOM 4312e OWS SOL W7133 -40.280 -70.814 43.968 1.00 0.00 O 
    19191  
    19192 Duplicate atom serial number found: 43130 
    19193 Duplicate atom serial number found: 43132 
    19194 Duplicate atom serial number found: 43134 
    19195 Duplicate atom serial number found: 43136 
    19196 Duplicate atom serial number found: 43138 
    19197 Ignored bad PDB record found on line 147563 
    19198 ATOM 4313a OWS SOL W7135 -59.878 -46.332 66.840 1.00 0.00 O 
    19199  
    19200 Ignored bad PDB record found on line 147564 
    19201 ATOM 4313c HWS SOL W7135 -59.512 -47.216 66.837 1.00 0.00 H 
    19202  
    19203 Ignored bad PDB record found on line 147565 
    19204 ATOM 4313e HWS SOL W7135 -60.695 -46.408 66.347 1.00 0.00 H 
    19205  
    19206 Duplicate atom serial number found: 43140 
    19207 Duplicate atom serial number found: 43142 
    19208 Duplicate atom serial number found: 43144 
    19209 Duplicate atom serial number found: 43146 
    19210 Duplicate atom serial number found: 43148 
    19211 Ignored bad PDB record found on line 147571 
    19212 ATOM 4314a HWS SOL W7137 -65.621 -46.921 40.778 1.00 0.00 H 
    19213  
    19214 Ignored bad PDB record found on line 147572 
    19215 ATOM 4314c OWS SOL W7138 -71.523 -85.862 70.190 1.00 0.00 O 
    19216  
    19217 Ignored bad PDB record found on line 147573 
    19218 ATOM 4314e HWS SOL W7138 -71.760 -86.341 70.985 1.00 0.00 H 
    19219  
    19220 Duplicate atom serial number found: 43150 
    19221 Duplicate atom serial number found: 43152 
    19222 Duplicate atom serial number found: 43154 
    19223 Duplicate atom serial number found: 43156 
    19224 Ignored bad PDB record found on line 147578 
    19225 ATOM 43158 OWS SOL W713a -50.617 -75.866 71.932 1.00 0.00 O 
    19226  
    19227 Ignored bad PDB record found on line 147579 
    19228 ATOM 4315a HWS SOL W713a -49.803 -75.375 71.824 1.00 0.00 H 
    19229  
    19230 Ignored bad PDB record found on line 147580 
    19231 ATOM 4315c HWS SOL W713a -50.627 -76.115 72.856 1.00 0.00 H 
    19232  
    19233 Ignored bad PDB record found on line 147581 
    19234 ATOM 4315e OWS SOL W713b -50.047 -50.890 54.224 1.00 0.00 O 
    19235  
    19236 Ignored bad PDB record found on line 147582 
    19237 ATOM 43160 HWS SOL W713b -50.523 -50.064 54.306 1.00 0.00 H 
    19238  
    19239 15 messages similar to the above omitted 
    19240 Duplicate atom serial number found: 43180 
    19241 Duplicate atom serial number found: 43182 
    19242 Duplicate atom serial number found: 43184 
    19243 Duplicate atom serial number found: 43186 
    19244 Duplicate atom serial number found: 43188 
    19245 Ignored bad PDB record found on line 147603 
    19246 ATOM 4318a HWS SOL W7142 -51.752 -74.982 41.995 1.00 0.00 H 
    19247  
    19248 Ignored bad PDB record found on line 147604 
    19249 ATOM 4318c HWS SOL W7142 -50.855 -73.779 41.792 1.00 0.00 H 
    19250  
    19251 Ignored bad PDB record found on line 147605 
    19252 ATOM 4318e OWS SOL W7143 -31.503 -56.585 51.976 1.00 0.00 O 
    19253  
    19254 Duplicate atom serial number found: 43190 
    19255 Duplicate atom serial number found: 43192 
    19256 Duplicate atom serial number found: 43194 
    19257 Duplicate atom serial number found: 43196 
    19258 Duplicate atom serial number found: 43198 
    19259 Ignored bad PDB record found on line 147611 
    19260 ATOM 4319a OWS SOL W7145 -53.485 -61.274 43.242 1.00 0.00 O 
    19261  
    19262 Ignored bad PDB record found on line 147612 
    19263 ATOM 4319c HWS SOL W7145 -52.877 -61.265 42.502 1.00 0.00 H 
    19264  
    19265 Ignored bad PDB record found on line 147613 
    19266 ATOM 4319e HWS SOL W7145 -54.352 -61.209 42.841 1.00 0.00 H 
    19267  
    19268 Ignored bad PDB record found on line 147614 
    19269 ATOM 431a0 OWS SOL W7146 -74.798 -56.789 43.597 1.00 0.00 O 
    19270  
    19271 Ignored bad PDB record found on line 147615 
    19272 ATOM 431a2 HWS SOL W7146 -74.203 -56.187 44.044 1.00 0.00 H 
    19273  
    19274 46 messages similar to the above omitted 
    19275 Duplicate atom serial number found: 43200 
    19276 Duplicate atom serial number found: 43202 
    19277 Duplicate atom serial number found: 43204 
    19278 Duplicate atom serial number found: 43206 
    19279 Duplicate atom serial number found: 43208 
    19280 Ignored bad PDB record found on line 147667 
    19281 ATOM 4320a HWS SOL W7157 -52.251 -43.208 72.452 1.00 0.00 H 
    19282  
    19283 Ignored bad PDB record found on line 147668 
    19284 ATOM 4320c OWS SOL W7158 -57.468 -53.590 81.115 1.00 0.00 O 
    19285  
    19286 Ignored bad PDB record found on line 147669 
    19287 ATOM 4320e HWS SOL W7158 -58.201 -53.249 81.627 1.00 0.00 H 
    19288  
    19289 Duplicate atom serial number found: 43210 
    19290 Duplicate atom serial number found: 43212 
    19291 Duplicate atom serial number found: 43214 
    19292 Duplicate atom serial number found: 43216 
    19293 Ignored bad PDB record found on line 147674 
    19294 ATOM 43218 OWS SOL W715a -56.711 -49.456 54.822 1.00 0.00 O 
    19295  
    19296 Ignored bad PDB record found on line 147675 
    19297 ATOM 4321a HWS SOL W715a -56.427 -48.977 55.600 1.00 0.00 H 
    19298  
    19299 Ignored bad PDB record found on line 147676 
    19300 ATOM 4321c HWS SOL W715a -57.558 -49.069 54.598 1.00 0.00 H 
    19301  
    19302 Ignored bad PDB record found on line 147677 
    19303 ATOM 4321e OWS SOL W715b -65.467 -47.425 65.646 1.00 0.00 O 
    19304  
    19305 Ignored bad PDB record found on line 147678 
    19306 ATOM 43220 HWS SOL W715b -65.320 -47.196 66.564 1.00 0.00 H 
    19307  
    19308 15 messages similar to the above omitted 
    19309 Duplicate atom serial number found: 43240 
    19310 Duplicate atom serial number found: 43242 
    19311 Duplicate atom serial number found: 43244 
    19312 Duplicate atom serial number found: 43246 
    19313 Duplicate atom serial number found: 43248 
    19314 Ignored bad PDB record found on line 147699 
    19315 ATOM 4324a HWS SOL W7162 -79.011 -60.938 57.394 1.00 0.00 H 
    19316  
    19317 Ignored bad PDB record found on line 147700 
    19318 ATOM 4324c HWS SOL W7162 -78.626 -59.498 57.658 1.00 0.00 H 
    19319  
    19320 Ignored bad PDB record found on line 147701 
    19321 ATOM 4324e OWS SOL W7163 -62.506 -49.781 34.337 1.00 0.00 O 
    19322  
    19323 Duplicate atom serial number found: 43250 
    19324 Duplicate atom serial number found: 43252 
    19325 Duplicate atom serial number found: 43254 
    19326 Duplicate atom serial number found: 43256 
    19327 Duplicate atom serial number found: 43258 
    19328 Ignored bad PDB record found on line 147707 
    19329 ATOM 4325a OWS SOL W7165 -69.185 -36.296 81.446 1.00 0.00 O 
    19330  
    19331 Ignored bad PDB record found on line 147708 
    19332 ATOM 4325c HWS SOL W7165 -69.111 -37.145 81.011 1.00 0.00 H 
    19333  
    19334 Ignored bad PDB record found on line 147709 
    19335 ATOM 4325e HWS SOL W7165 -68.388 -35.828 81.197 1.00 0.00 H 
    19336  
    19337 Duplicate atom serial number found: 43260 
    19338 Duplicate atom serial number found: 43262 
    19339 Duplicate atom serial number found: 43264 
    19340 Duplicate atom serial number found: 43266 
    19341 Duplicate atom serial number found: 43268 
    19342 Ignored bad PDB record found on line 147715 
    19343 ATOM 4326a HWS SOL W7167 -62.193 -50.007 47.740 1.00 0.00 H 
    19344  
    19345 Ignored bad PDB record found on line 147716 
    19346 ATOM 4326c OWS SOL W7168 -52.693 -83.008 50.761 1.00 0.00 O 
    19347  
    19348 Ignored bad PDB record found on line 147717 
    19349 ATOM 4326e HWS SOL W7168 -52.255 -83.277 51.569 1.00 0.00 H 
    19350  
    19351 Duplicate atom serial number found: 43270 
    19352 Duplicate atom serial number found: 43272 
    19353 Duplicate atom serial number found: 43274 
    19354 Duplicate atom serial number found: 43276 
    19355 Ignored bad PDB record found on line 147722 
    19356 ATOM 43278 OWS SOL W716a -51.321 -64.518 69.821 1.00 0.00 O 
    19357  
    19358 Ignored bad PDB record found on line 147723 
    19359 ATOM 4327a HWS SOL W716a -52.140 -64.025 69.866 1.00 0.00 H 
    19360  
    19361 Ignored bad PDB record found on line 147724 
    19362 ATOM 4327c HWS SOL W716a -51.436 -65.233 70.447 1.00 0.00 H 
    19363  
    19364 Ignored bad PDB record found on line 147725 
    19365 ATOM 4327e OWS SOL W716b -53.083 -38.936 50.720 1.00 0.00 O 
    19366  
    19367 Ignored bad PDB record found on line 147726 
    19368 ATOM 43280 HWS SOL W716b -52.906 -39.877 50.727 1.00 0.00 H 
    19369  
    19370 63 messages similar to the above omitted 
    19371 Duplicate atom serial number found: 43300 
    19372 Duplicate atom serial number found: 43302 
    19373 Duplicate atom serial number found: 43304 
    19374 Duplicate atom serial number found: 43306 
    19375 Duplicate atom serial number found: 43308 
    19376 Ignored bad PDB record found on line 147795 
    19377 ATOM 4330a HWS SOL W7182 -43.135 -58.631 52.133 1.00 0.00 H 
    19378  
    19379 Ignored bad PDB record found on line 147796 
    19380 ATOM 4330c HWS SOL W7182 -44.560 -58.902 51.699 1.00 0.00 H 
    19381  
    19382 Ignored bad PDB record found on line 147797 
    19383 ATOM 4330e OWS SOL W7183 -69.192 -32.597 32.695 1.00 0.00 O 
    19384  
    19385 Duplicate atom serial number found: 43310 
    19386 Duplicate atom serial number found: 43312 
    19387 Duplicate atom serial number found: 43314 
    19388 Duplicate atom serial number found: 43316 
    19389 Duplicate atom serial number found: 43318 
    19390 Ignored bad PDB record found on line 147803 
    19391 ATOM 4331a OWS SOL W7185 -72.380 -67.091 72.367 1.00 0.00 O 
    19392  
    19393 Ignored bad PDB record found on line 147804 
    19394 ATOM 4331c HWS SOL W7185 -71.445 -66.919 72.474 1.00 0.00 H 
    19395  
    19396 Ignored bad PDB record found on line 147805 
    19397 ATOM 4331e HWS SOL W7185 -72.618 -66.629 71.563 1.00 0.00 H 
    19398  
    19399 Duplicate atom serial number found: 43320 
    19400 Duplicate atom serial number found: 43322 
    19401 Duplicate atom serial number found: 43324 
    19402 Duplicate atom serial number found: 43326 
    19403 Duplicate atom serial number found: 43328 
    19404 Ignored bad PDB record found on line 147811 
    19405 ATOM 4332a HWS SOL W7187 -45.065 -58.468 55.543 1.00 0.00 H 
    19406  
    19407 Ignored bad PDB record found on line 147812 
    19408 ATOM 4332c OWS SOL W7188 -48.896 -41.029 74.473 1.00 0.00 O 
    19409  
    19410 Ignored bad PDB record found on line 147813 
    19411 ATOM 4332e HWS SOL W7188 -49.107 -41.958 74.568 1.00 0.00 H 
    19412  
    19413 Duplicate atom serial number found: 43330 
    19414 Duplicate atom serial number found: 43332 
    19415 Duplicate atom serial number found: 43334 
    19416 Duplicate atom serial number found: 43336 
    19417 Ignored bad PDB record found on line 147818 
    19418 ATOM 43338 OWS SOL W718a -51.901 -68.189 65.403 1.00 0.00 O 
    19419  
    19420 Ignored bad PDB record found on line 147819 
    19421 ATOM 4333a HWS SOL W718a -51.651 -67.276 65.260 1.00 0.00 H 
    19422  
    19423 Ignored bad PDB record found on line 147820 
    19424 ATOM 4333c HWS SOL W718a -51.994 -68.552 64.522 1.00 0.00 H 
    19425  
    19426 Ignored bad PDB record found on line 147821 
    19427 ATOM 4333e OWS SOL W718b -59.067 -51.719 63.693 1.00 0.00 O 
    19428  
    19429 Ignored bad PDB record found on line 147822 
    19430 ATOM 43340 HWS SOL W718b -58.413 -51.179 64.138 1.00 0.00 H 
    19431  
    19432 15 messages similar to the above omitted 
    19433 Duplicate atom serial number found: 43360 
    19434 Duplicate atom serial number found: 43362 
    19435 Duplicate atom serial number found: 43364 
    19436 Duplicate atom serial number found: 43366 
    19437 Duplicate atom serial number found: 43368 
    19438 Ignored bad PDB record found on line 147843 
    19439 ATOM 4336a HWS SOL W7192 -44.008 -67.527 29.373 1.00 0.00 H 
    19440  
    19441 Ignored bad PDB record found on line 147844 
    19442 ATOM 4336c HWS SOL W7192 -44.073 -66.986 27.960 1.00 0.00 H 
    19443  
    19444 Ignored bad PDB record found on line 147845 
    19445 ATOM 4336e OWS SOL W7193 -77.228 -46.307 55.814 1.00 0.00 O 
    19446  
    19447 Duplicate atom serial number found: 43370 
    19448 Duplicate atom serial number found: 43372 
    19449 Duplicate atom serial number found: 43374 
    19450 Duplicate atom serial number found: 43376 
    19451 Duplicate atom serial number found: 43378 
    19452 Ignored bad PDB record found on line 147851 
    19453 ATOM 4337a OWS SOL W7195 -43.323 -33.129 60.202 1.00 0.00 O 
    19454  
    19455 Ignored bad PDB record found on line 147852 
    19456 ATOM 4337c HWS SOL W7195 -43.244 -34.083 60.172 1.00 0.00 H 
    19457  
    19458 Ignored bad PDB record found on line 147853 
    19459 ATOM 4337e HWS SOL W7195 -42.684 -32.815 59.562 1.00 0.00 H 
    19460  
    19461 Duplicate atom serial number found: 43380 
    19462 Duplicate atom serial number found: 43382 
    19463 Duplicate atom serial number found: 43384 
    19464 Duplicate atom serial number found: 43386 
    19465 Duplicate atom serial number found: 43388 
    19466 Ignored bad PDB record found on line 147859 
    19467 ATOM 4338a HWS SOL W7197 -51.962 -61.552 87.170 1.00 0.00 H 
    19468  
    19469 Ignored bad PDB record found on line 147860 
    19470 ATOM 4338c OWS SOL W7198 -43.234 -61.308 68.738 1.00 0.00 O 
    19471  
    19472 Ignored bad PDB record found on line 147861 
    19473 ATOM 4338e HWS SOL W7198 -44.091 -61.634 69.013 1.00 0.00 H 
    19474  
    19475 Duplicate atom serial number found: 43390 
    19476 Duplicate atom serial number found: 43392 
    19477 Duplicate atom serial number found: 43394 
    19478 Duplicate atom serial number found: 43396 
    19479 Ignored bad PDB record found on line 147866 
    19480 ATOM 43398 OWS SOL W719a -48.098 -65.808 47.676 1.00 0.00 O 
    19481  
    19482 Ignored bad PDB record found on line 147867 
    19483 ATOM 4339a HWS SOL W719a -47.944 -66.653 48.100 1.00 0.00 H 
    19484  
    19485 Ignored bad PDB record found on line 147868 
    19486 ATOM 4339c HWS SOL W719a -48.852 -65.442 48.137 1.00 0.00 H 
    19487  
    19488 Ignored bad PDB record found on line 147869 
    19489 ATOM 4339e OWS SOL W719b 87.868 -44.953 69.485 1.00 0.00 O 
    19490  
    19491 Ignored bad PDB record found on line 147870 
    19492 ATOM 433a0 HWS SOL W719b 88.535 -44.269 69.431 1.00 0.00 H 
    19493  
    19494 303 messages similar to the above omitted 
    19495 Duplicate atom serial number found: 43600 
    19496 Duplicate atom serial number found: 43602 
    19497 Duplicate atom serial number found: 43604 
    19498 Duplicate atom serial number found: 43606 
    19499 Duplicate atom serial number found: 43608 
    19500 Ignored bad PDB record found on line 148179 
    19501 ATOM 4360a HWS SOL W7202 -63.485 -53.145 49.765 1.00 0.00 H 
    19502  
    19503 Ignored bad PDB record found on line 148180 
    19504 ATOM 4360c HWS SOL W7202 -64.684 -53.936 50.244 1.00 0.00 H 
    19505  
    19506 Ignored bad PDB record found on line 148181 
    19507 ATOM 4360e OWS SOL W7203 -61.571 85.699 65.996 1.00 0.00 O 
    19508  
    19509 Duplicate atom serial number found: 43610 
    19510 Duplicate atom serial number found: 43612 
    19511 Duplicate atom serial number found: 43614 
    19512 Duplicate atom serial number found: 43616 
    19513 Duplicate atom serial number found: 43618 
    19514 Ignored bad PDB record found on line 148187 
    19515 ATOM 4361a OWS SOL W7205 -36.150 -41.855 63.412 1.00 0.00 O 
    19516  
    19517 Ignored bad PDB record found on line 148188 
    19518 ATOM 4361c HWS SOL W7205 -37.055 -41.986 63.695 1.00 0.00 H 
    19519  
    19520 Ignored bad PDB record found on line 148189 
    19521 ATOM 4361e HWS SOL W7205 -36.005 -40.913 63.501 1.00 0.00 H 
    19522  
    19523 Duplicate atom serial number found: 43620 
    19524 Duplicate atom serial number found: 43622 
    19525 Duplicate atom serial number found: 43624 
    19526 Duplicate atom serial number found: 43626 
    19527 Duplicate atom serial number found: 43628 
    19528 Ignored bad PDB record found on line 148195 
    19529 ATOM 4362a HWS SOL W7207 -42.189 -47.631 46.853 1.00 0.00 H 
    19530  
    19531 Ignored bad PDB record found on line 148196 
    19532 ATOM 4362c OWS SOL W7208 -59.620 -71.727 48.092 1.00 0.00 O 
    19533  
    19534 Ignored bad PDB record found on line 148197 
    19535 ATOM 4362e HWS SOL W7208 -60.102 -70.911 47.958 1.00 0.00 H 
    19536  
    19537 Duplicate atom serial number found: 43630 
    19538 Duplicate atom serial number found: 43632 
    19539 Duplicate atom serial number found: 43634 
    19540 Duplicate atom serial number found: 43636 
    19541 Ignored bad PDB record found on line 148202 
    19542 ATOM 43638 OWS SOL W720a -54.027 -52.899 50.260 1.00 0.00 O 
    19543  
    19544 Ignored bad PDB record found on line 148203 
    19545 ATOM 4363a HWS SOL W720a -53.244 -52.351 50.308 1.00 0.00 H 
    19546  
    19547 Ignored bad PDB record found on line 148204 
    19548 ATOM 4363c HWS SOL W720a -54.286 -52.868 49.340 1.00 0.00 H 
    19549  
    19550 Ignored bad PDB record found on line 148205 
    19551 ATOM 4363e OWS SOL W720b -36.071 -74.724 44.266 1.00 0.00 O 
    19552  
    19553 Ignored bad PDB record found on line 148206 
    19554 ATOM 43640 HWS SOL W720b -35.633 -74.303 43.526 1.00 0.00 H 
    19555  
    19556 15 messages similar to the above omitted 
    19557 Duplicate atom serial number found: 43660 
    19558 Duplicate atom serial number found: 43662 
    19559 Duplicate atom serial number found: 43664 
    19560 Duplicate atom serial number found: 43666 
    19561 Duplicate atom serial number found: 43668 
    19562 Ignored bad PDB record found on line 148227 
    19563 ATOM 4366a HWS SOL W7212 -47.013 -72.475 43.078 1.00 0.00 H 
    19564  
    19565 Ignored bad PDB record found on line 148228 
    19566 ATOM 4366c HWS SOL W7212 -46.349 -72.155 44.401 1.00 0.00 H 
    19567  
    19568 Ignored bad PDB record found on line 148229 
    19569 ATOM 4366e OWS SOL W7213 -46.937 -42.393 38.482 1.00 0.00 O 
    19570  
    19571 Duplicate atom serial number found: 43670 
    19572 Duplicate atom serial number found: 43672 
    19573 Duplicate atom serial number found: 43674 
    19574 Duplicate atom serial number found: 43676 
    19575 Duplicate atom serial number found: 43678 
    19576 Ignored bad PDB record found on line 148235 
    19577 ATOM 4367a OWS SOL W7215 -76.999 -38.756 85.582 1.00 0.00 O 
    19578  
    19579 Ignored bad PDB record found on line 148236 
    19580 ATOM 4367c HWS SOL W7215 -76.588 -39.249 86.292 1.00 0.00 H 
    19581  
    19582 Ignored bad PDB record found on line 148237 
    19583 ATOM 4367e HWS SOL W7215 -77.304 -39.425 84.970 1.00 0.00 H 
    19584  
    19585 Duplicate atom serial number found: 43680 
    19586 Duplicate atom serial number found: 43682 
    19587 Duplicate atom serial number found: 43684 
    19588 Duplicate atom serial number found: 43686 
    19589 Duplicate atom serial number found: 43688 
    19590 Ignored bad PDB record found on line 148243 
    19591 ATOM 4368a HWS SOL W7217 -29.721 -52.295 72.578 1.00 0.00 H 
    19592  
    19593 Ignored bad PDB record found on line 148244 
    19594 ATOM 4368c OWS SOL W7218 -68.556 -68.177 52.754 1.00 0.00 O 
    19595  
    19596 Ignored bad PDB record found on line 148245 
    19597 ATOM 4368e HWS SOL W7218 -67.682 -68.420 52.450 1.00 0.00 H 
    19598  
    19599 Duplicate atom serial number found: 43690 
    19600 Duplicate atom serial number found: 43692 
    19601 Duplicate atom serial number found: 43694 
    19602 Duplicate atom serial number found: 43696 
    19603 Ignored bad PDB record found on line 148250 
    19604 ATOM 43698 OWS SOL W721a -65.779 -68.247 61.126 1.00 0.00 O 
    19605  
    19606 Ignored bad PDB record found on line 148251 
    19607 ATOM 4369a HWS SOL W721a -66.569 -67.919 60.697 1.00 0.00 H 
    19608  
    19609 Ignored bad PDB record found on line 148252 
    19610 ATOM 4369c HWS SOL W721a -65.792 -69.190 60.964 1.00 0.00 H 
    19611  
    19612 Ignored bad PDB record found on line 148253 
    19613 ATOM 4369e OWS SOL W721b -58.924 -50.179 61.376 1.00 0.00 O 
    19614  
    19615 Ignored bad PDB record found on line 148254 
    19616 ATOM 436a0 HWS SOL W721b -58.441 -49.631 60.756 1.00 0.00 H 
    19617  
    19618 63 messages similar to the above omitted 
    19619 Duplicate atom serial number found: 43720 
    19620 Duplicate atom serial number found: 43722 
    19621 Duplicate atom serial number found: 43724 
    19622 Duplicate atom serial number found: 43726 
    19623 Duplicate atom serial number found: 43728 
    19624 Ignored bad PDB record found on line 148323 
    19625 ATOM 4372a HWS SOL W7232 -68.510 88.758 37.106 1.00 0.00 H 
    19626  
    19627 Ignored bad PDB record found on line 148324 
    19628 ATOM 4372c HWS SOL W7232 -67.681 89.952 37.531 1.00 0.00 H 
    19629  
    19630 Ignored bad PDB record found on line 148325 
    19631 ATOM 4372e OWS SOL W7233 -18.094 -73.358 57.090 1.00 0.00 O 
    19632  
    19633 Duplicate atom serial number found: 43730 
    19634 Duplicate atom serial number found: 43732 
    19635 Duplicate atom serial number found: 43734 
    19636 Duplicate atom serial number found: 43736 
    19637 Duplicate atom serial number found: 43738 
    19638 Ignored bad PDB record found on line 148331 
    19639 ATOM 4373a OWS SOL W7235 -80.088 -53.794 61.613 1.00 0.00 O 
    19640  
    19641 Ignored bad PDB record found on line 148332 
    19642 ATOM 4373c HWS SOL W7235 -79.790 -54.126 62.460 1.00 0.00 H 
    19643  
    19644 Ignored bad PDB record found on line 148333 
    19645 ATOM 4373e HWS SOL W7235 -80.660 -53.058 61.831 1.00 0.00 H 
    19646  
    19647 Duplicate atom serial number found: 43740 
    19648 Duplicate atom serial number found: 43742 
    19649 Duplicate atom serial number found: 43744 
    19650 Duplicate atom serial number found: 43746 
    19651 Duplicate atom serial number found: 43748 
    19652 Ignored bad PDB record found on line 148339 
    19653 ATOM 4374a HWS SOL W7237 -67.656 -67.225 72.148 1.00 0.00 H 
    19654  
    19655 Ignored bad PDB record found on line 148340 
    19656 ATOM 4374c OWS SOL W7238 -52.921 -27.167 65.760 1.00 0.00 O 
    19657  
    19658 Ignored bad PDB record found on line 148341 
    19659 ATOM 4374e HWS SOL W7238 -53.813 -26.863 65.593 1.00 0.00 H 
    19660  
    19661 Duplicate atom serial number found: 43750 
    19662 Duplicate atom serial number found: 43752 
    19663 Duplicate atom serial number found: 43754 
    19664 Duplicate atom serial number found: 43756 
    19665 Ignored bad PDB record found on line 148346 
    19666 ATOM 43758 OWS SOL W723a -67.335 -41.091 55.698 1.00 0.00 O 
    19667  
    19668 Ignored bad PDB record found on line 148347 
    19669 ATOM 4375a HWS SOL W723a -67.468 -42.038 55.756 1.00 0.00 H 
    19670  
    19671 Ignored bad PDB record found on line 148348 
    19672 ATOM 4375c HWS SOL W723a -68.104 -40.715 56.127 1.00 0.00 H 
    19673  
    19674 Ignored bad PDB record found on line 148349 
    19675 ATOM 4375e OWS SOL W723b -59.521 -74.929 72.971 1.00 0.00 O 
    19676  
    19677 Ignored bad PDB record found on line 148350 
    19678 ATOM 43760 HWS SOL W723b -60.165 -75.415 72.455 1.00 0.00 H 
    19679  
    19680 15 messages similar to the above omitted 
    19681 Duplicate atom serial number found: 43780 
    19682 Duplicate atom serial number found: 43782 
    19683 Duplicate atom serial number found: 43784 
    19684 Duplicate atom serial number found: 43786 
    19685 Duplicate atom serial number found: 43788 
    19686 Ignored bad PDB record found on line 148371 
    19687 ATOM 4378a HWS SOL W7242 -37.743 -41.272 58.745 1.00 0.00 H 
    19688  
    19689 Ignored bad PDB record found on line 148372 
    19690 ATOM 4378c HWS SOL W7242 -37.610 -42.688 58.227 1.00 0.00 H 
    19691  
    19692 Ignored bad PDB record found on line 148373 
    19693 ATOM 4378e OWS SOL W7243 -74.112 -69.374 54.750 1.00 0.00 O 
    19694  
    19695 Duplicate atom serial number found: 43790 
    19696 Duplicate atom serial number found: 43792 
    19697 Duplicate atom serial number found: 43794 
    19698 Duplicate atom serial number found: 43796 
    19699 Duplicate atom serial number found: 43798 
    19700 Ignored bad PDB record found on line 148379 
    19701 ATOM 4379a OWS SOL W7245 -50.037 -72.167 69.946 1.00 0.00 O 
    19702  
    19703 Ignored bad PDB record found on line 148380 
    19704 ATOM 4379c HWS SOL W7245 -49.408 -72.806 70.283 1.00 0.00 H 
    19705  
    19706 Ignored bad PDB record found on line 148381 
    19707 ATOM 4379e HWS SOL W7245 -50.152 -71.543 70.663 1.00 0.00 H 
    19708  
    19709 Ignored bad PDB record found on line 148382 
    19710 ATOM 437a0 OWS SOL W7246 -55.887 -34.544 54.700 1.00 0.00 O 
    19711  
    19712 Ignored bad PDB record found on line 148383 
    19713 ATOM 437a2 HWS SOL W7246 -56.359 -34.975 55.413 1.00 0.00 H 
    19714  
    19715 46 messages similar to the above omitted 
    19716 Duplicate atom serial number found: 43800 
    19717 Duplicate atom serial number found: 43802 
    19718 Duplicate atom serial number found: 43804 
    19719 Duplicate atom serial number found: 43806 
    19720 Duplicate atom serial number found: 43808 
    19721 Ignored bad PDB record found on line 148435 
    19722 ATOM 4380a HWS SOL W7258 -69.714 -58.745 74.336 1.00 0.00 H 
    19723  
    19724 Ignored bad PDB record found on line 148436 
    19725 ATOM 4380c OWS SOL W7259 -72.032 -54.626 53.506 1.00 0.00 O 
    19726  
    19727 Ignored bad PDB record found on line 148437 
    19728 ATOM 4380e HWS SOL W7259 -72.216 -54.737 52.574 1.00 0.00 H 
    19729  
    19730 Duplicate atom serial number found: 43810 
    19731 Ignored bad PDB record found on line 148439 
    19732 ATOM 43812 OWS SOL W725a -48.528 -60.849 41.990 1.00 0.00 O 
    19733  
    19734 Ignored bad PDB record found on line 148440 
    19735 ATOM 43814 HWS SOL W725a -47.631 -61.154 41.858 1.00 0.00 H 
    19736  
    19737 Ignored bad PDB record found on line 148441 
    19738 ATOM 43816 HWS SOL W725a -48.435 -59.932 42.250 1.00 0.00 H 
    19739  
    19740 Ignored bad PDB record found on line 148442 
    19741 ATOM 43818 OWS SOL W725b -75.419 -47.397 41.597 1.00 0.00 O 
    19742  
    19743 Ignored bad PDB record found on line 148443 
    19744 ATOM 4381a HWS SOL W725b -74.862 -46.619 41.624 1.00 0.00 H 
    19745  
    19746 13 messages similar to the above omitted 
    19747 Duplicate atom serial number found: 43836 
    19748 Duplicate atom serial number found: 43838 
    19749 Ignored bad PDB record found on line 148459 
    19750 ATOM 4383a HWS SOL W7260 -54.020 -56.427 61.301 1.00 0.00 H 
    19751  
    19752 Ignored bad PDB record found on line 148460 
    19753 ATOM 4383c OWS SOL W7261 -56.833 -35.320 60.850 1.00 0.00 O 
    19754  
    19755 Ignored bad PDB record found on line 148461 
    19756 ATOM 4383e HWS SOL W7261 -57.569 -35.640 60.328 1.00 0.00 H 
    19757  
    19758 Duplicate atom serial number found: 43840 
    19759 Duplicate atom serial number found: 43842 
    19760 Duplicate atom serial number found: 43844 
    19761 Duplicate atom serial number found: 43846 
    19762 Duplicate atom serial number found: 43848 
    19763 Ignored bad PDB record found on line 148467 
    19764 ATOM 4384a HWS SOL W7263 -54.227 -81.679 64.841 1.00 0.00 H 
    19765  
    19766 Ignored bad PDB record found on line 148468 
    19767 ATOM 4384c HWS SOL W7263 -53.150 -80.922 65.589 1.00 0.00 H 
    19768  
    19769 Ignored bad PDB record found on line 148469 
    19770 ATOM 4384e OWS SOL W7264 -63.129 -51.961 70.672 1.00 0.00 O 
    19771  
    19772 Duplicate atom serial number found: 43850 
    19773 Duplicate atom serial number found: 43852 
    19774 Duplicate atom serial number found: 43854 
    19775 Duplicate atom serial number found: 43856 
    19776 Duplicate atom serial number found: 43858 
    19777 Ignored bad PDB record found on line 148475 
    19778 ATOM 4385a OWS SOL W7267 -14.972 -51.286 65.474 1.00 0.00 O 
    19779  
    19780 Ignored bad PDB record found on line 148476 
    19781 ATOM 4385c HWS SOL W7267 -15.307 -51.906 66.121 1.00 0.00 H 
    19782  
    19783 Ignored bad PDB record found on line 148477 
    19784 ATOM 4385e HWS SOL W7267 -15.569 -50.539 65.526 1.00 0.00 H 
    19785  
    19786 Duplicate atom serial number found: 43860 
    19787 Duplicate atom serial number found: 43862 
    19788 Duplicate atom serial number found: 43864 
    19789 Duplicate atom serial number found: 43866 
    19790 Duplicate atom serial number found: 43868 
    19791 Ignored bad PDB record found on line 148483 
    19792 ATOM 4386a HWS SOL W7269 -55.517 -53.745 41.434 1.00 0.00 H 
    19793  
    19794 Ignored bad PDB record found on line 148484 
    19795 ATOM 4386c OWS SOL W726a -42.838 -51.922 62.962 1.00 0.00 O 
    19796  
    19797 Ignored bad PDB record found on line 148485 
    19798 ATOM 4386e HWS SOL W726a -42.914 -52.616 63.616 1.00 0.00 H 
    19799  
    19800 Ignored bad PDB record found on line 148486 
    19801 ATOM 43870 HWS SOL W726a -42.004 -51.496 63.159 1.00 0.00 H 
    19802  
    19803 Ignored bad PDB record found on line 148487 
    19804 ATOM 43872 OWS SOL W726b -50.451 -44.106 70.735 1.00 0.00 O 
    19805  
    19806 14 messages similar to the above omitted 
    19807 Duplicate atom serial number found: 43890 
    19808 Duplicate atom serial number found: 43892 
    19809 Duplicate atom serial number found: 43894 
    19810 Duplicate atom serial number found: 43896 
    19811 Duplicate atom serial number found: 43898 
    19812 Ignored bad PDB record found on line 148507 
    19813 ATOM 4389a HWS SOL W7271 -41.106 -63.557 52.389 1.00 0.00 H 
    19814  
    19815 Ignored bad PDB record found on line 148508 
    19816 ATOM 4389c OWS SOL W7272 -42.999 -63.785 54.894 1.00 0.00 O 
    19817  
    19818 Ignored bad PDB record found on line 148509 
    19819 ATOM 4389e HWS SOL W7272 -43.367 -62.965 55.224 1.00 0.00 H 
    19820  
    19821 Ignored bad PDB record found on line 148510 
    19822 ATOM 438a0 HWS SOL W7272 -42.500 -63.529 54.119 1.00 0.00 H 
    19823  
    19824 Ignored bad PDB record found on line 148511 
    19825 ATOM 438a2 OWS SOL W7273 -43.129 -44.598 52.632 1.00 0.00 O 
    19826  
    19827 46 messages similar to the above omitted 
    19828 Duplicate atom serial number found: 43900 
    19829 Duplicate atom serial number found: 43902 
    19830 Duplicate atom serial number found: 43904 
    19831 Duplicate atom serial number found: 43906 
    19832 Duplicate atom serial number found: 43908 
    19833 Ignored bad PDB record found on line 148563 
    19834 ATOM 4390a HWS SOL W7284 -35.156 -42.921 56.930 1.00 0.00 H 
    19835  
    19836 Ignored bad PDB record found on line 148564 
    19837 ATOM 4390c HWS SOL W7284 -36.062 -43.823 56.120 1.00 0.00 H 
    19838  
    19839 Ignored bad PDB record found on line 148565 
    19840 ATOM 4390e OWS SOL W7285 -68.653 -45.719 58.232 1.00 0.00 O 
    19841  
    19842 Duplicate atom serial number found: 43910 
    19843 Duplicate atom serial number found: 43912 
    19844 Duplicate atom serial number found: 43914 
    19845 Duplicate atom serial number found: 43916 
    19846 Duplicate atom serial number found: 43918 
    19847 Ignored bad PDB record found on line 148571 
    19848 ATOM 4391a OWS SOL W7287 -52.669 -48.193 61.613 1.00 0.00 O 
    19849  
    19850 Ignored bad PDB record found on line 148572 
    19851 ATOM 4391c HWS SOL W7287 -53.610 -48.156 61.789 1.00 0.00 H 
    19852  
    19853 Ignored bad PDB record found on line 148573 
    19854 ATOM 4391e HWS SOL W7287 -52.511 -47.475 61.001 1.00 0.00 H 
    19855  
    19856 Duplicate atom serial number found: 43920 
    19857 Duplicate atom serial number found: 43922 
    19858 Duplicate atom serial number found: 43924 
    19859 Duplicate atom serial number found: 43926 
    19860 Duplicate atom serial number found: 43928 
    19861 Ignored bad PDB record found on line 148579 
    19862 ATOM 4392a HWS SOL W7289 -62.561 -86.996 37.326 1.00 0.00 H 
    19863  
    19864 Ignored bad PDB record found on line 148580 
    19865 ATOM 4392c OWS SOL W728a -51.453 -39.373 59.456 1.00 0.00 O 
    19866  
    19867 Ignored bad PDB record found on line 148581 
    19868 ATOM 4392e HWS SOL W728a -51.546 -39.148 60.382 1.00 0.00 H 
    19869  
    19870 Ignored bad PDB record found on line 148582 
    19871 ATOM 43930 HWS SOL W728a -52.331 -39.638 59.183 1.00 0.00 H 
    19872  
    19873 Ignored bad PDB record found on line 148583 
    19874 ATOM 43932 OWS SOL W728b -70.377 -70.837 51.732 1.00 0.00 O 
    19875  
    19876 14 messages similar to the above omitted 
    19877 Duplicate atom serial number found: 43950 
    19878 Duplicate atom serial number found: 43952 
    19879 Duplicate atom serial number found: 43954 
    19880 Duplicate atom serial number found: 43956 
    19881 Duplicate atom serial number found: 43958 
    19882 Ignored bad PDB record found on line 148603 
    19883 ATOM 4395a HWS SOL W7291 -54.779 -51.669 62.243 1.00 0.00 H 
    19884  
    19885 Ignored bad PDB record found on line 148604 
    19886 ATOM 4395c OWS SOL W7292 -48.353 -74.793 72.600 1.00 0.00 O 
    19887  
    19888 Ignored bad PDB record found on line 148605 
    19889 ATOM 4395e HWS SOL W7292 -47.965 -75.114 73.414 1.00 0.00 H 
    19890  
    19891 Duplicate atom serial number found: 43960 
    19892 Duplicate atom serial number found: 43962 
    19893 Duplicate atom serial number found: 43964 
    19894 Duplicate atom serial number found: 43966 
    19895 Duplicate atom serial number found: 43968 
    19896 Ignored bad PDB record found on line 148611 
    19897 ATOM 4396a HWS SOL W7294 -57.101 -37.517 54.834 1.00 0.00 H 
    19898  
    19899 Ignored bad PDB record found on line 148612 
    19900 ATOM 4396c HWS SOL W7294 -58.091 -38.542 54.323 1.00 0.00 H 
    19901  
    19902 Ignored bad PDB record found on line 148613 
    19903 ATOM 4396e OWS SOL W7295 -46.491 -29.499 68.891 1.00 0.00 O 
    19904  
    19905 Duplicate atom serial number found: 43970 
    19906 Duplicate atom serial number found: 43972 
    19907 Duplicate atom serial number found: 43974 
    19908 Duplicate atom serial number found: 43976 
    19909 Duplicate atom serial number found: 43978 
    19910 Ignored bad PDB record found on line 148619 
    19911 ATOM 4397a OWS SOL W7297 -67.869 -55.365 58.005 1.00 0.00 O 
    19912  
    19913 Ignored bad PDB record found on line 148620 
    19914 ATOM 4397c HWS SOL W7297 -67.140 -54.803 57.744 1.00 0.00 H 
    19915  
    19916 Ignored bad PDB record found on line 148621 
    19917 ATOM 4397e HWS SOL W7297 -67.453 -56.151 58.358 1.00 0.00 H 
    19918  
    19919 Duplicate atom serial number found: 43980 
    19920 Duplicate atom serial number found: 43982 
    19921 Duplicate atom serial number found: 43984 
    19922 Duplicate atom serial number found: 43986 
    19923 Duplicate atom serial number found: 43988 
    19924 Ignored bad PDB record found on line 148627 
    19925 ATOM 4398a HWS SOL W7299 -67.874 -67.318 45.534 1.00 0.00 H 
    19926  
    19927 Ignored bad PDB record found on line 148628 
    19928 ATOM 4398c OWS SOL W729a -70.355 -50.610 46.456 1.00 0.00 O 
    19929  
    19930 Ignored bad PDB record found on line 148629 
    19931 ATOM 4398e HWS SOL W729a -70.562 -50.434 47.373 1.00 0.00 H 
    19932  
    19933 Ignored bad PDB record found on line 148630 
    19934 ATOM 43990 HWS SOL W729a -70.205 -51.555 46.420 1.00 0.00 H 
    19935  
    19936 Ignored bad PDB record found on line 148631 
    19937 ATOM 43992 OWS SOL W729b -50.663 -58.252 33.868 1.00 0.00 O 
    19938  
    19939 1078 messages similar to the above omitted 
    19940 Duplicate atom serial number found: 44200 
    19941 Duplicate atom serial number found: 44202 
    19942 Duplicate atom serial number found: 44204 
    19943 Duplicate atom serial number found: 44206 
    19944 Duplicate atom serial number found: 44208 
    19945 Ignored bad PDB record found on line 149715 
    19946 ATOM 4420a HWS SOL W7406 -47.120 -61.356 86.384 1.00 0.00 H 
    19947  
    19948 Ignored bad PDB record found on line 149716 
    19949 ATOM 4420c HWS SOL W7406 -46.457 -62.607 86.919 1.00 0.00 H 
    19950  
    19951 Ignored bad PDB record found on line 149717 
    19952 ATOM 4420e OWS SOL W7407 -82.163 -44.824 -78.630 1.00 0.00 O 
    19953  
    19954 Duplicate atom serial number found: 44210 
    19955 Duplicate atom serial number found: 44212 
    19956 Duplicate atom serial number found: 44214 
    19957 Duplicate atom serial number found: 44216 
    19958 Duplicate atom serial number found: 44218 
    19959 Ignored bad PDB record found on line 149723 
    19960 ATOM 4421a OWS SOL W7409 -83.793 -52.800 -85.200 1.00 0.00 O 
    19961  
    19962 Ignored bad PDB record found on line 149724 
    19963 ATOM 4421c HWS SOL W7409 -84.669 -52.452 -85.361 1.00 0.00 H 
    19964  
    19965 Ignored bad PDB record found on line 149725 
    19966 ATOM 4421e HWS SOL W7409 -83.420 -52.925 -86.072 1.00 0.00 H 
    19967  
    19968 Ignored bad PDB record found on line 149726 
    19969 ATOM 44220 OWS SOL W740a -52.113 -30.539 -86.282 1.00 0.00 O 
    19970  
    19971 Ignored bad PDB record found on line 149727 
    19972 ATOM 44222 HWS SOL W740a -52.320 -29.944 -85.562 1.00 0.00 H 
    19973  
    19974 16 messages similar to the above omitted 
    19975 Duplicate atom serial number found: 44244 
    19976 Duplicate atom serial number found: 44246 
    19977 Duplicate atom serial number found: 44248 
    19978 Ignored bad PDB record found on line 149747 
    19979 ATOM 4424a OWS SOL W7411 -70.354 -73.722 89.620 1.00 0.00 O 
    19980  
    19981 Ignored bad PDB record found on line 149748 
    19982 ATOM 4424c HWS SOL W7411 -71.004 -74.414 89.735 1.00 0.00 H 
    19983  
    19984 Ignored bad PDB record found on line 149749 
    19985 ATOM 4424e HWS SOL W7411 -70.559 -73.340 88.766 1.00 0.00 H 
    19986  
    19987 Duplicate atom serial number found: 44250 
    19988 Duplicate atom serial number found: 44252 
    19989 Duplicate atom serial number found: 44254 
    19990 Duplicate atom serial number found: 44256 
    19991 Duplicate atom serial number found: 44258 
    19992 Ignored bad PDB record found on line 149755 
    19993 ATOM 4425a HWS SOL W7413 -54.381 -54.783 69.380 1.00 0.00 H 
    19994  
    19995 Ignored bad PDB record found on line 149756 
    19996 ATOM 4425c OWS SOL W7414 -55.886 -51.807 78.737 1.00 0.00 O 
    19997  
    19998 Ignored bad PDB record found on line 149757 
    19999 ATOM 4425e HWS SOL W7414 -56.056 -51.880 79.677 1.00 0.00 H 
    20000  
    20001 Duplicate atom serial number found: 44260 
    20002 Duplicate atom serial number found: 44262 
    20003 Duplicate atom serial number found: 44264 
    20004 Duplicate atom serial number found: 44266 
    20005 Duplicate atom serial number found: 44268 
    20006 Ignored bad PDB record found on line 149763 
    20007 ATOM 4426a HWS SOL W7416 -31.981 -34.405 78.666 1.00 0.00 H 
    20008  
    20009 Ignored bad PDB record found on line 149764 
    20010 ATOM 4426c HWS SOL W7416 -33.032 -34.445 77.577 1.00 0.00 H 
    20011  
    20012 Ignored bad PDB record found on line 149765 
    20013 ATOM 4426e OWS SOL W7417 -48.250 -78.096 57.466 1.00 0.00 O 
    20014  
    20015 Duplicate atom serial number found: 44270 
    20016 Duplicate atom serial number found: 44272 
    20017 Duplicate atom serial number found: 44274 
    20018 Duplicate atom serial number found: 44276 
    20019 Duplicate atom serial number found: 44278 
    20020 Ignored bad PDB record found on line 149771 
    20021 ATOM 4427a OWS SOL W7419 -65.556 -70.718 69.676 1.00 0.00 O 
    20022  
    20023 Ignored bad PDB record found on line 149772 
    20024 ATOM 4427c HWS SOL W7419 -65.791 -71.283 68.940 1.00 0.00 H 
    20025  
    20026 Ignored bad PDB record found on line 149773 
    20027 ATOM 4427e HWS SOL W7419 -66.382 -70.567 70.136 1.00 0.00 H 
    20028  
    20029 Ignored bad PDB record found on line 149774 
    20030 ATOM 44280 OWS SOL W741a -70.981 -52.348 -86.591 1.00 0.00 O 
    20031  
    20032 Ignored bad PDB record found on line 149775 
    20033 ATOM 44282 HWS SOL W741a -71.840 -52.233 -86.998 1.00 0.00 H 
    20034  
    20035 64 messages similar to the above omitted 
    20036 Duplicate atom serial number found: 44304 
    20037 Duplicate atom serial number found: 44306 
    20038 Duplicate atom serial number found: 44308 
    20039 Ignored bad PDB record found on line 149843 
    20040 ATOM 4430a OWS SOL W7431 -47.491 -64.352 82.125 1.00 0.00 O 
    20041  
    20042 Ignored bad PDB record found on line 149844 
    20043 ATOM 4430c HWS SOL W7431 -46.567 -64.305 81.883 1.00 0.00 H 
    20044  
    20045 Ignored bad PDB record found on line 149845 
    20046 ATOM 4430e HWS SOL W7431 -47.485 -64.569 83.057 1.00 0.00 H 
    20047  
    20048 Duplicate atom serial number found: 44310 
    20049 Duplicate atom serial number found: 44312 
    20050 Duplicate atom serial number found: 44314 
    20051 Duplicate atom serial number found: 44316 
    20052 Duplicate atom serial number found: 44318 
    20053 Ignored bad PDB record found on line 149851 
    20054 ATOM 4431a HWS SOL W7433 -46.763 -39.877 73.852 1.00 0.00 H 
    20055  
    20056 Ignored bad PDB record found on line 149852 
    20057 ATOM 4431c OWS SOL W7434 -53.190 -81.844 -78.708 1.00 0.00 O 
    20058  
    20059 Ignored bad PDB record found on line 149853 
    20060 ATOM 4431e HWS SOL W7434 -54.017 -81.789 -79.186 1.00 0.00 H 
    20061  
    20062 Duplicate atom serial number found: 44320 
    20063 Duplicate atom serial number found: 44322 
    20064 Duplicate atom serial number found: 44324 
    20065 Duplicate atom serial number found: 44326 
    20066 Duplicate atom serial number found: 44328 
    20067 Ignored bad PDB record found on line 149859 
    20068 ATOM 4432a HWS SOL W7436 -62.526 -55.068 85.193 1.00 0.00 H 
    20069  
    20070 Ignored bad PDB record found on line 149860 
    20071 ATOM 4432c HWS SOL W7436 -63.324 -54.001 85.911 1.00 0.00 H 
    20072  
    20073 Ignored bad PDB record found on line 149861 
    20074 ATOM 4432e OWS SOL W7437 -47.925 -58.597 86.187 1.00 0.00 O 
    20075  
    20076 Duplicate atom serial number found: 44330 
    20077 Duplicate atom serial number found: 44332 
    20078 Duplicate atom serial number found: 44334 
    20079 Duplicate atom serial number found: 44336 
    20080 Duplicate atom serial number found: 44338 
    20081 Ignored bad PDB record found on line 149867 
    20082 ATOM 4433a OWS SOL W7439 -68.157 -41.415 50.222 1.00 0.00 O 
    20083  
    20084 Ignored bad PDB record found on line 149868 
    20085 ATOM 4433c HWS SOL W7439 -67.378 -41.925 50.445 1.00 0.00 H 
    20086  
    20087 Ignored bad PDB record found on line 149869 
    20088 ATOM 4433e HWS SOL W7439 -68.481 -41.091 51.062 1.00 0.00 H 
    20089  
    20090 Ignored bad PDB record found on line 149870 
    20091 ATOM 44340 OWS SOL W743a -44.322 -50.856 77.272 1.00 0.00 O 
    20092  
    20093 Ignored bad PDB record found on line 149871 
    20094 ATOM 44342 HWS SOL W743a -43.498 -51.343 77.269 1.00 0.00 H 
    20095  
    20096 16 messages similar to the above omitted 
    20097 Duplicate atom serial number found: 44364 
    20098 Duplicate atom serial number found: 44366 
    20099 Duplicate atom serial number found: 44368 
    20100 Ignored bad PDB record found on line 149891 
    20101 ATOM 4436a OWS SOL W7441 -29.078 -34.965 -79.668 1.00 0.00 O 
    20102  
    20103 Ignored bad PDB record found on line 149892 
    20104 ATOM 4436c HWS SOL W7441 -28.559 -34.187 -79.462 1.00 0.00 H 
    20105  
    20106 Ignored bad PDB record found on line 149893 
    20107 ATOM 4436e HWS SOL W7441 -28.602 -35.686 -79.257 1.00 0.00 H 
    20108  
    20109 Duplicate atom serial number found: 44370 
    20110 Duplicate atom serial number found: 44372 
    20111 Duplicate atom serial number found: 44374 
    20112 Duplicate atom serial number found: 44376 
    20113 Duplicate atom serial number found: 44378 
    20114 Ignored bad PDB record found on line 149899 
    20115 ATOM 4437a HWS SOL W7443 -23.752 -57.469 -87.474 1.00 0.00 H 
    20116  
    20117 Ignored bad PDB record found on line 149900 
    20118 ATOM 4437c OWS SOL W7444 -61.742 -39.968 80.752 1.00 0.00 O 
    20119  
    20120 Ignored bad PDB record found on line 149901 
    20121 ATOM 4437e HWS SOL W7444 -61.331 -39.535 81.500 1.00 0.00 H 
    20122  
    20123 Duplicate atom serial number found: 44380 
    20124 Duplicate atom serial number found: 44382 
    20125 Duplicate atom serial number found: 44384 
    20126 Duplicate atom serial number found: 44386 
    20127 Duplicate atom serial number found: 44388 
    20128 Ignored bad PDB record found on line 149907 
    20129 ATOM 4438a HWS SOL W7446 -48.039 -38.896 88.089 1.00 0.00 H 
    20130  
    20131 Ignored bad PDB record found on line 149908 
    20132 ATOM 4438c HWS SOL W7446 -49.483 -39.253 87.807 1.00 0.00 H 
    20133  
    20134 Ignored bad PDB record found on line 149909 
    20135 ATOM 4438e OWS SOL W7447 -62.672 -81.912 67.650 1.00 0.00 O 
    20136  
    20137 Duplicate atom serial number found: 44390 
    20138 Duplicate atom serial number found: 44392 
    20139 Duplicate atom serial number found: 44394 
    20140 Duplicate atom serial number found: 44396 
    20141 Duplicate atom serial number found: 44398 
    20142 Ignored bad PDB record found on line 149915 
    20143 ATOM 4439a OWS SOL W7449 -52.296 -25.529 -75.275 1.00 0.00 O 
    20144  
    20145 Ignored bad PDB record found on line 149916 
    20146 ATOM 4439c HWS SOL W7449 -52.948 -26.151 -75.598 1.00 0.00 H 
    20147  
    20148 Ignored bad PDB record found on line 149917 
    20149 ATOM 4439e HWS SOL W7449 -51.800 -26.019 -74.619 1.00 0.00 H 
    20150  
    20151 Ignored bad PDB record found on line 149918 
    20152 ATOM 443a0 OWS SOL W744a -69.372 -42.179 66.687 1.00 0.00 O 
    20153  
    20154 Ignored bad PDB record found on line 149919 
    20155 ATOM 443a2 HWS SOL W744a -69.023 -42.389 67.553 1.00 0.00 H 
    20156  
    20157 62 messages similar to the above omitted 
    20158 Duplicate atom serial number found: 44420 
    20159 Duplicate atom serial number found: 44422 
    20160 Duplicate atom serial number found: 44424 
    20161 Duplicate atom serial number found: 44426 
    20162 Duplicate atom serial number found: 44428 
    20163 Ignored bad PDB record found on line 149987 
    20164 ATOM 4442a OWS SOL W7462 -65.277 -42.687 67.234 1.00 0.00 O 
    20165  
    20166 Ignored bad PDB record found on line 149988 
    20167 ATOM 4442c HWS SOL W7462 -65.925 -42.125 66.810 1.00 0.00 H 
    20168  
    20169 Ignored bad PDB record found on line 149989 
    20170 ATOM 4442e HWS SOL W7462 -65.039 -43.327 66.564 1.00 0.00 H 
    20171  
    20172 Duplicate atom serial number found: 44430 
    20173 Duplicate atom serial number found: 44432 
    20174 Duplicate atom serial number found: 44434 
    20175 Duplicate atom serial number found: 44436 
    20176 Duplicate atom serial number found: 44438 
    20177 Ignored bad PDB record found on line 149995 
    20178 ATOM 4443a HWS SOL W7464 -44.765 -63.539 52.952 1.00 0.00 H 
    20179  
    20180 Ignored bad PDB record found on line 149996 
    20181 ATOM 4443c OWS SOL W7465 -42.288 -61.362 79.440 1.00 0.00 O 
    20182  
    20183 Ignored bad PDB record found on line 149997 
    20184 ATOM 4443e HWS SOL W7465 -41.702 -60.709 79.821 1.00 0.00 H 
    20185  
    20186 Duplicate atom serial number found: 44440 
    20187 Duplicate atom serial number found: 44442 
    20188 Duplicate atom serial number found: 44444 
    20189 Duplicate atom serial number found: 44446 
    20190 Duplicate atom serial number found: 44448 
    20191 Ignored bad PDB record found on line 150003 
    20192 ATOM 4444a HWS SOL W7467 -52.221 -58.553 79.199 1.00 0.00 H 
    20193  
    20194 Ignored bad PDB record found on line 150004 
    20195 ATOM 4444c HWS SOL W7467 -51.345 -58.124 80.356 1.00 0.00 H 
    20196  
    20197 Ignored bad PDB record found on line 150005 
    20198 ATOM 4444e OWS SOL W7468 -71.627 -52.119 -82.419 1.00 0.00 O 
    20199  
    20200 Duplicate atom serial number found: 44450 
    20201 Duplicate atom serial number found: 44452 
    20202 Duplicate atom serial number found: 44454 
    20203 Duplicate atom serial number found: 44456 
    20204 Duplicate atom serial number found: 44458 
    20205 Ignored bad PDB record found on line 150011 
    20206 ATOM 4445a OWS SOL W746a -70.615 -52.877 80.699 1.00 0.00 O 
    20207  
    20208 Ignored bad PDB record found on line 150012 
    20209 ATOM 4445c HWS SOL W746a -71.347 -52.268 80.606 1.00 0.00 H 
    20210  
    20211 Ignored bad PDB record found on line 150013 
    20212 ATOM 4445e HWS SOL W746a -70.094 -52.750 79.906 1.00 0.00 H 
    20213  
    20214 Ignored bad PDB record found on line 150014 
    20215 ATOM 44460 OWS SOL W746b -58.753 -49.388 70.804 1.00 0.00 O 
    20216  
    20217 Ignored bad PDB record found on line 150015 
    20218 ATOM 44462 HWS SOL W746b -59.063 -48.607 70.346 1.00 0.00 H 
    20219  
    20220 14 messages similar to the above omitted 
    20221 Duplicate atom serial number found: 44480 
    20222 Duplicate atom serial number found: 44482 
    20223 Duplicate atom serial number found: 44484 
    20224 Duplicate atom serial number found: 44486 
    20225 Duplicate atom serial number found: 44488 
    20226 Ignored bad PDB record found on line 150035 
    20227 ATOM 4448a OWS SOL W7472 -77.553 -63.226 61.451 1.00 0.00 O 
    20228  
    20229 Ignored bad PDB record found on line 150036 
    20230 ATOM 4448c HWS SOL W7472 -76.916 -62.529 61.607 1.00 0.00 H 
    20231  
    20232 Ignored bad PDB record found on line 150037 
    20233 ATOM 4448e HWS SOL W7472 -77.182 -63.993 61.887 1.00 0.00 H 
    20234  
    20235 Duplicate atom serial number found: 44490 
    20236 Duplicate atom serial number found: 44492 
    20237 Duplicate atom serial number found: 44494 
    20238 Duplicate atom serial number found: 44496 
    20239 Duplicate atom serial number found: 44498 
    20240 Ignored bad PDB record found on line 150043 
    20241 ATOM 4449a HWS SOL W7474 -56.157 -52.512 74.499 1.00 0.00 H 
    20242  
    20243 Ignored bad PDB record found on line 150044 
    20244 ATOM 4449c OWS SOL W7475 -83.093 -46.182 56.240 1.00 0.00 O 
    20245  
    20246 Ignored bad PDB record found on line 150045 
    20247 ATOM 4449e HWS SOL W7475 -83.538 -46.538 57.009 1.00 0.00 H 
    20248  
    20249 Ignored bad PDB record found on line 150046 
    20250 ATOM 444a0 HWS SOL W7475 -82.260 -46.652 56.205 1.00 0.00 H 
    20251  
    20252 Ignored bad PDB record found on line 150047 
    20253 ATOM 444a2 OWS SOL W7476 -37.054 -44.401 87.876 1.00 0.00 O 
    20254  
    20255 46 messages similar to the above omitted 
    20256 Duplicate atom serial number found: 44500 
    20257 Duplicate atom serial number found: 44502 
    20258 Duplicate atom serial number found: 44504 
    20259 Duplicate atom serial number found: 44506 
    20260 Duplicate atom serial number found: 44508 
    20261 Ignored bad PDB record found on line 150099 
    20262 ATOM 4450a HWS SOL W7487 -44.462 -56.141 78.531 1.00 0.00 H 
    20263  
    20264 Ignored bad PDB record found on line 150100 
    20265 ATOM 4450c HWS SOL W7487 -43.989 -56.023 79.964 1.00 0.00 H 
    20266  
    20267 Ignored bad PDB record found on line 150101 
    20268 ATOM 4450e OWS SOL W7488 -83.881 -55.610 -76.755 1.00 0.00 O 
    20269  
    20270 Duplicate atom serial number found: 44510 
    20271 Duplicate atom serial number found: 44512 
    20272 Duplicate atom serial number found: 44514 
    20273 Duplicate atom serial number found: 44516 
    20274 Duplicate atom serial number found: 44518 
    20275 Ignored bad PDB record found on line 150107 
    20276 ATOM 4451a OWS SOL W748a -59.496 -60.062 79.790 1.00 0.00 O 
    20277  
    20278 Ignored bad PDB record found on line 150108 
    20279 ATOM 4451c HWS SOL W748a -59.827 -60.660 80.460 1.00 0.00 H 
    20280  
    20281 Ignored bad PDB record found on line 150109 
    20282 ATOM 4451e HWS SOL W748a -60.262 -59.556 79.520 1.00 0.00 H 
    20283  
    20284 Ignored bad PDB record found on line 150110 
    20285 ATOM 44520 OWS SOL W748b -36.676 -20.222 -72.961 1.00 0.00 O 
    20286  
    20287 Ignored bad PDB record found on line 150111 
    20288 ATOM 44522 HWS SOL W748b -35.818 -20.446 -73.321 1.00 0.00 H 
    20289  
    20290 14 messages similar to the above omitted 
    20291 Duplicate atom serial number found: 44540 
    20292 Duplicate atom serial number found: 44542 
    20293 Duplicate atom serial number found: 44544 
    20294 Duplicate atom serial number found: 44546 
    20295 Duplicate atom serial number found: 44548 
    20296 Ignored bad PDB record found on line 150131 
    20297 ATOM 4454a OWS SOL W7492 -61.639 -58.347 79.507 1.00 0.00 O 
    20298  
    20299 Ignored bad PDB record found on line 150132 
    20300 ATOM 4454c HWS SOL W7492 -62.121 -57.632 79.922 1.00 0.00 H 
    20301  
    20302 Ignored bad PDB record found on line 150133 
    20303 ATOM 4454e HWS SOL W7492 -61.535 -58.070 78.597 1.00 0.00 H 
    20304  
    20305 Duplicate atom serial number found: 44550 
    20306 Duplicate atom serial number found: 44552 
    20307 Duplicate atom serial number found: 44554 
    20308 Duplicate atom serial number found: 44556 
    20309 Duplicate atom serial number found: 44558 
    20310 Ignored bad PDB record found on line 150139 
    20311 ATOM 4455a HWS SOL W7494 -51.090 -33.346 85.469 1.00 0.00 H 
    20312  
    20313 Ignored bad PDB record found on line 150140 
    20314 ATOM 4455c OWS SOL W7495 -57.762 -56.902 57.922 1.00 0.00 O 
    20315  
    20316 Ignored bad PDB record found on line 150141 
    20317 ATOM 4455e HWS SOL W7495 -57.933 -55.988 58.147 1.00 0.00 H 
    20318  
    20319 Duplicate atom serial number found: 44560 
    20320 Duplicate atom serial number found: 44562 
    20321 Duplicate atom serial number found: 44564 
    20322 Duplicate atom serial number found: 44566 
    20323 Duplicate atom serial number found: 44568 
    20324 Ignored bad PDB record found on line 150147 
    20325 ATOM 4456a HWS SOL W7497 -57.010 -61.522 74.293 1.00 0.00 H 
    20326  
    20327 Ignored bad PDB record found on line 150148 
    20328 ATOM 4456c HWS SOL W7497 -58.306 -61.568 75.073 1.00 0.00 H 
    20329  
    20330 Ignored bad PDB record found on line 150149 
    20331 ATOM 4456e OWS SOL W7498 -58.465 -69.842 78.023 1.00 0.00 O 
    20332  
    20333 Duplicate atom serial number found: 44570 
    20334 Duplicate atom serial number found: 44572 
    20335 Duplicate atom serial number found: 44574 
    20336 Duplicate atom serial number found: 44576 
    20337 Duplicate atom serial number found: 44578 
    20338 Ignored bad PDB record found on line 150155 
    20339 ATOM 4457a OWS SOL W749a -55.861 -76.377 63.201 1.00 0.00 O 
    20340  
    20341 Ignored bad PDB record found on line 150156 
    20342 ATOM 4457c HWS SOL W749a -55.841 -77.330 63.285 1.00 0.00 H 
    20343  
    20344 Ignored bad PDB record found on line 150157 
    20345 ATOM 4457e HWS SOL W749a -55.026 -76.155 62.789 1.00 0.00 H 
    20346  
    20347 Ignored bad PDB record found on line 150158 
    20348 ATOM 44580 OWS SOL W749b -25.084 -41.848 74.863 1.00 0.00 O 
    20349  
    20350 Ignored bad PDB record found on line 150159 
    20351 ATOM 44582 HWS SOL W749b -25.313 -42.483 74.184 1.00 0.00 H 
    20352  
    20353 318 messages similar to the above omitted 
    20354 Duplicate atom serial number found: 44800 
    20355 Duplicate atom serial number found: 44802 
    20356 Duplicate atom serial number found: 44804 
    20357 Duplicate atom serial number found: 44806 
    20358 Duplicate atom serial number found: 44808 
    20359 Ignored bad PDB record found on line 150483 
    20360 ATOM 4480a HWS SOL W7507 -35.434 -64.004 79.318 1.00 0.00 H 
    20361  
    20362 Ignored bad PDB record found on line 150484 
    20363 ATOM 4480c HWS SOL W7507 -34.325 -65.019 79.493 1.00 0.00 H 
    20364  
    20365 Ignored bad PDB record found on line 150485 
    20366 ATOM 4480e OWS SOL W7508 -48.193 -63.797 -85.159 1.00 0.00 O 
    20367  
    20368 Duplicate atom serial number found: 44810 
    20369 Duplicate atom serial number found: 44812 
    20370 Duplicate atom serial number found: 44814 
    20371 Duplicate atom serial number found: 44816 
    20372 Duplicate atom serial number found: 44818 
    20373 Ignored bad PDB record found on line 150491 
    20374 ATOM 4481a OWS SOL W750a -45.346 -41.715 75.997 1.00 0.00 O 
    20375  
    20376 Ignored bad PDB record found on line 150492 
    20377 ATOM 4481c HWS SOL W750a -45.873 -41.890 76.777 1.00 0.00 H 
    20378  
    20379 Ignored bad PDB record found on line 150493 
    20380 ATOM 4481e HWS SOL W750a -44.492 -41.450 76.338 1.00 0.00 H 
    20381  
    20382 Ignored bad PDB record found on line 150494 
    20383 ATOM 44820 OWS SOL W750b -62.823 -78.756 69.998 1.00 0.00 O 
    20384  
    20385 Ignored bad PDB record found on line 150495 
    20386 ATOM 44822 HWS SOL W750b -62.111 -79.387 69.898 1.00 0.00 H 
    20387  
    20388 14 messages similar to the above omitted 
    20389 Duplicate atom serial number found: 44840 
    20390 Duplicate atom serial number found: 44842 
    20391 Duplicate atom serial number found: 44844 
    20392 Duplicate atom serial number found: 44846 
    20393 Duplicate atom serial number found: 44848 
    20394 Ignored bad PDB record found on line 150515 
    20395 ATOM 4484a OWS SOL W7512 -68.507 -62.421 -80.718 1.00 0.00 O 
    20396  
    20397 Ignored bad PDB record found on line 150516 
    20398 ATOM 4484c HWS SOL W7512 -67.989 -61.907 -81.338 1.00 0.00 H 
    20399  
    20400 Ignored bad PDB record found on line 150517 
    20401 ATOM 4484e HWS SOL W7512 -69.298 -62.657 -81.203 1.00 0.00 H 
    20402  
    20403 Duplicate atom serial number found: 44850 
    20404 Duplicate atom serial number found: 44852 
    20405 Duplicate atom serial number found: 44854 
    20406 Duplicate atom serial number found: 44856 
    20407 Duplicate atom serial number found: 44858 
    20408 Ignored bad PDB record found on line 150523 
    20409 ATOM 4485a HWS SOL W7514 -54.967 -68.941 62.378 1.00 0.00 H 
    20410  
    20411 Ignored bad PDB record found on line 150524 
    20412 ATOM 4485c OWS SOL W7515 -71.365 -72.307 78.850 1.00 0.00 O 
    20413  
    20414 Ignored bad PDB record found on line 150525 
    20415 ATOM 4485e HWS SOL W7515 -70.559 -72.802 78.999 1.00 0.00 H 
    20416  
    20417 Duplicate atom serial number found: 44860 
    20418 Duplicate atom serial number found: 44862 
    20419 Duplicate atom serial number found: 44864 
    20420 Duplicate atom serial number found: 44866 
    20421 Duplicate atom serial number found: 44868 
    20422 Ignored bad PDB record found on line 150531 
    20423 ATOM 4486a HWS SOL W7517 -41.746 -44.860 76.377 1.00 0.00 H 
    20424  
    20425 Ignored bad PDB record found on line 150532 
    20426 ATOM 4486c HWS SOL W7517 -43.123 -44.723 75.764 1.00 0.00 H 
    20427  
    20428 Ignored bad PDB record found on line 150533 
    20429 ATOM 4486e OWS SOL W7518 -62.808 -12.591 84.700 1.00 0.00 O 
    20430  
    20431 Duplicate atom serial number found: 44870 
    20432 Duplicate atom serial number found: 44872 
    20433 Duplicate atom serial number found: 44874 
    20434 Duplicate atom serial number found: 44876 
    20435 Duplicate atom serial number found: 44878 
    20436 Ignored bad PDB record found on line 150539 
    20437 ATOM 4487a OWS SOL W751a -88.767 -66.016 86.533 1.00 0.00 O 
    20438  
    20439 Ignored bad PDB record found on line 150540 
    20440 ATOM 4487c HWS SOL W751a -88.502 -66.890 86.818 1.00 0.00 H 
    20441  
    20442 Ignored bad PDB record found on line 150541 
    20443 ATOM 4487e HWS SOL W751a -87.948 -65.526 86.465 1.00 0.00 H 
    20444  
    20445 Ignored bad PDB record found on line 150542 
    20446 ATOM 44880 OWS SOL W751b -58.902 -62.405 88.336 1.00 0.00 O 
    20447  
    20448 Ignored bad PDB record found on line 150543 
    20449 ATOM 44882 HWS SOL W751b -58.693 -63.235 88.764 1.00 0.00 H 
    20450  
    20451 62 messages similar to the above omitted 
    20452 Duplicate atom serial number found: 44900 
    20453 Duplicate atom serial number found: 44902 
    20454 Duplicate atom serial number found: 44904 
    20455 Duplicate atom serial number found: 44906 
    20456 Duplicate atom serial number found: 44908 
    20457 Ignored bad PDB record found on line 150611 
    20458 ATOM 4490a OWS SOL W7532 89.037 -43.077 81.877 1.00 0.00 O 
    20459  
    20460 Ignored bad PDB record found on line 150612 
    20461 ATOM 4490c HWS SOL W7532 89.608 -42.933 81.122 1.00 0.00 H 
    20462  
    20463 Ignored bad PDB record found on line 150613 
    20464 ATOM 4490e HWS SOL W7532 89.432 -43.816 82.339 1.00 0.00 H 
    20465  
    20466 Duplicate atom serial number found: 44910 
    20467 Duplicate atom serial number found: 44912 
    20468 Duplicate atom serial number found: 44914 
    20469 Duplicate atom serial number found: 44916 
    20470 Duplicate atom serial number found: 44918 
    20471 Ignored bad PDB record found on line 150619 
    20472 ATOM 4491a HWS SOL W7534 -76.464 -63.257 82.993 1.00 0.00 H 
    20473  
    20474 Ignored bad PDB record found on line 150620 
    20475 ATOM 4491c OWS SOL W7535 -40.240 -33.676 -77.836 1.00 0.00 O 
    20476  
    20477 Ignored bad PDB record found on line 150621 
    20478 ATOM 4491e HWS SOL W7535 -40.910 -34.109 -78.365 1.00 0.00 H 
    20479  
    20480 Duplicate atom serial number found: 44920 
    20481 Duplicate atom serial number found: 44922 
    20482 Duplicate atom serial number found: 44924 
    20483 Duplicate atom serial number found: 44926 
    20484 Duplicate atom serial number found: 44928 
    20485 Ignored bad PDB record found on line 150627 
    20486 ATOM 4492a HWS SOL W7537 -51.311 -79.032 -81.347 1.00 0.00 H 
    20487  
    20488 Ignored bad PDB record found on line 150628 
    20489 ATOM 4492c HWS SOL W7537 -51.332 -79.122 -79.836 1.00 0.00 H 
    20490  
    20491 Ignored bad PDB record found on line 150629 
    20492 ATOM 4492e OWS SOL W7538 -59.292 -47.045 86.167 1.00 0.00 O 
    20493  
    20494 Duplicate atom serial number found: 44930 
    20495 Duplicate atom serial number found: 44932 
    20496 Duplicate atom serial number found: 44934 
    20497 Duplicate atom serial number found: 44936 
    20498 Duplicate atom serial number found: 44938 
    20499 Ignored bad PDB record found on line 150635 
    20500 ATOM 4493a OWS SOL W753a -55.232 -62.740 85.113 1.00 0.00 O 
    20501  
    20502 Ignored bad PDB record found on line 150636 
    20503 ATOM 4493c HWS SOL W753a -54.391 -62.880 85.550 1.00 0.00 H 
    20504  
    20505 Ignored bad PDB record found on line 150637 
    20506 ATOM 4493e HWS SOL W753a -55.576 -61.938 85.507 1.00 0.00 H 
    20507  
    20508 Ignored bad PDB record found on line 150638 
    20509 ATOM 44940 OWS SOL W753b -79.640 -53.962 82.667 1.00 0.00 O 
    20510  
    20511 Ignored bad PDB record found on line 150639 
    20512 ATOM 44942 HWS SOL W753b -79.991 -53.087 82.503 1.00 0.00 H 
    20513  
    20514 14 messages similar to the above omitted 
    20515 Duplicate atom serial number found: 44960 
    20516 Duplicate atom serial number found: 44962 
    20517 Duplicate atom serial number found: 44964 
    20518 Duplicate atom serial number found: 44966 
    20519 Duplicate atom serial number found: 44968 
    20520 Ignored bad PDB record found on line 150659 
    20521 ATOM 4496a OWS SOL W7542 -76.958 -75.503 62.227 1.00 0.00 O 
    20522  
    20523 Ignored bad PDB record found on line 150660 
    20524 ATOM 4496c HWS SOL W7542 -76.894 -74.783 62.854 1.00 0.00 H 
    20525  
    20526 Ignored bad PDB record found on line 150661 
    20527 ATOM 4496e HWS SOL W7542 -77.897 -75.594 62.061 1.00 0.00 H 
    20528  
    20529 Duplicate atom serial number found: 44970 
    20530 Duplicate atom serial number found: 44972 
    20531 Duplicate atom serial number found: 44974 
    20532 Duplicate atom serial number found: 44976 
    20533 Duplicate atom serial number found: 44978 
    20534 Ignored bad PDB record found on line 150667 
    20535 ATOM 4497a HWS SOL W7544 -52.590 -56.187 85.243 1.00 0.00 H 
    20536  
    20537 Ignored bad PDB record found on line 150668 
    20538 ATOM 4497c OWS SOL W7545 -60.068 -65.016 79.660 1.00 0.00 O 
    20539  
    20540 Ignored bad PDB record found on line 150669 
    20541 ATOM 4497e HWS SOL W7545 -60.189 -64.366 80.352 1.00 0.00 H 
    20542  
    20543 Duplicate atom serial number found: 44980 
    20544 Duplicate atom serial number found: 44982 
    20545 Duplicate atom serial number found: 44984 
    20546 Duplicate atom serial number found: 44986 
    20547 Duplicate atom serial number found: 44988 
    20548 Ignored bad PDB record found on line 150675 
    20549 ATOM 4498a HWS SOL W7547 -73.494 -58.557 -84.000 1.00 0.00 H 
    20550  
    20551 Ignored bad PDB record found on line 150676 
    20552 ATOM 4498c HWS SOL W7547 -72.237 -57.777 -84.325 1.00 0.00 H 
    20553  
    20554 Ignored bad PDB record found on line 150677 
    20555 ATOM 4498e OWS SOL W7548 -39.698 -44.980 87.997 1.00 0.00 O 
    20556  
    20557 Duplicate atom serial number found: 44990 
    20558 Duplicate atom serial number found: 44992 
    20559 Duplicate atom serial number found: 44994 
    20560 Duplicate atom serial number found: 44996 
    20561 Duplicate atom serial number found: 44998 
    20562 Ignored bad PDB record found on line 150683 
    20563 ATOM 4499a OWS SOL W754a -61.054 -82.442 89.553 1.00 0.00 O 
    20564  
    20565 Ignored bad PDB record found on line 150684 
    20566 ATOM 4499c HWS SOL W754a -60.380 -82.881 89.033 1.00 0.00 H 
    20567  
    20568 Ignored bad PDB record found on line 150685 
    20569 ATOM 4499e HWS SOL W754a -61.247 -81.640 89.068 1.00 0.00 H 
    20570  
    20571 Ignored bad PDB record found on line 150686 
    20572 ATOM 449a0 OWS SOL W754b -58.234 -70.111 75.024 1.00 0.00 O 
    20573  
    20574 Ignored bad PDB record found on line 150687 
    20575 ATOM 449a2 HWS SOL W754b -58.656 -70.391 75.836 1.00 0.00 H 
    20576  
    20577 823 messages similar to the above omitted 
    20578 Duplicate atom serial number found: 45012 
    20579 Duplicate atom serial number found: 45014 
    20580 Duplicate atom serial number found: 45016 
    20581 Duplicate atom serial number found: 45018 
    20582 Ignored bad PDB record found on line 151515 
    20583 ATOM 4501a HWS SOL W7661 -46.252 -33.150 -62.540 1.00 0.00 H 
    20584  
    20585 Ignored bad PDB record found on line 151516 
    20586 ATOM 4501c HWS SOL W7661 -46.281 -34.078 -63.736 1.00 0.00 H 
    20587  
    20588 Ignored bad PDB record found on line 151517 
    20589 ATOM 4501e OWS SOL W7662 -43.686 -30.931 -73.679 1.00 0.00 O 
    20590  
    20591 Duplicate atom serial number found: 45020 
    20592 Duplicate atom serial number found: 45022 
    20593 Duplicate atom serial number found: 45024 
    20594 Duplicate atom serial number found: 45026 
    20595 Duplicate atom serial number found: 45028 
    20596 Ignored bad PDB record found on line 151523 
    20597 ATOM 4502a OWS SOL W7664 -40.741 -23.876 -86.466 1.00 0.00 O 
    20598  
    20599 Ignored bad PDB record found on line 151524 
    20600 ATOM 4502c HWS SOL W7664 -40.060 -24.548 -86.430 1.00 0.00 H 
    20601  
    20602 Ignored bad PDB record found on line 151525 
    20603 ATOM 4502e HWS SOL W7664 -40.527 -23.279 -85.749 1.00 0.00 H 
    20604  
    20605 Duplicate atom serial number found: 45030 
    20606 Duplicate atom serial number found: 45032 
    20607 Duplicate atom serial number found: 45034 
    20608 Duplicate atom serial number found: 45036 
    20609 Duplicate atom serial number found: 45038 
    20610 Ignored bad PDB record found on line 151531 
    20611 ATOM 4503a HWS SOL W7666 71.737 -44.368 65.233 1.00 0.00 H 
    20612  
    20613 Ignored bad PDB record found on line 151532 
    20614 ATOM 4503c OWS SOL W7667 -61.536 -37.842 -81.892 1.00 0.00 O 
    20615  
    20616 Ignored bad PDB record found on line 151533 
    20617 ATOM 4503e HWS SOL W7667 -62.438 -37.837 -82.213 1.00 0.00 H 
    20618  
    20619 Duplicate atom serial number found: 45040 
    20620 Duplicate atom serial number found: 45042 
    20621 Duplicate atom serial number found: 45044 
    20622 Duplicate atom serial number found: 45046 
    20623 Duplicate atom serial number found: 45048 
    20624 Ignored bad PDB record found on line 151539 
    20625 ATOM 4504a HWS SOL W7669 -67.767 -28.117 -63.825 1.00 0.00 H 
    20626  
    20627 Ignored bad PDB record found on line 151540 
    20628 ATOM 4504c HWS SOL W7669 -68.273 -26.708 -64.055 1.00 0.00 H 
    20629  
    20630 Ignored bad PDB record found on line 151541 
    20631 ATOM 4504e OWS SOL W766a -71.018 -22.425 -85.405 1.00 0.00 O 
    20632  
    20633 Ignored bad PDB record found on line 151542 
    20634 ATOM 45050 HWS SOL W766a -70.656 -21.582 -85.678 1.00 0.00 H 
    20635  
    20636 Ignored bad PDB record found on line 151543 
    20637 ATOM 45052 HWS SOL W766a -71.952 -22.256 -85.279 1.00 0.00 H 
    20638  
    20639 15 messages similar to the above omitted 
    20640 Duplicate atom serial number found: 45072 
    20641 Duplicate atom serial number found: 45074 
    20642 Duplicate atom serial number found: 45076 
    20643 Duplicate atom serial number found: 45078 
    20644 Ignored bad PDB record found on line 151563 
    20645 ATOM 4507a HWS SOL W7671 -47.864 -19.732 -71.469 1.00 0.00 H 
    20646  
    20647 Ignored bad PDB record found on line 151564 
    20648 ATOM 4507c HWS SOL W7671 -46.683 -18.882 -71.890 1.00 0.00 H 
    20649  
    20650 Ignored bad PDB record found on line 151565 
    20651 ATOM 4507e OWS SOL W7672 83.548 -38.000 -68.677 1.00 0.00 O 
    20652  
    20653 Duplicate atom serial number found: 45080 
    20654 Duplicate atom serial number found: 45082 
    20655 Duplicate atom serial number found: 45084 
    20656 Duplicate atom serial number found: 45086 
    20657 Duplicate atom serial number found: 45088 
    20658 Ignored bad PDB record found on line 151571 
    20659 ATOM 4508a OWS SOL W7674 -41.798 -35.263 -85.907 1.00 0.00 O 
    20660  
    20661 Ignored bad PDB record found on line 151572 
    20662 ATOM 4508c HWS SOL W7674 -41.765 -34.556 -85.263 1.00 0.00 H 
    20663  
    20664 Ignored bad PDB record found on line 151573 
    20665 ATOM 4508e HWS SOL W7674 -42.637 -35.146 -86.351 1.00 0.00 H 
    20666  
    20667 Duplicate atom serial number found: 45090 
    20668 Duplicate atom serial number found: 45092 
    20669 Duplicate atom serial number found: 45094 
    20670 Duplicate atom serial number found: 45096 
    20671 Duplicate atom serial number found: 45098 
    20672 Ignored bad PDB record found on line 151579 
    20673 ATOM 4509a HWS SOL W7676 -52.135 -45.687 89.809 1.00 0.00 H 
    20674  
    20675 Ignored bad PDB record found on line 151580 
    20676 ATOM 4509c OWS SOL W7677 -70.180 -29.252 -86.746 1.00 0.00 O 
    20677  
    20678 Ignored bad PDB record found on line 151581 
    20679 ATOM 4509e HWS SOL W7677 -70.332 -28.476 -86.207 1.00 0.00 H 
    20680  
    20681 Ignored bad PDB record found on line 151582 
    20682 ATOM 450a0 HWS SOL W7677 -69.921 -28.905 -87.600 1.00 0.00 H 
    20683  
    20684 Ignored bad PDB record found on line 151583 
    20685 ATOM 450a2 OWS SOL W7678 -56.945 -8.954 -81.270 1.00 0.00 O 
    20686  
    20687 46 messages similar to the above omitted 
    20688 Duplicate atom serial number found: 45100 
    20689 Duplicate atom serial number found: 45102 
    20690 Duplicate atom serial number found: 45104 
    20691 Duplicate atom serial number found: 45106 
    20692 Duplicate atom serial number found: 45108 
    20693 Ignored bad PDB record found on line 151635 
    20694 ATOM 4510a HWS SOL W7689 -50.280 -36.307 -84.499 1.00 0.00 H 
    20695  
    20696 Ignored bad PDB record found on line 151636 
    20697 ATOM 4510c HWS SOL W7689 -51.334 -36.479 -83.426 1.00 0.00 H 
    20698  
    20699 Ignored bad PDB record found on line 151637 
    20700 ATOM 4510e OWS SOL W768a -61.442 -46.236 -76.484 1.00 0.00 O 
    20701  
    20702 Ignored bad PDB record found on line 151638 
    20703 ATOM 45110 HWS SOL W768a -60.886 -47.013 -76.419 1.00 0.00 H 
    20704  
    20705 Ignored bad PDB record found on line 151639 
    20706 ATOM 45112 HWS SOL W768a -62.326 -46.559 -76.310 1.00 0.00 H 
    20707  
    20708 15 messages similar to the above omitted 
    20709 Duplicate atom serial number found: 45132 
    20710 Duplicate atom serial number found: 45134 
    20711 Duplicate atom serial number found: 45136 
    20712 Duplicate atom serial number found: 45138 
    20713 Ignored bad PDB record found on line 151659 
    20714 ATOM 4513a HWS SOL W7691 -73.576 1.872 -65.747 1.00 0.00 H 
    20715  
    20716 Ignored bad PDB record found on line 151660 
    20717 ATOM 4513c HWS SOL W7691 -72.952 0.514 -65.502 1.00 0.00 H 
    20718  
    20719 Ignored bad PDB record found on line 151661 
    20720 ATOM 4513e OWS SOL W7692 -59.450 -5.897 -78.304 1.00 0.00 O 
    20721  
    20722 Duplicate atom serial number found: 45140 
    20723 Duplicate atom serial number found: 45142 
    20724 Duplicate atom serial number found: 45144 
    20725 Duplicate atom serial number found: 45146 
    20726 Duplicate atom serial number found: 45148 
    20727 Ignored bad PDB record found on line 151667 
    20728 ATOM 4514a OWS SOL W7694 -51.185 -49.644 -88.550 1.00 0.00 O 
    20729  
    20730 Ignored bad PDB record found on line 151668 
    20731 ATOM 4514c HWS SOL W7694 -51.579 -49.571 -89.419 1.00 0.00 H 
    20732  
    20733 Ignored bad PDB record found on line 151669 
    20734 ATOM 4514e HWS SOL W7694 -50.493 -48.983 -88.544 1.00 0.00 H 
    20735  
    20736 Duplicate atom serial number found: 45150 
    20737 Duplicate atom serial number found: 45152 
    20738 Duplicate atom serial number found: 45154 
    20739 Duplicate atom serial number found: 45156 
    20740 Duplicate atom serial number found: 45158 
    20741 Ignored bad PDB record found on line 151675 
    20742 ATOM 4515a HWS SOL W7696 -35.930 -5.521 82.983 1.00 0.00 H 
    20743  
    20744 Ignored bad PDB record found on line 151676 
    20745 ATOM 4515c OWS SOL W7697 -29.470 -36.361 -65.569 1.00 0.00 O 
    20746  
    20747 Ignored bad PDB record found on line 151677 
    20748 ATOM 4515e HWS SOL W7697 -29.118 -37.196 -65.258 1.00 0.00 H 
    20749  
    20750 Duplicate atom serial number found: 45160 
    20751 Duplicate atom serial number found: 45162 
    20752 Duplicate atom serial number found: 45164 
    20753 Duplicate atom serial number found: 45166 
    20754 Duplicate atom serial number found: 45168 
    20755 Ignored bad PDB record found on line 151683 
    20756 ATOM 4516a HWS SOL W7699 -59.778 -23.408 -75.581 1.00 0.00 H 
    20757  
    20758 Ignored bad PDB record found on line 151684 
    20759 ATOM 4516c HWS SOL W7699 -60.853 -23.951 -74.665 1.00 0.00 H 
    20760  
    20761 Ignored bad PDB record found on line 151685 
    20762 ATOM 4516e OWS SOL W769a -69.420 -43.477 -87.228 1.00 0.00 O 
    20763  
    20764 Ignored bad PDB record found on line 151686 
    20765 ATOM 45170 HWS SOL W769a -69.829 -42.639 -87.446 1.00 0.00 H 
    20766  
    20767 Ignored bad PDB record found on line 151687 
    20768 ATOM 45172 HWS SOL W769a -70.137 -44.013 -86.890 1.00 0.00 H 
    20769  
    20770 326 messages similar to the above omitted 
    20771 Duplicate atom serial number found: 45400 
    20772 Duplicate atom serial number found: 45402 
    20773 Duplicate atom serial number found: 45404 
    20774 Duplicate atom serial number found: 45406 
    20775 Duplicate atom serial number found: 45408 
    20776 Ignored bad PDB record found on line 152019 
    20777 ATOM 4540a HWS SOL W7709 -47.999 -32.224 88.785 1.00 0.00 H 
    20778  
    20779 Ignored bad PDB record found on line 152020 
    20780 ATOM 4540c HWS SOL W7709 -49.027 -33.312 88.561 1.00 0.00 H 
    20781  
    20782 Ignored bad PDB record found on line 152021 
    20783 ATOM 4540e OWS SOL W770a -33.116 -28.222 -81.135 1.00 0.00 O 
    20784  
    20785 Ignored bad PDB record found on line 152022 
    20786 ATOM 45410 HWS SOL W770a -33.535 -29.004 -81.494 1.00 0.00 H 
    20787  
    20788 Ignored bad PDB record found on line 152023 
    20789 ATOM 45412 HWS SOL W770a -33.255 -28.287 -80.190 1.00 0.00 H 
    20790  
    20791 15 messages similar to the above omitted 
    20792 Duplicate atom serial number found: 45432 
    20793 Duplicate atom serial number found: 45434 
    20794 Duplicate atom serial number found: 45436 
    20795 Duplicate atom serial number found: 45438 
    20796 Ignored bad PDB record found on line 152043 
    20797 ATOM 4543a HWS SOL W7711 -57.825 -17.646 82.844 1.00 0.00 H 
    20798  
    20799 Ignored bad PDB record found on line 152044 
    20800 ATOM 4543c HWS SOL W7711 -57.432 -17.628 84.305 1.00 0.00 H 
    20801  
    20802 Ignored bad PDB record found on line 152045 
    20803 ATOM 4543e OWS SOL W7712 -32.699 -15.028 -86.246 1.00 0.00 O 
    20804  
    20805 Duplicate atom serial number found: 45440 
    20806 Duplicate atom serial number found: 45442 
    20807 Duplicate atom serial number found: 45444 
    20808 Duplicate atom serial number found: 45446 
    20809 Duplicate atom serial number found: 45448 
    20810 Ignored bad PDB record found on line 152051 
    20811 ATOM 4544a OWS SOL W7714 -47.476 -31.971 -75.132 1.00 0.00 O 
    20812  
    20813 Ignored bad PDB record found on line 152052 
    20814 ATOM 4544c HWS SOL W7714 -47.405 -31.025 -75.011 1.00 0.00 H 
    20815  
    20816 Ignored bad PDB record found on line 152053 
    20817 ATOM 4544e HWS SOL W7714 -47.449 -32.094 -76.081 1.00 0.00 H 
    20818  
    20819 Duplicate atom serial number found: 45450 
    20820 Duplicate atom serial number found: 45452 
    20821 Duplicate atom serial number found: 45454 
    20822 Duplicate atom serial number found: 45456 
    20823 Duplicate atom serial number found: 45458 
    20824 Ignored bad PDB record found on line 152059 
    20825 ATOM 4545a HWS SOL W7716 -48.577 -13.366 -71.647 1.00 0.00 H 
    20826  
    20827 Ignored bad PDB record found on line 152060 
    20828 ATOM 4545c OWS SOL W7717 -30.498 -42.035 -79.502 1.00 0.00 O 
    20829  
    20830 Ignored bad PDB record found on line 152061 
    20831 ATOM 4545e HWS SOL W7717 -31.301 -41.805 -79.033 1.00 0.00 H 
    20832  
    20833 Duplicate atom serial number found: 45460 
    20834 Duplicate atom serial number found: 45462 
    20835 Duplicate atom serial number found: 45464 
    20836 Duplicate atom serial number found: 45466 
    20837 Duplicate atom serial number found: 45468 
    20838 Ignored bad PDB record found on line 152067 
    20839 ATOM 4546a HWS SOL W7719 -52.454 -18.559 -56.884 1.00 0.00 H 
    20840  
    20841 Ignored bad PDB record found on line 152068 
    20842 ATOM 4546c HWS SOL W7719 -52.444 -19.861 -56.112 1.00 0.00 H 
    20843  
    20844 Ignored bad PDB record found on line 152069 
    20845 ATOM 4546e OWS SOL W771a -80.997 -24.471 -64.694 1.00 0.00 O 
    20846  
    20847 Ignored bad PDB record found on line 152070 
    20848 ATOM 45470 HWS SOL W771a -81.621 -25.197 -64.709 1.00 0.00 H 
    20849  
    20850 Ignored bad PDB record found on line 152071 
    20851 ATOM 45472 HWS SOL W771a -80.816 -24.329 -63.765 1.00 0.00 H 
    20852  
    20853 15 messages similar to the above omitted 
    20854 Duplicate atom serial number found: 45492 
    20855 Duplicate atom serial number found: 45494 
    20856 Duplicate atom serial number found: 45496 
    20857 Duplicate atom serial number found: 45498 
    20858 Ignored bad PDB record found on line 152091 
    20859 ATOM 4549a HWS SOL W7721 -38.655 -26.271 -87.512 1.00 0.00 H 
    20860  
    20861 Ignored bad PDB record found on line 152092 
    20862 ATOM 4549c HWS SOL W7721 -37.506 -25.408 -87.989 1.00 0.00 H 
    20863  
    20864 Ignored bad PDB record found on line 152093 
    20865 ATOM 4549e OWS SOL W7722 -53.405 -44.493 72.192 1.00 0.00 O 
    20866  
    20867 Ignored bad PDB record found on line 152094 
    20868 ATOM 454a0 HWS SOL W7722 -53.814 -45.353 72.087 1.00 0.00 H 
    20869  
    20870 Ignored bad PDB record found on line 152095 
    20871 ATOM 454a2 HWS SOL W7722 -54.139 -43.878 72.197 1.00 0.00 H 
    20872  
    20873 46 messages similar to the above omitted 
    20874 Duplicate atom serial number found: 45500 
    20875 Duplicate atom serial number found: 45502 
    20876 Duplicate atom serial number found: 45504 
    20877 Duplicate atom serial number found: 45506 
    20878 Duplicate atom serial number found: 45508 
    20879 Ignored bad PDB record found on line 152147 
    20880 ATOM 4550a OWS SOL W7734 -68.448 -12.776 74.404 1.00 0.00 O 
    20881  
    20882 Ignored bad PDB record found on line 152148 
    20883 ATOM 4550c HWS SOL W7734 -68.047 -13.637 74.519 1.00 0.00 H 
    20884  
    20885 Ignored bad PDB record found on line 152149 
    20886 ATOM 4550e HWS SOL W7734 -68.677 -12.740 73.475 1.00 0.00 H 
    20887  
    20888 Duplicate atom serial number found: 45510 
    20889 Duplicate atom serial number found: 45512 
    20890 Duplicate atom serial number found: 45514 
    20891 Duplicate atom serial number found: 45516 
    20892 Duplicate atom serial number found: 45518 
    20893 Ignored bad PDB record found on line 152155 
    20894 ATOM 4551a HWS SOL W7736 -74.698 -36.763 -80.146 1.00 0.00 H 
    20895  
    20896 Ignored bad PDB record found on line 152156 
    20897 ATOM 4551c OWS SOL W7737 -53.542 -25.587 -78.217 1.00 0.00 O 
    20898  
    20899 Ignored bad PDB record found on line 152157 
    20900 ATOM 4551e HWS SOL W7737 -52.890 -26.013 -78.775 1.00 0.00 H 
    20901  
    20902 Duplicate atom serial number found: 45520 
    20903 Duplicate atom serial number found: 45522 
    20904 Duplicate atom serial number found: 45524 
    20905 Duplicate atom serial number found: 45526 
    20906 Duplicate atom serial number found: 45528 
    20907 Ignored bad PDB record found on line 152163 
    20908 ATOM 4552a HWS SOL W7739 -86.369 -11.695 86.192 1.00 0.00 H 
    20909  
    20910 Ignored bad PDB record found on line 152164 
    20911 ATOM 4552c HWS SOL W7739 -86.345 -11.725 84.679 1.00 0.00 H 
    20912  
    20913 Ignored bad PDB record found on line 152165 
    20914 ATOM 4552e OWS SOL W773a -87.471 -12.688 -79.814 1.00 0.00 O 
    20915  
    20916 Ignored bad PDB record found on line 152166 
    20917 ATOM 45530 HWS SOL W773a -87.332 -12.811 -78.875 1.00 0.00 H 
    20918  
    20919 Ignored bad PDB record found on line 152167 
    20920 ATOM 45532 HWS SOL W773a -86.736 -13.141 -80.227 1.00 0.00 H 
    20921  
    20922 15 messages similar to the above omitted 
    20923 Duplicate atom serial number found: 45552 
    20924 Duplicate atom serial number found: 45554 
    20925 Duplicate atom serial number found: 45556 
    20926 Duplicate atom serial number found: 45558 
    20927 Ignored bad PDB record found on line 152187 
    20928 ATOM 4555a HWS SOL W7741 -60.627 -23.928 -83.695 1.00 0.00 H 
    20929  
    20930 Ignored bad PDB record found on line 152188 
    20931 ATOM 4555c HWS SOL W7741 -59.726 -24.883 -84.449 1.00 0.00 H 
    20932  
    20933 Ignored bad PDB record found on line 152189 
    20934 ATOM 4555e OWS SOL W7742 -63.247 -34.094 -71.457 1.00 0.00 O 
    20935  
    20936 Duplicate atom serial number found: 45560 
    20937 Duplicate atom serial number found: 45562 
    20938 Duplicate atom serial number found: 45564 
    20939 Duplicate atom serial number found: 45566 
    20940 Duplicate atom serial number found: 45568 
    20941 Ignored bad PDB record found on line 152195 
    20942 ATOM 4556a OWS SOL W7744 -59.973 -11.404 -84.521 1.00 0.00 O 
    20943  
    20944 Ignored bad PDB record found on line 152196 
    20945 ATOM 4556c HWS SOL W7744 -60.563 -10.740 -84.877 1.00 0.00 H 
    20946  
    20947 Ignored bad PDB record found on line 152197 
    20948 ATOM 4556e HWS SOL W7744 -60.527 -11.936 -83.950 1.00 0.00 H 
    20949  
    20950 Duplicate atom serial number found: 45570 
    20951 Duplicate atom serial number found: 45572 
    20952 Duplicate atom serial number found: 45574 
    20953 Duplicate atom serial number found: 45576 
    20954 Duplicate atom serial number found: 45578 
    20955 Ignored bad PDB record found on line 152203 
    20956 ATOM 4557a HWS SOL W7746 -55.709 -9.895 -76.915 1.00 0.00 H 
    20957  
    20958 Ignored bad PDB record found on line 152204 
    20959 ATOM 4557c OWS SOL W7747 -33.849 -5.089 -78.226 1.00 0.00 O 
    20960  
    20961 Ignored bad PDB record found on line 152205 
    20962 ATOM 4557e HWS SOL W7747 -33.292 -4.546 -77.669 1.00 0.00 H 
    20963  
    20964 Duplicate atom serial number found: 45580 
    20965 Duplicate atom serial number found: 45582 
    20966 Duplicate atom serial number found: 45584 
    20967 Duplicate atom serial number found: 45586 
    20968 Duplicate atom serial number found: 45588 
    20969 Ignored bad PDB record found on line 152211 
    20970 ATOM 4558a HWS SOL W7749 -44.550 -39.661 -64.698 1.00 0.00 H 
    20971  
    20972 Ignored bad PDB record found on line 152212 
    20973 ATOM 4558c HWS SOL W7749 -44.855 -40.994 -64.049 1.00 0.00 H 
    20974  
    20975 Ignored bad PDB record found on line 152213 
    20976 ATOM 4558e OWS SOL W774a -81.370 -36.425 -82.216 1.00 0.00 O 
    20977  
    20978 Ignored bad PDB record found on line 152214 
    20979 ATOM 45590 HWS SOL W774a -82.144 -35.899 -82.012 1.00 0.00 H 
    20980  
    20981 Ignored bad PDB record found on line 152215 
    20982 ATOM 45592 HWS SOL W774a -80.668 -35.784 -82.331 1.00 0.00 H 
    20983  
    20984 63 messages similar to the above omitted 
    20985 Duplicate atom serial number found: 45612 
    20986 Duplicate atom serial number found: 45614 
    20987 Duplicate atom serial number found: 45616 
    20988 Duplicate atom serial number found: 45618 
    20989 Ignored bad PDB record found on line 152283 
    20990 ATOM 4561a HWS SOL W7761 -55.839 -37.838 -65.914 1.00 0.00 H 
    20991  
    20992 Ignored bad PDB record found on line 152284 
    20993 ATOM 4561c HWS SOL W7761 -55.349 -37.438 -67.289 1.00 0.00 H 
    20994  
    20995 Ignored bad PDB record found on line 152285 
    20996 ATOM 4561e OWS SOL W7762 -84.358 -19.792 -84.645 1.00 0.00 O 
    20997  
    20998 Duplicate atom serial number found: 45620 
    20999 Duplicate atom serial number found: 45622 
    21000 Duplicate atom serial number found: 45624 
    21001 Duplicate atom serial number found: 45626 
    21002 Duplicate atom serial number found: 45628 
    21003 Ignored bad PDB record found on line 152291 
    21004 ATOM 4562a OWS SOL W7764 -56.250 -28.387 -79.471 1.00 0.00 O 
    21005  
    21006 Ignored bad PDB record found on line 152292 
    21007 ATOM 4562c HWS SOL W7764 -56.230 -27.441 -79.618 1.00 0.00 H 
    21008  
    21009 Ignored bad PDB record found on line 152293 
    21010 ATOM 4562e HWS SOL W7764 -57.056 -28.536 -78.978 1.00 0.00 H 
    21011  
    21012 Duplicate atom serial number found: 45630 
    21013 Duplicate atom serial number found: 45632 
    21014 Duplicate atom serial number found: 45634 
    21015 Duplicate atom serial number found: 45636 
    21016 Duplicate atom serial number found: 45638 
    21017 Ignored bad PDB record found on line 152299 
    21018 ATOM 4563a HWS SOL W7766 -51.956 -28.871 -65.058 1.00 0.00 H 
    21019  
    21020 Ignored bad PDB record found on line 152300 
    21021 ATOM 4563c OWS SOL W7767 -61.485 -22.321 -83.685 1.00 0.00 O 
    21022  
    21023 Ignored bad PDB record found on line 152301 
    21024 ATOM 4563e HWS SOL W7767 -61.583 -21.462 -83.274 1.00 0.00 H 
    21025  
    21026 Duplicate atom serial number found: 45640 
    21027 Duplicate atom serial number found: 45642 
    21028 Duplicate atom serial number found: 45644 
    21029 Duplicate atom serial number found: 45646 
    21030 Duplicate atom serial number found: 45648 
    21031 Ignored bad PDB record found on line 152307 
    21032 ATOM 4564a HWS SOL W7769 -59.301 -20.446 -53.503 1.00 0.00 H 
    21033  
    21034 Ignored bad PDB record found on line 152308 
    21035 ATOM 4564c HWS SOL W7769 -60.193 -21.122 -54.522 1.00 0.00 H 
    21036  
    21037 Ignored bad PDB record found on line 152309 
    21038 ATOM 4564e OWS SOL W776a -59.804 -13.335 -68.747 1.00 0.00 O 
    21039  
    21040 Ignored bad PDB record found on line 152310 
    21041 ATOM 45650 HWS SOL W776a -60.293 -14.116 -68.487 1.00 0.00 H 
    21042  
    21043 Ignored bad PDB record found on line 152311 
    21044 ATOM 45652 HWS SOL W776a -58.963 -13.418 -68.297 1.00 0.00 H 
    21045  
    21046 15 messages similar to the above omitted 
    21047 Duplicate atom serial number found: 45672 
    21048 Duplicate atom serial number found: 45674 
    21049 Duplicate atom serial number found: 45676 
    21050 Duplicate atom serial number found: 45678 
    21051 Ignored bad PDB record found on line 152331 
    21052 ATOM 4567a HWS SOL W7771 -50.860 -21.281 -63.189 1.00 0.00 H 
    21053  
    21054 Ignored bad PDB record found on line 152332 
    21055 ATOM 4567c HWS SOL W7771 -51.080 -19.822 -62.851 1.00 0.00 H 
    21056  
    21057 Ignored bad PDB record found on line 152333 
    21058 ATOM 4567e OWS SOL W7772 -63.719 -26.012 -50.069 1.00 0.00 O 
    21059  
    21060 Duplicate atom serial number found: 45680 
    21061 Duplicate atom serial number found: 45682 
    21062 Duplicate atom serial number found: 45684 
    21063 Duplicate atom serial number found: 45686 
    21064 Duplicate atom serial number found: 45688 
    21065 Ignored bad PDB record found on line 152339 
    21066 ATOM 4568a OWS SOL W7774 -66.509 -25.208 -62.403 1.00 0.00 O 
    21067  
    21068 Ignored bad PDB record found on line 152340 
    21069 ATOM 4568c HWS SOL W7774 -67.235 -25.830 -62.357 1.00 0.00 H 
    21070  
    21071 Ignored bad PDB record found on line 152341 
    21072 ATOM 4568e HWS SOL W7774 -65.746 -25.707 -62.111 1.00 0.00 H 
    21073  
    21074 Duplicate atom serial number found: 45690 
    21075 Duplicate atom serial number found: 45692 
    21076 Duplicate atom serial number found: 45694 
    21077 Duplicate atom serial number found: 45696 
    21078 Duplicate atom serial number found: 45698 
    21079 Ignored bad PDB record found on line 152347 
    21080 ATOM 4569a HWS SOL W7776 -65.824 -13.472 -56.180 1.00 0.00 H 
    21081  
    21082 Ignored bad PDB record found on line 152348 
    21083 ATOM 4569c OWS SOL W7777 -67.456 -16.871 -51.053 1.00 0.00 O 
    21084  
    21085 Ignored bad PDB record found on line 152349 
    21086 ATOM 4569e HWS SOL W7777 -66.620 -16.474 -50.812 1.00 0.00 H 
    21087  
    21088 Ignored bad PDB record found on line 152350 
    21089 ATOM 456a0 HWS SOL W7777 -67.349 -17.800 -50.848 1.00 0.00 H 
    21090  
    21091 Ignored bad PDB record found on line 152351 
    21092 ATOM 456a2 OWS SOL W7778 -55.805 -22.660 -63.690 1.00 0.00 O 
    21093  
    21094 46 messages similar to the above omitted 
    21095 Duplicate atom serial number found: 45700 
    21096 Duplicate atom serial number found: 45702 
    21097 Duplicate atom serial number found: 45704 
    21098 Duplicate atom serial number found: 45706 
    21099 Ignored bad PDB record found on line 152402 
    21100 ATOM 45708 OWS SOL W778a -54.977 -41.498 -48.729 1.00 0.00 O 
    21101  
    21102 Ignored bad PDB record found on line 152403 
    21103 ATOM 4570a HWS SOL W778a -54.052 -41.653 -48.538 1.00 0.00 H 
    21104  
    21105 Ignored bad PDB record found on line 152404 
    21106 ATOM 4570c HWS SOL W778a -55.128 -41.943 -49.563 1.00 0.00 H 
    21107  
    21108 Ignored bad PDB record found on line 152405 
    21109 ATOM 4570e OWS SOL W778b -60.018 -50.918 -53.462 1.00 0.00 O 
    21110  
    21111 Ignored bad PDB record found on line 152406 
    21112 ATOM 45710 HWS SOL W778b -60.484 -50.082 -53.432 1.00 0.00 H 
    21113  
    21114 15 messages similar to the above omitted 
    21115 Duplicate atom serial number found: 45730 
    21116 Duplicate atom serial number found: 45732 
    21117 Duplicate atom serial number found: 45734 
    21118 Duplicate atom serial number found: 45736 
    21119 Duplicate atom serial number found: 45738 
    21120 Ignored bad PDB record found on line 152427 
    21121 ATOM 4573a HWS SOL W7792 -47.195 -33.948 -45.280 1.00 0.00 H 
    21122  
    21123 Ignored bad PDB record found on line 152428 
    21124 ATOM 4573c HWS SOL W7792 -46.451 -33.172 -44.215 1.00 0.00 H 
    21125  
    21126 Ignored bad PDB record found on line 152429 
    21127 ATOM 4573e OWS SOL W7793 -71.994 -14.579 -48.702 1.00 0.00 O 
    21128  
    21129 Duplicate atom serial number found: 45740 
    21130 Duplicate atom serial number found: 45742 
    21131 Duplicate atom serial number found: 45744 
    21132 Duplicate atom serial number found: 45746 
    21133 Duplicate atom serial number found: 45748 
    21134 Ignored bad PDB record found on line 152435 
    21135 ATOM 4574a OWS SOL W7795 -63.316 -15.204 -56.917 1.00 0.00 O 
    21136  
    21137 Ignored bad PDB record found on line 152436 
    21138 ATOM 4574c HWS SOL W7795 -64.257 -15.067 -56.809 1.00 0.00 H 
    21139  
    21140 Ignored bad PDB record found on line 152437 
    21141 ATOM 4574e HWS SOL W7795 -63.043 -15.646 -56.113 1.00 0.00 H 
    21142  
    21143 Duplicate atom serial number found: 45750 
    21144 Duplicate atom serial number found: 45752 
    21145 Duplicate atom serial number found: 45754 
    21146 Duplicate atom serial number found: 45756 
    21147 Duplicate atom serial number found: 45758 
    21148 Ignored bad PDB record found on line 152443 
    21149 ATOM 4575a HWS SOL W7797 -55.047 -20.511 -49.061 1.00 0.00 H 
    21150  
    21151 Ignored bad PDB record found on line 152444 
    21152 ATOM 4575c OWS SOL W7798 -63.047 -30.286 88.673 1.00 0.00 O 
    21153  
    21154 Ignored bad PDB record found on line 152445 
    21155 ATOM 4575e HWS SOL W7798 -62.274 -30.569 89.160 1.00 0.00 H 
    21156  
    21157 Duplicate atom serial number found: 45760 
    21158 Duplicate atom serial number found: 45762 
    21159 Duplicate atom serial number found: 45764 
    21160 Duplicate atom serial number found: 45766 
    21161 Ignored bad PDB record found on line 152450 
    21162 ATOM 45768 OWS SOL W779a -80.127 2.752 -28.301 1.00 0.00 O 
    21163  
    21164 Ignored bad PDB record found on line 152451 
    21165 ATOM 4576a HWS SOL W779a -79.864 3.646 -28.517 1.00 0.00 H 
    21166  
    21167 Ignored bad PDB record found on line 152452 
    21168 ATOM 4576c HWS SOL W779a -81.050 2.707 -28.551 1.00 0.00 H 
    21169  
    21170 Ignored bad PDB record found on line 152453 
    21171 ATOM 4576e OWS SOL W779b -76.814 -22.545 -70.392 1.00 0.00 O 
    21172  
    21173 Ignored bad PDB record found on line 152454 
    21174 ATOM 45770 HWS SOL W779b -75.954 -22.933 -70.231 1.00 0.00 H 
    21175  
    21176 1095 messages similar to the above omitted 
    21177 Duplicate atom serial number found: 46000 
    21178 Ignored bad PDB record found on line 153551 
    21179 ATOM 46002 OWS SOL W790a -53.025 -3.652 -39.617 1.00 0.00 O 
    21180  
    21181 Ignored bad PDB record found on line 153552 
    21182 ATOM 46004 HWS SOL W790a -52.316 -3.233 -40.104 1.00 0.00 H 
    21183  
    21184 Ignored bad PDB record found on line 153553 
    21185 ATOM 46006 HWS SOL W790a -53.803 -3.511 -40.155 1.00 0.00 H 
    21186  
    21187 Ignored bad PDB record found on line 153554 
    21188 ATOM 46008 OWS SOL W790b -69.233 -27.372 -44.947 1.00 0.00 O 
    21189  
    21190 Ignored bad PDB record found on line 153555 
    21191 ATOM 4600a HWS SOL W790b -69.411 -28.224 -44.549 1.00 0.00 H 
    21192  
    21193 13 messages similar to the above omitted 
    21194 Duplicate atom serial number found: 46026 
    21195 Duplicate atom serial number found: 46028 
    21196 Ignored bad PDB record found on line 153571 
    21197 ATOM 4602a HWS SOL W7910 -62.610 -23.183 -58.840 1.00 0.00 H 
    21198  
    21199 Ignored bad PDB record found on line 153572 
    21200 ATOM 4602c OWS SOL W7911 -69.820 -14.261 -47.014 1.00 0.00 O 
    21201  
    21202 Ignored bad PDB record found on line 153573 
    21203 ATOM 4602e HWS SOL W7911 -70.698 -14.253 -47.395 1.00 0.00 H 
    21204  
    21205 Duplicate atom serial number found: 46030 
    21206 Duplicate atom serial number found: 46032 
    21207 Duplicate atom serial number found: 46034 
    21208 Duplicate atom serial number found: 46036 
    21209 Duplicate atom serial number found: 46038 
    21210 Ignored bad PDB record found on line 153579 
    21211 ATOM 4603a HWS SOL W7913 -59.781 -45.292 -61.499 1.00 0.00 H 
    21212  
    21213 Ignored bad PDB record found on line 153580 
    21214 ATOM 4603c HWS SOL W7913 -60.183 -43.919 -61.995 1.00 0.00 H 
    21215  
    21216 Ignored bad PDB record found on line 153581 
    21217 ATOM 4603e OWS SOL W7914 -71.092 -26.906 -63.771 1.00 0.00 O 
    21218  
    21219 Duplicate atom serial number found: 46040 
    21220 Duplicate atom serial number found: 46042 
    21221 Duplicate atom serial number found: 46044 
    21222 Duplicate atom serial number found: 46046 
    21223 Duplicate atom serial number found: 46048 
    21224 Ignored bad PDB record found on line 153587 
    21225 ATOM 4604a OWS SOL W7916 -46.620 -46.351 -64.384 1.00 0.00 O 
    21226  
    21227 Ignored bad PDB record found on line 153588 
    21228 ATOM 4604c HWS SOL W7916 -47.517 -46.236 -64.070 1.00 0.00 H 
    21229  
    21230 Ignored bad PDB record found on line 153589 
    21231 ATOM 4604e HWS SOL W7916 -46.432 -45.549 -64.872 1.00 0.00 H 
    21232  
    21233 Duplicate atom serial number found: 46050 
    21234 Duplicate atom serial number found: 46052 
    21235 Duplicate atom serial number found: 46054 
    21236 Duplicate atom serial number found: 46056 
    21237 Duplicate atom serial number found: 46058 
    21238 Ignored bad PDB record found on line 153595 
    21239 ATOM 4605a HWS SOL W7918 -79.890 -21.828 -43.386 1.00 0.00 H 
    21240  
    21241 Ignored bad PDB record found on line 153596 
    21242 ATOM 4605c OWS SOL W7919 -53.001 -25.686 -54.495 1.00 0.00 O 
    21243  
    21244 Ignored bad PDB record found on line 153597 
    21245 ATOM 4605e HWS SOL W7919 -52.229 -25.944 -55.000 1.00 0.00 H 
    21246  
    21247 Duplicate atom serial number found: 46060 
    21248 Ignored bad PDB record found on line 153599 
    21249 ATOM 46062 OWS SOL W791a -68.481 -40.815 -56.099 1.00 0.00 O 
    21250  
    21251 Ignored bad PDB record found on line 153600 
    21252 ATOM 46064 HWS SOL W791a -68.566 -39.961 -56.524 1.00 0.00 H 
    21253  
    21254 Ignored bad PDB record found on line 153601 
    21255 ATOM 46066 HWS SOL W791a -68.257 -40.609 -55.191 1.00 0.00 H 
    21256  
    21257 Ignored bad PDB record found on line 153602 
    21258 ATOM 46068 OWS SOL W791b -71.451 -24.185 -67.263 1.00 0.00 O 
    21259  
    21260 Ignored bad PDB record found on line 153603 
    21261 ATOM 4606a HWS SOL W791b -71.284 -23.921 -66.358 1.00 0.00 H 
    21262  
    21263 13 messages similar to the above omitted 
    21264 Duplicate atom serial number found: 46086 
    21265 Duplicate atom serial number found: 46088 
    21266 Ignored bad PDB record found on line 153619 
    21267 ATOM 4608a HWS SOL W7920 -66.950 -25.000 -66.058 1.00 0.00 H 
    21268  
    21269 Ignored bad PDB record found on line 153620 
    21270 ATOM 4608c OWS SOL W7921 -46.740 -14.848 -45.144 1.00 0.00 O 
    21271  
    21272 Ignored bad PDB record found on line 153621 
    21273 ATOM 4608e HWS SOL W7921 -47.541 -14.889 -44.622 1.00 0.00 H 
    21274  
    21275 Duplicate atom serial number found: 46090 
    21276 Duplicate atom serial number found: 46092 
    21277 Duplicate atom serial number found: 46094 
    21278 Duplicate atom serial number found: 46096 
    21279 Duplicate atom serial number found: 46098 
    21280 Ignored bad PDB record found on line 153627 
    21281 ATOM 4609a HWS SOL W7923 -72.203 -33.698 -70.569 1.00 0.00 H 
    21282  
    21283 Ignored bad PDB record found on line 153628 
    21284 ATOM 4609c HWS SOL W7923 -71.894 -35.067 -70.001 1.00 0.00 H 
    21285  
    21286 Ignored bad PDB record found on line 153629 
    21287 ATOM 4609e OWS SOL W7924 -45.276 -28.602 -54.165 1.00 0.00 O 
    21288  
    21289 Ignored bad PDB record found on line 153630 
    21290 ATOM 460a0 HWS SOL W7924 -44.668 -28.915 -54.835 1.00 0.00 H 
    21291  
    21292 Ignored bad PDB record found on line 153631 
    21293 ATOM 460a2 HWS SOL W7924 -45.896 -28.050 -54.642 1.00 0.00 H 
    21294  
    21295 46 messages similar to the above omitted 
    21296 Duplicate atom serial number found: 46100 
    21297 Duplicate atom serial number found: 46102 
    21298 Duplicate atom serial number found: 46104 
    21299 Duplicate atom serial number found: 46106 
    21300 Duplicate atom serial number found: 46108 
    21301 Ignored bad PDB record found on line 153683 
    21302 ATOM 4610a OWS SOL W7936 -50.590 -27.801 -47.213 1.00 0.00 O 
    21303  
    21304 Ignored bad PDB record found on line 153684 
    21305 ATOM 4610c HWS SOL W7936 -51.429 -27.729 -46.758 1.00 0.00 H 
    21306  
    21307 Ignored bad PDB record found on line 153685 
    21308 ATOM 4610e HWS SOL W7936 -50.278 -28.681 -47.005 1.00 0.00 H 
    21309  
    21310 Duplicate atom serial number found: 46110 
    21311 Duplicate atom serial number found: 46112 
    21312 Duplicate atom serial number found: 46114 
    21313 Duplicate atom serial number found: 46116 
    21314 Duplicate atom serial number found: 46118 
    21315 Ignored bad PDB record found on line 153691 
    21316 ATOM 4611a HWS SOL W7938 -69.615 -19.483 -41.276 1.00 0.00 H 
    21317  
    21318 Ignored bad PDB record found on line 153692 
    21319 ATOM 4611c OWS SOL W7939 -54.249 -8.626 -25.221 1.00 0.00 O 
    21320  
    21321 Ignored bad PDB record found on line 153693 
    21322 ATOM 4611e HWS SOL W7939 -53.378 -8.885 -25.523 1.00 0.00 H 
    21323  
    21324 Duplicate atom serial number found: 46120 
    21325 Ignored bad PDB record found on line 153695 
    21326 ATOM 46122 OWS SOL W793a -57.080 -22.759 -78.571 1.00 0.00 O 
    21327  
    21328 Ignored bad PDB record found on line 153696 
    21329 ATOM 46124 HWS SOL W793a -56.854 -22.199 -77.829 1.00 0.00 H 
    21330  
    21331 Ignored bad PDB record found on line 153697 
    21332 ATOM 46126 HWS SOL W793a -56.859 -22.236 -79.342 1.00 0.00 H 
    21333  
    21334 Ignored bad PDB record found on line 153698 
    21335 ATOM 46128 OWS SOL W793b -73.642 -21.973 -85.591 1.00 0.00 O 
    21336  
    21337 Ignored bad PDB record found on line 153699 
    21338 ATOM 4612a HWS SOL W793b -74.056 -22.587 -86.197 1.00 0.00 H 
    21339  
    21340 13 messages similar to the above omitted 
    21341 Duplicate atom serial number found: 46146 
    21342 Duplicate atom serial number found: 46148 
    21343 Ignored bad PDB record found on line 153715 
    21344 ATOM 4614a HWS SOL W7940 -40.039 -32.602 -55.985 1.00 0.00 H 
    21345  
    21346 Ignored bad PDB record found on line 153716 
    21347 ATOM 4614c OWS SOL W7941 -47.637 -26.432 -60.032 1.00 0.00 O 
    21348  
    21349 Ignored bad PDB record found on line 153717 
    21350 ATOM 4614e HWS SOL W7941 -46.863 -26.017 -59.651 1.00 0.00 H 
    21351  
    21352 Duplicate atom serial number found: 46150 
    21353 Duplicate atom serial number found: 46152 
    21354 Duplicate atom serial number found: 46154 
    21355 Duplicate atom serial number found: 46156 
    21356 Duplicate atom serial number found: 46158 
    21357 Ignored bad PDB record found on line 153723 
    21358 ATOM 4615a HWS SOL W7943 -47.793 -51.617 -73.184 1.00 0.00 H 
    21359  
    21360 Ignored bad PDB record found on line 153724 
    21361 ATOM 4615c HWS SOL W7943 -48.596 -52.640 -73.958 1.00 0.00 H 
    21362  
    21363 Ignored bad PDB record found on line 153725 
    21364 ATOM 4615e OWS SOL W7944 -25.822 -24.410 -49.228 1.00 0.00 O 
    21365  
    21366 Duplicate atom serial number found: 46160 
    21367 Duplicate atom serial number found: 46162 
    21368 Duplicate atom serial number found: 46164 
    21369 Duplicate atom serial number found: 46166 
    21370 Duplicate atom serial number found: 46168 
    21371 Ignored bad PDB record found on line 153731 
    21372 ATOM 4616a OWS SOL W7946 -44.093 -22.430 -51.866 1.00 0.00 O 
    21373  
    21374 Ignored bad PDB record found on line 153732 
    21375 ATOM 4616c HWS SOL W7946 -43.993 -22.071 -50.985 1.00 0.00 H 
    21376  
    21377 Ignored bad PDB record found on line 153733 
    21378 ATOM 4616e HWS SOL W7946 -43.223 -22.761 -52.090 1.00 0.00 H 
    21379  
    21380 Duplicate atom serial number found: 46170 
    21381 Duplicate atom serial number found: 46172 
    21382 Duplicate atom serial number found: 46174 
    21383 Duplicate atom serial number found: 46176 
    21384 Duplicate atom serial number found: 46178 
    21385 Ignored bad PDB record found on line 153739 
    21386 ATOM 4617a HWS SOL W7948 -49.360 -13.665 -66.150 1.00 0.00 H 
    21387  
    21388 Ignored bad PDB record found on line 153740 
    21389 ATOM 4617c OWS SOL W7949 -35.258 -8.424 -46.671 1.00 0.00 O 
    21390  
    21391 Ignored bad PDB record found on line 153741 
    21392 ATOM 4617e HWS SOL W7949 -36.144 -8.175 -46.407 1.00 0.00 H 
    21393  
    21394 Duplicate atom serial number found: 46180 
    21395 Ignored bad PDB record found on line 153743 
    21396 ATOM 46182 OWS SOL W794a -66.451 -44.354 -62.083 1.00 0.00 O 
    21397  
    21398 Ignored bad PDB record found on line 153744 
    21399 ATOM 46184 HWS SOL W794a -66.086 -44.646 -61.248 1.00 0.00 H 
    21400  
    21401 Ignored bad PDB record found on line 153745 
    21402 ATOM 46186 HWS SOL W794a -66.229 -45.051 -62.700 1.00 0.00 H 
    21403  
    21404 Ignored bad PDB record found on line 153746 
    21405 ATOM 46188 OWS SOL W794b -66.217 -10.108 -54.309 1.00 0.00 O 
    21406  
    21407 Ignored bad PDB record found on line 153747 
    21408 ATOM 4618a HWS SOL W794b -65.380 -9.831 -54.682 1.00 0.00 H 
    21409  
    21410 61 messages similar to the above omitted 
    21411 Duplicate atom serial number found: 46206 
    21412 Duplicate atom serial number found: 46208 
    21413 Ignored bad PDB record found on line 153811 
    21414 ATOM 4620a HWS SOL W7960 -39.136 -29.950 -51.663 1.00 0.00 H 
    21415  
    21416 Ignored bad PDB record found on line 153812 
    21417 ATOM 4620c OWS SOL W7961 -45.090 -45.547 -30.449 1.00 0.00 O 
    21418  
    21419 Ignored bad PDB record found on line 153813 
    21420 ATOM 4620e HWS SOL W7961 -45.064 -44.591 -30.409 1.00 0.00 H 
    21421  
    21422 Duplicate atom serial number found: 46210 
    21423 Duplicate atom serial number found: 46212 
    21424 Duplicate atom serial number found: 46214 
    21425 Duplicate atom serial number found: 46216 
    21426 Duplicate atom serial number found: 46218 
    21427 Ignored bad PDB record found on line 153819 
    21428 ATOM 4621a HWS SOL W7963 -63.907 -42.246 -65.386 1.00 0.00 H 
    21429  
    21430 Ignored bad PDB record found on line 153820 
    21431 ATOM 4621c HWS SOL W7963 -63.079 -41.224 -64.635 1.00 0.00 H 
    21432  
    21433 Ignored bad PDB record found on line 153821 
    21434 ATOM 4621e OWS SOL W7964 -79.458 -10.605 -53.840 1.00 0.00 O 
    21435  
    21436 Duplicate atom serial number found: 46220 
    21437 Duplicate atom serial number found: 46222 
    21438 Duplicate atom serial number found: 46224 
    21439 Duplicate atom serial number found: 46226 
    21440 Duplicate atom serial number found: 46228 
    21441 Ignored bad PDB record found on line 153827 
    21442 ATOM 4622a OWS SOL W7966 -50.294 -2.302 -38.248 1.00 0.00 O 
    21443  
    21444 Ignored bad PDB record found on line 153828 
    21445 ATOM 4622c HWS SOL W7966 -49.404 -1.951 -38.248 1.00 0.00 H 
    21446  
    21447 Ignored bad PDB record found on line 153829 
    21448 ATOM 4622e HWS SOL W7966 -50.182 -3.239 -38.089 1.00 0.00 H 
    21449  
    21450 Duplicate atom serial number found: 46230 
    21451 Duplicate atom serial number found: 46232 
    21452 Duplicate atom serial number found: 46234 
    21453 Duplicate atom serial number found: 46236 
    21454 Duplicate atom serial number found: 46238 
    21455 Ignored bad PDB record found on line 153835 
    21456 ATOM 4623a HWS SOL W7968 -56.958 -31.338 -55.161 1.00 0.00 H 
    21457  
    21458 Ignored bad PDB record found on line 153836 
    21459 ATOM 4623c OWS SOL W7969 -52.058 -30.416 -54.465 1.00 0.00 O 
    21460  
    21461 Ignored bad PDB record found on line 153837 
    21462 ATOM 4623e HWS SOL W7969 -52.767 -30.565 -55.091 1.00 0.00 H 
    21463  
    21464 Duplicate atom serial number found: 46240 
    21465 Ignored bad PDB record found on line 153839 
    21466 ATOM 46242 OWS SOL W796a -53.503 -26.634 -66.849 1.00 0.00 O 
    21467  
    21468 Ignored bad PDB record found on line 153840 
    21469 ATOM 46244 HWS SOL W796a -54.379 -27.015 -66.793 1.00 0.00 H 
    21470  
    21471 Ignored bad PDB record found on line 153841 
    21472 ATOM 46246 HWS SOL W796a -53.452 -26.279 -67.737 1.00 0.00 H 
    21473  
    21474 Ignored bad PDB record found on line 153842 
    21475 ATOM 46248 OWS SOL W796b -52.170 -43.503 -62.199 1.00 0.00 O 
    21476  
    21477 Ignored bad PDB record found on line 153843 
    21478 ATOM 4624a HWS SOL W796b -52.319 -43.920 -63.048 1.00 0.00 H 
    21479  
    21480 13 messages similar to the above omitted 
    21481 Duplicate atom serial number found: 46266 
    21482 Duplicate atom serial number found: 46268 
    21483 Ignored bad PDB record found on line 153859 
    21484 ATOM 4626a HWS SOL W7970 -36.712 -31.754 -58.461 1.00 0.00 H 
    21485  
    21486 Ignored bad PDB record found on line 153860 
    21487 ATOM 4626c OWS SOL W7971 -59.424 -23.722 -39.221 1.00 0.00 O 
    21488  
    21489 Ignored bad PDB record found on line 153861 
    21490 ATOM 4626e HWS SOL W7971 -60.164 -23.222 -38.877 1.00 0.00 H 
    21491  
    21492 Duplicate atom serial number found: 46270 
    21493 Duplicate atom serial number found: 46272 
    21494 Duplicate atom serial number found: 46274 
    21495 Duplicate atom serial number found: 46276 
    21496 Duplicate atom serial number found: 46278 
    21497 Ignored bad PDB record found on line 153867 
    21498 ATOM 4627a HWS SOL W7973 -53.392 -14.045 -52.492 1.00 0.00 H 
    21499  
    21500 Ignored bad PDB record found on line 153868 
    21501 ATOM 4627c HWS SOL W7973 -54.548 -14.874 -51.972 1.00 0.00 H 
    21502  
    21503 Ignored bad PDB record found on line 153869 
    21504 ATOM 4627e OWS SOL W7974 -68.900 -21.163 -57.250 1.00 0.00 O 
    21505  
    21506 Duplicate atom serial number found: 46280 
    21507 Duplicate atom serial number found: 46282 
    21508 Duplicate atom serial number found: 46284 
    21509 Duplicate atom serial number found: 46286 
    21510 Duplicate atom serial number found: 46288 
    21511 Ignored bad PDB record found on line 153875 
    21512 ATOM 4628a OWS SOL W7976 -80.356 -26.772 -28.464 1.00 0.00 O 
    21513  
    21514 Ignored bad PDB record found on line 153876 
    21515 ATOM 4628c HWS SOL W7976 -79.670 -27.015 -27.842 1.00 0.00 H 
    21516  
    21517 Ignored bad PDB record found on line 153877 
    21518 ATOM 4628e HWS SOL W7976 -79.890 -26.605 -29.283 1.00 0.00 H 
    21519  
    21520 Duplicate atom serial number found: 46290 
    21521 Duplicate atom serial number found: 46292 
    21522 Duplicate atom serial number found: 46294 
    21523 Duplicate atom serial number found: 46296 
    21524 Duplicate atom serial number found: 46298 
    21525 Ignored bad PDB record found on line 153883 
    21526 ATOM 4629a HWS SOL W7978 -65.899 0.751 -48.932 1.00 0.00 H 
    21527  
    21528 Ignored bad PDB record found on line 153884 
    21529 ATOM 4629c OWS SOL W7979 -50.320 -25.557 -59.972 1.00 0.00 O 
    21530  
    21531 Ignored bad PDB record found on line 153885 
    21532 ATOM 4629e HWS SOL W7979 -50.635 -24.662 -60.100 1.00 0.00 H 
    21533  
    21534 Ignored bad PDB record found on line 153886 
    21535 ATOM 462a0 HWS SOL W7979 -49.375 -25.465 -59.853 1.00 0.00 H 
    21536  
    21537 Ignored bad PDB record found on line 153887 
    21538 ATOM 462a2 OWS SOL W797a -54.627 -35.447 -72.809 1.00 0.00 O 
    21539  
    21540 46 messages similar to the above omitted 
    21541 Duplicate atom serial number found: 46300 
    21542 Ignored bad PDB record found on line 153935 
    21543 ATOM 46302 OWS SOL W798a -52.589 -21.772 -44.917 1.00 0.00 O 
    21544  
    21545 Ignored bad PDB record found on line 153936 
    21546 ATOM 46304 HWS SOL W798a -52.530 -21.628 -43.973 1.00 0.00 H 
    21547  
    21548 Ignored bad PDB record found on line 153937 
    21549 ATOM 46306 HWS SOL W798a -52.610 -22.724 -45.013 1.00 0.00 H 
    21550  
    21551 Ignored bad PDB record found on line 153938 
    21552 ATOM 46308 OWS SOL W798b -60.247 -15.058 -52.079 1.00 0.00 O 
    21553  
    21554 Ignored bad PDB record found on line 153939 
    21555 ATOM 4630a HWS SOL W798b -60.888 -15.031 -51.368 1.00 0.00 H 
    21556  
    21557 13 messages similar to the above omitted 
    21558 Duplicate atom serial number found: 46326 
    21559 Duplicate atom serial number found: 46328 
    21560 Ignored bad PDB record found on line 153955 
    21561 ATOM 4632a HWS SOL W7990 -56.203 -14.789 -78.455 1.00 0.00 H 
    21562  
    21563 Ignored bad PDB record found on line 153956 
    21564 ATOM 4632c OWS SOL W7991 -58.851 -34.425 -85.551 1.00 0.00 O 
    21565  
    21566 Ignored bad PDB record found on line 153957 
    21567 ATOM 4632e HWS SOL W7991 -59.333 -35.183 -85.222 1.00 0.00 H 
    21568  
    21569 Duplicate atom serial number found: 46330 
    21570 Duplicate atom serial number found: 46332 
    21571 Duplicate atom serial number found: 46334 
    21572 Duplicate atom serial number found: 46336 
    21573 Duplicate atom serial number found: 46338 
    21574 Ignored bad PDB record found on line 153963 
    21575 ATOM 4633a HWS SOL W7993 -67.366 -43.014 -80.679 1.00 0.00 H 
    21576  
    21577 Ignored bad PDB record found on line 153964 
    21578 ATOM 4633c HWS SOL W7993 -67.741 -41.561 -80.874 1.00 0.00 H 
    21579  
    21580 Ignored bad PDB record found on line 153965 
    21581 ATOM 4633e OWS SOL W7994 -76.329 -18.667 -41.793 1.00 0.00 O 
    21582  
    21583 Duplicate atom serial number found: 46340 
    21584 Duplicate atom serial number found: 46342 
    21585 Duplicate atom serial number found: 46344 
    21586 Duplicate atom serial number found: 46346 
    21587 Duplicate atom serial number found: 46348 
    21588 Ignored bad PDB record found on line 153971 
    21589 ATOM 4634a OWS SOL W7996 -63.921 -42.870 -56.947 1.00 0.00 O 
    21590  
    21591 Ignored bad PDB record found on line 153972 
    21592 ATOM 4634c HWS SOL W7996 -64.398 -42.049 -57.068 1.00 0.00 H 
    21593  
    21594 Ignored bad PDB record found on line 153973 
    21595 ATOM 4634e HWS SOL W7996 -63.969 -43.304 -57.799 1.00 0.00 H 
    21596  
    21597 Duplicate atom serial number found: 46350 
    21598 Duplicate atom serial number found: 46352 
    21599 Duplicate atom serial number found: 46354 
    21600 Duplicate atom serial number found: 46356 
    21601 Duplicate atom serial number found: 46358 
    21602 Ignored bad PDB record found on line 153979 
    21603 ATOM 4635a HWS SOL W7998 -80.443 -4.112 -44.703 1.00 0.00 H 
    21604  
    21605 Ignored bad PDB record found on line 153980 
    21606 ATOM 4635c OWS SOL W7999 -69.924 -40.155 -60.653 1.00 0.00 O 
    21607  
    21608 Ignored bad PDB record found on line 153981 
    21609 ATOM 4635e HWS SOL W7999 -69.391 -40.849 -61.041 1.00 0.00 H 
    21610  
    21611 Duplicate atom serial number found: 46360 
    21612 Ignored bad PDB record found on line 153983 
    21613 ATOM 46362 OWS SOL W799a -56.744 -31.525 -49.321 1.00 0.00 O 
    21614  
    21615 Ignored bad PDB record found on line 153984 
    21616 ATOM 46364 HWS SOL W799a -57.409 -30.879 -49.559 1.00 0.00 H 
    21617  
    21618 Ignored bad PDB record found on line 153985 
    21619 ATOM 46366 HWS SOL W799a -57.069 -31.915 -48.509 1.00 0.00 H 
    21620  
    21621 Ignored bad PDB record found on line 153986 
    21622 ATOM 46368 OWS SOL W799b -57.452 -18.820 -34.191 1.00 0.00 O 
    21623  
    21624 Ignored bad PDB record found on line 153987 
    21625 ATOM 4636a HWS SOL W799b -56.707 -19.078 -34.734 1.00 0.00 H 
    21626  
    21627 5706 messages similar to the above omitted 
    21628 Duplicate atom serial number found: 49000 
    21629 Duplicate atom serial number found: 49002 
    21630 Duplicate atom serial number found: 49004 
    21631 Duplicate atom serial number found: 49006 
    21632 Duplicate atom serial number found: 49008 
    21633 Ignored bad PDB record found on line 159699 
    21634 ATOM 4900a HWS SOL W8113 -61.891 -15.290 31.996 1.00 0.00 H 
    21635  
    21636 Ignored bad PDB record found on line 159700 
    21637 ATOM 4900c HWS SOL W8113 -60.981 -15.274 30.786 1.00 0.00 H 
    21638  
    21639 Ignored bad PDB record found on line 159701 
    21640 ATOM 4900e OWS SOL W8114 -80.900 -20.862 25.347 1.00 0.00 O 
    21641  
    21642 Duplicate atom serial number found: 49010 
    21643 Duplicate atom serial number found: 49012 
    21644 Duplicate atom serial number found: 49014 
    21645 Duplicate atom serial number found: 49016 
    21646 Duplicate atom serial number found: 49018 
    21647 Ignored bad PDB record found on line 159707 
    21648 ATOM 4901a OWS SOL W8116 -46.105 -27.689 25.489 1.00 0.00 O 
    21649  
    21650 Ignored bad PDB record found on line 159708 
    21651 ATOM 4901c HWS SOL W8116 -46.352 -27.461 24.593 1.00 0.00 H 
    21652  
    21653 Ignored bad PDB record found on line 159709 
    21654 ATOM 4901e HWS SOL W8116 -45.703 -28.555 25.414 1.00 0.00 H 
    21655  
    21656 Duplicate atom serial number found: 49020 
    21657 Duplicate atom serial number found: 49022 
    21658 Duplicate atom serial number found: 49024 
    21659 Duplicate atom serial number found: 49026 
    21660 Duplicate atom serial number found: 49028 
    21661 Ignored bad PDB record found on line 159715 
    21662 ATOM 4902a HWS SOL W8118 -69.207 -36.278 56.454 1.00 0.00 H 
    21663  
    21664 Ignored bad PDB record found on line 159716 
    21665 ATOM 4902c OWS SOL W8119 -78.473 -19.448 32.262 1.00 0.00 O 
    21666  
    21667 Ignored bad PDB record found on line 159717 
    21668 ATOM 4902e HWS SOL W8119 -78.321 -18.838 32.984 1.00 0.00 H 
    21669  
    21670 Duplicate atom serial number found: 49030 
    21671 Ignored bad PDB record found on line 159719 
    21672 ATOM 49032 OWS SOL W811a -54.899 -23.274 34.075 1.00 0.00 O 
    21673  
    21674 Ignored bad PDB record found on line 159720 
    21675 ATOM 49034 HWS SOL W811a -55.578 -22.601 34.131 1.00 0.00 H 
    21676  
    21677 Ignored bad PDB record found on line 159721 
    21678 ATOM 49036 HWS SOL W811a -54.152 -22.828 33.676 1.00 0.00 H 
    21679  
    21680 Ignored bad PDB record found on line 159722 
    21681 ATOM 49038 OWS SOL W811b -57.032 -21.234 46.598 1.00 0.00 O 
    21682  
    21683 Ignored bad PDB record found on line 159723 
    21684 ATOM 4903a HWS SOL W811b -56.480 -21.110 45.825 1.00 0.00 H 
    21685  
    21686 13 messages similar to the above omitted 
    21687 Duplicate atom serial number found: 49056 
    21688 Duplicate atom serial number found: 49058 
    21689 Ignored bad PDB record found on line 159739 
    21690 ATOM 4905a HWS SOL W8120 -48.946 -30.763 8.277 1.00 0.00 H 
    21691  
    21692 Ignored bad PDB record found on line 159740 
    21693 ATOM 4905c OWS SOL W8121 -74.151 -46.793 48.781 1.00 0.00 O 
    21694  
    21695 Ignored bad PDB record found on line 159741 
    21696 ATOM 4905e HWS SOL W8121 -74.032 -47.257 49.610 1.00 0.00 H 
    21697  
    21698 Duplicate atom serial number found: 49060 
    21699 Duplicate atom serial number found: 49062 
    21700 Duplicate atom serial number found: 49064 
    21701 Duplicate atom serial number found: 49066 
    21702 Duplicate atom serial number found: 49068 
    21703 Ignored bad PDB record found on line 159747 
    21704 ATOM 4906a HWS SOL W8123 -68.623 -13.493 27.678 1.00 0.00 H 
    21705  
    21706 Ignored bad PDB record found on line 159748 
    21707 ATOM 4906c HWS SOL W8123 -69.810 -13.342 26.751 1.00 0.00 H 
    21708  
    21709 Ignored bad PDB record found on line 159749 
    21710 ATOM 4906e OWS SOL W8124 -79.089 -32.494 22.447 1.00 0.00 O 
    21711  
    21712 Duplicate atom serial number found: 49070 
    21713 Duplicate atom serial number found: 49072 
    21714 Duplicate atom serial number found: 49074 
    21715 Duplicate atom serial number found: 49076 
    21716 Duplicate atom serial number found: 49078 
    21717 Ignored bad PDB record found on line 159755 
    21718 ATOM 4907a OWS SOL W8126 -39.340 -16.158 31.171 1.00 0.00 O 
    21719  
    21720 Ignored bad PDB record found on line 159756 
    21721 ATOM 4907c HWS SOL W8126 -38.849 -15.402 30.847 1.00 0.00 H 
    21722  
    21723 Ignored bad PDB record found on line 159757 
    21724 ATOM 4907e HWS SOL W8126 -40.106 -15.780 31.601 1.00 0.00 H 
    21725  
    21726 Duplicate atom serial number found: 49080 
    21727 Duplicate atom serial number found: 49082 
    21728 Duplicate atom serial number found: 49084 
    21729 Duplicate atom serial number found: 49086 
    21730 Duplicate atom serial number found: 49088 
    21731 Ignored bad PDB record found on line 159763 
    21732 ATOM 4908a HWS SOL W8128 -70.433 -15.090 40.573 1.00 0.00 H 
    21733  
    21734 Ignored bad PDB record found on line 159764 
    21735 ATOM 4908c OWS SOL W8129 -77.231 -31.191 13.500 1.00 0.00 O 
    21736  
    21737 Ignored bad PDB record found on line 159765 
    21738 ATOM 4908e HWS SOL W8129 -76.302 -31.378 13.368 1.00 0.00 H 
    21739  
    21740 Duplicate atom serial number found: 49090 
    21741 Ignored bad PDB record found on line 159767 
    21742 ATOM 49092 OWS SOL W812a -73.641 -27.534 35.114 1.00 0.00 O 
    21743  
    21744 Ignored bad PDB record found on line 159768 
    21745 ATOM 49094 HWS SOL W812a -73.374 -26.848 35.727 1.00 0.00 H 
    21746  
    21747 Ignored bad PDB record found on line 159769 
    21748 ATOM 49096 HWS SOL W812a -74.596 -27.473 35.087 1.00 0.00 H 
    21749  
    21750 Ignored bad PDB record found on line 159770 
    21751 ATOM 49098 OWS SOL W812b -56.399 -44.189 33.386 1.00 0.00 O 
    21752  
    21753 Ignored bad PDB record found on line 159771 
    21754 ATOM 4909a HWS SOL W812b -57.293 -44.508 33.502 1.00 0.00 H 
    21755  
    21756 61 messages similar to the above omitted 
    21757 Duplicate atom serial number found: 49116 
    21758 Duplicate atom serial number found: 49118 
    21759 Ignored bad PDB record found on line 159835 
    21760 ATOM 4911a HWS SOL W8140 -48.567 -24.591 21.493 1.00 0.00 H 
    21761  
    21762 Ignored bad PDB record found on line 159836 
    21763 ATOM 4911c OWS SOL W8141 -55.508 -17.419 19.662 1.00 0.00 O 
    21764  
    21765 Ignored bad PDB record found on line 159837 
    21766 ATOM 4911e HWS SOL W8141 -54.870 -17.980 20.103 1.00 0.00 H 
    21767  
    21768 Duplicate atom serial number found: 49120 
    21769 Duplicate atom serial number found: 49122 
    21770 Duplicate atom serial number found: 49124 
    21771 Duplicate atom serial number found: 49126 
    21772 Duplicate atom serial number found: 49128 
    21773 Ignored bad PDB record found on line 159843 
    21774 ATOM 4912a HWS SOL W8143 -72.617 -0.266 18.254 1.00 0.00 H 
    21775  
    21776 Ignored bad PDB record found on line 159844 
    21777 ATOM 4912c HWS SOL W8143 -71.198 -0.793 18.266 1.00 0.00 H 
    21778  
    21779 Ignored bad PDB record found on line 159845 
    21780 ATOM 4912e OWS SOL W8144 -77.755 -49.312 31.950 1.00 0.00 O 
    21781  
    21782 Duplicate atom serial number found: 49130 
    21783 Duplicate atom serial number found: 49132 
    21784 Duplicate atom serial number found: 49134 
    21785 Duplicate atom serial number found: 49136 
    21786 Duplicate atom serial number found: 49138 
    21787 Ignored bad PDB record found on line 159851 
    21788 ATOM 4913a OWS SOL W8146 -41.804 -34.576 49.773 1.00 0.00 O 
    21789  
    21790 Ignored bad PDB record found on line 159852 
    21791 ATOM 4913c HWS SOL W8146 -41.583 -35.344 49.247 1.00 0.00 H 
    21792  
    21793 Ignored bad PDB record found on line 159853 
    21794 ATOM 4913e HWS SOL W8146 -42.112 -34.935 50.605 1.00 0.00 H 
    21795  
    21796 Duplicate atom serial number found: 49140 
    21797 Duplicate atom serial number found: 49142 
    21798 Duplicate atom serial number found: 49144 
    21799 Duplicate atom serial number found: 49146 
    21800 Duplicate atom serial number found: 49148 
    21801 Ignored bad PDB record found on line 159859 
    21802 ATOM 4914a HWS SOL W8148 -42.693 -36.262 11.430 1.00 0.00 H 
    21803  
    21804 Ignored bad PDB record found on line 159860 
    21805 ATOM 4914c OWS SOL W8149 -48.095 -32.122 28.679 1.00 0.00 O 
    21806  
    21807 Ignored bad PDB record found on line 159861 
    21808 ATOM 4914e HWS SOL W8149 -47.304 -32.435 29.117 1.00 0.00 H 
    21809  
    21810 Duplicate atom serial number found: 49150 
    21811 Ignored bad PDB record found on line 159863 
    21812 ATOM 49152 OWS SOL W814a -61.171 -35.959 19.738 1.00 0.00 O 
    21813  
    21814 Ignored bad PDB record found on line 159864 
    21815 ATOM 49154 HWS SOL W814a -61.660 -36.199 20.526 1.00 0.00 H 
    21816  
    21817 Ignored bad PDB record found on line 159865 
    21818 ATOM 49156 HWS SOL W814a -61.032 -35.016 19.820 1.00 0.00 H 
    21819  
    21820 Ignored bad PDB record found on line 159866 
    21821 ATOM 49158 OWS SOL W814b -56.531 -39.179 43.184 1.00 0.00 O 
    21822  
    21823 Ignored bad PDB record found on line 159867 
    21824 ATOM 4915a HWS SOL W814b -56.464 -38.878 42.278 1.00 0.00 H 
    21825  
    21826 13 messages similar to the above omitted 
    21827 Duplicate atom serial number found: 49176 
    21828 Duplicate atom serial number found: 49178 
    21829 Ignored bad PDB record found on line 159883 
    21830 ATOM 4917a HWS SOL W8150 -43.400 -40.804 27.181 1.00 0.00 H 
    21831  
    21832 Ignored bad PDB record found on line 159884 
    21833 ATOM 4917c OWS SOL W8151 -54.247 -26.633 33.412 1.00 0.00 O 
    21834  
    21835 Ignored bad PDB record found on line 159885 
    21836 ATOM 4917e HWS SOL W8151 -53.606 -25.954 33.206 1.00 0.00 H 
    21837  
    21838 Duplicate atom serial number found: 49180 
    21839 Duplicate atom serial number found: 49182 
    21840 Duplicate atom serial number found: 49184 
    21841 Duplicate atom serial number found: 49186 
    21842 Duplicate atom serial number found: 49188 
    21843 Ignored bad PDB record found on line 159891 
    21844 ATOM 4918a HWS SOL W8153 -44.010 -31.578 37.208 1.00 0.00 H 
    21845  
    21846 Ignored bad PDB record found on line 159892 
    21847 ATOM 4918c HWS SOL W8153 -43.872 -31.405 38.705 1.00 0.00 H 
    21848  
    21849 Ignored bad PDB record found on line 159893 
    21850 ATOM 4918e OWS SOL W8154 -45.516 -23.588 20.074 1.00 0.00 O 
    21851  
    21852 Duplicate atom serial number found: 49190 
    21853 Duplicate atom serial number found: 49192 
    21854 Duplicate atom serial number found: 49194 
    21855 Duplicate atom serial number found: 49196 
    21856 Duplicate atom serial number found: 49198 
    21857 Ignored bad PDB record found on line 159899 
    21858 ATOM 4919a OWS SOL W8156 -57.064 -21.564 33.462 1.00 0.00 O 
    21859  
    21860 Ignored bad PDB record found on line 159900 
    21861 ATOM 4919c HWS SOL W8156 -57.392 -21.434 32.572 1.00 0.00 H 
    21862  
    21863 Ignored bad PDB record found on line 159901 
    21864 ATOM 4919e HWS SOL W8156 -57.142 -20.704 33.875 1.00 0.00 H 
    21865  
    21866 Ignored bad PDB record found on line 159902 
    21867 ATOM 491a0 OWS SOL W8157 -34.760 -14.795 27.358 1.00 0.00 O 
    21868  
    21869 Ignored bad PDB record found on line 159903 
    21870 ATOM 491a2 HWS SOL W8157 -34.453 -14.121 27.965 1.00 0.00 H 
    21871  
    21872 46 messages similar to the above omitted 
    21873 Duplicate atom serial number found: 49200 
    21874 Duplicate atom serial number found: 49202 
    21875 Duplicate atom serial number found: 49204 
    21876 Duplicate atom serial number found: 49206 
    21877 Duplicate atom serial number found: 49208 
    21878 Ignored bad PDB record found on line 159955 
    21879 ATOM 4920a HWS SOL W8168 -56.249 -28.125 43.363 1.00 0.00 H 
    21880  
    21881 Ignored bad PDB record found on line 159956 
    21882 ATOM 4920c OWS SOL W8169 -67.267 -20.884 10.367 1.00 0.00 O 
    21883  
    21884 Ignored bad PDB record found on line 159957 
    21885 ATOM 4920e HWS SOL W8169 -67.961 -20.928 11.025 1.00 0.00 H 
    21886  
    21887 Duplicate atom serial number found: 49210 
    21888 Ignored bad PDB record found on line 159959 
    21889 ATOM 49212 OWS SOL W816a -82.084 -36.485 17.781 1.00 0.00 O 
    21890  
    21891 Ignored bad PDB record found on line 159960 
    21892 ATOM 49214 HWS SOL W816a -82.708 -36.178 18.438 1.00 0.00 H 
    21893  
    21894 Ignored bad PDB record found on line 159961 
    21895 ATOM 49216 HWS SOL W816a -81.663 -35.688 17.458 1.00 0.00 H 
    21896  
    21897 Ignored bad PDB record found on line 159962 
    21898 ATOM 49218 OWS SOL W816b -52.143 -36.854 44.783 1.00 0.00 O 
    21899  
    21900 Ignored bad PDB record found on line 159963 
    21901 ATOM 4921a HWS SOL W816b -52.897 -36.286 44.622 1.00 0.00 H 
    21902  
    21903 13 messages similar to the above omitted 
    21904 Duplicate atom serial number found: 49236 
    21905 Duplicate atom serial number found: 49238 
    21906 Ignored bad PDB record found on line 159979 
    21907 ATOM 4923a HWS SOL W8170 -52.687 -32.662 27.012 1.00 0.00 H 
    21908  
    21909 Ignored bad PDB record found on line 159980 
    21910 ATOM 4923c OWS SOL W8171 -32.219 -21.405 40.376 1.00 0.00 O 
    21911  
    21912 Ignored bad PDB record found on line 159981 
    21913 ATOM 4923e HWS SOL W8171 -32.011 -22.313 40.596 1.00 0.00 H 
    21914  
    21915 Duplicate atom serial number found: 49240 
    21916 Duplicate atom serial number found: 49242 
    21917 Duplicate atom serial number found: 49244 
    21918 Duplicate atom serial number found: 49246 
    21919 Duplicate atom serial number found: 49248 
    21920 Ignored bad PDB record found on line 159987 
    21921 ATOM 4924a HWS SOL W8173 -59.576 -20.708 30.886 1.00 0.00 H 
    21922  
    21923 Ignored bad PDB record found on line 159988 
    21924 ATOM 4924c HWS SOL W8173 -60.917 -20.728 30.183 1.00 0.00 H 
    21925  
    21926 Ignored bad PDB record found on line 159989 
    21927 ATOM 4924e OWS SOL W8174 -65.660 -30.362 55.052 1.00 0.00 O 
    21928  
    21929 Duplicate atom serial number found: 49250 
    21930 Duplicate atom serial number found: 49252 
    21931 Duplicate atom serial number found: 49254 
    21932 Duplicate atom serial number found: 49256 
    21933 Duplicate atom serial number found: 49258 
    21934 Ignored bad PDB record found on line 159995 
    21935 ATOM 4925a OWS SOL W8176 -65.811 -16.290 27.011 1.00 0.00 O 
    21936  
    21937 Ignored bad PDB record found on line 159996 
    21938 ATOM 4925c HWS SOL W8176 -65.013 -16.731 27.301 1.00 0.00 H 
    21939  
    21940 Ignored bad PDB record found on line 159997 
    21941 ATOM 4925e HWS SOL W8176 -66.484 -16.971 27.032 1.00 0.00 H 
    21942  
    21943 Duplicate atom serial number found: 49260 
    21944 Duplicate atom serial number found: 49262 
    21945 Duplicate atom serial number found: 49264 
    21946 Duplicate atom serial number found: 49266 
    21947 Duplicate atom serial number found: 49268 
    21948 Ignored bad PDB record found on line 160003 
    21949 ATOM 4926a HWS SOL W8178 -62.387 -20.062 25.793 1.00 0.00 H 
    21950  
    21951 Ignored bad PDB record found on line 160004 
    21952 ATOM 4926c OWS SOL W8179 -58.140 -30.266 26.107 1.00 0.00 O 
    21953  
    21954 Ignored bad PDB record found on line 160005 
    21955 ATOM 4926e HWS SOL W8179 -57.723 -30.373 26.962 1.00 0.00 H 
    21956  
    21957 Duplicate atom serial number found: 49270 
    21958 Ignored bad PDB record found on line 160007 
    21959 ATOM 49272 OWS SOL W817a -60.962 -33.511 35.082 1.00 0.00 O 
    21960  
    21961 Ignored bad PDB record found on line 160008 
    21962 ATOM 49274 HWS SOL W817a -61.064 -33.049 35.914 1.00 0.00 H 
    21963  
    21964 Ignored bad PDB record found on line 160009 
    21965 ATOM 49276 HWS SOL W817a -61.815 -33.430 34.656 1.00 0.00 H 
    21966  
    21967 Ignored bad PDB record found on line 160010 
    21968 ATOM 49278 OWS SOL W817b -43.149 -13.593 35.375 1.00 0.00 O 
    21969  
    21970 Ignored bad PDB record found on line 160011 
    21971 ATOM 4927a HWS SOL W817b -42.723 -12.737 35.323 1.00 0.00 H 
    21972  
    21973 13 messages similar to the above omitted 
    21974 Duplicate atom serial number found: 49296 
    21975 Duplicate atom serial number found: 49298 
    21976 Ignored bad PDB record found on line 160027 
    21977 ATOM 4929a HWS SOL W8180 -65.745 -40.673 15.087 1.00 0.00 H 
    21978  
    21979 Ignored bad PDB record found on line 160028 
    21980 ATOM 4929c OWS SOL W8181 -50.074 -26.668 27.907 1.00 0.00 O 
    21981  
    21982 Ignored bad PDB record found on line 160029 
    21983 ATOM 4929e HWS SOL W8181 -50.392 -26.622 28.808 1.00 0.00 H 
    21984  
    21985 Ignored bad PDB record found on line 160030 
    21986 ATOM 492a0 HWS SOL W8181 -50.600 -26.024 27.433 1.00 0.00 H 
    21987  
    21988 Ignored bad PDB record found on line 160031 
    21989 ATOM 492a2 OWS SOL W8182 -51.947 -35.232 28.826 1.00 0.00 O 
    21990  
    21991 46 messages similar to the above omitted 
    21992 Duplicate atom serial number found: 49300 
    21993 Duplicate atom serial number found: 49302 
    21994 Duplicate atom serial number found: 49304 
    21995 Duplicate atom serial number found: 49306 
    21996 Duplicate atom serial number found: 49308 
    21997 Ignored bad PDB record found on line 160083 
    21998 ATOM 4930a HWS SOL W8193 -38.489 -33.095 33.833 1.00 0.00 H 
    21999  
    22000 Ignored bad PDB record found on line 160084 
    22001 ATOM 4930c HWS SOL W8193 -37.356 -33.398 34.790 1.00 0.00 H 
    22002  
    22003 Ignored bad PDB record found on line 160085 
    22004 ATOM 4930e OWS SOL W8194 -61.872 -39.597 10.434 1.00 0.00 O 
    22005  
    22006 Duplicate atom serial number found: 49310 
    22007 Duplicate atom serial number found: 49312 
    22008 Duplicate atom serial number found: 49314 
    22009 Duplicate atom serial number found: 49316 
    22010 Duplicate atom serial number found: 49318 
    22011 Ignored bad PDB record found on line 160091 
    22012 ATOM 4931a OWS SOL W8196 -49.711 -33.928 32.483 1.00 0.00 O 
    22013  
    22014 Ignored bad PDB record found on line 160092 
    22015 ATOM 4931c HWS SOL W8196 -50.420 -33.612 33.043 1.00 0.00 H 
    22016  
    22017 Ignored bad PDB record found on line 160093 
    22018 ATOM 4931e HWS SOL W8196 -49.057 -34.270 33.093 1.00 0.00 H 
    22019  
    22020 Duplicate atom serial number found: 49320 
    22021 Duplicate atom serial number found: 49322 
    22022 Duplicate atom serial number found: 49324 
    22023 Duplicate atom serial number found: 49326 
    22024 Duplicate atom serial number found: 49328 
    22025 Ignored bad PDB record found on line 160099 
    22026 ATOM 4932a HWS SOL W8198 -58.908 -48.502 39.213 1.00 0.00 H 
    22027  
    22028 Ignored bad PDB record found on line 160100 
    22029 ATOM 4932c OWS SOL W8199 -39.204 -16.343 23.873 1.00 0.00 O 
    22030  
    22031 Ignored bad PDB record found on line 160101 
    22032 ATOM 4932e HWS SOL W8199 -39.040 -15.923 24.718 1.00 0.00 H 
    22033  
    22034 Duplicate atom serial number found: 49330 
    22035 Ignored bad PDB record found on line 160103 
    22036 ATOM 49332 OWS SOL W819a -68.083 -27.251 35.447 1.00 0.00 O 
    22037  
    22038 Ignored bad PDB record found on line 160104 
    22039 ATOM 49334 HWS SOL W819a -67.133 -27.142 35.466 1.00 0.00 H 
    22040  
    22041 Ignored bad PDB record found on line 160105 
    22042 ATOM 49336 HWS SOL W819a -68.270 -27.575 34.566 1.00 0.00 H 
    22043  
    22044 Ignored bad PDB record found on line 160106 
    22045 ATOM 49338 OWS SOL W819b -46.322 -40.054 32.489 1.00 0.00 O 
    22046  
    22047 Ignored bad PDB record found on line 160107 
    22048 ATOM 4933a HWS SOL W819b -45.408 -40.086 32.771 1.00 0.00 H 
    22049  
    22050 298 messages similar to the above omitted 
    22051 Duplicate atom serial number found: 49590 
    22052 Duplicate atom serial number found: 49592 
    22053 Duplicate atom serial number found: 49594 
    22054 Duplicate atom serial number found: 49596 
    22055 Duplicate atom serial number found: 49598 
    22056 Ignored bad PDB record found on line 160411 
    22057 ATOM 4959a HWS SOL W8201 -34.775 -25.429 40.945 1.00 0.00 H 
    22058  
    22059 Ignored bad PDB record found on line 160412 
    22060 ATOM 4959c OWS SOL W8202 -68.520 -29.410 37.571 1.00 0.00 O 
    22061  
    22062 Ignored bad PDB record found on line 160413 
    22063 ATOM 4959e HWS SOL W8202 -69.134 -28.701 37.379 1.00 0.00 H 
    22064  
    22065 Ignored bad PDB record found on line 160414 
    22066 ATOM 495a0 HWS SOL W8202 -69.063 -30.199 37.588 1.00 0.00 H 
    22067  
    22068 Ignored bad PDB record found on line 160415 
    22069 ATOM 495a2 OWS SOL W8203 -53.212 -46.581 35.713 1.00 0.00 O 
    22070  
    22071 46 messages similar to the above omitted 
    22072 Duplicate atom serial number found: 49600 
    22073 Duplicate atom serial number found: 49602 
    22074 Duplicate atom serial number found: 49604 
    22075 Duplicate atom serial number found: 49606 
    22076 Duplicate atom serial number found: 49608 
    22077 Ignored bad PDB record found on line 160467 
    22078 ATOM 4960a HWS SOL W8214 -59.463 -29.708 22.191 1.00 0.00 H 
    22079  
    22080 Ignored bad PDB record found on line 160468 
    22081 ATOM 4960c HWS SOL W8214 -59.517 -28.306 22.760 1.00 0.00 H 
    22082  
    22083 Ignored bad PDB record found on line 160469 
    22084 ATOM 4960e OWS SOL W8215 -42.525 -32.710 35.900 1.00 0.00 O 
    22085  
    22086 Duplicate atom serial number found: 49610 
    22087 Duplicate atom serial number found: 49612 
    22088 Duplicate atom serial number found: 49614 
    22089 Duplicate atom serial number found: 49616 
    22090 Duplicate atom serial number found: 49618 
    22091 Ignored bad PDB record found on line 160475 
    22092 ATOM 4961a OWS SOL W8217 -82.102 -16.920 22.504 1.00 0.00 O 
    22093  
    22094 Ignored bad PDB record found on line 160476 
    22095 ATOM 4961c HWS SOL W8217 -82.210 -17.850 22.304 1.00 0.00 H 
    22096  
    22097 Ignored bad PDB record found on line 160477 
    22098 ATOM 4961e HWS SOL W8217 -82.797 -16.486 22.010 1.00 0.00 H 
    22099  
    22100 Duplicate atom serial number found: 49620 
    22101 Duplicate atom serial number found: 49622 
    22102 Duplicate atom serial number found: 49624 
    22103 Duplicate atom serial number found: 49626 
    22104 Duplicate atom serial number found: 49628 
    22105 Ignored bad PDB record found on line 160483 
    22106 ATOM 4962a HWS SOL W8219 -63.107 -17.663 44.914 1.00 0.00 H 
    22107  
    22108 Ignored bad PDB record found on line 160484 
    22109 ATOM 4962c OWS SOL W821a -70.142 -21.524 19.053 1.00 0.00 O 
    22110  
    22111 Ignored bad PDB record found on line 160485 
    22112 ATOM 4962e HWS SOL W821a -69.670 -22.333 19.252 1.00 0.00 H 
    22113  
    22114 Ignored bad PDB record found on line 160486 
    22115 ATOM 49630 HWS SOL W821a -69.705 -20.855 19.581 1.00 0.00 H 
    22116  
    22117 Ignored bad PDB record found on line 160487 
    22118 ATOM 49632 OWS SOL W821b -44.478 -33.782 25.434 1.00 0.00 O 
    22119  
    22120 14 messages similar to the above omitted 
    22121 Duplicate atom serial number found: 49650 
    22122 Duplicate atom serial number found: 49652 
    22123 Duplicate atom serial number found: 49654 
    22124 Duplicate atom serial number found: 49656 
    22125 Duplicate atom serial number found: 49658 
    22126 Ignored bad PDB record found on line 160507 
    22127 ATOM 4965a HWS SOL W8221 -35.113 -10.777 43.252 1.00 0.00 H 
    22128  
    22129 Ignored bad PDB record found on line 160508 
    22130 ATOM 4965c OWS SOL W8222 -44.166 -30.560 17.874 1.00 0.00 O 
    22131  
    22132 Ignored bad PDB record found on line 160509 
    22133 ATOM 4965e HWS SOL W8222 -44.285 -31.260 17.232 1.00 0.00 H 
    22134  
    22135 Duplicate atom serial number found: 49660 
    22136 Duplicate atom serial number found: 49662 
    22137 Duplicate atom serial number found: 49664 
    22138 Duplicate atom serial number found: 49666 
    22139 Duplicate atom serial number found: 49668 
    22140 Ignored bad PDB record found on line 160515 
    22141 ATOM 4966a HWS SOL W8224 -66.113 -30.822 21.286 1.00 0.00 H 
    22142  
    22143 Ignored bad PDB record found on line 160516 
    22144 ATOM 4966c HWS SOL W8224 -65.424 -30.727 19.941 1.00 0.00 H 
    22145  
    22146 Ignored bad PDB record found on line 160517 
    22147 ATOM 4966e OWS SOL W8225 -39.853 -19.241 38.732 1.00 0.00 O 
    22148  
    22149 Duplicate atom serial number found: 49670 
    22150 Duplicate atom serial number found: 49672 
    22151 Duplicate atom serial number found: 49674 
    22152 Duplicate atom serial number found: 49676 
    22153 Duplicate atom serial number found: 49678 
    22154 Ignored bad PDB record found on line 160523 
    22155 ATOM 4967a OWS SOL W8227 -66.205 -37.430 41.884 1.00 0.00 O 
    22156  
    22157 Ignored bad PDB record found on line 160524 
    22158 ATOM 4967c HWS SOL W8227 -66.579 -36.636 42.266 1.00 0.00 H 
    22159  
    22160 Ignored bad PDB record found on line 160525 
    22161 ATOM 4967e HWS SOL W8227 -66.435 -38.125 42.501 1.00 0.00 H 
    22162  
    22163 Duplicate atom serial number found: 49680 
    22164 Duplicate atom serial number found: 49682 
    22165 Duplicate atom serial number found: 49684 
    22166 Duplicate atom serial number found: 49686 
    22167 Duplicate atom serial number found: 49688 
    22168 Ignored bad PDB record found on line 160531 
    22169 ATOM 4968a HWS SOL W8229 -50.759 -42.401 47.083 1.00 0.00 H 
    22170  
    22171 Ignored bad PDB record found on line 160532 
    22172 ATOM 4968c OWS SOL W822a -53.367 -6.112 45.174 1.00 0.00 O 
    22173  
    22174 Ignored bad PDB record found on line 160533 
    22175 ATOM 4968e HWS SOL W822a -53.445 -5.241 44.785 1.00 0.00 H 
    22176  
    22177 Ignored bad PDB record found on line 160534 
    22178 ATOM 49690 HWS SOL W822a -53.711 -6.704 44.505 1.00 0.00 H 
    22179  
    22180 Ignored bad PDB record found on line 160535 
    22181 ATOM 49692 OWS SOL W822b -47.427 -29.552 32.643 1.00 0.00 O 
    22182  
    22183 62 messages similar to the above omitted 
    22184 Duplicate atom serial number found: 49710 
    22185 Duplicate atom serial number found: 49712 
    22186 Duplicate atom serial number found: 49714 
    22187 Duplicate atom serial number found: 49716 
    22188 Duplicate atom serial number found: 49718 
    22189 Ignored bad PDB record found on line 160603 
    22190 ATOM 4971a HWS SOL W8241 -44.351 -36.827 20.234 1.00 0.00 H 
    22191  
    22192 Ignored bad PDB record found on line 160604 
    22193 ATOM 4971c OWS SOL W8242 -61.420 -14.353 37.777 1.00 0.00 O 
    22194  
    22195 Ignored bad PDB record found on line 160605 
    22196 ATOM 4971e HWS SOL W8242 -61.397 -13.751 37.033 1.00 0.00 H 
    22197  
    22198 Duplicate atom serial number found: 49720 
    22199 Duplicate atom serial number found: 49722 
    22200 Duplicate atom serial number found: 49724 
    22201 Duplicate atom serial number found: 49726 
    22202 Duplicate atom serial number found: 49728 
    22203 Ignored bad PDB record found on line 160611 
    22204 ATOM 4972a HWS SOL W8244 -51.104 -45.706 28.740 1.00 0.00 H 
    22205  
    22206 Ignored bad PDB record found on line 160612 
    22207 ATOM 4972c HWS SOL W8244 -50.000 -46.062 29.712 1.00 0.00 H 
    22208  
    22209 Ignored bad PDB record found on line 160613 
    22210 ATOM 4972e OWS SOL W8245 -73.965 -27.362 24.964 1.00 0.00 O 
    22211  
    22212 Duplicate atom serial number found: 49730 
    22213 Duplicate atom serial number found: 49732 
    22214 Duplicate atom serial number found: 49734 
    22215 Duplicate atom serial number found: 49736 
    22216 Duplicate atom serial number found: 49738 
    22217 Ignored bad PDB record found on line 160619 
    22218 ATOM 4973a OWS SOL W8247 -47.652 -23.045 54.823 1.00 0.00 O 
    22219  
    22220 Ignored bad PDB record found on line 160620 
    22221 ATOM 4973c HWS SOL W8247 -48.227 -23.495 54.205 1.00 0.00 H 
    22222  
    22223 Ignored bad PDB record found on line 160621 
    22224 ATOM 4973e HWS SOL W8247 -47.801 -22.114 54.656 1.00 0.00 H 
    22225  
    22226 Duplicate atom serial number found: 49740 
    22227 Duplicate atom serial number found: 49742 
    22228 Duplicate atom serial number found: 49744 
    22229 Duplicate atom serial number found: 49746 
    22230 Duplicate atom serial number found: 49748 
    22231 Ignored bad PDB record found on line 160627 
    22232 ATOM 4974a HWS SOL W8249 -50.122 -16.526 22.891 1.00 0.00 H 
    22233  
    22234 Ignored bad PDB record found on line 160628 
    22235 ATOM 4974c OWS SOL W824a -51.598 -37.663 38.334 1.00 0.00 O 
    22236  
    22237 Ignored bad PDB record found on line 160629 
    22238 ATOM 4974e HWS SOL W824a -52.393 -37.319 38.742 1.00 0.00 H 
    22239  
    22240 Ignored bad PDB record found on line 160630 
    22241 ATOM 49750 HWS SOL W824a -51.372 -38.431 38.858 1.00 0.00 H 
    22242  
    22243 Ignored bad PDB record found on line 160631 
    22244 ATOM 49752 OWS SOL W824b -53.706 -3.756 25.820 1.00 0.00 O 
    22245  
    22246 14 messages similar to the above omitted 
    22247 Duplicate atom serial number found: 49770 
    22248 Duplicate atom serial number found: 49772 
    22249 Duplicate atom serial number found: 49774 
    22250 Duplicate atom serial number found: 49776 
    22251 Duplicate atom serial number found: 49778 
    22252 Ignored bad PDB record found on line 160651 
    22253 ATOM 4977a HWS SOL W8251 -47.902 -37.755 7.732 1.00 0.00 H 
    22254  
    22255 Ignored bad PDB record found on line 160652 
    22256 ATOM 4977c OWS SOL W8252 -54.716 -37.511 29.799 1.00 0.00 O 
    22257  
    22258 Ignored bad PDB record found on line 160653 
    22259 ATOM 4977e HWS SOL W8252 -53.789 -37.713 29.930 1.00 0.00 H 
    22260  
    22261 Duplicate atom serial number found: 49780 
    22262 Duplicate atom serial number found: 49782 
    22263 Duplicate atom serial number found: 49784 
    22264 Duplicate atom serial number found: 49786 
    22265 Duplicate atom serial number found: 49788 
    22266 Ignored bad PDB record found on line 160659 
    22267 ATOM 4978a HWS SOL W8254 -56.653 -37.519 44.184 1.00 0.00 H 
    22268  
    22269 Ignored bad PDB record found on line 160660 
    22270 ATOM 4978c HWS SOL W8254 -56.526 -37.188 45.656 1.00 0.00 H 
    22271  
    22272 Ignored bad PDB record found on line 160661 
    22273 ATOM 4978e OWS SOL W8255 -79.676 -30.796 45.271 1.00 0.00 O 
    22274  
    22275 Duplicate atom serial number found: 49790 
    22276 Duplicate atom serial number found: 49792 
    22277 Duplicate atom serial number found: 49794 
    22278 Duplicate atom serial number found: 49796 
    22279 Duplicate atom serial number found: 49798 
    22280 Ignored bad PDB record found on line 160667 
    22281 ATOM 4979a OWS SOL W8257 -41.883 -32.065 40.349 1.00 0.00 O 
    22282  
    22283 Ignored bad PDB record found on line 160668 
    22284 ATOM 4979c HWS SOL W8257 -41.014 -32.426 40.172 1.00 0.00 H 
    22285  
    22286 Ignored bad PDB record found on line 160669 
    22287 ATOM 4979e HWS SOL W8257 -41.816 -31.144 40.095 1.00 0.00 H 
    22288  
    22289 Ignored bad PDB record found on line 160670 
    22290 ATOM 497a0 OWS SOL W8258 -40.869 -25.973 30.226 1.00 0.00 O 
    22291  
    22292 Ignored bad PDB record found on line 160671 
    22293 ATOM 497a2 HWS SOL W8258 -41.485 -25.243 30.291 1.00 0.00 H 
    22294  
    22295 46 messages similar to the above omitted 
    22296 Duplicate atom serial number found: 49800 
    22297 Duplicate atom serial number found: 49802 
    22298 Duplicate atom serial number found: 49804 
    22299 Duplicate atom serial number found: 49806 
    22300 Duplicate atom serial number found: 49808 
    22301 Ignored bad PDB record found on line 160723 
    22302 ATOM 4980a HWS SOL W8269 -71.548 -49.063 14.528 1.00 0.00 H 
    22303  
    22304 Ignored bad PDB record found on line 160724 
    22305 ATOM 4980c OWS SOL W826a -52.558 -12.379 37.071 1.00 0.00 O 
    22306  
    22307 Ignored bad PDB record found on line 160725 
    22308 ATOM 4980e HWS SOL W826a -52.421 -12.827 37.905 1.00 0.00 H 
    22309  
    22310 Ignored bad PDB record found on line 160726 
    22311 ATOM 49810 HWS SOL W826a -51.910 -12.765 36.482 1.00 0.00 H 
    22312  
    22313 Ignored bad PDB record found on line 160727 
    22314 ATOM 49812 OWS SOL W826b -64.520 -14.753 32.466 1.00 0.00 O 
    22315  
    22316 14 messages similar to the above omitted 
    22317 Duplicate atom serial number found: 49830 
    22318 Duplicate atom serial number found: 49832 
    22319 Duplicate atom serial number found: 49834 
    22320 Duplicate atom serial number found: 49836 
    22321 Duplicate atom serial number found: 49838 
    22322 Ignored bad PDB record found on line 160747 
    22323 ATOM 4983a HWS SOL W8271 -43.162 -24.078 29.453 1.00 0.00 H 
    22324  
    22325 Ignored bad PDB record found on line 160748 
    22326 ATOM 4983c OWS SOL W8272 -51.108 -39.809 40.148 1.00 0.00 O 
    22327  
    22328 Ignored bad PDB record found on line 160749 
    22329 ATOM 4983e HWS SOL W8272 -50.651 -39.269 40.793 1.00 0.00 H 
    22330  
    22331 Duplicate atom serial number found: 49840 
    22332 Duplicate atom serial number found: 49842 
    22333 Duplicate atom serial number found: 49844 
    22334 Duplicate atom serial number found: 49846 
    22335 Duplicate atom serial number found: 49848 
    22336 Ignored bad PDB record found on line 160755 
    22337 ATOM 4984a HWS SOL W8274 -50.139 -36.665 34.208 1.00 0.00 H 
    22338  
    22339 Ignored bad PDB record found on line 160756 
    22340 ATOM 4984c HWS SOL W8274 -49.503 -35.418 34.786 1.00 0.00 H 
    22341  
    22342 Ignored bad PDB record found on line 160757 
    22343 ATOM 4984e OWS SOL W8275 -54.223 -42.503 39.282 1.00 0.00 O 
    22344  
    22345 Duplicate atom serial number found: 49850 
    22346 Duplicate atom serial number found: 49852 
    22347 Duplicate atom serial number found: 49854 
    22348 Duplicate atom serial number found: 49856 
    22349 Duplicate atom serial number found: 49858 
    22350 Ignored bad PDB record found on line 160763 
    22351 ATOM 4985a OWS SOL W8277 -49.864 -30.764 32.816 1.00 0.00 O 
    22352  
    22353 Ignored bad PDB record found on line 160764 
    22354 ATOM 4985c HWS SOL W8277 -50.407 -31.242 33.443 1.00 0.00 H 
    22355  
    22356 Ignored bad PDB record found on line 160765 
    22357 ATOM 4985e HWS SOL W8277 -50.089 -31.143 31.966 1.00 0.00 H 
    22358  
    22359 Duplicate atom serial number found: 49860 
    22360 Duplicate atom serial number found: 49862 
    22361 Duplicate atom serial number found: 49864 
    22362 Duplicate atom serial number found: 49866 
    22363 Duplicate atom serial number found: 49868 
    22364 Ignored bad PDB record found on line 160771 
    22365 ATOM 4986a HWS SOL W8279 -68.428 -20.504 40.099 1.00 0.00 H 
    22366  
    22367 Ignored bad PDB record found on line 160772 
    22368 ATOM 4986c OWS SOL W827a -56.903 -26.678 39.948 1.00 0.00 O 
    22369  
    22370 Ignored bad PDB record found on line 160773 
    22371 ATOM 4986e HWS SOL W827a -57.047 -27.121 40.785 1.00 0.00 H 
    22372  
    22373 Ignored bad PDB record found on line 160774 
    22374 ATOM 49870 HWS SOL W827a -56.021 -26.314 40.017 1.00 0.00 H 
    22375  
    22376 Ignored bad PDB record found on line 160775 
    22377 ATOM 49872 OWS SOL W827b -49.527 -21.571 34.571 1.00 0.00 O 
    22378  
    22379 14 messages similar to the above omitted 
    22380 Duplicate atom serial number found: 49890 
    22381 Duplicate atom serial number found: 49892 
    22382 Duplicate atom serial number found: 49894 
    22383 Duplicate atom serial number found: 49896 
    22384 Duplicate atom serial number found: 49898 
    22385 Ignored bad PDB record found on line 160795 
    22386 ATOM 4989a HWS SOL W8281 -43.467 -23.797 35.654 1.00 0.00 H 
    22387  
    22388 Ignored bad PDB record found on line 160796 
    22389 ATOM 4989c OWS SOL W8282 -63.580 -37.978 43.079 1.00 0.00 O 
    22390  
    22391 Ignored bad PDB record found on line 160797 
    22392 ATOM 4989e HWS SOL W8282 -62.764 -38.466 42.966 1.00 0.00 H 
    22393  
    22394 Ignored bad PDB record found on line 160798 
    22395 ATOM 498a0 HWS SOL W8282 -63.942 -37.906 42.196 1.00 0.00 H 
    22396  
    22397 Ignored bad PDB record found on line 160799 
    22398 ATOM 498a2 OWS SOL W8283 -45.081 -34.193 19.690 1.00 0.00 O 
    22399  
    22400 46 messages similar to the above omitted 
    22401 Duplicate atom serial number found: 49900 
    22402 Duplicate atom serial number found: 49902 
    22403 Duplicate atom serial number found: 49904 
    22404 Duplicate atom serial number found: 49906 
    22405 Duplicate atom serial number found: 49908 
    22406 Ignored bad PDB record found on line 160851 
    22407 ATOM 4990a HWS SOL W8294 -29.728 -24.365 39.015 1.00 0.00 H 
    22408  
    22409 Ignored bad PDB record found on line 160852 
    22410 ATOM 4990c HWS SOL W8294 -30.256 -25.770 38.819 1.00 0.00 H 
    22411  
    22412 Ignored bad PDB record found on line 160853 
    22413 ATOM 4990e OWS SOL W8295 89.462 -20.223 29.281 1.00 0.00 O 
    22414  
    22415 Duplicate atom serial number found: 49910 
    22416 Duplicate atom serial number found: 49912 
    22417 Duplicate atom serial number found: 49914 
    22418 Duplicate atom serial number found: 49916 
    22419 Duplicate atom serial number found: 49918 
    22420 Ignored bad PDB record found on line 160859 
    22421 ATOM 4991a OWS SOL W8297 -73.604 -34.523 30.043 1.00 0.00 O 
    22422  
    22423 Ignored bad PDB record found on line 160860 
    22424 ATOM 4991c HWS SOL W8297 -74.078 -34.786 30.833 1.00 0.00 H 
    22425  
    22426 Ignored bad PDB record found on line 160861 
    22427 ATOM 4991e HWS SOL W8297 -74.281 -34.183 29.459 1.00 0.00 H 
    22428  
    22429 Duplicate atom serial number found: 49920 
    22430 Duplicate atom serial number found: 49922 
    22431 Duplicate atom serial number found: 49924 
    22432 Duplicate atom serial number found: 49926 
    22433 Duplicate atom serial number found: 49928 
    22434 Ignored bad PDB record found on line 160867 
    22435 ATOM 4992a HWS SOL W8299 -53.560 -45.850 59.983 1.00 0.00 H 
    22436  
    22437 Ignored bad PDB record found on line 160868 
    22438 ATOM 4992c OWS SOL W829a -61.122 2.831 27.336 1.00 0.00 O 
    22439  
    22440 Ignored bad PDB record found on line 160869 
    22441 ATOM 4992e HWS SOL W829a -61.252 1.893 27.476 1.00 0.00 H 
    22442  
    22443 Ignored bad PDB record found on line 160870 
    22444 ATOM 49930 HWS SOL W829a -61.224 2.949 26.392 1.00 0.00 H 
    22445  
    22446 Ignored bad PDB record found on line 160871 
    22447 ATOM 49932 OWS SOL W829b -75.285 -6.545 19.219 1.00 0.00 O 
    22448  
    22449 13286 messages similar to the above omitted 
    22450 Duplicate atom serial number found: 50100 
    22451 Duplicate atom serial number found: 50102 
    22452 Duplicate atom serial number found: 50104 
    22453 Duplicate atom serial number found: 50106 
    22454 Duplicate atom serial number found: 50108 
    22455 Ignored bad PDB record found on line 174163 
    22456 ATOM 5010a HWS SOL W9403 -46.406 3.646 8.272 1.00 0.00 H 
    22457  
    22458 Ignored bad PDB record found on line 174164 
    22459 ATOM 5010c OWS SOL W9404 -51.263 -9.533 23.583 1.00 0.00 O 
    22460  
    22461 Ignored bad PDB record found on line 174165 
    22462 ATOM 5010e HWS SOL W9404 -52.195 -9.746 23.539 1.00 0.00 H 
    22463  
    22464 Duplicate atom serial number found: 50110 
    22465 Duplicate atom serial number found: 50112 
    22466 Duplicate atom serial number found: 50114 
    22467 Duplicate atom serial number found: 50116 
    22468 Duplicate atom serial number found: 50118 
    22469 Ignored bad PDB record found on line 174171 
    22470 ATOM 5011a HWS SOL W9406 -52.607 4.323 7.005 1.00 0.00 H 
    22471  
    22472 Ignored bad PDB record found on line 174172 
    22473 ATOM 5011c HWS SOL W9406 -51.344 4.015 7.781 1.00 0.00 H 
    22474  
    22475 Ignored bad PDB record found on line 174173 
    22476 ATOM 5011e OWS SOL W9407 -54.005 8.191 38.867 1.00 0.00 O 
    22477  
    22478 Duplicate atom serial number found: 50120 
    22479 Duplicate atom serial number found: 50122 
    22480 Duplicate atom serial number found: 50124 
    22481 Duplicate atom serial number found: 50126 
    22482 Duplicate atom serial number found: 50128 
    22483 Ignored bad PDB record found on line 174179 
    22484 ATOM 5012a OWS SOL W9409 -46.934 4.380 24.690 1.00 0.00 O 
    22485  
    22486 Ignored bad PDB record found on line 174180 
    22487 ATOM 5012c HWS SOL W9409 -47.430 4.947 24.099 1.00 0.00 H 
    22488  
    22489 Ignored bad PDB record found on line 174181 
    22490 ATOM 5012e HWS SOL W9409 -46.265 3.981 24.134 1.00 0.00 H 
    22491  
    22492 Ignored bad PDB record found on line 174182 
    22493 ATOM 50130 OWS SOL W940a -78.422 6.035 28.681 1.00 0.00 O 
    22494  
    22495 Ignored bad PDB record found on line 174183 
    22496 ATOM 50132 HWS SOL W940a -77.736 6.702 28.716 1.00 0.00 H 
    22497  
    22498 16 messages similar to the above omitted 
    22499 Duplicate atom serial number found: 50154 
    22500 Duplicate atom serial number found: 50156 
    22501 Duplicate atom serial number found: 50158 
    22502 Ignored bad PDB record found on line 174203 
    22503 ATOM 5015a OWS SOL W9411 -67.369 1.359 33.108 1.00 0.00 O 
    22504  
    22505 Ignored bad PDB record found on line 174204 
    22506 ATOM 5015c HWS SOL W9411 -67.855 2.153 32.888 1.00 0.00 H 
    22507  
    22508 Ignored bad PDB record found on line 174205 
    22509 ATOM 5015e HWS SOL W9411 -66.449 1.617 33.054 1.00 0.00 H 
    22510  
    22511 Duplicate atom serial number found: 50160 
    22512 Duplicate atom serial number found: 50162 
    22513 Duplicate atom serial number found: 50164 
    22514 Duplicate atom serial number found: 50166 
    22515 Duplicate atom serial number found: 50168 
    22516 Ignored bad PDB record found on line 174211 
    22517 ATOM 5016a HWS SOL W9413 -43.347 2.486 37.381 1.00 0.00 H 
    22518  
    22519 Ignored bad PDB record found on line 174212 
    22520 ATOM 5016c OWS SOL W9414 -48.503 -2.211 24.676 1.00 0.00 O 
    22521  
    22522 Ignored bad PDB record found on line 174213 
    22523 ATOM 5016e HWS SOL W9414 -48.696 -3.047 24.251 1.00 0.00 H 
    22524  
    22525 Duplicate atom serial number found: 50170 
    22526 Duplicate atom serial number found: 50172 
    22527 Duplicate atom serial number found: 50174 
    22528 Duplicate atom serial number found: 50176 
    22529 Duplicate atom serial number found: 50178 
    22530 Ignored bad PDB record found on line 174219 
    22531 ATOM 5017a HWS SOL W9416 -62.362 -0.906 37.307 1.00 0.00 H 
    22532  
    22533 Ignored bad PDB record found on line 174220 
    22534 ATOM 5017c HWS SOL W9416 -63.434 -1.846 36.798 1.00 0.00 H 
    22535  
    22536 Ignored bad PDB record found on line 174221 
    22537 ATOM 5017e OWS SOL W9417 -51.126 -4.603 53.416 1.00 0.00 O 
    22538  
    22539 Duplicate atom serial number found: 50180 
    22540 Duplicate atom serial number found: 50182 
    22541 Duplicate atom serial number found: 50184 
    22542 Duplicate atom serial number found: 50186 
    22543 Duplicate atom serial number found: 50188 
    22544 Ignored bad PDB record found on line 174227 
    22545 ATOM 5018a OWS SOL W9419 -53.270 14.456 35.381 1.00 0.00 O 
    22546  
    22547 Ignored bad PDB record found on line 174228 
    22548 ATOM 5018c HWS SOL W9419 -53.535 13.856 34.685 1.00 0.00 H 
    22549  
    22550 Ignored bad PDB record found on line 174229 
    22551 ATOM 5018e HWS SOL W9419 -52.345 14.258 35.530 1.00 0.00 H 
    22552  
    22553 Ignored bad PDB record found on line 174230 
    22554 ATOM 50190 OWS SOL W941a -50.591 1.906 43.337 1.00 0.00 O 
    22555  
    22556 Ignored bad PDB record found on line 174231 
    22557 ATOM 50192 HWS SOL W941a -51.222 1.579 42.697 1.00 0.00 H 
    22558  
    22559 64 messages similar to the above omitted 
    22560 Duplicate atom serial number found: 50214 
    22561 Duplicate atom serial number found: 50216 
    22562 Duplicate atom serial number found: 50218 
    22563 Ignored bad PDB record found on line 174299 
    22564 ATOM 5021a OWS SOL W9431 -32.490 20.379 8.175 1.00 0.00 O 
    22565  
    22566 Ignored bad PDB record found on line 174300 
    22567 ATOM 5021c HWS SOL W9431 -32.377 19.817 8.942 1.00 0.00 H 
    22568  
    22569 Ignored bad PDB record found on line 174301 
    22570 ATOM 5021e HWS SOL W9431 -33.128 19.918 7.631 1.00 0.00 H 
    22571  
    22572 Duplicate atom serial number found: 50220 
    22573 Duplicate atom serial number found: 50222 
    22574 Duplicate atom serial number found: 50224 
    22575 Duplicate atom serial number found: 50226 
    22576 Duplicate atom serial number found: 50228 
    22577 Ignored bad PDB record found on line 174307 
    22578 ATOM 5022a HWS SOL W9433 -57.528 -4.004 27.336 1.00 0.00 H 
    22579  
    22580 Ignored bad PDB record found on line 174308 
    22581 ATOM 5022c OWS SOL W9434 -49.360 0.544 30.080 1.00 0.00 O 
    22582  
    22583 Ignored bad PDB record found on line 174309 
    22584 ATOM 5022e HWS SOL W9434 -49.156 0.756 30.990 1.00 0.00 H 
    22585  
    22586 Duplicate atom serial number found: 50230 
    22587 Duplicate atom serial number found: 50232 
    22588 Duplicate atom serial number found: 50234 
    22589 Duplicate atom serial number found: 50236 
    22590 Duplicate atom serial number found: 50238 
    22591 Ignored bad PDB record found on line 174315 
    22592 ATOM 5023a HWS SOL W9436 -63.589 23.510 41.450 1.00 0.00 H 
    22593  
    22594 Ignored bad PDB record found on line 174316 
    22595 ATOM 5023c HWS SOL W9436 -64.084 23.305 42.866 1.00 0.00 H 
    22596  
    22597 Ignored bad PDB record found on line 174317 
    22598 ATOM 5023e OWS SOL W9437 -57.247 13.377 40.380 1.00 0.00 O 
    22599  
    22600 Duplicate atom serial number found: 50240 
    22601 Duplicate atom serial number found: 50242 
    22602 Duplicate atom serial number found: 50244 
    22603 Duplicate atom serial number found: 50246 
    22604 Duplicate atom serial number found: 50248 
    22605 Ignored bad PDB record found on line 174323 
    22606 ATOM 5024a OWS SOL W9439 -45.937 33.252 18.862 1.00 0.00 O 
    22607  
    22608 Ignored bad PDB record found on line 174324 
    22609 ATOM 5024c HWS SOL W9439 -46.282 34.077 18.521 1.00 0.00 H 
    22610  
    22611 Ignored bad PDB record found on line 174325 
    22612 ATOM 5024e HWS SOL W9439 -44.989 33.321 18.742 1.00 0.00 H 
    22613  
    22614 Ignored bad PDB record found on line 174326 
    22615 ATOM 50250 OWS SOL W943a -52.865 21.624 42.958 1.00 0.00 O 
    22616  
    22617 Ignored bad PDB record found on line 174327 
    22618 ATOM 50252 HWS SOL W943a -52.168 21.288 42.394 1.00 0.00 H 
    22619  
    22620 16 messages similar to the above omitted 
    22621 Duplicate atom serial number found: 50274 
    22622 Duplicate atom serial number found: 50276 
    22623 Duplicate atom serial number found: 50278 
    22624 Ignored bad PDB record found on line 174347 
    22625 ATOM 5027a OWS SOL W9441 -71.562 13.415 31.480 1.00 0.00 O 
    22626  
    22627 Ignored bad PDB record found on line 174348 
    22628 ATOM 5027c HWS SOL W9441 -71.473 14.102 32.139 1.00 0.00 H 
    22629  
    22630 Ignored bad PDB record found on line 174349 
    22631 ATOM 5027e HWS SOL W9441 -72.255 13.729 30.898 1.00 0.00 H 
    22632  
    22633 Duplicate atom serial number found: 50280 
    22634 Duplicate atom serial number found: 50282 
    22635 Duplicate atom serial number found: 50284 
    22636 Duplicate atom serial number found: 50286 
    22637 Duplicate atom serial number found: 50288 
    22638 Ignored bad PDB record found on line 174355 
    22639 ATOM 5028a HWS SOL W9444 -58.474 -16.081 32.541 1.00 0.00 H 
    22640  
    22641 Ignored bad PDB record found on line 174356 
    22642 ATOM 5028c OWS SOL W9445 -52.599 19.644 18.019 1.00 0.00 O 
    22643  
    22644 Ignored bad PDB record found on line 174357 
    22645 ATOM 5028e HWS SOL W9445 -52.686 18.785 18.434 1.00 0.00 H 
    22646  
    22647 Duplicate atom serial number found: 50290 
    22648 Duplicate atom serial number found: 50292 
    22649 Duplicate atom serial number found: 50294 
    22650 Duplicate atom serial number found: 50296 
    22651 Duplicate atom serial number found: 50298 
    22652 Ignored bad PDB record found on line 174363 
    22653 ATOM 5029a HWS SOL W9447 -46.241 2.419 34.024 1.00 0.00 H 
    22654  
    22655 Ignored bad PDB record found on line 174364 
    22656 ATOM 5029c HWS SOL W9447 -46.210 0.923 33.791 1.00 0.00 H 
    22657  
    22658 Ignored bad PDB record found on line 174365 
    22659 ATOM 5029e OWS SOL W9448 -41.545 1.367 47.592 1.00 0.00 O 
    22660  
    22661 Ignored bad PDB record found on line 174366 
    22662 ATOM 502a0 HWS SOL W9448 -40.975 1.468 48.354 1.00 0.00 H 
    22663  
    22664 Ignored bad PDB record found on line 174367 
    22665 ATOM 502a2 HWS SOL W9448 -41.571 0.423 47.435 1.00 0.00 H 
    22666  
    22667 46 messages similar to the above omitted 
    22668 Duplicate atom serial number found: 50300 
    22669 Duplicate atom serial number found: 50302 
    22670 Duplicate atom serial number found: 50304 
    22671 Duplicate atom serial number found: 50306 
    22672 Duplicate atom serial number found: 50308 
    22673 Ignored bad PDB record found on line 174419 
    22674 ATOM 5030a OWS SOL W945a -69.788 16.131 46.834 1.00 0.00 O 
    22675  
    22676 Ignored bad PDB record found on line 174420 
    22677 ATOM 5030c HWS SOL W945a -70.238 16.915 47.148 1.00 0.00 H 
    22678  
    22679 Ignored bad PDB record found on line 174421 
    22680 ATOM 5030e HWS SOL W945a -70.326 15.404 47.148 1.00 0.00 H 
    22681  
    22682 Ignored bad PDB record found on line 174422 
    22683 ATOM 50310 OWS SOL W945b -71.965 16.219 44.298 1.00 0.00 O 
    22684  
    22685 Ignored bad PDB record found on line 174423 
    22686 ATOM 50312 HWS SOL W945b -72.212 15.520 43.694 1.00 0.00 H 
    22687  
    22688 14 messages similar to the above omitted 
    22689 Duplicate atom serial number found: 50330 
    22690 Duplicate atom serial number found: 50332 
    22691 Duplicate atom serial number found: 50334 
    22692 Duplicate atom serial number found: 50336 
    22693 Duplicate atom serial number found: 50338 
    22694 Ignored bad PDB record found on line 174443 
    22695 ATOM 5033a OWS SOL W9462 -64.476 22.760 39.853 1.00 0.00 O 
    22696  
    22697 Ignored bad PDB record found on line 174444 
    22698 ATOM 5033c HWS SOL W9462 -64.746 22.427 38.998 1.00 0.00 H 
    22699  
    22700 Ignored bad PDB record found on line 174445 
    22701 ATOM 5033e HWS SOL W9462 -64.232 21.979 40.349 1.00 0.00 H 
    22702  
    22703 Duplicate atom serial number found: 50340 
    22704 Duplicate atom serial number found: 50342 
    22705 Duplicate atom serial number found: 50344 
    22706 Duplicate atom serial number found: 50346 
    22707 Duplicate atom serial number found: 50348 
    22708 Ignored bad PDB record found on line 174451 
    22709 ATOM 5034a HWS SOL W9464 -58.080 -11.957 23.109 1.00 0.00 H 
    22710  
    22711 Ignored bad PDB record found on line 174452 
    22712 ATOM 5034c OWS SOL W9465 -66.918 0.915 16.002 1.00 0.00 O 
    22713  
    22714 Ignored bad PDB record found on line 174453 
    22715 ATOM 5034e HWS SOL W9465 -67.193 0.128 15.533 1.00 0.00 H 
    22716  
    22717 Duplicate atom serial number found: 50350 
    22718 Duplicate atom serial number found: 50352 
    22719 Duplicate atom serial number found: 50354 
    22720 Duplicate atom serial number found: 50356 
    22721 Duplicate atom serial number found: 50358 
    22722 Ignored bad PDB record found on line 174459 
    22723 ATOM 5035a HWS SOL W9467 -48.042 7.536 50.398 1.00 0.00 H 
    22724  
    22725 Ignored bad PDB record found on line 174460 
    22726 ATOM 5035c HWS SOL W9467 -48.116 7.722 48.898 1.00 0.00 H 
    22727  
    22728 Ignored bad PDB record found on line 174461 
    22729 ATOM 5035e OWS SOL W9468 -51.247 -16.886 48.612 1.00 0.00 O 
    22730  
    22731 Duplicate atom serial number found: 50360 
    22732 Duplicate atom serial number found: 50362 
    22733 Duplicate atom serial number found: 50364 
    22734 Duplicate atom serial number found: 50366 
    22735 Duplicate atom serial number found: 50368 
    22736 Ignored bad PDB record found on line 174467 
    22737 ATOM 5036a OWS SOL W946a -27.801 -5.395 47.947 1.00 0.00 O 
    22738  
    22739 Ignored bad PDB record found on line 174468 
    22740 ATOM 5036c HWS SOL W946a -27.968 -4.862 47.169 1.00 0.00 H 
    22741  
    22742 Ignored bad PDB record found on line 174469 
    22743 ATOM 5036e HWS SOL W946a -26.878 -5.239 48.151 1.00 0.00 H 
    22744  
    22745 Ignored bad PDB record found on line 174470 
    22746 ATOM 50370 OWS SOL W946b -55.418 17.276 36.350 1.00 0.00 O 
    22747  
    22748 Ignored bad PDB record found on line 174471 
    22749 ATOM 50372 HWS SOL W946b -54.835 17.684 35.710 1.00 0.00 H 
    22750  
    22751 14 messages similar to the above omitted 
    22752 Duplicate atom serial number found: 50390 
    22753 Duplicate atom serial number found: 50392 
    22754 Duplicate atom serial number found: 50394 
    22755 Duplicate atom serial number found: 50396 
    22756 Duplicate atom serial number found: 50398 
    22757 Ignored bad PDB record found on line 174491 
    22758 ATOM 5039a OWS SOL W9472 -73.607 1.122 41.562 1.00 0.00 O 
    22759  
    22760 Ignored bad PDB record found on line 174492 
    22761 ATOM 5039c HWS SOL W9472 -74.266 1.787 41.759 1.00 0.00 H 
    22762  
    22763 Ignored bad PDB record found on line 174493 
    22764 ATOM 5039e HWS SOL W9472 -72.807 1.446 41.977 1.00 0.00 H 
    22765  
    22766 Ignored bad PDB record found on line 174494 
    22767 ATOM 503a0 OWS SOL W9473 -70.469 22.114 18.487 1.00 0.00 O 
    22768  
    22769 Ignored bad PDB record found on line 174495 
    22770 ATOM 503a2 HWS SOL W9473 -70.497 21.548 17.716 1.00 0.00 H 
    22771  
    22772 46 messages similar to the above omitted 
    22773 Duplicate atom serial number found: 50400 
    22774 Duplicate atom serial number found: 50402 
    22775 Duplicate atom serial number found: 50404 
    22776 Duplicate atom serial number found: 50406 
    22777 Duplicate atom serial number found: 50408 
    22778 Ignored bad PDB record found on line 174547 
    22779 ATOM 5040a HWS SOL W9484 -48.437 15.207 62.497 1.00 0.00 H 
    22780  
    22781 Ignored bad PDB record found on line 174548 
    22782 ATOM 5040c OWS SOL W9485 -66.063 21.697 27.042 1.00 0.00 O 
    22783  
    22784 Ignored bad PDB record found on line 174549 
    22785 ATOM 5040e HWS SOL W9485 -66.757 21.184 26.627 1.00 0.00 H 
    22786  
    22787 Duplicate atom serial number found: 50410 
    22788 Duplicate atom serial number found: 50412 
    22789 Duplicate atom serial number found: 50414 
    22790 Duplicate atom serial number found: 50416 
    22791 Duplicate atom serial number found: 50418 
    22792 Ignored bad PDB record found on line 174555 
    22793 ATOM 5041a HWS SOL W9487 -46.692 -6.532 41.631 1.00 0.00 H 
    22794  
    22795 Ignored bad PDB record found on line 174556 
    22796 ATOM 5041c HWS SOL W9487 -45.616 -6.812 40.603 1.00 0.00 H 
    22797  
    22798 Ignored bad PDB record found on line 174557 
    22799 ATOM 5041e OWS SOL W9488 -52.084 -10.659 41.987 1.00 0.00 O 
    22800  
    22801 Duplicate atom serial number found: 50420 
    22802 Duplicate atom serial number found: 50422 
    22803 Duplicate atom serial number found: 50424 
    22804 Duplicate atom serial number found: 50426 
    22805 Duplicate atom serial number found: 50428 
    22806 Ignored bad PDB record found on line 174563 
    22807 ATOM 5042a OWS SOL W948a -64.525 -1.234 39.404 1.00 0.00 O 
    22808  
    22809 Ignored bad PDB record found on line 174564 
    22810 ATOM 5042c HWS SOL W948a -63.577 -1.284 39.283 1.00 0.00 H 
    22811  
    22812 Ignored bad PDB record found on line 174565 
    22813 ATOM 5042e HWS SOL W948a -64.756 -2.059 39.831 1.00 0.00 H 
    22814  
    22815 Ignored bad PDB record found on line 174566 
    22816 ATOM 50430 OWS SOL W948b -49.397 2.967 24.251 1.00 0.00 O 
    22817  
    22818 Ignored bad PDB record found on line 174567 
    22819 ATOM 50432 HWS SOL W948b -48.504 3.186 24.520 1.00 0.00 H 
    22820  
    22821 14 messages similar to the above omitted 
    22822 Duplicate atom serial number found: 50450 
    22823 Duplicate atom serial number found: 50452 
    22824 Duplicate atom serial number found: 50454 
    22825 Duplicate atom serial number found: 50456 
    22826 Duplicate atom serial number found: 50458 
    22827 Ignored bad PDB record found on line 174587 
    22828 ATOM 5045a OWS SOL W9492 -42.406 -13.949 24.128 1.00 0.00 O 
    22829  
    22830 Ignored bad PDB record found on line 174588 
    22831 ATOM 5045c HWS SOL W9492 -42.337 -14.375 24.983 1.00 0.00 H 
    22832  
    22833 Ignored bad PDB record found on line 174589 
    22834 ATOM 5045e HWS SOL W9492 -41.503 -13.739 23.891 1.00 0.00 H 
    22835  
    22836 Duplicate atom serial number found: 50460 
    22837 Duplicate atom serial number found: 50462 
    22838 Duplicate atom serial number found: 50464 
    22839 Duplicate atom serial number found: 50466 
    22840 Duplicate atom serial number found: 50468 
    22841 Ignored bad PDB record found on line 174595 
    22842 ATOM 5046a HWS SOL W9494 -50.481 -9.600 11.782 1.00 0.00 H 
    22843  
    22844 Ignored bad PDB record found on line 174596 
    22845 ATOM 5046c OWS SOL W9495 -38.148 8.926 13.931 1.00 0.00 O 
    22846  
    22847 Ignored bad PDB record found on line 174597 
    22848 ATOM 5046e HWS SOL W9495 -38.163 8.784 14.877 1.00 0.00 H 
    22849  
    22850 Duplicate atom serial number found: 50470 
    22851 Duplicate atom serial number found: 50472 
    22852 Duplicate atom serial number found: 50474 
    22853 Duplicate atom serial number found: 50476 
    22854 Duplicate atom serial number found: 50478 
    22855 Ignored bad PDB record found on line 174603 
    22856 ATOM 5047a HWS SOL W9497 -53.249 22.823 39.293 1.00 0.00 H 
    22857  
    22858 Ignored bad PDB record found on line 174604 
    22859 ATOM 5047c HWS SOL W9497 -54.221 21.685 39.064 1.00 0.00 H 
    22860  
    22861 Ignored bad PDB record found on line 174605 
    22862 ATOM 5047e OWS SOL W9498 -54.855 13.720 37.523 1.00 0.00 O 
    22863  
    22864 Duplicate atom serial number found: 50480 
    22865 Duplicate atom serial number found: 50482 
    22866 Duplicate atom serial number found: 50484 
    22867 Duplicate atom serial number found: 50486 
    22868 Duplicate atom serial number found: 50488 
    22869 Ignored bad PDB record found on line 174611 
    22870 ATOM 5048a OWS SOL W949a -46.665 0.700 39.964 1.00 0.00 O 
    22871  
    22872 Ignored bad PDB record found on line 174612 
    22873 ATOM 5048c HWS SOL W949a -46.938 1.222 39.210 1.00 0.00 H 
    22874  
    22875 Ignored bad PDB record found on line 174613 
    22876 ATOM 5048e HWS SOL W949a -46.196 -0.043 39.585 1.00 0.00 H 
    22877  
    22878 Ignored bad PDB record found on line 174614 
    22879 ATOM 50490 OWS SOL W949b -51.795 13.132 46.890 1.00 0.00 O 
    22880  
    22881 Ignored bad PDB record found on line 174615 
    22882 ATOM 50492 HWS SOL W949b -51.523 12.277 47.225 1.00 0.00 H 
    22883  
    22884 310 messages similar to the above omitted 
    22885 Duplicate atom serial number found: 50700 
    22886 Duplicate atom serial number found: 50702 
    22887 Duplicate atom serial number found: 50704 
    22888 Duplicate atom serial number found: 50706 
    22889 Duplicate atom serial number found: 50708 
    22890 Ignored bad PDB record found on line 174931 
    22891 ATOM 5070a HWS SOL W9505 -70.516 31.807 60.757 1.00 0.00 H 
    22892  
    22893 Ignored bad PDB record found on line 174932 
    22894 ATOM 5070c OWS SOL W9506 -73.404 24.830 30.510 1.00 0.00 O 
    22895  
    22896 Ignored bad PDB record found on line 174933 
    22897 ATOM 5070e HWS SOL W9506 -72.711 25.395 30.170 1.00 0.00 H 
    22898  
    22899 Duplicate atom serial number found: 50710 
    22900 Duplicate atom serial number found: 50712 
    22901 Duplicate atom serial number found: 50714 
    22902 Duplicate atom serial number found: 50716 
    22903 Duplicate atom serial number found: 50718 
    22904 Ignored bad PDB record found on line 174939 
    22905 ATOM 5071a HWS SOL W9508 -48.688 15.956 45.925 1.00 0.00 H 
    22906  
    22907 Ignored bad PDB record found on line 174940 
    22908 ATOM 5071c HWS SOL W9508 -48.020 15.084 46.967 1.00 0.00 H 
    22909  
    22910 Ignored bad PDB record found on line 174941 
    22911 ATOM 5071e OWS SOL W9509 -54.155 -8.341 35.361 1.00 0.00 O 
    22912  
    22913 Duplicate atom serial number found: 50720 
    22914 Duplicate atom serial number found: 50722 
    22915 Ignored bad PDB record found on line 174944 
    22916 ATOM 50724 OWS SOL W950a -52.326 17.302 73.237 1.00 0.00 O 
    22917  
    22918 Ignored bad PDB record found on line 174945 
    22919 ATOM 50726 HWS SOL W950a -51.836 16.874 73.939 1.00 0.00 H 
    22920  
    22921 Ignored bad PDB record found on line 174946 
    22922 ATOM 50728 HWS SOL W950a -52.665 18.104 73.635 1.00 0.00 H 
    22923  
    22924 Ignored bad PDB record found on line 174947 
    22925 ATOM 5072a OWS SOL W950b -74.209 -6.776 31.582 1.00 0.00 O 
    22926  
    22927 Ignored bad PDB record found on line 174948 
    22928 ATOM 5072c HWS SOL W950b -73.967 -7.701 31.533 1.00 0.00 H 
    22929  
    22930 13 messages similar to the above omitted 
    22931 Duplicate atom serial number found: 50748 
    22932 Ignored bad PDB record found on line 174963 
    22933 ATOM 5074a HWS SOL W9510 -40.087 15.579 56.356 1.00 0.00 H 
    22934  
    22935 Ignored bad PDB record found on line 174964 
    22936 ATOM 5074c HWS SOL W9510 -40.582 16.621 57.336 1.00 0.00 H 
    22937  
    22938 Ignored bad PDB record found on line 174965 
    22939 ATOM 5074e OWS SOL W9511 -71.912 -12.307 52.024 1.00 0.00 O 
    22940  
    22941 Duplicate atom serial number found: 50750 
    22942 Duplicate atom serial number found: 50752 
    22943 Duplicate atom serial number found: 50754 
    22944 Duplicate atom serial number found: 50756 
    22945 Duplicate atom serial number found: 50758 
    22946 Ignored bad PDB record found on line 174971 
    22947 ATOM 5075a OWS SOL W9513 -84.713 -8.429 45.030 1.00 0.00 O 
    22948  
    22949 Ignored bad PDB record found on line 174972 
    22950 ATOM 5075c HWS SOL W9513 -85.634 -8.219 45.186 1.00 0.00 H 
    22951  
    22952 Ignored bad PDB record found on line 174973 
    22953 ATOM 5075e HWS SOL W9513 -84.375 -7.678 44.542 1.00 0.00 H 
    22954  
    22955 Duplicate atom serial number found: 50760 
    22956 Duplicate atom serial number found: 50762 
    22957 Duplicate atom serial number found: 50764 
    22958 Duplicate atom serial number found: 50766 
    22959 Duplicate atom serial number found: 50768 
    22960 Ignored bad PDB record found on line 174979 
    22961 ATOM 5076a HWS SOL W9515 -50.911 8.947 63.446 1.00 0.00 H 
    22962  
    22963 Ignored bad PDB record found on line 174980 
    22964 ATOM 5076c OWS SOL W9516 -51.797 -29.540 54.413 1.00 0.00 O 
    22965  
    22966 Ignored bad PDB record found on line 174981 
    22967 ATOM 5076e HWS SOL W9516 -51.653 -30.453 54.662 1.00 0.00 H 
    22968  
    22969 Duplicate atom serial number found: 50770 
    22970 Duplicate atom serial number found: 50772 
    22971 Duplicate atom serial number found: 50774 
    22972 Duplicate atom serial number found: 50776 
    22973 Duplicate atom serial number found: 50778 
    22974 Ignored bad PDB record found on line 174987 
    22975 ATOM 5077a HWS SOL W9519 -64.882 3.696 41.110 1.00 0.00 H 
    22976  
    22977 Ignored bad PDB record found on line 174988 
    22978 ATOM 5077c HWS SOL W9519 -64.607 5.032 41.769 1.00 0.00 H 
    22979  
    22980 Ignored bad PDB record found on line 174989 
    22981 ATOM 5077e OWS SOL W951a -44.064 9.067 69.755 1.00 0.00 O 
    22982  
    22983 Ignored bad PDB record found on line 174990 
    22984 ATOM 50780 HWS SOL W951a -43.408 8.955 70.443 1.00 0.00 H 
    22985  
    22986 Ignored bad PDB record found on line 174991 
    22987 ATOM 50782 HWS SOL W951a -43.803 9.870 69.304 1.00 0.00 H 
    22988  
    22989 63 messages similar to the above omitted 
    22990 Duplicate atom serial number found: 50802 
    22991 Duplicate atom serial number found: 50804 
    22992 Duplicate atom serial number found: 50806 
    22993 Duplicate atom serial number found: 50808 
    22994 Ignored bad PDB record found on line 175059 
    22995 ATOM 5080a HWS SOL W9531 -51.487 15.134 80.013 1.00 0.00 H 
    22996  
    22997 Ignored bad PDB record found on line 175060 
    22998 ATOM 5080c HWS SOL W9531 -50.195 15.921 79.938 1.00 0.00 H 
    22999  
    23000 Ignored bad PDB record found on line 175061 
    23001 ATOM 5080e OWS SOL W9532 -58.242 27.289 58.148 1.00 0.00 O 
    23002  
    23003 Duplicate atom serial number found: 50810 
    23004 Duplicate atom serial number found: 50812 
    23005 Duplicate atom serial number found: 50814 
    23006 Duplicate atom serial number found: 50816 
    23007 Duplicate atom serial number found: 50818 
    23008 Ignored bad PDB record found on line 175067 
    23009 ATOM 5081a OWS SOL W9534 -33.897 -4.085 51.074 1.00 0.00 O 
    23010  
    23011 Ignored bad PDB record found on line 175068 
    23012 ATOM 5081c HWS SOL W9534 -33.634 -4.032 50.155 1.00 0.00 H 
    23013  
    23014 Ignored bad PDB record found on line 175069 
    23015 ATOM 5081e HWS SOL W9534 -34.852 -4.016 51.054 1.00 0.00 H 
    23016  
    23017 Duplicate atom serial number found: 50820 
    23018 Duplicate atom serial number found: 50822 
    23019 Duplicate atom serial number found: 50824 
    23020 Duplicate atom serial number found: 50826 
    23021 Duplicate atom serial number found: 50828 
    23022 Ignored bad PDB record found on line 175075 
    23023 ATOM 5082a HWS SOL W9536 -55.041 15.274 42.675 1.00 0.00 H 
    23024  
    23025 Ignored bad PDB record found on line 175076 
    23026 ATOM 5082c OWS SOL W9537 -53.064 -3.052 54.870 1.00 0.00 O 
    23027  
    23028 Ignored bad PDB record found on line 175077 
    23029 ATOM 5082e HWS SOL W9537 -53.974 -2.760 54.825 1.00 0.00 H 
    23030  
    23031 Duplicate atom serial number found: 50830 
    23032 Duplicate atom serial number found: 50832 
    23033 Duplicate atom serial number found: 50834 
    23034 Duplicate atom serial number found: 50836 
    23035 Duplicate atom serial number found: 50838 
    23036 Ignored bad PDB record found on line 175083 
    23037 ATOM 5083a HWS SOL W9539 -57.778 4.392 38.066 1.00 0.00 H 
    23038  
    23039 Ignored bad PDB record found on line 175084 
    23040 ATOM 5083c HWS SOL W9539 -59.195 4.209 38.565 1.00 0.00 H 
    23041  
    23042 Ignored bad PDB record found on line 175085 
    23043 ATOM 5083e OWS SOL W953a -85.921 -7.403 62.051 1.00 0.00 O 
    23044  
    23045 Ignored bad PDB record found on line 175086 
    23046 ATOM 50840 HWS SOL W953a -86.634 -6.781 62.199 1.00 0.00 H 
    23047  
    23048 Ignored bad PDB record found on line 175087 
    23049 ATOM 50842 HWS SOL W953a -86.316 -8.100 61.528 1.00 0.00 H 
    23050  
    23051 15 messages similar to the above omitted 
    23052 Duplicate atom serial number found: 50862 
    23053 Duplicate atom serial number found: 50864 
    23054 Duplicate atom serial number found: 50866 
    23055 Duplicate atom serial number found: 50868 
    23056 Ignored bad PDB record found on line 175107 
    23057 ATOM 5086a HWS SOL W9541 -60.229 -4.249 57.722 1.00 0.00 H 
    23058  
    23059 Ignored bad PDB record found on line 175108 
    23060 ATOM 5086c HWS SOL W9541 -61.085 -3.373 56.832 1.00 0.00 H 
    23061  
    23062 Ignored bad PDB record found on line 175109 
    23063 ATOM 5086e OWS SOL W9542 -36.665 3.505 69.503 1.00 0.00 O 
    23064  
    23065 Duplicate atom serial number found: 50870 
    23066 Duplicate atom serial number found: 50872 
    23067 Duplicate atom serial number found: 50874 
    23068 Duplicate atom serial number found: 50876 
    23069 Duplicate atom serial number found: 50878 
    23070 Ignored bad PDB record found on line 175115 
    23071 ATOM 5087a OWS SOL W9544 -55.369 5.013 35.220 1.00 0.00 O 
    23072  
    23073 Ignored bad PDB record found on line 175116 
    23074 ATOM 5087c HWS SOL W9544 -55.795 4.282 35.668 1.00 0.00 H 
    23075  
    23076 Ignored bad PDB record found on line 175117 
    23077 ATOM 5087e HWS SOL W9544 -55.778 5.036 34.355 1.00 0.00 H 
    23078  
    23079 Duplicate atom serial number found: 50880 
    23080 Duplicate atom serial number found: 50882 
    23081 Duplicate atom serial number found: 50884 
    23082 Duplicate atom serial number found: 50886 
    23083 Duplicate atom serial number found: 50888 
    23084 Ignored bad PDB record found on line 175123 
    23085 ATOM 5088a HWS SOL W9546 -58.376 15.524 37.359 1.00 0.00 H 
    23086  
    23087 Ignored bad PDB record found on line 175124 
    23088 ATOM 5088c OWS SOL W9547 -62.980 11.012 51.097 1.00 0.00 O 
    23089  
    23090 Ignored bad PDB record found on line 175125 
    23091 ATOM 5088e HWS SOL W9547 -63.831 10.786 50.724 1.00 0.00 H 
    23092  
    23093 Duplicate atom serial number found: 50890 
    23094 Duplicate atom serial number found: 50892 
    23095 Duplicate atom serial number found: 50894 
    23096 Duplicate atom serial number found: 50896 
    23097 Duplicate atom serial number found: 50898 
    23098 Ignored bad PDB record found on line 175131 
    23099 ATOM 5089a HWS SOL W9549 -49.587 18.328 47.762 1.00 0.00 H 
    23100  
    23101 Ignored bad PDB record found on line 175132 
    23102 ATOM 5089c HWS SOL W9549 -49.032 19.730 47.890 1.00 0.00 H 
    23103  
    23104 Ignored bad PDB record found on line 175133 
    23105 ATOM 5089e OWS SOL W954a -58.220 9.208 -85.347 1.00 0.00 O 
    23106  
    23107 Ignored bad PDB record found on line 175134 
    23108 ATOM 508a0 HWS SOL W954a -58.145 10.155 -85.227 1.00 0.00 H 
    23109  
    23110 Ignored bad PDB record found on line 175135 
    23111 ATOM 508a2 HWS SOL W954a -57.558 8.839 -84.763 1.00 0.00 H 
    23112  
    23113 63 messages similar to the above omitted 
    23114 Duplicate atom serial number found: 50922 
    23115 Duplicate atom serial number found: 50924 
    23116 Duplicate atom serial number found: 50926 
    23117 Duplicate atom serial number found: 50928 
    23118 Ignored bad PDB record found on line 175203 
    23119 ATOM 5092a HWS SOL W9561 -57.237 24.565 49.603 1.00 0.00 H 
    23120  
    23121 Ignored bad PDB record found on line 175204 
    23122 ATOM 5092c HWS SOL W9561 -58.380 24.934 48.682 1.00 0.00 H 
    23123  
    23124 Ignored bad PDB record found on line 175205 
    23125 ATOM 5092e OWS SOL W9562 -44.439 -2.200 67.316 1.00 0.00 O 
    23126  
    23127 Duplicate atom serial number found: 50930 
    23128 Duplicate atom serial number found: 50932 
    23129 Duplicate atom serial number found: 50934 
    23130 Duplicate atom serial number found: 50936 
    23131 Duplicate atom serial number found: 50938 
    23132 Ignored bad PDB record found on line 175211 
    23133 ATOM 5093a OWS SOL W9564 -60.382 25.616 63.884 1.00 0.00 O 
    23134  
    23135 Ignored bad PDB record found on line 175212 
    23136 ATOM 5093c HWS SOL W9564 -59.959 26.431 64.151 1.00 0.00 H 
    23137  
    23138 Ignored bad PDB record found on line 175213 
    23139 ATOM 5093e HWS SOL W9564 -59.815 24.926 64.229 1.00 0.00 H 
    23140  
    23141 Duplicate atom serial number found: 50940 
    23142 Duplicate atom serial number found: 50942 
    23143 Duplicate atom serial number found: 50944 
    23144 Duplicate atom serial number found: 50946 
    23145 Duplicate atom serial number found: 50948 
    23146 Ignored bad PDB record found on line 175219 
    23147 ATOM 5094a HWS SOL W9566 -58.441 -3.923 61.035 1.00 0.00 H 
    23148  
    23149 Ignored bad PDB record found on line 175220 
    23150 ATOM 5094c OWS SOL W9567 -56.281 -23.134 74.030 1.00 0.00 O 
    23151  
    23152 Ignored bad PDB record found on line 175221 
    23153 ATOM 5094e HWS SOL W9567 -56.389 -23.649 73.230 1.00 0.00 H 
    23154  
    23155 Duplicate atom serial number found: 50950 
    23156 Duplicate atom serial number found: 50952 
    23157 Duplicate atom serial number found: 50954 
    23158 Duplicate atom serial number found: 50956 
    23159 Duplicate atom serial number found: 50958 
    23160 Ignored bad PDB record found on line 175227 
    23161 ATOM 5095a HWS SOL W9569 -53.433 23.516 45.842 1.00 0.00 H 
    23162  
    23163 Ignored bad PDB record found on line 175228 
    23164 ATOM 5095c HWS SOL W9569 -52.823 23.146 44.506 1.00 0.00 H 
    23165  
    23166 Ignored bad PDB record found on line 175229 
    23167 ATOM 5095e OWS SOL W956a -59.686 24.712 61.267 1.00 0.00 O 
    23168  
    23169 Ignored bad PDB record found on line 175230 
    23170 ATOM 50960 HWS SOL W956a -59.715 24.942 62.195 1.00 0.00 H 
    23171  
    23172 Ignored bad PDB record found on line 175231 
    23173 ATOM 50962 HWS SOL W956a -59.788 23.761 61.252 1.00 0.00 H 
    23174  
    23175 15 messages similar to the above omitted 
    23176 Duplicate atom serial number found: 50982 
    23177 Duplicate atom serial number found: 50984 
    23178 Duplicate atom serial number found: 50986 
    23179 Duplicate atom serial number found: 50988 
    23180 Ignored bad PDB record found on line 175251 
    23181 ATOM 5098a HWS SOL W9571 -68.675 -23.490 66.096 1.00 0.00 H 
    23182  
    23183 Ignored bad PDB record found on line 175252 
    23184 ATOM 5098c HWS SOL W9571 -67.447 -23.491 66.981 1.00 0.00 H 
    23185  
    23186 Ignored bad PDB record found on line 175253 
    23187 ATOM 5098e OWS SOL W9572 -43.287 -23.121 32.786 1.00 0.00 O 
    23188  
    23189 Duplicate atom serial number found: 50990 
    23190 Duplicate atom serial number found: 50992 
    23191 Duplicate atom serial number found: 50994 
    23192 Duplicate atom serial number found: 50996 
    23193 Duplicate atom serial number found: 50998 
    23194 Ignored bad PDB record found on line 175259 
    23195 ATOM 5099a OWS SOL W9574 -73.371 4.342 49.653 1.00 0.00 O 
    23196  
    23197 Ignored bad PDB record found on line 175260 
    23198 ATOM 5099c HWS SOL W9574 -72.682 4.292 48.991 1.00 0.00 H 
    23199  
    23200 Ignored bad PDB record found on line 175261 
    23201 ATOM 5099e HWS SOL W9574 -73.555 5.278 49.738 1.00 0.00 H 
    23202  
    23203 Ignored bad PDB record found on line 175262 
    23204 ATOM 509a0 OWS SOL W9575 -52.180 1.783 48.806 1.00 0.00 O 
    23205  
    23206 Ignored bad PDB record found on line 175263 
    23207 ATOM 509a2 HWS SOL W9575 -52.171 1.052 49.423 1.00 0.00 H 
    23208  
    23209 814 messages similar to the above omitted 
    23210 Duplicate atom serial number found: 51000 
    23211 Duplicate atom serial number found: 51002 
    23212 Duplicate atom serial number found: 51004 
    23213 Duplicate atom serial number found: 51006 
    23214 Duplicate atom serial number found: 51008 
    23215 Ignored bad PDB record found on line 176083 
    23216 ATOM 5100a HWS SOL W9688 -78.562 -1.764 43.734 1.00 0.00 H 
    23217  
    23218 Ignored bad PDB record found on line 176084 
    23219 ATOM 5100c OWS SOL W9689 -44.873 -13.410 55.191 1.00 0.00 O 
    23220  
    23221 Ignored bad PDB record found on line 176085 
    23222 ATOM 5100e HWS SOL W9689 -45.587 -12.906 54.801 1.00 0.00 H 
    23223  
    23224 Duplicate atom serial number found: 51010 
    23225 Ignored bad PDB record found on line 176087 
    23226 ATOM 51012 OWS SOL W968a -49.480 12.419 44.939 1.00 0.00 O 
    23227  
    23228 Ignored bad PDB record found on line 176088 
    23229 ATOM 51014 HWS SOL W968a -50.151 11.839 44.580 1.00 0.00 H 
    23230  
    23231 Ignored bad PDB record found on line 176089 
    23232 ATOM 51016 HWS SOL W968a -49.973 13.110 45.383 1.00 0.00 H 
    23233  
    23234 Ignored bad PDB record found on line 176090 
    23235 ATOM 51018 OWS SOL W968b -46.760 -23.080 43.275 1.00 0.00 O 
    23236  
    23237 Ignored bad PDB record found on line 176091 
    23238 ATOM 5101a HWS SOL W968b -46.732 -22.202 42.894 1.00 0.00 H 
    23239  
    23240 13 messages similar to the above omitted 
    23241 Duplicate atom serial number found: 51036 
    23242 Duplicate atom serial number found: 51038 
    23243 Ignored bad PDB record found on line 176107 
    23244 ATOM 5103a HWS SOL W9690 -52.448 4.478 63.023 1.00 0.00 H 
    23245  
    23246 Ignored bad PDB record found on line 176108 
    23247 ATOM 5103c OWS SOL W9691 -56.273 2.134 68.684 1.00 0.00 O 
    23248  
    23249 Ignored bad PDB record found on line 176109 
    23250 ATOM 5103e HWS SOL W9691 -57.104 2.440 68.321 1.00 0.00 H 
    23251  
    23252 Duplicate atom serial number found: 51040 
    23253 Duplicate atom serial number found: 51042 
    23254 Duplicate atom serial number found: 51044 
    23255 Duplicate atom serial number found: 51046 
    23256 Duplicate atom serial number found: 51048 
    23257 Ignored bad PDB record found on line 176115 
    23258 ATOM 5104a HWS SOL W9693 -80.186 15.061 42.622 1.00 0.00 H 
    23259  
    23260 Ignored bad PDB record found on line 176116 
    23261 ATOM 5104c HWS SOL W9693 -79.884 15.317 44.084 1.00 0.00 H 
    23262  
    23263 Ignored bad PDB record found on line 176117 
    23264 ATOM 5104e OWS SOL W9694 -38.708 13.311 22.578 1.00 0.00 O 
    23265  
    23266 Duplicate atom serial number found: 51050 
    23267 Duplicate atom serial number found: 51052 
    23268 Duplicate atom serial number found: 51054 
    23269 Duplicate atom serial number found: 51056 
    23270 Duplicate atom serial number found: 51058 
    23271 Ignored bad PDB record found on line 176123 
    23272 ATOM 5105a OWS SOL W9696 -37.032 -2.007 40.578 1.00 0.00 O 
    23273  
    23274 Ignored bad PDB record found on line 176124 
    23275 ATOM 5105c HWS SOL W9696 -36.718 -2.627 41.236 1.00 0.00 H 
    23276  
    23277 Ignored bad PDB record found on line 176125 
    23278 ATOM 5105e HWS SOL W9696 -37.890 -1.730 40.899 1.00 0.00 H 
    23279  
    23280 Duplicate atom serial number found: 51060 
    23281 Duplicate atom serial number found: 51062 
    23282 Duplicate atom serial number found: 51064 
    23283 Duplicate atom serial number found: 51066 
    23284 Duplicate atom serial number found: 51068 
    23285 Ignored bad PDB record found on line 176131 
    23286 ATOM 5106a HWS SOL W9698 -58.019 -10.772 66.320 1.00 0.00 H 
    23287  
    23288 Ignored bad PDB record found on line 176132 
    23289 ATOM 5106c OWS SOL W9699 -42.708 -18.559 67.990 1.00 0.00 O 
    23290  
    23291 Ignored bad PDB record found on line 176133 
    23292 ATOM 5106e HWS SOL W9699 -42.368 -19.173 68.641 1.00 0.00 H 
    23293  
    23294 Duplicate atom serial number found: 51070 
    23295 Ignored bad PDB record found on line 176135 
    23296 ATOM 51072 OWS SOL W969a -62.066 -5.782 42.350 1.00 0.00 O 
    23297  
    23298 Ignored bad PDB record found on line 176136 
    23299 ATOM 51074 HWS SOL W969a -62.963 -5.491 42.187 1.00 0.00 H 
    23300  
    23301 Ignored bad PDB record found on line 176137 
    23302 ATOM 51076 HWS SOL W969a -62.074 -6.089 43.256 1.00 0.00 H 
    23303  
    23304 Ignored bad PDB record found on line 176138 
    23305 ATOM 51078 OWS SOL W969b -73.818 31.492 26.584 1.00 0.00 O 
    23306  
    23307 Ignored bad PDB record found on line 176139 
    23308 ATOM 5107a HWS SOL W969b -74.040 30.678 27.037 1.00 0.00 H 
    23309  
    23310 322 messages similar to the above omitted 
    23311 Duplicate atom serial number found: 51300 
    23312 Duplicate atom serial number found: 51302 
    23313 Duplicate atom serial number found: 51304 
    23314 Duplicate atom serial number found: 51306 
    23315 Duplicate atom serial number found: 51308 
    23316 Ignored bad PDB record found on line 176467 
    23317 ATOM 5130a HWS SOL W9708 -52.047 23.513 36.006 1.00 0.00 H 
    23318  
    23319 Ignored bad PDB record found on line 176468 
    23320 ATOM 5130c OWS SOL W9709 -43.916 13.317 55.855 1.00 0.00 O 
    23321  
    23322 Ignored bad PDB record found on line 176469 
    23323 ATOM 5130e HWS SOL W9709 -43.110 13.334 55.338 1.00 0.00 H 
    23324  
    23325 Duplicate atom serial number found: 51310 
    23326 Ignored bad PDB record found on line 176471 
    23327 ATOM 51312 OWS SOL W970a -43.421 3.446 56.266 1.00 0.00 O 
    23328  
    23329 Ignored bad PDB record found on line 176472 
    23330 ATOM 51314 HWS SOL W970a -43.393 3.207 57.192 1.00 0.00 H 
    23331  
    23332 Ignored bad PDB record found on line 176473 
    23333 ATOM 51316 HWS SOL W970a -44.136 2.923 55.904 1.00 0.00 H 
    23334  
    23335 Ignored bad PDB record found on line 176474 
    23336 ATOM 51318 OWS SOL W970b -56.258 5.601 47.753 1.00 0.00 O 
    23337  
    23338 Ignored bad PDB record found on line 176475 
    23339 ATOM 5131a HWS SOL W970b -55.338 5.471 47.521 1.00 0.00 H 
    23340  
    23341 13 messages similar to the above omitted 
    23342 Duplicate atom serial number found: 51336 
    23343 Duplicate atom serial number found: 51338 
    23344 Ignored bad PDB record found on line 176491 
    23345 ATOM 5133a HWS SOL W9710 -43.556 -16.638 53.024 1.00 0.00 H 
    23346  
    23347 Ignored bad PDB record found on line 176492 
    23348 ATOM 5133c OWS SOL W9711 -72.524 -30.353 70.972 1.00 0.00 O 
    23349  
    23350 Ignored bad PDB record found on line 176493 
    23351 ATOM 5133e HWS SOL W9711 -72.969 -30.665 70.184 1.00 0.00 H 
    23352  
    23353 Duplicate atom serial number found: 51340 
    23354 Duplicate atom serial number found: 51342 
    23355 Duplicate atom serial number found: 51344 
    23356 Duplicate atom serial number found: 51346 
    23357 Duplicate atom serial number found: 51348 
    23358 Ignored bad PDB record found on line 176499 
    23359 ATOM 5134a HWS SOL W9713 -60.239 12.667 42.731 1.00 0.00 H 
    23360  
    23361 Ignored bad PDB record found on line 176500 
    23362 ATOM 5134c HWS SOL W9713 -60.727 12.863 44.150 1.00 0.00 H 
    23363  
    23364 Ignored bad PDB record found on line 176501 
    23365 ATOM 5134e OWS SOL W9714 -36.598 -11.412 51.933 1.00 0.00 O 
    23366  
    23367 Duplicate atom serial number found: 51350 
    23368 Duplicate atom serial number found: 51352 
    23369 Duplicate atom serial number found: 51354 
    23370 Duplicate atom serial number found: 51356 
    23371 Duplicate atom serial number found: 51358 
    23372 Ignored bad PDB record found on line 176507 
    23373 ATOM 5135a OWS SOL W9716 -60.781 -25.129 44.269 1.00 0.00 O 
    23374  
    23375 Ignored bad PDB record found on line 176508 
    23376 ATOM 5135c HWS SOL W9716 -60.121 -24.437 44.304 1.00 0.00 H 
    23377  
    23378 Ignored bad PDB record found on line 176509 
    23379 ATOM 5135e HWS SOL W9716 -60.508 -25.684 43.538 1.00 0.00 H 
    23380  
    23381 Duplicate atom serial number found: 51360 
    23382 Duplicate atom serial number found: 51362 
    23383 Duplicate atom serial number found: 51364 
    23384 Duplicate atom serial number found: 51366 
    23385 Duplicate atom serial number found: 51368 
    23386 Ignored bad PDB record found on line 176515 
    23387 ATOM 5136a HWS SOL W9718 -50.076 -15.197 69.047 1.00 0.00 H 
    23388  
    23389 Ignored bad PDB record found on line 176516 
    23390 ATOM 5136c OWS SOL W9719 -28.312 -22.177 68.120 1.00 0.00 O 
    23391  
    23392 Ignored bad PDB record found on line 176517 
    23393 ATOM 5136e HWS SOL W9719 -27.456 -21.754 68.055 1.00 0.00 H 
    23394  
    23395 Duplicate atom serial number found: 51370 
    23396 Ignored bad PDB record found on line 176519 
    23397 ATOM 51372 OWS SOL W971a -82.803 1.630 46.886 1.00 0.00 O 
    23398  
    23399 Ignored bad PDB record found on line 176520 
    23400 ATOM 51374 HWS SOL W971a -82.075 2.252 46.912 1.00 0.00 H 
    23401  
    23402 Ignored bad PDB record found on line 176521 
    23403 ATOM 51376 HWS SOL W971a -83.234 1.732 47.735 1.00 0.00 H 
    23404  
    23405 Ignored bad PDB record found on line 176522 
    23406 ATOM 51378 OWS SOL W971b -46.335 -2.370 46.968 1.00 0.00 O 
    23407  
    23408 Ignored bad PDB record found on line 176523 
    23409 ATOM 5137a HWS SOL W971b -47.251 -2.480 46.712 1.00 0.00 H 
    23410  
    23411 13 messages similar to the above omitted 
    23412 Duplicate atom serial number found: 51396 
    23413 Duplicate atom serial number found: 51398 
    23414 Ignored bad PDB record found on line 176539 
    23415 ATOM 5139a HWS SOL W9720 -62.211 -21.313 43.806 1.00 0.00 H 
    23416  
    23417 Ignored bad PDB record found on line 176540 
    23418 ATOM 5139c OWS SOL W9721 -39.619 16.855 54.362 1.00 0.00 O 
    23419  
    23420 Ignored bad PDB record found on line 176541 
    23421 ATOM 5139e HWS SOL W9721 -38.958 16.914 53.672 1.00 0.00 H 
    23422  
    23423 Ignored bad PDB record found on line 176542 
    23424 ATOM 513a0 HWS SOL W9721 -39.387 17.551 54.977 1.00 0.00 H 
    23425  
    23426 Ignored bad PDB record found on line 176543 
    23427 ATOM 513a2 OWS SOL W9722 -26.697 -10.430 53.957 1.00 0.00 O 
    23428  
    23429 46 messages similar to the above omitted 
    23430 Duplicate atom serial number found: 51400 
    23431 Duplicate atom serial number found: 51402 
    23432 Duplicate atom serial number found: 51404 
    23433 Duplicate atom serial number found: 51406 
    23434 Duplicate atom serial number found: 51408 
    23435 Ignored bad PDB record found on line 176595 
    23436 ATOM 5140a HWS SOL W9733 -63.952 -15.410 59.048 1.00 0.00 H 
    23437  
    23438 Ignored bad PDB record found on line 176596 
    23439 ATOM 5140c HWS SOL W9733 -65.336 -14.908 58.697 1.00 0.00 H 
    23440  
    23441 Ignored bad PDB record found on line 176597 
    23442 ATOM 5140e OWS SOL W9734 -63.271 -7.376 68.604 1.00 0.00 O 
    23443  
    23444 Duplicate atom serial number found: 51410 
    23445 Duplicate atom serial number found: 51412 
    23446 Duplicate atom serial number found: 51414 
    23447 Duplicate atom serial number found: 51416 
    23448 Duplicate atom serial number found: 51418 
    23449 Ignored bad PDB record found on line 176603 
    23450 ATOM 5141a OWS SOL W9736 -71.709 -7.270 44.860 1.00 0.00 O 
    23451  
    23452 Ignored bad PDB record found on line 176604 
    23453 ATOM 5141c HWS SOL W9736 -72.617 -7.099 44.608 1.00 0.00 H 
    23454  
    23455 Ignored bad PDB record found on line 176605 
    23456 ATOM 5141e HWS SOL W9736 -71.228 -7.277 44.033 1.00 0.00 H 
    23457  
    23458 Duplicate atom serial number found: 51420 
    23459 Duplicate atom serial number found: 51422 
    23460 Duplicate atom serial number found: 51424 
    23461 Duplicate atom serial number found: 51426 
    23462 Duplicate atom serial number found: 51428 
    23463 Ignored bad PDB record found on line 176611 
    23464 ATOM 5142a HWS SOL W9738 -34.011 23.048 85.019 1.00 0.00 H 
    23465  
    23466 Ignored bad PDB record found on line 176612 
    23467 ATOM 5142c OWS SOL W9739 -51.283 5.791 78.284 1.00 0.00 O 
    23468  
    23469 Ignored bad PDB record found on line 176613 
    23470 ATOM 5142e HWS SOL W9739 -52.189 5.648 78.557 1.00 0.00 H 
    23471  
    23472 Duplicate atom serial number found: 51430 
    23473 Ignored bad PDB record found on line 176615 
    23474 ATOM 51432 OWS SOL W973a -40.623 -1.669 61.135 1.00 0.00 O 
    23475  
    23476 Ignored bad PDB record found on line 176616 
    23477 ATOM 51434 HWS SOL W973a -40.779 -0.738 61.294 1.00 0.00 H 
    23478  
    23479 Ignored bad PDB record found on line 176617 
    23480 ATOM 51436 HWS SOL W973a -40.004 -1.929 61.817 1.00 0.00 H 
    23481  
    23482 Ignored bad PDB record found on line 176618 
    23483 ATOM 51438 OWS SOL W973b 88.080 -28.587 53.148 1.00 0.00 O 
    23484  
    23485 Ignored bad PDB record found on line 176619 
    23486 ATOM 5143a HWS SOL W973b 88.019 -29.494 53.445 1.00 0.00 H 
    23487  
    23488 13 messages similar to the above omitted 
    23489 Duplicate atom serial number found: 51456 
    23490 Duplicate atom serial number found: 51458 
    23491 Ignored bad PDB record found on line 176635 
    23492 ATOM 5145a HWS SOL W9740 -62.509 -23.597 54.781 1.00 0.00 H 
    23493  
    23494 Ignored bad PDB record found on line 176636 
    23495 ATOM 5145c OWS SOL W9741 -38.590 -18.112 62.879 1.00 0.00 O 
    23496  
    23497 Ignored bad PDB record found on line 176637 
    23498 ATOM 5145e HWS SOL W9741 -38.476 -17.168 62.990 1.00 0.00 H 
    23499  
    23500 Duplicate atom serial number found: 51460 
    23501 Duplicate atom serial number found: 51462 
    23502 Duplicate atom serial number found: 51464 
    23503 Duplicate atom serial number found: 51466 
    23504 Duplicate atom serial number found: 51468 
    23505 Ignored bad PDB record found on line 176643 
    23506 ATOM 5146a HWS SOL W9743 -40.161 10.552 53.205 1.00 0.00 H 
    23507  
    23508 Ignored bad PDB record found on line 176644 
    23509 ATOM 5146c HWS SOL W9743 -40.287 11.891 52.509 1.00 0.00 H 
    23510  
    23511 Ignored bad PDB record found on line 176645 
    23512 ATOM 5146e OWS SOL W9744 -71.984 11.491 61.831 1.00 0.00 O 
    23513  
    23514 Duplicate atom serial number found: 51470 
    23515 Duplicate atom serial number found: 51472 
    23516 Duplicate atom serial number found: 51474 
    23517 Duplicate atom serial number found: 51476 
    23518 Duplicate atom serial number found: 51478 
    23519 Ignored bad PDB record found on line 176651 
    23520 ATOM 5147a OWS SOL W9746 -42.995 -7.586 43.161 1.00 0.00 O 
    23521  
    23522 Ignored bad PDB record found on line 176652 
    23523 ATOM 5147c HWS SOL W9746 -42.320 -7.235 43.742 1.00 0.00 H 
    23524  
    23525 Ignored bad PDB record found on line 176653 
    23526 ATOM 5147e HWS SOL W9746 -43.029 -8.519 43.368 1.00 0.00 H 
    23527  
    23528 Duplicate atom serial number found: 51480 
    23529 Duplicate atom serial number found: 51482 
    23530 Duplicate atom serial number found: 51484 
    23531 Duplicate atom serial number found: 51486 
    23532 Duplicate atom serial number found: 51488 
    23533 Ignored bad PDB record found on line 176659 
    23534 ATOM 5148a HWS SOL W9748 -59.579 -23.529 -89.036 1.00 0.00 H 
    23535  
    23536 Ignored bad PDB record found on line 176660 
    23537 ATOM 5148c OWS SOL W9749 -70.068 -4.491 67.029 1.00 0.00 O 
    23538  
    23539 Ignored bad PDB record found on line 176661 
    23540 ATOM 5148e HWS SOL W9749 -70.676 -4.857 67.671 1.00 0.00 H 
    23541  
    23542 Duplicate atom serial number found: 51490 
    23543 Ignored bad PDB record found on line 176663 
    23544 ATOM 51492 OWS SOL W974a -67.248 9.015 63.026 1.00 0.00 O 
    23545  
    23546 Ignored bad PDB record found on line 176664 
    23547 ATOM 51494 HWS SOL W974a -67.170 9.183 63.965 1.00 0.00 H 
    23548  
    23549 Ignored bad PDB record found on line 176665 
    23550 ATOM 51496 HWS SOL W974a -66.395 9.259 62.667 1.00 0.00 H 
    23551  
    23552 Ignored bad PDB record found on line 176666 
    23553 ATOM 51498 OWS SOL W974b -46.119 9.379 54.418 1.00 0.00 O 
    23554  
    23555 Ignored bad PDB record found on line 176667 
    23556 ATOM 5149a HWS SOL W974b -45.644 9.196 55.229 1.00 0.00 H 
    23557  
    23558 61 messages similar to the above omitted 
    23559 Duplicate atom serial number found: 51516 
    23560 Duplicate atom serial number found: 51518 
    23561 Ignored bad PDB record found on line 176731 
    23562 ATOM 5151a HWS SOL W9760 -75.091 -9.001 59.922 1.00 0.00 H 
    23563  
    23564 Ignored bad PDB record found on line 176732 
    23565 ATOM 5151c OWS SOL W9761 -62.949 15.680 67.823 1.00 0.00 O 
    23566  
    23567 Ignored bad PDB record found on line 176733 
    23568 ATOM 5151e HWS SOL W9761 -62.002 15.601 67.935 1.00 0.00 H 
    23569  
    23570 Duplicate atom serial number found: 51520 
    23571 Duplicate atom serial number found: 51522 
    23572 Duplicate atom serial number found: 51524 
    23573 Duplicate atom serial number found: 51526 
    23574 Duplicate atom serial number found: 51528 
    23575 Ignored bad PDB record found on line 176739 
    23576 ATOM 5152a HWS SOL W9763 -59.375 -22.928 65.236 1.00 0.00 H 
    23577  
    23578 Ignored bad PDB record found on line 176740 
    23579 ATOM 5152c HWS SOL W9763 -57.889 -23.207 65.168 1.00 0.00 H 
    23580  
    23581 Ignored bad PDB record found on line 176741 
    23582 ATOM 5152e OWS SOL W9764 -60.537 -7.352 75.709 1.00 0.00 O 
    23583  
    23584 Duplicate atom serial number found: 51530 
    23585 Duplicate atom serial number found: 51532 
    23586 Duplicate atom serial number found: 51534 
    23587 Duplicate atom serial number found: 51536 
    23588 Duplicate atom serial number found: 51538 
    23589 Ignored bad PDB record found on line 176747 
    23590 ATOM 5153a OWS SOL W9766 -68.249 22.357 61.377 1.00 0.00 O 
    23591  
    23592 Ignored bad PDB record found on line 176748 
    23593 ATOM 5153c HWS SOL W9766 -69.155 22.059 61.454 1.00 0.00 H 
    23594  
    23595 Ignored bad PDB record found on line 176749 
    23596 ATOM 5153e HWS SOL W9766 -68.294 23.116 60.796 1.00 0.00 H 
    23597  
    23598 Duplicate atom serial number found: 51540 
    23599 Duplicate atom serial number found: 51542 
    23600 Duplicate atom serial number found: 51544 
    23601 Duplicate atom serial number found: 51546 
    23602 Duplicate atom serial number found: 51548 
    23603 Ignored bad PDB record found on line 176755 
    23604 ATOM 5154a HWS SOL W9768 -42.741 9.595 19.569 1.00 0.00 H 
    23605  
    23606 Ignored bad PDB record found on line 176756 
    23607 ATOM 5154c OWS SOL W9769 -76.077 -6.629 67.885 1.00 0.00 O 
    23608  
    23609 Ignored bad PDB record found on line 176757 
    23610 ATOM 5154e HWS SOL W9769 -75.832 -7.255 67.205 1.00 0.00 H 
    23611  
    23612 Duplicate atom serial number found: 51550 
    23613 Ignored bad PDB record found on line 176759 
    23614 ATOM 51552 OWS SOL W976a -58.449 13.094 61.290 1.00 0.00 O 
    23615  
    23616 Ignored bad PDB record found on line 176760 
    23617 ATOM 51554 HWS SOL W976a -58.881 13.945 61.210 1.00 0.00 H 
    23618  
    23619 Ignored bad PDB record found on line 176761 
    23620 ATOM 51556 HWS SOL W976a -59.161 12.457 61.223 1.00 0.00 H 
    23621  
    23622 Ignored bad PDB record found on line 176762 
    23623 ATOM 51558 OWS SOL W976b -45.231 -9.253 65.966 1.00 0.00 O 
    23624  
    23625 Ignored bad PDB record found on line 176763 
    23626 ATOM 5155a HWS SOL W976b -45.288 -8.350 65.654 1.00 0.00 H 
    23627  
    23628 13 messages similar to the above omitted 
    23629 Duplicate atom serial number found: 51576 
    23630 Duplicate atom serial number found: 51578 
    23631 Ignored bad PDB record found on line 176779 
    23632 ATOM 5157a HWS SOL W9770 -66.251 4.504 49.512 1.00 0.00 H 
    23633  
    23634 Ignored bad PDB record found on line 176780 
    23635 ATOM 5157c OWS SOL W9771 -40.099 27.800 71.724 1.00 0.00 O 
    23636  
    23637 Ignored bad PDB record found on line 176781 
    23638 ATOM 5157e HWS SOL W9771 -39.506 27.056 71.620 1.00 0.00 H 
    23639  
    23640 Duplicate atom serial number found: 51580 
    23641 Duplicate atom serial number found: 51582 
    23642 Duplicate atom serial number found: 51584 
    23643 Duplicate atom serial number found: 51586 
    23644 Duplicate atom serial number found: 51588 
    23645 Ignored bad PDB record found on line 176787 
    23646 ATOM 5158a HWS SOL W9773 -39.136 -18.624 54.916 1.00 0.00 H 
    23647  
    23648 Ignored bad PDB record found on line 176788 
    23649 ATOM 5158c HWS SOL W9773 -37.638 -18.815 54.820 1.00 0.00 H 
    23650  
    23651 Ignored bad PDB record found on line 176789 
    23652 ATOM 5158e OWS SOL W9774 -50.565 -2.175 61.898 1.00 0.00 O 
    23653  
    23654 Duplicate atom serial number found: 51590 
    23655 Duplicate atom serial number found: 51592 
    23656 Duplicate atom serial number found: 51594 
    23657 Duplicate atom serial number found: 51596 
    23658 Duplicate atom serial number found: 51598 
    23659 Ignored bad PDB record found on line 176795 
    23660 ATOM 5159a OWS SOL W9776 -42.422 18.355 55.400 1.00 0.00 O 
    23661  
    23662 Ignored bad PDB record found on line 176796 
    23663 ATOM 5159c HWS SOL W9776 -42.386 18.982 54.678 1.00 0.00 H 
    23664  
    23665 Ignored bad PDB record found on line 176797 
    23666 ATOM 5159e HWS SOL W9776 -42.509 17.502 54.974 1.00 0.00 H 
    23667  
    23668 Ignored bad PDB record found on line 176798 
    23669 ATOM 515a0 OWS SOL W9777 -66.730 -7.279 78.566 1.00 0.00 O 
    23670  
    23671 Ignored bad PDB record found on line 176799 
    23672 ATOM 515a2 HWS SOL W9777 -67.655 -7.040 78.503 1.00 0.00 H 
    23673  
    23674 46 messages similar to the above omitted 
    23675 Duplicate atom serial number found: 51600 
    23676 Duplicate atom serial number found: 51602 
    23677 Duplicate atom serial number found: 51604 
    23678 Duplicate atom serial number found: 51606 
    23679 Duplicate atom serial number found: 51608 
    23680 Ignored bad PDB record found on line 176851 
    23681 ATOM 5160a HWS SOL W9788 -47.725 -1.490 44.358 1.00 0.00 H 
    23682  
    23683 Ignored bad PDB record found on line 176852 
    23684 ATOM 5160c OWS SOL W9789 -73.929 -5.484 48.590 1.00 0.00 O 
    23685  
    23686 Ignored bad PDB record found on line 176853 
    23687 ATOM 5160e HWS SOL W9789 -74.545 -5.062 47.990 1.00 0.00 H 
    23688  
    23689 Duplicate atom serial number found: 51610 
    23690 Ignored bad PDB record found on line 176855 
    23691 ATOM 51612 OWS SOL W978a -51.963 14.934 42.369 1.00 0.00 O 
    23692  
    23693 Ignored bad PDB record found on line 176856 
    23694 ATOM 51614 HWS SOL W978a -51.963 15.881 42.226 1.00 0.00 H 
    23695  
    23696 Ignored bad PDB record found on line 176857 
    23697 ATOM 51616 HWS SOL W978a -52.432 14.578 41.614 1.00 0.00 H 
    23698  
    23699 Ignored bad PDB record found on line 176858 
    23700 ATOM 51618 OWS SOL W978b -61.804 -4.155 54.281 1.00 0.00 O 
    23701  
    23702 Ignored bad PDB record found on line 176859 
    23703 ATOM 5161a HWS SOL W978b -61.342 -3.430 53.860 1.00 0.00 H 
    23704  
    23705 13 messages similar to the above omitted 
    23706 Duplicate atom serial number found: 51636 
    23707 Duplicate atom serial number found: 51638 
    23708 Ignored bad PDB record found on line 176875 
    23709 ATOM 5163a HWS SOL W9790 -41.047 12.753 54.404 1.00 0.00 H 
    23710  
    23711 Ignored bad PDB record found on line 176876 
    23712 ATOM 5163c OWS SOL W9791 -54.507 -4.851 41.564 1.00 0.00 O 
    23713  
    23714 Ignored bad PDB record found on line 176877 
    23715 ATOM 5163e HWS SOL W9791 -54.744 -4.553 40.686 1.00 0.00 H 
    23716  
    23717 Duplicate atom serial number found: 51640 
    23718 Duplicate atom serial number found: 51642 
    23719 Duplicate atom serial number found: 51644 
    23720 Duplicate atom serial number found: 51646 
    23721 Duplicate atom serial number found: 51648 
    23722 Ignored bad PDB record found on line 176883 
    23723 ATOM 5164a HWS SOL W9793 -76.132 -12.262 63.489 1.00 0.00 H 
    23724  
    23725 Ignored bad PDB record found on line 176884 
    23726 ATOM 5164c HWS SOL W9793 -74.681 -12.664 63.648 1.00 0.00 H 
    23727  
    23728 Ignored bad PDB record found on line 176885 
    23729 ATOM 5164e OWS SOL W9794 -53.217 12.152 52.141 1.00 0.00 O 
    23730  
    23731 Duplicate atom serial number found: 51650 
    23732 Duplicate atom serial number found: 51652 
    23733 Duplicate atom serial number found: 51654 
    23734 Duplicate atom serial number found: 51656 
    23735 Duplicate atom serial number found: 51658 
    23736 Ignored bad PDB record found on line 176891 
    23737 ATOM 5165a OWS SOL W9796 -55.826 -4.724 34.102 1.00 0.00 O 
    23738  
    23739 Ignored bad PDB record found on line 176892 
    23740 ATOM 5165c HWS SOL W9796 -54.871 -4.781 34.082 1.00 0.00 H 
    23741  
    23742 Ignored bad PDB record found on line 176893 
    23743 ATOM 5165e HWS SOL W9796 -56.109 -5.555 34.484 1.00 0.00 H 
    23744  
    23745 Duplicate atom serial number found: 51660 
    23746 Duplicate atom serial number found: 51662 
    23747 Duplicate atom serial number found: 51664 
    23748 Duplicate atom serial number found: 51666 
    23749 Duplicate atom serial number found: 51668 
    23750 Ignored bad PDB record found on line 176899 
    23751 ATOM 5166a HWS SOL W9798 -37.537 8.072 62.903 1.00 0.00 H 
    23752  
    23753 Ignored bad PDB record found on line 176900 
    23754 ATOM 5166c OWS SOL W9799 -61.126 -29.219 43.372 1.00 0.00 O 
    23755  
    23756 Ignored bad PDB record found on line 176901 
    23757 ATOM 5166e HWS SOL W9799 -60.884 -30.054 43.771 1.00 0.00 H 
    23758  
    23759 Duplicate atom serial number found: 51670 
    23760 Ignored bad PDB record found on line 176903 
    23761 ATOM 51672 OWS SOL W979a -54.277 5.352 19.484 1.00 0.00 O 
    23762  
    23763 Ignored bad PDB record found on line 176904 
    23764 ATOM 51674 HWS SOL W979a -54.263 5.070 18.569 1.00 0.00 H 
    23765  
    23766 Ignored bad PDB record found on line 176905 
    23767 ATOM 51676 HWS SOL W979a -55.194 5.565 19.656 1.00 0.00 H 
    23768  
    23769 Ignored bad PDB record found on line 176906 
    23770 ATOM 51678 OWS SOL W979b -60.664 27.975 30.421 1.00 0.00 O 
    23771  
    23772 Ignored bad PDB record found on line 176907 
    23773 ATOM 5167a HWS SOL W979b -60.659 27.158 30.921 1.00 0.00 H 
    23774  
    23775 322 messages similar to the above omitted 
    23776 Duplicate atom serial number found: 51900 
    23777 Duplicate atom serial number found: 51902 
    23778 Duplicate atom serial number found: 51904 
    23779 Duplicate atom serial number found: 51906 
    23780 Duplicate atom serial number found: 51908 
    23781 Ignored bad PDB record found on line 177235 
    23782 ATOM 5190a HWS SOL W9809 -75.862 -15.130 -88.817 1.00 0.00 H 
    23783  
    23784 Ignored bad PDB record found on line 177236 
    23785 ATOM 5190c OWS SOL W980a -73.176 9.149 62.957 1.00 0.00 O 
    23786  
    23787 Ignored bad PDB record found on line 177237 
    23788 ATOM 5190e HWS SOL W980a -73.488 8.563 62.267 1.00 0.00 H 
    23789  
    23790 Ignored bad PDB record found on line 177238 
    23791 ATOM 51910 HWS SOL W980a -72.748 9.865 62.489 1.00 0.00 H 
    23792  
    23793 Ignored bad PDB record found on line 177239 
    23794 ATOM 51912 OWS SOL W980b -56.549 3.924 87.705 1.00 0.00 O 
    23795  
    23796 14 messages similar to the above omitted 
    23797 Duplicate atom serial number found: 51930 
    23798 Duplicate atom serial number found: 51932 
    23799 Duplicate atom serial number found: 51934 
    23800 Duplicate atom serial number found: 51936 
    23801 Duplicate atom serial number found: 51938 
    23802 Ignored bad PDB record found on line 177259 
    23803 ATOM 5193a HWS SOL W9811 -77.434 -13.213 61.731 1.00 0.00 H 
    23804  
    23805 Ignored bad PDB record found on line 177260 
    23806 ATOM 5193c OWS SOL W9812 -60.121 13.141 -86.577 1.00 0.00 O 
    23807  
    23808 Ignored bad PDB record found on line 177261 
    23809 ATOM 5193e HWS SOL W9812 -59.447 12.465 -86.645 1.00 0.00 H 
    23810  
    23811 Duplicate atom serial number found: 51940 
    23812 Duplicate atom serial number found: 51942 
    23813 Duplicate atom serial number found: 51944 
    23814 Duplicate atom serial number found: 51946 
    23815 Duplicate atom serial number found: 51948 
    23816 Ignored bad PDB record found on line 177267 
    23817 ATOM 5194a HWS SOL W9814 -53.851 -3.718 51.819 1.00 0.00 H 
    23818  
    23819 Ignored bad PDB record found on line 177268 
    23820 ATOM 5194c HWS SOL W9814 -52.955 -3.682 50.599 1.00 0.00 H 
    23821  
    23822 Ignored bad PDB record found on line 177269 
    23823 ATOM 5194e OWS SOL W9815 -71.761 5.304 87.701 1.00 0.00 O 
    23824  
    23825 Duplicate atom serial number found: 51950 
    23826 Duplicate atom serial number found: 51952 
    23827 Duplicate atom serial number found: 51954 
    23828 Duplicate atom serial number found: 51956 
    23829 Duplicate atom serial number found: 51958 
    23830 Ignored bad PDB record found on line 177275 
    23831 ATOM 5195a OWS SOL W9817 -72.304 -4.436 65.398 1.00 0.00 O 
    23832  
    23833 Ignored bad PDB record found on line 177276 
    23834 ATOM 5195c HWS SOL W9817 -71.801 -4.714 66.164 1.00 0.00 H 
    23835  
    23836 Ignored bad PDB record found on line 177277 
    23837 ATOM 5195e HWS SOL W9817 -71.759 -3.768 64.983 1.00 0.00 H 
    23838  
    23839 Duplicate atom serial number found: 51960 
    23840 Duplicate atom serial number found: 51962 
    23841 Duplicate atom serial number found: 51964 
    23842 Duplicate atom serial number found: 51966 
    23843 Duplicate atom serial number found: 51968 
    23844 Ignored bad PDB record found on line 177283 
    23845 ATOM 5196a HWS SOL W9819 -44.900 9.760 -65.577 1.00 0.00 H 
    23846  
    23847 Ignored bad PDB record found on line 177284 
    23848 ATOM 5196c OWS SOL W981a -69.887 13.721 -77.920 1.00 0.00 O 
    23849  
    23850 Ignored bad PDB record found on line 177285 
    23851 ATOM 5196e HWS SOL W981a -69.148 14.222 -78.265 1.00 0.00 H 
    23852  
    23853 Ignored bad PDB record found on line 177286 
    23854 ATOM 51970 HWS SOL W981a -70.510 13.682 -78.646 1.00 0.00 H 
    23855  
    23856 Ignored bad PDB record found on line 177287 
    23857 ATOM 51972 OWS SOL W981b -61.099 2.064 70.700 1.00 0.00 O 
    23858  
    23859 14 messages similar to the above omitted 
    23860 Duplicate atom serial number found: 51990 
    23861 Duplicate atom serial number found: 51992 
    23862 Duplicate atom serial number found: 51994 
    23863 Duplicate atom serial number found: 51996 
    23864 Duplicate atom serial number found: 51998 
    23865 Ignored bad PDB record found on line 177307 
    23866 ATOM 5199a HWS SOL W9821 -68.548 10.334 69.172 1.00 0.00 H 
    23867  
    23868 Ignored bad PDB record found on line 177308 
    23869 ATOM 5199c OWS SOL W9822 -59.329 -21.541 90.069 1.00 0.00 O 
    23870  
    23871 Ignored bad PDB record found on line 177309 
    23872 ATOM 5199e HWS SOL W9822 -59.311 -21.909 89.186 1.00 0.00 H 
    23873  
    23874 Ignored bad PDB record found on line 177310 
    23875 ATOM 519a0 HWS SOL W9822 -58.455 -21.171 90.194 1.00 0.00 H 
    23876  
    23877 Ignored bad PDB record found on line 177311 
    23878 ATOM 519a2 OWS SOL W9823 -62.195 21.597 66.886 1.00 0.00 O 
    23879  
    23880 814 messages similar to the above omitted 
    23881 Duplicate atom serial number found: 52000 
    23882 Duplicate atom serial number found: 52002 
    23883 Duplicate atom serial number found: 52004 
    23884 Duplicate atom serial number found: 52006 
    23885 Duplicate atom serial number found: 52008 
    23886 Ignored bad PDB record found on line 178131 
    23887 ATOM 5200a HWS SOL W9934 -46.958 -3.410 -82.550 1.00 0.00 H 
    23888  
    23889 Ignored bad PDB record found on line 178132 
    23890 ATOM 5200c HWS SOL W9934 -45.709 -4.242 -82.747 1.00 0.00 H 
    23891  
    23892 Ignored bad PDB record found on line 178133 
    23893 ATOM 5200e OWS SOL W9935 -66.819 -1.787 -89.852 1.00 0.00 O 
    23894  
    23895 Duplicate atom serial number found: 52010 
    23896 Duplicate atom serial number found: 52012 
    23897 Duplicate atom serial number found: 52014 
    23898 Duplicate atom serial number found: 52016 
    23899 Duplicate atom serial number found: 52018 
    23900 Ignored bad PDB record found on line 178139 
    23901 ATOM 5201a OWS SOL W9937 -41.840 10.834 64.639 1.00 0.00 O 
    23902  
    23903 Ignored bad PDB record found on line 178140 
    23904 ATOM 5201c HWS SOL W9937 -41.628 11.361 63.868 1.00 0.00 H 
    23905  
    23906 Ignored bad PDB record found on line 178141 
    23907 ATOM 5201e HWS SOL W9937 -42.032 11.475 65.323 1.00 0.00 H 
    23908  
    23909 Duplicate atom serial number found: 52020 
    23910 Duplicate atom serial number found: 52022 
    23911 Duplicate atom serial number found: 52024 
    23912 Duplicate atom serial number found: 52026 
    23913 Duplicate atom serial number found: 52028 
    23914 Ignored bad PDB record found on line 178147 
    23915 ATOM 5202a HWS SOL W9939 -52.679 -23.747 82.684 1.00 0.00 H 
    23916  
    23917 Ignored bad PDB record found on line 178148 
    23918 ATOM 5202c OWS SOL W993a -57.681 3.312 75.124 1.00 0.00 O 
    23919  
    23920 Ignored bad PDB record found on line 178149 
    23921 ATOM 5202e HWS SOL W993a -57.512 3.435 74.189 1.00 0.00 H 
    23922  
    23923 Ignored bad PDB record found on line 178150 
    23924 ATOM 52030 HWS SOL W993a -57.444 2.400 75.292 1.00 0.00 H 
    23925  
    23926 Ignored bad PDB record found on line 178151 
    23927 ATOM 52032 OWS SOL W993b -28.645 3.108 -77.965 1.00 0.00 O 
    23928  
    23929 14 messages similar to the above omitted 
    23930 Duplicate atom serial number found: 52050 
    23931 Duplicate atom serial number found: 52052 
    23932 Duplicate atom serial number found: 52054 
    23933 Duplicate atom serial number found: 52056 
    23934 Duplicate atom serial number found: 52058 
    23935 Ignored bad PDB record found on line 178171 
    23936 ATOM 5205a HWS SOL W9941 -55.832 -22.318 54.515 1.00 0.00 H 
    23937  
    23938 Ignored bad PDB record found on line 178172 
    23939 ATOM 5205c OWS SOL W9942 -36.592 11.813 84.315 1.00 0.00 O 
    23940  
    23941 Ignored bad PDB record found on line 178173 
    23942 ATOM 5205e HWS SOL W9942 -37.254 11.162 84.080 1.00 0.00 H 
    23943  
    23944 Duplicate atom serial number found: 52060 
    23945 Duplicate atom serial number found: 52062 
    23946 Duplicate atom serial number found: 52064 
    23947 Duplicate atom serial number found: 52066 
    23948 Duplicate atom serial number found: 52068 
    23949 Ignored bad PDB record found on line 178179 
    23950 ATOM 5206a HWS SOL W9944 -57.379 15.329 78.021 1.00 0.00 H 
    23951  
    23952 Ignored bad PDB record found on line 178180 
    23953 ATOM 5206c HWS SOL W9944 -57.047 14.833 79.412 1.00 0.00 H 
    23954  
    23955 Ignored bad PDB record found on line 178181 
    23956 ATOM 5206e OWS SOL W9945 -62.913 23.741 87.333 1.00 0.00 O 
    23957  
    23958 Duplicate atom serial number found: 52070 
    23959 Duplicate atom serial number found: 52072 
    23960 Duplicate atom serial number found: 52074 
    23961 Duplicate atom serial number found: 52076 
    23962 Duplicate atom serial number found: 52078 
    23963 Ignored bad PDB record found on line 178187 
    23964 ATOM 5207a OWS SOL W9947 -54.585 1.645 -84.452 1.00 0.00 O 
    23965  
    23966 Ignored bad PDB record found on line 178188 
    23967 ATOM 5207c HWS SOL W9947 -54.966 1.967 -83.635 1.00 0.00 H 
    23968  
    23969 Ignored bad PDB record found on line 178189 
    23970 ATOM 5207e HWS SOL W9947 -55.129 0.894 -84.691 1.00 0.00 H 
    23971  
    23972 Duplicate atom serial number found: 52080 
    23973 Duplicate atom serial number found: 52082 
    23974 Duplicate atom serial number found: 52084 
    23975 Duplicate atom serial number found: 52086 
    23976 Duplicate atom serial number found: 52088 
    23977 Ignored bad PDB record found on line 178195 
    23978 ATOM 5208a HWS SOL W9949 -46.770 0.325 -85.698 1.00 0.00 H 
    23979  
    23980 Ignored bad PDB record found on line 178196 
    23981 ATOM 5208c OWS SOL W994a -49.536 15.593 65.117 1.00 0.00 O 
    23982  
    23983 Ignored bad PDB record found on line 178197 
    23984 ATOM 5208e HWS SOL W994a -50.323 16.105 65.306 1.00 0.00 H 
    23985  
    23986 Ignored bad PDB record found on line 178198 
    23987 ATOM 52090 HWS SOL W994a -49.626 14.807 65.656 1.00 0.00 H 
    23988  
    23989 Ignored bad PDB record found on line 178199 
    23990 ATOM 52092 OWS SOL W994b -39.134 14.992 82.585 1.00 0.00 O 
    23991  
    23992 62 messages similar to the above omitted 
    23993 Duplicate atom serial number found: 52110 
    23994 Duplicate atom serial number found: 52112 
    23995 Duplicate atom serial number found: 52114 
    23996 Duplicate atom serial number found: 52116 
    23997 Duplicate atom serial number found: 52118 
    23998 Ignored bad PDB record found on line 178267 
    23999 ATOM 5211a HWS SOL W9961 -72.009 14.067 -81.984 1.00 0.00 H 
    24000  
    24001 Ignored bad PDB record found on line 178268 
    24002 ATOM 5211c OWS SOL W9962 -60.220 1.718 -81.624 1.00 0.00 O 
    24003  
    24004 Ignored bad PDB record found on line 178269 
    24005 ATOM 5211e HWS SOL W9962 -59.481 2.289 -81.413 1.00 0.00 H 
    24006  
    24007 Duplicate atom serial number found: 52120 
    24008 Duplicate atom serial number found: 52122 
    24009 Duplicate atom serial number found: 52124 
    24010 Duplicate atom serial number found: 52126 
    24011 Duplicate atom serial number found: 52128 
    24012 Ignored bad PDB record found on line 178275 
    24013 ATOM 5212a HWS SOL W9964 -55.500 3.105 86.372 1.00 0.00 H 
    24014  
    24015 Ignored bad PDB record found on line 178276 
    24016 ATOM 5212c HWS SOL W9964 -55.665 2.136 85.221 1.00 0.00 H 
    24017  
    24018 Ignored bad PDB record found on line 178277 
    24019 ATOM 5212e OWS SOL W9965 -36.514 0.808 -89.340 1.00 0.00 O 
    24020  
    24021 Duplicate atom serial number found: 52130 
    24022 Duplicate atom serial number found: 52132 
    24023 Duplicate atom serial number found: 52134 
    24024 Duplicate atom serial number found: 52136 
    24025 Duplicate atom serial number found: 52138 
    24026 Ignored bad PDB record found on line 178283 
    24027 ATOM 5213a OWS SOL W9967 -65.179 3.870 -82.151 1.00 0.00 O 
    24028  
    24029 Ignored bad PDB record found on line 178284 
    24030 ATOM 5213c HWS SOL W9967 -66.131 3.827 -82.240 1.00 0.00 H 
    24031  
    24032 Ignored bad PDB record found on line 178285 
    24033 ATOM 5213e HWS SOL W9967 -65.008 4.751 -81.818 1.00 0.00 H 
    24034  
    24035 Duplicate atom serial number found: 52140 
    24036 Duplicate atom serial number found: 52142 
    24037 Duplicate atom serial number found: 52144 
    24038 Duplicate atom serial number found: 52146 
    24039 Duplicate atom serial number found: 52148 
    24040 Ignored bad PDB record found on line 178291 
    24041 ATOM 5214a HWS SOL W9969 -65.639 -13.612 -85.445 1.00 0.00 H 
    24042  
    24043 Ignored bad PDB record found on line 178292 
    24044 ATOM 5214c OWS SOL W996a -83.186 -0.521 87.816 1.00 0.00 O 
    24045  
    24046 Ignored bad PDB record found on line 178293 
    24047 ATOM 5214e HWS SOL W996a -83.583 0.321 88.038 1.00 0.00 H 
    24048  
    24049 Ignored bad PDB record found on line 178294 
    24050 ATOM 52150 HWS SOL W996a -83.499 -0.707 86.930 1.00 0.00 H 
    24051  
    24052 Ignored bad PDB record found on line 178295 
    24053 ATOM 52152 OWS SOL W996b -52.123 3.748 82.122 1.00 0.00 O 
    24054  
    24055 14 messages similar to the above omitted 
    24056 Duplicate atom serial number found: 52170 
    24057 Duplicate atom serial number found: 52172 
    24058 Duplicate atom serial number found: 52174 
    24059 Duplicate atom serial number found: 52176 
    24060 Duplicate atom serial number found: 52178 
    24061 Ignored bad PDB record found on line 178315 
    24062 ATOM 5217a HWS SOL W9971 -52.904 12.572 70.309 1.00 0.00 H 
    24063  
    24064 Ignored bad PDB record found on line 178316 
    24065 ATOM 5217c OWS SOL W9972 -40.645 14.402 -89.382 1.00 0.00 O 
    24066  
    24067 Ignored bad PDB record found on line 178317 
    24068 ATOM 5217e HWS SOL W9972 -40.201 14.369 -90.230 1.00 0.00 H 
    24069  
    24070 Duplicate atom serial number found: 52180 
    24071 Duplicate atom serial number found: 52182 
    24072 Duplicate atom serial number found: 52184 
    24073 Duplicate atom serial number found: 52186 
    24074 Duplicate atom serial number found: 52188 
    24075 Ignored bad PDB record found on line 178323 
    24076 ATOM 5218a HWS SOL W9974 -62.740 3.899 -87.762 1.00 0.00 H 
    24077  
    24078 Ignored bad PDB record found on line 178324 
    24079 ATOM 5218c HWS SOL W9974 -64.013 3.800 -86.949 1.00 0.00 H 
    24080  
    24081 Ignored bad PDB record found on line 178325 
    24082 ATOM 5218e OWS SOL W9975 -71.288 -0.848 85.408 1.00 0.00 O 
    24083  
    24084 Duplicate atom serial number found: 52190 
    24085 Duplicate atom serial number found: 52192 
    24086 Duplicate atom serial number found: 52194 
    24087 Duplicate atom serial number found: 52196 
    24088 Duplicate atom serial number found: 52198 
    24089 Ignored bad PDB record found on line 178331 
    24090 ATOM 5219a OWS SOL W9977 -46.471 0.899 63.052 1.00 0.00 O 
    24091  
    24092 Ignored bad PDB record found on line 178332 
    24093 ATOM 5219c HWS SOL W9977 -46.675 1.138 63.956 1.00 0.00 H 
    24094  
    24095 Ignored bad PDB record found on line 178333 
    24096 ATOM 5219e HWS SOL W9977 -45.515 0.919 63.009 1.00 0.00 H 
    24097  
    24098 Ignored bad PDB record found on line 178334 
    24099 ATOM 521a0 OWS SOL W9978 -52.647 -1.452 68.049 1.00 0.00 O 
    24100  
    24101 Ignored bad PDB record found on line 178335 
    24102 ATOM 521a2 HWS SOL W9978 -53.388 -1.567 68.645 1.00 0.00 H 
    24103  
    24104 46 messages similar to the above omitted 
    24105 Duplicate atom serial number found: 52200 
    24106 Duplicate atom serial number found: 52202 
    24107 Duplicate atom serial number found: 52204 
    24108 Duplicate atom serial number found: 52206 
    24109 Duplicate atom serial number found: 52208 
    24110 Ignored bad PDB record found on line 178387 
    24111 ATOM 5220a HWS SOL W9989 84.527 -5.732 88.582 1.00 0.00 H 
    24112  
    24113 Ignored bad PDB record found on line 178388 
    24114 ATOM 5220c OWS SOL W998a -68.493 16.611 85.480 1.00 0.00 O 
    24115  
    24116 Ignored bad PDB record found on line 178389 
    24117 ATOM 5220e HWS SOL W998a -69.080 16.326 84.780 1.00 0.00 H 
    24118  
    24119 Ignored bad PDB record found on line 178390 
    24120 ATOM 52210 HWS SOL W998a -68.614 15.961 86.173 1.00 0.00 H 
    24121  
    24122 Ignored bad PDB record found on line 178391 
    24123 ATOM 52212 OWS SOL W998b -62.630 -2.341 81.680 1.00 0.00 O 
    24124  
    24125 14 messages similar to the above omitted 
    24126 Duplicate atom serial number found: 52230 
    24127 Duplicate atom serial number found: 52232 
    24128 Duplicate atom serial number found: 52234 
    24129 Duplicate atom serial number found: 52236 
    24130 Duplicate atom serial number found: 52238 
    24131 Ignored bad PDB record found on line 178411 
    24132 ATOM 5223a HWS SOL W9992 -58.762 -8.068 50.979 1.00 0.00 H 
    24133  
    24134 Ignored bad PDB record found on line 178412 
    24135 ATOM 5223c OWS SOL W9993 -44.407 -10.581 85.686 1.00 0.00 O 
    24136  
    24137 Ignored bad PDB record found on line 178413 
    24138 ATOM 5223e HWS SOL W9993 -43.605 -10.900 85.273 1.00 0.00 H 
    24139  
    24140 Duplicate atom serial number found: 52240 
    24141 Duplicate atom serial number found: 52242 
    24142 Duplicate atom serial number found: 52244 
    24143 Duplicate atom serial number found: 52246 
    24144 Duplicate atom serial number found: 52248 
    24145 Ignored bad PDB record found on line 178419 
    24146 ATOM 5224a HWS SOL W9995 -58.510 -8.454 77.864 1.00 0.00 H 
    24147  
    24148 Ignored bad PDB record found on line 178420 
    24149 ATOM 5224c HWS SOL W9995 -59.667 -8.525 76.891 1.00 0.00 H 
    24150  
    24151 Ignored bad PDB record found on line 178421 
    24152 ATOM 5224e OWS SOL W9996 -67.187 14.348 74.612 1.00 0.00 O 
    24153  
    24154 Duplicate atom serial number found: 52250 
    24155 Duplicate atom serial number found: 52252 
    24156 Duplicate atom serial number found: 52254 
    24157 Duplicate atom serial number found: 52256 
    24158 Duplicate atom serial number found: 52258 
    24159 Ignored bad PDB record found on line 178427 
    24160 ATOM 5225a OWS SOL W9998 -69.574 14.199 88.796 1.00 0.00 O 
    24161  
    24162 Ignored bad PDB record found on line 178428 
    24163 ATOM 5225c HWS SOL W9998 -69.508 15.086 89.151 1.00 0.00 H 
    24164  
    24165 Ignored bad PDB record found on line 178429 
    24166 ATOM 5225e HWS SOL W9998 -70.467 14.143 88.456 1.00 0.00 H 
    24167  
    24168 Duplicate atom serial number found: 52260 
    24169 Duplicate atom serial number found: 52262 
    24170 Duplicate atom serial number found: 52264 
    24171 Ignored bad PDB record found on line 178433 
    24172 ATOM 52266 OWS SOL W999a -69.766 -0.426 79.932 1.00 0.00 O 
    24173  
    24174 Ignored bad PDB record found on line 178434 
    24175 ATOM 52268 HWS SOL W999a -70.085 -0.030 79.121 1.00 0.00 H 
    24176  
    24177 Ignored bad PDB record found on line 178435 
    24178 ATOM 5226a HWS SOL W999a -69.163 0.222 80.295 1.00 0.00 H 
    24179  
    24180 Ignored bad PDB record found on line 178436 
    24181 ATOM 5226c OWS SOL W999b -42.777 23.031 81.282 1.00 0.00 O 
    24182  
    24183 Ignored bad PDB record found on line 178437 
    24184 ATOM 5226e HWS SOL W999b -43.024 22.858 80.374 1.00 0.00 H 
    24185  
    24186 407338 messages similar to the above omitted 
    24187 Duplicate atom serial number found: 52266 
    24188 Duplicate atom serial number found: 52268 
    24189 Duplicate atom serial number found: 52270 
    24190 Duplicate atom serial number found: 52272 
    24191 Duplicate atom serial number found: 52274 
    24192 474 messages similar to the above omitted 
    24193  
    24194 Chain information for system_stripped.pdb #1 
    24195 --- 
    24196 Chain | Description 
    24197 A B C | No description available 
    24198  
    24199 
    24200 > close #1
    24201 
    24202 > open /run/media/tic20/storage/structure_dump/covid-19/de_shaw/DESRES-
    24203 > Trajectory_sarscov2-11021566-no-water-zinc-glueCA/sarscov2-11021566-no-
    24204 > water-zinc-glueCA/system_stripped.pdb
    24205 
    24206 Summary of feedback from opening
    24207 /run/media/tic20/storage/structure_dump/covid-19/de_shaw/DESRES-
    24208 Trajectory_sarscov2-11021566-no-water-zinc-glueCA/sarscov2-11021566-no-water-
    24209 zinc-glueCA/system_stripped.pdb 
    24210 --- 
    24211 warnings | Ignored bad PDB record found on line 60190 
    24212 ATOM 186a0 O4_6 NM5 C1171 42.722 -12.917 -65.328 1.00 0.00 O 
    24213  
    24214 Ignored bad PDB record found on line 60191 
    24215 ATOM 186a2 C5 NM5 C1171 28.542 -1.043 -57.066 1.00 0.00 C 
    24216  
    24217 Ignored bad PDB record found on line 60192 
    24218 ATOM 186a4 C5_1 NM5 C1171 30.583 -6.545 -56.390 1.00 0.00 C 
    24219  
    24220 Ignored bad PDB record found on line 60193 
    24221 ATOM 186a6 C5_2 NM5 C1171 36.214 -8.281 -57.188 1.00 0.00 C 
    24222  
    24223 Ignored bad PDB record found on line 60194 
    24224 ATOM 186a8 C5_3 NM5 C1171 32.859 -12.246 -54.295 1.00 0.00 C 
    24225  
    24226 43 messages similar to the above omitted 
    24227 Duplicate atom serial number found: 18700 
    24228 Duplicate atom serial number found: 18702 
    24229 Duplicate atom serial number found: 18704 
    24230 Duplicate atom serial number found: 18706 
    24231 Duplicate atom serial number found: 18708 
    24232 Ignored bad PDB record found on line 60243 
    24233 ATOM 1870a H61 NM5 C1171 30.544 -8.527 -55.702 1.00 0.00 H 
    24234  
    24235 Ignored bad PDB record found on line 60244 
    24236 ATOM 1870c H61 NM5 C1171 37.048 -6.773 -58.506 1.00 0.00 H 
    24237  
    24238 Ignored bad PDB record found on line 60245 
    24239 ATOM 1870e H61 NM5 C1171 41.239 -10.476 -59.729 1.00 0.00 H 
    24240  
    24241 Duplicate atom serial number found: 18710 
    24242 Duplicate atom serial number found: 18712 
    24243 Duplicate atom serial number found: 18714 
    24244 Duplicate atom serial number found: 18716 
    24245 Duplicate atom serial number found: 18718 
    24246 Ignored bad PDB record found on line 60251 
    24247 ATOM 1871a H62 NM5 C1171 38.170 -7.921 -57.746 1.00 0.00 H 
    24248  
    24249 Ignored bad PDB record found on line 60252 
    24250 ATOM 1871c H62 NM5 C1171 40.707 -11.916 -60.480 1.00 0.00 H 
    24251  
    24252 Ignored bad PDB record found on line 60253 
    24253 ATOM 1871e H62 NM5 C1171 44.431 -14.299 -62.932 1.00 0.00 H 
    24254  
    24255 Duplicate atom serial number found: 18720 
    24256 Duplicate atom serial number found: 18722 
    24257 Duplicate atom serial number found: 18724 
    24258 Duplicate atom serial number found: 18726 
    24259 Duplicate atom serial number found: 18728 
    24260 Ignored bad PDB record found on line 60259 
    24261 ATOM 1872a H4O NM5 C1171 32.297 -9.951 -65.815 1.00 0.00 H 
    24262  
    24263 Ignored bad PDB record found on line 60260 
    24264 ATOM 1872c H4O NM5 C1171 31.988 -15.244 -55.074 1.00 0.00 H 
    24265  
    24266 Ignored bad PDB record found on line 60261 
    24267 ATOM 1872e H6O NM5 C1171 28.683 1.436 -57.334 1.00 0.00 H 
    24268  
    24269 Duplicate atom serial number found: 18730 
    24270 Duplicate atom serial number found: 18732 
    24271 Duplicate atom serial number found: 18734 
    24272 Duplicate atom serial number found: 18736 
    24273 Duplicate atom serial number found: 18738 
    24274 Ignored bad PDB record found on line 60267 
    24275 ATOM 1873a H1_2 NM5 C1171 34.296 -7.622 -55.563 1.00 0.00 H 
    24276  
    24277 Ignored bad PDB record found on line 60268 
    24278 ATOM 1873c H1_3 NM5 C1171 36.052 -11.300 -53.844 1.00 0.00 H 
    24279  
    24280 Ignored bad PDB record found on line 60269 
    24281 ATOM 1873e H1_4 NM5 C1171 37.657 -7.281 -60.589 1.00 0.00 H 
    24282  
    24283 Duplicate atom serial number found: 18740 
     599
     600[cut out a _bunch_ of stuff in the middle to get it to fit in the ticket-description length limit]
     601
    24284602Duplicate atom serial number found: 18742 
    24285603Duplicate atom serial number found: 18744