Read libraries from system resource. Wattos started at: January 19, 2007 10:25:24 AM CST Program arguments [1] :[-at] SubMenus:----------------------------------------------------- File Edit View Options Prop - Attr Calc Help - Commands:----------------------------------------------------- - Read libraries from system resource. SubMenus:----------------------------------------------------- File Edit View Options Prop - Attr Calc Help - Commands:----------------------------------------------------- - SubMenus:----------------------------------------------------- File Edit View Options Prop - Attr Calc Help - Commands:----------------------------------------------------- - Enter property name: Enter property value (watch value type) for interactiveSession: Enter property name: Enter property value (watch value type) for verbosity: Enter property name: Enter property value (watch value type) for writeSessionOnExit: Enter property name: Enter property value (watch value type) for stopOnError: Enter url to (gzipped) PDB formatted coordinate file: Doing ReadEntryPDB with arguments: [file:/dumpzone/pdb/nozip/data/structures/all/pdb/pdb1esy.ent, PDB] WARNING: Skipping line with alternate location char: * WARNING: On line: ATOM 29 2HO** G A 1 13.559 -0.462 -2.395 1.00 0.00 H WARNING: Skipping line with alternate location char: * WARNING: On line: ATOM 63 2HO** G A 2 8.766 1.383 -3.285 1.00 0.00 H WARNING: Skipping line with alternate location char: * WARNING: On line: ATOM 94 2HO** C A 3 4.469 4.321 -1.558 1.00 0.00 H WARNING: Skipping line with alternate location char: * WARNING: On line: ATOM 128 2HO** G A 4 0.637 8.321 1.346 1.00 0.00 H WARNING: Skipping line with alternate location char: * WARNING: On line: ATOM 161 2HO** A A 5 0.832 13.169 4.789 1.00 0.00 H WARNING: Skipping line with alternate location char: * WARNING: On line: ATOM 192 2HO** C A 6 4.497 18.823 5.098 1.00 0.00 H WARNING: Skipping line with alternate location char: * WARNING: On line: ATOM 223 2HO** U A 7 9.131 22.455 1.999 1.00 0.00 H WARNING: Skipping line with alternate location char: * WARNING: On line: ATOM 256 2HO** G A 8 10.999 23.898 -3.180 1.00 0.00 H WARNING: Skipping line with alternate location char: * WARNING: On line: ATOM 290 2HO** G A 9 12.702 29.618 -7.215 1.00 0.00 H WARNING: Skipping line with alternate location char: * WARNING: On line: ATOM 321 2HO** U A 10 15.182 21.135 -9.348 1.00 0.00 H WARNING: Skipping line with alternate location char: * WARNING: On line: ATOM 354 2HO** G A 11 18.827 15.160 -9.524 1.00 0.00 H WARNING: Skipping line with alternate location char: * WARNING: On line: ATOM 387 2HO** A A 12 17.286 14.827 0.114 1.00 0.00 H WARNING: Skipping line with alternate location char: * WARNING: On line: ATOM 421 2HO** G A 13 15.184 10.666 5.678 1.00 0.00 H WARNING: Skipping line with alternate location char: * WARNING: On line: ATOM 452 2HO** U A 14 11.631 5.616 7.049 1.00 0.00 H WARNING: Skipping line with alternate location char: * WARNING: On line: ATOM 484 2HO** A A 15 10.150 9.068 14.753 1.00 0.00 H WARNING: Skipping line with alternate location char: * WARNING: On line: ATOM 515 2HO** C A 16 3.601 5.884 11.703 1.00 0.00 H WARNING: Skipping line with alternate location char: * WARNING: On line: ATOM 549 2HO** G A 17 1.246 1.323 9.302 1.00 0.00 H WARNING: Skipping line with alternate location char: * WARNING: On line: ATOM 580 2HO** C A 18 3.537 -4.173 5.364 1.00 0.00 H WARNING: Skipping line with alternate location char: * WARNING: On line: ATOM 611 2HO** C A 19 7.284 -7.009 3.073 1.00 0.00 H WARNING: Skipping line with alternate location char: * WARNING: On line: ATOM 29 2HO** G A 1 14.365 -0.531 -2.805 1.00 0.00 H WARNING: Skipping line with alternate location char: * WARNING: On line: ATOM 63 2HO** G A 2 8.771 1.290 -3.421 1.00 0.00 H WARNING: Skipping line with alternate location char: * WARNING: On line: ATOM 94 2HO** C A 3 3.879 5.486 -0.904 1.00 0.00 H WARNING: Skipping line with alternate location char: * WARNING: On line: ATOM 128 2HO** G A 4 0.196 8.185 0.745 1.00 0.00 H WARNING: Skipping line with alternate location char: * WARNING: On line: ATOM 161 2HO** A A 5 1.036 13.566 4.841 1.00 0.00 H WARNING: Skipping line with alternate location char: * WARNING: On line: ATOM 192 2HO** C A 6 4.722 19.104 5.302 1.00 0.00 H WARNING: Skipping line with alternate location char: * WARNING: On line: ATOM 223 2HO** U A 7 9.075 22.454 1.670 1.00 0.00 H WARNING: Skipping line with alternate location char: * WARNING: On line: ATOM 256 2HO** G A 8 11.409 22.065 -2.992 1.00 0.00 H WARNING: Skipping line with alternate location char: * WARNING: On line: ATOM 290 2HO** G A 9 14.076 27.653 -7.869 1.00 0.00 H WARNING: Skipping line with alternate location char: * WARNING: On line: ATOM 321 2HO** U A 10 17.898 21.009 -10.895 1.00 0.00 H WARNING: Skipping line with alternate location char: * WARNING: On line: ATOM 354 2HO** G A 11 15.496 13.351 -6.614 1.00 0.00 H WARNING: Skipping line with alternate location char: * WARNING: On line: ATOM 387 2HO** A A 12 16.927 15.377 -0.421 1.00 0.00 H WARNING: Skipping line with alternate location char: * WARNING: On line: ATOM 421 2HO** G A 13 15.460 13.023 5.964 1.00 0.00 H WARNING: Skipping line with alternate location char: * WARNING: On line: ATOM 452 2HO** U A 14 11.637 6.791 7.599 1.00 0.00 H WARNING: Skipping line with alternate location char: * WARNING: On line: ATOM 484 2HO** A A 15 10.285 9.149 14.475 1.00 0.00 H WARNING: Skipping line with alternate location char: * WARNING: On line: ATOM 515 2HO** C A 16 3.573 5.743 10.568 1.00 0.00 H WARNING: Skipping line with alternate location char: * WARNING: On line: ATOM 549 2HO** G A 17 1.996 0.158 7.951 1.00 0.00 H WARNING: Skipping line with alternate location char: * WARNING: On line: ATOM 580 2HO** C A 18 3.135 -3.269 5.289 1.00 0.00 H WARNING: Skipping line with alternate location char: * WARNING: On line: ATOM 611 2HO** C A 19 7.763 -8.103 3.918 1.00 0.00 H WARNING: Skipping line with alternate location char: * WARNING: On line: ATOM 29 2HO** G A 1 13.716 -0.372 -2.061 1.00 0.00 H WARNING: Skipping line with alternate location char: * WARNING: On line: ATOM 63 2HO** G A 2 8.348 2.672 -3.834 1.00 0.00 H WARNING: Skipping line with alternate location char: * WARNING: On line: ATOM 94 2HO** C A 3 4.115 4.077 -2.017 1.00 0.00 H WARNING: Skipping line with alternate location char: * WARNING: On line: ATOM 128 2HO** G A 4 0.354 9.515 1.694 1.00 0.00 H WARNING: Skipping line with alternate location char: * WARNING: On line: ATOM 161 2HO** A A 5 0.757 13.755 4.832 1.00 0.00 H WARNING: Skipping line with alternate location char: * WARNING: On line: ATOM 192 2HO** C A 6 3.698 17.687 6.027 1.00 0.00 H WARNING: Skipping line with alternate location char: * WARNING: On line: ATOM 223 2HO** U A 7 8.843 22.332 2.115 1.00 0.00 H WARNING: Skipping line with alternate location char: * WARNING: On line: ATOM 256 2HO** G A 8 11.609 22.640 -2.289 1.00 0.00 H WARNING: Skipping line with alternate location char: * WARNING: On line: ATOM 290 2HO** G A 9 13.421 25.298 -6.311 1.00 0.00 H WARNING: Skipping line with alternate location char: * WARNING: On line: ATOM 321 2HO** U A 10 18.054 21.371 -3.000 1.00 0.00 H WARNING: Skipping line with alternate location char: * WARNING: On line: ATOM 354 2HO** G A 11 20.402 15.553 -3.075 1.00 0.00 H WARNING: Skipping line with alternate location char: * WARNING: On line: ATOM 387 2HO** A A 12 17.185 14.729 0.862 1.00 0.00 H WARNING: Skipping line with alternate location char: * WARNING: On line: ATOM 421 2HO** G A 13 15.424 10.690 5.700 1.00 0.00 H WARNING: Skipping line with alternate location char: * WARNING: On line: ATOM 452 2HO** U A 14 12.069 5.537 7.295 1.00 0.00 H WARNING: Skipping line with alternate location char: * WARNING: On line: ATOM 484 2HO** A A 15 9.887 10.202 14.264 1.00 0.00 H WARNING: Skipping line with alternate location char: * WARNING: On line: ATOM 515 2HO** C A 16 3.812 5.955 10.445 1.00 0.00 H WARNING: Skipping line with alternate location char: * WARNING: On line: ATOM 549 2HO** G A 17 1.459 1.202 8.199 1.00 0.00 H WARNING: Skipping line with alternate location char: * WARNING: On line: ATOM 580 2HO** C A 18 4.396 -4.365 5.724 1.00 0.00 H WARNING: Skipping line with alternate location char: * WARNING: On line: ATOM 611 2HO** C A 19 7.075 -6.928 3.986 1.00 0.00 H WARNING: Skipping line with alternate location char: * WARNING: On line: ATOM 29 2HO** G A 1 13.111 2.675 -3.199 1.00 0.00 H WARNING: Skipping line with alternate location char: * WARNING: On line: ATOM 63 2HO** G A 2 7.998 2.722 -3.316 1.00 0.00 H WARNING: Skipping line with alternate location char: * WARNING: On line: ATOM 94 2HO** C A 3 2.909 4.631 -1.227 1.00 0.00 H WARNING: Skipping line with alternate location char: * WARNING: On line: ATOM 128 2HO** G A 4 -0.175 7.777 0.969 1.00 0.00 H WARNING: Skipping line with alternate location char: * WARNING: On line: ATOM 161 2HO** A A 5 -0.224 14.103 4.107 1.00 0.00 H WARNING: Skipping line with alternate location char: * WARNING: On line: ATOM 192 2HO** C A 6 3.483 17.325 5.482 1.00 0.00 H WARNING: Skipping line with alternate location char: * WARNING: On line: ATOM 223 2HO** U A 7 9.593 20.789 3.374 1.00 0.00 H WARNING: Skipping line with alternate location char: * WARNING: On line: ATOM 256 2HO** G A 8 13.006 23.359 -0.140 1.00 0.00 H WARNING: Skipping line with alternate location char: * WARNING: On line: ATOM 290 2HO** G A 9 12.991 23.680 -7.134 1.00 0.00 H WARNING: Skipping line with alternate location char: * WARNING: On line: ATOM 321 2HO** U A 10 17.802 20.479 -7.719 1.00 0.00 H WARNING: Skipping line with alternate location char: * WARNING: On line: ATOM 354 2HO** G A 11 18.823 12.919 -8.785 1.00 0.00 H WARNING: Skipping line with alternate location char: * WARNING: On line: ATOM 387 2HO** A A 12 15.670 11.468 0.689 1.00 0.00 H WARNING: Skipping line with alternate location char: * WARNING: On line: ATOM 421 2HO** G A 13 14.387 11.412 6.132 1.00 0.00 H WARNING: Skipping line with alternate location char: * WARNING: On line: ATOM 452 2HO** U A 14 11.162 7.269 8.178 1.00 0.00 H WARNING: Skipping line with alternate location char: * WARNING: On line: ATOM 484 2HO** A A 15 9.418 10.514 14.588 1.00 0.00 H WARNING: Skipping line with alternate location char: * WARNING: On line: ATOM 515 2HO** C A 16 3.033 6.385 11.300 1.00 0.00 H WARNING: Skipping line with alternate location char: * WARNING: On line: ATOM 549 2HO** G A 17 3.800 -0.202 8.325 1.00 0.00 H WARNING: Skipping line with alternate location char: * WARNING: On line: ATOM 580 2HO** C A 18 7.112 -3.998 5.980 1.00 0.00 H WARNING: Skipping line with alternate location char: * WARNING: On line: ATOM 611 2HO** C A 19 10.257 -5.466 3.632 1.00 0.00 H WARNING: Skipping line with alternate location char: * WARNING: On line: ATOM 29 2HO** G A 1 13.323 0.386 -1.884 1.00 0.00 H WARNING: Skipping line with alternate location char: * WARNING: On line: ATOM 63 2HO** G A 2 9.422 1.327 -3.288 1.00 0.00 H WARNING: Skipping line with alternate location char: * WARNING: On line: ATOM 94 2HO** C A 3 3.816 5.260 -1.058 1.00 0.00 H WARNING: Skipping line with alternate location char: * WARNING: On line: ATOM 128 2HO** G A 4 0.071 7.973 0.731 1.00 0.00 H WARNING: Skipping line with alternate location char: * WARNING: On line: ATOM 161 2HO** A A 5 -0.162 12.457 4.336 1.00 0.00 H WARNING: Skipping line with alternate location char: * WARNING: On line: ATOM 192 2HO** C A 6 4.268 17.429 6.196 1.00 0.00 H WARNING: Skipping line with alternate location char: * WARNING: On line: ATOM 223 2HO** U A 7 9.405 21.885 2.389 1.00 0.00 H WARNING: Skipping line with alternate location char: * WARNING: On line: ATOM 256 2HO** G A 8 11.847 23.129 -1.274 1.00 0.00 H WARNING: Skipping line with alternate location char: * WARNING: On line: ATOM 290 2HO** G A 9 11.216 26.580 -8.981 1.00 0.00 H WARNING: Skipping line with alternate location char: * WARNING: On line: ATOM 321 2HO** U A 10 18.646 21.010 -9.081 1.00 0.00 H WARNING: Skipping line with alternate location char: * WARNING: On line: ATOM 354 2HO** G A 11 18.812 12.564 -10.710 1.00 0.00 H WARNING: Skipping line with alternate location char: * WARNING: On line: ATOM 387 2HO** A A 12 17.051 15.026 -0.431 1.00 0.00 H WARNING: Skipping line with alternate location char: * WARNING: On line: ATOM 421 2HO** G A 13 15.855 12.978 5.224 1.00 0.00 H WARNING: Skipping line with alternate location char: * WARNING: On line: ATOM 452 2HO** U A 14 11.641 6.875 7.521 1.00 0.00 H WARNING: Skipping line with alternate location char: * WARNING: On line: ATOM 484 2HO** A A 15 10.182 9.371 14.373 1.00 0.00 H WARNING: Skipping line with alternate location char: * WARNING: On line: ATOM 515 2HO** C A 16 3.843 6.476 11.989 1.00 0.00 H WARNING: Skipping line with alternate location char: * WARNING: On line: ATOM 549 2HO** G A 17 1.623 -0.322 8.980 1.00 0.00 H WARNING: Skipping line with alternate location char: * WARNING: On line: ATOM 580 2HO** C A 18 3.170 -3.459 5.880 1.00 0.00 H WARNING: Skipping line with alternate location char: * WARNING: On line: ATOM 611 2HO** C A 19 9.175 -6.770 4.035 1.00 0.00 H WARNING: Skipping line with alternate location char: * WARNING: On line: ATOM 29 2HO** G A 1 13.929 0.887 -1.948 1.00 0.00 H WARNING: Skipping line with alternate location char: * WARNING: On line: ATOM 63 2HO** G A 2 9.374 1.986 -3.311 1.00 0.00 H WARNING: Skipping line with alternate location char: * WARNING: On line: ATOM 94 2HO** C A 3 4.269 4.272 -2.197 1.00 0.00 H WARNING: Skipping line with alternate location char: * WARNING: On line: ATOM 128 2HO** G A 4 -0.410 9.461 0.859 1.00 0.00 H WARNING: Skipping line with alternate location char: * WARNING: On line: ATOM 161 2HO** A A 5 0.351 13.430 4.968 1.00 0.00 H WARNING: Skipping line with alternate location char: * WARNING: On line: ATOM 192 2HO** C A 6 3.791 17.150 6.073 1.00 0.00 H WARNING: Skipping line with alternate location char: * WARNING: On line: ATOM 223 2HO** U A 7 9.436 21.666 2.530 1.00 0.00 H WARNING: Skipping line with alternate location char: * WARNING: On line: ATOM 256 2HO** G A 8 12.140 22.737 -1.851 1.00 0.00 H WARNING: Skipping line with alternate location char: * WARNING: On line: ATOM 290 2HO** G A 9 13.848 27.048 -7.521 1.00 0.00 H WARNING: Skipping line with alternate location char: * WARNING: On line: ATOM 321 2HO** U A 10 20.554 22.939 -7.512 1.00 0.00 H WARNING: Skipping line with alternate location char: * WARNING: On line: ATOM 354 2HO** G A 11 19.220 14.707 -3.731 1.00 0.00 H WARNING: Skipping line with alternate location char: * WARNING: On line: ATOM 387 2HO** A A 12 17.006 14.589 0.119 1.00 0.00 H WARNING: Skipping line with alternate location char: * WARNING: On line: ATOM 421 2HO** G A 13 15.674 11.618 4.923 1.00 0.00 H WARNING: Skipping line with alternate location char: * WARNING: On line: ATOM 452 2HO** U A 14 11.070 5.892 6.955 1.00 0.00 H WARNING: Skipping line with alternate location char: * WARNING: On line: ATOM 484 2HO** A A 15 11.094 11.107 13.848 1.00 0.00 H WARNING: Skipping line with alternate location char: * WARNING: On line: ATOM 515 2HO** C A 16 3.604 5.945 11.030 1.00 0.00 H WARNING: Skipping line with alternate location char: * WARNING: On line: ATOM 549 2HO** G A 17 2.189 -0.547 9.030 1.00 0.00 H WARNING: Skipping line with alternate location char: * WARNING: On line: ATOM 580 2HO** C A 18 5.306 -4.560 5.842 1.00 0.00 H WARNING: Skipping line with alternate location char: * WARNING: On line: ATOM 611 2HO** C A 19 8.330 -6.552 3.710 1.00 0.00 H WARNING: Skipping line with alternate location char: * WARNING: On line: ATOM 29 2HO** G A 1 11.880 -0.411 -2.994 1.00 0.00 H WARNING: Skipping line with alternate location char: * WARNING: On line: ATOM 63 2HO** G A 2 8.013 1.007 -3.916 1.00 0.00 H WARNING: Skipping line with alternate location char: * WARNING: On line: ATOM 94 2HO** C A 3 3.046 5.277 -0.780 1.00 0.00 H WARNING: Skipping line with alternate location char: * WARNING: On line: ATOM 128 2HO** G A 4 -0.513 9.348 0.902 1.00 0.00 H WARNING: Skipping line with alternate location char: * WARNING: On line: ATOM 161 2HO** A A 5 0.638 12.841 4.923 1.00 0.00 H WARNING: Skipping line with alternate location char: * WARNING: On line: ATOM 192 2HO** C A 6 4.770 17.991 5.413 1.00 0.00 H WARNING: Skipping line with alternate location char: * WARNING: On line: ATOM 223 2HO** U A 7 8.827 21.889 2.676 1.00 0.00 H WARNING: Skipping line with alternate location char: * WARNING: On line: ATOM 256 2HO** G A 8 11.779 23.394 -0.626 1.00 0.00 H WARNING: Skipping line with alternate location char: * WARNING: On line: ATOM 290 2HO** G A 9 14.949 28.339 -5.671 1.00 0.00 H WARNING: Skipping line with alternate location char: * WARNING: On line: ATOM 321 2HO** U A 10 20.296 20.495 -0.637 1.00 0.00 H WARNING: Skipping line with alternate location char: * WARNING: On line: ATOM 354 2HO** G A 11 17.860 14.263 -7.676 1.00 0.00 H WARNING: Skipping line with alternate location char: * WARNING: On line: ATOM 387 2HO** A A 12 17.430 15.529 1.022 1.00 0.00 H WARNING: Skipping line with alternate location char: * WARNING: On line: ATOM 421 2HO** G A 13 15.497 12.607 5.761 1.00 0.00 H WARNING: Skipping line with alternate location char: * WARNING: On line: ATOM 452 2HO** U A 14 12.025 5.805 7.033 1.00 0.00 H WARNING: Skipping line with alternate location char: * WARNING: On line: ATOM 484 2HO** A A 15 10.422 10.688 13.760 1.00 0.00 H WARNING: Skipping line with alternate location char: * WARNING: On line: ATOM 515 2HO** C A 16 4.377 6.875 11.978 1.00 0.00 H WARNING: Skipping line with alternate location char: * WARNING: On line: ATOM 549 2HO** G A 17 1.897 1.404 9.972 1.00 0.00 H WARNING: Skipping line with alternate location char: * WARNING: On line: ATOM 580 2HO** C A 18 4.287 -4.426 6.485 1.00 0.00 H WARNING: Skipping line with alternate location char: * WARNING: On line: ATOM 611 2HO** C A 19 8.112 -7.595 4.138 1.00 0.00 H WARNING: Skipping line with alternate location char: * WARNING: On line: ATOM 29 2HO** G A 1 12.309 -0.775 -2.403 1.00 0.00 H WARNING: Skipping line with alternate location char: * WARNING: On line: ATOM 63 2HO** G A 2 8.594 0.633 -3.608 1.00 0.00 H WARNING: Skipping line with alternate location char: * WARNING: On line: ATOM 94 2HO** C A 3 3.905 3.888 -2.027 1.00 0.00 H WARNING: Skipping line with alternate location char: * WARNING: On line: ATOM 128 2HO** G A 4 0.445 8.772 1.657 1.00 0.00 H WARNING: Skipping line with alternate location char: * WARNING: On line: ATOM 161 2HO** A A 5 -0.388 12.537 3.939 1.00 0.00 H WARNING: Skipping line with alternate location char: * WARNING: On line: ATOM 192 2HO** C A 6 3.194 17.163 5.771 1.00 0.00 H WARNING: Skipping line with alternate location char: * WARNING: On line: ATOM 223 2HO** U A 7 8.998 22.051 2.633 1.00 0.00 H WARNING: Skipping line with alternate location char: * WARNING: On line: ATOM 256 2HO** G A 8 11.564 23.735 -0.509 1.00 0.00 H WARNING: Skipping line with alternate location char: * WARNING: On line: ATOM 290 2HO** G A 9 15.082 28.133 -5.651 1.00 0.00 H WARNING: Skipping line with alternate location char: * WARNING: On line: ATOM 321 2HO** U A 10 12.331 20.279 -7.814 1.00 0.00 H WARNING: Skipping line with alternate location char: * WARNING: On line: ATOM 354 2HO** G A 11 20.721 15.726 -6.744 1.00 0.00 H WARNING: Skipping line with alternate location char: * WARNING: On line: ATOM 387 2HO** A A 12 17.016 15.619 0.689 1.00 0.00 H WARNING: Skipping line with alternate location char: * WARNING: On line: ATOM 421 2HO** G A 13 14.337 12.955 6.664 1.00 0.00 H WARNING: Skipping line with alternate location char: * WARNING: On line: ATOM 452 2HO** U A 14 11.750 7.114 7.072 1.00 0.00 H WARNING: Skipping line with alternate location char: * WARNING: On line: ATOM 484 2HO** A A 15 11.963 10.438 13.586 1.00 0.00 H WARNING: Skipping line with alternate location char: * WARNING: On line: ATOM 515 2HO** C A 16 3.897 6.380 11.431 1.00 0.00 H WARNING: Skipping line with alternate location char: * WARNING: On line: ATOM 549 2HO** G A 17 1.809 0.279 9.712 1.00 0.00 H WARNING: Skipping line with alternate location char: * WARNING: On line: ATOM 580 2HO** C A 18 2.837 -3.127 6.074 1.00 0.00 H WARNING: Skipping line with alternate location char: * WARNING: On line: ATOM 611 2HO** C A 19 7.971 -7.539 4.360 1.00 0.00 H WARNING: Skipping line with alternate location char: * WARNING: On line: ATOM 29 2HO** G A 1 12.131 -0.890 -2.445 1.00 0.00 H WARNING: Skipping line with alternate location char: * WARNING: On line: ATOM 63 2HO** G A 2 7.657 1.837 -3.880 1.00 0.00 H WARNING: Skipping line with alternate location char: * WARNING: On line: ATOM 94 2HO** C A 3 3.721 3.667 -1.611 1.00 0.00 H WARNING: Skipping line with alternate location char: * WARNING: On line: ATOM 128 2HO** G A 4 0.360 9.328 1.709 1.00 0.00 H WARNING: Skipping line with alternate location char: * WARNING: On line: ATOM 161 2HO** A A 5 -0.023 12.530 4.275 1.00 0.00 H WARNING: Skipping line with alternate location char: * WARNING: On line: ATOM 192 2HO** C A 6 4.578 18.466 5.345 1.00 0.00 H WARNING: Skipping line with alternate location char: * WARNING: On line: ATOM 223 2HO** U A 7 9.064 22.323 2.452 1.00 0.00 H WARNING: Skipping line with alternate location char: * WARNING: On line: ATOM 256 2HO** G A 8 11.309 23.552 -0.869 1.00 0.00 H WARNING: Skipping line with alternate location char: * WARNING: On line: ATOM 290 2HO** G A 9 16.326 27.357 -2.632 1.00 0.00 H WARNING: Skipping line with alternate location char: * WARNING: On line: ATOM 321 2HO** U A 10 22.134 24.035 -5.039 1.00 0.00 H WARNING: Skipping line with alternate location char: * WARNING: On line: ATOM 354 2HO** G A 11 24.424 15.876 -3.810 1.00 0.00 H WARNING: Skipping line with alternate location char: * WARNING: On line: ATOM 387 2HO** A A 12 16.759 15.339 1.116 1.00 0.00 H WARNING: Skipping line with alternate location char: * WARNING: On line: ATOM 421 2HO** G A 13 13.883 11.907 6.504 1.00 0.00 H WARNING: Skipping line with alternate location char: * WARNING: On line: ATOM 452 2HO** U A 14 12.260 5.287 6.598 1.00 0.00 H WARNING: Skipping line with alternate location char: * WARNING: On line: ATOM 484 2HO** A A 15 10.765 10.327 13.719 1.00 0.00 H WARNING: Skipping line with alternate location char: * WARNING: On line: ATOM 515 2HO** C A 16 4.491 6.989 11.386 1.00 0.00 H WARNING: Skipping line with alternate location char: * WARNING: On line: ATOM 549 2HO** G A 17 1.361 1.920 9.073 1.00 0.00 H WARNING: Skipping line with alternate location char: * WARNING: On line: ATOM 580 2HO** C A 18 2.500 -3.120 6.692 1.00 0.00 H WARNING: Skipping line with alternate location char: * WARNING: On line: ATOM 611 2HO** C A 19 7.371 -8.232 5.200 1.00 0.00 H WARNING: Skipping line with alternate location char: * WARNING: On line: ATOM 29 2HO** G A 1 14.192 2.436 -2.408 1.00 0.00 H WARNING: Skipping line with alternate location char: * WARNING: On line: ATOM 63 2HO** G A 2 8.627 3.859 -3.790 1.00 0.00 H WARNING: Skipping line with alternate location char: * WARNING: On line: ATOM 94 2HO** C A 3 4.320 4.443 -2.144 1.00 0.00 H WARNING: Skipping line with alternate location char: * WARNING: On line: ATOM 128 2HO** G A 4 -0.326 7.884 0.983 1.00 0.00 H WARNING: Skipping line with alternate location char: * WARNING: On line: ATOM 161 2HO** A A 5 0.281 13.360 5.359 1.00 0.00 H WARNING: Skipping line with alternate location char: * WARNING: On line: ATOM 192 2HO** C A 6 4.860 17.371 5.794 1.00 0.00 H WARNING: Skipping line with alternate location char: * WARNING: On line: ATOM 223 2HO** U A 7 9.642 21.648 2.290 1.00 0.00 H WARNING: Skipping line with alternate location char: * WARNING: On line: ATOM 256 2HO** G A 8 12.078 22.865 -1.000 1.00 0.00 H WARNING: Skipping line with alternate location char: * WARNING: On line: ATOM 290 2HO** G A 9 13.980 27.892 -5.880 1.00 0.00 H WARNING: Skipping line with alternate location char: * WARNING: On line: ATOM 321 2HO** U A 10 15.290 19.094 -5.754 1.00 0.00 H WARNING: Skipping line with alternate location char: * WARNING: On line: ATOM 354 2HO** G A 11 17.332 15.447 -8.726 1.00 0.00 H WARNING: Skipping line with alternate location char: * WARNING: On line: ATOM 387 2HO** A A 12 17.005 14.527 -0.406 1.00 0.00 H WARNING: Skipping line with alternate location char: * WARNING: On line: ATOM 421 2HO** G A 13 14.598 11.900 5.764 1.00 0.00 H WARNING: Skipping line with alternate location char: * WARNING: On line: ATOM 452 2HO** U A 14 11.463 5.858 7.625 1.00 0.00 H WARNING: Skipping line with alternate location char: * WARNING: On line: ATOM 484 2HO** A A 15 11.178 10.569 14.289 1.00 0.00 H WARNING: Skipping line with alternate location char: * WARNING: On line: ATOM 515 2HO** C A 16 3.525 5.003 10.810 1.00 0.00 H WARNING: Skipping line with alternate location char: * WARNING: On line: ATOM 549 2HO** G A 17 1.644 0.596 8.723 1.00 0.00 H WARNING: Skipping line with alternate location char: * WARNING: On line: ATOM 580 2HO** C A 18 5.703 -4.539 5.447 1.00 0.00 H WARNING: Skipping line with alternate location char: * WARNING: On line: ATOM 611 2HO** C A 19 8.945 -6.236 3.162 1.00 0.00 H WARNING: Skipping line with alternate location char: * WARNING: On line: ATOM 29 2HO** G A 1 13.887 -0.307 -2.356 1.00 0.00 H WARNING: Skipping line with alternate location char: * WARNING: On line: ATOM 63 2HO** G A 2 9.360 1.888 -3.804 1.00 0.00 H WARNING: Skipping line with alternate location char: * WARNING: On line: ATOM 94 2HO** C A 3 3.963 6.104 -1.183 1.00 0.00 H WARNING: Skipping line with alternate location char: * WARNING: On line: ATOM 128 2HO** G A 4 0.372 7.989 1.042 1.00 0.00 H WARNING: Skipping line with alternate location char: * WARNING: On line: ATOM 161 2HO** A A 5 0.879 13.573 5.199 1.00 0.00 H WARNING: Skipping line with alternate location char: * WARNING: On line: ATOM 192 2HO** C A 6 5.366 18.603 5.387 1.00 0.00 H WARNING: Skipping line with alternate location char: * WARNING: On line: ATOM 223 2HO** U A 7 9.441 22.118 1.783 1.00 0.00 H WARNING: Skipping line with alternate location char: * WARNING: On line: ATOM 256 2HO** G A 8 11.635 22.585 -2.086 1.00 0.00 H WARNING: Skipping line with alternate location char: * WARNING: On line: ATOM 290 2HO** G A 9 13.357 26.334 -7.557 1.00 0.00 H WARNING: Skipping line with alternate location char: * WARNING: On line: ATOM 321 2HO** U A 10 18.800 22.114 -7.226 1.00 0.00 H WARNING: Skipping line with alternate location char: * WARNING: On line: ATOM 354 2HO** G A 11 19.631 15.551 -2.771 1.00 0.00 H WARNING: Skipping line with alternate location char: * WARNING: On line: ATOM 387 2HO** A A 12 17.017 14.796 -1.417 1.00 0.00 H WARNING: Skipping line with alternate location char: * WARNING: On line: ATOM 421 2HO** G A 13 15.522 12.677 5.440 1.00 0.00 H WARNING: Skipping line with alternate location char: * WARNING: On line: ATOM 452 2HO** U A 14 11.785 5.968 7.762 1.00 0.00 H WARNING: Skipping line with alternate location char: * WARNING: On line: ATOM 484 2HO** A A 15 11.304 9.706 14.542 1.00 0.00 H WARNING: Skipping line with alternate location char: * WARNING: On line: ATOM 515 2HO** C A 16 3.596 6.042 11.531 1.00 0.00 H WARNING: Skipping line with alternate location char: * WARNING: On line: ATOM 549 2HO** G A 17 1.242 1.166 8.385 1.00 0.00 H WARNING: Skipping line with alternate location char: * WARNING: On line: ATOM 580 2HO** C A 18 4.041 -4.452 5.200 1.00 0.00 H WARNING: Skipping line with alternate location char: * WARNING: On line: ATOM 611 2HO** C A 19 7.768 -8.131 3.709 1.00 0.00 H WARNING: Skipping line with alternate location char: * WARNING: On line: ATOM 29 2HO** G A 1 13.388 0.506 -2.680 1.00 0.00 H WARNING: Skipping line with alternate location char: * WARNING: On line: ATOM 63 2HO** G A 2 8.934 1.745 -3.767 1.00 0.00 H WARNING: Skipping line with alternate location char: * WARNING: On line: ATOM 94 2HO** C A 3 3.777 5.737 -0.912 1.00 0.00 H WARNING: Skipping line with alternate location char: * WARNING: On line: ATOM 128 2HO** G A 4 0.338 8.744 1.893 1.00 0.00 H WARNING: Skipping line with alternate location char: * WARNING: On line: ATOM 161 2HO** A A 5 -0.197 12.395 4.706 1.00 0.00 H WARNING: Skipping line with alternate location char: * WARNING: On line: ATOM 192 2HO** C A 6 4.894 17.450 5.722 1.00 0.00 H WARNING: Skipping line with alternate location char: * WARNING: On line: ATOM 223 2HO** U A 7 9.166 21.813 2.484 1.00 0.00 H WARNING: Skipping line with alternate location char: * WARNING: On line: ATOM 256 2HO** G A 8 12.103 22.684 -1.641 1.00 0.00 H WARNING: Skipping line with alternate location char: * WARNING: On line: ATOM 290 2HO** G A 9 13.777 24.061 -1.260 1.00 0.00 H WARNING: Skipping line with alternate location char: * WARNING: On line: ATOM 321 2HO** U A 10 20.073 19.102 0.581 1.00 0.00 H WARNING: Skipping line with alternate location char: * WARNING: On line: ATOM 354 2HO** G A 11 18.679 14.917 -6.096 1.00 0.00 H WARNING: Skipping line with alternate location char: * WARNING: On line: ATOM 387 2HO** A A 12 15.956 13.854 0.819 1.00 0.00 H WARNING: Skipping line with alternate location char: * WARNING: On line: ATOM 421 2HO** G A 13 14.360 10.857 5.723 1.00 0.00 H WARNING: Skipping line with alternate location char: * WARNING: On line: ATOM 452 2HO** U A 14 11.460 5.786 6.946 1.00 0.00 H WARNING: Skipping line with alternate location char: * WARNING: On line: ATOM 484 2HO** A A 15 10.879 10.953 14.103 1.00 0.00 H WARNING: Skipping line with alternate location char: * WARNING: On line: ATOM 515 2HO** C A 16 3.833 6.159 10.654 1.00 0.00 H WARNING: Skipping line with alternate location char: * WARNING: On line: ATOM 549 2HO** G A 17 1.734 1.003 8.094 1.00 0.00 H WARNING: Skipping line with alternate location char: * WARNING: On line: ATOM 580 2HO** C A 18 4.150 -4.237 5.350 1.00 0.00 H WARNING: Skipping line with alternate location char: * WARNING: On line: ATOM 611 2HO** C A 19 8.194 -7.336 3.333 1.00 0.00 H WARNING: Skipping line with alternate location char: * WARNING: On line: ATOM 29 2HO** G A 1 15.208 2.142 -2.713 1.00 0.00 H WARNING: Skipping line with alternate location char: * WARNING: On line: ATOM 63 2HO** G A 2 8.591 3.873 -4.033 1.00 0.00 H WARNING: Skipping line with alternate location char: * WARNING: On line: ATOM 94 2HO** C A 3 3.784 5.031 -0.758 1.00 0.00 H WARNING: Skipping line with alternate location char: * WARNING: On line: ATOM 128 2HO** G A 4 -0.334 7.957 0.919 1.00 0.00 H WARNING: Skipping line with alternate location char: * WARNING: On line: ATOM 161 2HO** A A 5 0.509 13.900 5.229 1.00 0.00 H WARNING: Skipping line with alternate location char: * WARNING: On line: ATOM 192 2HO** C A 6 5.181 17.649 5.564 1.00 0.00 H WARNING: Skipping line with alternate location char: * WARNING: On line: ATOM 223 2HO** U A 7 9.664 21.120 2.543 1.00 0.00 H WARNING: Skipping line with alternate location char: * WARNING: On line: ATOM 256 2HO** G A 8 12.559 22.112 -0.286 1.00 0.00 H WARNING: Skipping line with alternate location char: * WARNING: On line: ATOM 290 2HO** G A 9 15.604 22.165 -6.701 1.00 0.00 H WARNING: Skipping line with alternate location char: * WARNING: On line: ATOM 321 2HO** U A 10 18.208 16.408 -9.202 1.00 0.00 H WARNING: Skipping line with alternate location char: * WARNING: On line: ATOM 354 2HO** G A 11 21.129 8.615 -7.955 1.00 0.00 H WARNING: Skipping line with alternate location char: * WARNING: On line: ATOM 387 2HO** A A 12 15.621 11.792 0.861 1.00 0.00 H WARNING: Skipping line with alternate location char: * WARNING: On line: ATOM 421 2HO** G A 13 14.496 10.912 6.295 1.00 0.00 H WARNING: Skipping line with alternate location char: * WARNING: On line: ATOM 452 2HO** U A 14 10.830 5.946 7.130 1.00 0.00 H WARNING: Skipping line with alternate location char: * WARNING: On line: ATOM 484 2HO** A A 15 9.767 9.478 14.767 1.00 0.00 H WARNING: Skipping line with alternate location char: * WARNING: On line: ATOM 515 2HO** C A 16 3.446 6.412 11.795 1.00 0.00 H WARNING: Skipping line with alternate location char: * WARNING: On line: ATOM 549 2HO** G A 17 2.605 0.089 7.681 1.00 0.00 H WARNING: Skipping line with alternate location char: * WARNING: On line: ATOM 580 2HO** C A 18 5.190 -3.487 4.940 1.00 0.00 H WARNING: Skipping line with alternate location char: * WARNING: On line: ATOM 611 2HO** C A 19 10.362 -5.765 3.101 1.00 0.00 H WARNING: Skipping line with alternate location char: * WARNING: On line: ATOM 29 2HO** G A 1 13.326 -0.724 -2.261 1.00 0.00 H WARNING: Skipping line with alternate location char: * WARNING: On line: ATOM 63 2HO** G A 2 9.116 1.474 -3.698 1.00 0.00 H WARNING: Skipping line with alternate location char: * WARNING: On line: ATOM 94 2HO** C A 3 3.954 5.303 -0.671 1.00 0.00 H WARNING: Skipping line with alternate location char: * WARNING: On line: ATOM 128 2HO** G A 4 0.476 9.066 1.741 1.00 0.00 H WARNING: Skipping line with alternate location char: * WARNING: On line: ATOM 161 2HO** A A 5 0.726 13.682 4.770 1.00 0.00 H WARNING: Skipping line with alternate location char: * WARNING: On line: ATOM 192 2HO** C A 6 4.746 18.486 5.372 1.00 0.00 H WARNING: Skipping line with alternate location char: * WARNING: On line: ATOM 223 2HO** U A 7 9.627 21.637 2.568 1.00 0.00 H WARNING: Skipping line with alternate location char: * WARNING: On line: ATOM 256 2HO** G A 8 11.315 23.639 -0.080 1.00 0.00 H WARNING: Skipping line with alternate location char: * WARNING: On line: ATOM 290 2HO** G A 9 10.593 27.347 -6.900 1.00 0.00 H WARNING: Skipping line with alternate location char: * WARNING: On line: ATOM 321 2HO** U A 10 14.970 21.157 -3.518 1.00 0.00 H WARNING: Skipping line with alternate location char: * WARNING: On line: ATOM 354 2HO** G A 11 20.010 15.851 -3.200 1.00 0.00 H WARNING: Skipping line with alternate location char: * WARNING: On line: ATOM 387 2HO** A A 12 16.873 14.631 0.213 1.00 0.00 H WARNING: Skipping line with alternate location char: * WARNING: On line: ATOM 421 2HO** G A 13 14.039 11.371 5.775 1.00 0.00 H WARNING: Skipping line with alternate location char: * WARNING: On line: ATOM 452 2HO** U A 14 12.074 5.775 7.586 1.00 0.00 H WARNING: Skipping line with alternate location char: * WARNING: On line: ATOM 484 2HO** A A 15 9.740 9.882 14.450 1.00 0.00 H WARNING: Skipping line with alternate location char: * WARNING: On line: ATOM 515 2HO** C A 16 3.894 5.138 10.642 1.00 0.00 H WARNING: Skipping line with alternate location char: * WARNING: On line: ATOM 549 2HO** G A 17 1.411 1.404 8.421 1.00 0.00 H WARNING: Skipping line with alternate location char: * WARNING: On line: ATOM 580 2HO** C A 18 2.688 -3.172 5.929 1.00 0.00 H WARNING: Skipping line with alternate location char: * WARNING: On line: ATOM 611 2HO** C A 19 6.153 -7.304 3.849 1.00 0.00 H WARNING: Skipping line with alternate location char: * WARNING: On line: ATOM 29 2HO** G A 1 12.784 0.327 -2.552 1.00 0.00 H WARNING: Skipping line with alternate location char: * WARNING: On line: ATOM 63 2HO** G A 2 8.983 1.555 -3.649 1.00 0.00 H WARNING: Skipping line with alternate location char: * WARNING: On line: ATOM 94 2HO** C A 3 3.714 5.687 -0.855 1.00 0.00 H WARNING: Skipping line with alternate location char: * WARNING: On line: ATOM 128 2HO** G A 4 0.272 9.480 1.792 1.00 0.00 H WARNING: Skipping line with alternate location char: * WARNING: On line: ATOM 161 2HO** A A 5 0.558 13.542 5.076 1.00 0.00 H WARNING: Skipping line with alternate location char: * WARNING: On line: ATOM 192 2HO** C A 6 3.821 17.301 5.884 1.00 0.00 H WARNING: Skipping line with alternate location char: * WARNING: On line: ATOM 223 2HO** U A 7 8.999 21.817 2.508 1.00 0.00 H WARNING: Skipping line with alternate location char: * WARNING: On line: ATOM 256 2HO** G A 8 11.846 23.299 -0.607 1.00 0.00 H WARNING: Skipping line with alternate location char: * WARNING: On line: ATOM 290 2HO** G A 9 15.511 26.440 -6.340 1.00 0.00 H WARNING: Skipping line with alternate location char: * WARNING: On line: ATOM 321 2HO** U A 10 22.275 23.305 -2.648 1.00 0.00 H WARNING: Skipping line with alternate location char: * WARNING: On line: ATOM 354 2HO** G A 11 19.933 14.455 -2.232 1.00 0.00 H WARNING: Skipping line with alternate location char: * WARNING: On line: ATOM 387 2HO** A A 12 16.957 15.363 -0.378 1.00 0.00 H WARNING: Skipping line with alternate location char: * WARNING: On line: ATOM 421 2HO** G A 13 13.997 11.741 5.492 1.00 0.00 H WARNING: Skipping line with alternate location char: * WARNING: On line: ATOM 452 2HO** U A 14 12.009 5.796 7.528 1.00 0.00 H WARNING: Skipping line with alternate location char: * WARNING: On line: ATOM 484 2HO** A A 15 11.036 10.903 14.056 1.00 0.00 H WARNING: Skipping line with alternate location char: * WARNING: On line: ATOM 515 2HO** C A 16 3.911 6.453 11.718 1.00 0.00 H WARNING: Skipping line with alternate location char: * WARNING: On line: ATOM 549 2HO** G A 17 2.077 0.096 8.148 1.00 0.00 H WARNING: Skipping line with alternate location char: * WARNING: On line: ATOM 580 2HO** C A 18 4.197 -4.449 5.664 1.00 0.00 H WARNING: Skipping line with alternate location char: * WARNING: On line: ATOM 611 2HO** C A 19 8.302 -7.583 3.694 1.00 0.00 H WARNING: Skipping line with alternate location char: * WARNING: On line: ATOM 29 2HO** G A 1 13.036 -0.183 -2.265 1.00 0.00 H WARNING: Skipping line with alternate location char: * WARNING: On line: ATOM 63 2HO** G A 2 8.058 2.492 -2.994 1.00 0.00 H WARNING: Skipping line with alternate location char: * WARNING: On line: ATOM 94 2HO** C A 3 4.348 4.150 -1.819 1.00 0.00 H WARNING: Skipping line with alternate location char: * WARNING: On line: ATOM 128 2HO** G A 4 0.327 8.244 1.321 1.00 0.00 H WARNING: Skipping line with alternate location char: * WARNING: On line: ATOM 161 2HO** A A 5 0.723 13.789 4.738 1.00 0.00 H WARNING: Skipping line with alternate location char: * WARNING: On line: ATOM 192 2HO** C A 6 3.834 18.887 5.066 1.00 0.00 H WARNING: Skipping line with alternate location char: * WARNING: On line: ATOM 223 2HO** U A 7 9.714 21.607 2.566 1.00 0.00 H WARNING: Skipping line with alternate location char: * WARNING: On line: ATOM 256 2HO** G A 8 11.417 24.310 -1.621 1.00 0.00 H WARNING: Skipping line with alternate location char: * WARNING: On line: ATOM 290 2HO** G A 9 10.475 26.747 -7.312 1.00 0.00 H WARNING: Skipping line with alternate location char: * WARNING: On line: ATOM 321 2HO** U A 10 15.831 24.797 -5.705 1.00 0.00 H WARNING: Skipping line with alternate location char: * WARNING: On line: ATOM 354 2HO** G A 11 18.069 16.368 -3.128 1.00 0.00 H WARNING: Skipping line with alternate location char: * WARNING: On line: ATOM 387 2HO** A A 12 15.959 14.188 0.580 1.00 0.00 H WARNING: Skipping line with alternate location char: * WARNING: On line: ATOM 421 2HO** G A 13 14.083 11.673 5.599 1.00 0.00 H WARNING: Skipping line with alternate location char: * WARNING: On line: ATOM 452 2HO** U A 14 11.790 5.637 7.280 1.00 0.00 H WARNING: Skipping line with alternate location char: * WARNING: On line: ATOM 484 2HO** A A 15 11.178 10.795 14.055 1.00 0.00 H WARNING: Skipping line with alternate location char: * WARNING: On line: ATOM 515 2HO** C A 16 3.891 5.070 10.654 1.00 0.00 H WARNING: Skipping line with alternate location char: * WARNING: On line: ATOM 549 2HO** G A 17 1.955 0.246 8.057 1.00 0.00 H WARNING: Skipping line with alternate location char: * WARNING: On line: ATOM 580 2HO** C A 18 3.687 -3.546 5.220 1.00 0.00 H WARNING: Skipping line with alternate location char: * WARNING: On line: ATOM 611 2HO** C A 19 6.477 -7.065 3.745 1.00 0.00 H WARNING: Skipping line with alternate location char: * WARNING: On line: ATOM 29 2HO** G A 1 13.980 -0.910 -2.427 1.00 0.00 H WARNING: Skipping line with alternate location char: * WARNING: On line: ATOM 63 2HO** G A 2 7.970 2.178 -2.877 1.00 0.00 H WARNING: Skipping line with alternate location char: * WARNING: On line: ATOM 94 2HO** C A 3 3.921 5.774 -1.077 1.00 0.00 H WARNING: Skipping line with alternate location char: * WARNING: On line: ATOM 128 2HO** G A 4 0.192 7.926 0.603 1.00 0.00 H WARNING: Skipping line with alternate location char: * WARNING: On line: ATOM 161 2HO** A A 5 -0.240 14.117 3.803 1.00 0.00 H WARNING: Skipping line with alternate location char: * WARNING: On line: ATOM 192 2HO** C A 6 4.144 18.863 5.093 1.00 0.00 H WARNING: Skipping line with alternate location char: * WARNING: On line: ATOM 223 2HO** U A 7 9.325 22.173 2.567 1.00 0.00 H WARNING: Skipping line with alternate location char: * WARNING: On line: ATOM 256 2HO** G A 8 11.352 24.629 -1.929 1.00 0.00 H WARNING: Skipping line with alternate location char: * WARNING: On line: ATOM 290 2HO** G A 9 13.039 29.814 -5.555 1.00 0.00 H WARNING: Skipping line with alternate location char: * WARNING: On line: ATOM 321 2HO** U A 10 18.843 21.290 -4.741 1.00 0.00 H WARNING: Skipping line with alternate location char: * WARNING: On line: ATOM 354 2HO** G A 11 19.656 14.184 -4.760 1.00 0.00 H WARNING: Skipping line with alternate location char: * WARNING: On line: ATOM 387 2HO** A A 12 17.600 14.995 -1.320 1.00 0.00 H WARNING: Skipping line with alternate location char: * WARNING: On line: ATOM 421 2HO** G A 13 15.132 12.181 5.192 1.00 0.00 H WARNING: Skipping line with alternate location char: * WARNING: On line: ATOM 452 2HO** U A 14 11.562 7.315 7.707 1.00 0.00 H WARNING: Skipping line with alternate location char: * WARNING: On line: ATOM 484 2HO** A A 15 10.242 9.385 14.589 1.00 0.00 H WARNING: Skipping line with alternate location char: * WARNING: On line: ATOM 515 2HO** C A 16 3.627 5.953 11.544 1.00 0.00 H WARNING: Skipping line with alternate location char: * WARNING: On line: ATOM 549 2HO** G A 17 1.877 0.772 8.201 1.00 0.00 H WARNING: Skipping line with alternate location char: * WARNING: On line: ATOM 580 2HO** C A 18 3.027 -3.207 5.730 1.00 0.00 H WARNING: Skipping line with alternate location char: * WARNING: On line: ATOM 611 2HO** C A 19 8.003 -7.696 3.872 1.00 0.00 H WARNING: Skipping line with alternate location char: * WARNING: On line: ATOM 29 2HO** G A 1 13.353 0.999 -2.085 1.00 0.00 H WARNING: Skipping line with alternate location char: * WARNING: On line: ATOM 63 2HO** G A 2 8.224 2.642 -2.900 1.00 0.00 H WARNING: Skipping line with alternate location char: * WARNING: On line: ATOM 94 2HO** C A 3 4.256 4.162 -2.033 1.00 0.00 H WARNING: Skipping line with alternate location char: * WARNING: On line: ATOM 128 2HO** G A 4 0.201 8.930 1.984 1.00 0.00 H WARNING: Skipping line with alternate location char: * WARNING: On line: ATOM 161 2HO** A A 5 0.204 12.818 5.130 1.00 0.00 H WARNING: Skipping line with alternate location char: * WARNING: On line: ATOM 192 2HO** C A 6 4.982 17.476 5.633 1.00 0.00 H WARNING: Skipping line with alternate location char: * WARNING: On line: ATOM 223 2HO** U A 7 9.182 21.848 2.329 1.00 0.00 H WARNING: Skipping line with alternate location char: * WARNING: On line: ATOM 256 2HO** G A 8 11.277 24.208 -2.416 1.00 0.00 H WARNING: Skipping line with alternate location char: * WARNING: On line: ATOM 290 2HO** G A 9 13.569 29.221 -6.847 1.00 0.00 H WARNING: Skipping line with alternate location char: * WARNING: On line: ATOM 321 2HO** U A 10 19.847 23.399 -7.511 1.00 0.00 H WARNING: Skipping line with alternate location char: * WARNING: On line: ATOM 354 2HO** G A 11 15.185 14.345 -7.039 1.00 0.00 H WARNING: Skipping line with alternate location char: * WARNING: On line: ATOM 387 2HO** A A 12 17.379 14.652 0.076 1.00 0.00 H WARNING: Skipping line with alternate location char: * WARNING: On line: ATOM 421 2HO** G A 13 14.588 10.928 5.605 1.00 0.00 H WARNING: Skipping line with alternate location char: * WARNING: On line: ATOM 452 2HO** U A 14 11.598 7.318 7.703 1.00 0.00 H WARNING: Skipping line with alternate location char: * WARNING: On line: ATOM 484 2HO** A A 15 10.375 10.628 14.198 1.00 0.00 H WARNING: Skipping line with alternate location char: * WARNING: On line: ATOM 515 2HO** C A 16 3.886 6.204 12.219 1.00 0.00 H WARNING: Skipping line with alternate location char: * WARNING: On line: ATOM 549 2HO** G A 17 1.912 -0.538 8.960 1.00 0.00 H WARNING: Skipping line with alternate location char: * WARNING: On line: ATOM 580 2HO** C A 18 4.316 -3.607 5.108 1.00 0.00 H WARNING: Skipping line with alternate location char: * WARNING: On line: ATOM 611 2HO** C A 19 9.456 -7.301 4.069 1.00 0.00 H WARNING: Skipping line with alternate location char: * WARNING: On line: ATOM 29 2HO** G A 1 14.508 -0.425 -2.485 1.00 0.00 H WARNING: Skipping line with alternate location char: * WARNING: On line: ATOM 63 2HO** G A 2 9.278 1.547 -3.639 1.00 0.00 H WARNING: Skipping line with alternate location char: * WARNING: On line: ATOM 94 2HO** C A 3 3.929 5.675 -1.019 1.00 0.00 H WARNING: Skipping line with alternate location char: * WARNING: On line: ATOM 128 2HO** G A 4 0.191 8.106 0.755 1.00 0.00 H WARNING: Skipping line with alternate location char: * WARNING: On line: ATOM 161 2HO** A A 5 0.502 12.830 4.767 1.00 0.00 H WARNING: Skipping line with alternate location char: * WARNING: On line: ATOM 192 2HO** C A 6 4.616 18.677 5.236 1.00 0.00 H WARNING: Skipping line with alternate location char: * WARNING: On line: ATOM 223 2HO** U A 7 9.574 21.590 2.585 1.00 0.00 H WARNING: Skipping line with alternate location char: * WARNING: On line: ATOM 256 2HO** G A 8 11.716 23.344 -1.727 1.00 0.00 H WARNING: Skipping line with alternate location char: * WARNING: On line: ATOM 290 2HO** G A 9 14.933 29.381 -4.480 1.00 0.00 H WARNING: Skipping line with alternate location char: * WARNING: On line: ATOM 321 2HO** U A 10 20.670 21.624 -6.572 1.00 0.00 H WARNING: Skipping line with alternate location char: * WARNING: On line: ATOM 354 2HO** G A 11 17.995 16.402 -1.229 1.00 0.00 H WARNING: Skipping line with alternate location char: * WARNING: On line: ATOM 387 2HO** A A 12 16.016 13.741 0.670 1.00 0.00 H WARNING: Skipping line with alternate location char: * WARNING: On line: ATOM 421 2HO** G A 13 14.080 11.496 5.549 1.00 0.00 H WARNING: Skipping line with alternate location char: * WARNING: On line: ATOM 452 2HO** U A 14 11.642 7.135 7.700 1.00 0.00 H WARNING: Skipping line with alternate location char: * WARNING: On line: ATOM 484 2HO** A A 15 11.727 10.198 14.002 1.00 0.00 H WARNING: Skipping line with alternate location char: * WARNING: On line: ATOM 515 2HO** C A 16 3.560 6.262 10.681 1.00 0.00 H WARNING: Skipping line with alternate location char: * WARNING: On line: ATOM 549 2HO** G A 17 1.195 1.333 9.029 1.00 0.00 H WARNING: Skipping line with alternate location char: * WARNING: On line: ATOM 580 2HO** C A 18 3.785 -3.657 5.214 1.00 0.00 H WARNING: Skipping line with alternate location char: * WARNING: On line: ATOM 611 2HO** C A 19 7.042 -6.692 3.384 1.00 0.00 H WARNING: Skipping line with alternate location char: * WARNING: On line: ATOM 29 2HO** G A 1 14.774 -0.418 -2.671 1.00 0.00 H WARNING: Skipping line with alternate location char: * WARNING: On line: ATOM 63 2HO** G A 2 8.760 1.365 -3.776 1.00 0.00 H WARNING: Skipping line with alternate location char: * WARNING: On line: ATOM 94 2HO** C A 3 4.161 4.194 -2.060 1.00 0.00 H WARNING: Skipping line with alternate location char: * WARNING: On line: ATOM 128 2HO** G A 4 0.143 8.228 0.818 1.00 0.00 H WARNING: Skipping line with alternate location char: * WARNING: On line: ATOM 161 2HO** A A 5 1.081 14.023 4.793 1.00 0.00 H WARNING: Skipping line with alternate location char: * WARNING: On line: ATOM 192 2HO** C A 6 4.967 17.870 5.836 1.00 0.00 H WARNING: Skipping line with alternate location char: * WARNING: On line: ATOM 223 2HO** U A 7 8.885 22.350 1.778 1.00 0.00 H WARNING: Skipping line with alternate location char: * WARNING: On line: ATOM 256 2HO** G A 8 10.756 23.944 -3.297 1.00 0.00 H WARNING: Skipping line with alternate location char: * WARNING: On line: ATOM 290 2HO** G A 9 13.839 30.114 -6.723 1.00 0.00 H WARNING: Skipping line with alternate location char: * WARNING: On line: ATOM 321 2HO** U A 10 19.137 22.007 -8.768 1.00 0.00 H WARNING: Skipping line with alternate location char: * WARNING: On line: ATOM 354 2HO** G A 11 22.181 15.389 -6.241 1.00 0.00 H WARNING: Skipping line with alternate location char: * WARNING: On line: ATOM 387 2HO** A A 12 17.099 15.650 -0.197 1.00 0.00 H WARNING: Skipping line with alternate location char: * WARNING: On line: ATOM 421 2HO** G A 13 14.614 13.188 6.094 1.00 0.00 H WARNING: Skipping line with alternate location char: * WARNING: On line: ATOM 452 2HO** U A 14 11.609 5.414 6.561 1.00 0.00 H WARNING: Skipping line with alternate location char: * WARNING: On line: ATOM 484 2HO** A A 15 10.249 10.430 14.231 1.00 0.00 H WARNING: Skipping line with alternate location char: * WARNING: On line: ATOM 515 2HO** C A 16 3.934 6.503 11.843 1.00 0.00 H WARNING: Skipping line with alternate location char: * WARNING: On line: ATOM 549 2HO** G A 17 1.170 1.299 9.179 1.00 0.00 H WARNING: Skipping line with alternate location char: * WARNING: On line: ATOM 580 2HO** C A 18 3.740 -4.607 5.871 1.00 0.00 H WARNING: Skipping line with alternate location char: * WARNING: On line: ATOM 611 2HO** C A 19 7.498 -8.201 3.975 1.00 0.00 H Read total number of atoms from PDB formatted coordinate list: 11940 Tolerance (0.1 Angstrom suggested) Doing CalcBond with arguments: [0.1] Done. Checked number of potential pairs: 768 Found number of new bond candidates: 645 Hydrogen bond distance between proton and acceptor cutoff (2.7 Angstroms suggested) Hydrogen bond distance between donor and acceptor cutoff (3.35 Angstroms suggested) Hydrogen bond angle (D-H-A) cutoff (90 degrees suggested) Doing CalcHydrogenBond with arguments: [2.7, 3.35, 90.0] Found number of new hydrogen bond candidates: 21 Found number of new hydrogen bonds: 21 Atom Res#(Nam) Mol# Atom Res#(Nam) Mol# Model# Entry# Value_1 Value_2 RefValue RefSD Type Minimum Average Maximum Under cutoff N1 1(G ) 1 N3 19(C ) 1 1 1 2.883 165.640 5 N2 1(G ) 1 O2 19(C ) 1 1 1 2.903 174.611 5 N1 2(G ) 1 N3 18(C ) 1 1 1 2.892 170.826 5 N2 2(G ) 1 O2 18(C ) 1 1 1 2.890 164.132 5 N4 3(C ) 1 O6 17(G ) 1 1 1 2.897 168.905 5 N1 4(G ) 1 N3 16(C ) 1 1 1 2.878 170.505 5 N2 4(G ) 1 O2 16(C ) 1 1 1 2.894 165.973 5 N4 6(C ) 1 O6 13(G ) 1 1 1 2.896 171.962 5 N3 7(U ) 1 N1 12(A ) 1 1 1 2.957 156.886 5 N1 8(G ) 1 N6 12(A ) 1 1 1 2.695 102.793 5 N6 12(A ) 1 O4 7(U ) 1 1 1 2.897 171.936 5 N1 13(G ) 1 N3 6(C ) 1 1 1 2.896 172.390 5 N2 13(G ) 1 O2 6(C ) 1 1 1 2.895 170.483 5 N6 15(A ) 1 N1 5(A ) 1 1 1 2.888 166.212 5 N6 15(A ) 1 O2 14(U ) 1 1 1 2.879 158.353 5 N4 16(C ) 1 O6 4(G ) 1 1 1 2.896 166.491 5 N4 16(C ) 1 O2* 14(U ) 1 1 1 2.943 153.935 5 N1 17(G ) 1 N3 3(C ) 1 1 1 2.883 169.342 5 N2 17(G ) 1 O2 3(C ) 1 1 1 2.900 170.304 5 N4 18(C ) 1 O6 2(G ) 1 1 1 2.898 171.371 5 N4 19(C ) 1 O6 1(G ) 1 1 1 2.898 169.207 5 Angle cutoff (40.0 degrees suggested) Use only Watson Crick basepairing (false suggested) (y/n): Enter cvs file name (with path) for output of CalcCoPlanarBasesSet.: Doing CalcCoPlanarBasesSet with arguments: [45.0, true, 1esy_wc.csv] Trying to match bases to eachother for number of bases: 19 Considering number of hydrogen bonds: 21 Results contains number of sets of co-planar bases: 6 Results: Residue: 1( G) Mol: 1 Model: 1 Entry: 1 Residue: 19( C) Mol: 1 Model: 1 Entry: 1 Residue: 2( G) Mol: 1 Model: 1 Entry: 1 Residue: 18( C) Mol: 1 Model: 1 Entry: 1 Residue: 3( C) Mol: 1 Model: 1 Entry: 1 Residue: 17( G) Mol: 1 Model: 1 Entry: 1 Residue: 4( G) Mol: 1 Model: 1 Entry: 1 Residue: 16( C) Mol: 1 Model: 1 Entry: 1 Residue: 6( C) Mol: 1 Model: 1 Entry: 1 Residue: 13( G) Mol: 1 Model: 1 Entry: 1 Residue: 7( U) Mol: 1 Model: 1 Entry: 1 Residue: 12( A) Mol: 1 Model: 1 Entry: 1 Writing results to file: 1esy_wc.csv Wattos started at: January 19, 2007 10:25:24 AM CST Wattos stopped at: January 19, 2007 10:25:28 AM CST Wattos took (#ms): 4249