USER MOD reduce.3.24.130724 H: found=0, std=0, add=122, rem=0, adj=2 USER MOD reduce.3.24.130724 removed 120 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 27 GLN : amide:sc= -0.979 K(o=-0.98,f=0.73) USER MOD Single : A 29 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 30 HIS : no HE2:sc= 0.0109 X(o=0.011,f=-0.3) USER MOD Single : A 33 GLN : amide:sc= -0.847 X(o=-0.85,f=-0.4) USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 411 N ALA A 22 -2.734 -0.520 -9.950 1.00 0.00 N ATOM 412 CA ALA A 22 -2.928 0.302 -11.133 1.00 0.00 C ATOM 413 C ALA A 22 -4.360 0.126 -11.642 1.00 0.00 C ATOM 414 O ALA A 22 -4.937 1.051 -12.212 1.00 0.00 O ATOM 415 CB ALA A 22 -1.884 -0.068 -12.188 1.00 0.00 C ATOM 0 HA ALA A 22 -2.791 1.357 -10.895 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -2.029 0.548 -13.075 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -0.885 0.103 -11.787 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -1.993 -1.119 -12.455 1.00 0.00 H new ATOM 421 N ARG A 23 -4.891 -1.067 -11.418 1.00 0.00 N ATOM 422 CA ARG A 23 -6.244 -1.376 -11.848 1.00 0.00 C ATOM 423 C ARG A 23 -6.994 -2.123 -10.743 1.00 0.00 C ATOM 424 O ARG A 23 -7.974 -2.815 -11.012 1.00 0.00 O ATOM 425 CB ARG A 23 -6.238 -2.228 -13.118 1.00 0.00 C ATOM 426 CG ARG A 23 -7.457 -1.921 -13.991 1.00 0.00 C ATOM 427 CD ARG A 23 -7.229 -0.659 -14.824 1.00 0.00 C ATOM 428 NE ARG A 23 -8.111 -0.673 -16.014 1.00 0.00 N ATOM 429 CZ ARG A 23 -9.387 -0.233 -16.015 1.00 0.00 C ATOM 430 NH1 ARG A 23 -9.943 0.260 -14.888 1.00 0.00 N ATOM 431 NH2 ARG A 23 -10.083 -0.292 -17.135 1.00 0.00 N ATOM 0 H ARG A 23 -4.409 -1.831 -10.944 1.00 0.00 H new ATOM 0 HA ARG A 23 -6.748 -0.433 -12.060 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -5.325 -2.039 -13.683 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -6.234 -3.285 -12.851 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -7.659 -2.765 -14.650 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -8.337 -1.791 -13.361 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -7.431 0.226 -14.221 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -6.186 -0.602 -15.135 1.00 0.00 H new ATOM 0 HE ARG A 23 -7.730 -1.038 -16.887 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -9.398 0.302 -14.027 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -10.908 0.590 -14.898 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -9.655 -0.666 -17.982 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -11.049 0.036 -17.153 1.00 0.00 H new ATOM 444 N ASP A 24 -6.504 -1.958 -9.523 1.00 0.00 N ATOM 445 CA ASP A 24 -7.115 -2.609 -8.377 1.00 0.00 C ATOM 446 C ASP A 24 -6.024 -3.014 -7.384 1.00 0.00 C ATOM 447 O ASP A 24 -5.918 -2.438 -6.303 1.00 0.00 O ATOM 448 CB ASP A 24 -7.866 -3.873 -8.797 1.00 0.00 C ATOM 449 CG ASP A 24 -9.362 -3.680 -9.057 1.00 0.00 C ATOM 450 OD1 ASP A 24 -10.157 -4.625 -8.943 1.00 0.00 O ATOM 451 OD2 ASP A 24 -9.707 -2.483 -9.396 1.00 0.00 O ATOM 0 H ASP A 24 -5.691 -1.383 -9.303 1.00 0.00 H new ATOM 0 HA ASP A 24 -7.816 -1.907 -7.925 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -7.403 -4.269 -9.701 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -7.742 -4.627 -8.019 1.00 0.00 H new ATOM 457 N ILE A 25 -5.241 -4.004 -7.787 1.00 0.00 N ATOM 458 CA ILE A 25 -4.161 -4.494 -6.947 1.00 0.00 C ATOM 459 C ILE A 25 -3.003 -4.958 -7.831 1.00 0.00 C ATOM 460 O ILE A 25 -1.844 -4.659 -7.549 1.00 0.00 O ATOM 461 CB ILE A 25 -4.675 -5.571 -5.989 1.00 0.00 C ATOM 462 CG1 ILE A 25 -5.831 -5.042 -5.137 1.00 0.00 C ATOM 463 CG2 ILE A 25 -3.538 -6.129 -5.131 1.00 0.00 C ATOM 464 CD1 ILE A 25 -5.355 -3.936 -4.194 1.00 0.00 C ATOM 0 H ILE A 25 -5.333 -4.480 -8.684 1.00 0.00 H new ATOM 0 HA ILE A 25 -3.777 -3.694 -6.314 1.00 0.00 H new ATOM 0 HB ILE A 25 -5.066 -6.398 -6.582 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -6.619 -4.658 -5.785 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -6.264 -5.858 -4.558 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -3.930 -6.892 -4.459 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -2.778 -6.569 -5.776 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -3.095 -5.323 -4.546 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -6.196 -3.577 -3.600 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -4.584 -4.330 -3.531 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -4.945 -3.112 -4.778 1.00 0.00 H new ATOM 476 N ILE A 26 -3.357 -5.683 -8.883 1.00 0.00 N ATOM 477 CA ILE A 26 -2.361 -6.192 -9.810 1.00 0.00 C ATOM 478 C ILE A 26 -2.852 -5.984 -11.243 1.00 0.00 C ATOM 479 O ILE A 26 -2.796 -6.901 -12.061 1.00 0.00 O ATOM 480 CB ILE A 26 -2.017 -7.646 -9.482 1.00 0.00 C ATOM 481 CG1 ILE A 26 -1.585 -7.792 -8.021 1.00 0.00 C ATOM 482 CG2 ILE A 26 -0.964 -8.192 -10.449 1.00 0.00 C ATOM 483 CD1 ILE A 26 -2.622 -8.583 -7.220 1.00 0.00 C ATOM 0 H ILE A 26 -4.320 -5.930 -9.113 1.00 0.00 H new ATOM 0 HA ILE A 26 -1.428 -5.638 -9.709 1.00 0.00 H new ATOM 0 HB ILE A 26 -2.917 -8.247 -9.613 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -0.620 -8.296 -7.972 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -1.452 -6.806 -7.577 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -0.738 -9.227 -10.194 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -1.347 -8.145 -11.468 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -0.056 -7.593 -10.375 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -2.291 -8.673 -6.185 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -3.580 -8.063 -7.251 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -2.735 -9.577 -7.652 1.00 0.00 H new ATOM 495 N GLN A 27 -3.322 -4.773 -11.504 1.00 0.00 N ATOM 496 CA GLN A 27 -3.822 -4.433 -12.825 1.00 0.00 C ATOM 497 C GLN A 27 -4.938 -5.397 -13.234 1.00 0.00 C ATOM 498 O GLN A 27 -5.327 -5.443 -14.401 1.00 0.00 O ATOM 499 CB GLN A 27 -2.692 -4.434 -13.857 1.00 0.00 C ATOM 500 CG GLN A 27 -3.175 -3.880 -15.199 1.00 0.00 C ATOM 501 CD GLN A 27 -3.085 -4.943 -16.296 1.00 0.00 C ATOM 502 OE1 GLN A 27 -3.769 -5.953 -16.274 1.00 0.00 O ATOM 503 NE2 GLN A 27 -2.206 -4.660 -17.252 1.00 0.00 N ATOM 0 H GLN A 27 -3.367 -4.015 -10.823 1.00 0.00 H new ATOM 0 HA GLN A 27 -4.234 -3.425 -12.787 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -1.859 -3.834 -13.490 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -2.319 -5.449 -13.992 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -4.205 -3.536 -15.105 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -2.574 -3.014 -15.477 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -1.666 -3.796 -17.209 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -2.072 -5.307 -18.029 1.00 0.00 H new ATOM 512 N ARG A 28 -5.423 -6.141 -12.252 1.00 0.00 N ATOM 513 CA ARG A 28 -6.487 -7.101 -12.494 1.00 0.00 C ATOM 514 C ARG A 28 -5.997 -8.213 -13.422 1.00 0.00 C ATOM 515 O ARG A 28 -6.686 -8.584 -14.371 1.00 0.00 O ATOM 516 CB ARG A 28 -7.708 -6.423 -13.122 1.00 0.00 C ATOM 517 CG ARG A 28 -8.577 -5.762 -12.051 1.00 0.00 C ATOM 518 CD ARG A 28 -10.054 -6.105 -12.257 1.00 0.00 C ATOM 519 NE ARG A 28 -10.864 -5.538 -11.155 1.00 0.00 N ATOM 520 CZ ARG A 28 -12.168 -5.210 -11.266 1.00 0.00 C ATOM 521 NH1 ARG A 28 -12.823 -5.389 -12.432 1.00 0.00 N ATOM 522 NH2 ARG A 28 -12.794 -4.709 -10.216 1.00 0.00 N ATOM 0 H ARG A 28 -5.099 -6.099 -11.286 1.00 0.00 H new ATOM 0 HA ARG A 28 -6.775 -7.526 -11.533 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -7.382 -5.675 -13.844 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -8.296 -7.159 -13.670 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -8.257 -6.093 -11.063 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -8.443 -4.681 -12.084 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -10.398 -5.710 -13.213 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -10.183 -7.187 -12.295 1.00 0.00 H new ATOM 0 HE ARG A 28 -10.408 -5.386 -10.256 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -12.332 -5.775 -13.239 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -13.809 -5.138 -12.507 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -12.292 -4.575 -9.338 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -13.780 -4.456 -10.283 1.00 0.00 H new ATOM 535 N MET A 29 -4.809 -8.716 -13.116 1.00 0.00 N ATOM 536 CA MET A 29 -4.219 -9.779 -13.911 1.00 0.00 C ATOM 537 C MET A 29 -3.885 -10.992 -13.042 1.00 0.00 C ATOM 538 O MET A 29 -4.055 -12.133 -13.470 1.00 0.00 O ATOM 539 CB MET A 29 -2.943 -9.265 -14.583 1.00 0.00 C ATOM 540 CG MET A 29 -1.757 -9.315 -13.618 1.00 0.00 C ATOM 541 SD MET A 29 -0.356 -8.467 -14.328 1.00 0.00 S ATOM 542 CE MET A 29 0.487 -9.844 -15.090 1.00 0.00 C ATOM 0 H MET A 29 -4.240 -8.406 -12.328 1.00 0.00 H new ATOM 0 HA MET A 29 -4.941 -10.086 -14.668 1.00 0.00 H new ATOM 0 HB2 MET A 29 -2.724 -9.867 -15.465 1.00 0.00 H new ATOM 0 HB3 MET A 29 -3.095 -8.241 -14.925 1.00 0.00 H new ATOM 0 HG2 MET A 29 -2.030 -8.853 -12.669 1.00 0.00 H new ATOM 0 HG3 MET A 29 -1.495 -10.351 -13.404 1.00 0.00 H new ATOM 0 HE1 MET A 29 1.392 -9.489 -15.583 1.00 0.00 H new ATOM 0 HE2 MET A 29 0.753 -10.576 -14.327 1.00 0.00 H new ATOM 0 HE3 MET A 29 -0.168 -10.309 -15.826 1.00 0.00 H new ATOM 552 N HIS A 30 -3.415 -10.706 -11.837 1.00 0.00 N ATOM 553 CA HIS A 30 -3.057 -11.760 -10.904 1.00 0.00 C ATOM 554 C HIS A 30 -3.964 -11.687 -9.673 1.00 0.00 C ATOM 555 O HIS A 30 -3.760 -12.415 -8.703 1.00 0.00 O ATOM 556 CB HIS A 30 -1.570 -11.690 -10.550 1.00 0.00 C ATOM 557 CG HIS A 30 -0.907 -13.039 -10.409 1.00 0.00 C ATOM 558 ND1 HIS A 30 -1.552 -14.140 -9.873 1.00 0.00 N ATOM 559 CD2 HIS A 30 0.349 -13.454 -10.743 1.00 0.00 C ATOM 560 CE1 HIS A 30 -0.713 -15.165 -9.887 1.00 0.00 C ATOM 561 NE2 HIS A 30 0.465 -14.738 -10.425 1.00 0.00 N ATOM 0 H HIS A 30 -3.274 -9.759 -11.485 1.00 0.00 H new ATOM 0 HA HIS A 30 -3.215 -12.732 -11.371 1.00 0.00 H new ATOM 0 HB2 HIS A 30 -1.050 -11.120 -11.320 1.00 0.00 H new ATOM 0 HB3 HIS A 30 -1.455 -11.141 -9.615 1.00 0.00 H new ATOM 0 HD1 HIS A 30 -2.511 -14.159 -9.526 1.00 0.00 H new ATOM 0 HD2 HIS A 30 1.118 -12.842 -11.190 1.00 0.00 H new ATOM 0 HE1 HIS A 30 -0.925 -16.164 -9.534 1.00 0.00 H new ATOM 569 N LEU A 31 -4.945 -10.801 -9.753 1.00 0.00 N ATOM 570 CA LEU A 31 -5.883 -10.623 -8.658 1.00 0.00 C ATOM 571 C LEU A 31 -6.637 -11.933 -8.420 1.00 0.00 C ATOM 572 O LEU A 31 -6.224 -12.987 -8.901 1.00 0.00 O ATOM 573 CB LEU A 31 -6.800 -9.427 -8.926 1.00 0.00 C ATOM 574 CG LEU A 31 -6.566 -8.195 -8.050 1.00 0.00 C ATOM 575 CD1 LEU A 31 -6.659 -6.910 -8.877 1.00 0.00 C ATOM 576 CD2 LEU A 31 -7.525 -8.179 -6.858 1.00 0.00 C ATOM 0 H LEU A 31 -5.111 -10.198 -10.559 1.00 0.00 H new ATOM 0 HA LEU A 31 -5.351 -10.388 -7.736 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -6.686 -9.134 -9.970 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -7.833 -9.750 -8.796 1.00 0.00 H new ATOM 0 HG LEU A 31 -5.554 -8.248 -7.648 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -6.489 -6.049 -8.231 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -5.905 -6.928 -9.664 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -7.650 -6.837 -9.326 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -7.337 -7.293 -6.252 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -8.553 -8.161 -7.219 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -7.369 -9.072 -6.253 1.00 0.00 H new ATOM 588 N ARG A 32 -7.729 -11.824 -7.678 1.00 0.00 N ATOM 589 CA ARG A 32 -8.544 -12.986 -7.370 1.00 0.00 C ATOM 590 C ARG A 32 -9.508 -13.279 -8.522 1.00 0.00 C ATOM 591 O ARG A 32 -9.460 -14.355 -9.117 1.00 0.00 O ATOM 592 CB ARG A 32 -9.346 -12.772 -6.084 1.00 0.00 C ATOM 593 CG ARG A 32 -9.873 -14.101 -5.539 1.00 0.00 C ATOM 594 CD ARG A 32 -8.756 -14.897 -4.859 1.00 0.00 C ATOM 595 NE ARG A 32 -8.713 -14.574 -3.416 1.00 0.00 N ATOM 596 CZ ARG A 32 -8.005 -15.275 -2.505 1.00 0.00 C ATOM 597 NH1 ARG A 32 -7.274 -16.346 -2.881 1.00 0.00 N ATOM 598 NH2 ARG A 32 -8.038 -14.898 -1.240 1.00 0.00 N ATOM 0 H ARG A 32 -8.068 -10.948 -7.281 1.00 0.00 H new ATOM 0 HA ARG A 32 -7.873 -13.833 -7.229 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -8.717 -12.291 -5.335 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -10.180 -12.098 -6.279 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -10.676 -13.913 -4.826 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -10.300 -14.688 -6.352 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -8.924 -15.965 -4.996 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -7.797 -14.663 -5.322 1.00 0.00 H new ATOM 0 HE ARG A 32 -9.252 -13.772 -3.089 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -7.254 -16.631 -3.860 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -6.742 -16.870 -2.186 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -8.593 -14.088 -0.964 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -7.509 -15.417 -0.539 1.00 0.00 H new ATOM 611 N GLN A 33 -10.359 -12.304 -8.801 1.00 0.00 N ATOM 612 CA GLN A 33 -11.333 -12.444 -9.870 1.00 0.00 C ATOM 613 C GLN A 33 -11.906 -13.862 -9.884 1.00 0.00 C ATOM 614 O GLN A 33 -11.799 -14.570 -10.884 1.00 0.00 O ATOM 615 CB GLN A 33 -10.714 -12.090 -11.224 1.00 0.00 C ATOM 616 CG GLN A 33 -11.708 -11.319 -12.097 1.00 0.00 C ATOM 617 CD GLN A 33 -12.129 -10.011 -11.424 1.00 0.00 C ATOM 618 OE1 GLN A 33 -13.301 -9.727 -11.241 1.00 0.00 O ATOM 619 NE2 GLN A 33 -11.111 -9.235 -11.067 1.00 0.00 N ATOM 0 H GLN A 33 -10.395 -11.413 -8.305 1.00 0.00 H new ATOM 0 HA GLN A 33 -12.149 -11.745 -9.686 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -9.817 -11.490 -11.072 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -10.405 -13.001 -11.736 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -11.257 -11.105 -13.066 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -12.587 -11.935 -12.284 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -10.153 -9.534 -11.250 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -11.287 -8.340 -10.610 1.00 0.00 H new ATOM 628 N TYR A 34 -12.505 -14.234 -8.762 1.00 0.00 N ATOM 629 CA TYR A 34 -13.096 -15.555 -8.633 1.00 0.00 C ATOM 630 C TYR A 34 -14.538 -15.564 -9.146 1.00 0.00 C ATOM 631 O TYR A 34 -15.411 -16.186 -8.545 1.00 0.00 O ATOM 632 CB TYR A 34 -13.100 -15.871 -7.136 1.00 0.00 C ATOM 633 CG TYR A 34 -14.299 -15.294 -6.380 1.00 0.00 C ATOM 634 CD1 TYR A 34 -14.901 -14.135 -6.825 1.00 0.00 C ATOM 635 CD2 TYR A 34 -14.778 -15.933 -5.254 1.00 0.00 C ATOM 636 CE1 TYR A 34 -16.030 -13.592 -6.114 1.00 0.00 C ATOM 637 CE2 TYR A 34 -15.906 -15.389 -4.543 1.00 0.00 C ATOM 638 CZ TYR A 34 -16.476 -14.246 -5.009 1.00 0.00 C ATOM 639 OH TYR A 34 -17.543 -13.733 -4.337 1.00 0.00 O ATOM 0 H TYR A 34 -12.594 -13.644 -7.935 1.00 0.00 H new ATOM 0 HA TYR A 34 -12.532 -16.285 -9.214 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -13.087 -16.953 -7.004 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -12.183 -15.484 -6.691 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -14.526 -13.635 -7.706 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -14.307 -16.841 -4.906 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -16.511 -12.686 -6.451 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -16.290 -15.878 -3.660 1.00 0.00 H new ATOM 0 HH TYR A 34 -17.752 -14.305 -3.569 1.00 0.00 H new