USER MOD reduce.3.24.130724 H: found=0, std=0, add=131, rem=0, adj=1 USER MOD reduce.3.24.130724 removed 132 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 : B 4 THR OG1 : rot -24:sc= 0.0582 USER MOD Single : B 7 HIS : no HD1:sc= -1.01 K(o=-1,f=-0.22) USER MOD Single : B 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 535 N THR B 4 2.526 3.124 4.594 1.00 0.00 N ATOM 536 CA THR B 4 1.407 4.038 4.828 1.00 0.00 C ATOM 537 C THR B 4 1.246 5.103 3.758 1.00 0.00 C ATOM 538 O THR B 4 0.115 5.357 3.349 1.00 0.00 O ATOM 539 CB THR B 4 1.356 4.700 6.223 1.00 0.00 C ATOM 540 OG1 THR B 4 2.622 5.221 6.626 1.00 0.00 O ATOM 541 CG2 THR B 4 0.809 3.699 7.276 1.00 0.00 C ATOM 0 HA THR B 4 0.560 3.354 4.776 1.00 0.00 H new ATOM 0 HB THR B 4 0.676 5.549 6.154 1.00 0.00 H new ATOM 0 HG1 THR B 4 3.337 4.746 6.153 1.00 0.00 H new ATOM 0 HG21 THR B 4 0.779 4.180 8.254 1.00 0.00 H new ATOM 0 HG22 THR B 4 -0.197 3.387 6.994 1.00 0.00 H new ATOM 0 HG23 THR B 4 1.460 2.826 7.321 1.00 0.00 H new ATOM 549 N ARG B 5 2.353 5.733 3.279 1.00 0.00 N ATOM 550 CA ARG B 5 2.397 6.767 2.251 1.00 0.00 C ATOM 551 C ARG B 5 1.703 6.286 0.972 1.00 0.00 C ATOM 552 O ARG B 5 0.772 6.957 0.516 1.00 0.00 O ATOM 553 CB ARG B 5 3.856 7.274 2.024 1.00 0.00 C ATOM 554 CG ARG B 5 4.435 8.228 3.109 1.00 0.00 C ATOM 555 CD ARG B 5 4.509 7.664 4.547 1.00 0.00 C ATOM 556 NE ARG B 5 5.269 8.620 5.427 1.00 0.00 N ATOM 557 CZ ARG B 5 5.698 8.349 6.702 1.00 0.00 C ATOM 558 NH1 ARG B 5 5.279 7.260 7.416 1.00 0.00 N ATOM 559 NH2 ARG B 5 6.584 9.213 7.285 1.00 0.00 N ATOM 0 H ARG B 5 3.283 5.508 3.631 1.00 0.00 H new ATOM 0 HA ARG B 5 1.835 7.636 2.594 1.00 0.00 H new ATOM 0 HB2 ARG B 5 4.511 6.406 1.948 1.00 0.00 H new ATOM 0 HB3 ARG B 5 3.894 7.787 1.063 1.00 0.00 H new ATOM 0 HG2 ARG B 5 5.439 8.523 2.805 1.00 0.00 H new ATOM 0 HG3 ARG B 5 3.829 9.134 3.127 1.00 0.00 H new ATOM 0 HD2 ARG B 5 3.504 7.512 4.941 1.00 0.00 H new ATOM 0 HD3 ARG B 5 5.000 6.691 4.542 1.00 0.00 H new ATOM 0 HE ARG B 5 5.482 9.542 5.046 1.00 0.00 H new ATOM 0 HH11 ARG B 5 4.617 6.603 7.003 1.00 0.00 H new ATOM 0 HH12 ARG B 5 5.629 7.104 8.361 1.00 0.00 H new ATOM 0 HH21 ARG B 5 6.908 10.033 6.773 1.00 0.00 H new ATOM 0 HH22 ARG B 5 6.920 9.037 8.232 1.00 0.00 H new ATOM 573 N ARG B 6 2.087 5.087 0.419 1.00 0.00 N ATOM 574 CA ARG B 6 1.464 4.436 -0.730 1.00 0.00 C ATOM 575 C ARG B 6 0.009 4.075 -0.377 1.00 0.00 C ATOM 576 O ARG B 6 -0.897 4.465 -1.121 1.00 0.00 O ATOM 577 CB ARG B 6 2.272 3.197 -1.246 1.00 0.00 C ATOM 578 CG ARG B 6 1.568 2.325 -2.323 1.00 0.00 C ATOM 579 CD ARG B 6 2.418 1.178 -2.890 1.00 0.00 C ATOM 580 NE ARG B 6 1.530 0.054 -3.362 1.00 0.00 N ATOM 581 CZ ARG B 6 0.962 -0.086 -4.602 1.00 0.00 C ATOM 582 NH1 ARG B 6 0.870 0.952 -5.486 1.00 0.00 N ATOM 583 NH2 ARG B 6 0.447 -1.306 -4.949 1.00 0.00 N ATOM 0 H ARG B 6 2.869 4.549 0.793 1.00 0.00 H new ATOM 0 HA ARG B 6 1.467 5.139 -1.563 1.00 0.00 H new ATOM 0 HB2 ARG B 6 3.219 3.550 -1.655 1.00 0.00 H new ATOM 0 HB3 ARG B 6 2.510 2.563 -0.392 1.00 0.00 H new ATOM 0 HG2 ARG B 6 0.660 1.904 -1.891 1.00 0.00 H new ATOM 0 HG3 ARG B 6 1.260 2.970 -3.146 1.00 0.00 H new ATOM 0 HD2 ARG B 6 3.027 1.542 -3.718 1.00 0.00 H new ATOM 0 HD3 ARG B 6 3.104 0.812 -2.126 1.00 0.00 H new ATOM 0 HE ARG B 6 1.330 -0.682 -2.685 1.00 0.00 H new ATOM 0 HH11 ARG B 6 1.231 1.872 -5.232 1.00 0.00 H new ATOM 0 HH12 ARG B 6 0.440 0.807 -6.400 1.00 0.00 H new ATOM 0 HH21 ARG B 6 0.491 -2.084 -4.291 1.00 0.00 H new ATOM 0 HH22 ARG B 6 0.019 -1.437 -5.866 1.00 0.00 H new ATOM 597 N HIS B 7 -0.227 3.334 0.763 1.00 0.00 N ATOM 598 CA HIS B 7 -1.505 2.893 1.303 1.00 0.00 C ATOM 599 C HIS B 7 -2.565 3.986 1.261 1.00 0.00 C ATOM 600 O HIS B 7 -3.587 3.749 0.641 1.00 0.00 O ATOM 601 CB HIS B 7 -1.399 2.294 2.739 1.00 0.00 C ATOM 602 CG HIS B 7 -2.707 1.858 3.356 1.00 0.00 C ATOM 603 ND1 HIS B 7 -3.072 0.552 3.517 1.00 0.00 N ATOM 604 CD2 HIS B 7 -3.724 2.611 3.838 1.00 0.00 C ATOM 605 CE1 HIS B 7 -4.274 0.518 4.075 1.00 0.00 C ATOM 606 NE2 HIS B 7 -4.686 1.754 4.291 1.00 0.00 N ATOM 0 H HIS B 7 0.548 3.023 1.348 1.00 0.00 H new ATOM 0 HA HIS B 7 -1.822 2.087 0.641 1.00 0.00 H new ATOM 0 HB2 HIS B 7 -0.727 1.436 2.708 1.00 0.00 H new ATOM 0 HB3 HIS B 7 -0.938 3.036 3.391 1.00 0.00 H new ATOM 0 HD2 HIS B 7 -3.767 3.690 3.860 1.00 0.00 H new ATOM 0 HE1 HIS B 7 -4.828 -0.378 4.315 1.00 0.00 H new ATOM 0 HE2 HIS B 7 -5.571 2.022 4.722 1.00 0.00 H new ATOM 615 N GLU B 8 -2.353 5.185 1.886 1.00 0.00 N ATOM 616 CA GLU B 8 -3.232 6.355 1.956 1.00 0.00 C ATOM 617 C GLU B 8 -4.027 6.618 0.668 1.00 0.00 C ATOM 618 O GLU B 8 -5.259 6.559 0.711 1.00 0.00 O ATOM 619 CB GLU B 8 -2.457 7.638 2.418 1.00 0.00 C ATOM 620 CG GLU B 8 -2.171 7.717 3.941 1.00 0.00 C ATOM 621 CD GLU B 8 -1.230 8.883 4.262 1.00 0.00 C ATOM 622 OE1 GLU B 8 -1.669 10.059 4.155 1.00 0.00 O ATOM 623 OE2 GLU B 8 -0.056 8.605 4.632 1.00 0.00 O ATOM 0 H GLU B 8 -1.483 5.353 2.391 1.00 0.00 H new ATOM 0 HA GLU B 8 -3.973 6.110 2.717 1.00 0.00 H new ATOM 0 HB2 GLU B 8 -1.509 7.684 1.882 1.00 0.00 H new ATOM 0 HB3 GLU B 8 -3.032 8.517 2.125 1.00 0.00 H new ATOM 0 HG2 GLU B 8 -3.108 7.840 4.485 1.00 0.00 H new ATOM 0 HG3 GLU B 8 -1.726 6.782 4.280 1.00 0.00 H new ATOM 630 N ARG B 9 -3.354 6.880 -0.500 1.00 0.00 N ATOM 631 CA ARG B 9 -3.981 7.125 -1.804 1.00 0.00 C ATOM 632 C ARG B 9 -4.735 5.890 -2.311 1.00 0.00 C ATOM 633 O ARG B 9 -5.924 5.992 -2.619 1.00 0.00 O ATOM 634 CB ARG B 9 -3.016 7.619 -2.935 1.00 0.00 C ATOM 635 CG ARG B 9 -2.271 8.964 -2.712 1.00 0.00 C ATOM 636 CD ARG B 9 -1.006 8.935 -1.824 1.00 0.00 C ATOM 637 NE ARG B 9 0.066 8.086 -2.479 1.00 0.00 N ATOM 638 CZ ARG B 9 1.422 8.261 -2.354 1.00 0.00 C ATOM 639 NH1 ARG B 9 1.974 9.266 -1.615 1.00 0.00 N ATOM 640 NH2 ARG B 9 2.255 7.382 -2.992 1.00 0.00 N ATOM 0 H ARG B 9 -2.336 6.923 -0.540 1.00 0.00 H new ATOM 0 HA ARG B 9 -4.669 7.945 -1.599 1.00 0.00 H new ATOM 0 HB2 ARG B 9 -2.267 6.844 -3.099 1.00 0.00 H new ATOM 0 HB3 ARG B 9 -3.594 7.704 -3.855 1.00 0.00 H new ATOM 0 HG2 ARG B 9 -1.989 9.359 -3.688 1.00 0.00 H new ATOM 0 HG3 ARG B 9 -2.975 9.671 -2.273 1.00 0.00 H new ATOM 0 HD2 ARG B 9 -0.636 9.949 -1.670 1.00 0.00 H new ATOM 0 HD3 ARG B 9 -1.250 8.533 -0.841 1.00 0.00 H new ATOM 0 HE ARG B 9 -0.249 7.314 -3.066 1.00 0.00 H new ATOM 0 HH11 ARG B 9 1.373 9.928 -1.125 1.00 0.00 H new ATOM 0 HH12 ARG B 9 2.988 9.355 -1.552 1.00 0.00 H new ATOM 0 HH21 ARG B 9 1.864 6.619 -3.545 1.00 0.00 H new ATOM 0 HH22 ARG B 9 3.266 7.490 -2.915 1.00 0.00 H new ATOM 654 N ARG B 10 -4.064 4.698 -2.385 1.00 0.00 N ATOM 655 CA ARG B 10 -4.579 3.399 -2.813 1.00 0.00 C ATOM 656 C ARG B 10 -5.860 3.011 -2.056 1.00 0.00 C ATOM 657 O ARG B 10 -6.834 2.624 -2.696 1.00 0.00 O ATOM 658 CB ARG B 10 -3.437 2.339 -2.659 1.00 0.00 C ATOM 659 CG ARG B 10 -3.695 0.873 -3.089 1.00 0.00 C ATOM 660 CD ARG B 10 -2.405 0.016 -3.010 1.00 0.00 C ATOM 661 NE ARG B 10 -2.624 -1.445 -3.338 1.00 0.00 N ATOM 662 CZ ARG B 10 -2.812 -1.982 -4.587 1.00 0.00 C ATOM 663 NH1 ARG B 10 -3.168 -1.246 -5.679 1.00 0.00 N ATOM 664 NH2 ARG B 10 -2.604 -3.325 -4.735 1.00 0.00 N ATOM 0 H ARG B 10 -3.080 4.639 -2.124 1.00 0.00 H new ATOM 0 HA ARG B 10 -4.874 3.447 -3.861 1.00 0.00 H new ATOM 0 HB2 ARG B 10 -2.578 2.699 -3.225 1.00 0.00 H new ATOM 0 HB3 ARG B 10 -3.144 2.325 -1.609 1.00 0.00 H new ATOM 0 HG2 ARG B 10 -4.462 0.436 -2.449 1.00 0.00 H new ATOM 0 HG3 ARG B 10 -4.082 0.855 -4.108 1.00 0.00 H new ATOM 0 HD2 ARG B 10 -1.664 0.426 -3.696 1.00 0.00 H new ATOM 0 HD3 ARG B 10 -1.988 0.095 -2.006 1.00 0.00 H new ATOM 0 HE ARG B 10 -2.633 -2.096 -2.552 1.00 0.00 H new ATOM 0 HH11 ARG B 10 -3.309 -0.240 -5.592 1.00 0.00 H new ATOM 0 HH12 ARG B 10 -3.293 -1.702 -6.583 1.00 0.00 H new ATOM 0 HH21 ARG B 10 -2.320 -3.888 -3.934 1.00 0.00 H new ATOM 0 HH22 ARG B 10 -2.733 -3.764 -5.647 1.00 0.00 H new ATOM 678 N ARG B 11 -5.887 3.153 -0.693 1.00 0.00 N ATOM 679 CA ARG B 11 -6.951 2.943 0.274 1.00 0.00 C ATOM 680 C ARG B 11 -8.200 3.656 -0.195 1.00 0.00 C ATOM 681 O ARG B 11 -9.188 2.968 -0.427 1.00 0.00 O ATOM 682 CB ARG B 11 -6.514 3.368 1.700 1.00 0.00 C ATOM 683 CG ARG B 11 -7.509 3.080 2.839 1.00 0.00 C ATOM 684 CD ARG B 11 -7.418 4.085 3.989 1.00 0.00 C ATOM 685 NE ARG B 11 -8.360 3.648 5.089 1.00 0.00 N ATOM 686 CZ ARG B 11 -8.009 3.308 6.372 1.00 0.00 C ATOM 687 NH1 ARG B 11 -6.726 3.368 6.836 1.00 0.00 N ATOM 688 NH2 ARG B 11 -8.994 2.888 7.224 1.00 0.00 N ATOM 0 H ARG B 11 -5.040 3.458 -0.213 1.00 0.00 H new ATOM 0 HA ARG B 11 -7.176 1.879 0.341 1.00 0.00 H new ATOM 0 HB2 ARG B 11 -5.575 2.866 1.933 1.00 0.00 H new ATOM 0 HB3 ARG B 11 -6.309 4.438 1.689 1.00 0.00 H new ATOM 0 HG2 ARG B 11 -8.522 3.088 2.438 1.00 0.00 H new ATOM 0 HG3 ARG B 11 -7.327 2.077 3.226 1.00 0.00 H new ATOM 0 HD2 ARG B 11 -6.396 4.138 4.365 1.00 0.00 H new ATOM 0 HD3 ARG B 11 -7.681 5.084 3.640 1.00 0.00 H new ATOM 0 HE ARG B 11 -9.352 3.601 4.855 1.00 0.00 H new ATOM 0 HH11 ARG B 11 -5.975 3.677 6.219 1.00 0.00 H new ATOM 0 HH12 ARG B 11 -6.519 3.104 7.799 1.00 0.00 H new ATOM 0 HH21 ARG B 11 -9.960 2.834 6.900 1.00 0.00 H new ATOM 0 HH22 ARG B 11 -8.763 2.629 8.183 1.00 0.00 H new ATOM 702 N LYS B 12 -8.177 5.018 -0.378 1.00 0.00 N ATOM 703 CA LYS B 12 -9.270 5.862 -0.865 1.00 0.00 C ATOM 704 C LYS B 12 -10.004 5.206 -2.039 1.00 0.00 C ATOM 705 O LYS B 12 -11.212 4.982 -1.946 1.00 0.00 O ATOM 706 CB LYS B 12 -8.817 7.317 -1.229 1.00 0.00 C ATOM 707 CG LYS B 12 -8.314 8.170 -0.037 1.00 0.00 C ATOM 708 CD LYS B 12 -7.737 9.551 -0.435 1.00 0.00 C ATOM 709 CE LYS B 12 -7.135 10.382 0.720 1.00 0.00 C ATOM 710 NZ LYS B 12 -5.873 9.795 1.242 1.00 0.00 N ATOM 0 H LYS B 12 -7.340 5.564 -0.172 1.00 0.00 H new ATOM 0 HA LYS B 12 -9.966 5.957 -0.032 1.00 0.00 H new ATOM 0 HB2 LYS B 12 -8.023 7.257 -1.973 1.00 0.00 H new ATOM 0 HB3 LYS B 12 -9.654 7.834 -1.697 1.00 0.00 H new ATOM 0 HG2 LYS B 12 -9.139 8.322 0.659 1.00 0.00 H new ATOM 0 HG3 LYS B 12 -7.546 7.609 0.496 1.00 0.00 H new ATOM 0 HD2 LYS B 12 -6.965 9.398 -1.189 1.00 0.00 H new ATOM 0 HD3 LYS B 12 -8.530 10.134 -0.904 1.00 0.00 H new ATOM 0 HE2 LYS B 12 -6.944 11.397 0.372 1.00 0.00 H new ATOM 0 HE3 LYS B 12 -7.861 10.454 1.530 1.00 0.00 H new ATOM 0 HZ1 LYS B 12 -5.508 10.388 2.015 1.00 0.00 H new ATOM 0 HZ2 LYS B 12 -6.058 8.836 1.599 1.00 0.00 H new ATOM 0 HZ3 LYS B 12 -5.169 9.750 0.478 1.00 0.00 H new ATOM 724 N LEU B 13 -9.269 4.834 -3.131 1.00 0.00 N ATOM 725 CA LEU B 13 -9.773 4.154 -4.317 1.00 0.00 C ATOM 726 C LEU B 13 -10.319 2.774 -4.033 1.00 0.00 C ATOM 727 O LEU B 13 -11.473 2.527 -4.374 1.00 0.00 O ATOM 728 CB LEU B 13 -8.818 4.134 -5.524 1.00 0.00 C ATOM 729 CG LEU B 13 -8.517 5.542 -6.126 1.00 0.00 C ATOM 730 CD1 LEU B 13 -9.711 6.556 -6.140 1.00 0.00 C ATOM 731 CD2 LEU B 13 -7.200 6.141 -5.565 1.00 0.00 C ATOM 0 H LEU B 13 -8.267 5.018 -3.189 1.00 0.00 H new ATOM 0 HA LEU B 13 -10.607 4.788 -4.617 1.00 0.00 H new ATOM 0 HB2 LEU B 13 -7.878 3.672 -5.222 1.00 0.00 H new ATOM 0 HB3 LEU B 13 -9.247 3.503 -6.302 1.00 0.00 H new ATOM 0 HG LEU B 13 -8.364 5.353 -7.189 1.00 0.00 H new ATOM 0 HD11 LEU B 13 -9.383 7.498 -6.580 1.00 0.00 H new ATOM 0 HD12 LEU B 13 -10.530 6.145 -6.730 1.00 0.00 H new ATOM 0 HD13 LEU B 13 -10.051 6.731 -5.119 1.00 0.00 H new ATOM 0 HD21 LEU B 13 -7.028 7.121 -6.010 1.00 0.00 H new ATOM 0 HD22 LEU B 13 -7.278 6.242 -4.483 1.00 0.00 H new ATOM 0 HD23 LEU B 13 -6.367 5.481 -5.808 1.00 0.00 H new ATOM 743 N ALA B 14 -9.519 1.879 -3.381 1.00 0.00 N ATOM 744 CA ALA B 14 -9.838 0.523 -2.961 1.00 0.00 C ATOM 745 C ALA B 14 -11.158 0.457 -2.237 1.00 0.00 C ATOM 746 O ALA B 14 -11.991 -0.384 -2.591 1.00 0.00 O ATOM 747 CB ALA B 14 -8.773 -0.084 -2.036 1.00 0.00 C ATOM 0 H ALA B 14 -8.564 2.129 -3.126 1.00 0.00 H new ATOM 0 HA ALA B 14 -9.881 -0.051 -3.886 1.00 0.00 H new ATOM 0 HB1 ALA B 14 -9.067 -1.096 -1.757 1.00 0.00 H new ATOM 0 HB2 ALA B 14 -7.815 -0.115 -2.555 1.00 0.00 H new ATOM 0 HB3 ALA B 14 -8.680 0.527 -1.138 1.00 0.00 H new ATOM 753 N ILE B 15 -11.385 1.380 -1.239 1.00 0.00 N ATOM 754 CA ILE B 15 -12.627 1.471 -0.512 1.00 0.00 C ATOM 755 C ILE B 15 -13.731 1.800 -1.517 1.00 0.00 C ATOM 756 O ILE B 15 -14.685 1.030 -1.630 1.00 0.00 O ATOM 757 CB ILE B 15 -12.791 2.387 0.727 1.00 0.00 C ATOM 758 CG1 ILE B 15 -11.590 2.499 1.715 1.00 0.00 C ATOM 759 CG2 ILE B 15 -14.041 1.837 1.462 1.00 0.00 C ATOM 760 CD1 ILE B 15 -11.146 3.945 1.870 1.00 0.00 C ATOM 0 H ILE B 15 -10.688 2.064 -0.945 1.00 0.00 H new ATOM 0 HA ILE B 15 -12.671 0.492 -0.035 1.00 0.00 H new ATOM 0 HB ILE B 15 -12.873 3.412 0.366 1.00 0.00 H new ATOM 0 HG12 ILE B 15 -11.875 2.096 2.687 1.00 0.00 H new ATOM 0 HG13 ILE B 15 -10.758 1.896 1.352 1.00 0.00 H new ATOM 0 HG21 ILE B 15 -14.229 2.432 2.356 1.00 0.00 H new ATOM 0 HG22 ILE B 15 -14.906 1.893 0.801 1.00 0.00 H new ATOM 0 HG23 ILE B 15 -13.868 0.799 1.747 1.00 0.00 H new ATOM 0 HD11 ILE B 15 -10.307 3.996 2.564 1.00 0.00 H new ATOM 0 HD12 ILE B 15 -10.839 4.337 0.901 1.00 0.00 H new ATOM 0 HD13 ILE B 15 -11.973 4.540 2.257 1.00 0.00 H new ATOM 772 N GLU B 16 -13.605 2.952 -2.248 1.00 0.00 N ATOM 773 CA GLU B 16 -14.558 3.443 -3.223 1.00 0.00 C ATOM 774 C GLU B 16 -14.920 2.464 -4.381 1.00 0.00 C ATOM 775 O GLU B 16 -15.896 2.711 -5.096 1.00 0.00 O ATOM 776 CB GLU B 16 -14.127 4.829 -3.835 1.00 0.00 C ATOM 777 CG GLU B 16 -14.194 6.046 -2.871 1.00 0.00 C ATOM 778 CD GLU B 16 -15.630 6.396 -2.454 1.00 0.00 C ATOM 779 OE1 GLU B 16 -16.438 6.789 -3.337 1.00 0.00 O ATOM 780 OE2 GLU B 16 -15.928 6.289 -1.234 1.00 0.00 O ATOM 0 H GLU B 16 -12.797 3.566 -2.149 1.00 0.00 H new ATOM 0 HA GLU B 16 -15.465 3.556 -2.628 1.00 0.00 H new ATOM 0 HB2 GLU B 16 -13.106 4.739 -4.205 1.00 0.00 H new ATOM 0 HB3 GLU B 16 -14.761 5.037 -4.697 1.00 0.00 H new ATOM 0 HG2 GLU B 16 -13.604 5.831 -1.980 1.00 0.00 H new ATOM 0 HG3 GLU B 16 -13.739 6.911 -3.353 1.00 0.00 H new