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 -20:sc= 0.0431 USER MOD Single : B 7 HIS : no HD1:sc= -1.18 K(o=-1.2,f=-0.41) USER MOD Single : B 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 535 N THR B 4 2.664 3.282 4.926 1.00 0.00 N ATOM 536 CA THR B 4 1.594 4.242 5.240 1.00 0.00 C ATOM 537 C THR B 4 1.507 5.401 4.257 1.00 0.00 C ATOM 538 O THR B 4 0.399 5.724 3.827 1.00 0.00 O ATOM 539 CB THR B 4 1.536 4.759 6.693 1.00 0.00 C ATOM 540 OG1 THR B 4 2.814 5.155 7.184 1.00 0.00 O ATOM 541 CG2 THR B 4 0.903 3.688 7.621 1.00 0.00 C ATOM 0 HA THR B 4 0.707 3.619 5.125 1.00 0.00 H new ATOM 0 HB THR B 4 0.908 5.650 6.692 1.00 0.00 H new ATOM 0 HG1 THR B 4 3.516 4.739 6.642 1.00 0.00 H new ATOM 0 HG21 THR B 4 0.869 4.066 8.643 1.00 0.00 H new ATOM 0 HG22 THR B 4 -0.109 3.465 7.282 1.00 0.00 H new ATOM 0 HG23 THR B 4 1.504 2.779 7.591 1.00 0.00 H new ATOM 549 N ARG B 5 2.657 6.022 3.857 1.00 0.00 N ATOM 550 CA ARG B 5 2.759 7.106 2.883 1.00 0.00 C ATOM 551 C ARG B 5 2.106 6.694 1.545 1.00 0.00 C ATOM 552 O ARG B 5 1.330 7.472 0.984 1.00 0.00 O ATOM 553 CB ARG B 5 4.253 7.539 2.732 1.00 0.00 C ATOM 554 CG ARG B 5 4.571 8.696 1.756 1.00 0.00 C ATOM 555 CD ARG B 5 4.097 10.102 2.149 1.00 0.00 C ATOM 556 NE ARG B 5 4.513 11.027 1.030 1.00 0.00 N ATOM 557 CZ ARG B 5 4.165 12.349 0.913 1.00 0.00 C ATOM 558 NH1 ARG B 5 3.411 13.003 1.847 1.00 0.00 N ATOM 559 NH2 ARG B 5 4.591 13.039 -0.188 1.00 0.00 N ATOM 0 H ARG B 5 3.567 5.754 4.233 1.00 0.00 H new ATOM 0 HA ARG B 5 2.207 7.977 3.236 1.00 0.00 H new ATOM 0 HB2 ARG B 5 4.622 7.821 3.718 1.00 0.00 H new ATOM 0 HB3 ARG B 5 4.825 6.667 2.416 1.00 0.00 H new ATOM 0 HG2 ARG B 5 5.651 8.732 1.616 1.00 0.00 H new ATOM 0 HG3 ARG B 5 4.133 8.451 0.789 1.00 0.00 H new ATOM 0 HD2 ARG B 5 3.016 10.122 2.286 1.00 0.00 H new ATOM 0 HD3 ARG B 5 4.544 10.411 3.094 1.00 0.00 H new ATOM 0 HE ARG B 5 5.104 10.635 0.297 1.00 0.00 H new ATOM 0 HH11 ARG B 5 3.082 12.507 2.675 1.00 0.00 H new ATOM 0 HH12 ARG B 5 3.178 13.987 1.716 1.00 0.00 H new ATOM 0 HH21 ARG B 5 5.153 12.570 -0.898 1.00 0.00 H new ATOM 0 HH22 ARG B 5 4.346 14.023 -0.299 1.00 0.00 H new ATOM 573 N ARG B 6 2.374 5.441 1.057 1.00 0.00 N ATOM 574 CA ARG B 6 1.804 4.807 -0.122 1.00 0.00 C ATOM 575 C ARG B 6 0.313 4.548 0.154 1.00 0.00 C ATOM 576 O ARG B 6 -0.536 5.057 -0.584 1.00 0.00 O ATOM 577 CB ARG B 6 2.562 3.481 -0.474 1.00 0.00 C ATOM 578 CG ARG B 6 1.854 2.513 -1.457 1.00 0.00 C ATOM 579 CD ARG B 6 2.532 1.144 -1.581 1.00 0.00 C ATOM 580 NE ARG B 6 1.587 0.139 -2.190 1.00 0.00 N ATOM 581 CZ ARG B 6 1.299 0.005 -3.526 1.00 0.00 C ATOM 582 NH1 ARG B 6 1.683 0.930 -4.452 1.00 0.00 N ATOM 583 NH2 ARG B 6 0.625 -1.109 -3.946 1.00 0.00 N ATOM 0 H ARG B 6 3.041 4.828 1.526 1.00 0.00 H new ATOM 0 HA ARG B 6 1.910 5.461 -0.987 1.00 0.00 H new ATOM 0 HB2 ARG B 6 3.532 3.745 -0.896 1.00 0.00 H new ATOM 0 HB3 ARG B 6 2.754 2.943 0.454 1.00 0.00 H new ATOM 0 HG2 ARG B 6 0.824 2.369 -1.130 1.00 0.00 H new ATOM 0 HG3 ARG B 6 1.814 2.978 -2.442 1.00 0.00 H new ATOM 0 HD2 ARG B 6 3.427 1.230 -2.197 1.00 0.00 H new ATOM 0 HD3 ARG B 6 2.853 0.800 -0.598 1.00 0.00 H new ATOM 0 HE ARG B 6 1.118 -0.501 -1.550 1.00 0.00 H new ATOM 0 HH11 ARG B 6 2.203 1.757 -4.161 1.00 0.00 H new ATOM 0 HH12 ARG B 6 1.450 0.794 -5.436 1.00 0.00 H new ATOM 0 HH21 ARG B 6 0.346 -1.821 -3.271 1.00 0.00 H new ATOM 0 HH22 ARG B 6 0.401 -1.228 -4.934 1.00 0.00 H new ATOM 597 N HIS B 7 -0.010 3.733 1.216 1.00 0.00 N ATOM 598 CA HIS B 7 -1.309 3.305 1.703 1.00 0.00 C ATOM 599 C HIS B 7 -2.344 4.405 1.662 1.00 0.00 C ATOM 600 O HIS B 7 -3.376 4.180 1.056 1.00 0.00 O ATOM 601 CB HIS B 7 -1.249 2.678 3.126 1.00 0.00 C ATOM 602 CG HIS B 7 -2.569 2.246 3.698 1.00 0.00 C ATOM 603 ND1 HIS B 7 -2.915 0.940 3.894 1.00 0.00 N ATOM 604 CD2 HIS B 7 -3.598 3.002 4.142 1.00 0.00 C ATOM 605 CE1 HIS B 7 -4.122 0.907 4.441 1.00 0.00 C ATOM 606 NE2 HIS B 7 -4.556 2.147 4.609 1.00 0.00 N ATOM 0 H HIS B 7 0.733 3.336 1.790 1.00 0.00 H new ATOM 0 HA HIS B 7 -1.621 2.525 1.009 1.00 0.00 H new ATOM 0 HB2 HIS B 7 -0.586 1.814 3.096 1.00 0.00 H new ATOM 0 HB3 HIS B 7 -0.798 3.402 3.805 1.00 0.00 H new ATOM 0 HD2 HIS B 7 -3.653 4.081 4.130 1.00 0.00 H new ATOM 0 HE1 HIS B 7 -4.665 0.012 4.707 1.00 0.00 H new ATOM 0 HE2 HIS B 7 -5.451 2.417 5.017 1.00 0.00 H new ATOM 615 N GLU B 8 -2.100 5.601 2.275 1.00 0.00 N ATOM 616 CA GLU B 8 -2.964 6.774 2.332 1.00 0.00 C ATOM 617 C GLU B 8 -3.754 7.043 1.032 1.00 0.00 C ATOM 618 O GLU B 8 -4.978 7.168 1.089 1.00 0.00 O ATOM 619 CB GLU B 8 -2.136 8.026 2.776 1.00 0.00 C ATOM 620 CG GLU B 8 -2.985 9.173 3.369 1.00 0.00 C ATOM 621 CD GLU B 8 -2.104 10.362 3.762 1.00 0.00 C ATOM 622 OE1 GLU B 8 -1.571 11.045 2.845 1.00 0.00 O ATOM 623 OE2 GLU B 8 -1.964 10.611 4.990 1.00 0.00 O ATOM 0 H GLU B 8 -1.224 5.761 2.773 1.00 0.00 H new ATOM 0 HA GLU B 8 -3.728 6.562 3.080 1.00 0.00 H new ATOM 0 HB2 GLU B 8 -1.399 7.715 3.516 1.00 0.00 H new ATOM 0 HB3 GLU B 8 -1.584 8.405 1.916 1.00 0.00 H new ATOM 0 HG2 GLU B 8 -3.730 9.493 2.640 1.00 0.00 H new ATOM 0 HG3 GLU B 8 -3.528 8.814 4.243 1.00 0.00 H new ATOM 630 N ARG B 9 -3.065 7.091 -0.151 1.00 0.00 N ATOM 631 CA ARG B 9 -3.612 7.298 -1.491 1.00 0.00 C ATOM 632 C ARG B 9 -4.248 6.011 -2.034 1.00 0.00 C ATOM 633 O ARG B 9 -5.398 6.044 -2.474 1.00 0.00 O ATOM 634 CB ARG B 9 -2.553 7.817 -2.523 1.00 0.00 C ATOM 635 CG ARG B 9 -1.977 9.246 -2.325 1.00 0.00 C ATOM 636 CD ARG B 9 -1.107 9.474 -1.068 1.00 0.00 C ATOM 637 NE ARG B 9 -0.325 10.759 -1.239 1.00 0.00 N ATOM 638 CZ ARG B 9 1.044 10.854 -1.314 1.00 0.00 C ATOM 639 NH1 ARG B 9 1.873 9.815 -1.002 1.00 0.00 N ATOM 640 NH2 ARG B 9 1.596 12.036 -1.722 1.00 0.00 N ATOM 0 H ARG B 9 -2.052 6.977 -0.172 1.00 0.00 H new ATOM 0 HA ARG B 9 -4.370 8.072 -1.377 1.00 0.00 H new ATOM 0 HB2 ARG B 9 -1.717 7.118 -2.523 1.00 0.00 H new ATOM 0 HB3 ARG B 9 -3.005 7.774 -3.514 1.00 0.00 H new ATOM 0 HG2 ARG B 9 -1.381 9.497 -3.202 1.00 0.00 H new ATOM 0 HG3 ARG B 9 -2.810 9.948 -2.294 1.00 0.00 H new ATOM 0 HD2 ARG B 9 -1.736 9.531 -0.180 1.00 0.00 H new ATOM 0 HD3 ARG B 9 -0.426 8.635 -0.923 1.00 0.00 H new ATOM 0 HE ARG B 9 -0.858 11.626 -1.304 1.00 0.00 H new ATOM 0 HH11 ARG B 9 1.481 8.923 -0.699 1.00 0.00 H new ATOM 0 HH12 ARG B 9 2.884 9.930 -1.072 1.00 0.00 H new ATOM 0 HH21 ARG B 9 0.994 12.824 -1.963 1.00 0.00 H new ATOM 0 HH22 ARG B 9 2.610 12.130 -1.785 1.00 0.00 H new ATOM 654 N ARG B 10 -3.520 4.849 -2.005 1.00 0.00 N ATOM 655 CA ARG B 10 -3.923 3.508 -2.446 1.00 0.00 C ATOM 656 C ARG B 10 -5.258 3.069 -1.807 1.00 0.00 C ATOM 657 O ARG B 10 -6.139 2.586 -2.516 1.00 0.00 O ATOM 658 CB ARG B 10 -2.730 2.522 -2.185 1.00 0.00 C ATOM 659 CG ARG B 10 -2.752 1.091 -2.782 1.00 0.00 C ATOM 660 CD ARG B 10 -3.509 0.033 -1.956 1.00 0.00 C ATOM 661 NE ARG B 10 -3.100 -1.358 -2.400 1.00 0.00 N ATOM 662 CZ ARG B 10 -3.880 -2.268 -3.069 1.00 0.00 C ATOM 663 NH1 ARG B 10 -5.120 -1.978 -3.553 1.00 0.00 N ATOM 664 NH2 ARG B 10 -3.380 -3.528 -3.247 1.00 0.00 N ATOM 0 H ARG B 10 -2.567 4.846 -1.642 1.00 0.00 H new ATOM 0 HA ARG B 10 -4.129 3.507 -3.516 1.00 0.00 H new ATOM 0 HB2 ARG B 10 -1.824 3.009 -2.547 1.00 0.00 H new ATOM 0 HB3 ARG B 10 -2.627 2.419 -1.105 1.00 0.00 H new ATOM 0 HG2 ARG B 10 -3.200 1.138 -3.775 1.00 0.00 H new ATOM 0 HG3 ARG B 10 -1.723 0.756 -2.912 1.00 0.00 H new ATOM 0 HD2 ARG B 10 -3.293 0.164 -0.896 1.00 0.00 H new ATOM 0 HD3 ARG B 10 -4.584 0.163 -2.081 1.00 0.00 H new ATOM 0 HE ARG B 10 -2.147 -1.647 -2.179 1.00 0.00 H new ATOM 0 HH11 ARG B 10 -5.512 -1.045 -3.425 1.00 0.00 H new ATOM 0 HH12 ARG B 10 -5.656 -2.694 -4.043 1.00 0.00 H new ATOM 0 HH21 ARG B 10 -2.456 -3.765 -2.887 1.00 0.00 H new ATOM 0 HH22 ARG B 10 -3.931 -4.231 -3.739 1.00 0.00 H new ATOM 678 N ARG B 11 -5.444 3.293 -0.468 1.00 0.00 N ATOM 679 CA ARG B 11 -6.591 3.092 0.410 1.00 0.00 C ATOM 680 C ARG B 11 -7.801 3.756 -0.229 1.00 0.00 C ATOM 681 O ARG B 11 -8.761 3.041 -0.490 1.00 0.00 O ATOM 682 CB ARG B 11 -6.296 3.625 1.843 1.00 0.00 C ATOM 683 CG ARG B 11 -7.400 3.492 2.912 1.00 0.00 C ATOM 684 CD ARG B 11 -7.431 4.647 3.924 1.00 0.00 C ATOM 685 NE ARG B 11 -8.396 4.279 5.029 1.00 0.00 N ATOM 686 CZ ARG B 11 -9.609 4.869 5.286 1.00 0.00 C ATOM 687 NH1 ARG B 11 -10.067 5.959 4.603 1.00 0.00 N ATOM 688 NH2 ARG B 11 -10.393 4.335 6.273 1.00 0.00 N ATOM 0 H ARG B 11 -4.667 3.673 0.073 1.00 0.00 H new ATOM 0 HA ARG B 11 -6.800 2.029 0.528 1.00 0.00 H new ATOM 0 HB2 ARG B 11 -5.410 3.110 2.214 1.00 0.00 H new ATOM 0 HB3 ARG B 11 -6.039 4.681 1.759 1.00 0.00 H new ATOM 0 HG2 ARG B 11 -8.368 3.432 2.415 1.00 0.00 H new ATOM 0 HG3 ARG B 11 -7.260 2.555 3.450 1.00 0.00 H new ATOM 0 HD2 ARG B 11 -6.435 4.823 4.331 1.00 0.00 H new ATOM 0 HD3 ARG B 11 -7.744 5.571 3.438 1.00 0.00 H new ATOM 0 HE ARG B 11 -8.118 3.516 5.645 1.00 0.00 H new ATOM 0 HH11 ARG B 11 -9.500 6.372 3.863 1.00 0.00 H new ATOM 0 HH12 ARG B 11 -10.976 6.360 4.833 1.00 0.00 H new ATOM 0 HH21 ARG B 11 -10.071 3.520 6.795 1.00 0.00 H new ATOM 0 HH22 ARG B 11 -11.299 4.752 6.486 1.00 0.00 H new ATOM 702 N LYS B 12 -7.773 5.102 -0.526 1.00 0.00 N ATOM 703 CA LYS B 12 -8.823 5.894 -1.180 1.00 0.00 C ATOM 704 C LYS B 12 -9.441 5.136 -2.360 1.00 0.00 C ATOM 705 O LYS B 12 -10.646 4.883 -2.355 1.00 0.00 O ATOM 706 CB LYS B 12 -8.370 7.328 -1.618 1.00 0.00 C ATOM 707 CG LYS B 12 -7.943 8.269 -0.463 1.00 0.00 C ATOM 708 CD LYS B 12 -7.322 9.608 -0.919 1.00 0.00 C ATOM 709 CE LYS B 12 -6.807 10.489 0.234 1.00 0.00 C ATOM 710 NZ LYS B 12 -6.204 11.740 -0.284 1.00 0.00 N ATOM 0 H LYS B 12 -6.961 5.674 -0.293 1.00 0.00 H new ATOM 0 HA LYS B 12 -9.584 6.044 -0.414 1.00 0.00 H new ATOM 0 HB2 LYS B 12 -7.536 7.231 -2.313 1.00 0.00 H new ATOM 0 HB3 LYS B 12 -9.187 7.798 -2.165 1.00 0.00 H new ATOM 0 HG2 LYS B 12 -8.814 8.480 0.157 1.00 0.00 H new ATOM 0 HG3 LYS B 12 -7.223 7.746 0.167 1.00 0.00 H new ATOM 0 HD2 LYS B 12 -6.496 9.400 -1.599 1.00 0.00 H new ATOM 0 HD3 LYS B 12 -8.067 10.168 -1.484 1.00 0.00 H new ATOM 0 HE2 LYS B 12 -7.629 10.729 0.908 1.00 0.00 H new ATOM 0 HE3 LYS B 12 -6.068 9.938 0.816 1.00 0.00 H new ATOM 0 HZ1 LYS B 12 -5.864 12.317 0.512 1.00 0.00 H new ATOM 0 HZ2 LYS B 12 -5.406 11.508 -0.909 1.00 0.00 H new ATOM 0 HZ3 LYS B 12 -6.918 12.274 -0.819 1.00 0.00 H new ATOM 724 N LEU B 13 -8.604 4.715 -3.354 1.00 0.00 N ATOM 725 CA LEU B 13 -8.971 3.944 -4.536 1.00 0.00 C ATOM 726 C LEU B 13 -9.530 2.576 -4.208 1.00 0.00 C ATOM 727 O LEU B 13 -10.621 2.257 -4.676 1.00 0.00 O ATOM 728 CB LEU B 13 -7.885 3.865 -5.623 1.00 0.00 C ATOM 729 CG LEU B 13 -7.554 5.233 -6.302 1.00 0.00 C ATOM 730 CD1 LEU B 13 -8.765 6.188 -6.564 1.00 0.00 C ATOM 731 CD2 LEU B 13 -6.344 5.943 -5.639 1.00 0.00 C ATOM 0 H LEU B 13 -7.606 4.926 -3.331 1.00 0.00 H new ATOM 0 HA LEU B 13 -9.778 4.529 -4.976 1.00 0.00 H new ATOM 0 HB2 LEU B 13 -6.974 3.462 -5.181 1.00 0.00 H new ATOM 0 HB3 LEU B 13 -8.206 3.160 -6.390 1.00 0.00 H new ATOM 0 HG LEU B 13 -7.254 4.953 -7.312 1.00 0.00 H new ATOM 0 HD11 LEU B 13 -8.411 7.103 -7.038 1.00 0.00 H new ATOM 0 HD12 LEU B 13 -9.482 5.694 -7.219 1.00 0.00 H new ATOM 0 HD13 LEU B 13 -9.247 6.433 -5.617 1.00 0.00 H new ATOM 0 HD21 LEU B 13 -6.154 6.889 -6.147 1.00 0.00 H new ATOM 0 HD22 LEU B 13 -6.564 6.133 -4.589 1.00 0.00 H new ATOM 0 HD23 LEU B 13 -5.462 5.307 -5.715 1.00 0.00 H new ATOM 743 N ALA B 14 -8.816 1.762 -3.375 1.00 0.00 N ATOM 744 CA ALA B 14 -9.200 0.443 -2.896 1.00 0.00 C ATOM 745 C ALA B 14 -10.602 0.451 -2.330 1.00 0.00 C ATOM 746 O ALA B 14 -11.412 -0.393 -2.726 1.00 0.00 O ATOM 747 CB ALA B 14 -8.266 -0.111 -1.808 1.00 0.00 C ATOM 0 H ALA B 14 -7.907 2.047 -3.011 1.00 0.00 H new ATOM 0 HA ALA B 14 -9.135 -0.200 -3.774 1.00 0.00 H new ATOM 0 HB1 ALA B 14 -8.613 -1.097 -1.498 1.00 0.00 H new ATOM 0 HB2 ALA B 14 -7.253 -0.190 -2.204 1.00 0.00 H new ATOM 0 HB3 ALA B 14 -8.269 0.561 -0.950 1.00 0.00 H new ATOM 753 N ILE B 15 -10.916 1.442 -1.424 1.00 0.00 N ATOM 754 CA ILE B 15 -12.222 1.621 -0.832 1.00 0.00 C ATOM 755 C ILE B 15 -13.236 1.835 -1.958 1.00 0.00 C ATOM 756 O ILE B 15 -14.172 1.043 -2.076 1.00 0.00 O ATOM 757 CB ILE B 15 -12.473 2.685 0.269 1.00 0.00 C ATOM 758 CG1 ILE B 15 -11.376 2.872 1.361 1.00 0.00 C ATOM 759 CG2 ILE B 15 -13.816 2.294 0.935 1.00 0.00 C ATOM 760 CD1 ILE B 15 -10.923 4.320 1.443 1.00 0.00 C ATOM 0 H ILE B 15 -10.234 2.129 -1.104 1.00 0.00 H new ATOM 0 HA ILE B 15 -12.326 0.699 -0.260 1.00 0.00 H new ATOM 0 HB ILE B 15 -12.471 3.654 -0.229 1.00 0.00 H new ATOM 0 HG12 ILE B 15 -11.765 2.555 2.329 1.00 0.00 H new ATOM 0 HG13 ILE B 15 -10.522 2.233 1.135 1.00 0.00 H new ATOM 0 HG21 ILE B 15 -14.052 3.008 1.724 1.00 0.00 H new ATOM 0 HG22 ILE B 15 -14.609 2.304 0.188 1.00 0.00 H new ATOM 0 HG23 ILE B 15 -13.733 1.295 1.363 1.00 0.00 H new ATOM 0 HD11 ILE B 15 -10.158 4.419 2.213 1.00 0.00 H new ATOM 0 HD12 ILE B 15 -10.512 4.628 0.482 1.00 0.00 H new ATOM 0 HD13 ILE B 15 -11.774 4.954 1.693 1.00 0.00 H new ATOM 772 N GLU B 16 -13.042 2.920 -2.777 1.00 0.00 N ATOM 773 CA GLU B 16 -13.888 3.349 -3.877 1.00 0.00 C ATOM 774 C GLU B 16 -14.278 2.226 -4.867 1.00 0.00 C ATOM 775 O GLU B 16 -15.415 2.230 -5.346 1.00 0.00 O ATOM 776 CB GLU B 16 -13.308 4.579 -4.662 1.00 0.00 C ATOM 777 CG GLU B 16 -13.363 5.928 -3.898 1.00 0.00 C ATOM 778 CD GLU B 16 -12.633 7.027 -4.677 1.00 0.00 C ATOM 779 OE1 GLU B 16 -13.159 7.468 -5.735 1.00 0.00 O ATOM 780 OE2 GLU B 16 -11.538 7.449 -4.215 1.00 0.00 O ATOM 0 H GLU B 16 -12.237 3.535 -2.656 1.00 0.00 H new ATOM 0 HA GLU B 16 -14.804 3.661 -3.376 1.00 0.00 H new ATOM 0 HB2 GLU B 16 -12.271 4.368 -4.923 1.00 0.00 H new ATOM 0 HB3 GLU B 16 -13.857 4.686 -5.598 1.00 0.00 H new ATOM 0 HG2 GLU B 16 -14.401 6.218 -3.738 1.00 0.00 H new ATOM 0 HG3 GLU B 16 -12.910 5.812 -2.914 1.00 0.00 H new