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 -21:sc= 0.0469 USER MOD Single : B 7 HIS : no HD1:sc= -1.39 K(o=-1.4,f=-0.4) USER MOD Single : B 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 535 N THR B 4 2.455 3.036 4.786 1.00 0.00 N ATOM 536 CA THR B 4 1.388 4.001 5.072 1.00 0.00 C ATOM 537 C THR B 4 1.333 5.163 4.091 1.00 0.00 C ATOM 538 O THR B 4 0.234 5.516 3.658 1.00 0.00 O ATOM 539 CB THR B 4 1.299 4.521 6.523 1.00 0.00 C ATOM 540 OG1 THR B 4 2.569 4.901 7.048 1.00 0.00 O ATOM 541 CG2 THR B 4 0.625 3.465 7.439 1.00 0.00 C ATOM 0 HA THR B 4 0.502 3.382 4.932 1.00 0.00 H new ATOM 0 HB THR B 4 0.683 5.420 6.501 1.00 0.00 H new ATOM 0 HG1 THR B 4 3.280 4.464 6.533 1.00 0.00 H new ATOM 0 HG21 THR B 4 0.571 3.849 8.458 1.00 0.00 H new ATOM 0 HG22 THR B 4 -0.381 3.257 7.075 1.00 0.00 H new ATOM 0 HG23 THR B 4 1.212 2.546 7.428 1.00 0.00 H new ATOM 549 N ARG B 5 2.500 5.764 3.704 1.00 0.00 N ATOM 550 CA ARG B 5 2.614 6.859 2.748 1.00 0.00 C ATOM 551 C ARG B 5 1.993 6.473 1.388 1.00 0.00 C ATOM 552 O ARG B 5 1.219 7.260 0.838 1.00 0.00 O ATOM 553 CB ARG B 5 4.090 7.360 2.648 1.00 0.00 C ATOM 554 CG ARG B 5 4.330 8.641 1.816 1.00 0.00 C ATOM 555 CD ARG B 5 3.702 9.943 2.341 1.00 0.00 C ATOM 556 NE ARG B 5 3.953 11.020 1.313 1.00 0.00 N ATOM 557 CZ ARG B 5 3.602 12.342 1.435 1.00 0.00 C ATOM 558 NH1 ARG B 5 2.994 12.846 2.550 1.00 0.00 N ATOM 559 NH2 ARG B 5 3.873 13.187 0.395 1.00 0.00 N ATOM 0 H ARG B 5 3.405 5.473 4.075 1.00 0.00 H new ATOM 0 HA ARG B 5 2.034 7.708 3.109 1.00 0.00 H new ATOM 0 HB2 ARG B 5 4.460 7.535 3.658 1.00 0.00 H new ATOM 0 HB3 ARG B 5 4.694 6.559 2.222 1.00 0.00 H new ATOM 0 HG2 ARG B 5 5.406 8.794 1.732 1.00 0.00 H new ATOM 0 HG3 ARG B 5 3.954 8.466 0.808 1.00 0.00 H new ATOM 0 HD2 ARG B 5 2.632 9.813 2.505 1.00 0.00 H new ATOM 0 HD3 ARG B 5 4.140 10.220 3.300 1.00 0.00 H new ATOM 0 HE ARG B 5 4.425 10.741 0.453 1.00 0.00 H new ATOM 0 HH11 ARG B 5 2.783 12.233 3.337 1.00 0.00 H new ATOM 0 HH12 ARG B 5 2.752 13.836 2.595 1.00 0.00 H new ATOM 0 HH21 ARG B 5 4.326 12.831 -0.447 1.00 0.00 H new ATOM 0 HH22 ARG B 5 3.622 14.174 0.461 1.00 0.00 H new ATOM 573 N ARG B 6 2.280 5.236 0.864 1.00 0.00 N ATOM 574 CA ARG B 6 1.720 4.651 -0.350 1.00 0.00 C ATOM 575 C ARG B 6 0.221 4.395 -0.110 1.00 0.00 C ATOM 576 O ARG B 6 -0.605 4.912 -0.867 1.00 0.00 O ATOM 577 CB ARG B 6 2.479 3.351 -0.795 1.00 0.00 C ATOM 578 CG ARG B 6 1.749 2.433 -1.815 1.00 0.00 C ATOM 579 CD ARG B 6 2.555 1.213 -2.283 1.00 0.00 C ATOM 580 NE ARG B 6 1.636 0.087 -2.696 1.00 0.00 N ATOM 581 CZ ARG B 6 1.041 -0.069 -3.923 1.00 0.00 C ATOM 582 NH1 ARG B 6 0.972 0.943 -4.836 1.00 0.00 N ATOM 583 NH2 ARG B 6 0.500 -1.285 -4.243 1.00 0.00 N ATOM 0 H ARG B 6 2.944 4.609 1.318 1.00 0.00 H new ATOM 0 HA ARG B 6 1.845 5.349 -1.178 1.00 0.00 H new ATOM 0 HB2 ARG B 6 3.436 3.646 -1.226 1.00 0.00 H new ATOM 0 HB3 ARG B 6 2.699 2.763 0.096 1.00 0.00 H new ATOM 0 HG2 ARG B 6 0.819 2.085 -1.366 1.00 0.00 H new ATOM 0 HG3 ARG B 6 1.479 3.028 -2.688 1.00 0.00 H new ATOM 0 HD2 ARG B 6 3.193 1.493 -3.121 1.00 0.00 H new ATOM 0 HD3 ARG B 6 3.212 0.876 -1.481 1.00 0.00 H new ATOM 0 HE ARG B 6 1.439 -0.627 -1.995 1.00 0.00 H new ATOM 0 HH11 ARG B 6 1.371 1.856 -4.617 1.00 0.00 H new ATOM 0 HH12 ARG B 6 0.521 0.787 -5.737 1.00 0.00 H new ATOM 0 HH21 ARG B 6 0.544 -2.054 -3.575 1.00 0.00 H new ATOM 0 HH22 ARG B 6 0.053 -1.422 -5.150 1.00 0.00 H new ATOM 597 N HIS B 7 -0.135 3.590 0.951 1.00 0.00 N ATOM 598 CA HIS B 7 -1.459 3.194 1.402 1.00 0.00 C ATOM 599 C HIS B 7 -2.477 4.316 1.325 1.00 0.00 C ATOM 600 O HIS B 7 -3.482 4.112 0.667 1.00 0.00 O ATOM 601 CB HIS B 7 -1.439 2.576 2.833 1.00 0.00 C ATOM 602 CG HIS B 7 -2.778 2.290 3.459 1.00 0.00 C ATOM 603 ND1 HIS B 7 -3.206 1.032 3.778 1.00 0.00 N ATOM 604 CD2 HIS B 7 -3.731 3.152 3.882 1.00 0.00 C ATOM 605 CE1 HIS B 7 -4.386 1.137 4.373 1.00 0.00 C ATOM 606 NE2 HIS B 7 -4.723 2.413 4.455 1.00 0.00 N ATOM 0 H HIS B 7 0.586 3.181 1.545 1.00 0.00 H new ATOM 0 HA HIS B 7 -1.776 2.421 0.702 1.00 0.00 H new ATOM 0 HB2 HIS B 7 -0.874 1.645 2.795 1.00 0.00 H new ATOM 0 HB3 HIS B 7 -0.893 3.253 3.490 1.00 0.00 H new ATOM 0 HD2 HIS B 7 -3.710 4.227 3.784 1.00 0.00 H new ATOM 0 HE1 HIS B 7 -4.979 0.310 4.734 1.00 0.00 H new ATOM 0 HE2 HIS B 7 -5.577 2.781 4.874 1.00 0.00 H new ATOM 615 N GLU B 8 -2.250 5.501 1.968 1.00 0.00 N ATOM 616 CA GLU B 8 -3.096 6.691 2.015 1.00 0.00 C ATOM 617 C GLU B 8 -3.889 6.975 0.720 1.00 0.00 C ATOM 618 O GLU B 8 -5.118 7.058 0.775 1.00 0.00 O ATOM 619 CB GLU B 8 -2.238 7.927 2.451 1.00 0.00 C ATOM 620 CG GLU B 8 -3.040 9.181 2.884 1.00 0.00 C ATOM 621 CD GLU B 8 -2.095 10.333 3.240 1.00 0.00 C ATOM 622 OE1 GLU B 8 -1.407 10.246 4.294 1.00 0.00 O ATOM 623 OE2 GLU B 8 -2.058 11.325 2.463 1.00 0.00 O ATOM 0 H GLU B 8 -1.394 5.639 2.505 1.00 0.00 H new ATOM 0 HA GLU B 8 -3.867 6.492 2.759 1.00 0.00 H new ATOM 0 HB2 GLU B 8 -1.594 7.626 3.278 1.00 0.00 H new ATOM 0 HB3 GLU B 8 -1.585 8.204 1.623 1.00 0.00 H new ATOM 0 HG2 GLU B 8 -3.708 9.488 2.079 1.00 0.00 H new ATOM 0 HG3 GLU B 8 -3.666 8.939 3.743 1.00 0.00 H new ATOM 630 N ARG B 9 -3.204 7.095 -0.461 1.00 0.00 N ATOM 631 CA ARG B 9 -3.773 7.346 -1.788 1.00 0.00 C ATOM 632 C ARG B 9 -4.481 6.107 -2.339 1.00 0.00 C ATOM 633 O ARG B 9 -5.636 6.213 -2.757 1.00 0.00 O ATOM 634 CB ARG B 9 -2.727 7.839 -2.846 1.00 0.00 C ATOM 635 CG ARG B 9 -2.034 9.208 -2.609 1.00 0.00 C ATOM 636 CD ARG B 9 -1.004 9.261 -1.460 1.00 0.00 C ATOM 637 NE ARG B 9 -0.171 10.516 -1.610 1.00 0.00 N ATOM 638 CZ ARG B 9 1.201 10.573 -1.561 1.00 0.00 C ATOM 639 NH1 ARG B 9 1.970 9.524 -1.147 1.00 0.00 N ATOM 640 NH2 ARG B 9 1.824 11.727 -1.948 1.00 0.00 N ATOM 0 H ARG B 9 -2.188 7.012 -0.493 1.00 0.00 H new ATOM 0 HA ARG B 9 -4.490 8.152 -1.631 1.00 0.00 H new ATOM 0 HB2 ARG B 9 -1.948 7.080 -2.923 1.00 0.00 H new ATOM 0 HB3 ARG B 9 -3.227 7.882 -3.814 1.00 0.00 H new ATOM 0 HG2 ARG B 9 -1.534 9.503 -3.531 1.00 0.00 H new ATOM 0 HG3 ARG B 9 -2.805 9.953 -2.412 1.00 0.00 H new ATOM 0 HD2 ARG B 9 -1.513 9.259 -0.496 1.00 0.00 H new ATOM 0 HD3 ARG B 9 -0.365 8.378 -1.485 1.00 0.00 H new ATOM 0 HE ARG B 9 -0.670 11.393 -1.760 1.00 0.00 H new ATOM 0 HH11 ARG B 9 1.529 8.651 -0.857 1.00 0.00 H new ATOM 0 HH12 ARG B 9 2.986 9.613 -1.127 1.00 0.00 H new ATOM 0 HH21 ARG B 9 1.271 12.523 -2.265 1.00 0.00 H new ATOM 0 HH22 ARG B 9 2.842 11.791 -1.920 1.00 0.00 H new ATOM 654 N ARG B 10 -3.821 4.904 -2.337 1.00 0.00 N ATOM 655 CA ARG B 10 -4.346 3.615 -2.792 1.00 0.00 C ATOM 656 C ARG B 10 -5.649 3.252 -2.064 1.00 0.00 C ATOM 657 O ARG B 10 -6.601 2.861 -2.731 1.00 0.00 O ATOM 658 CB ARG B 10 -3.257 2.499 -2.659 1.00 0.00 C ATOM 659 CG ARG B 10 -3.681 1.031 -2.931 1.00 0.00 C ATOM 660 CD ARG B 10 -2.496 0.050 -2.915 1.00 0.00 C ATOM 661 NE ARG B 10 -2.985 -1.374 -2.743 1.00 0.00 N ATOM 662 CZ ARG B 10 -2.554 -2.244 -1.776 1.00 0.00 C ATOM 663 NH1 ARG B 10 -1.799 -1.852 -0.709 1.00 0.00 N ATOM 664 NH2 ARG B 10 -2.876 -3.567 -1.898 1.00 0.00 N ATOM 0 H ARG B 10 -2.862 4.827 -1.997 1.00 0.00 H new ATOM 0 HA ARG B 10 -4.597 3.699 -3.849 1.00 0.00 H new ATOM 0 HB2 ARG B 10 -2.443 2.743 -3.342 1.00 0.00 H new ATOM 0 HB3 ARG B 10 -2.851 2.548 -1.649 1.00 0.00 H new ATOM 0 HG2 ARG B 10 -4.410 0.724 -2.181 1.00 0.00 H new ATOM 0 HG3 ARG B 10 -4.178 0.976 -3.899 1.00 0.00 H new ATOM 0 HD2 ARG B 10 -1.932 0.137 -3.844 1.00 0.00 H new ATOM 0 HD3 ARG B 10 -1.815 0.307 -2.104 1.00 0.00 H new ATOM 0 HE ARG B 10 -3.690 -1.711 -3.398 1.00 0.00 H new ATOM 0 HH11 ARG B 10 -1.531 -0.873 -0.606 1.00 0.00 H new ATOM 0 HH12 ARG B 10 -1.502 -2.538 -0.015 1.00 0.00 H new ATOM 0 HH21 ARG B 10 -3.425 -3.887 -2.696 1.00 0.00 H new ATOM 0 HH22 ARG B 10 -2.567 -4.234 -1.191 1.00 0.00 H new ATOM 678 N ARG B 11 -5.723 3.410 -0.705 1.00 0.00 N ATOM 679 CA ARG B 11 -6.826 3.218 0.222 1.00 0.00 C ATOM 680 C ARG B 11 -8.071 3.889 -0.344 1.00 0.00 C ATOM 681 O ARG B 11 -9.057 3.190 -0.530 1.00 0.00 O ATOM 682 CB ARG B 11 -6.458 3.744 1.633 1.00 0.00 C ATOM 683 CG ARG B 11 -7.523 3.563 2.726 1.00 0.00 C ATOM 684 CD ARG B 11 -7.551 4.686 3.759 1.00 0.00 C ATOM 685 NE ARG B 11 -8.583 4.289 4.786 1.00 0.00 N ATOM 686 CZ ARG B 11 -9.180 5.117 5.703 1.00 0.00 C ATOM 687 NH1 ARG B 11 -8.831 6.426 5.863 1.00 0.00 N ATOM 688 NH2 ARG B 11 -10.171 4.588 6.486 1.00 0.00 N ATOM 0 H ARG B 11 -4.892 3.714 -0.197 1.00 0.00 H new ATOM 0 HA ARG B 11 -7.035 2.154 0.338 1.00 0.00 H new ATOM 0 HB2 ARG B 11 -5.546 3.243 1.958 1.00 0.00 H new ATOM 0 HB3 ARG B 11 -6.227 4.806 1.553 1.00 0.00 H new ATOM 0 HG2 ARG B 11 -8.503 3.492 2.255 1.00 0.00 H new ATOM 0 HG3 ARG B 11 -7.346 2.617 3.238 1.00 0.00 H new ATOM 0 HD2 ARG B 11 -6.572 4.814 4.221 1.00 0.00 H new ATOM 0 HD3 ARG B 11 -7.811 5.637 3.293 1.00 0.00 H new ATOM 0 HE ARG B 11 -8.864 3.309 4.800 1.00 0.00 H new ATOM 0 HH11 ARG B 11 -8.094 6.832 5.286 1.00 0.00 H new ATOM 0 HH12 ARG B 11 -9.307 6.999 6.560 1.00 0.00 H new ATOM 0 HH21 ARG B 11 -10.441 3.611 6.376 1.00 0.00 H new ATOM 0 HH22 ARG B 11 -10.639 5.171 7.179 1.00 0.00 H new ATOM 702 N LYS B 12 -8.035 5.225 -0.663 1.00 0.00 N ATOM 703 CA LYS B 12 -9.101 6.035 -1.260 1.00 0.00 C ATOM 704 C LYS B 12 -9.802 5.289 -2.407 1.00 0.00 C ATOM 705 O LYS B 12 -11.018 5.085 -2.353 1.00 0.00 O ATOM 706 CB LYS B 12 -8.597 7.450 -1.710 1.00 0.00 C ATOM 707 CG LYS B 12 -8.118 8.376 -0.562 1.00 0.00 C ATOM 708 CD LYS B 12 -7.377 9.649 -1.033 1.00 0.00 C ATOM 709 CE LYS B 12 -6.758 10.478 0.109 1.00 0.00 C ATOM 710 NZ LYS B 12 -6.012 11.641 -0.427 1.00 0.00 N ATOM 0 H LYS B 12 -7.197 5.780 -0.490 1.00 0.00 H new ATOM 0 HA LYS B 12 -9.841 6.204 -0.478 1.00 0.00 H new ATOM 0 HB2 LYS B 12 -7.777 7.318 -2.415 1.00 0.00 H new ATOM 0 HB3 LYS B 12 -9.402 7.951 -2.247 1.00 0.00 H new ATOM 0 HG2 LYS B 12 -8.982 8.673 0.033 1.00 0.00 H new ATOM 0 HG3 LYS B 12 -7.458 7.809 0.094 1.00 0.00 H new ATOM 0 HD2 LYS B 12 -6.587 9.361 -1.727 1.00 0.00 H new ATOM 0 HD3 LYS B 12 -8.074 10.278 -1.587 1.00 0.00 H new ATOM 0 HE2 LYS B 12 -7.544 10.823 0.781 1.00 0.00 H new ATOM 0 HE3 LYS B 12 -6.088 9.851 0.697 1.00 0.00 H new ATOM 0 HZ1 LYS B 12 -5.604 12.184 0.360 1.00 0.00 H new ATOM 0 HZ2 LYS B 12 -5.249 11.307 -1.049 1.00 0.00 H new ATOM 0 HZ3 LYS B 12 -6.659 12.249 -0.969 1.00 0.00 H new ATOM 724 N LEU B 13 -9.024 4.820 -3.429 1.00 0.00 N ATOM 725 CA LEU B 13 -9.474 4.037 -4.577 1.00 0.00 C ATOM 726 C LEU B 13 -9.961 2.655 -4.195 1.00 0.00 C ATOM 727 O LEU B 13 -11.054 2.276 -4.609 1.00 0.00 O ATOM 728 CB LEU B 13 -8.476 3.967 -5.744 1.00 0.00 C ATOM 729 CG LEU B 13 -8.210 5.339 -6.438 1.00 0.00 C ATOM 730 CD1 LEU B 13 -9.458 6.259 -6.638 1.00 0.00 C ATOM 731 CD2 LEU B 13 -6.983 6.074 -5.833 1.00 0.00 C ATOM 0 H LEU B 13 -8.020 4.997 -3.457 1.00 0.00 H new ATOM 0 HA LEU B 13 -10.327 4.603 -4.951 1.00 0.00 H new ATOM 0 HB2 LEU B 13 -7.530 3.569 -5.376 1.00 0.00 H new ATOM 0 HB3 LEU B 13 -8.851 3.263 -6.487 1.00 0.00 H new ATOM 0 HG LEU B 13 -7.951 5.074 -7.463 1.00 0.00 H new ATOM 0 HD11 LEU B 13 -9.154 7.183 -7.129 1.00 0.00 H new ATOM 0 HD12 LEU B 13 -10.194 5.745 -7.257 1.00 0.00 H new ATOM 0 HD13 LEU B 13 -9.898 6.491 -5.668 1.00 0.00 H new ATOM 0 HD21 LEU B 13 -6.837 7.024 -6.348 1.00 0.00 H new ATOM 0 HD22 LEU B 13 -7.156 6.259 -4.773 1.00 0.00 H new ATOM 0 HD23 LEU B 13 -6.093 5.456 -5.953 1.00 0.00 H new ATOM 743 N ALA B 14 -9.172 1.895 -3.380 1.00 0.00 N ATOM 744 CA ALA B 14 -9.449 0.575 -2.844 1.00 0.00 C ATOM 745 C ALA B 14 -10.820 0.506 -2.214 1.00 0.00 C ATOM 746 O ALA B 14 -11.582 -0.409 -2.542 1.00 0.00 O ATOM 747 CB ALA B 14 -8.451 0.122 -1.771 1.00 0.00 C ATOM 0 H ALA B 14 -8.262 2.237 -3.072 1.00 0.00 H new ATOM 0 HA ALA B 14 -9.372 -0.083 -3.709 1.00 0.00 H new ATOM 0 HB1 ALA B 14 -8.723 -0.873 -1.418 1.00 0.00 H new ATOM 0 HB2 ALA B 14 -7.448 0.095 -2.196 1.00 0.00 H new ATOM 0 HB3 ALA B 14 -8.473 0.822 -0.935 1.00 0.00 H new ATOM 753 N ILE B 15 -11.162 1.503 -1.324 1.00 0.00 N ATOM 754 CA ILE B 15 -12.446 1.619 -0.676 1.00 0.00 C ATOM 755 C ILE B 15 -13.509 1.695 -1.772 1.00 0.00 C ATOM 756 O ILE B 15 -14.391 0.836 -1.804 1.00 0.00 O ATOM 757 CB ILE B 15 -12.717 2.719 0.385 1.00 0.00 C ATOM 758 CG1 ILE B 15 -11.596 2.988 1.437 1.00 0.00 C ATOM 759 CG2 ILE B 15 -14.022 2.280 1.100 1.00 0.00 C ATOM 760 CD1 ILE B 15 -11.148 4.441 1.437 1.00 0.00 C ATOM 0 H ILE B 15 -10.513 2.244 -1.058 1.00 0.00 H new ATOM 0 HA ILE B 15 -12.472 0.731 -0.044 1.00 0.00 H new ATOM 0 HB ILE B 15 -12.777 3.672 -0.140 1.00 0.00 H new ATOM 0 HG12 ILE B 15 -11.959 2.721 2.429 1.00 0.00 H new ATOM 0 HG13 ILE B 15 -10.741 2.345 1.227 1.00 0.00 H new ATOM 0 HG21 ILE B 15 -14.280 3.010 1.867 1.00 0.00 H new ATOM 0 HG22 ILE B 15 -14.832 2.216 0.373 1.00 0.00 H new ATOM 0 HG23 ILE B 15 -13.873 1.305 1.563 1.00 0.00 H new ATOM 0 HD11 ILE B 15 -10.367 4.581 2.185 1.00 0.00 H new ATOM 0 HD12 ILE B 15 -10.759 4.702 0.453 1.00 0.00 H new ATOM 0 HD13 ILE B 15 -11.996 5.083 1.674 1.00 0.00 H new ATOM 772 N GLU B 16 -13.409 2.729 -2.670 1.00 0.00 N ATOM 773 CA GLU B 16 -14.300 3.009 -3.776 1.00 0.00 C ATOM 774 C GLU B 16 -14.606 1.775 -4.673 1.00 0.00 C ATOM 775 O GLU B 16 -15.737 1.657 -5.150 1.00 0.00 O ATOM 776 CB GLU B 16 -13.809 4.241 -4.621 1.00 0.00 C ATOM 777 CG GLU B 16 -14.909 4.926 -5.472 1.00 0.00 C ATOM 778 CD GLU B 16 -15.966 5.623 -4.605 1.00 0.00 C ATOM 779 OE1 GLU B 16 -15.632 6.658 -3.965 1.00 0.00 O ATOM 780 OE2 GLU B 16 -17.126 5.131 -4.580 1.00 0.00 O ATOM 0 H GLU B 16 -12.651 3.409 -2.611 1.00 0.00 H new ATOM 0 HA GLU B 16 -15.254 3.274 -3.320 1.00 0.00 H new ATOM 0 HB2 GLU B 16 -13.380 4.980 -3.944 1.00 0.00 H new ATOM 0 HB3 GLU B 16 -13.008 3.913 -5.284 1.00 0.00 H new ATOM 0 HG2 GLU B 16 -14.449 5.657 -6.137 1.00 0.00 H new ATOM 0 HG3 GLU B 16 -15.394 4.181 -6.103 1.00 0.00 H new