USER MOD reduce.3.24.130724 H: found=0, std=0, add=131, rem=0, adj=2 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= 0.0423 USER MOD Single : B 7 HIS :FLIP no HD1:sc= -0.359 F(o=-1.3,f=-0.36) USER MOD Single : B 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 535 N THR B 4 2.445 2.940 4.857 1.00 0.00 N ATOM 536 CA THR B 4 1.393 3.918 5.137 1.00 0.00 C ATOM 537 C THR B 4 1.318 5.078 4.152 1.00 0.00 C ATOM 538 O THR B 4 0.206 5.441 3.767 1.00 0.00 O ATOM 539 CB THR B 4 1.327 4.450 6.584 1.00 0.00 C ATOM 540 OG1 THR B 4 2.604 4.854 7.075 1.00 0.00 O ATOM 541 CG2 THR B 4 0.692 3.392 7.526 1.00 0.00 C ATOM 0 HA THR B 4 0.507 3.299 4.996 1.00 0.00 H new ATOM 0 HB THR B 4 0.695 5.338 6.568 1.00 0.00 H new ATOM 0 HG1 THR B 4 3.309 4.426 6.545 1.00 0.00 H new ATOM 0 HG21 THR B 4 0.654 3.785 8.542 1.00 0.00 H new ATOM 0 HG22 THR B 4 -0.319 3.163 7.187 1.00 0.00 H new ATOM 0 HG23 THR B 4 1.294 2.483 7.511 1.00 0.00 H new ATOM 549 N ARG B 5 2.472 5.670 3.714 1.00 0.00 N ATOM 550 CA ARG B 5 2.557 6.776 2.763 1.00 0.00 C ATOM 551 C ARG B 5 1.857 6.429 1.436 1.00 0.00 C ATOM 552 O ARG B 5 1.003 7.199 0.986 1.00 0.00 O ATOM 553 CB ARG B 5 4.040 7.233 2.566 1.00 0.00 C ATOM 554 CG ARG B 5 4.263 8.630 1.935 1.00 0.00 C ATOM 555 CD ARG B 5 3.913 9.825 2.843 1.00 0.00 C ATOM 556 NE ARG B 5 4.169 11.115 2.097 1.00 0.00 N ATOM 557 CZ ARG B 5 5.283 11.912 2.203 1.00 0.00 C ATOM 558 NH1 ARG B 5 6.383 11.575 2.940 1.00 0.00 N ATOM 559 NH2 ARG B 5 5.291 13.105 1.531 1.00 0.00 N ATOM 0 H ARG B 5 3.390 5.364 4.038 1.00 0.00 H new ATOM 0 HA ARG B 5 2.019 7.628 3.179 1.00 0.00 H new ATOM 0 HB2 ARG B 5 4.532 7.217 3.538 1.00 0.00 H new ATOM 0 HB3 ARG B 5 4.543 6.494 1.942 1.00 0.00 H new ATOM 0 HG2 ARG B 5 5.308 8.714 1.638 1.00 0.00 H new ATOM 0 HG3 ARG B 5 3.667 8.699 1.025 1.00 0.00 H new ATOM 0 HD2 ARG B 5 2.868 9.770 3.148 1.00 0.00 H new ATOM 0 HD3 ARG B 5 4.513 9.793 3.752 1.00 0.00 H new ATOM 0 HE ARG B 5 3.443 11.424 1.451 1.00 0.00 H new ATOM 0 HH11 ARG B 5 6.405 10.691 3.448 1.00 0.00 H new ATOM 0 HH12 ARG B 5 7.182 12.207 2.982 1.00 0.00 H new ATOM 0 HH21 ARG B 5 4.484 13.380 0.971 1.00 0.00 H new ATOM 0 HH22 ARG B 5 6.104 13.718 1.590 1.00 0.00 H new ATOM 573 N ARG B 6 2.168 5.235 0.834 1.00 0.00 N ATOM 574 CA ARG B 6 1.561 4.671 -0.367 1.00 0.00 C ATOM 575 C ARG B 6 0.088 4.346 -0.066 1.00 0.00 C ATOM 576 O ARG B 6 -0.790 4.818 -0.795 1.00 0.00 O ATOM 577 CB ARG B 6 2.349 3.422 -0.891 1.00 0.00 C ATOM 578 CG ARG B 6 1.665 2.569 -1.994 1.00 0.00 C ATOM 579 CD ARG B 6 2.507 1.385 -2.493 1.00 0.00 C ATOM 580 NE ARG B 6 1.618 0.286 -3.028 1.00 0.00 N ATOM 581 CZ ARG B 6 1.278 0.095 -4.341 1.00 0.00 C ATOM 582 NH1 ARG B 6 1.356 1.092 -5.270 1.00 0.00 N ATOM 583 NH2 ARG B 6 0.848 -1.140 -4.748 1.00 0.00 N ATOM 0 H ARG B 6 2.892 4.626 1.214 1.00 0.00 H new ATOM 0 HA ARG B 6 1.607 5.403 -1.173 1.00 0.00 H new ATOM 0 HB2 ARG B 6 3.310 3.764 -1.275 1.00 0.00 H new ATOM 0 HB3 ARG B 6 2.558 2.772 -0.041 1.00 0.00 H new ATOM 0 HG2 ARG B 6 0.719 2.189 -1.608 1.00 0.00 H new ATOM 0 HG3 ARG B 6 1.429 3.214 -2.841 1.00 0.00 H new ATOM 0 HD2 ARG B 6 3.189 1.721 -3.274 1.00 0.00 H new ATOM 0 HD3 ARG B 6 3.120 1.000 -1.679 1.00 0.00 H new ATOM 0 HE ARG B 6 1.237 -0.373 -2.350 1.00 0.00 H new ATOM 0 HH11 ARG B 6 1.677 2.021 -4.996 1.00 0.00 H new ATOM 0 HH12 ARG B 6 1.093 0.908 -6.238 1.00 0.00 H new ATOM 0 HH21 ARG B 6 0.784 -1.905 -4.076 1.00 0.00 H new ATOM 0 HH22 ARG B 6 0.592 -1.295 -5.723 1.00 0.00 H new ATOM 597 N HIS B 7 -0.196 3.540 1.016 1.00 0.00 N ATOM 598 CA HIS B 7 -1.493 3.105 1.510 1.00 0.00 C ATOM 599 C HIS B 7 -2.522 4.223 1.518 1.00 0.00 C ATOM 600 O HIS B 7 -3.528 4.052 0.856 1.00 0.00 O ATOM 601 CB HIS B 7 -1.419 2.435 2.917 1.00 0.00 C ATOM 602 CG HIS B 7 -2.738 2.067 3.555 1.00 0.00 C ATOM 603 ND1 HIS B 7 -3.729 2.867 4.014 1.00 0.00 N flip ATOM 604 CD2 HIS B 7 -3.130 0.779 3.787 1.00 0.00 C flip ATOM 605 CE1 HIS B 7 -4.705 2.056 4.520 1.00 0.00 C flip ATOM 606 NE2 HIS B 7 -4.326 0.802 4.356 1.00 0.00 N flip ATOM 0 H HIS B 7 0.559 3.164 1.590 1.00 0.00 H new ATOM 0 HA HIS B 7 -1.821 2.347 0.799 1.00 0.00 H new ATOM 0 HB2 HIS B 7 -0.816 1.531 2.834 1.00 0.00 H new ATOM 0 HB3 HIS B 7 -0.890 3.110 3.590 1.00 0.00 H new ATOM 0 HD2 HIS B 7 -2.561 -0.107 3.547 1.00 0.00 H new ATOM 0 HE1 HIS B 7 -5.628 2.384 4.976 1.00 0.00 H new ATOM 0 HE2 HIS B 7 -4.868 -0.019 4.625 1.00 0.00 H new ATOM 615 N GLU B 8 -2.301 5.370 2.232 1.00 0.00 N ATOM 616 CA GLU B 8 -3.160 6.546 2.370 1.00 0.00 C ATOM 617 C GLU B 8 -4.011 6.870 1.122 1.00 0.00 C ATOM 618 O GLU B 8 -5.241 6.839 1.206 1.00 0.00 O ATOM 619 CB GLU B 8 -2.309 7.775 2.845 1.00 0.00 C ATOM 620 CG GLU B 8 -3.121 8.973 3.395 1.00 0.00 C ATOM 621 CD GLU B 8 -2.190 10.106 3.838 1.00 0.00 C ATOM 622 OE1 GLU B 8 -1.573 10.760 2.954 1.00 0.00 O ATOM 623 OE2 GLU B 8 -2.096 10.342 5.073 1.00 0.00 O ATOM 0 H GLU B 8 -1.438 5.485 2.764 1.00 0.00 H new ATOM 0 HA GLU B 8 -3.898 6.304 3.134 1.00 0.00 H new ATOM 0 HB2 GLU B 8 -1.619 7.440 3.619 1.00 0.00 H new ATOM 0 HB3 GLU B 8 -1.704 8.122 2.007 1.00 0.00 H new ATOM 0 HG2 GLU B 8 -3.804 9.337 2.628 1.00 0.00 H new ATOM 0 HG3 GLU B 8 -3.731 8.648 4.237 1.00 0.00 H new ATOM 630 N ARG B 9 -3.369 7.150 -0.054 1.00 0.00 N ATOM 631 CA ARG B 9 -3.999 7.449 -1.344 1.00 0.00 C ATOM 632 C ARG B 9 -4.631 6.216 -2.007 1.00 0.00 C ATOM 633 O ARG B 9 -5.793 6.286 -2.418 1.00 0.00 O ATOM 634 CB ARG B 9 -3.105 8.264 -2.332 1.00 0.00 C ATOM 635 CG ARG B 9 -1.679 7.720 -2.568 1.00 0.00 C ATOM 636 CD ARG B 9 -0.824 8.567 -3.528 1.00 0.00 C ATOM 637 NE ARG B 9 0.590 8.037 -3.565 1.00 0.00 N ATOM 638 CZ ARG B 9 1.050 7.014 -4.357 1.00 0.00 C ATOM 639 NH1 ARG B 9 0.231 6.225 -5.110 1.00 0.00 N ATOM 640 NH2 ARG B 9 2.394 6.770 -4.382 1.00 0.00 N ATOM 0 H ARG B 9 -2.351 7.170 -0.112 1.00 0.00 H new ATOM 0 HA ARG B 9 -4.818 8.121 -1.088 1.00 0.00 H new ATOM 0 HB2 ARG B 9 -3.616 8.315 -3.294 1.00 0.00 H new ATOM 0 HB3 ARG B 9 -3.025 9.285 -1.959 1.00 0.00 H new ATOM 0 HG2 ARG B 9 -1.166 7.652 -1.609 1.00 0.00 H new ATOM 0 HG3 ARG B 9 -1.751 6.707 -2.963 1.00 0.00 H new ATOM 0 HD2 ARG B 9 -1.256 8.545 -4.529 1.00 0.00 H new ATOM 0 HD3 ARG B 9 -0.823 9.608 -3.205 1.00 0.00 H new ATOM 0 HE ARG B 9 1.266 8.481 -2.944 1.00 0.00 H new ATOM 0 HH11 ARG B 9 -0.777 6.382 -5.102 1.00 0.00 H new ATOM 0 HH12 ARG B 9 0.626 5.478 -5.681 1.00 0.00 H new ATOM 0 HH21 ARG B 9 3.027 7.341 -3.822 1.00 0.00 H new ATOM 0 HH22 ARG B 9 2.765 6.017 -4.961 1.00 0.00 H new ATOM 654 N ARG B 10 -3.896 5.059 -2.095 1.00 0.00 N ATOM 655 CA ARG B 10 -4.329 3.770 -2.645 1.00 0.00 C ATOM 656 C ARG B 10 -5.623 3.285 -1.955 1.00 0.00 C ATOM 657 O ARG B 10 -6.545 2.867 -2.647 1.00 0.00 O ATOM 658 CB ARG B 10 -3.161 2.725 -2.524 1.00 0.00 C ATOM 659 CG ARG B 10 -3.392 1.284 -3.054 1.00 0.00 C ATOM 660 CD ARG B 10 -2.158 0.356 -2.904 1.00 0.00 C ATOM 661 NE ARG B 10 -2.492 -1.092 -3.220 1.00 0.00 N ATOM 662 CZ ARG B 10 -2.620 -1.658 -4.462 1.00 0.00 C ATOM 663 NH1 ARG B 10 -2.378 -0.988 -5.624 1.00 0.00 N ATOM 664 NH2 ARG B 10 -3.005 -2.969 -4.516 1.00 0.00 N ATOM 0 H ARG B 10 -2.934 5.021 -1.759 1.00 0.00 H new ATOM 0 HA ARG B 10 -4.565 3.888 -3.703 1.00 0.00 H new ATOM 0 HB2 ARG B 10 -2.296 3.134 -3.046 1.00 0.00 H new ATOM 0 HB3 ARG B 10 -2.892 2.650 -1.470 1.00 0.00 H new ATOM 0 HG2 ARG B 10 -4.234 0.842 -2.522 1.00 0.00 H new ATOM 0 HG3 ARG B 10 -3.671 1.334 -4.106 1.00 0.00 H new ATOM 0 HD2 ARG B 10 -1.364 0.698 -3.568 1.00 0.00 H new ATOM 0 HD3 ARG B 10 -1.774 0.426 -1.886 1.00 0.00 H new ATOM 0 HE ARG B 10 -2.637 -1.710 -2.422 1.00 0.00 H new ATOM 0 HH11 ARG B 10 -2.084 -0.012 -5.598 1.00 0.00 H new ATOM 0 HH12 ARG B 10 -2.490 -1.463 -6.520 1.00 0.00 H new ATOM 0 HH21 ARG B 10 -3.184 -3.484 -3.654 1.00 0.00 H new ATOM 0 HH22 ARG B 10 -3.113 -3.432 -5.418 1.00 0.00 H new ATOM 678 N ARG B 11 -5.722 3.375 -0.589 1.00 0.00 N ATOM 679 CA ARG B 11 -6.805 3.073 0.335 1.00 0.00 C ATOM 680 C ARG B 11 -8.081 3.729 -0.142 1.00 0.00 C ATOM 681 O ARG B 11 -9.020 2.996 -0.429 1.00 0.00 O ATOM 682 CB ARG B 11 -6.435 3.489 1.784 1.00 0.00 C ATOM 683 CG ARG B 11 -7.457 3.153 2.884 1.00 0.00 C ATOM 684 CD ARG B 11 -7.467 4.149 4.044 1.00 0.00 C ATOM 685 NE ARG B 11 -8.322 3.548 5.132 1.00 0.00 N ATOM 686 CZ ARG B 11 -8.516 4.066 6.387 1.00 0.00 C ATOM 687 NH1 ARG B 11 -7.963 5.245 6.798 1.00 0.00 N ATOM 688 NH2 ARG B 11 -9.301 3.362 7.259 1.00 0.00 N ATOM 0 H ARG B 11 -4.915 3.712 -0.064 1.00 0.00 H new ATOM 0 HA ARG B 11 -6.969 1.996 0.355 1.00 0.00 H new ATOM 0 HB2 ARG B 11 -5.489 3.014 2.043 1.00 0.00 H new ATOM 0 HB3 ARG B 11 -6.265 4.566 1.796 1.00 0.00 H new ATOM 0 HG2 ARG B 11 -8.453 3.115 2.442 1.00 0.00 H new ATOM 0 HG3 ARG B 11 -7.243 2.158 3.274 1.00 0.00 H new ATOM 0 HD2 ARG B 11 -6.455 4.331 4.405 1.00 0.00 H new ATOM 0 HD3 ARG B 11 -7.869 5.110 3.724 1.00 0.00 H new ATOM 0 HE ARG B 11 -8.801 2.674 4.914 1.00 0.00 H new ATOM 0 HH11 ARG B 11 -7.376 5.782 6.160 1.00 0.00 H new ATOM 0 HH12 ARG B 11 -8.137 5.588 7.743 1.00 0.00 H new ATOM 0 HH21 ARG B 11 -9.722 2.480 6.968 1.00 0.00 H new ATOM 0 HH22 ARG B 11 -9.465 3.720 8.200 1.00 0.00 H new ATOM 702 N LYS B 12 -8.134 5.097 -0.261 1.00 0.00 N ATOM 703 CA LYS B 12 -9.263 5.900 -0.736 1.00 0.00 C ATOM 704 C LYS B 12 -9.933 5.257 -1.954 1.00 0.00 C ATOM 705 O LYS B 12 -11.135 4.986 -1.920 1.00 0.00 O ATOM 706 CB LYS B 12 -8.875 7.391 -1.019 1.00 0.00 C ATOM 707 CG LYS B 12 -8.454 8.207 0.231 1.00 0.00 C ATOM 708 CD LYS B 12 -7.963 9.642 -0.070 1.00 0.00 C ATOM 709 CE LYS B 12 -7.500 10.420 1.176 1.00 0.00 C ATOM 710 NZ LYS B 12 -7.038 11.780 0.811 1.00 0.00 N ATOM 0 H LYS B 12 -7.335 5.679 -0.009 1.00 0.00 H new ATOM 0 HA LYS B 12 -9.988 5.920 0.077 1.00 0.00 H new ATOM 0 HB2 LYS B 12 -8.056 7.407 -1.738 1.00 0.00 H new ATOM 0 HB3 LYS B 12 -9.723 7.888 -1.490 1.00 0.00 H new ATOM 0 HG2 LYS B 12 -9.302 8.263 0.914 1.00 0.00 H new ATOM 0 HG3 LYS B 12 -7.662 7.668 0.750 1.00 0.00 H new ATOM 0 HD2 LYS B 12 -7.138 9.591 -0.781 1.00 0.00 H new ATOM 0 HD3 LYS B 12 -8.767 10.196 -0.554 1.00 0.00 H new ATOM 0 HE2 LYS B 12 -8.320 10.490 1.891 1.00 0.00 H new ATOM 0 HE3 LYS B 12 -6.693 9.878 1.669 1.00 0.00 H new ATOM 0 HZ1 LYS B 12 -6.731 12.284 1.667 1.00 0.00 H new ATOM 0 HZ2 LYS B 12 -6.241 11.709 0.147 1.00 0.00 H new ATOM 0 HZ3 LYS B 12 -7.817 12.303 0.362 1.00 0.00 H new ATOM 724 N LEU B 13 -9.137 4.954 -3.020 1.00 0.00 N ATOM 725 CA LEU B 13 -9.525 4.298 -4.259 1.00 0.00 C ATOM 726 C LEU B 13 -9.973 2.865 -4.063 1.00 0.00 C ATOM 727 O LEU B 13 -11.069 2.534 -4.510 1.00 0.00 O ATOM 728 CB LEU B 13 -8.398 4.355 -5.323 1.00 0.00 C ATOM 729 CG LEU B 13 -8.078 5.799 -5.795 1.00 0.00 C ATOM 730 CD1 LEU B 13 -6.667 5.860 -6.439 1.00 0.00 C ATOM 731 CD2 LEU B 13 -9.259 6.386 -6.628 1.00 0.00 C ATOM 0 H LEU B 13 -8.144 5.186 -3.014 1.00 0.00 H new ATOM 0 HA LEU B 13 -10.384 4.863 -4.622 1.00 0.00 H new ATOM 0 HB2 LEU B 13 -7.495 3.905 -4.911 1.00 0.00 H new ATOM 0 HB3 LEU B 13 -8.689 3.754 -6.184 1.00 0.00 H new ATOM 0 HG LEU B 13 -8.007 6.477 -4.945 1.00 0.00 H new ATOM 0 HD11 LEU B 13 -6.459 6.879 -6.764 1.00 0.00 H new ATOM 0 HD12 LEU B 13 -5.920 5.553 -5.707 1.00 0.00 H new ATOM 0 HD13 LEU B 13 -6.630 5.190 -7.298 1.00 0.00 H new ATOM 0 HD21 LEU B 13 -9.011 7.398 -6.947 1.00 0.00 H new ATOM 0 HD22 LEU B 13 -9.432 5.761 -7.504 1.00 0.00 H new ATOM 0 HD23 LEU B 13 -10.160 6.409 -6.015 1.00 0.00 H new ATOM 743 N ALA B 14 -9.156 2.005 -3.379 1.00 0.00 N ATOM 744 CA ALA B 14 -9.407 0.612 -3.034 1.00 0.00 C ATOM 745 C ALA B 14 -10.768 0.452 -2.402 1.00 0.00 C ATOM 746 O ALA B 14 -11.535 -0.411 -2.842 1.00 0.00 O ATOM 747 CB ALA B 14 -8.373 0.036 -2.052 1.00 0.00 C ATOM 0 H ALA B 14 -8.244 2.313 -3.040 1.00 0.00 H new ATOM 0 HA ALA B 14 -9.341 0.066 -3.975 1.00 0.00 H new ATOM 0 HB1 ALA B 14 -8.617 -1.004 -1.836 1.00 0.00 H new ATOM 0 HB2 ALA B 14 -7.379 0.091 -2.496 1.00 0.00 H new ATOM 0 HB3 ALA B 14 -8.389 0.612 -1.127 1.00 0.00 H new ATOM 753 N ILE B 15 -11.103 1.323 -1.387 1.00 0.00 N ATOM 754 CA ILE B 15 -12.385 1.336 -0.734 1.00 0.00 C ATOM 755 C ILE B 15 -13.446 1.645 -1.798 1.00 0.00 C ATOM 756 O ILE B 15 -14.343 0.829 -2.009 1.00 0.00 O ATOM 757 CB ILE B 15 -12.649 2.215 0.515 1.00 0.00 C ATOM 758 CG1 ILE B 15 -11.505 2.358 1.564 1.00 0.00 C ATOM 759 CG2 ILE B 15 -13.906 1.599 1.173 1.00 0.00 C ATOM 760 CD1 ILE B 15 -11.138 3.818 1.781 1.00 0.00 C ATOM 0 H ILE B 15 -10.458 2.025 -1.026 1.00 0.00 H new ATOM 0 HA ILE B 15 -12.423 0.343 -0.287 1.00 0.00 H new ATOM 0 HB ILE B 15 -12.757 3.244 0.171 1.00 0.00 H new ATOM 0 HG12 ILE B 15 -11.817 1.914 2.509 1.00 0.00 H new ATOM 0 HG13 ILE B 15 -10.628 1.806 1.227 1.00 0.00 H new ATOM 0 HG21 ILE B 15 -14.162 2.165 2.069 1.00 0.00 H new ATOM 0 HG22 ILE B 15 -14.739 1.635 0.471 1.00 0.00 H new ATOM 0 HG23 ILE B 15 -13.704 0.563 1.444 1.00 0.00 H new ATOM 0 HD11 ILE B 15 -10.338 3.886 2.518 1.00 0.00 H new ATOM 0 HD12 ILE B 15 -10.803 4.253 0.839 1.00 0.00 H new ATOM 0 HD13 ILE B 15 -12.010 4.363 2.142 1.00 0.00 H new ATOM 772 N GLU B 16 -13.341 2.836 -2.466 1.00 0.00 N ATOM 773 CA GLU B 16 -14.236 3.357 -3.481 1.00 0.00 C ATOM 774 C GLU B 16 -14.514 2.419 -4.695 1.00 0.00 C ATOM 775 O GLU B 16 -15.466 2.660 -5.443 1.00 0.00 O ATOM 776 CB GLU B 16 -13.702 4.761 -3.983 1.00 0.00 C ATOM 777 CG GLU B 16 -14.720 5.659 -4.731 1.00 0.00 C ATOM 778 CD GLU B 16 -14.103 7.025 -5.058 1.00 0.00 C ATOM 779 OE1 GLU B 16 -13.192 7.081 -5.929 1.00 0.00 O ATOM 780 OE2 GLU B 16 -14.547 8.032 -4.445 1.00 0.00 O ATOM 0 H GLU B 16 -12.571 3.478 -2.278 1.00 0.00 H new ATOM 0 HA GLU B 16 -15.204 3.450 -2.988 1.00 0.00 H new ATOM 0 HB2 GLU B 16 -13.329 5.313 -3.120 1.00 0.00 H new ATOM 0 HB3 GLU B 16 -12.851 4.587 -4.642 1.00 0.00 H new ATOM 0 HG2 GLU B 16 -15.037 5.168 -5.651 1.00 0.00 H new ATOM 0 HG3 GLU B 16 -15.611 5.795 -4.118 1.00 0.00 H new