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 -28:sc= 0.0416 USER MOD Single : B 7 HIS : no HD1:sc= -0.769 K(o=-0.77,f=-0.19) USER MOD Single : B 12 LYS NZ :NH3+ -138:sc= 0.024 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 535 N THR B 4 2.637 3.135 4.458 1.00 0.00 N ATOM 536 CA THR B 4 1.504 4.032 4.694 1.00 0.00 C ATOM 537 C THR B 4 1.340 5.109 3.631 1.00 0.00 C ATOM 538 O THR B 4 0.204 5.395 3.259 1.00 0.00 O ATOM 539 CB THR B 4 1.421 4.664 6.101 1.00 0.00 C ATOM 540 OG1 THR B 4 2.662 5.229 6.520 1.00 0.00 O ATOM 541 CG2 THR B 4 0.920 3.624 7.136 1.00 0.00 C ATOM 0 HA THR B 4 0.664 3.341 4.624 1.00 0.00 H new ATOM 0 HB THR B 4 0.703 5.482 6.041 1.00 0.00 H new ATOM 0 HG1 THR B 4 3.401 4.754 6.085 1.00 0.00 H new ATOM 0 HG21 THR B 4 0.868 4.087 8.121 1.00 0.00 H new ATOM 0 HG22 THR B 4 -0.070 3.272 6.848 1.00 0.00 H new ATOM 0 HG23 THR B 4 1.610 2.781 7.168 1.00 0.00 H new ATOM 549 N ARG B 5 2.445 5.717 3.108 1.00 0.00 N ATOM 550 CA ARG B 5 2.441 6.748 2.075 1.00 0.00 C ATOM 551 C ARG B 5 1.734 6.272 0.801 1.00 0.00 C ATOM 552 O ARG B 5 0.800 6.948 0.357 1.00 0.00 O ATOM 553 CB ARG B 5 3.866 7.306 1.790 1.00 0.00 C ATOM 554 CG ARG B 5 4.560 8.065 2.949 1.00 0.00 C ATOM 555 CD ARG B 5 3.848 9.337 3.453 1.00 0.00 C ATOM 556 NE ARG B 5 4.631 9.874 4.628 1.00 0.00 N ATOM 557 CZ ARG B 5 4.145 10.111 5.891 1.00 0.00 C ATOM 558 NH1 ARG B 5 2.832 9.949 6.234 1.00 0.00 N ATOM 559 NH2 ARG B 5 5.029 10.527 6.851 1.00 0.00 N ATOM 0 H ARG B 5 3.387 5.480 3.419 1.00 0.00 H new ATOM 0 HA ARG B 5 1.861 7.584 2.464 1.00 0.00 H new ATOM 0 HB2 ARG B 5 4.505 6.473 1.497 1.00 0.00 H new ATOM 0 HB3 ARG B 5 3.804 7.977 0.933 1.00 0.00 H new ATOM 0 HG2 ARG B 5 4.672 7.379 3.789 1.00 0.00 H new ATOM 0 HG3 ARG B 5 5.564 8.340 2.626 1.00 0.00 H new ATOM 0 HD2 ARG B 5 3.792 10.082 2.660 1.00 0.00 H new ATOM 0 HD3 ARG B 5 2.824 9.109 3.749 1.00 0.00 H new ATOM 0 HE ARG B 5 5.617 10.081 4.468 1.00 0.00 H new ATOM 0 HH11 ARG B 5 2.157 9.637 5.536 1.00 0.00 H new ATOM 0 HH12 ARG B 5 2.527 10.140 7.188 1.00 0.00 H new ATOM 0 HH21 ARG B 5 6.014 10.652 6.618 1.00 0.00 H new ATOM 0 HH22 ARG B 5 4.702 10.712 7.799 1.00 0.00 H new ATOM 573 N ARG B 6 2.114 5.079 0.228 1.00 0.00 N ATOM 574 CA ARG B 6 1.454 4.466 -0.930 1.00 0.00 C ATOM 575 C ARG B 6 0.014 4.075 -0.574 1.00 0.00 C ATOM 576 O ARG B 6 -0.903 4.367 -1.349 1.00 0.00 O ATOM 577 CB ARG B 6 2.192 3.262 -1.600 1.00 0.00 C ATOM 578 CG ARG B 6 2.447 1.998 -0.737 1.00 0.00 C ATOM 579 CD ARG B 6 2.911 0.759 -1.521 1.00 0.00 C ATOM 580 NE ARG B 6 1.757 -0.092 -2.003 1.00 0.00 N ATOM 581 CZ ARG B 6 1.339 -0.207 -3.306 1.00 0.00 C ATOM 582 NH1 ARG B 6 1.546 0.779 -4.226 1.00 0.00 N ATOM 583 NH2 ARG B 6 0.720 -1.362 -3.712 1.00 0.00 N ATOM 0 H ARG B 6 2.898 4.529 0.578 1.00 0.00 H new ATOM 0 HA ARG B 6 1.475 5.246 -1.691 1.00 0.00 H new ATOM 0 HB2 ARG B 6 1.615 2.960 -2.474 1.00 0.00 H new ATOM 0 HB3 ARG B 6 3.156 3.620 -1.963 1.00 0.00 H new ATOM 0 HG2 ARG B 6 3.199 2.236 0.016 1.00 0.00 H new ATOM 0 HG3 ARG B 6 1.530 1.749 -0.204 1.00 0.00 H new ATOM 0 HD2 ARG B 6 3.505 1.077 -2.378 1.00 0.00 H new ATOM 0 HD3 ARG B 6 3.562 0.156 -0.888 1.00 0.00 H new ATOM 0 HE ARG B 6 1.246 -0.626 -1.300 1.00 0.00 H new ATOM 0 HH11 ARG B 6 2.026 1.637 -3.955 1.00 0.00 H new ATOM 0 HH12 ARG B 6 1.221 0.658 -5.185 1.00 0.00 H new ATOM 0 HH21 ARG B 6 0.575 -2.123 -3.049 1.00 0.00 H new ATOM 0 HH22 ARG B 6 0.405 -1.460 -4.677 1.00 0.00 H new ATOM 597 N HIS B 7 -0.199 3.423 0.624 1.00 0.00 N ATOM 598 CA HIS B 7 -1.454 2.978 1.195 1.00 0.00 C ATOM 599 C HIS B 7 -2.496 4.081 1.149 1.00 0.00 C ATOM 600 O HIS B 7 -3.512 3.848 0.520 1.00 0.00 O ATOM 601 CB HIS B 7 -1.317 2.398 2.628 1.00 0.00 C ATOM 602 CG HIS B 7 -2.606 1.918 3.235 1.00 0.00 C ATOM 603 ND1 HIS B 7 -2.940 0.600 3.355 1.00 0.00 N ATOM 604 CD2 HIS B 7 -3.632 2.635 3.748 1.00 0.00 C ATOM 605 CE1 HIS B 7 -4.130 0.525 3.931 1.00 0.00 C ATOM 606 NE2 HIS B 7 -4.568 1.745 4.188 1.00 0.00 N ATOM 0 H HIS B 7 0.585 3.195 1.235 1.00 0.00 H new ATOM 0 HA HIS B 7 -1.790 2.151 0.570 1.00 0.00 H new ATOM 0 HB2 HIS B 7 -0.611 1.568 2.604 1.00 0.00 H new ATOM 0 HB3 HIS B 7 -0.888 3.163 3.276 1.00 0.00 H new ATOM 0 HD2 HIS B 7 -3.698 3.712 3.800 1.00 0.00 H new ATOM 0 HE1 HIS B 7 -4.659 -0.389 4.155 1.00 0.00 H new ATOM 0 HE2 HIS B 7 -5.453 1.981 4.638 1.00 0.00 H new ATOM 615 N GLU B 8 -2.272 5.284 1.766 1.00 0.00 N ATOM 616 CA GLU B 8 -3.140 6.465 1.802 1.00 0.00 C ATOM 617 C GLU B 8 -3.909 6.688 0.490 1.00 0.00 C ATOM 618 O GLU B 8 -5.141 6.634 0.504 1.00 0.00 O ATOM 619 CB GLU B 8 -2.366 7.764 2.219 1.00 0.00 C ATOM 620 CG GLU B 8 -2.022 7.891 3.726 1.00 0.00 C ATOM 621 CD GLU B 8 -1.178 9.144 3.997 1.00 0.00 C ATOM 622 OE1 GLU B 8 -1.725 10.272 3.858 1.00 0.00 O ATOM 623 OE2 GLU B 8 0.019 8.993 4.364 1.00 0.00 O ATOM 0 H GLU B 8 -1.409 5.445 2.285 1.00 0.00 H new ATOM 0 HA GLU B 8 -3.879 6.253 2.575 1.00 0.00 H new ATOM 0 HB2 GLU B 8 -1.438 7.810 1.649 1.00 0.00 H new ATOM 0 HB3 GLU B 8 -2.962 8.629 1.928 1.00 0.00 H new ATOM 0 HG2 GLU B 8 -2.942 7.935 4.310 1.00 0.00 H new ATOM 0 HG3 GLU B 8 -1.479 7.005 4.054 1.00 0.00 H new ATOM 630 N ARG B 9 -3.204 6.904 -0.667 1.00 0.00 N ATOM 631 CA ARG B 9 -3.781 7.115 -1.993 1.00 0.00 C ATOM 632 C ARG B 9 -4.543 5.890 -2.527 1.00 0.00 C ATOM 633 O ARG B 9 -5.698 6.038 -2.935 1.00 0.00 O ATOM 634 CB ARG B 9 -2.723 7.631 -3.026 1.00 0.00 C ATOM 635 CG ARG B 9 -3.274 8.166 -4.376 1.00 0.00 C ATOM 636 CD ARG B 9 -4.164 9.425 -4.275 1.00 0.00 C ATOM 637 NE ARG B 9 -4.739 9.750 -5.634 1.00 0.00 N ATOM 638 CZ ARG B 9 -5.988 9.394 -6.089 1.00 0.00 C ATOM 639 NH1 ARG B 9 -6.851 8.619 -5.367 1.00 0.00 N ATOM 640 NH2 ARG B 9 -6.378 9.832 -7.324 1.00 0.00 N ATOM 0 H ARG B 9 -2.184 6.933 -0.677 1.00 0.00 H new ATOM 0 HA ARG B 9 -4.523 7.903 -1.865 1.00 0.00 H new ATOM 0 HB2 ARG B 9 -2.146 8.426 -2.554 1.00 0.00 H new ATOM 0 HB3 ARG B 9 -2.030 6.817 -3.239 1.00 0.00 H new ATOM 0 HG2 ARG B 9 -2.431 8.389 -5.030 1.00 0.00 H new ATOM 0 HG3 ARG B 9 -3.848 7.373 -4.855 1.00 0.00 H new ATOM 0 HD2 ARG B 9 -4.969 9.257 -3.559 1.00 0.00 H new ATOM 0 HD3 ARG B 9 -3.579 10.267 -3.906 1.00 0.00 H new ATOM 0 HE ARG B 9 -4.147 10.282 -6.272 1.00 0.00 H new ATOM 0 HH11 ARG B 9 -6.580 8.276 -4.445 1.00 0.00 H new ATOM 0 HH12 ARG B 9 -7.767 8.383 -5.750 1.00 0.00 H new ATOM 0 HH21 ARG B 9 -5.748 10.408 -7.883 1.00 0.00 H new ATOM 0 HH22 ARG B 9 -7.298 9.583 -7.686 1.00 0.00 H new ATOM 654 N ARG B 10 -3.921 4.666 -2.534 1.00 0.00 N ATOM 655 CA ARG B 10 -4.499 3.403 -2.999 1.00 0.00 C ATOM 656 C ARG B 10 -5.756 3.006 -2.192 1.00 0.00 C ATOM 657 O ARG B 10 -6.738 2.586 -2.797 1.00 0.00 O ATOM 658 CB ARG B 10 -3.406 2.279 -3.056 1.00 0.00 C ATOM 659 CG ARG B 10 -3.765 0.970 -3.812 1.00 0.00 C ATOM 660 CD ARG B 10 -4.381 -0.172 -2.965 1.00 0.00 C ATOM 661 NE ARG B 10 -3.346 -1.215 -2.578 1.00 0.00 N ATOM 662 CZ ARG B 10 -2.478 -1.170 -1.517 1.00 0.00 C ATOM 663 NH1 ARG B 10 -2.416 -0.134 -0.634 1.00 0.00 N ATOM 664 NH2 ARG B 10 -1.645 -2.240 -1.348 1.00 0.00 N ATOM 0 H ARG B 10 -2.965 4.551 -2.198 1.00 0.00 H new ATOM 0 HA ARG B 10 -4.853 3.544 -4.020 1.00 0.00 H new ATOM 0 HB2 ARG B 10 -2.513 2.701 -3.518 1.00 0.00 H new ATOM 0 HB3 ARG B 10 -3.141 2.015 -2.032 1.00 0.00 H new ATOM 0 HG2 ARG B 10 -4.465 1.218 -4.610 1.00 0.00 H new ATOM 0 HG3 ARG B 10 -2.860 0.592 -4.288 1.00 0.00 H new ATOM 0 HD2 ARG B 10 -4.829 0.246 -2.064 1.00 0.00 H new ATOM 0 HD3 ARG B 10 -5.183 -0.649 -3.528 1.00 0.00 H new ATOM 0 HE ARG B 10 -3.291 -2.041 -3.174 1.00 0.00 H new ATOM 0 HH11 ARG B 10 -3.038 0.667 -0.743 1.00 0.00 H new ATOM 0 HH12 ARG B 10 -1.748 -0.160 0.136 1.00 0.00 H new ATOM 0 HH21 ARG B 10 -1.686 -3.026 -1.997 1.00 0.00 H new ATOM 0 HH22 ARG B 10 -0.982 -2.253 -0.573 1.00 0.00 H new ATOM 678 N ARG B 11 -5.771 3.179 -0.828 1.00 0.00 N ATOM 679 CA ARG B 11 -6.831 2.977 0.156 1.00 0.00 C ATOM 680 C ARG B 11 -8.063 3.726 -0.322 1.00 0.00 C ATOM 681 O ARG B 11 -9.080 3.067 -0.510 1.00 0.00 O ATOM 682 CB ARG B 11 -6.384 3.412 1.581 1.00 0.00 C ATOM 683 CG ARG B 11 -7.417 3.246 2.710 1.00 0.00 C ATOM 684 CD ARG B 11 -7.408 4.359 3.757 1.00 0.00 C ATOM 685 NE ARG B 11 -8.447 3.981 4.783 1.00 0.00 N ATOM 686 CZ ARG B 11 -8.844 4.732 5.859 1.00 0.00 C ATOM 687 NH1 ARG B 11 -8.331 5.965 6.136 1.00 0.00 N ATOM 688 NH2 ARG B 11 -9.798 4.202 6.684 1.00 0.00 N ATOM 0 H ARG B 11 -4.924 3.504 -0.362 1.00 0.00 H new ATOM 0 HA ARG B 11 -7.066 1.916 0.240 1.00 0.00 H new ATOM 0 HB2 ARG B 11 -5.494 2.842 1.847 1.00 0.00 H new ATOM 0 HB3 ARG B 11 -6.090 4.461 1.540 1.00 0.00 H new ATOM 0 HG2 ARG B 11 -8.412 3.191 2.268 1.00 0.00 H new ATOM 0 HG3 ARG B 11 -7.237 2.294 3.210 1.00 0.00 H new ATOM 0 HD2 ARG B 11 -6.424 4.453 4.216 1.00 0.00 H new ATOM 0 HD3 ARG B 11 -7.642 5.322 3.303 1.00 0.00 H new ATOM 0 HE ARG B 11 -8.900 3.075 4.664 1.00 0.00 H new ATOM 0 HH11 ARG B 11 -7.618 6.369 5.529 1.00 0.00 H new ATOM 0 HH12 ARG B 11 -8.661 6.483 6.950 1.00 0.00 H new ATOM 0 HH21 ARG B 11 -10.187 3.280 6.488 1.00 0.00 H new ATOM 0 HH22 ARG B 11 -10.120 4.729 7.496 1.00 0.00 H new ATOM 702 N LYS B 12 -7.996 5.084 -0.562 1.00 0.00 N ATOM 703 CA LYS B 12 -9.064 5.952 -1.075 1.00 0.00 C ATOM 704 C LYS B 12 -9.846 5.261 -2.197 1.00 0.00 C ATOM 705 O LYS B 12 -11.057 5.078 -2.078 1.00 0.00 O ATOM 706 CB LYS B 12 -8.571 7.364 -1.540 1.00 0.00 C ATOM 707 CG LYS B 12 -8.046 8.289 -0.415 1.00 0.00 C ATOM 708 CD LYS B 12 -7.387 9.599 -0.916 1.00 0.00 C ATOM 709 CE LYS B 12 -6.798 10.513 0.181 1.00 0.00 C ATOM 710 NZ LYS B 12 -5.596 9.927 0.830 1.00 0.00 N ATOM 0 H LYS B 12 -7.138 5.607 -0.385 1.00 0.00 H new ATOM 0 HA LYS B 12 -9.727 6.127 -0.227 1.00 0.00 H new ATOM 0 HB2 LYS B 12 -7.778 7.229 -2.275 1.00 0.00 H new ATOM 0 HB3 LYS B 12 -9.394 7.868 -2.047 1.00 0.00 H new ATOM 0 HG2 LYS B 12 -8.875 8.544 0.245 1.00 0.00 H new ATOM 0 HG3 LYS B 12 -7.320 7.737 0.183 1.00 0.00 H new ATOM 0 HD2 LYS B 12 -6.591 9.340 -1.614 1.00 0.00 H new ATOM 0 HD3 LYS B 12 -8.130 10.167 -1.476 1.00 0.00 H new ATOM 0 HE2 LYS B 12 -6.537 11.477 -0.256 1.00 0.00 H new ATOM 0 HE3 LYS B 12 -7.559 10.702 0.938 1.00 0.00 H new ATOM 0 HZ1 LYS B 12 -5.643 10.087 1.857 1.00 0.00 H new ATOM 0 HZ2 LYS B 12 -5.562 8.905 0.640 1.00 0.00 H new ATOM 0 HZ3 LYS B 12 -4.740 10.378 0.448 1.00 0.00 H new ATOM 724 N LEU B 13 -9.139 4.819 -3.277 1.00 0.00 N ATOM 725 CA LEU B 13 -9.651 4.106 -4.436 1.00 0.00 C ATOM 726 C LEU B 13 -10.233 2.748 -4.102 1.00 0.00 C ATOM 727 O LEU B 13 -11.375 2.500 -4.487 1.00 0.00 O ATOM 728 CB LEU B 13 -8.591 3.984 -5.562 1.00 0.00 C ATOM 729 CG LEU B 13 -8.215 5.357 -6.191 1.00 0.00 C ATOM 730 CD1 LEU B 13 -6.851 5.279 -6.924 1.00 0.00 C ATOM 731 CD2 LEU B 13 -9.401 5.951 -7.012 1.00 0.00 C ATOM 0 H LEU B 13 -8.133 4.972 -3.344 1.00 0.00 H new ATOM 0 HA LEU B 13 -10.474 4.718 -4.805 1.00 0.00 H new ATOM 0 HB2 LEU B 13 -7.693 3.516 -5.159 1.00 0.00 H new ATOM 0 HB3 LEU B 13 -8.971 3.325 -6.342 1.00 0.00 H new ATOM 0 HG LEU B 13 -8.053 6.090 -5.401 1.00 0.00 H new ATOM 0 HD11 LEU B 13 -6.613 6.252 -7.354 1.00 0.00 H new ATOM 0 HD12 LEU B 13 -6.073 4.995 -6.215 1.00 0.00 H new ATOM 0 HD13 LEU B 13 -6.907 4.535 -7.719 1.00 0.00 H new ATOM 0 HD21 LEU B 13 -9.105 6.910 -7.438 1.00 0.00 H new ATOM 0 HD22 LEU B 13 -9.667 5.264 -7.815 1.00 0.00 H new ATOM 0 HD23 LEU B 13 -10.261 6.095 -6.357 1.00 0.00 H new ATOM 743 N ALA B 14 -9.485 1.867 -3.366 1.00 0.00 N ATOM 744 CA ALA B 14 -9.882 0.545 -2.895 1.00 0.00 C ATOM 745 C ALA B 14 -11.214 0.600 -2.180 1.00 0.00 C ATOM 746 O ALA B 14 -12.090 -0.213 -2.489 1.00 0.00 O ATOM 747 CB ALA B 14 -8.868 -0.096 -1.929 1.00 0.00 C ATOM 0 H ALA B 14 -8.533 2.098 -3.080 1.00 0.00 H new ATOM 0 HA ALA B 14 -9.940 -0.066 -3.796 1.00 0.00 H new ATOM 0 HB1 ALA B 14 -9.229 -1.077 -1.620 1.00 0.00 H new ATOM 0 HB2 ALA B 14 -7.906 -0.205 -2.431 1.00 0.00 H new ATOM 0 HB3 ALA B 14 -8.750 0.540 -1.051 1.00 0.00 H new ATOM 753 N ILE B 15 -11.399 1.594 -1.240 1.00 0.00 N ATOM 754 CA ILE B 15 -12.638 1.811 -0.530 1.00 0.00 C ATOM 755 C ILE B 15 -13.715 2.120 -1.571 1.00 0.00 C ATOM 756 O ILE B 15 -14.705 1.391 -1.643 1.00 0.00 O ATOM 757 CB ILE B 15 -12.753 2.850 0.617 1.00 0.00 C ATOM 758 CG1 ILE B 15 -11.546 2.991 1.595 1.00 0.00 C ATOM 759 CG2 ILE B 15 -14.039 2.462 1.388 1.00 0.00 C ATOM 760 CD1 ILE B 15 -10.993 4.407 1.592 1.00 0.00 C ATOM 0 H ILE B 15 -10.664 2.251 -0.980 1.00 0.00 H new ATOM 0 HA ILE B 15 -12.741 0.881 0.029 1.00 0.00 H new ATOM 0 HB ILE B 15 -12.774 3.838 0.158 1.00 0.00 H new ATOM 0 HG12 ILE B 15 -11.860 2.723 2.604 1.00 0.00 H new ATOM 0 HG13 ILE B 15 -10.761 2.291 1.309 1.00 0.00 H new ATOM 0 HG21 ILE B 15 -14.189 3.153 2.217 1.00 0.00 H new ATOM 0 HG22 ILE B 15 -14.895 2.511 0.715 1.00 0.00 H new ATOM 0 HG23 ILE B 15 -13.939 1.448 1.775 1.00 0.00 H new ATOM 0 HD11 ILE B 15 -10.153 4.471 2.284 1.00 0.00 H new ATOM 0 HD12 ILE B 15 -10.656 4.664 0.588 1.00 0.00 H new ATOM 0 HD13 ILE B 15 -11.773 5.103 1.902 1.00 0.00 H new ATOM 772 N GLU B 16 -13.524 3.211 -2.380 1.00 0.00 N ATOM 773 CA GLU B 16 -14.429 3.686 -3.407 1.00 0.00 C ATOM 774 C GLU B 16 -14.845 2.640 -4.482 1.00 0.00 C ATOM 775 O GLU B 16 -15.815 2.880 -5.209 1.00 0.00 O ATOM 776 CB GLU B 16 -13.895 4.977 -4.137 1.00 0.00 C ATOM 777 CG GLU B 16 -13.886 6.277 -3.289 1.00 0.00 C ATOM 778 CD GLU B 16 -15.298 6.761 -2.928 1.00 0.00 C ATOM 779 OE1 GLU B 16 -16.066 7.132 -3.858 1.00 0.00 O ATOM 780 OE2 GLU B 16 -15.617 6.781 -1.710 1.00 0.00 O ATOM 0 H GLU B 16 -12.687 3.789 -2.307 1.00 0.00 H new ATOM 0 HA GLU B 16 -15.326 3.919 -2.834 1.00 0.00 H new ATOM 0 HB2 GLU B 16 -12.879 4.783 -4.481 1.00 0.00 H new ATOM 0 HB3 GLU B 16 -14.505 5.148 -5.024 1.00 0.00 H new ATOM 0 HG2 GLU B 16 -13.321 6.104 -2.373 1.00 0.00 H new ATOM 0 HG3 GLU B 16 -13.368 7.062 -3.840 1.00 0.00 H new