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= 0.0413 USER MOD Single : B 7 HIS : no HD1:sc= -0.988 K(o=-0.99,f=-0.19) USER MOD Single : B 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 535 N THR B 4 2.260 3.241 4.615 1.00 0.00 N ATOM 536 CA THR B 4 1.166 4.196 4.811 1.00 0.00 C ATOM 537 C THR B 4 1.066 5.250 3.719 1.00 0.00 C ATOM 538 O THR B 4 -0.046 5.526 3.273 1.00 0.00 O ATOM 539 CB THR B 4 1.082 4.862 6.202 1.00 0.00 C ATOM 540 OG1 THR B 4 2.340 5.370 6.641 1.00 0.00 O ATOM 541 CG2 THR B 4 0.502 3.870 7.245 1.00 0.00 C ATOM 0 HA THR B 4 0.297 3.541 4.743 1.00 0.00 H new ATOM 0 HB THR B 4 0.410 5.715 6.107 1.00 0.00 H new ATOM 0 HG1 THR B 4 3.063 4.881 6.196 1.00 0.00 H new ATOM 0 HG21 THR B 4 0.450 4.356 8.219 1.00 0.00 H new ATOM 0 HG22 THR B 4 -0.498 3.563 6.938 1.00 0.00 H new ATOM 0 HG23 THR B 4 1.146 2.993 7.311 1.00 0.00 H new ATOM 549 N ARG B 5 2.203 5.843 3.253 1.00 0.00 N ATOM 550 CA ARG B 5 2.285 6.847 2.196 1.00 0.00 C ATOM 551 C ARG B 5 1.581 6.390 0.913 1.00 0.00 C ATOM 552 O ARG B 5 0.722 7.122 0.409 1.00 0.00 O ATOM 553 CB ARG B 5 3.765 7.253 1.922 1.00 0.00 C ATOM 554 CG ARG B 5 4.456 8.137 2.987 1.00 0.00 C ATOM 555 CD ARG B 5 3.894 9.565 3.140 1.00 0.00 C ATOM 556 NE ARG B 5 4.713 10.294 4.180 1.00 0.00 N ATOM 557 CZ ARG B 5 4.403 10.423 5.513 1.00 0.00 C ATOM 558 NH1 ARG B 5 3.233 9.973 6.056 1.00 0.00 N ATOM 559 NH2 ARG B 5 5.316 11.031 6.332 1.00 0.00 N ATOM 0 H ARG B 5 3.120 5.610 3.634 1.00 0.00 H new ATOM 0 HA ARG B 5 1.755 7.732 2.548 1.00 0.00 H new ATOM 0 HB2 ARG B 5 4.351 6.341 1.806 1.00 0.00 H new ATOM 0 HB3 ARG B 5 3.802 7.779 0.968 1.00 0.00 H new ATOM 0 HG2 ARG B 5 4.385 7.634 3.951 1.00 0.00 H new ATOM 0 HG3 ARG B 5 5.516 8.208 2.741 1.00 0.00 H new ATOM 0 HD2 ARG B 5 3.936 10.093 2.187 1.00 0.00 H new ATOM 0 HD3 ARG B 5 2.846 9.530 3.439 1.00 0.00 H new ATOM 0 HE ARG B 5 5.578 10.732 3.863 1.00 0.00 H new ATOM 0 HH11 ARG B 5 2.539 9.515 5.465 1.00 0.00 H new ATOM 0 HH12 ARG B 5 3.053 10.095 7.053 1.00 0.00 H new ATOM 0 HH21 ARG B 5 6.197 11.373 5.948 1.00 0.00 H new ATOM 0 HH22 ARG B 5 5.115 11.142 7.326 1.00 0.00 H new ATOM 573 N ARG B 6 1.887 5.158 0.397 1.00 0.00 N ATOM 574 CA ARG B 6 1.244 4.546 -0.762 1.00 0.00 C ATOM 575 C ARG B 6 -0.207 4.161 -0.436 1.00 0.00 C ATOM 576 O ARG B 6 -1.096 4.447 -1.244 1.00 0.00 O ATOM 577 CB ARG B 6 2.006 3.337 -1.383 1.00 0.00 C ATOM 578 CG ARG B 6 2.261 2.121 -0.457 1.00 0.00 C ATOM 579 CD ARG B 6 2.835 0.885 -1.155 1.00 0.00 C ATOM 580 NE ARG B 6 1.752 0.122 -1.882 1.00 0.00 N ATOM 581 CZ ARG B 6 1.561 0.073 -3.238 1.00 0.00 C ATOM 582 NH1 ARG B 6 2.070 1.011 -4.086 1.00 0.00 N ATOM 583 NH2 ARG B 6 0.869 -0.988 -3.762 1.00 0.00 N ATOM 0 H ARG B 6 2.611 4.565 0.803 1.00 0.00 H new ATOM 0 HA ARG B 6 1.263 5.316 -1.533 1.00 0.00 H new ATOM 0 HB2 ARG B 6 1.444 2.991 -2.251 1.00 0.00 H new ATOM 0 HB3 ARG B 6 2.969 3.694 -1.748 1.00 0.00 H new ATOM 0 HG2 ARG B 6 2.946 2.424 0.335 1.00 0.00 H new ATOM 0 HG3 ARG B 6 1.322 1.845 0.023 1.00 0.00 H new ATOM 0 HD2 ARG B 6 3.608 1.188 -1.861 1.00 0.00 H new ATOM 0 HD3 ARG B 6 3.311 0.236 -0.420 1.00 0.00 H new ATOM 0 HE ARG B 6 1.099 -0.409 -1.306 1.00 0.00 H new ATOM 0 HH11 ARG B 6 2.618 1.788 -3.717 1.00 0.00 H new ATOM 0 HH12 ARG B 6 1.903 0.935 -5.089 1.00 0.00 H new ATOM 0 HH21 ARG B 6 0.510 -1.717 -3.146 1.00 0.00 H new ATOM 0 HH22 ARG B 6 0.713 -1.048 -4.768 1.00 0.00 H new ATOM 597 N HIS B 7 -0.467 3.520 0.759 1.00 0.00 N ATOM 598 CA HIS B 7 -1.752 3.089 1.289 1.00 0.00 C ATOM 599 C HIS B 7 -2.774 4.210 1.201 1.00 0.00 C ATOM 600 O HIS B 7 -3.809 3.973 0.606 1.00 0.00 O ATOM 601 CB HIS B 7 -1.681 2.520 2.737 1.00 0.00 C ATOM 602 CG HIS B 7 -3.011 2.137 3.335 1.00 0.00 C ATOM 603 ND1 HIS B 7 -3.415 0.849 3.552 1.00 0.00 N ATOM 604 CD2 HIS B 7 -4.007 2.941 3.774 1.00 0.00 C ATOM 605 CE1 HIS B 7 -4.618 0.881 4.104 1.00 0.00 C ATOM 606 NE2 HIS B 7 -4.998 2.138 4.257 1.00 0.00 N ATOM 0 H HIS B 7 0.293 3.289 1.399 1.00 0.00 H new ATOM 0 HA HIS B 7 -2.070 2.259 0.658 1.00 0.00 H new ATOM 0 HB2 HIS B 7 -1.034 1.643 2.736 1.00 0.00 H new ATOM 0 HB3 HIS B 7 -1.210 3.263 3.381 1.00 0.00 H new ATOM 0 HD2 HIS B 7 -4.016 4.021 3.747 1.00 0.00 H new ATOM 0 HE1 HIS B 7 -5.199 0.015 4.386 1.00 0.00 H new ATOM 0 HE2 HIS B 7 -5.878 2.452 4.665 1.00 0.00 H new ATOM 615 N GLU B 8 -2.510 5.439 1.743 1.00 0.00 N ATOM 616 CA GLU B 8 -3.343 6.643 1.718 1.00 0.00 C ATOM 617 C GLU B 8 -4.066 6.845 0.368 1.00 0.00 C ATOM 618 O GLU B 8 -5.292 6.967 0.355 1.00 0.00 O ATOM 619 CB GLU B 8 -2.505 7.914 2.103 1.00 0.00 C ATOM 620 CG GLU B 8 -2.216 8.085 3.619 1.00 0.00 C ATOM 621 CD GLU B 8 -1.257 9.257 3.864 1.00 0.00 C ATOM 622 OE1 GLU B 8 -1.684 10.429 3.673 1.00 0.00 O ATOM 623 OE2 GLU B 8 -0.088 8.999 4.259 1.00 0.00 O ATOM 0 H GLU B 8 -1.637 5.606 2.243 1.00 0.00 H new ATOM 0 HA GLU B 8 -4.121 6.498 2.468 1.00 0.00 H new ATOM 0 HB2 GLU B 8 -1.554 7.877 1.571 1.00 0.00 H new ATOM 0 HB3 GLU B 8 -3.034 8.799 1.749 1.00 0.00 H new ATOM 0 HG2 GLU B 8 -3.150 8.256 4.154 1.00 0.00 H new ATOM 0 HG3 GLU B 8 -1.784 7.167 4.017 1.00 0.00 H new ATOM 630 N ARG B 9 -3.323 6.838 -0.784 1.00 0.00 N ATOM 631 CA ARG B 9 -3.814 6.972 -2.159 1.00 0.00 C ATOM 632 C ARG B 9 -4.612 5.734 -2.596 1.00 0.00 C ATOM 633 O ARG B 9 -5.759 5.865 -3.020 1.00 0.00 O ATOM 634 CB ARG B 9 -2.676 7.230 -3.207 1.00 0.00 C ATOM 635 CG ARG B 9 -1.699 8.392 -2.897 1.00 0.00 C ATOM 636 CD ARG B 9 -0.560 8.544 -3.924 1.00 0.00 C ATOM 637 NE ARG B 9 0.450 9.526 -3.376 1.00 0.00 N ATOM 638 CZ ARG B 9 1.728 9.228 -2.969 1.00 0.00 C ATOM 639 NH1 ARG B 9 2.283 7.984 -3.088 1.00 0.00 N ATOM 640 NH2 ARG B 9 2.482 10.225 -2.415 1.00 0.00 N ATOM 0 H ARG B 9 -2.309 6.731 -0.755 1.00 0.00 H new ATOM 0 HA ARG B 9 -4.461 7.849 -2.141 1.00 0.00 H new ATOM 0 HB2 ARG B 9 -2.094 6.314 -3.311 1.00 0.00 H new ATOM 0 HB3 ARG B 9 -3.141 7.424 -4.174 1.00 0.00 H new ATOM 0 HG2 ARG B 9 -2.262 9.324 -2.853 1.00 0.00 H new ATOM 0 HG3 ARG B 9 -1.265 8.235 -1.909 1.00 0.00 H new ATOM 0 HD2 ARG B 9 -0.088 7.580 -4.112 1.00 0.00 H new ATOM 0 HD3 ARG B 9 -0.954 8.897 -4.877 1.00 0.00 H new ATOM 0 HE ARG B 9 0.156 10.500 -3.301 1.00 0.00 H new ATOM 0 HH11 ARG B 9 1.742 7.221 -3.496 1.00 0.00 H new ATOM 0 HH12 ARG B 9 3.238 7.819 -2.769 1.00 0.00 H new ATOM 0 HH21 ARG B 9 2.092 11.162 -2.313 1.00 0.00 H new ATOM 0 HH22 ARG B 9 3.434 10.032 -2.104 1.00 0.00 H new ATOM 654 N ARG B 10 -4.014 4.506 -2.490 1.00 0.00 N ATOM 655 CA ARG B 10 -4.560 3.188 -2.820 1.00 0.00 C ATOM 656 C ARG B 10 -5.903 2.919 -2.116 1.00 0.00 C ATOM 657 O ARG B 10 -6.844 2.459 -2.761 1.00 0.00 O ATOM 658 CB ARG B 10 -3.472 2.117 -2.484 1.00 0.00 C ATOM 659 CG ARG B 10 -3.709 0.653 -2.918 1.00 0.00 C ATOM 660 CD ARG B 10 -2.470 -0.233 -2.658 1.00 0.00 C ATOM 661 NE ARG B 10 -2.766 -1.675 -2.979 1.00 0.00 N ATOM 662 CZ ARG B 10 -2.509 -2.322 -4.163 1.00 0.00 C ATOM 663 NH1 ARG B 10 -2.041 -1.699 -5.280 1.00 0.00 N ATOM 664 NH2 ARG B 10 -2.738 -3.667 -4.205 1.00 0.00 N ATOM 0 H ARG B 10 -3.059 4.428 -2.141 1.00 0.00 H new ATOM 0 HA ARG B 10 -4.793 3.140 -3.884 1.00 0.00 H new ATOM 0 HB2 ARG B 10 -2.535 2.447 -2.933 1.00 0.00 H new ATOM 0 HB3 ARG B 10 -3.327 2.122 -1.404 1.00 0.00 H new ATOM 0 HG2 ARG B 10 -4.565 0.248 -2.378 1.00 0.00 H new ATOM 0 HG3 ARG B 10 -3.959 0.625 -3.978 1.00 0.00 H new ATOM 0 HD2 ARG B 10 -1.635 0.115 -3.265 1.00 0.00 H new ATOM 0 HD3 ARG B 10 -2.165 -0.143 -1.615 1.00 0.00 H new ATOM 0 HE ARG B 10 -3.202 -2.228 -2.241 1.00 0.00 H new ATOM 0 HH11 ARG B 10 -1.862 -0.695 -5.267 1.00 0.00 H new ATOM 0 HH12 ARG B 10 -1.870 -2.236 -6.130 1.00 0.00 H new ATOM 0 HH21 ARG B 10 -3.086 -4.151 -3.378 1.00 0.00 H new ATOM 0 HH22 ARG B 10 -2.561 -4.188 -5.064 1.00 0.00 H new ATOM 678 N ARG B 11 -6.019 3.247 -0.791 1.00 0.00 N ATOM 679 CA ARG B 11 -7.143 3.190 0.122 1.00 0.00 C ATOM 680 C ARG B 11 -8.319 3.913 -0.514 1.00 0.00 C ATOM 681 O ARG B 11 -9.345 3.264 -0.689 1.00 0.00 O ATOM 682 CB ARG B 11 -6.760 3.763 1.512 1.00 0.00 C ATOM 683 CG ARG B 11 -7.829 3.671 2.610 1.00 0.00 C ATOM 684 CD ARG B 11 -7.790 4.809 3.627 1.00 0.00 C ATOM 685 NE ARG B 11 -8.828 4.486 4.673 1.00 0.00 N ATOM 686 CZ ARG B 11 -9.249 5.310 5.685 1.00 0.00 C ATOM 687 NH1 ARG B 11 -8.738 6.560 5.890 1.00 0.00 N ATOM 688 NH2 ARG B 11 -10.229 4.843 6.518 1.00 0.00 N ATOM 0 H ARG B 11 -5.198 3.602 -0.301 1.00 0.00 H new ATOM 0 HA ARG B 11 -7.434 2.155 0.301 1.00 0.00 H new ATOM 0 HB2 ARG B 11 -5.867 3.244 1.861 1.00 0.00 H new ATOM 0 HB3 ARG B 11 -6.490 4.811 1.386 1.00 0.00 H new ATOM 0 HG2 ARG B 11 -8.813 3.653 2.141 1.00 0.00 H new ATOM 0 HG3 ARG B 11 -7.710 2.725 3.138 1.00 0.00 H new ATOM 0 HD2 ARG B 11 -6.800 4.894 4.076 1.00 0.00 H new ATOM 0 HD3 ARG B 11 -8.006 5.764 3.148 1.00 0.00 H new ATOM 0 HE ARG B 11 -9.259 3.563 4.622 1.00 0.00 H new ATOM 0 HH11 ARG B 11 -8.008 6.920 5.275 1.00 0.00 H new ATOM 0 HH12 ARG B 11 -9.086 7.134 6.658 1.00 0.00 H new ATOM 0 HH21 ARG B 11 -10.620 3.912 6.374 1.00 0.00 H new ATOM 0 HH22 ARG B 11 -10.569 5.426 7.283 1.00 0.00 H new ATOM 702 N LYS B 12 -8.192 5.228 -0.906 1.00 0.00 N ATOM 703 CA LYS B 12 -9.200 6.052 -1.583 1.00 0.00 C ATOM 704 C LYS B 12 -9.923 5.261 -2.683 1.00 0.00 C ATOM 705 O LYS B 12 -11.150 5.152 -2.645 1.00 0.00 O ATOM 706 CB LYS B 12 -8.638 7.405 -2.139 1.00 0.00 C ATOM 707 CG LYS B 12 -8.229 8.439 -1.060 1.00 0.00 C ATOM 708 CD LYS B 12 -7.558 9.718 -1.620 1.00 0.00 C ATOM 709 CE LYS B 12 -7.113 10.757 -0.568 1.00 0.00 C ATOM 710 NZ LYS B 12 -8.264 11.412 0.106 1.00 0.00 N ATOM 0 H LYS B 12 -7.330 5.747 -0.738 1.00 0.00 H new ATOM 0 HA LYS B 12 -9.925 6.321 -0.814 1.00 0.00 H new ATOM 0 HB2 LYS B 12 -7.770 7.191 -2.763 1.00 0.00 H new ATOM 0 HB3 LYS B 12 -9.392 7.856 -2.785 1.00 0.00 H new ATOM 0 HG2 LYS B 12 -9.116 8.726 -0.495 1.00 0.00 H new ATOM 0 HG3 LYS B 12 -7.545 7.962 -0.358 1.00 0.00 H new ATOM 0 HD2 LYS B 12 -6.686 9.423 -2.203 1.00 0.00 H new ATOM 0 HD3 LYS B 12 -8.253 10.199 -2.308 1.00 0.00 H new ATOM 0 HE2 LYS B 12 -6.488 10.268 0.180 1.00 0.00 H new ATOM 0 HE3 LYS B 12 -6.498 11.517 -1.050 1.00 0.00 H new ATOM 0 HZ1 LYS B 12 -7.913 12.100 0.802 1.00 0.00 H new ATOM 0 HZ2 LYS B 12 -8.847 11.902 -0.602 1.00 0.00 H new ATOM 0 HZ3 LYS B 12 -8.838 10.692 0.590 1.00 0.00 H new ATOM 724 N LEU B 13 -9.157 4.650 -3.638 1.00 0.00 N ATOM 725 CA LEU B 13 -9.638 3.809 -4.726 1.00 0.00 C ATOM 726 C LEU B 13 -10.301 2.531 -4.249 1.00 0.00 C ATOM 727 O LEU B 13 -11.445 2.295 -4.628 1.00 0.00 O ATOM 728 CB LEU B 13 -8.612 3.540 -5.842 1.00 0.00 C ATOM 729 CG LEU B 13 -8.213 4.808 -6.666 1.00 0.00 C ATOM 730 CD1 LEU B 13 -9.365 5.811 -7.001 1.00 0.00 C ATOM 731 CD2 LEU B 13 -6.944 5.502 -6.107 1.00 0.00 C ATOM 0 H LEU B 13 -8.142 4.750 -3.650 1.00 0.00 H new ATOM 0 HA LEU B 13 -10.413 4.418 -5.192 1.00 0.00 H new ATOM 0 HB2 LEU B 13 -7.713 3.111 -5.398 1.00 0.00 H new ATOM 0 HB3 LEU B 13 -9.020 2.792 -6.522 1.00 0.00 H new ATOM 0 HG LEU B 13 -7.961 4.403 -7.646 1.00 0.00 H new ATOM 0 HD11 LEU B 13 -8.964 6.647 -7.574 1.00 0.00 H new ATOM 0 HD12 LEU B 13 -10.131 5.303 -7.587 1.00 0.00 H new ATOM 0 HD13 LEU B 13 -9.804 6.183 -6.075 1.00 0.00 H new ATOM 0 HD21 LEU B 13 -6.710 6.376 -6.715 1.00 0.00 H new ATOM 0 HD22 LEU B 13 -7.123 5.813 -5.078 1.00 0.00 H new ATOM 0 HD23 LEU B 13 -6.106 4.806 -6.135 1.00 0.00 H new ATOM 743 N ALA B 14 -9.618 1.710 -3.392 1.00 0.00 N ATOM 744 CA ALA B 14 -10.093 0.469 -2.782 1.00 0.00 C ATOM 745 C ALA B 14 -11.444 0.642 -2.123 1.00 0.00 C ATOM 746 O ALA B 14 -12.330 -0.185 -2.361 1.00 0.00 O ATOM 747 CB ALA B 14 -9.128 -0.098 -1.727 1.00 0.00 C ATOM 0 H ALA B 14 -8.664 1.929 -3.104 1.00 0.00 H new ATOM 0 HA ALA B 14 -10.163 -0.233 -3.613 1.00 0.00 H new ATOM 0 HB1 ALA B 14 -9.540 -1.019 -1.314 1.00 0.00 H new ATOM 0 HB2 ALA B 14 -8.164 -0.308 -2.191 1.00 0.00 H new ATOM 0 HB3 ALA B 14 -8.994 0.630 -0.927 1.00 0.00 H new ATOM 753 N ILE B 15 -11.637 1.740 -1.316 1.00 0.00 N ATOM 754 CA ILE B 15 -12.896 2.063 -0.681 1.00 0.00 C ATOM 755 C ILE B 15 -13.927 2.284 -1.783 1.00 0.00 C ATOM 756 O ILE B 15 -14.944 1.593 -1.791 1.00 0.00 O ATOM 757 CB ILE B 15 -13.021 3.216 0.349 1.00 0.00 C ATOM 758 CG1 ILE B 15 -11.849 3.415 1.359 1.00 0.00 C ATOM 759 CG2 ILE B 15 -14.348 2.954 1.106 1.00 0.00 C ATOM 760 CD1 ILE B 15 -11.282 4.823 1.270 1.00 0.00 C ATOM 0 H ILE B 15 -10.896 2.409 -1.108 1.00 0.00 H new ATOM 0 HA ILE B 15 -13.044 1.198 -0.034 1.00 0.00 H new ATOM 0 HB ILE B 15 -12.992 4.150 -0.212 1.00 0.00 H new ATOM 0 HG12 ILE B 15 -12.202 3.225 2.373 1.00 0.00 H new ATOM 0 HG13 ILE B 15 -11.062 2.689 1.155 1.00 0.00 H new ATOM 0 HG21 ILE B 15 -14.501 3.733 1.852 1.00 0.00 H new ATOM 0 HG22 ILE B 15 -15.178 2.961 0.399 1.00 0.00 H new ATOM 0 HG23 ILE B 15 -14.300 1.983 1.600 1.00 0.00 H new ATOM 0 HD11 ILE B 15 -10.467 4.933 1.985 1.00 0.00 H new ATOM 0 HD12 ILE B 15 -10.907 5.001 0.262 1.00 0.00 H new ATOM 0 HD13 ILE B 15 -12.065 5.546 1.499 1.00 0.00 H new ATOM 772 N GLU B 16 -13.676 3.254 -2.717 1.00 0.00 N ATOM 773 CA GLU B 16 -14.547 3.628 -3.813 1.00 0.00 C ATOM 774 C GLU B 16 -15.018 2.436 -4.694 1.00 0.00 C ATOM 775 O GLU B 16 -16.115 2.502 -5.254 1.00 0.00 O ATOM 776 CB GLU B 16 -13.879 4.757 -4.684 1.00 0.00 C ATOM 777 CG GLU B 16 -14.814 5.506 -5.666 1.00 0.00 C ATOM 778 CD GLU B 16 -14.052 6.610 -6.408 1.00 0.00 C ATOM 779 OE1 GLU B 16 -13.185 6.275 -7.261 1.00 0.00 O ATOM 780 OE2 GLU B 16 -14.338 7.808 -6.137 1.00 0.00 O ATOM 0 H GLU B 16 -12.817 3.803 -2.701 1.00 0.00 H new ATOM 0 HA GLU B 16 -15.457 4.015 -3.355 1.00 0.00 H new ATOM 0 HB2 GLU B 16 -13.431 5.489 -4.012 1.00 0.00 H new ATOM 0 HB3 GLU B 16 -13.066 4.312 -5.257 1.00 0.00 H new ATOM 0 HG2 GLU B 16 -15.234 4.802 -6.384 1.00 0.00 H new ATOM 0 HG3 GLU B 16 -15.651 5.940 -5.119 1.00 0.00 H new