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 -23:sc= 0.0547 USER MOD Single : B 7 HIS : no HD1:sc= -0.548 X(o=-0.55,f=-0.16) USER MOD Single : B 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 535 N THR B 4 2.416 3.859 5.336 1.00 0.00 N ATOM 536 CA THR B 4 1.327 4.835 5.500 1.00 0.00 C ATOM 537 C THR B 4 1.239 5.857 4.376 1.00 0.00 C ATOM 538 O THR B 4 0.134 6.150 3.919 1.00 0.00 O ATOM 539 CB THR B 4 1.262 5.549 6.868 1.00 0.00 C ATOM 540 OG1 THR B 4 2.536 6.031 7.296 1.00 0.00 O ATOM 541 CG2 THR B 4 0.642 4.608 7.934 1.00 0.00 C ATOM 0 HA THR B 4 0.450 4.190 5.451 1.00 0.00 H new ATOM 0 HB THR B 4 0.623 6.423 6.747 1.00 0.00 H new ATOM 0 HG1 THR B 4 3.245 5.519 6.854 1.00 0.00 H new ATOM 0 HG21 THR B 4 0.602 5.123 8.894 1.00 0.00 H new ATOM 0 HG22 THR B 4 -0.366 4.328 7.630 1.00 0.00 H new ATOM 0 HG23 THR B 4 1.255 3.711 8.028 1.00 0.00 H new ATOM 549 N ARG B 5 2.393 6.396 3.899 1.00 0.00 N ATOM 550 CA ARG B 5 2.534 7.358 2.813 1.00 0.00 C ATOM 551 C ARG B 5 1.938 6.798 1.518 1.00 0.00 C ATOM 552 O ARG B 5 1.152 7.496 0.871 1.00 0.00 O ATOM 553 CB ARG B 5 4.025 7.796 2.644 1.00 0.00 C ATOM 554 CG ARG B 5 4.573 8.774 3.720 1.00 0.00 C ATOM 555 CD ARG B 5 4.649 8.216 5.159 1.00 0.00 C ATOM 556 NE ARG B 5 5.508 9.110 6.012 1.00 0.00 N ATOM 557 CZ ARG B 5 5.932 8.811 7.283 1.00 0.00 C ATOM 558 NH1 ARG B 5 5.409 7.787 8.023 1.00 0.00 N ATOM 559 NH2 ARG B 5 6.921 9.579 7.835 1.00 0.00 N ATOM 0 H ARG B 5 3.296 6.143 4.299 1.00 0.00 H new ATOM 0 HA ARG B 5 1.970 8.256 3.064 1.00 0.00 H new ATOM 0 HB2 ARG B 5 4.648 6.902 2.643 1.00 0.00 H new ATOM 0 HB3 ARG B 5 4.137 8.263 1.666 1.00 0.00 H new ATOM 0 HG2 ARG B 5 5.572 9.092 3.420 1.00 0.00 H new ATOM 0 HG3 ARG B 5 3.944 9.664 3.728 1.00 0.00 H new ATOM 0 HD2 ARG B 5 3.648 8.146 5.584 1.00 0.00 H new ATOM 0 HD3 ARG B 5 5.061 7.207 5.145 1.00 0.00 H new ATOM 0 HE ARG B 5 5.797 10.005 5.616 1.00 0.00 H new ATOM 0 HH11 ARG B 5 4.668 7.204 7.634 1.00 0.00 H new ATOM 0 HH12 ARG B 5 5.760 7.607 8.964 1.00 0.00 H new ATOM 0 HH21 ARG B 5 7.324 10.351 7.304 1.00 0.00 H new ATOM 0 HH22 ARG B 5 7.255 9.379 8.778 1.00 0.00 H new ATOM 573 N ARG B 6 2.252 5.513 1.164 1.00 0.00 N ATOM 574 CA ARG B 6 1.715 4.762 0.042 1.00 0.00 C ATOM 575 C ARG B 6 0.226 4.493 0.314 1.00 0.00 C ATOM 576 O ARG B 6 -0.611 4.842 -0.524 1.00 0.00 O ATOM 577 CB ARG B 6 2.494 3.421 -0.172 1.00 0.00 C ATOM 578 CG ARG B 6 1.833 2.390 -1.121 1.00 0.00 C ATOM 579 CD ARG B 6 2.589 1.062 -1.218 1.00 0.00 C ATOM 580 NE ARG B 6 1.751 0.028 -1.927 1.00 0.00 N ATOM 581 CZ ARG B 6 1.522 -0.052 -3.278 1.00 0.00 C ATOM 582 NH1 ARG B 6 1.901 0.929 -4.143 1.00 0.00 N ATOM 583 NH2 ARG B 6 0.903 -1.169 -3.773 1.00 0.00 N ATOM 0 H ARG B 6 2.926 4.966 1.700 1.00 0.00 H new ATOM 0 HA ARG B 6 1.829 5.342 -0.874 1.00 0.00 H new ATOM 0 HB2 ARG B 6 3.484 3.658 -0.560 1.00 0.00 H new ATOM 0 HB3 ARG B 6 2.637 2.949 0.800 1.00 0.00 H new ATOM 0 HG2 ARG B 6 0.817 2.194 -0.778 1.00 0.00 H new ATOM 0 HG3 ARG B 6 1.755 2.826 -2.117 1.00 0.00 H new ATOM 0 HD2 ARG B 6 3.527 1.209 -1.754 1.00 0.00 H new ATOM 0 HD3 ARG B 6 2.845 0.709 -0.219 1.00 0.00 H new ATOM 0 HE ARG B 6 1.310 -0.683 -1.344 1.00 0.00 H new ATOM 0 HH11 ARG B 6 2.374 1.762 -3.793 1.00 0.00 H new ATOM 0 HH12 ARG B 6 1.712 0.830 -5.140 1.00 0.00 H new ATOM 0 HH21 ARG B 6 0.623 -1.919 -3.141 1.00 0.00 H new ATOM 0 HH22 ARG B 6 0.722 -1.251 -4.774 1.00 0.00 H new ATOM 597 N HIS B 7 -0.106 3.849 1.485 1.00 0.00 N ATOM 598 CA HIS B 7 -1.406 3.460 1.988 1.00 0.00 C ATOM 599 C HIS B 7 -2.443 4.541 1.782 1.00 0.00 C ATOM 600 O HIS B 7 -3.419 4.241 1.125 1.00 0.00 O ATOM 601 CB HIS B 7 -1.395 2.980 3.465 1.00 0.00 C ATOM 602 CG HIS B 7 -2.706 2.440 3.956 1.00 0.00 C ATOM 603 ND1 HIS B 7 -2.993 1.107 4.039 1.00 0.00 N ATOM 604 CD2 HIS B 7 -3.798 3.110 4.384 1.00 0.00 C ATOM 605 CE1 HIS B 7 -4.224 0.978 4.513 1.00 0.00 C ATOM 606 NE2 HIS B 7 -4.731 2.179 4.740 1.00 0.00 N ATOM 0 H HIS B 7 0.628 3.578 2.140 1.00 0.00 H new ATOM 0 HA HIS B 7 -1.688 2.594 1.389 1.00 0.00 H new ATOM 0 HB2 HIS B 7 -0.634 2.207 3.577 1.00 0.00 H new ATOM 0 HB3 HIS B 7 -1.099 3.813 4.102 1.00 0.00 H new ATOM 0 HD2 HIS B 7 -3.912 4.183 4.435 1.00 0.00 H new ATOM 0 HE1 HIS B 7 -4.733 0.041 4.686 1.00 0.00 H new ATOM 0 HE2 HIS B 7 -5.659 2.375 5.116 1.00 0.00 H new ATOM 615 N GLU B 8 -2.265 5.800 2.290 1.00 0.00 N ATOM 616 CA GLU B 8 -3.159 6.949 2.147 1.00 0.00 C ATOM 617 C GLU B 8 -3.789 7.069 0.747 1.00 0.00 C ATOM 618 O GLU B 8 -5.017 7.043 0.646 1.00 0.00 O ATOM 619 CB GLU B 8 -2.468 8.282 2.600 1.00 0.00 C ATOM 620 CG GLU B 8 -2.589 8.595 4.115 1.00 0.00 C ATOM 621 CD GLU B 8 -4.033 8.957 4.497 1.00 0.00 C ATOM 622 OE1 GLU B 8 -4.445 10.116 4.221 1.00 0.00 O ATOM 623 OE2 GLU B 8 -4.742 8.084 5.066 1.00 0.00 O ATOM 0 H GLU B 8 -1.438 6.032 2.840 1.00 0.00 H new ATOM 0 HA GLU B 8 -3.992 6.764 2.825 1.00 0.00 H new ATOM 0 HB2 GLU B 8 -1.411 8.235 2.336 1.00 0.00 H new ATOM 0 HB3 GLU B 8 -2.901 9.109 2.037 1.00 0.00 H new ATOM 0 HG2 GLU B 8 -2.263 7.731 4.694 1.00 0.00 H new ATOM 0 HG3 GLU B 8 -1.925 9.420 4.372 1.00 0.00 H new ATOM 630 N ARG B 9 -2.969 7.151 -0.347 1.00 0.00 N ATOM 631 CA ARG B 9 -3.401 7.230 -1.745 1.00 0.00 C ATOM 632 C ARG B 9 -4.126 5.947 -2.188 1.00 0.00 C ATOM 633 O ARG B 9 -5.280 6.024 -2.621 1.00 0.00 O ATOM 634 CB ARG B 9 -2.249 7.561 -2.757 1.00 0.00 C ATOM 635 CG ARG B 9 -1.613 8.974 -2.673 1.00 0.00 C ATOM 636 CD ARG B 9 -0.639 9.216 -1.504 1.00 0.00 C ATOM 637 NE ARG B 9 -0.076 10.610 -1.635 1.00 0.00 N ATOM 638 CZ ARG B 9 0.950 11.135 -0.888 1.00 0.00 C ATOM 639 NH1 ARG B 9 1.589 10.434 0.094 1.00 0.00 N ATOM 640 NH2 ARG B 9 1.350 12.418 -1.143 1.00 0.00 N ATOM 0 H ARG B 9 -1.953 7.163 -0.255 1.00 0.00 H new ATOM 0 HA ARG B 9 -4.094 8.071 -1.771 1.00 0.00 H new ATOM 0 HB2 ARG B 9 -1.457 6.826 -2.619 1.00 0.00 H new ATOM 0 HB3 ARG B 9 -2.637 7.425 -3.766 1.00 0.00 H new ATOM 0 HG2 ARG B 9 -1.083 9.166 -3.606 1.00 0.00 H new ATOM 0 HG3 ARG B 9 -2.417 9.707 -2.606 1.00 0.00 H new ATOM 0 HD2 ARG B 9 -1.155 9.103 -0.551 1.00 0.00 H new ATOM 0 HD3 ARG B 9 0.164 8.479 -1.521 1.00 0.00 H new ATOM 0 HE ARG B 9 -0.494 11.216 -2.341 1.00 0.00 H new ATOM 0 HH11 ARG B 9 1.309 9.475 0.300 1.00 0.00 H new ATOM 0 HH12 ARG B 9 2.346 10.869 0.621 1.00 0.00 H new ATOM 0 HH21 ARG B 9 0.889 12.960 -1.873 1.00 0.00 H new ATOM 0 HH22 ARG B 9 2.110 12.832 -0.603 1.00 0.00 H new ATOM 654 N ARG B 10 -3.470 4.748 -2.062 1.00 0.00 N ATOM 655 CA ARG B 10 -3.968 3.409 -2.393 1.00 0.00 C ATOM 656 C ARG B 10 -5.308 3.106 -1.698 1.00 0.00 C ATOM 657 O ARG B 10 -6.201 2.606 -2.365 1.00 0.00 O ATOM 658 CB ARG B 10 -2.881 2.326 -2.083 1.00 0.00 C ATOM 659 CG ARG B 10 -3.215 0.854 -2.444 1.00 0.00 C ATOM 660 CD ARG B 10 -2.009 -0.104 -2.330 1.00 0.00 C ATOM 661 NE ARG B 10 -2.434 -1.555 -2.436 1.00 0.00 N ATOM 662 CZ ARG B 10 -2.628 -2.285 -3.580 1.00 0.00 C ATOM 663 NH1 ARG B 10 -2.465 -1.779 -4.835 1.00 0.00 N ATOM 664 NH2 ARG B 10 -2.979 -3.600 -3.427 1.00 0.00 N ATOM 0 H ARG B 10 -2.517 4.712 -1.700 1.00 0.00 H new ATOM 0 HA ARG B 10 -4.168 3.379 -3.464 1.00 0.00 H new ATOM 0 HB2 ARG B 10 -1.969 2.604 -2.611 1.00 0.00 H new ATOM 0 HB3 ARG B 10 -2.657 2.369 -1.017 1.00 0.00 H new ATOM 0 HG2 ARG B 10 -4.011 0.501 -1.789 1.00 0.00 H new ATOM 0 HG3 ARG B 10 -3.601 0.818 -3.463 1.00 0.00 H new ATOM 0 HD2 ARG B 10 -1.289 0.123 -3.116 1.00 0.00 H new ATOM 0 HD3 ARG B 10 -1.504 0.059 -1.378 1.00 0.00 H new ATOM 0 HE ARG B 10 -2.594 -2.044 -1.555 1.00 0.00 H new ATOM 0 HH11 ARG B 10 -2.184 -0.807 -4.960 1.00 0.00 H new ATOM 0 HH12 ARG B 10 -2.624 -2.373 -5.649 1.00 0.00 H new ATOM 0 HH21 ARG B 10 -3.085 -3.994 -2.492 1.00 0.00 H new ATOM 0 HH22 ARG B 10 -3.135 -4.185 -4.248 1.00 0.00 H new ATOM 678 N ARG B 11 -5.486 3.422 -0.378 1.00 0.00 N ATOM 679 CA ARG B 11 -6.642 3.293 0.497 1.00 0.00 C ATOM 680 C ARG B 11 -7.836 3.988 -0.134 1.00 0.00 C ATOM 681 O ARG B 11 -8.788 3.289 -0.458 1.00 0.00 O ATOM 682 CB ARG B 11 -6.337 3.793 1.937 1.00 0.00 C ATOM 683 CG ARG B 11 -7.464 3.662 2.981 1.00 0.00 C ATOM 684 CD ARG B 11 -7.467 4.782 4.022 1.00 0.00 C ATOM 685 NE ARG B 11 -8.535 4.465 5.038 1.00 0.00 N ATOM 686 CZ ARG B 11 -8.846 5.231 6.133 1.00 0.00 C ATOM 687 NH1 ARG B 11 -8.166 6.369 6.466 1.00 0.00 N ATOM 688 NH2 ARG B 11 -9.886 4.831 6.927 1.00 0.00 N ATOM 0 H ARG B 11 -4.705 3.824 0.141 1.00 0.00 H new ATOM 0 HA ARG B 11 -6.890 2.237 0.607 1.00 0.00 H new ATOM 0 HB2 ARG B 11 -5.468 3.248 2.307 1.00 0.00 H new ATOM 0 HB3 ARG B 11 -6.052 4.843 1.877 1.00 0.00 H new ATOM 0 HG2 ARG B 11 -8.425 3.653 2.467 1.00 0.00 H new ATOM 0 HG3 ARG B 11 -7.366 2.704 3.491 1.00 0.00 H new ATOM 0 HD2 ARG B 11 -6.492 4.858 4.504 1.00 0.00 H new ATOM 0 HD3 ARG B 11 -7.664 5.743 3.548 1.00 0.00 H new ATOM 0 HE ARG B 11 -9.072 3.609 4.900 1.00 0.00 H new ATOM 0 HH11 ARG B 11 -7.386 6.685 5.889 1.00 0.00 H new ATOM 0 HH12 ARG B 11 -8.438 6.903 7.292 1.00 0.00 H new ATOM 0 HH21 ARG B 11 -10.406 3.984 6.698 1.00 0.00 H new ATOM 0 HH22 ARG B 11 -10.141 5.380 7.748 1.00 0.00 H new ATOM 702 N LYS B 12 -7.803 5.346 -0.345 1.00 0.00 N ATOM 703 CA LYS B 12 -8.843 6.176 -0.971 1.00 0.00 C ATOM 704 C LYS B 12 -9.415 5.502 -2.227 1.00 0.00 C ATOM 705 O LYS B 12 -10.626 5.286 -2.326 1.00 0.00 O ATOM 706 CB LYS B 12 -8.351 7.633 -1.253 1.00 0.00 C ATOM 707 CG LYS B 12 -8.039 8.461 0.023 1.00 0.00 C ATOM 708 CD LYS B 12 -7.271 9.781 -0.216 1.00 0.00 C ATOM 709 CE LYS B 12 -6.829 10.483 1.083 1.00 0.00 C ATOM 710 NZ LYS B 12 -6.059 11.715 0.785 1.00 0.00 N ATOM 0 H LYS B 12 -6.997 5.903 -0.060 1.00 0.00 H new ATOM 0 HA LYS B 12 -9.658 6.266 -0.253 1.00 0.00 H new ATOM 0 HB2 LYS B 12 -7.454 7.588 -1.871 1.00 0.00 H new ATOM 0 HB3 LYS B 12 -9.112 8.155 -1.833 1.00 0.00 H new ATOM 0 HG2 LYS B 12 -8.979 8.693 0.524 1.00 0.00 H new ATOM 0 HG3 LYS B 12 -7.458 7.841 0.705 1.00 0.00 H new ATOM 0 HD2 LYS B 12 -6.391 9.574 -0.825 1.00 0.00 H new ATOM 0 HD3 LYS B 12 -7.902 10.460 -0.789 1.00 0.00 H new ATOM 0 HE2 LYS B 12 -7.705 10.733 1.682 1.00 0.00 H new ATOM 0 HE3 LYS B 12 -6.219 9.804 1.679 1.00 0.00 H new ATOM 0 HZ1 LYS B 12 -5.773 12.169 1.676 1.00 0.00 H new ATOM 0 HZ2 LYS B 12 -5.212 11.470 0.233 1.00 0.00 H new ATOM 0 HZ3 LYS B 12 -6.652 12.371 0.237 1.00 0.00 H new ATOM 724 N LEU B 13 -8.514 5.100 -3.166 1.00 0.00 N ATOM 725 CA LEU B 13 -8.742 4.377 -4.399 1.00 0.00 C ATOM 726 C LEU B 13 -9.367 2.991 -4.153 1.00 0.00 C ATOM 727 O LEU B 13 -10.434 2.709 -4.693 1.00 0.00 O ATOM 728 CB LEU B 13 -7.399 4.310 -5.180 1.00 0.00 C ATOM 729 CG LEU B 13 -7.370 3.417 -6.448 1.00 0.00 C ATOM 730 CD1 LEU B 13 -8.413 3.838 -7.524 1.00 0.00 C ATOM 731 CD2 LEU B 13 -5.906 3.273 -6.944 1.00 0.00 C ATOM 0 H LEU B 13 -7.522 5.306 -3.044 1.00 0.00 H new ATOM 0 HA LEU B 13 -9.476 4.906 -5.007 1.00 0.00 H new ATOM 0 HB2 LEU B 13 -7.125 5.324 -5.472 1.00 0.00 H new ATOM 0 HB3 LEU B 13 -6.627 3.956 -4.497 1.00 0.00 H new ATOM 0 HG LEU B 13 -7.709 2.413 -6.191 1.00 0.00 H new ATOM 0 HD11 LEU B 13 -8.338 3.172 -8.383 1.00 0.00 H new ATOM 0 HD12 LEU B 13 -9.416 3.775 -7.102 1.00 0.00 H new ATOM 0 HD13 LEU B 13 -8.216 4.862 -7.841 1.00 0.00 H new ATOM 0 HD21 LEU B 13 -5.884 2.646 -7.835 1.00 0.00 H new ATOM 0 HD22 LEU B 13 -5.504 4.258 -7.183 1.00 0.00 H new ATOM 0 HD23 LEU B 13 -5.300 2.814 -6.162 1.00 0.00 H new ATOM 743 N ALA B 14 -8.719 2.108 -3.337 1.00 0.00 N ATOM 744 CA ALA B 14 -9.107 0.761 -2.935 1.00 0.00 C ATOM 745 C ALA B 14 -10.513 0.712 -2.413 1.00 0.00 C ATOM 746 O ALA B 14 -11.280 -0.153 -2.847 1.00 0.00 O ATOM 747 CB ALA B 14 -8.218 0.150 -1.837 1.00 0.00 C ATOM 0 H ALA B 14 -7.828 2.367 -2.914 1.00 0.00 H new ATOM 0 HA ALA B 14 -8.998 0.184 -3.853 1.00 0.00 H new ATOM 0 HB1 ALA B 14 -8.574 -0.852 -1.596 1.00 0.00 H new ATOM 0 HB2 ALA B 14 -7.189 0.094 -2.192 1.00 0.00 H new ATOM 0 HB3 ALA B 14 -8.261 0.775 -0.945 1.00 0.00 H new ATOM 753 N ILE B 15 -10.878 1.664 -1.486 1.00 0.00 N ATOM 754 CA ILE B 15 -12.200 1.780 -0.919 1.00 0.00 C ATOM 755 C ILE B 15 -13.192 1.911 -2.078 1.00 0.00 C ATOM 756 O ILE B 15 -14.090 1.076 -2.187 1.00 0.00 O ATOM 757 CB ILE B 15 -12.507 2.839 0.166 1.00 0.00 C ATOM 758 CG1 ILE B 15 -11.471 2.982 1.324 1.00 0.00 C ATOM 759 CG2 ILE B 15 -13.879 2.429 0.762 1.00 0.00 C ATOM 760 CD1 ILE B 15 -11.037 4.421 1.528 1.00 0.00 C ATOM 0 H ILE B 15 -10.226 2.364 -1.131 1.00 0.00 H new ATOM 0 HA ILE B 15 -12.292 0.869 -0.327 1.00 0.00 H new ATOM 0 HB ILE B 15 -12.482 3.815 -0.318 1.00 0.00 H new ATOM 0 HG12 ILE B 15 -11.906 2.601 2.248 1.00 0.00 H new ATOM 0 HG13 ILE B 15 -10.597 2.368 1.106 1.00 0.00 H new ATOM 0 HG21 ILE B 15 -14.163 3.136 1.541 1.00 0.00 H new ATOM 0 HG22 ILE B 15 -14.633 2.433 -0.025 1.00 0.00 H new ATOM 0 HG23 ILE B 15 -13.806 1.429 1.189 1.00 0.00 H new ATOM 0 HD11 ILE B 15 -10.316 4.471 2.344 1.00 0.00 H new ATOM 0 HD12 ILE B 15 -10.577 4.795 0.614 1.00 0.00 H new ATOM 0 HD13 ILE B 15 -11.906 5.032 1.773 1.00 0.00 H new ATOM 772 N GLU B 16 -13.005 2.955 -2.948 1.00 0.00 N ATOM 773 CA GLU B 16 -13.812 3.282 -4.108 1.00 0.00 C ATOM 774 C GLU B 16 -14.062 2.080 -5.052 1.00 0.00 C ATOM 775 O GLU B 16 -15.176 1.950 -5.570 1.00 0.00 O ATOM 776 CB GLU B 16 -13.178 4.471 -4.918 1.00 0.00 C ATOM 777 CG GLU B 16 -14.115 5.175 -5.930 1.00 0.00 C ATOM 778 CD GLU B 16 -13.388 6.328 -6.632 1.00 0.00 C ATOM 779 OE1 GLU B 16 -12.468 6.051 -7.448 1.00 0.00 O ATOM 780 OE2 GLU B 16 -13.756 7.505 -6.366 1.00 0.00 O ATOM 0 H GLU B 16 -12.234 3.612 -2.826 1.00 0.00 H new ATOM 0 HA GLU B 16 -14.783 3.580 -3.713 1.00 0.00 H new ATOM 0 HB2 GLU B 16 -12.815 5.216 -4.209 1.00 0.00 H new ATOM 0 HB3 GLU B 16 -12.309 4.095 -5.458 1.00 0.00 H new ATOM 0 HG2 GLU B 16 -14.465 4.455 -6.670 1.00 0.00 H new ATOM 0 HG3 GLU B 16 -14.996 5.555 -5.413 1.00 0.00 H new