USER MOD reduce.3.24.130724 H: found=0, std=0, add=59, rem=0, adj=0 USER MOD reduce.3.24.130724 removed 60 hydrogens (7 hets) HETATM 1 C ACE A 1 -7.141 -2.860 3.436 1.00 0.00 C HETATM 2 O ACE A 1 -8.241 -3.111 2.944 1.00 0.00 O HETATM 3 CH3 ACE A 1 -6.322 -3.951 4.103 1.00 0.00 C HETATM 0 H1 ACE A 1 -5.366 -4.054 3.589 1.00 0.00 H new HETATM 0 H2 ACE A 1 -6.146 -3.688 5.146 1.00 0.00 H new HETATM 0 H3 ACE A 1 -6.865 -4.895 4.053 1.00 0.00 H new ATOM 7 N ARG A 2 -6.587 -1.644 3.443 1.00 0.00 N ATOM 8 CA ARG A 2 -7.247 -0.452 2.831 1.00 0.00 C ATOM 9 C ARG A 2 -6.713 -0.179 1.386 1.00 0.00 C ATOM 10 O ARG A 2 -7.044 -0.937 0.473 1.00 0.00 O ATOM 11 CB ARG A 2 -7.230 0.717 3.876 1.00 0.00 C ATOM 12 CG ARG A 2 -8.503 0.800 4.760 1.00 0.00 C ATOM 13 CD ARG A 2 -9.660 1.671 4.194 1.00 0.00 C ATOM 14 NE ARG A 2 -10.126 1.314 2.817 1.00 0.00 N ATOM 15 CZ ARG A 2 -10.888 0.268 2.493 1.00 0.00 C ATOM 16 NH1 ARG A 2 -11.117 0.041 1.231 1.00 0.00 N ATOM 17 NH2 ARG A 2 -11.403 -0.552 3.373 1.00 0.00 N ATOM 0 H ARG A 2 -5.680 -1.443 3.864 1.00 0.00 H new ATOM 0 HA ARG A 2 -8.305 -0.615 2.628 1.00 0.00 H new ATOM 0 HB2 ARG A 2 -6.360 0.599 4.522 1.00 0.00 H new ATOM 0 HB3 ARG A 2 -7.108 1.661 3.346 1.00 0.00 H new ATOM 0 HG2 ARG A 2 -8.878 -0.211 4.920 1.00 0.00 H new ATOM 0 HG3 ARG A 2 -8.220 1.194 5.736 1.00 0.00 H new ATOM 0 HD2 ARG A 2 -10.509 1.602 4.874 1.00 0.00 H new ATOM 0 HD3 ARG A 2 -9.338 2.712 4.190 1.00 0.00 H new ATOM 0 HE ARG A 2 -9.834 1.927 2.056 1.00 0.00 H new ATOM 0 HH11 ARG A 2 -10.717 0.655 0.522 1.00 0.00 H new ATOM 0 HH12 ARG A 2 -11.696 -0.751 0.952 1.00 0.00 H new ATOM 0 HH21 ARG A 2 -11.229 -0.408 4.368 1.00 0.00 H new ATOM 0 HH22 ARG A 2 -11.979 -1.335 3.064 1.00 0.00 H new ATOM 31 N ALA A 3 -5.883 0.853 1.156 1.00 0.00 N ATOM 32 CA ALA A 3 -5.051 0.953 -0.083 1.00 0.00 C ATOM 33 C ALA A 3 -3.727 0.104 -0.120 1.00 0.00 C ATOM 34 O ALA A 3 -3.019 0.103 -1.129 1.00 0.00 O ATOM 35 CB ALA A 3 -4.744 2.458 -0.233 1.00 0.00 C ATOM 0 H ALA A 3 -5.762 1.633 1.802 1.00 0.00 H new ATOM 0 HA ALA A 3 -5.617 0.522 -0.909 1.00 0.00 H new ATOM 0 HB1 ALA A 3 -4.135 2.618 -1.122 1.00 0.00 H new ATOM 0 HB2 ALA A 3 -5.678 3.012 -0.328 1.00 0.00 H new ATOM 0 HB3 ALA A 3 -4.203 2.808 0.646 1.00 0.00 H new HETATM 41 N DCY A 4 -3.364 -0.560 0.994 1.00 0.00 N HETATM 42 CA DCY A 4 -2.031 -1.181 1.231 1.00 0.00 C HETATM 43 C DCY A 4 -0.767 -0.256 1.061 1.00 0.00 C HETATM 44 O DCY A 4 0.288 -0.717 0.625 1.00 0.00 O HETATM 45 CB DCY A 4 -2.118 -1.777 2.670 1.00 0.00 C HETATM 46 SG DCY A 4 -1.709 -3.530 2.710 1.00 0.00 S HETATM 0 HB3 DCY A 4 -1.440 -1.233 3.328 1.00 0.00 H new HETATM 0 HB2 DCY A 4 -3.125 -1.632 3.060 1.00 0.00 H new HETATM 0 HA DCY A 4 -1.854 -1.921 0.451 1.00 0.00 H new ATOM 51 N ARG A 5 -0.872 1.030 1.448 1.00 0.00 N ATOM 52 CA ARG A 5 0.277 1.989 1.521 1.00 0.00 C ATOM 53 C ARG A 5 1.099 2.033 2.861 1.00 0.00 C ATOM 54 O ARG A 5 2.186 2.615 2.906 1.00 0.00 O ATOM 55 CB ARG A 5 -0.304 3.406 1.205 1.00 0.00 C ATOM 56 CG ARG A 5 0.005 3.938 -0.220 1.00 0.00 C ATOM 57 CD ARG A 5 0.469 5.409 -0.259 1.00 0.00 C ATOM 58 NE ARG A 5 1.842 5.516 0.315 1.00 0.00 N ATOM 59 CZ ARG A 5 2.634 6.584 0.241 1.00 0.00 C ATOM 60 NH1 ARG A 5 3.831 6.498 0.744 1.00 0.00 N ATOM 61 NH2 ARG A 5 2.273 7.716 -0.311 1.00 0.00 N ATOM 0 H ARG A 5 -1.760 1.449 1.724 1.00 0.00 H new ATOM 0 HA ARG A 5 1.015 1.636 0.800 1.00 0.00 H new ATOM 0 HB2 ARG A 5 -1.385 3.377 1.339 1.00 0.00 H new ATOM 0 HB3 ARG A 5 0.089 4.114 1.934 1.00 0.00 H new ATOM 0 HG2 ARG A 5 0.777 3.313 -0.669 1.00 0.00 H new ATOM 0 HG3 ARG A 5 -0.888 3.834 -0.836 1.00 0.00 H new ATOM 0 HD2 ARG A 5 0.463 5.776 -1.286 1.00 0.00 H new ATOM 0 HD3 ARG A 5 -0.222 6.034 0.306 1.00 0.00 H new ATOM 0 HE ARG A 5 2.206 4.700 0.807 1.00 0.00 H new ATOM 0 HH11 ARG A 5 4.140 5.629 1.180 1.00 0.00 H new ATOM 0 HH12 ARG A 5 4.461 7.299 0.702 1.00 0.00 H new ATOM 0 HH21 ARG A 5 1.341 7.813 -0.714 1.00 0.00 H new ATOM 0 HH22 ARG A 5 2.924 8.501 -0.338 1.00 0.00 H new ATOM 75 N PHE A 6 0.531 1.487 3.938 1.00 0.00 N ATOM 76 CA PHE A 6 1.011 1.615 5.344 1.00 0.00 C ATOM 77 C PHE A 6 0.873 0.236 6.066 1.00 0.00 C ATOM 78 O PHE A 6 1.850 -0.258 6.629 1.00 0.00 O ATOM 79 CB PHE A 6 0.356 2.810 6.130 1.00 0.00 C ATOM 80 CG PHE A 6 -0.987 3.404 5.639 1.00 0.00 C ATOM 81 CD1 PHE A 6 -0.992 4.589 4.893 1.00 0.00 C ATOM 82 CD2 PHE A 6 -2.190 2.722 5.843 1.00 0.00 C ATOM 83 CE1 PHE A 6 -2.178 5.073 4.345 1.00 0.00 C ATOM 84 CE2 PHE A 6 -3.375 3.201 5.289 1.00 0.00 C ATOM 85 CZ PHE A 6 -3.367 4.375 4.540 1.00 0.00 C ATOM 0 H PHE A 6 -0.312 0.917 3.867 1.00 0.00 H new ATOM 0 HA PHE A 6 2.068 1.882 5.320 1.00 0.00 H new ATOM 0 HB2 PHE A 6 0.211 2.483 7.159 1.00 0.00 H new ATOM 0 HB3 PHE A 6 1.083 3.622 6.153 1.00 0.00 H new ATOM 0 HD1 PHE A 6 -0.070 5.131 4.741 1.00 0.00 H new ATOM 0 HD2 PHE A 6 -2.201 1.818 6.434 1.00 0.00 H new ATOM 0 HE1 PHE A 6 -2.175 5.987 3.770 1.00 0.00 H new ATOM 0 HE2 PHE A 6 -4.299 2.662 5.440 1.00 0.00 H new ATOM 0 HZ PHE A 6 -4.286 4.745 4.109 1.00 0.00 H new ATOM 95 N PHE A 7 -0.305 -0.421 6.004 1.00 0.00 N ATOM 96 CA PHE A 7 -0.519 -1.796 6.554 1.00 0.00 C ATOM 97 C PHE A 7 -0.065 -2.991 5.614 1.00 0.00 C ATOM 98 O PHE A 7 -0.581 -4.102 5.747 1.00 0.00 O ATOM 99 CB PHE A 7 -2.028 -1.906 6.973 1.00 0.00 C ATOM 100 CG PHE A 7 -2.712 -0.767 7.780 1.00 0.00 C ATOM 101 CD1 PHE A 7 -3.997 -0.345 7.415 1.00 0.00 C ATOM 102 CD2 PHE A 7 -2.045 -0.099 8.816 1.00 0.00 C ATOM 103 CE1 PHE A 7 -4.591 0.743 8.053 1.00 0.00 C ATOM 104 CE2 PHE A 7 -2.635 0.997 9.444 1.00 0.00 C ATOM 105 CZ PHE A 7 -3.907 1.417 9.060 1.00 0.00 C ATOM 0 H PHE A 7 -1.139 -0.022 5.574 1.00 0.00 H new ATOM 0 HA PHE A 7 0.141 -1.915 7.413 1.00 0.00 H new ATOM 0 HB2 PHE A 7 -2.606 -2.043 6.059 1.00 0.00 H new ATOM 0 HB3 PHE A 7 -2.133 -2.821 7.557 1.00 0.00 H new ATOM 0 HD1 PHE A 7 -4.531 -0.866 6.634 1.00 0.00 H new ATOM 0 HD2 PHE A 7 -1.068 -0.435 9.130 1.00 0.00 H new ATOM 0 HE1 PHE A 7 -5.582 1.063 7.766 1.00 0.00 H new ATOM 0 HE2 PHE A 7 -2.107 1.520 10.227 1.00 0.00 H new ATOM 0 HZ PHE A 7 -4.363 2.267 9.545 1.00 0.00 H new ATOM 115 N CYS A 8 0.899 -2.783 4.692 1.00 0.00 N ATOM 116 CA CYS A 8 1.490 -3.845 3.828 1.00 0.00 C ATOM 117 C CYS A 8 2.955 -4.116 4.266 1.00 0.00 C ATOM 118 O CYS A 8 3.339 -5.241 4.918 1.00 0.00 O ATOM 119 CB CYS A 8 1.403 -3.418 2.341 1.00 0.00 C ATOM 120 SG CYS A 8 -0.141 -3.902 1.541 1.00 0.00 S ATOM 121 OXT CYS A 8 3.821 -3.111 3.932 1.00 0.00 O ATOM 0 H CYS A 8 1.299 -1.861 4.519 1.00 0.00 H new ATOM 0 HA CYS A 8 0.930 -4.773 3.940 1.00 0.00 H new ATOM 0 HB2 CYS A 8 1.513 -2.336 2.275 1.00 0.00 H new ATOM 0 HB3 CYS A 8 2.238 -3.857 1.796 1.00 0.00 H new TER 126 CYS A 8