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 -7.139 -2.867 3.403 1.00 0.00 C HETATM 2 O ACE A 1 -8.183 -3.149 2.820 1.00 0.00 O HETATM 3 CH3 ACE A 1 -6.339 -3.957 4.100 1.00 0.00 C HETATM 0 H1 ACE A 1 -5.342 -4.013 3.663 1.00 0.00 H new HETATM 0 H2 ACE A 1 -6.257 -3.725 5.162 1.00 0.00 H new HETATM 0 H3 ACE A 1 -6.844 -4.915 3.975 1.00 0.00 H new ATOM 7 N ARG A 2 -6.639 -1.631 3.471 1.00 0.00 N ATOM 8 CA ARG A 2 -7.293 -0.450 2.828 1.00 0.00 C ATOM 9 C ARG A 2 -6.715 -0.206 1.390 1.00 0.00 C ATOM 10 O ARG A 2 -6.988 -1.002 0.488 1.00 0.00 O ATOM 11 CB ARG A 2 -7.229 0.730 3.856 1.00 0.00 C ATOM 12 CG ARG A 2 -8.413 0.810 4.858 1.00 0.00 C ATOM 13 CD ARG A 2 -9.713 1.421 4.291 1.00 0.00 C ATOM 14 NE ARG A 2 -9.536 2.875 4.007 1.00 0.00 N ATOM 15 CZ ARG A 2 -10.470 3.695 3.528 1.00 0.00 C ATOM 16 NH1 ARG A 2 -10.139 4.931 3.285 1.00 0.00 N ATOM 17 NH2 ARG A 2 -11.704 3.327 3.291 1.00 0.00 N ATOM 0 H ARG A 2 -5.776 -1.404 3.966 1.00 0.00 H new ATOM 0 HA ARG A 2 -8.352 -0.599 2.616 1.00 0.00 H new ATOM 0 HB2 ARG A 2 -6.302 0.645 4.423 1.00 0.00 H new ATOM 0 HB3 ARG A 2 -7.180 1.668 3.303 1.00 0.00 H new ATOM 0 HG2 ARG A 2 -8.630 -0.195 5.220 1.00 0.00 H new ATOM 0 HG3 ARG A 2 -8.100 1.399 5.720 1.00 0.00 H new ATOM 0 HD2 ARG A 2 -9.997 0.899 3.377 1.00 0.00 H new ATOM 0 HD3 ARG A 2 -10.526 1.281 5.003 1.00 0.00 H new ATOM 0 HE ARG A 2 -8.618 3.277 4.197 1.00 0.00 H new ATOM 0 HH11 ARG A 2 -9.186 5.248 3.462 1.00 0.00 H new ATOM 0 HH12 ARG A 2 -10.833 5.582 2.918 1.00 0.00 H new ATOM 0 HH21 ARG A 2 -11.994 2.366 3.474 1.00 0.00 H new ATOM 0 HH22 ARG A 2 -12.376 4.001 2.924 1.00 0.00 H new ATOM 31 N ALA A 3 -5.902 0.841 1.156 1.00 0.00 N ATOM 32 CA ALA A 3 -5.065 0.956 -0.080 1.00 0.00 C ATOM 33 C ALA A 3 -3.734 0.118 -0.121 1.00 0.00 C ATOM 34 O ALA A 3 -3.030 0.125 -1.133 1.00 0.00 O ATOM 35 CB ALA A 3 -4.766 2.463 -0.211 1.00 0.00 C ATOM 0 H ALA A 3 -5.798 1.626 1.799 1.00 0.00 H new ATOM 0 HA ALA A 3 -5.625 0.528 -0.912 1.00 0.00 H new ATOM 0 HB1 ALA A 3 -4.154 2.637 -1.096 1.00 0.00 H new ATOM 0 HB2 ALA A 3 -5.702 3.013 -0.304 1.00 0.00 H new ATOM 0 HB3 ALA A 3 -4.230 2.806 0.674 1.00 0.00 H new HETATM 41 N DCY A 4 -3.362 -0.544 0.990 1.00 0.00 N HETATM 42 CA DCY A 4 -2.036 -1.183 1.206 1.00 0.00 C HETATM 43 C DCY A 4 -0.764 -0.265 1.047 1.00 0.00 C HETATM 44 O DCY A 4 0.283 -0.728 0.596 1.00 0.00 O HETATM 45 CB DCY A 4 -2.124 -1.809 2.633 1.00 0.00 C HETATM 46 SG DCY A 4 -1.650 -3.546 2.645 1.00 0.00 S HETATM 0 HB3 DCY A 4 -1.477 -1.253 3.312 1.00 0.00 H new HETATM 0 HB2 DCY A 4 -3.142 -1.709 3.009 1.00 0.00 H new HETATM 0 HA DCY A 4 -1.868 -1.910 0.411 1.00 0.00 H new ATOM 51 N ARG A 5 -0.856 1.015 1.456 1.00 0.00 N ATOM 52 CA ARG A 5 0.299 1.967 1.524 1.00 0.00 C ATOM 53 C ARG A 5 1.126 2.009 2.862 1.00 0.00 C ATOM 54 O ARG A 5 2.203 2.607 2.907 1.00 0.00 O ATOM 55 CB ARG A 5 -0.271 3.388 1.205 1.00 0.00 C ATOM 56 CG ARG A 5 0.039 3.920 -0.219 1.00 0.00 C ATOM 57 CD ARG A 5 0.498 5.393 -0.258 1.00 0.00 C ATOM 58 NE ARG A 5 1.870 5.506 0.317 1.00 0.00 N ATOM 59 CZ ARG A 5 2.655 6.577 0.250 1.00 0.00 C ATOM 60 NH1 ARG A 5 3.852 6.495 0.753 1.00 0.00 N ATOM 61 NH2 ARG A 5 2.288 7.712 -0.294 1.00 0.00 N ATOM 0 H ARG A 5 -1.737 1.433 1.754 1.00 0.00 H new ATOM 0 HA ARG A 5 1.032 1.607 0.802 1.00 0.00 H new ATOM 0 HB2 ARG A 5 -1.352 3.367 1.340 1.00 0.00 H new ATOM 0 HB3 ARG A 5 0.127 4.094 1.934 1.00 0.00 H new ATOM 0 HG2 ARG A 5 0.814 3.298 -0.666 1.00 0.00 H new ATOM 0 HG3 ARG A 5 -0.852 3.812 -0.837 1.00 0.00 H new ATOM 0 HD2 ARG A 5 0.492 5.759 -1.285 1.00 0.00 H new ATOM 0 HD3 ARG A 5 -0.196 6.016 0.307 1.00 0.00 H new ATOM 0 HE ARG A 5 2.238 4.689 0.805 1.00 0.00 H new ATOM 0 HH11 ARG A 5 4.166 5.625 1.184 1.00 0.00 H new ATOM 0 HH12 ARG A 5 4.477 7.300 0.716 1.00 0.00 H new ATOM 0 HH21 ARG A 5 1.355 7.807 -0.695 1.00 0.00 H new ATOM 0 HH22 ARG A 5 2.935 8.500 -0.316 1.00 0.00 H new ATOM 75 N PHE A 6 0.572 1.446 3.938 1.00 0.00 N ATOM 76 CA PHE A 6 1.056 1.585 5.343 1.00 0.00 C ATOM 77 C PHE A 6 0.882 0.221 6.087 1.00 0.00 C ATOM 78 O PHE A 6 1.852 -0.290 6.650 1.00 0.00 O ATOM 79 CB PHE A 6 0.440 2.811 6.114 1.00 0.00 C ATOM 80 CG PHE A 6 -0.907 3.406 5.641 1.00 0.00 C ATOM 81 CD1 PHE A 6 -0.916 4.529 4.808 1.00 0.00 C ATOM 82 CD2 PHE A 6 -2.119 2.783 5.958 1.00 0.00 C ATOM 83 CE1 PHE A 6 -2.113 5.011 4.283 1.00 0.00 C ATOM 84 CE2 PHE A 6 -3.316 3.263 5.430 1.00 0.00 C ATOM 85 CZ PHE A 6 -3.311 4.373 4.591 1.00 0.00 C ATOM 0 H PHE A 6 -0.257 0.856 3.869 1.00 0.00 H new ATOM 0 HA PHE A 6 2.119 1.825 5.312 1.00 0.00 H new ATOM 0 HB2 PHE A 6 0.319 2.515 7.156 1.00 0.00 H new ATOM 0 HB3 PHE A 6 1.177 3.614 6.094 1.00 0.00 H new ATOM 0 HD1 PHE A 6 0.012 5.027 4.570 1.00 0.00 H new ATOM 0 HD2 PHE A 6 -2.127 1.926 6.615 1.00 0.00 H new ATOM 0 HE1 PHE A 6 -2.111 5.878 3.639 1.00 0.00 H new ATOM 0 HE2 PHE A 6 -4.248 2.773 5.672 1.00 0.00 H new ATOM 0 HZ PHE A 6 -4.239 4.740 4.178 1.00 0.00 H new ATOM 95 N PHE A 7 -0.310 -0.411 6.035 1.00 0.00 N ATOM 96 CA PHE A 7 -0.535 -1.796 6.556 1.00 0.00 C ATOM 97 C PHE A 7 -0.069 -2.981 5.607 1.00 0.00 C ATOM 98 O PHE A 7 -0.556 -4.105 5.746 1.00 0.00 O ATOM 99 CB PHE A 7 -2.048 -1.913 6.953 1.00 0.00 C ATOM 100 CG PHE A 7 -2.730 -0.790 7.783 1.00 0.00 C ATOM 101 CD1 PHE A 7 -2.086 -0.198 8.877 1.00 0.00 C ATOM 102 CD2 PHE A 7 -3.985 -0.306 7.387 1.00 0.00 C ATOM 103 CE1 PHE A 7 -2.668 0.881 9.539 1.00 0.00 C ATOM 104 CE2 PHE A 7 -4.570 0.766 8.059 1.00 0.00 C ATOM 105 CZ PHE A 7 -3.907 1.364 9.127 1.00 0.00 C ATOM 0 H PHE A 7 -1.146 0.014 5.634 1.00 0.00 H new ATOM 0 HA PHE A 7 0.115 -1.927 7.421 1.00 0.00 H new ATOM 0 HB2 PHE A 7 -2.616 -2.022 6.029 1.00 0.00 H new ATOM 0 HB3 PHE A 7 -2.164 -2.842 7.511 1.00 0.00 H new ATOM 0 HD1 PHE A 7 -1.132 -0.580 9.209 1.00 0.00 H new ATOM 0 HD2 PHE A 7 -4.501 -0.766 6.557 1.00 0.00 H new ATOM 0 HE1 PHE A 7 -2.158 1.343 10.372 1.00 0.00 H new ATOM 0 HE2 PHE A 7 -5.538 1.133 7.751 1.00 0.00 H new ATOM 0 HZ PHE A 7 -4.355 2.204 9.637 1.00 0.00 H new ATOM 115 N CYS A 8 0.877 -2.749 4.671 1.00 0.00 N ATOM 116 CA CYS A 8 1.505 -3.799 3.821 1.00 0.00 C ATOM 117 C CYS A 8 2.965 -4.057 4.284 1.00 0.00 C ATOM 118 O CYS A 8 3.389 -5.246 4.776 1.00 0.00 O ATOM 119 CB CYS A 8 1.463 -3.356 2.335 1.00 0.00 C ATOM 120 SG CYS A 8 -0.054 -3.841 1.491 1.00 0.00 S ATOM 121 OXT CYS A 8 3.783 -2.967 4.146 1.00 0.00 O ATOM 0 H CYS A 8 1.235 -1.814 4.477 1.00 0.00 H new ATOM 0 HA CYS A 8 0.949 -4.731 3.922 1.00 0.00 H new ATOM 0 HB2 CYS A 8 1.570 -2.272 2.283 1.00 0.00 H new ATOM 0 HB3 CYS A 8 2.316 -3.786 1.810 1.00 0.00 H new TER 126 CYS A 8