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 -8.028 -2.365 3.908 1.00 0.00 C HETATM 2 O ACE A 1 -9.182 -1.962 4.055 1.00 0.00 O HETATM 3 CH3 ACE A 1 -7.628 -3.764 4.340 1.00 0.00 C HETATM 0 H1 ACE A 1 -7.263 -4.321 3.477 1.00 0.00 H new HETATM 0 H2 ACE A 1 -6.841 -3.702 5.091 1.00 0.00 H new HETATM 0 H3 ACE A 1 -8.493 -4.276 4.762 1.00 0.00 H new ATOM 7 N ARG A 2 -7.045 -1.629 3.388 1.00 0.00 N ATOM 8 CA ARG A 2 -7.258 -0.251 2.853 1.00 0.00 C ATOM 9 C ARG A 2 -6.729 -0.185 1.373 1.00 0.00 C ATOM 10 O ARG A 2 -7.174 -0.962 0.527 1.00 0.00 O ATOM 11 CB ARG A 2 -6.666 0.725 3.925 1.00 0.00 C ATOM 12 CG ARG A 2 -6.919 2.248 3.726 1.00 0.00 C ATOM 13 CD ARG A 2 -8.122 2.847 4.481 1.00 0.00 C ATOM 14 NE ARG A 2 -9.419 2.427 3.882 1.00 0.00 N ATOM 15 CZ ARG A 2 -10.623 2.780 4.332 1.00 0.00 C ATOM 16 NH1 ARG A 2 -11.672 2.313 3.719 1.00 0.00 N ATOM 17 NH2 ARG A 2 -10.809 3.576 5.357 1.00 0.00 N ATOM 0 H ARG A 2 -6.080 -1.953 3.318 1.00 0.00 H new ATOM 0 HA ARG A 2 -8.295 0.061 2.730 1.00 0.00 H new ATOM 0 HB2 ARG A 2 -7.068 0.441 4.897 1.00 0.00 H new ATOM 0 HB3 ARG A 2 -5.589 0.565 3.967 1.00 0.00 H new ATOM 0 HG2 ARG A 2 -6.022 2.786 4.031 1.00 0.00 H new ATOM 0 HG3 ARG A 2 -7.056 2.435 2.661 1.00 0.00 H new ATOM 0 HD2 ARG A 2 -8.087 2.536 5.525 1.00 0.00 H new ATOM 0 HD3 ARG A 2 -8.052 3.935 4.470 1.00 0.00 H new ATOM 0 HE ARG A 2 -9.383 1.821 3.062 1.00 0.00 H new ATOM 0 HH11 ARG A 2 -11.560 1.694 2.916 1.00 0.00 H new ATOM 0 HH12 ARG A 2 -12.606 2.566 4.041 1.00 0.00 H new ATOM 0 HH21 ARG A 2 -10.007 3.961 5.856 1.00 0.00 H new ATOM 0 HH22 ARG A 2 -11.756 3.811 5.655 1.00 0.00 H new ATOM 31 N ALA A 3 -5.785 0.714 1.048 1.00 0.00 N ATOM 32 CA ALA A 3 -5.022 0.687 -0.237 1.00 0.00 C ATOM 33 C ALA A 3 -3.654 -0.090 -0.231 1.00 0.00 C ATOM 34 O ALA A 3 -2.958 -0.125 -1.248 1.00 0.00 O ATOM 35 CB ALA A 3 -4.801 2.175 -0.581 1.00 0.00 C ATOM 0 H ALA A 3 -5.520 1.485 1.661 1.00 0.00 H new ATOM 0 HA ALA A 3 -5.599 0.126 -0.973 1.00 0.00 H new ATOM 0 HB1 ALA A 3 -4.245 2.254 -1.515 1.00 0.00 H new ATOM 0 HB2 ALA A 3 -5.766 2.670 -0.690 1.00 0.00 H new ATOM 0 HB3 ALA A 3 -4.236 2.653 0.219 1.00 0.00 H new HETATM 41 N DCY A 4 -3.242 -0.659 0.917 1.00 0.00 N HETATM 42 CA DCY A 4 -1.883 -1.219 1.149 1.00 0.00 C HETATM 43 C DCY A 4 -0.671 -0.223 1.011 1.00 0.00 C HETATM 44 O DCY A 4 0.397 -0.622 0.547 1.00 0.00 O HETATM 45 CB DCY A 4 -1.936 -1.865 2.567 1.00 0.00 C HETATM 46 SG DCY A 4 -1.419 -3.592 2.549 1.00 0.00 S HETATM 0 HB3 DCY A 4 -1.294 -1.302 3.245 1.00 0.00 H new HETATM 0 HB2 DCY A 4 -2.951 -1.796 2.958 1.00 0.00 H new HETATM 0 HA DCY A 4 -1.670 -1.931 0.351 1.00 0.00 H new ATOM 51 N ARG A 5 -0.818 1.039 1.463 1.00 0.00 N ATOM 52 CA ARG A 5 0.327 1.979 1.674 1.00 0.00 C ATOM 53 C ARG A 5 1.055 1.778 3.044 1.00 0.00 C ATOM 54 O ARG A 5 2.282 1.680 3.078 1.00 0.00 O ATOM 55 CB ARG A 5 -0.160 3.452 1.509 1.00 0.00 C ATOM 56 CG ARG A 5 -0.173 3.970 0.053 1.00 0.00 C ATOM 57 CD ARG A 5 -0.490 5.478 -0.024 1.00 0.00 C ATOM 58 NE ARG A 5 -0.931 5.826 -1.402 1.00 0.00 N ATOM 59 CZ ARG A 5 -1.033 7.060 -1.895 1.00 0.00 C ATOM 60 NH1 ARG A 5 -1.589 7.209 -3.063 1.00 0.00 N ATOM 61 NH2 ARG A 5 -0.602 8.132 -1.276 1.00 0.00 N ATOM 0 H ARG A 5 -1.725 1.444 1.694 1.00 0.00 H new ATOM 0 HA ARG A 5 1.070 1.751 0.910 1.00 0.00 H new ATOM 0 HB2 ARG A 5 -1.167 3.535 1.919 1.00 0.00 H new ATOM 0 HB3 ARG A 5 0.481 4.101 2.105 1.00 0.00 H new ATOM 0 HG2 ARG A 5 0.796 3.780 -0.408 1.00 0.00 H new ATOM 0 HG3 ARG A 5 -0.914 3.415 -0.522 1.00 0.00 H new ATOM 0 HD2 ARG A 5 -1.270 5.733 0.693 1.00 0.00 H new ATOM 0 HD3 ARG A 5 0.392 6.059 0.244 1.00 0.00 H new ATOM 0 HE ARG A 5 -1.176 5.054 -2.022 1.00 0.00 H new ATOM 0 HH11 ARG A 5 -1.931 6.394 -3.573 1.00 0.00 H new ATOM 0 HH12 ARG A 5 -1.682 8.140 -3.468 1.00 0.00 H new ATOM 0 HH21 ARG A 5 -0.158 8.049 -0.362 1.00 0.00 H new ATOM 0 HH22 ARG A 5 -0.711 9.049 -1.709 1.00 0.00 H new ATOM 75 N PHE A 6 0.306 1.764 4.159 1.00 0.00 N ATOM 76 CA PHE A 6 0.878 1.662 5.537 1.00 0.00 C ATOM 77 C PHE A 6 0.851 0.203 6.097 1.00 0.00 C ATOM 78 O PHE A 6 1.841 -0.248 6.675 1.00 0.00 O ATOM 79 CB PHE A 6 0.163 2.674 6.487 1.00 0.00 C ATOM 80 CG PHE A 6 0.178 4.147 6.025 1.00 0.00 C ATOM 81 CD1 PHE A 6 -0.968 4.708 5.448 1.00 0.00 C ATOM 82 CD2 PHE A 6 1.359 4.896 6.073 1.00 0.00 C ATOM 83 CE1 PHE A 6 -0.929 5.994 4.912 1.00 0.00 C ATOM 84 CE2 PHE A 6 1.395 6.183 5.539 1.00 0.00 C ATOM 85 CZ PHE A 6 0.253 6.729 4.956 1.00 0.00 C ATOM 0 H PHE A 6 -0.712 1.822 4.144 1.00 0.00 H new ATOM 0 HA PHE A 6 1.933 1.929 5.481 1.00 0.00 H new ATOM 0 HB2 PHE A 6 -0.874 2.361 6.608 1.00 0.00 H new ATOM 0 HB3 PHE A 6 0.631 2.615 7.470 1.00 0.00 H new ATOM 0 HD1 PHE A 6 -1.887 4.141 5.418 1.00 0.00 H new ATOM 0 HD2 PHE A 6 2.245 4.476 6.525 1.00 0.00 H new ATOM 0 HE1 PHE A 6 -1.814 6.420 4.463 1.00 0.00 H new ATOM 0 HE2 PHE A 6 2.309 6.758 5.577 1.00 0.00 H new ATOM 0 HZ PHE A 6 0.285 7.724 4.537 1.00 0.00 H new ATOM 95 N PHE A 7 -0.258 -0.541 5.917 1.00 0.00 N ATOM 96 CA PHE A 7 -0.415 -1.934 6.438 1.00 0.00 C ATOM 97 C PHE A 7 0.138 -3.079 5.493 1.00 0.00 C ATOM 98 O PHE A 7 -0.284 -4.232 5.613 1.00 0.00 O ATOM 99 CB PHE A 7 -1.925 -2.133 6.818 1.00 0.00 C ATOM 100 CG PHE A 7 -2.715 -1.033 7.587 1.00 0.00 C ATOM 101 CD1 PHE A 7 -4.050 -0.790 7.246 1.00 0.00 C ATOM 102 CD2 PHE A 7 -2.106 -0.226 8.561 1.00 0.00 C ATOM 103 CE1 PHE A 7 -4.754 0.258 7.838 1.00 0.00 C ATOM 104 CE2 PHE A 7 -2.805 0.833 9.138 1.00 0.00 C ATOM 105 CZ PHE A 7 -4.126 1.073 8.775 1.00 0.00 C ATOM 0 H PHE A 7 -1.075 -0.203 5.408 1.00 0.00 H new ATOM 0 HA PHE A 7 0.221 -2.037 7.318 1.00 0.00 H new ATOM 0 HB2 PHE A 7 -2.464 -2.322 5.890 1.00 0.00 H new ATOM 0 HB3 PHE A 7 -1.986 -3.044 7.414 1.00 0.00 H new ATOM 0 HD1 PHE A 7 -4.540 -1.420 6.518 1.00 0.00 H new ATOM 0 HD2 PHE A 7 -1.089 -0.427 8.865 1.00 0.00 H new ATOM 0 HE1 PHE A 7 -5.785 0.437 7.570 1.00 0.00 H new ATOM 0 HE2 PHE A 7 -2.321 1.467 9.866 1.00 0.00 H new ATOM 0 HZ PHE A 7 -4.666 1.895 9.222 1.00 0.00 H new ATOM 115 N CYS A 8 1.085 -2.779 4.578 1.00 0.00 N ATOM 116 CA CYS A 8 1.776 -3.768 3.712 1.00 0.00 C ATOM 117 C CYS A 8 3.252 -3.887 4.180 1.00 0.00 C ATOM 118 O CYS A 8 4.195 -2.944 3.937 1.00 0.00 O ATOM 119 CB CYS A 8 1.694 -3.294 2.239 1.00 0.00 C ATOM 120 SG CYS A 8 0.191 -3.826 1.395 1.00 0.00 S ATOM 121 OXT CYS A 8 3.496 -5.040 4.861 1.00 0.00 O ATOM 0 H CYS A 8 1.400 -1.823 4.415 1.00 0.00 H new ATOM 0 HA CYS A 8 1.303 -4.747 3.784 1.00 0.00 H new ATOM 0 HB2 CYS A 8 1.751 -2.206 2.212 1.00 0.00 H new ATOM 0 HB3 CYS A 8 2.560 -3.672 1.695 1.00 0.00 H new TER 126 CYS A 8