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 -7.983 -2.373 4.000 1.00 0.00 C HETATM 2 O ACE A 1 -9.122 -1.966 4.231 1.00 0.00 O HETATM 3 CH3 ACE A 1 -7.557 -3.768 4.415 1.00 0.00 C HETATM 0 H1 ACE A 1 -7.260 -4.335 3.533 1.00 0.00 H new HETATM 0 H2 ACE A 1 -6.715 -3.701 5.104 1.00 0.00 H new HETATM 0 H3 ACE A 1 -8.389 -4.271 4.907 1.00 0.00 H new ATOM 7 N ARG A 2 -7.046 -1.650 3.386 1.00 0.00 N ATOM 8 CA ARG A 2 -7.329 -0.314 2.778 1.00 0.00 C ATOM 9 C ARG A 2 -6.695 -0.257 1.342 1.00 0.00 C ATOM 10 O ARG A 2 -6.997 -1.114 0.506 1.00 0.00 O ATOM 11 CB ARG A 2 -6.959 0.769 3.848 1.00 0.00 C ATOM 12 CG ARG A 2 -7.286 2.242 3.468 1.00 0.00 C ATOM 13 CD ARG A 2 -7.959 3.088 4.572 1.00 0.00 C ATOM 14 NE ARG A 2 -7.049 3.444 5.702 1.00 0.00 N ATOM 15 CZ ARG A 2 -6.250 4.514 5.752 1.00 0.00 C ATOM 16 NH1 ARG A 2 -5.610 4.757 6.859 1.00 0.00 N ATOM 17 NH2 ARG A 2 -6.074 5.334 4.744 1.00 0.00 N ATOM 0 H ARG A 2 -6.077 -1.953 3.287 1.00 0.00 H new ATOM 0 HA ARG A 2 -8.375 -0.104 2.557 1.00 0.00 H new ATOM 0 HB2 ARG A 2 -7.481 0.529 4.774 1.00 0.00 H new ATOM 0 HB3 ARG A 2 -5.891 0.696 4.055 1.00 0.00 H new ATOM 0 HG2 ARG A 2 -6.360 2.735 3.172 1.00 0.00 H new ATOM 0 HG3 ARG A 2 -7.937 2.236 2.594 1.00 0.00 H new ATOM 0 HD2 ARG A 2 -8.346 4.005 4.128 1.00 0.00 H new ATOM 0 HD3 ARG A 2 -8.814 2.539 4.966 1.00 0.00 H new ATOM 0 HE ARG A 2 -7.036 2.816 6.505 1.00 0.00 H new ATOM 0 HH11 ARG A 2 -5.725 4.137 7.661 1.00 0.00 H new ATOM 0 HH12 ARG A 2 -4.994 5.567 6.924 1.00 0.00 H new ATOM 0 HH21 ARG A 2 -6.561 5.170 3.863 1.00 0.00 H new ATOM 0 HH22 ARG A 2 -5.451 6.135 4.841 1.00 0.00 H new ATOM 31 N ALA A 3 -5.823 0.719 1.033 1.00 0.00 N ATOM 32 CA ALA A 3 -5.022 0.735 -0.229 1.00 0.00 C ATOM 33 C ALA A 3 -3.657 -0.047 -0.222 1.00 0.00 C ATOM 34 O ALA A 3 -2.969 -0.097 -1.243 1.00 0.00 O ATOM 35 CB ALA A 3 -4.790 2.229 -0.530 1.00 0.00 C ATOM 0 H ALA A 3 -5.646 1.520 1.639 1.00 0.00 H new ATOM 0 HA ALA A 3 -5.585 0.197 -0.992 1.00 0.00 H new ATOM 0 HB1 ALA A 3 -4.207 2.329 -1.445 1.00 0.00 H new ATOM 0 HB2 ALA A 3 -5.751 2.728 -0.655 1.00 0.00 H new ATOM 0 HB3 ALA A 3 -4.248 2.687 0.298 1.00 0.00 H new HETATM 41 N DCY A 4 -3.242 -0.601 0.931 1.00 0.00 N HETATM 42 CA DCY A 4 -1.898 -1.196 1.150 1.00 0.00 C HETATM 43 C DCY A 4 -0.666 -0.223 1.013 1.00 0.00 C HETATM 44 O DCY A 4 0.395 -0.640 0.550 1.00 0.00 O HETATM 45 CB DCY A 4 -1.961 -1.852 2.564 1.00 0.00 C HETATM 46 SG DCY A 4 -1.419 -3.569 2.538 1.00 0.00 S HETATM 0 HB3 DCY A 4 -1.336 -1.285 3.254 1.00 0.00 H new HETATM 0 HB2 DCY A 4 -2.982 -1.800 2.942 1.00 0.00 H new HETATM 0 HA DCY A 4 -1.704 -1.908 0.348 1.00 0.00 H new ATOM 51 N ARG A 5 -0.793 1.045 1.459 1.00 0.00 N ATOM 52 CA ARG A 5 0.365 1.970 1.665 1.00 0.00 C ATOM 53 C ARG A 5 1.085 1.782 3.040 1.00 0.00 C ATOM 54 O ARG A 5 2.314 1.713 3.083 1.00 0.00 O ATOM 55 CB ARG A 5 -0.106 3.447 1.483 1.00 0.00 C ATOM 56 CG ARG A 5 -0.131 3.948 0.022 1.00 0.00 C ATOM 57 CD ARG A 5 -0.424 5.459 -0.067 1.00 0.00 C ATOM 58 NE ARG A 5 -0.869 5.805 -1.444 1.00 0.00 N ATOM 59 CZ ARG A 5 -0.960 7.038 -1.942 1.00 0.00 C ATOM 60 NH1 ARG A 5 -1.521 7.189 -3.108 1.00 0.00 N ATOM 61 NH2 ARG A 5 -0.515 8.108 -1.330 1.00 0.00 N ATOM 0 H ARG A 5 -1.694 1.465 1.689 1.00 0.00 H new ATOM 0 HA ARG A 5 1.109 1.719 0.909 1.00 0.00 H new ATOM 0 HB2 ARG A 5 -1.107 3.548 1.903 1.00 0.00 H new ATOM 0 HB3 ARG A 5 0.550 4.096 2.063 1.00 0.00 H new ATOM 0 HG2 ARG A 5 0.829 3.737 -0.450 1.00 0.00 H new ATOM 0 HG3 ARG A 5 -0.889 3.399 -0.536 1.00 0.00 H new ATOM 0 HD2 ARG A 5 -1.195 5.733 0.654 1.00 0.00 H new ATOM 0 HD3 ARG A 5 0.469 6.028 0.190 1.00 0.00 H new ATOM 0 HE ARG A 5 -1.126 5.033 -2.059 1.00 0.00 H new ATOM 0 HH11 ARG A 5 -1.875 6.376 -3.613 1.00 0.00 H new ATOM 0 HH12 ARG A 5 -1.606 8.120 -3.516 1.00 0.00 H new ATOM 0 HH21 ARG A 5 -0.068 8.024 -0.417 1.00 0.00 H new ATOM 0 HH22 ARG A 5 -0.616 9.024 -1.767 1.00 0.00 H new ATOM 75 N PHE A 6 0.327 1.753 4.148 1.00 0.00 N ATOM 76 CA PHE A 6 0.882 1.667 5.533 1.00 0.00 C ATOM 77 C PHE A 6 0.846 0.214 6.106 1.00 0.00 C ATOM 78 O PHE A 6 1.829 -0.235 6.696 1.00 0.00 O ATOM 79 CB PHE A 6 0.156 2.687 6.463 1.00 0.00 C ATOM 80 CG PHE A 6 0.188 4.159 5.996 1.00 0.00 C ATOM 81 CD1 PHE A 6 -0.909 4.697 5.312 1.00 0.00 C ATOM 82 CD2 PHE A 6 1.346 4.928 6.150 1.00 0.00 C ATOM 83 CE1 PHE A 6 -0.842 5.981 4.777 1.00 0.00 C ATOM 84 CE2 PHE A 6 1.408 6.214 5.617 1.00 0.00 C ATOM 85 CZ PHE A 6 0.318 6.738 4.929 1.00 0.00 C ATOM 0 H PHE A 6 -0.692 1.788 4.122 1.00 0.00 H new ATOM 0 HA PHE A 6 1.938 1.935 5.488 1.00 0.00 H new ATOM 0 HB2 PHE A 6 -0.885 2.380 6.566 1.00 0.00 H new ATOM 0 HB3 PHE A 6 0.605 2.630 7.455 1.00 0.00 H new ATOM 0 HD1 PHE A 6 -1.811 4.114 5.199 1.00 0.00 H new ATOM 0 HD2 PHE A 6 2.194 4.524 6.683 1.00 0.00 H new ATOM 0 HE1 PHE A 6 -1.688 6.390 4.245 1.00 0.00 H new ATOM 0 HE2 PHE A 6 2.304 6.805 5.738 1.00 0.00 H new ATOM 0 HZ PHE A 6 0.371 7.733 4.512 1.00 0.00 H new ATOM 95 N PHE A 7 -0.266 -0.526 5.924 1.00 0.00 N ATOM 96 CA PHE A 7 -0.432 -1.917 6.448 1.00 0.00 C ATOM 97 C PHE A 7 0.106 -3.064 5.494 1.00 0.00 C ATOM 98 O PHE A 7 -0.362 -4.202 5.569 1.00 0.00 O ATOM 99 CB PHE A 7 -1.944 -2.097 6.832 1.00 0.00 C ATOM 100 CG PHE A 7 -2.720 -0.981 7.596 1.00 0.00 C ATOM 101 CD1 PHE A 7 -2.107 -0.197 8.583 1.00 0.00 C ATOM 102 CD2 PHE A 7 -4.045 -0.705 7.238 1.00 0.00 C ATOM 103 CE1 PHE A 7 -2.791 0.870 9.163 1.00 0.00 C ATOM 104 CE2 PHE A 7 -4.735 0.351 7.831 1.00 0.00 C ATOM 105 CZ PHE A 7 -4.103 1.143 8.787 1.00 0.00 C ATOM 0 H PHE A 7 -1.080 -0.186 5.411 1.00 0.00 H new ATOM 0 HA PHE A 7 0.204 -2.031 7.326 1.00 0.00 H new ATOM 0 HB2 PHE A 7 -2.487 -2.286 5.906 1.00 0.00 H new ATOM 0 HB3 PHE A 7 -2.014 -3.003 7.434 1.00 0.00 H new ATOM 0 HD1 PHE A 7 -1.098 -0.421 8.896 1.00 0.00 H new ATOM 0 HD2 PHE A 7 -4.537 -1.316 6.496 1.00 0.00 H new ATOM 0 HE1 PHE A 7 -2.303 1.485 9.904 1.00 0.00 H new ATOM 0 HE2 PHE A 7 -5.758 0.555 7.550 1.00 0.00 H new ATOM 0 HZ PHE A 7 -4.632 1.970 9.237 1.00 0.00 H new ATOM 115 N CYS A 8 1.094 -2.774 4.619 1.00 0.00 N ATOM 116 CA CYS A 8 1.763 -3.758 3.724 1.00 0.00 C ATOM 117 C CYS A 8 3.250 -3.965 4.129 1.00 0.00 C ATOM 118 O CYS A 8 3.977 -3.060 4.828 1.00 0.00 O ATOM 119 CB CYS A 8 1.687 -3.231 2.267 1.00 0.00 C ATOM 120 SG CYS A 8 0.202 -3.768 1.397 1.00 0.00 S ATOM 121 OXT CYS A 8 3.736 -5.164 3.700 1.00 0.00 O ATOM 0 H CYS A 8 1.461 -1.829 4.509 1.00 0.00 H new ATOM 0 HA CYS A 8 1.256 -4.719 3.810 1.00 0.00 H new ATOM 0 HB2 CYS A 8 1.720 -2.142 2.279 1.00 0.00 H new ATOM 0 HB3 CYS A 8 2.565 -3.570 1.718 1.00 0.00 H new TER 126 CYS A 8