USER MOD reduce.3.24.130724 H: found=0, std=0, add=51, rem=0, adj=0 USER MOD reduce.3.24.130724 removed 52 hydrogens (0 hets) ATOM 13 N CYS A 2 5.896 1.431 1.615 1.00 0.00 N ATOM 14 CA CYS A 2 4.490 1.716 1.232 1.00 0.00 C ATOM 15 C CYS A 2 4.307 1.503 -0.259 1.00 0.00 C ATOM 16 O CYS A 2 4.610 2.355 -1.072 1.00 0.00 O ATOM 17 CB CYS A 2 4.241 3.181 1.597 1.00 0.00 C ATOM 18 SG CYS A 2 2.755 3.812 0.742 1.00 0.00 S ATOM 0 HA CYS A 2 3.790 1.057 1.745 1.00 0.00 H new ATOM 0 HB2 CYS A 2 4.115 3.276 2.675 1.00 0.00 H new ATOM 0 HB3 CYS A 2 5.108 3.782 1.323 1.00 0.00 H new ATOM 23 N ASP A 3 3.754 0.397 -0.603 1.00 0.00 N ATOM 24 CA ASP A 3 3.464 0.115 -2.023 1.00 0.00 C ATOM 25 C ASP A 3 1.968 0.291 -2.173 1.00 0.00 C ATOM 26 O ASP A 3 1.488 1.282 -2.689 1.00 0.00 O ATOM 27 CB ASP A 3 3.880 -1.343 -2.242 1.00 0.00 C ATOM 28 CG ASP A 3 5.336 -1.396 -2.706 1.00 0.00 C ATOM 29 OD1 ASP A 3 5.685 -0.627 -3.586 1.00 0.00 O ATOM 30 OD2 ASP A 3 6.077 -2.205 -2.173 1.00 0.00 O ATOM 0 H ASP A 3 3.483 -0.341 0.047 1.00 0.00 H new ATOM 0 HA ASP A 3 3.981 0.755 -2.738 1.00 0.00 H new ATOM 0 HB2 ASP A 3 3.761 -1.908 -1.318 1.00 0.00 H new ATOM 0 HB3 ASP A 3 3.233 -1.809 -2.986 1.00 0.00 H new ATOM 35 N CYS A 4 1.233 -0.636 -1.662 1.00 0.00 N ATOM 36 CA CYS A 4 -0.230 -0.528 -1.687 1.00 0.00 C ATOM 37 C CYS A 4 -0.782 -1.181 -0.414 1.00 0.00 C ATOM 38 O CYS A 4 -1.791 -1.854 -0.438 1.00 0.00 O ATOM 39 CB CYS A 4 -0.657 -1.254 -2.959 1.00 0.00 C ATOM 40 SG CYS A 4 -0.111 -2.977 -2.913 1.00 0.00 S ATOM 0 H CYS A 4 1.594 -1.481 -1.219 1.00 0.00 H new ATOM 0 HA CYS A 4 -0.605 0.495 -1.701 1.00 0.00 H new ATOM 0 HB2 CYS A 4 -1.741 -1.212 -3.063 1.00 0.00 H new ATOM 0 HB3 CYS A 4 -0.233 -0.755 -3.830 1.00 0.00 H new ATOM 45 N ARG A 5 -0.098 -1.015 0.703 1.00 0.00 N ATOM 46 CA ARG A 5 -0.581 -1.665 1.963 1.00 0.00 C ATOM 47 C ARG A 5 -0.291 -0.846 3.224 1.00 0.00 C ATOM 48 O ARG A 5 -1.108 -0.781 4.121 1.00 0.00 O ATOM 49 CB ARG A 5 0.154 -3.005 2.024 1.00 0.00 C ATOM 50 CG ARG A 5 -0.730 -4.108 1.439 1.00 0.00 C ATOM 51 CD ARG A 5 0.151 -5.153 0.750 1.00 0.00 C ATOM 52 NE ARG A 5 0.816 -5.888 1.863 1.00 0.00 N ATOM 53 CZ ARG A 5 2.034 -5.579 2.213 1.00 0.00 C ATOM 54 NH1 ARG A 5 2.992 -5.595 1.327 1.00 0.00 N ATOM 55 NH2 ARG A 5 2.296 -5.253 3.450 1.00 0.00 N ATOM 0 H ARG A 5 0.758 -0.467 0.792 1.00 0.00 H new ATOM 0 HA ARG A 5 -1.666 -1.766 1.939 1.00 0.00 H new ATOM 0 HB2 ARG A 5 1.089 -2.943 1.468 1.00 0.00 H new ATOM 0 HB3 ARG A 5 0.412 -3.242 3.056 1.00 0.00 H new ATOM 0 HG2 ARG A 5 -1.318 -4.576 2.229 1.00 0.00 H new ATOM 0 HG3 ARG A 5 -1.436 -3.683 0.725 1.00 0.00 H new ATOM 0 HD2 ARG A 5 -0.444 -5.826 0.132 1.00 0.00 H new ATOM 0 HD3 ARG A 5 0.883 -4.682 0.094 1.00 0.00 H new ATOM 0 HE ARG A 5 0.319 -6.633 2.351 1.00 0.00 H new ATOM 0 HH11 ARG A 5 2.788 -5.849 0.360 1.00 0.00 H new ATOM 0 HH12 ARG A 5 3.944 -5.353 1.601 1.00 0.00 H new ATOM 0 HH21 ARG A 5 1.548 -5.240 4.143 1.00 0.00 H new ATOM 0 HH22 ARG A 5 3.249 -5.012 3.723 1.00 0.00 H new ATOM 69 N GLY A 6 0.846 -0.232 3.315 1.00 0.00 N ATOM 70 CA GLY A 6 1.159 0.561 4.548 1.00 0.00 C ATOM 71 C GLY A 6 0.297 1.820 4.539 1.00 0.00 C ATOM 72 O GLY A 6 -0.861 1.789 4.909 1.00 0.00 O ATOM 0 H GLY A 6 1.574 -0.238 2.601 1.00 0.00 H new ATOM 0 HA2 GLY A 6 0.958 -0.031 5.441 1.00 0.00 H new ATOM 0 HA3 GLY A 6 2.216 0.825 4.572 1.00 0.00 H new ATOM 76 N ASP A 7 0.827 2.915 4.075 1.00 0.00 N ATOM 77 CA ASP A 7 0.005 4.155 3.991 1.00 0.00 C ATOM 78 C ASP A 7 -0.502 4.272 2.553 1.00 0.00 C ATOM 79 O ASP A 7 -0.705 5.346 2.023 1.00 0.00 O ATOM 80 CB ASP A 7 0.937 5.315 4.365 1.00 0.00 C ATOM 81 CG ASP A 7 2.079 5.424 3.357 1.00 0.00 C ATOM 82 OD1 ASP A 7 1.872 6.036 2.322 1.00 0.00 O ATOM 83 OD2 ASP A 7 3.144 4.903 3.641 1.00 0.00 O ATOM 0 H ASP A 7 1.790 3.007 3.751 1.00 0.00 H new ATOM 0 HA ASP A 7 -0.857 4.155 4.658 1.00 0.00 H new ATOM 0 HB2 ASP A 7 0.375 6.248 4.390 1.00 0.00 H new ATOM 0 HB3 ASP A 7 1.340 5.159 5.366 1.00 0.00 H new ATOM 88 N CYS A 8 -0.703 3.140 1.933 1.00 0.00 N ATOM 89 CA CYS A 8 -1.195 3.087 0.539 1.00 0.00 C ATOM 90 C CYS A 8 -2.149 1.897 0.462 1.00 0.00 C ATOM 91 O CYS A 8 -2.246 1.138 1.408 1.00 0.00 O ATOM 92 CB CYS A 8 0.058 2.883 -0.338 1.00 0.00 C ATOM 93 SG CYS A 8 1.455 2.258 0.653 1.00 0.00 S ATOM 0 H CYS A 8 -0.539 2.226 2.355 1.00 0.00 H new ATOM 0 HA CYS A 8 -1.725 3.980 0.209 1.00 0.00 H new ATOM 0 HB2 CYS A 8 -0.166 2.180 -1.141 1.00 0.00 H new ATOM 0 HB3 CYS A 8 0.335 3.827 -0.808 1.00 0.00 H new ATOM 98 N PHE A 9 -2.885 1.724 -0.601 1.00 0.00 N ATOM 99 CA PHE A 9 -3.835 0.569 -0.620 1.00 0.00 C ATOM 100 C PHE A 9 -3.851 -0.175 -1.959 1.00 0.00 C ATOM 101 O PHE A 9 -4.008 0.404 -3.016 1.00 0.00 O ATOM 102 CB PHE A 9 -5.210 1.179 -0.327 1.00 0.00 C ATOM 103 CG PHE A 9 -5.569 2.192 -1.390 1.00 0.00 C ATOM 104 CD1 PHE A 9 -5.033 3.483 -1.336 1.00 0.00 C ATOM 105 CD2 PHE A 9 -6.443 1.839 -2.424 1.00 0.00 C ATOM 106 CE1 PHE A 9 -5.370 4.422 -2.318 1.00 0.00 C ATOM 107 CE2 PHE A 9 -6.781 2.778 -3.406 1.00 0.00 C ATOM 108 CZ PHE A 9 -6.244 4.069 -3.353 1.00 0.00 C ATOM 0 H PHE A 9 -2.875 2.311 -1.435 1.00 0.00 H new ATOM 0 HA PHE A 9 -3.537 -0.180 0.113 1.00 0.00 H new ATOM 0 HB2 PHE A 9 -5.965 0.393 -0.293 1.00 0.00 H new ATOM 0 HB3 PHE A 9 -5.203 1.656 0.653 1.00 0.00 H new ATOM 0 HD1 PHE A 9 -4.359 3.755 -0.537 1.00 0.00 H new ATOM 0 HD2 PHE A 9 -6.857 0.842 -2.465 1.00 0.00 H new ATOM 0 HE1 PHE A 9 -4.956 5.419 -2.277 1.00 0.00 H new ATOM 0 HE2 PHE A 9 -7.456 2.506 -4.204 1.00 0.00 H new ATOM 0 HZ PHE A 9 -6.504 4.793 -4.111 1.00 0.00 H new ATOM 118 N CYS A 10 -3.703 -1.473 -1.894 1.00 0.00 N ATOM 119 CA CYS A 10 -3.722 -2.318 -3.132 1.00 0.00 C ATOM 120 C CYS A 10 -5.166 -2.619 -3.559 1.00 0.00 C ATOM 121 O CYS A 10 -5.407 -3.481 -4.382 1.00 0.00 O ATOM 122 CB CYS A 10 -3.033 -3.626 -2.722 1.00 0.00 C ATOM 123 SG CYS A 10 -1.626 -3.959 -3.808 1.00 0.00 S ATOM 0 H CYS A 10 -3.568 -1.992 -1.026 1.00 0.00 H new ATOM 0 HA CYS A 10 -3.231 -1.820 -3.968 1.00 0.00 H new ATOM 0 HB2 CYS A 10 -2.695 -3.559 -1.688 1.00 0.00 H new ATOM 0 HB3 CYS A 10 -3.744 -4.451 -2.772 1.00 0.00 H new ATOM 128 N GLY A 11 -6.125 -1.922 -3.008 1.00 0.00 N ATOM 129 CA GLY A 11 -7.545 -2.171 -3.387 1.00 0.00 C ATOM 130 C GLY A 11 -7.997 -3.516 -2.820 1.00 0.00 C ATOM 131 O GLY A 11 -8.314 -4.392 -3.607 1.00 0.00 O ATOM 132 OXT GLY A 11 -8.020 -3.647 -1.607 1.00 0.00 O ATOM 0 H GLY A 11 -5.985 -1.190 -2.311 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -8.180 -1.372 -3.005 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -7.648 -2.169 -4.472 1.00 0.00 H new