USER MOD reduce.3.24.130724 H: found=0, std=0, add=125, rem=0, adj=0 USER MOD reduce.3.24.130724 removed 126 hydrogens (0 hets) ATOM 8 N ILE A 2 -11.081 -2.213 -1.222 1.00 0.00 N ATOM 9 CA ILE A 2 -9.880 -2.804 -1.718 1.00 0.00 C ATOM 10 C ILE A 2 -8.722 -1.999 -1.225 1.00 0.00 C ATOM 11 O ILE A 2 -8.863 -0.799 -0.963 1.00 0.00 O ATOM 12 CB ILE A 2 -9.894 -2.846 -3.270 1.00 0.00 C ATOM 13 CG1 ILE A 2 -8.665 -3.536 -3.862 1.00 0.00 C ATOM 14 CG2 ILE A 2 -10.071 -1.460 -3.876 1.00 0.00 C ATOM 15 CD1 ILE A 2 -8.589 -5.024 -3.576 1.00 0.00 C ATOM 0 HA ILE A 2 -9.797 -3.830 -1.361 1.00 0.00 H new ATOM 0 HB ILE A 2 -10.761 -3.450 -3.537 1.00 0.00 H new ATOM 0 HG12 ILE A 2 -8.662 -3.384 -4.941 1.00 0.00 H new ATOM 0 HG13 ILE A 2 -7.768 -3.056 -3.470 1.00 0.00 H new ATOM 0 HG21 ILE A 2 -10.075 -1.536 -4.963 1.00 0.00 H new ATOM 0 HG22 ILE A 2 -11.016 -1.033 -3.539 1.00 0.00 H new ATOM 0 HG23 ILE A 2 -9.249 -0.817 -3.560 1.00 0.00 H new ATOM 0 HD11 ILE A 2 -7.688 -5.436 -4.031 1.00 0.00 H new ATOM 0 HD12 ILE A 2 -8.559 -5.186 -2.499 1.00 0.00 H new ATOM 0 HD13 ILE A 2 -9.466 -5.520 -3.993 1.00 0.00 H new ATOM 27 N CYS A 3 -7.624 -2.625 -1.037 1.00 0.00 N ATOM 28 CA CYS A 3 -6.467 -1.905 -0.631 1.00 0.00 C ATOM 29 C CYS A 3 -5.667 -1.580 -1.836 1.00 0.00 C ATOM 30 O CYS A 3 -5.549 -2.384 -2.757 1.00 0.00 O ATOM 31 CB CYS A 3 -5.591 -2.637 0.375 1.00 0.00 C ATOM 32 SG CYS A 3 -6.326 -3.064 2.018 1.00 0.00 S ATOM 0 H CYS A 3 -7.495 -3.630 -1.155 1.00 0.00 H new ATOM 0 HA CYS A 3 -6.819 -1.008 -0.121 1.00 0.00 H new ATOM 0 HB2 CYS A 3 -5.251 -3.563 -0.089 1.00 0.00 H new ATOM 0 HB3 CYS A 3 -4.706 -2.026 0.554 1.00 0.00 H new ATOM 37 N ARG A 4 -5.160 -0.422 -1.847 1.00 0.00 N ATOM 38 CA ARG A 4 -4.349 0.043 -2.916 1.00 0.00 C ATOM 39 C ARG A 4 -2.934 -0.052 -2.444 1.00 0.00 C ATOM 40 O ARG A 4 -2.544 0.631 -1.493 1.00 0.00 O ATOM 41 CB ARG A 4 -4.716 1.482 -3.269 1.00 0.00 C ATOM 42 CG ARG A 4 -3.999 2.042 -4.483 1.00 0.00 C ATOM 43 CD ARG A 4 -4.445 3.463 -4.749 1.00 0.00 C ATOM 44 NE ARG A 4 -3.798 4.046 -5.925 1.00 0.00 N ATOM 45 CZ ARG A 4 -3.956 5.311 -6.339 1.00 0.00 C ATOM 46 NH1 ARG A 4 -4.747 6.157 -5.667 1.00 0.00 N ATOM 47 NH2 ARG A 4 -3.314 5.726 -7.423 1.00 0.00 N ATOM 0 H ARG A 4 -5.292 0.259 -1.099 1.00 0.00 H new ATOM 0 HA ARG A 4 -4.495 -0.551 -3.818 1.00 0.00 H new ATOM 0 HB2 ARG A 4 -5.791 1.536 -3.442 1.00 0.00 H new ATOM 0 HB3 ARG A 4 -4.499 2.118 -2.411 1.00 0.00 H new ATOM 0 HG2 ARG A 4 -2.921 2.016 -4.321 1.00 0.00 H new ATOM 0 HG3 ARG A 4 -4.205 1.420 -5.354 1.00 0.00 H new ATOM 0 HD2 ARG A 4 -5.526 3.480 -4.888 1.00 0.00 H new ATOM 0 HD3 ARG A 4 -4.226 4.078 -3.876 1.00 0.00 H new ATOM 0 HE ARG A 4 -3.181 3.445 -6.470 1.00 0.00 H new ATOM 0 HH11 ARG A 4 -5.237 5.841 -4.830 1.00 0.00 H new ATOM 0 HH12 ARG A 4 -4.859 7.117 -5.992 1.00 0.00 H new ATOM 0 HH21 ARG A 4 -2.707 5.084 -7.933 1.00 0.00 H new ATOM 0 HH22 ARG A 4 -3.427 6.687 -7.746 1.00 0.00 H new ATOM 61 N CYS A 5 -2.206 -0.952 -3.014 1.00 0.00 N ATOM 62 CA CYS A 5 -0.866 -1.181 -2.632 1.00 0.00 C ATOM 63 C CYS A 5 0.061 -0.284 -3.397 1.00 0.00 C ATOM 64 O CYS A 5 0.308 -0.475 -4.590 1.00 0.00 O ATOM 65 CB CYS A 5 -0.514 -2.648 -2.811 1.00 0.00 C ATOM 66 SG CYS A 5 -1.580 -3.793 -1.848 1.00 0.00 S ATOM 0 H CYS A 5 -2.536 -1.554 -3.768 1.00 0.00 H new ATOM 0 HA CYS A 5 -0.749 -0.940 -1.575 1.00 0.00 H new ATOM 0 HB2 CYS A 5 -0.587 -2.902 -3.868 1.00 0.00 H new ATOM 0 HB3 CYS A 5 0.524 -2.801 -2.517 1.00 0.00 H new ATOM 71 N ILE A 6 0.489 0.742 -2.732 1.00 0.00 N ATOM 72 CA ILE A 6 1.434 1.656 -3.256 1.00 0.00 C ATOM 73 C ILE A 6 2.803 1.264 -2.728 1.00 0.00 C ATOM 74 O ILE A 6 2.951 0.966 -1.537 1.00 0.00 O ATOM 75 CB ILE A 6 1.069 3.127 -2.921 1.00 0.00 C ATOM 76 CG1 ILE A 6 0.836 3.309 -1.405 1.00 0.00 C ATOM 77 CG2 ILE A 6 -0.162 3.556 -3.721 1.00 0.00 C ATOM 78 CD1 ILE A 6 0.427 4.706 -0.996 1.00 0.00 C ATOM 0 H ILE A 6 0.179 0.966 -1.787 1.00 0.00 H new ATOM 0 HA ILE A 6 1.436 1.605 -4.345 1.00 0.00 H new ATOM 0 HB ILE A 6 1.906 3.765 -3.203 1.00 0.00 H new ATOM 0 HG12 ILE A 6 0.065 2.609 -1.082 1.00 0.00 H new ATOM 0 HG13 ILE A 6 1.750 3.042 -0.875 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -0.411 4.589 -3.480 1.00 0.00 H new ATOM 0 HG22 ILE A 6 0.050 3.473 -4.787 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -1.004 2.911 -3.467 1.00 0.00 H new ATOM 0 HD11 ILE A 6 0.285 4.742 0.084 1.00 0.00 H new ATOM 0 HD12 ILE A 6 1.206 5.412 -1.283 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -0.505 4.972 -1.494 1.00 0.00 H new ATOM 90 N CYS A 7 3.766 1.195 -3.585 1.00 0.00 N ATOM 91 CA CYS A 7 5.059 0.688 -3.207 1.00 0.00 C ATOM 92 C CYS A 7 6.138 1.752 -3.301 1.00 0.00 C ATOM 93 O CYS A 7 6.047 2.689 -4.115 1.00 0.00 O ATOM 94 CB CYS A 7 5.420 -0.525 -4.080 1.00 0.00 C ATOM 95 SG CYS A 7 4.183 -1.883 -4.055 1.00 0.00 S ATOM 0 H CYS A 7 3.689 1.483 -4.560 1.00 0.00 H new ATOM 0 HA CYS A 7 5.004 0.379 -2.163 1.00 0.00 H new ATOM 0 HB2 CYS A 7 5.550 -0.189 -5.109 1.00 0.00 H new ATOM 0 HB3 CYS A 7 6.381 -0.920 -3.750 1.00 0.00 H new ATOM 100 N GLY A 8 7.132 1.625 -2.448 1.00 0.00 N ATOM 101 CA GLY A 8 8.260 2.521 -2.465 1.00 0.00 C ATOM 102 C GLY A 8 9.470 1.832 -3.018 1.00 0.00 C ATOM 103 O GLY A 8 9.637 1.716 -4.241 1.00 0.00 O ATOM 0 H GLY A 8 7.178 0.902 -1.730 1.00 0.00 H new ATOM 0 HA2 GLY A 8 8.026 3.398 -3.069 1.00 0.00 H new ATOM 0 HA3 GLY A 8 8.466 2.875 -1.455 1.00 0.00 H new ATOM 107 N ARG A 9 10.285 1.355 -2.129 1.00 0.00 N ATOM 108 CA ARG A 9 11.465 0.600 -2.478 1.00 0.00 C ATOM 109 C ARG A 9 11.038 -0.820 -2.822 1.00 0.00 C ATOM 110 O ARG A 9 10.907 -1.168 -3.990 1.00 0.00 O ATOM 111 CB ARG A 9 12.471 0.601 -1.323 1.00 0.00 C ATOM 112 CG ARG A 9 12.991 1.977 -0.936 1.00 0.00 C ATOM 113 CD ARG A 9 13.944 1.896 0.245 1.00 0.00 C ATOM 114 NE ARG A 9 15.130 1.094 -0.052 1.00 0.00 N ATOM 115 CZ ARG A 9 15.801 0.349 0.828 1.00 0.00 C ATOM 116 NH1 ARG A 9 15.424 0.310 2.092 1.00 0.00 N ATOM 117 NH2 ARG A 9 16.847 -0.354 0.431 1.00 0.00 N ATOM 0 H ARG A 9 10.154 1.477 -1.125 1.00 0.00 H new ATOM 0 HA ARG A 9 11.957 1.057 -3.337 1.00 0.00 H new ATOM 0 HB2 ARG A 9 12.003 0.146 -0.450 1.00 0.00 H new ATOM 0 HB3 ARG A 9 13.318 -0.029 -1.596 1.00 0.00 H new ATOM 0 HG2 ARG A 9 13.501 2.428 -1.787 1.00 0.00 H new ATOM 0 HG3 ARG A 9 12.153 2.627 -0.686 1.00 0.00 H new ATOM 0 HD2 ARG A 9 14.251 2.902 0.531 1.00 0.00 H new ATOM 0 HD3 ARG A 9 13.423 1.467 1.101 1.00 0.00 H new ATOM 0 HE ARG A 9 15.473 1.105 -1.013 1.00 0.00 H new ATOM 0 HH11 ARG A 9 14.616 0.851 2.400 1.00 0.00 H new ATOM 0 HH12 ARG A 9 15.940 -0.261 2.761 1.00 0.00 H new ATOM 0 HH21 ARG A 9 17.139 -0.326 -0.546 1.00 0.00 H new ATOM 0 HH22 ARG A 9 17.362 -0.925 1.101 1.00 0.00 H new ATOM 131 N ARG A 10 10.782 -1.629 -1.813 1.00 0.00 N ATOM 132 CA ARG A 10 10.241 -2.956 -2.053 1.00 0.00 C ATOM 133 C ARG A 10 9.127 -3.266 -1.074 1.00 0.00 C ATOM 134 O ARG A 10 8.495 -4.328 -1.139 1.00 0.00 O ATOM 135 CB ARG A 10 11.316 -4.056 -2.048 1.00 0.00 C ATOM 136 CG ARG A 10 12.018 -4.273 -0.725 1.00 0.00 C ATOM 137 CD ARG A 10 13.079 -5.365 -0.840 1.00 0.00 C ATOM 138 NE ARG A 10 14.114 -5.033 -1.844 1.00 0.00 N ATOM 139 CZ ARG A 10 15.208 -5.763 -2.104 1.00 0.00 C ATOM 140 NH1 ARG A 10 15.415 -6.918 -1.483 1.00 0.00 N ATOM 141 NH2 ARG A 10 16.091 -5.340 -3.006 1.00 0.00 N ATOM 0 H ARG A 10 10.936 -1.397 -0.832 1.00 0.00 H new ATOM 0 HA ARG A 10 9.825 -2.948 -3.061 1.00 0.00 H new ATOM 0 HB2 ARG A 10 10.852 -4.995 -2.352 1.00 0.00 H new ATOM 0 HB3 ARG A 10 12.065 -3.812 -2.801 1.00 0.00 H new ATOM 0 HG2 ARG A 10 12.483 -3.342 -0.399 1.00 0.00 H new ATOM 0 HG3 ARG A 10 11.289 -4.549 0.037 1.00 0.00 H new ATOM 0 HD2 ARG A 10 13.551 -5.514 0.131 1.00 0.00 H new ATOM 0 HD3 ARG A 10 12.601 -6.307 -1.110 1.00 0.00 H new ATOM 0 HE ARG A 10 13.984 -4.177 -2.383 1.00 0.00 H new ATOM 0 HH11 ARG A 10 14.738 -7.258 -0.800 1.00 0.00 H new ATOM 0 HH12 ARG A 10 16.251 -7.465 -1.689 1.00 0.00 H new ATOM 0 HH21 ARG A 10 15.935 -4.461 -3.499 1.00 0.00 H new ATOM 0 HH22 ARG A 10 16.923 -5.895 -3.204 1.00 0.00 H new ATOM 155 N ILE A 11 8.866 -2.333 -0.178 1.00 0.00 N ATOM 156 CA ILE A 11 7.805 -2.495 0.773 1.00 0.00 C ATOM 157 C ILE A 11 6.626 -1.746 0.214 1.00 0.00 C ATOM 158 O ILE A 11 6.801 -0.709 -0.459 1.00 0.00 O ATOM 159 CB ILE A 11 8.154 -1.902 2.167 1.00 0.00 C ATOM 160 CG1 ILE A 11 9.551 -2.336 2.616 1.00 0.00 C ATOM 161 CG2 ILE A 11 7.115 -2.343 3.202 1.00 0.00 C ATOM 162 CD1 ILE A 11 10.005 -1.714 3.924 1.00 0.00 C ATOM 0 H ILE A 11 9.381 -1.456 -0.096 1.00 0.00 H new ATOM 0 HA ILE A 11 7.611 -3.557 0.921 1.00 0.00 H new ATOM 0 HB ILE A 11 8.143 -0.815 2.084 1.00 0.00 H new ATOM 0 HG12 ILE A 11 9.567 -3.421 2.718 1.00 0.00 H new ATOM 0 HG13 ILE A 11 10.268 -2.078 1.836 1.00 0.00 H new ATOM 0 HG21 ILE A 11 7.369 -1.922 4.175 1.00 0.00 H new ATOM 0 HG22 ILE A 11 6.129 -1.990 2.900 1.00 0.00 H new ATOM 0 HG23 ILE A 11 7.107 -3.431 3.268 1.00 0.00 H new ATOM 0 HD11 ILE A 11 11.004 -2.073 4.170 1.00 0.00 H new ATOM 0 HD12 ILE A 11 10.024 -0.629 3.823 1.00 0.00 H new ATOM 0 HD13 ILE A 11 9.313 -1.992 4.719 1.00 0.00 H new ATOM 174 N CYS A 12 5.467 -2.236 0.444 1.00 0.00 N ATOM 175 CA CYS A 12 4.308 -1.600 -0.070 1.00 0.00 C ATOM 176 C CYS A 12 3.366 -1.289 1.043 1.00 0.00 C ATOM 177 O CYS A 12 3.416 -1.895 2.123 1.00 0.00 O ATOM 178 CB CYS A 12 3.619 -2.458 -1.122 1.00 0.00 C ATOM 179 SG CYS A 12 4.719 -3.030 -2.469 1.00 0.00 S ATOM 0 H CYS A 12 5.291 -3.081 0.988 1.00 0.00 H new ATOM 0 HA CYS A 12 4.617 -0.673 -0.552 1.00 0.00 H new ATOM 0 HB2 CYS A 12 3.180 -3.328 -0.633 1.00 0.00 H new ATOM 0 HB3 CYS A 12 2.798 -1.889 -1.557 1.00 0.00 H new ATOM 184 N ARG A 13 2.543 -0.354 0.801 1.00 0.00 N ATOM 185 CA ARG A 13 1.560 0.071 1.728 1.00 0.00 C ATOM 186 C ARG A 13 0.223 -0.133 1.096 1.00 0.00 C ATOM 187 O ARG A 13 -0.121 0.545 0.134 1.00 0.00 O ATOM 188 CB ARG A 13 1.769 1.536 2.084 1.00 0.00 C ATOM 189 CG ARG A 13 3.062 1.808 2.832 1.00 0.00 C ATOM 190 CD ARG A 13 3.289 3.291 3.005 1.00 0.00 C ATOM 191 NE ARG A 13 3.499 3.946 1.717 1.00 0.00 N ATOM 192 CZ ARG A 13 3.232 5.224 1.445 1.00 0.00 C ATOM 193 NH1 ARG A 13 2.631 6.007 2.344 1.00 0.00 N ATOM 194 NH2 ARG A 13 3.533 5.709 0.257 1.00 0.00 N ATOM 0 H ARG A 13 2.527 0.162 -0.079 1.00 0.00 H new ATOM 0 HA ARG A 13 1.630 -0.504 2.651 1.00 0.00 H new ATOM 0 HB2 ARG A 13 1.759 2.127 1.168 1.00 0.00 H new ATOM 0 HB3 ARG A 13 0.930 1.875 2.692 1.00 0.00 H new ATOM 0 HG2 ARG A 13 3.029 1.326 3.809 1.00 0.00 H new ATOM 0 HG3 ARG A 13 3.899 1.370 2.289 1.00 0.00 H new ATOM 0 HD2 ARG A 13 2.431 3.737 3.507 1.00 0.00 H new ATOM 0 HD3 ARG A 13 4.155 3.457 3.646 1.00 0.00 H new ATOM 0 HE ARG A 13 3.882 3.378 0.961 1.00 0.00 H new ATOM 0 HH11 ARG A 13 2.369 5.630 3.255 1.00 0.00 H new ATOM 0 HH12 ARG A 13 2.434 6.982 2.120 1.00 0.00 H new ATOM 0 HH21 ARG A 13 3.966 5.108 -0.444 1.00 0.00 H new ATOM 0 HH22 ARG A 13 3.333 6.685 0.039 1.00 0.00 H new ATOM 208 N CYS A 14 -0.475 -1.110 1.558 1.00 0.00 N ATOM 209 CA CYS A 14 -1.760 -1.410 1.058 1.00 0.00 C ATOM 210 C CYS A 14 -2.797 -0.695 1.880 1.00 0.00 C ATOM 211 O CYS A 14 -3.128 -1.108 2.989 1.00 0.00 O ATOM 212 CB CYS A 14 -1.964 -2.913 1.053 1.00 0.00 C ATOM 213 SG CYS A 14 -0.753 -3.806 0.014 1.00 0.00 S ATOM 0 H CYS A 14 -0.160 -1.729 2.305 1.00 0.00 H new ATOM 0 HA CYS A 14 -1.859 -1.063 0.030 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -1.898 -3.285 2.076 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -2.970 -3.135 0.697 1.00 0.00 H new ATOM 218 N ILE A 15 -3.259 0.410 1.357 1.00 0.00 N ATOM 219 CA ILE A 15 -4.231 1.222 2.033 1.00 0.00 C ATOM 220 C ILE A 15 -5.635 0.995 1.476 1.00 0.00 C ATOM 221 O ILE A 15 -5.900 1.201 0.280 1.00 0.00 O ATOM 222 CB ILE A 15 -3.846 2.732 2.014 1.00 0.00 C ATOM 223 CG1 ILE A 15 -3.478 3.198 0.591 1.00 0.00 C ATOM 224 CG2 ILE A 15 -2.702 3.000 2.988 1.00 0.00 C ATOM 225 CD1 ILE A 15 -3.200 4.682 0.470 1.00 0.00 C ATOM 0 H ILE A 15 -2.970 0.772 0.448 1.00 0.00 H new ATOM 0 HA ILE A 15 -4.237 0.908 3.077 1.00 0.00 H new ATOM 0 HB ILE A 15 -4.715 3.308 2.333 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -2.598 2.648 0.258 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -4.292 2.937 -0.085 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -2.444 4.059 2.964 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -3.011 2.725 3.996 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -1.833 2.408 2.700 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -2.950 4.922 -0.563 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -4.085 5.244 0.769 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -2.365 4.950 1.117 1.00 0.00 H new ATOM 237 N CYS A 16 -6.485 0.484 2.315 1.00 0.00 N ATOM 238 CA CYS A 16 -7.882 0.262 2.009 1.00 0.00 C ATOM 239 C CYS A 16 -8.702 1.496 2.295 1.00 0.00 C ATOM 240 O CYS A 16 -8.236 2.427 2.971 1.00 0.00 O ATOM 241 CB CYS A 16 -8.437 -0.942 2.791 1.00 0.00 C ATOM 242 SG CYS A 16 -8.290 -2.572 1.958 1.00 0.00 S ATOM 0 H CYS A 16 -6.227 0.199 3.260 1.00 0.00 H new ATOM 0 HA CYS A 16 -7.954 0.041 0.944 1.00 0.00 H new ATOM 0 HB2 CYS A 16 -7.922 -0.997 3.750 1.00 0.00 H new ATOM 0 HB3 CYS A 16 -9.490 -0.758 3.005 1.00 0.00 H new ATOM 247 N GLY A 17 -9.898 1.524 1.757 1.00 0.00 N ATOM 248 CA GLY A 17 -10.781 2.630 1.980 1.00 0.00 C ATOM 249 C GLY A 17 -12.146 2.338 1.430 1.00 0.00 C ATOM 250 O GLY A 17 -13.160 2.472 2.122 1.00 0.00 O ATOM 0 H GLY A 17 -10.277 0.788 1.161 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -10.850 2.837 3.048 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -10.377 3.525 1.508 1.00 0.00 H new