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 -11.602 -1.787 -1.627 1.00 0.00 N ATOM 9 CA ILE A 2 -10.472 -1.865 -2.497 1.00 0.00 C ATOM 10 C ILE A 2 -9.244 -1.407 -1.751 1.00 0.00 C ATOM 11 O ILE A 2 -9.341 -0.599 -0.803 1.00 0.00 O ATOM 12 CB ILE A 2 -10.704 -1.012 -3.785 1.00 0.00 C ATOM 13 CG1 ILE A 2 -9.554 -1.166 -4.806 1.00 0.00 C ATOM 14 CG2 ILE A 2 -10.956 0.461 -3.446 1.00 0.00 C ATOM 15 CD1 ILE A 2 -9.757 -0.402 -6.103 1.00 0.00 C ATOM 0 HA ILE A 2 -10.329 -2.897 -2.816 1.00 0.00 H new ATOM 0 HB ILE A 2 -11.604 -1.402 -4.261 1.00 0.00 H new ATOM 0 HG12 ILE A 2 -8.626 -0.830 -4.343 1.00 0.00 H new ATOM 0 HG13 ILE A 2 -9.430 -2.224 -5.038 1.00 0.00 H new ATOM 0 HG21 ILE A 2 -11.113 1.024 -4.366 1.00 0.00 H new ATOM 0 HG22 ILE A 2 -11.841 0.543 -2.815 1.00 0.00 H new ATOM 0 HG23 ILE A 2 -10.093 0.865 -2.916 1.00 0.00 H new ATOM 0 HD11 ILE A 2 -8.903 -0.567 -6.760 1.00 0.00 H new ATOM 0 HD12 ILE A 2 -10.665 -0.753 -6.593 1.00 0.00 H new ATOM 0 HD13 ILE A 2 -9.849 0.663 -5.888 1.00 0.00 H new ATOM 27 N CYS A 3 -8.131 -1.925 -2.139 1.00 0.00 N ATOM 28 CA CYS A 3 -6.893 -1.590 -1.537 1.00 0.00 C ATOM 29 C CYS A 3 -5.978 -0.973 -2.563 1.00 0.00 C ATOM 30 O CYS A 3 -6.116 -1.201 -3.765 1.00 0.00 O ATOM 31 CB CYS A 3 -6.235 -2.815 -0.909 1.00 0.00 C ATOM 32 SG CYS A 3 -7.245 -3.657 0.361 1.00 0.00 S ATOM 0 H CYS A 3 -8.057 -2.604 -2.896 1.00 0.00 H new ATOM 0 HA CYS A 3 -7.082 -0.869 -0.742 1.00 0.00 H new ATOM 0 HB2 CYS A 3 -5.999 -3.529 -1.698 1.00 0.00 H new ATOM 0 HB3 CYS A 3 -5.289 -2.512 -0.460 1.00 0.00 H new ATOM 37 N ARG A 4 -5.096 -0.167 -2.093 1.00 0.00 N ATOM 38 CA ARG A 4 -4.111 0.483 -2.899 1.00 0.00 C ATOM 39 C ARG A 4 -2.756 0.184 -2.324 1.00 0.00 C ATOM 40 O ARG A 4 -2.376 0.746 -1.303 1.00 0.00 O ATOM 41 CB ARG A 4 -4.379 1.997 -2.917 1.00 0.00 C ATOM 42 CG ARG A 4 -3.327 2.893 -3.595 1.00 0.00 C ATOM 43 CD ARG A 4 -3.135 2.611 -5.075 1.00 0.00 C ATOM 44 NE ARG A 4 -2.228 1.489 -5.345 1.00 0.00 N ATOM 45 CZ ARG A 4 -2.171 0.822 -6.502 1.00 0.00 C ATOM 46 NH1 ARG A 4 -3.048 1.074 -7.464 1.00 0.00 N ATOM 47 NH2 ARG A 4 -1.233 -0.094 -6.685 1.00 0.00 N ATOM 0 H ARG A 4 -5.033 0.071 -1.103 1.00 0.00 H new ATOM 0 HA ARG A 4 -4.153 0.120 -3.926 1.00 0.00 H new ATOM 0 HB2 ARG A 4 -5.335 2.164 -3.414 1.00 0.00 H new ATOM 0 HB3 ARG A 4 -4.493 2.332 -1.886 1.00 0.00 H new ATOM 0 HG2 ARG A 4 -3.618 3.936 -3.469 1.00 0.00 H new ATOM 0 HG3 ARG A 4 -2.372 2.765 -3.085 1.00 0.00 H new ATOM 0 HD2 ARG A 4 -4.105 2.400 -5.525 1.00 0.00 H new ATOM 0 HD3 ARG A 4 -2.746 3.507 -5.560 1.00 0.00 H new ATOM 0 HE ARG A 4 -1.597 1.198 -4.598 1.00 0.00 H new ATOM 0 HH11 ARG A 4 -3.771 1.780 -7.323 1.00 0.00 H new ATOM 0 HH12 ARG A 4 -3.000 0.562 -8.345 1.00 0.00 H new ATOM 0 HH21 ARG A 4 -0.558 -0.288 -5.945 1.00 0.00 H new ATOM 0 HH22 ARG A 4 -1.185 -0.606 -7.566 1.00 0.00 H new ATOM 61 N CYS A 5 -2.082 -0.756 -2.914 1.00 0.00 N ATOM 62 CA CYS A 5 -0.754 -1.091 -2.523 1.00 0.00 C ATOM 63 C CYS A 5 0.216 -0.146 -3.169 1.00 0.00 C ATOM 64 O CYS A 5 0.404 -0.166 -4.385 1.00 0.00 O ATOM 65 CB CYS A 5 -0.453 -2.544 -2.858 1.00 0.00 C ATOM 66 SG CYS A 5 -1.458 -3.724 -1.894 1.00 0.00 S ATOM 0 H CYS A 5 -2.445 -1.315 -3.687 1.00 0.00 H new ATOM 0 HA CYS A 5 -0.651 -0.986 -1.443 1.00 0.00 H new ATOM 0 HB2 CYS A 5 -0.629 -2.710 -3.921 1.00 0.00 H new ATOM 0 HB3 CYS A 5 0.603 -2.741 -2.675 1.00 0.00 H new ATOM 71 N ILE A 6 0.718 0.763 -2.377 1.00 0.00 N ATOM 72 CA ILE A 6 1.680 1.711 -2.812 1.00 0.00 C ATOM 73 C ILE A 6 3.036 1.155 -2.452 1.00 0.00 C ATOM 74 O ILE A 6 3.273 0.839 -1.296 1.00 0.00 O ATOM 75 CB ILE A 6 1.494 3.068 -2.097 1.00 0.00 C ATOM 76 CG1 ILE A 6 0.034 3.537 -2.197 1.00 0.00 C ATOM 77 CG2 ILE A 6 2.440 4.117 -2.687 1.00 0.00 C ATOM 78 CD1 ILE A 6 -0.267 4.820 -1.446 1.00 0.00 C ATOM 0 H ILE A 6 0.458 0.858 -1.395 1.00 0.00 H new ATOM 0 HA ILE A 6 1.573 1.879 -3.884 1.00 0.00 H new ATOM 0 HB ILE A 6 1.738 2.938 -1.043 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -0.218 3.678 -3.248 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -0.615 2.748 -1.817 1.00 0.00 H new ATOM 0 HG21 ILE A 6 2.296 5.067 -2.172 1.00 0.00 H new ATOM 0 HG22 ILE A 6 3.472 3.788 -2.561 1.00 0.00 H new ATOM 0 HG23 ILE A 6 2.227 4.243 -3.748 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -1.319 5.077 -1.571 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -0.051 4.681 -0.387 1.00 0.00 H new ATOM 0 HD13 ILE A 6 0.352 5.626 -1.840 1.00 0.00 H new ATOM 90 N CYS A 7 3.884 1.009 -3.412 1.00 0.00 N ATOM 91 CA CYS A 7 5.195 0.439 -3.191 1.00 0.00 C ATOM 92 C CYS A 7 6.293 1.367 -3.650 1.00 0.00 C ATOM 93 O CYS A 7 6.103 2.167 -4.588 1.00 0.00 O ATOM 94 CB CYS A 7 5.338 -0.896 -3.922 1.00 0.00 C ATOM 95 SG CYS A 7 4.247 -2.227 -3.329 1.00 0.00 S ATOM 0 H CYS A 7 3.700 1.278 -4.379 1.00 0.00 H new ATOM 0 HA CYS A 7 5.293 0.283 -2.117 1.00 0.00 H new ATOM 0 HB2 CYS A 7 5.143 -0.734 -4.982 1.00 0.00 H new ATOM 0 HB3 CYS A 7 6.372 -1.230 -3.835 1.00 0.00 H new ATOM 100 N GLY A 8 7.422 1.273 -2.991 1.00 0.00 N ATOM 101 CA GLY A 8 8.576 2.008 -3.389 1.00 0.00 C ATOM 102 C GLY A 8 9.548 1.049 -3.973 1.00 0.00 C ATOM 103 O GLY A 8 9.370 0.562 -5.093 1.00 0.00 O ATOM 0 H GLY A 8 7.557 0.685 -2.169 1.00 0.00 H new ATOM 0 HA2 GLY A 8 8.309 2.772 -4.119 1.00 0.00 H new ATOM 0 HA3 GLY A 8 9.014 2.523 -2.534 1.00 0.00 H new ATOM 107 N ARG A 9 10.538 0.730 -3.222 1.00 0.00 N ATOM 108 CA ARG A 9 11.468 -0.282 -3.594 1.00 0.00 C ATOM 109 C ARG A 9 10.898 -1.620 -3.174 1.00 0.00 C ATOM 110 O ARG A 9 10.502 -2.414 -4.018 1.00 0.00 O ATOM 111 CB ARG A 9 12.841 -0.037 -2.969 1.00 0.00 C ATOM 112 CG ARG A 9 13.506 1.255 -3.424 1.00 0.00 C ATOM 113 CD ARG A 9 13.679 1.284 -4.926 1.00 0.00 C ATOM 114 NE ARG A 9 14.270 2.525 -5.392 1.00 0.00 N ATOM 115 CZ ARG A 9 14.441 2.844 -6.671 1.00 0.00 C ATOM 116 NH1 ARG A 9 14.153 1.961 -7.630 1.00 0.00 N ATOM 117 NH2 ARG A 9 14.919 4.031 -6.992 1.00 0.00 N ATOM 0 H ARG A 9 10.731 1.167 -2.321 1.00 0.00 H new ATOM 0 HA ARG A 9 11.618 -0.267 -4.674 1.00 0.00 H new ATOM 0 HB2 ARG A 9 12.737 -0.018 -1.884 1.00 0.00 H new ATOM 0 HB3 ARG A 9 13.494 -0.875 -3.212 1.00 0.00 H new ATOM 0 HG2 ARG A 9 12.904 2.107 -3.109 1.00 0.00 H new ATOM 0 HG3 ARG A 9 14.478 1.356 -2.942 1.00 0.00 H new ATOM 0 HD2 ARG A 9 14.308 0.448 -5.233 1.00 0.00 H new ATOM 0 HD3 ARG A 9 12.709 1.145 -5.403 1.00 0.00 H new ATOM 0 HE ARG A 9 14.575 3.199 -4.690 1.00 0.00 H new ATOM 0 HH11 ARG A 9 13.800 1.037 -7.383 1.00 0.00 H new ATOM 0 HH12 ARG A 9 14.286 2.211 -8.610 1.00 0.00 H new ATOM 0 HH21 ARG A 9 15.156 4.700 -6.260 1.00 0.00 H new ATOM 0 HH22 ARG A 9 15.052 4.279 -7.972 1.00 0.00 H new ATOM 131 N ARG A 10 10.816 -1.853 -1.876 1.00 0.00 N ATOM 132 CA ARG A 10 10.223 -3.089 -1.374 1.00 0.00 C ATOM 133 C ARG A 10 9.236 -2.861 -0.267 1.00 0.00 C ATOM 134 O ARG A 10 8.503 -3.771 0.112 1.00 0.00 O ATOM 135 CB ARG A 10 11.259 -4.129 -0.970 1.00 0.00 C ATOM 136 CG ARG A 10 11.930 -4.823 -2.138 1.00 0.00 C ATOM 137 CD ARG A 10 10.912 -5.549 -3.014 1.00 0.00 C ATOM 138 NE ARG A 10 10.006 -6.403 -2.227 1.00 0.00 N ATOM 139 CZ ARG A 10 8.677 -6.471 -2.403 1.00 0.00 C ATOM 140 NH1 ARG A 10 8.093 -5.789 -3.389 1.00 0.00 N ATOM 141 NH2 ARG A 10 7.932 -7.226 -1.598 1.00 0.00 N ATOM 0 H ARG A 10 11.147 -1.213 -1.154 1.00 0.00 H new ATOM 0 HA ARG A 10 9.671 -3.495 -2.222 1.00 0.00 H new ATOM 0 HB2 ARG A 10 12.023 -3.647 -0.361 1.00 0.00 H new ATOM 0 HB3 ARG A 10 10.778 -4.880 -0.343 1.00 0.00 H new ATOM 0 HG2 ARG A 10 12.471 -4.090 -2.737 1.00 0.00 H new ATOM 0 HG3 ARG A 10 12.666 -5.536 -1.766 1.00 0.00 H new ATOM 0 HD2 ARG A 10 10.326 -4.817 -3.570 1.00 0.00 H new ATOM 0 HD3 ARG A 10 11.438 -6.160 -3.748 1.00 0.00 H new ATOM 0 HE ARG A 10 10.418 -6.984 -1.497 1.00 0.00 H new ATOM 0 HH11 ARG A 10 8.657 -5.212 -4.014 1.00 0.00 H new ATOM 0 HH12 ARG A 10 7.083 -5.844 -3.518 1.00 0.00 H new ATOM 0 HH21 ARG A 10 8.371 -7.755 -0.845 1.00 0.00 H new ATOM 0 HH22 ARG A 10 6.922 -7.275 -1.735 1.00 0.00 H new ATOM 155 N ILE A 11 9.203 -1.675 0.246 1.00 0.00 N ATOM 156 CA ILE A 11 8.249 -1.360 1.269 1.00 0.00 C ATOM 157 C ILE A 11 6.993 -0.935 0.568 1.00 0.00 C ATOM 158 O ILE A 11 7.044 -0.225 -0.460 1.00 0.00 O ATOM 159 CB ILE A 11 8.735 -0.225 2.206 1.00 0.00 C ATOM 160 CG1 ILE A 11 10.130 -0.525 2.781 1.00 0.00 C ATOM 161 CG2 ILE A 11 7.730 0.059 3.333 1.00 0.00 C ATOM 162 CD1 ILE A 11 10.209 -1.810 3.590 1.00 0.00 C ATOM 0 H ILE A 11 9.820 -0.908 -0.022 1.00 0.00 H new ATOM 0 HA ILE A 11 8.094 -2.234 1.902 1.00 0.00 H new ATOM 0 HB ILE A 11 8.809 0.675 1.596 1.00 0.00 H new ATOM 0 HG12 ILE A 11 10.844 -0.582 1.960 1.00 0.00 H new ATOM 0 HG13 ILE A 11 10.437 0.308 3.413 1.00 0.00 H new ATOM 0 HG21 ILE A 11 8.110 0.861 3.966 1.00 0.00 H new ATOM 0 HG22 ILE A 11 6.775 0.359 2.902 1.00 0.00 H new ATOM 0 HG23 ILE A 11 7.591 -0.841 3.932 1.00 0.00 H new ATOM 0 HD11 ILE A 11 11.226 -1.946 3.958 1.00 0.00 H new ATOM 0 HD12 ILE A 11 9.522 -1.751 4.434 1.00 0.00 H new ATOM 0 HD13 ILE A 11 9.936 -2.655 2.958 1.00 0.00 H new ATOM 174 N CYS A 12 5.912 -1.360 1.081 1.00 0.00 N ATOM 175 CA CYS A 12 4.634 -1.101 0.499 1.00 0.00 C ATOM 176 C CYS A 12 3.652 -0.815 1.580 1.00 0.00 C ATOM 177 O CYS A 12 3.864 -1.177 2.733 1.00 0.00 O ATOM 178 CB CYS A 12 4.114 -2.290 -0.309 1.00 0.00 C ATOM 179 SG CYS A 12 5.195 -2.885 -1.656 1.00 0.00 S ATOM 0 H CYS A 12 5.874 -1.912 1.938 1.00 0.00 H new ATOM 0 HA CYS A 12 4.751 -0.250 -0.172 1.00 0.00 H new ATOM 0 HB2 CYS A 12 3.934 -3.118 0.377 1.00 0.00 H new ATOM 0 HB3 CYS A 12 3.150 -2.017 -0.739 1.00 0.00 H new ATOM 184 N ARG A 13 2.607 -0.167 1.217 1.00 0.00 N ATOM 185 CA ARG A 13 1.512 0.143 2.093 1.00 0.00 C ATOM 186 C ARG A 13 0.243 -0.040 1.343 1.00 0.00 C ATOM 187 O ARG A 13 -0.019 0.670 0.368 1.00 0.00 O ATOM 188 CB ARG A 13 1.597 1.570 2.639 1.00 0.00 C ATOM 189 CG ARG A 13 2.714 1.831 3.649 1.00 0.00 C ATOM 190 CD ARG A 13 2.487 1.118 4.991 1.00 0.00 C ATOM 191 NE ARG A 13 2.567 -0.344 4.900 1.00 0.00 N ATOM 192 CZ ARG A 13 2.107 -1.204 5.809 1.00 0.00 C ATOM 193 NH1 ARG A 13 1.556 -0.758 6.939 1.00 0.00 N ATOM 194 NH2 ARG A 13 2.207 -2.511 5.587 1.00 0.00 N ATOM 0 H ARG A 13 2.475 0.180 0.267 1.00 0.00 H new ATOM 0 HA ARG A 13 1.553 -0.528 2.951 1.00 0.00 H new ATOM 0 HB2 ARG A 13 1.726 2.253 1.799 1.00 0.00 H new ATOM 0 HB3 ARG A 13 0.644 1.817 3.108 1.00 0.00 H new ATOM 0 HG2 ARG A 13 3.663 1.503 3.226 1.00 0.00 H new ATOM 0 HG3 ARG A 13 2.796 2.904 3.823 1.00 0.00 H new ATOM 0 HD2 ARG A 13 3.227 1.470 5.710 1.00 0.00 H new ATOM 0 HD3 ARG A 13 1.508 1.396 5.380 1.00 0.00 H new ATOM 0 HE ARG A 13 3.013 -0.736 4.070 1.00 0.00 H new ATOM 0 HH11 ARG A 13 1.485 0.245 7.111 1.00 0.00 H new ATOM 0 HH12 ARG A 13 1.205 -1.420 7.631 1.00 0.00 H new ATOM 0 HH21 ARG A 13 2.634 -2.851 4.725 1.00 0.00 H new ATOM 0 HH22 ARG A 13 1.857 -3.174 6.279 1.00 0.00 H new ATOM 208 N CYS A 14 -0.497 -1.012 1.732 1.00 0.00 N ATOM 209 CA CYS A 14 -1.743 -1.290 1.133 1.00 0.00 C ATOM 210 C CYS A 14 -2.844 -0.652 1.936 1.00 0.00 C ATOM 211 O CYS A 14 -3.232 -1.140 2.998 1.00 0.00 O ATOM 212 CB CYS A 14 -1.937 -2.791 0.994 1.00 0.00 C ATOM 213 SG CYS A 14 -0.652 -3.618 -0.025 1.00 0.00 S ATOM 0 H CYS A 14 -0.246 -1.647 2.490 1.00 0.00 H new ATOM 0 HA CYS A 14 -1.771 -0.866 0.129 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -1.943 -3.240 1.987 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -2.915 -2.981 0.552 1.00 0.00 H new ATOM 218 N ILE A 15 -3.289 0.478 1.468 1.00 0.00 N ATOM 219 CA ILE A 15 -4.344 1.192 2.126 1.00 0.00 C ATOM 220 C ILE A 15 -5.686 0.750 1.577 1.00 0.00 C ATOM 221 O ILE A 15 -5.936 0.817 0.362 1.00 0.00 O ATOM 222 CB ILE A 15 -4.165 2.738 2.040 1.00 0.00 C ATOM 223 CG1 ILE A 15 -4.027 3.212 0.579 1.00 0.00 C ATOM 224 CG2 ILE A 15 -2.959 3.169 2.866 1.00 0.00 C ATOM 225 CD1 ILE A 15 -3.881 4.713 0.417 1.00 0.00 C ATOM 0 H ILE A 15 -2.933 0.928 0.625 1.00 0.00 H new ATOM 0 HA ILE A 15 -4.302 0.947 3.187 1.00 0.00 H new ATOM 0 HB ILE A 15 -5.060 3.207 2.449 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -3.160 2.725 0.132 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -4.902 2.882 0.019 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -2.841 4.251 2.801 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -3.110 2.883 3.907 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -2.062 2.682 2.482 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -3.790 4.958 -0.641 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -4.758 5.211 0.830 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -2.990 5.051 0.945 1.00 0.00 H new ATOM 237 N CYS A 16 -6.506 0.239 2.431 1.00 0.00 N ATOM 238 CA CYS A 16 -7.798 -0.250 2.043 1.00 0.00 C ATOM 239 C CYS A 16 -8.849 0.672 2.595 1.00 0.00 C ATOM 240 O CYS A 16 -8.951 0.847 3.811 1.00 0.00 O ATOM 241 CB CYS A 16 -7.993 -1.669 2.565 1.00 0.00 C ATOM 242 SG CYS A 16 -6.643 -2.823 2.112 1.00 0.00 S ATOM 0 H CYS A 16 -6.304 0.145 3.426 1.00 0.00 H new ATOM 0 HA CYS A 16 -7.879 -0.276 0.956 1.00 0.00 H new ATOM 0 HB2 CYS A 16 -8.080 -1.637 3.651 1.00 0.00 H new ATOM 0 HB3 CYS A 16 -8.935 -2.060 2.181 1.00 0.00 H new ATOM 247 N GLY A 17 -9.607 1.274 1.723 1.00 0.00 N ATOM 248 CA GLY A 17 -10.579 2.227 2.166 1.00 0.00 C ATOM 249 C GLY A 17 -11.964 1.679 2.096 1.00 0.00 C ATOM 250 O GLY A 17 -12.579 1.398 3.121 1.00 0.00 O ATOM 0 H GLY A 17 -9.571 1.124 0.715 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -10.357 2.523 3.191 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -10.512 3.126 1.553 1.00 0.00 H new