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 -11.864 -1.641 -1.260 1.00 0.00 N ATOM 9 CA ILE A 2 -10.767 -2.413 -1.760 1.00 0.00 C ATOM 10 C ILE A 2 -9.471 -1.819 -1.252 1.00 0.00 C ATOM 11 O ILE A 2 -9.435 -0.650 -0.812 1.00 0.00 O ATOM 12 CB ILE A 2 -10.799 -2.476 -3.327 1.00 0.00 C ATOM 13 CG1 ILE A 2 -9.740 -3.451 -3.895 1.00 0.00 C ATOM 14 CG2 ILE A 2 -10.651 -1.081 -3.943 1.00 0.00 C ATOM 15 CD1 ILE A 2 -9.793 -3.627 -5.400 1.00 0.00 C ATOM 0 HA ILE A 2 -10.847 -3.438 -1.399 1.00 0.00 H new ATOM 0 HB ILE A 2 -11.777 -2.867 -3.608 1.00 0.00 H new ATOM 0 HG12 ILE A 2 -8.749 -3.093 -3.618 1.00 0.00 H new ATOM 0 HG13 ILE A 2 -9.870 -4.425 -3.423 1.00 0.00 H new ATOM 0 HG21 ILE A 2 -10.677 -1.159 -5.030 1.00 0.00 H new ATOM 0 HG22 ILE A 2 -11.469 -0.445 -3.605 1.00 0.00 H new ATOM 0 HG23 ILE A 2 -9.701 -0.645 -3.633 1.00 0.00 H new ATOM 0 HD11 ILE A 2 -9.017 -4.326 -5.712 1.00 0.00 H new ATOM 0 HD12 ILE A 2 -10.770 -4.017 -5.687 1.00 0.00 H new ATOM 0 HD13 ILE A 2 -9.630 -2.664 -5.885 1.00 0.00 H new ATOM 27 N CYS A 3 -8.437 -2.595 -1.267 1.00 0.00 N ATOM 28 CA CYS A 3 -7.181 -2.140 -0.792 1.00 0.00 C ATOM 29 C CYS A 3 -6.213 -1.974 -1.935 1.00 0.00 C ATOM 30 O CYS A 3 -6.259 -2.700 -2.926 1.00 0.00 O ATOM 31 CB CYS A 3 -6.652 -3.036 0.319 1.00 0.00 C ATOM 32 SG CYS A 3 -7.904 -3.384 1.630 1.00 0.00 S ATOM 0 H CYS A 3 -8.443 -3.556 -1.608 1.00 0.00 H new ATOM 0 HA CYS A 3 -7.309 -1.155 -0.344 1.00 0.00 H new ATOM 0 HB2 CYS A 3 -6.315 -3.979 -0.112 1.00 0.00 H new ATOM 0 HB3 CYS A 3 -5.781 -2.564 0.774 1.00 0.00 H new ATOM 37 N ARG A 4 -5.395 -0.981 -1.811 1.00 0.00 N ATOM 38 CA ARG A 4 -4.456 -0.586 -2.831 1.00 0.00 C ATOM 39 C ARG A 4 -3.064 -0.811 -2.315 1.00 0.00 C ATOM 40 O ARG A 4 -2.662 -0.196 -1.324 1.00 0.00 O ATOM 41 CB ARG A 4 -4.657 0.895 -3.115 1.00 0.00 C ATOM 42 CG ARG A 4 -6.055 1.242 -3.594 1.00 0.00 C ATOM 43 CD ARG A 4 -6.349 2.706 -3.389 1.00 0.00 C ATOM 44 NE ARG A 4 -6.316 3.055 -1.951 1.00 0.00 N ATOM 45 CZ ARG A 4 -6.655 4.244 -1.440 1.00 0.00 C ATOM 46 NH1 ARG A 4 -7.090 5.210 -2.232 1.00 0.00 N ATOM 47 NH2 ARG A 4 -6.576 4.450 -0.128 1.00 0.00 N ATOM 0 H ARG A 4 -5.354 -0.399 -0.975 1.00 0.00 H new ATOM 0 HA ARG A 4 -4.607 -1.165 -3.742 1.00 0.00 H new ATOM 0 HB2 ARG A 4 -4.442 1.462 -2.209 1.00 0.00 H new ATOM 0 HB3 ARG A 4 -3.936 1.212 -3.868 1.00 0.00 H new ATOM 0 HG2 ARG A 4 -6.154 0.992 -4.650 1.00 0.00 H new ATOM 0 HG3 ARG A 4 -6.787 0.641 -3.055 1.00 0.00 H new ATOM 0 HD2 ARG A 4 -5.618 3.307 -3.930 1.00 0.00 H new ATOM 0 HD3 ARG A 4 -7.328 2.946 -3.803 1.00 0.00 H new ATOM 0 HE ARG A 4 -6.011 2.333 -1.299 1.00 0.00 H new ATOM 0 HH11 ARG A 4 -7.168 5.050 -3.236 1.00 0.00 H new ATOM 0 HH12 ARG A 4 -7.347 6.115 -1.838 1.00 0.00 H new ATOM 0 HH21 ARG A 4 -6.257 3.702 0.487 1.00 0.00 H new ATOM 0 HH22 ARG A 4 -6.834 5.356 0.262 1.00 0.00 H new ATOM 61 N CYS A 5 -2.350 -1.704 -2.921 1.00 0.00 N ATOM 62 CA CYS A 5 -1.020 -1.977 -2.511 1.00 0.00 C ATOM 63 C CYS A 5 -0.045 -1.085 -3.242 1.00 0.00 C ATOM 64 O CYS A 5 0.298 -1.314 -4.410 1.00 0.00 O ATOM 65 CB CYS A 5 -0.722 -3.451 -2.682 1.00 0.00 C ATOM 66 SG CYS A 5 -1.869 -4.541 -1.741 1.00 0.00 S ATOM 0 H CYS A 5 -2.676 -2.261 -3.711 1.00 0.00 H new ATOM 0 HA CYS A 5 -0.906 -1.749 -1.451 1.00 0.00 H new ATOM 0 HB2 CYS A 5 -0.777 -3.705 -3.741 1.00 0.00 H new ATOM 0 HB3 CYS A 5 0.301 -3.647 -2.360 1.00 0.00 H new ATOM 71 N ILE A 6 0.356 -0.038 -2.560 1.00 0.00 N ATOM 72 CA ILE A 6 1.248 0.937 -3.080 1.00 0.00 C ATOM 73 C ILE A 6 2.650 0.622 -2.601 1.00 0.00 C ATOM 74 O ILE A 6 2.840 0.199 -1.451 1.00 0.00 O ATOM 75 CB ILE A 6 0.837 2.388 -2.665 1.00 0.00 C ATOM 76 CG1 ILE A 6 0.853 2.558 -1.127 1.00 0.00 C ATOM 77 CG2 ILE A 6 -0.552 2.713 -3.218 1.00 0.00 C ATOM 78 CD1 ILE A 6 0.554 3.967 -0.647 1.00 0.00 C ATOM 0 H ILE A 6 0.055 0.152 -1.604 1.00 0.00 H new ATOM 0 HA ILE A 6 1.208 0.899 -4.169 1.00 0.00 H new ATOM 0 HB ILE A 6 1.565 3.082 -3.086 1.00 0.00 H new ATOM 0 HG12 ILE A 6 0.123 1.876 -0.691 1.00 0.00 H new ATOM 0 HG13 ILE A 6 1.832 2.260 -0.751 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -0.832 3.725 -2.925 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -0.537 2.641 -4.305 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -1.278 2.005 -2.818 1.00 0.00 H new ATOM 0 HD11 ILE A 6 0.586 3.995 0.442 1.00 0.00 H new ATOM 0 HD12 ILE A 6 1.298 4.654 -1.050 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -0.437 4.265 -0.989 1.00 0.00 H new ATOM 90 N CYS A 7 3.602 0.786 -3.444 1.00 0.00 N ATOM 91 CA CYS A 7 4.960 0.459 -3.110 1.00 0.00 C ATOM 92 C CYS A 7 5.850 1.677 -3.168 1.00 0.00 C ATOM 93 O CYS A 7 5.635 2.590 -3.993 1.00 0.00 O ATOM 94 CB CYS A 7 5.485 -0.644 -4.023 1.00 0.00 C ATOM 95 SG CYS A 7 4.520 -2.201 -3.945 1.00 0.00 S ATOM 0 H CYS A 7 3.474 1.150 -4.388 1.00 0.00 H new ATOM 0 HA CYS A 7 4.974 0.092 -2.084 1.00 0.00 H new ATOM 0 HB2 CYS A 7 5.486 -0.281 -5.051 1.00 0.00 H new ATOM 0 HB3 CYS A 7 6.521 -0.857 -3.759 1.00 0.00 H new ATOM 100 N GLY A 8 6.809 1.717 -2.273 1.00 0.00 N ATOM 101 CA GLY A 8 7.757 2.783 -2.243 1.00 0.00 C ATOM 102 C GLY A 8 8.974 2.413 -3.020 1.00 0.00 C ATOM 103 O GLY A 8 8.955 2.396 -4.261 1.00 0.00 O ATOM 0 H GLY A 8 6.946 1.009 -1.551 1.00 0.00 H new ATOM 0 HA2 GLY A 8 7.312 3.687 -2.659 1.00 0.00 H new ATOM 0 HA3 GLY A 8 8.030 3.008 -1.212 1.00 0.00 H new ATOM 107 N ARG A 9 10.021 2.103 -2.322 1.00 0.00 N ATOM 108 CA ARG A 9 11.235 1.674 -2.961 1.00 0.00 C ATOM 109 C ARG A 9 11.278 0.150 -3.021 1.00 0.00 C ATOM 110 O ARG A 9 11.398 -0.429 -4.096 1.00 0.00 O ATOM 111 CB ARG A 9 12.472 2.248 -2.252 1.00 0.00 C ATOM 112 CG ARG A 9 13.798 1.853 -2.891 1.00 0.00 C ATOM 113 CD ARG A 9 13.856 2.262 -4.356 1.00 0.00 C ATOM 114 NE ARG A 9 15.122 1.891 -4.988 1.00 0.00 N ATOM 115 CZ ARG A 9 15.275 1.578 -6.281 1.00 0.00 C ATOM 116 NH1 ARG A 9 14.221 1.562 -7.101 1.00 0.00 N ATOM 117 NH2 ARG A 9 16.486 1.288 -6.750 1.00 0.00 N ATOM 0 H ARG A 9 10.064 2.138 -1.303 1.00 0.00 H new ATOM 0 HA ARG A 9 11.249 2.059 -3.981 1.00 0.00 H new ATOM 0 HB2 ARG A 9 12.397 3.335 -2.239 1.00 0.00 H new ATOM 0 HB3 ARG A 9 12.469 1.916 -1.214 1.00 0.00 H new ATOM 0 HG2 ARG A 9 14.619 2.323 -2.348 1.00 0.00 H new ATOM 0 HG3 ARG A 9 13.936 0.775 -2.808 1.00 0.00 H new ATOM 0 HD2 ARG A 9 13.033 1.793 -4.894 1.00 0.00 H new ATOM 0 HD3 ARG A 9 13.715 3.340 -4.435 1.00 0.00 H new ATOM 0 HE ARG A 9 15.953 1.869 -4.398 1.00 0.00 H new ATOM 0 HH11 ARG A 9 13.293 1.789 -6.743 1.00 0.00 H new ATOM 0 HH12 ARG A 9 14.344 1.323 -8.085 1.00 0.00 H new ATOM 0 HH21 ARG A 9 17.292 1.305 -6.125 1.00 0.00 H new ATOM 0 HH22 ARG A 9 16.608 1.049 -7.734 1.00 0.00 H new ATOM 131 N ARG A 10 11.152 -0.489 -1.884 1.00 0.00 N ATOM 132 CA ARG A 10 11.169 -1.942 -1.821 1.00 0.00 C ATOM 133 C ARG A 10 10.115 -2.488 -0.860 1.00 0.00 C ATOM 134 O ARG A 10 9.961 -3.698 -0.715 1.00 0.00 O ATOM 135 CB ARG A 10 12.563 -2.474 -1.455 1.00 0.00 C ATOM 136 CG ARG A 10 13.130 -1.916 -0.156 1.00 0.00 C ATOM 137 CD ARG A 10 14.447 -2.585 0.209 1.00 0.00 C ATOM 138 NE ARG A 10 15.472 -2.455 -0.839 1.00 0.00 N ATOM 139 CZ ARG A 10 16.478 -3.321 -1.027 1.00 0.00 C ATOM 140 NH1 ARG A 10 16.628 -4.354 -0.210 1.00 0.00 N ATOM 141 NH2 ARG A 10 17.345 -3.131 -2.014 1.00 0.00 N ATOM 0 H ARG A 10 11.036 -0.029 -0.981 1.00 0.00 H new ATOM 0 HA ARG A 10 10.920 -2.300 -2.820 1.00 0.00 H new ATOM 0 HB2 ARG A 10 12.515 -3.560 -1.379 1.00 0.00 H new ATOM 0 HB3 ARG A 10 13.252 -2.241 -2.267 1.00 0.00 H new ATOM 0 HG2 ARG A 10 13.282 -0.841 -0.256 1.00 0.00 H new ATOM 0 HG3 ARG A 10 12.410 -2.063 0.649 1.00 0.00 H new ATOM 0 HD2 ARG A 10 14.825 -2.149 1.134 1.00 0.00 H new ATOM 0 HD3 ARG A 10 14.268 -3.642 0.405 1.00 0.00 H new ATOM 0 HE ARG A 10 15.413 -1.652 -1.465 1.00 0.00 H new ATOM 0 HH11 ARG A 10 15.977 -4.491 0.563 1.00 0.00 H new ATOM 0 HH12 ARG A 10 17.394 -5.012 -0.355 1.00 0.00 H new ATOM 0 HH21 ARG A 10 17.247 -2.325 -2.631 1.00 0.00 H new ATOM 0 HH22 ARG A 10 18.110 -3.791 -2.155 1.00 0.00 H new ATOM 155 N ILE A 11 9.399 -1.615 -0.209 1.00 0.00 N ATOM 156 CA ILE A 11 8.369 -2.028 0.727 1.00 0.00 C ATOM 157 C ILE A 11 7.034 -1.539 0.193 1.00 0.00 C ATOM 158 O ILE A 11 6.984 -0.534 -0.536 1.00 0.00 O ATOM 159 CB ILE A 11 8.609 -1.442 2.156 1.00 0.00 C ATOM 160 CG1 ILE A 11 10.044 -1.727 2.626 1.00 0.00 C ATOM 161 CG2 ILE A 11 7.609 -2.021 3.166 1.00 0.00 C ATOM 162 CD1 ILE A 11 10.378 -1.151 3.986 1.00 0.00 C ATOM 0 H ILE A 11 9.504 -0.605 -0.304 1.00 0.00 H new ATOM 0 HA ILE A 11 8.387 -3.114 0.818 1.00 0.00 H new ATOM 0 HB ILE A 11 8.461 -0.364 2.099 1.00 0.00 H new ATOM 0 HG12 ILE A 11 10.198 -2.806 2.653 1.00 0.00 H new ATOM 0 HG13 ILE A 11 10.742 -1.324 1.892 1.00 0.00 H new ATOM 0 HG21 ILE A 11 7.800 -1.596 4.151 1.00 0.00 H new ATOM 0 HG22 ILE A 11 6.594 -1.775 2.855 1.00 0.00 H new ATOM 0 HG23 ILE A 11 7.722 -3.104 3.210 1.00 0.00 H new ATOM 0 HD11 ILE A 11 11.408 -1.397 4.242 1.00 0.00 H new ATOM 0 HD12 ILE A 11 10.259 -0.068 3.962 1.00 0.00 H new ATOM 0 HD13 ILE A 11 9.707 -1.573 4.734 1.00 0.00 H new ATOM 174 N CYS A 12 5.982 -2.232 0.518 1.00 0.00 N ATOM 175 CA CYS A 12 4.676 -1.882 0.051 1.00 0.00 C ATOM 176 C CYS A 12 3.702 -1.832 1.203 1.00 0.00 C ATOM 177 O CYS A 12 3.915 -2.453 2.251 1.00 0.00 O ATOM 178 CB CYS A 12 4.178 -2.877 -0.991 1.00 0.00 C ATOM 179 SG CYS A 12 5.333 -3.193 -2.373 1.00 0.00 S ATOM 0 H CYS A 12 6.007 -3.058 1.116 1.00 0.00 H new ATOM 0 HA CYS A 12 4.743 -0.897 -0.412 1.00 0.00 H new ATOM 0 HB2 CYS A 12 3.962 -3.823 -0.494 1.00 0.00 H new ATOM 0 HB3 CYS A 12 3.237 -2.510 -1.401 1.00 0.00 H new ATOM 184 N ARG A 13 2.648 -1.111 0.997 1.00 0.00 N ATOM 185 CA ARG A 13 1.598 -0.924 1.964 1.00 0.00 C ATOM 186 C ARG A 13 0.283 -1.090 1.264 1.00 0.00 C ATOM 187 O ARG A 13 0.024 -0.419 0.257 1.00 0.00 O ATOM 188 CB ARG A 13 1.637 0.489 2.549 1.00 0.00 C ATOM 189 CG ARG A 13 2.847 0.826 3.390 1.00 0.00 C ATOM 190 CD ARG A 13 2.838 2.303 3.729 1.00 0.00 C ATOM 191 NE ARG A 13 3.947 2.692 4.597 1.00 0.00 N ATOM 192 CZ ARG A 13 5.058 3.315 4.192 1.00 0.00 C ATOM 193 NH1 ARG A 13 5.341 3.409 2.893 1.00 0.00 N ATOM 194 NH2 ARG A 13 5.912 3.790 5.089 1.00 0.00 N ATOM 0 H ARG A 13 2.482 -0.615 0.121 1.00 0.00 H new ATOM 0 HA ARG A 13 1.728 -1.649 2.767 1.00 0.00 H new ATOM 0 HB2 ARG A 13 1.581 1.203 1.727 1.00 0.00 H new ATOM 0 HB3 ARG A 13 0.745 0.633 3.158 1.00 0.00 H new ATOM 0 HG2 ARG A 13 2.843 0.233 4.305 1.00 0.00 H new ATOM 0 HG3 ARG A 13 3.759 0.572 2.850 1.00 0.00 H new ATOM 0 HD2 ARG A 13 2.884 2.883 2.807 1.00 0.00 H new ATOM 0 HD3 ARG A 13 1.896 2.553 4.217 1.00 0.00 H new ATOM 0 HE ARG A 13 3.867 2.471 5.590 1.00 0.00 H new ATOM 0 HH11 ARG A 13 4.708 3.004 2.203 1.00 0.00 H new ATOM 0 HH12 ARG A 13 6.190 3.886 2.589 1.00 0.00 H new ATOM 0 HH21 ARG A 13 5.720 3.679 6.085 1.00 0.00 H new ATOM 0 HH22 ARG A 13 6.761 4.266 4.783 1.00 0.00 H new ATOM 208 N CYS A 14 -0.521 -1.979 1.734 1.00 0.00 N ATOM 209 CA CYS A 14 -1.815 -2.136 1.201 1.00 0.00 C ATOM 210 C CYS A 14 -2.760 -1.268 1.982 1.00 0.00 C ATOM 211 O CYS A 14 -3.168 -1.589 3.103 1.00 0.00 O ATOM 212 CB CYS A 14 -2.208 -3.605 1.178 1.00 0.00 C ATOM 213 SG CYS A 14 -1.088 -4.642 0.144 1.00 0.00 S ATOM 0 H CYS A 14 -0.293 -2.614 2.499 1.00 0.00 H new ATOM 0 HA CYS A 14 -1.852 -1.810 0.161 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -2.210 -3.990 2.198 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -3.227 -3.696 0.801 1.00 0.00 H new ATOM 218 N ILE A 15 -3.046 -0.130 1.409 1.00 0.00 N ATOM 219 CA ILE A 15 -3.865 0.853 2.030 1.00 0.00 C ATOM 220 C ILE A 15 -5.301 0.707 1.558 1.00 0.00 C ATOM 221 O ILE A 15 -5.607 0.819 0.352 1.00 0.00 O ATOM 222 CB ILE A 15 -3.314 2.307 1.815 1.00 0.00 C ATOM 223 CG1 ILE A 15 -4.218 3.346 2.498 1.00 0.00 C ATOM 224 CG2 ILE A 15 -3.106 2.635 0.330 1.00 0.00 C ATOM 225 CD1 ILE A 15 -3.718 4.769 2.390 1.00 0.00 C ATOM 0 H ILE A 15 -2.707 0.136 0.484 1.00 0.00 H new ATOM 0 HA ILE A 15 -3.842 0.684 3.107 1.00 0.00 H new ATOM 0 HB ILE A 15 -2.332 2.352 2.287 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -5.214 3.289 2.059 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -4.318 3.087 3.552 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -2.724 3.651 0.232 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -2.390 1.935 -0.100 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -4.056 2.552 -0.197 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -4.413 5.438 2.897 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -2.735 4.846 2.855 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -3.645 5.050 1.339 1.00 0.00 H new ATOM 237 N CYS A 16 -6.154 0.397 2.475 1.00 0.00 N ATOM 238 CA CYS A 16 -7.544 0.210 2.187 1.00 0.00 C ATOM 239 C CYS A 16 -8.243 1.542 2.121 1.00 0.00 C ATOM 240 O CYS A 16 -7.977 2.428 2.942 1.00 0.00 O ATOM 241 CB CYS A 16 -8.161 -0.740 3.199 1.00 0.00 C ATOM 242 SG CYS A 16 -7.285 -2.355 3.279 1.00 0.00 S ATOM 0 H CYS A 16 -5.908 0.264 3.456 1.00 0.00 H new ATOM 0 HA CYS A 16 -7.663 -0.254 1.208 1.00 0.00 H new ATOM 0 HB2 CYS A 16 -8.147 -0.274 4.184 1.00 0.00 H new ATOM 0 HB3 CYS A 16 -9.206 -0.910 2.942 1.00 0.00 H new ATOM 247 N GLY A 17 -9.081 1.718 1.113 1.00 0.00 N ATOM 248 CA GLY A 17 -9.735 2.981 0.947 1.00 0.00 C ATOM 249 C GLY A 17 -11.215 2.838 1.043 1.00 0.00 C ATOM 250 O GLY A 17 -11.806 2.990 2.128 1.00 0.00 O ATOM 0 H GLY A 17 -9.314 1.011 0.416 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -9.384 3.678 1.708 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -9.470 3.406 -0.021 1.00 0.00 H new