USER MOD reduce.3.24.130724 H: found=0, std=0, add=127, rem=0, adj=0 USER MOD reduce.3.24.130724 removed 128 hydrogens (0 hets) ATOM 8 N VAL A 2 -10.910 -2.791 -1.404 1.00 0.00 N ATOM 9 CA VAL A 2 -9.861 -2.848 -2.399 1.00 0.00 C ATOM 10 C VAL A 2 -8.513 -2.797 -1.694 1.00 0.00 C ATOM 11 O VAL A 2 -8.286 -1.953 -0.824 1.00 0.00 O ATOM 12 CB VAL A 2 -9.964 -1.660 -3.406 1.00 0.00 C ATOM 13 CG1 VAL A 2 -8.922 -1.783 -4.516 1.00 0.00 C ATOM 14 CG2 VAL A 2 -11.366 -1.559 -3.999 1.00 0.00 C ATOM 0 HA VAL A 2 -9.966 -3.776 -2.961 1.00 0.00 H new ATOM 0 HB VAL A 2 -9.762 -0.744 -2.851 1.00 0.00 H new ATOM 0 HG11 VAL A 2 -9.019 -0.941 -5.201 1.00 0.00 H new ATOM 0 HG12 VAL A 2 -7.923 -1.782 -4.079 1.00 0.00 H new ATOM 0 HG13 VAL A 2 -9.079 -2.714 -5.061 1.00 0.00 H new ATOM 0 HG21 VAL A 2 -11.407 -0.722 -4.697 1.00 0.00 H new ATOM 0 HG22 VAL A 2 -11.606 -2.483 -4.526 1.00 0.00 H new ATOM 0 HG23 VAL A 2 -12.089 -1.400 -3.199 1.00 0.00 H new ATOM 24 N CYS A 3 -7.640 -3.695 -2.035 1.00 0.00 N ATOM 25 CA CYS A 3 -6.334 -3.727 -1.436 1.00 0.00 C ATOM 26 C CYS A 3 -5.297 -3.150 -2.381 1.00 0.00 C ATOM 27 O CYS A 3 -5.279 -3.466 -3.585 1.00 0.00 O ATOM 28 CB CYS A 3 -5.965 -5.144 -1.004 1.00 0.00 C ATOM 29 SG CYS A 3 -7.113 -5.853 0.226 1.00 0.00 S ATOM 0 H CYS A 3 -7.807 -4.422 -2.730 1.00 0.00 H new ATOM 0 HA CYS A 3 -6.354 -3.105 -0.541 1.00 0.00 H new ATOM 0 HB2 CYS A 3 -5.943 -5.789 -1.882 1.00 0.00 H new ATOM 0 HB3 CYS A 3 -4.958 -5.138 -0.588 1.00 0.00 H new ATOM 34 N ARG A 4 -4.462 -2.295 -1.856 1.00 0.00 N ATOM 35 CA ARG A 4 -3.425 -1.655 -2.619 1.00 0.00 C ATOM 36 C ARG A 4 -2.107 -1.866 -1.907 1.00 0.00 C ATOM 37 O ARG A 4 -2.047 -1.791 -0.675 1.00 0.00 O ATOM 38 CB ARG A 4 -3.710 -0.150 -2.737 1.00 0.00 C ATOM 39 CG ARG A 4 -2.716 0.605 -3.617 1.00 0.00 C ATOM 40 CD ARG A 4 -2.955 2.110 -3.590 1.00 0.00 C ATOM 41 NE ARG A 4 -4.318 2.472 -4.004 1.00 0.00 N ATOM 42 CZ ARG A 4 -4.746 3.709 -4.283 1.00 0.00 C ATOM 43 NH1 ARG A 4 -3.901 4.743 -4.257 1.00 0.00 N ATOM 44 NH2 ARG A 4 -6.018 3.898 -4.612 1.00 0.00 N ATOM 0 H ARG A 4 -4.483 -2.020 -0.874 1.00 0.00 H new ATOM 0 HA ARG A 4 -3.386 -2.083 -3.621 1.00 0.00 H new ATOM 0 HB2 ARG A 4 -4.713 -0.011 -3.139 1.00 0.00 H new ATOM 0 HB3 ARG A 4 -3.703 0.290 -1.740 1.00 0.00 H new ATOM 0 HG2 ARG A 4 -1.701 0.393 -3.281 1.00 0.00 H new ATOM 0 HG3 ARG A 4 -2.794 0.244 -4.643 1.00 0.00 H new ATOM 0 HD2 ARG A 4 -2.773 2.485 -2.583 1.00 0.00 H new ATOM 0 HD3 ARG A 4 -2.237 2.600 -4.247 1.00 0.00 H new ATOM 0 HE ARG A 4 -4.997 1.715 -4.086 1.00 0.00 H new ATOM 0 HH11 ARG A 4 -2.919 4.594 -4.023 1.00 0.00 H new ATOM 0 HH12 ARG A 4 -4.237 5.682 -4.471 1.00 0.00 H new ATOM 0 HH21 ARG A 4 -6.658 3.105 -4.650 1.00 0.00 H new ATOM 0 HH22 ARG A 4 -6.355 4.836 -4.827 1.00 0.00 H new ATOM 58 N CYS A 5 -1.074 -2.155 -2.639 1.00 0.00 N ATOM 59 CA CYS A 5 0.212 -2.324 -2.026 1.00 0.00 C ATOM 60 C CYS A 5 1.118 -1.177 -2.370 1.00 0.00 C ATOM 61 O CYS A 5 1.256 -0.780 -3.536 1.00 0.00 O ATOM 62 CB CYS A 5 0.849 -3.657 -2.365 1.00 0.00 C ATOM 63 SG CYS A 5 -0.186 -5.109 -1.943 1.00 0.00 S ATOM 0 H CYS A 5 -1.093 -2.278 -3.651 1.00 0.00 H new ATOM 0 HA CYS A 5 0.056 -2.327 -0.947 1.00 0.00 H new ATOM 0 HB2 CYS A 5 1.071 -3.680 -3.432 1.00 0.00 H new ATOM 0 HB3 CYS A 5 1.800 -3.737 -1.839 1.00 0.00 H new ATOM 68 N VAL A 6 1.695 -0.633 -1.360 1.00 0.00 N ATOM 69 CA VAL A 6 2.595 0.478 -1.481 1.00 0.00 C ATOM 70 C VAL A 6 3.996 -0.048 -1.267 1.00 0.00 C ATOM 71 O VAL A 6 4.313 -0.572 -0.187 1.00 0.00 O ATOM 72 CB VAL A 6 2.288 1.568 -0.417 1.00 0.00 C ATOM 73 CG1 VAL A 6 3.162 2.793 -0.623 1.00 0.00 C ATOM 74 CG2 VAL A 6 0.813 1.955 -0.431 1.00 0.00 C ATOM 0 H VAL A 6 1.557 -0.949 -0.400 1.00 0.00 H new ATOM 0 HA VAL A 6 2.485 0.933 -2.465 1.00 0.00 H new ATOM 0 HB VAL A 6 2.517 1.145 0.561 1.00 0.00 H new ATOM 0 HG11 VAL A 6 2.926 3.540 0.135 1.00 0.00 H new ATOM 0 HG12 VAL A 6 4.211 2.510 -0.539 1.00 0.00 H new ATOM 0 HG13 VAL A 6 2.977 3.210 -1.613 1.00 0.00 H new ATOM 0 HG21 VAL A 6 0.630 2.719 0.324 1.00 0.00 H new ATOM 0 HG22 VAL A 6 0.549 2.345 -1.414 1.00 0.00 H new ATOM 0 HG23 VAL A 6 0.204 1.077 -0.214 1.00 0.00 H new ATOM 84 N CYS A 7 4.816 0.053 -2.261 1.00 0.00 N ATOM 85 CA CYS A 7 6.148 -0.469 -2.172 1.00 0.00 C ATOM 86 C CYS A 7 7.170 0.631 -2.108 1.00 0.00 C ATOM 87 O CYS A 7 7.140 1.589 -2.899 1.00 0.00 O ATOM 88 CB CYS A 7 6.452 -1.435 -3.311 1.00 0.00 C ATOM 89 SG CYS A 7 5.372 -2.911 -3.345 1.00 0.00 S ATOM 0 H CYS A 7 4.589 0.495 -3.152 1.00 0.00 H new ATOM 0 HA CYS A 7 6.208 -1.031 -1.240 1.00 0.00 H new ATOM 0 HB2 CYS A 7 6.355 -0.905 -4.259 1.00 0.00 H new ATOM 0 HB3 CYS A 7 7.490 -1.759 -3.232 1.00 0.00 H new ATOM 94 N ARG A 8 8.047 0.508 -1.161 1.00 0.00 N ATOM 95 CA ARG A 8 9.102 1.463 -0.970 1.00 0.00 C ATOM 96 C ARG A 8 10.382 0.749 -0.593 1.00 0.00 C ATOM 97 O ARG A 8 10.443 0.083 0.443 1.00 0.00 O ATOM 98 CB ARG A 8 8.727 2.498 0.106 1.00 0.00 C ATOM 99 CG ARG A 8 9.839 3.494 0.420 1.00 0.00 C ATOM 100 CD ARG A 8 10.221 4.321 -0.798 1.00 0.00 C ATOM 101 NE ARG A 8 11.389 5.164 -0.539 1.00 0.00 N ATOM 102 CZ ARG A 8 11.908 6.044 -1.408 1.00 0.00 C ATOM 103 NH1 ARG A 8 11.322 6.260 -2.581 1.00 0.00 N ATOM 104 NH2 ARG A 8 13.003 6.715 -1.094 1.00 0.00 N ATOM 0 H ARG A 8 8.054 -0.262 -0.492 1.00 0.00 H new ATOM 0 HA ARG A 8 9.255 1.997 -1.908 1.00 0.00 H new ATOM 0 HB2 ARG A 8 7.844 3.046 -0.223 1.00 0.00 H new ATOM 0 HB3 ARG A 8 8.454 1.973 1.021 1.00 0.00 H new ATOM 0 HG2 ARG A 8 9.516 4.157 1.222 1.00 0.00 H new ATOM 0 HG3 ARG A 8 10.715 2.957 0.783 1.00 0.00 H new ATOM 0 HD2 ARG A 8 10.431 3.657 -1.637 1.00 0.00 H new ATOM 0 HD3 ARG A 8 9.378 4.948 -1.091 1.00 0.00 H new ATOM 0 HE ARG A 8 11.842 5.076 0.370 1.00 0.00 H new ATOM 0 HH11 ARG A 8 10.471 5.755 -2.826 1.00 0.00 H new ATOM 0 HH12 ARG A 8 11.724 6.931 -3.236 1.00 0.00 H new ATOM 0 HH21 ARG A 8 13.453 6.563 -0.191 1.00 0.00 H new ATOM 0 HH22 ARG A 8 13.398 7.384 -1.755 1.00 0.00 H new ATOM 118 N ARG A 9 11.371 0.856 -1.471 1.00 0.00 N ATOM 119 CA ARG A 9 12.709 0.297 -1.285 1.00 0.00 C ATOM 120 C ARG A 9 12.629 -1.229 -1.086 1.00 0.00 C ATOM 121 O ARG A 9 13.375 -1.828 -0.311 1.00 0.00 O ATOM 122 CB ARG A 9 13.432 1.017 -0.120 1.00 0.00 C ATOM 123 CG ARG A 9 14.923 0.734 -0.027 1.00 0.00 C ATOM 124 CD ARG A 9 15.580 1.543 1.075 1.00 0.00 C ATOM 125 NE ARG A 9 15.078 1.190 2.407 1.00 0.00 N ATOM 126 CZ ARG A 9 15.181 1.960 3.496 1.00 0.00 C ATOM 127 NH1 ARG A 9 15.752 3.157 3.425 1.00 0.00 N ATOM 128 NH2 ARG A 9 14.712 1.525 4.653 1.00 0.00 N ATOM 0 H ARG A 9 11.264 1.348 -2.358 1.00 0.00 H new ATOM 0 HA ARG A 9 13.304 0.467 -2.182 1.00 0.00 H new ATOM 0 HB2 ARG A 9 13.286 2.092 -0.228 1.00 0.00 H new ATOM 0 HB3 ARG A 9 12.961 0.724 0.818 1.00 0.00 H new ATOM 0 HG2 ARG A 9 15.081 -0.329 0.158 1.00 0.00 H new ATOM 0 HG3 ARG A 9 15.397 0.965 -0.981 1.00 0.00 H new ATOM 0 HD2 ARG A 9 16.658 1.386 1.043 1.00 0.00 H new ATOM 0 HD3 ARG A 9 15.407 2.604 0.895 1.00 0.00 H new ATOM 0 HE ARG A 9 14.614 0.287 2.511 1.00 0.00 H new ATOM 0 HH11 ARG A 9 16.116 3.496 2.535 1.00 0.00 H new ATOM 0 HH12 ARG A 9 15.826 3.737 4.261 1.00 0.00 H new ATOM 0 HH21 ARG A 9 14.274 0.606 4.713 1.00 0.00 H new ATOM 0 HH22 ARG A 9 14.788 2.109 5.486 1.00 0.00 H new ATOM 142 N GLY A 10 11.676 -1.836 -1.767 1.00 0.00 N ATOM 143 CA GLY A 10 11.494 -3.265 -1.689 1.00 0.00 C ATOM 144 C GLY A 10 10.514 -3.676 -0.611 1.00 0.00 C ATOM 145 O GLY A 10 9.980 -4.796 -0.629 1.00 0.00 O ATOM 0 H GLY A 10 11.017 -1.357 -2.380 1.00 0.00 H new ATOM 0 HA2 GLY A 10 11.143 -3.635 -2.652 1.00 0.00 H new ATOM 0 HA3 GLY A 10 12.457 -3.739 -1.498 1.00 0.00 H new ATOM 149 N VAL A 11 10.274 -2.790 0.330 1.00 0.00 N ATOM 150 CA VAL A 11 9.350 -3.057 1.406 1.00 0.00 C ATOM 151 C VAL A 11 7.955 -2.742 0.930 1.00 0.00 C ATOM 152 O VAL A 11 7.618 -1.579 0.660 1.00 0.00 O ATOM 153 CB VAL A 11 9.673 -2.211 2.665 1.00 0.00 C ATOM 154 CG1 VAL A 11 8.680 -2.495 3.791 1.00 0.00 C ATOM 155 CG2 VAL A 11 11.091 -2.474 3.133 1.00 0.00 C ATOM 0 H VAL A 11 10.712 -1.870 0.370 1.00 0.00 H new ATOM 0 HA VAL A 11 9.436 -4.107 1.685 1.00 0.00 H new ATOM 0 HB VAL A 11 9.583 -1.159 2.393 1.00 0.00 H new ATOM 0 HG11 VAL A 11 8.932 -1.887 4.660 1.00 0.00 H new ATOM 0 HG12 VAL A 11 7.672 -2.250 3.457 1.00 0.00 H new ATOM 0 HG13 VAL A 11 8.727 -3.550 4.060 1.00 0.00 H new ATOM 0 HG21 VAL A 11 11.300 -1.872 4.017 1.00 0.00 H new ATOM 0 HG22 VAL A 11 11.203 -3.530 3.378 1.00 0.00 H new ATOM 0 HG23 VAL A 11 11.791 -2.209 2.340 1.00 0.00 H new ATOM 165 N CYS A 12 7.162 -3.745 0.782 1.00 0.00 N ATOM 166 CA CYS A 12 5.823 -3.553 0.334 1.00 0.00 C ATOM 167 C CYS A 12 4.860 -3.646 1.493 1.00 0.00 C ATOM 168 O CYS A 12 4.935 -4.568 2.307 1.00 0.00 O ATOM 169 CB CYS A 12 5.457 -4.535 -0.779 1.00 0.00 C ATOM 170 SG CYS A 12 6.419 -4.317 -2.320 1.00 0.00 S ATOM 0 H CYS A 12 7.418 -4.715 0.966 1.00 0.00 H new ATOM 0 HA CYS A 12 5.748 -2.551 -0.089 1.00 0.00 H new ATOM 0 HB2 CYS A 12 5.603 -5.551 -0.414 1.00 0.00 H new ATOM 0 HB3 CYS A 12 4.397 -4.428 -1.008 1.00 0.00 H new ATOM 175 N ARG A 13 4.012 -2.665 1.604 1.00 0.00 N ATOM 176 CA ARG A 13 3.003 -2.621 2.641 1.00 0.00 C ATOM 177 C ARG A 13 1.646 -2.608 1.967 1.00 0.00 C ATOM 178 O ARG A 13 1.351 -1.690 1.190 1.00 0.00 O ATOM 179 CB ARG A 13 3.155 -1.351 3.501 1.00 0.00 C ATOM 180 CG ARG A 13 4.542 -1.155 4.099 1.00 0.00 C ATOM 181 CD ARG A 13 4.608 0.097 4.960 1.00 0.00 C ATOM 182 NE ARG A 13 3.817 -0.031 6.197 1.00 0.00 N ATOM 183 CZ ARG A 13 3.119 0.955 6.781 1.00 0.00 C ATOM 184 NH1 ARG A 13 2.943 2.115 6.166 1.00 0.00 N ATOM 185 NH2 ARG A 13 2.572 0.770 7.978 1.00 0.00 N ATOM 0 H ARG A 13 3.995 -1.862 0.975 1.00 0.00 H new ATOM 0 HA ARG A 13 3.111 -3.488 3.293 1.00 0.00 H new ATOM 0 HB2 ARG A 13 2.911 -0.482 2.890 1.00 0.00 H new ATOM 0 HB3 ARG A 13 2.426 -1.386 4.310 1.00 0.00 H new ATOM 0 HG2 ARG A 13 4.806 -2.025 4.700 1.00 0.00 H new ATOM 0 HG3 ARG A 13 5.278 -1.086 3.298 1.00 0.00 H new ATOM 0 HD2 ARG A 13 5.647 0.305 5.216 1.00 0.00 H new ATOM 0 HD3 ARG A 13 4.245 0.949 4.386 1.00 0.00 H new ATOM 0 HE ARG A 13 3.799 -0.946 6.647 1.00 0.00 H new ATOM 0 HH11 ARG A 13 3.340 2.266 5.239 1.00 0.00 H new ATOM 0 HH12 ARG A 13 2.411 2.857 6.620 1.00 0.00 H new ATOM 0 HH21 ARG A 13 2.682 -0.124 8.456 1.00 0.00 H new ATOM 0 HH22 ARG A 13 2.042 1.522 8.418 1.00 0.00 H new ATOM 199 N CYS A 14 0.862 -3.621 2.188 1.00 0.00 N ATOM 200 CA CYS A 14 -0.449 -3.674 1.596 1.00 0.00 C ATOM 201 C CYS A 14 -1.498 -3.164 2.553 1.00 0.00 C ATOM 202 O CYS A 14 -1.517 -3.511 3.743 1.00 0.00 O ATOM 203 CB CYS A 14 -0.772 -5.059 1.071 1.00 0.00 C ATOM 204 SG CYS A 14 0.476 -5.702 -0.112 1.00 0.00 S ATOM 0 H CYS A 14 1.103 -4.422 2.772 1.00 0.00 H new ATOM 0 HA CYS A 14 -0.452 -3.009 0.733 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -0.853 -5.748 1.912 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -1.746 -5.036 0.583 1.00 0.00 H new ATOM 209 N VAL A 15 -2.333 -2.326 2.034 1.00 0.00 N ATOM 210 CA VAL A 15 -3.366 -1.647 2.773 1.00 0.00 C ATOM 211 C VAL A 15 -4.691 -1.941 2.092 1.00 0.00 C ATOM 212 O VAL A 15 -4.764 -1.927 0.864 1.00 0.00 O ATOM 213 CB VAL A 15 -3.109 -0.104 2.747 1.00 0.00 C ATOM 214 CG1 VAL A 15 -4.156 0.649 3.534 1.00 0.00 C ATOM 215 CG2 VAL A 15 -1.716 0.239 3.263 1.00 0.00 C ATOM 0 H VAL A 15 -2.321 -2.080 1.044 1.00 0.00 H new ATOM 0 HA VAL A 15 -3.375 -1.987 3.809 1.00 0.00 H new ATOM 0 HB VAL A 15 -3.176 0.209 1.705 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -3.944 1.717 3.493 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -5.140 0.458 3.106 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -4.141 0.316 4.572 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -1.572 1.319 3.231 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -1.612 -0.111 4.290 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -0.967 -0.246 2.637 1.00 0.00 H new ATOM 225 N CYS A 16 -5.711 -2.222 2.848 1.00 0.00 N ATOM 226 CA CYS A 16 -6.994 -2.511 2.261 1.00 0.00 C ATOM 227 C CYS A 16 -8.012 -1.512 2.702 1.00 0.00 C ATOM 228 O CYS A 16 -8.167 -1.249 3.896 1.00 0.00 O ATOM 229 CB CYS A 16 -7.469 -3.922 2.575 1.00 0.00 C ATOM 230 SG CYS A 16 -6.347 -5.256 2.013 1.00 0.00 S ATOM 0 H CYS A 16 -5.685 -2.258 3.867 1.00 0.00 H new ATOM 0 HA CYS A 16 -6.871 -2.443 1.180 1.00 0.00 H new ATOM 0 HB2 CYS A 16 -7.606 -4.012 3.653 1.00 0.00 H new ATOM 0 HB3 CYS A 16 -8.446 -4.071 2.116 1.00 0.00 H new ATOM 235 N ARG A 17 -8.703 -0.950 1.757 1.00 0.00 N ATOM 236 CA ARG A 17 -9.711 0.028 2.068 1.00 0.00 C ATOM 237 C ARG A 17 -10.820 -0.033 1.033 1.00 0.00 C ATOM 238 O ARG A 17 -10.550 -0.269 -0.147 1.00 0.00 O ATOM 239 CB ARG A 17 -9.116 1.443 2.159 1.00 0.00 C ATOM 240 CG ARG A 17 -8.705 2.065 0.833 1.00 0.00 C ATOM 241 CD ARG A 17 -8.169 3.466 1.038 1.00 0.00 C ATOM 242 NE ARG A 17 -7.970 4.168 -0.229 1.00 0.00 N ATOM 243 CZ ARG A 17 -7.284 5.300 -0.380 1.00 0.00 C ATOM 244 NH1 ARG A 17 -6.701 5.879 0.662 1.00 0.00 N ATOM 245 NH2 ARG A 17 -7.211 5.865 -1.576 1.00 0.00 N ATOM 0 H ARG A 17 -8.590 -1.149 0.763 1.00 0.00 H new ATOM 0 HA ARG A 17 -10.128 -0.206 3.048 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -9.847 2.096 2.636 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -8.244 1.411 2.812 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -7.945 1.446 0.356 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -9.561 2.094 0.159 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -8.862 4.032 1.661 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -7.223 3.417 1.577 1.00 0.00 H new ATOM 0 HE ARG A 17 -8.390 3.759 -1.064 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -6.776 5.457 1.588 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -6.178 6.746 0.537 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -7.678 5.433 -2.373 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -6.688 6.732 -1.699 1.00 0.00 H new