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 -10.299 -2.035 -0.098 1.00 0.00 N ATOM 9 CA VAL A 2 -9.589 -2.360 -1.319 1.00 0.00 C ATOM 10 C VAL A 2 -8.088 -2.229 -1.095 1.00 0.00 C ATOM 11 O VAL A 2 -7.583 -1.138 -0.859 1.00 0.00 O ATOM 12 CB VAL A 2 -10.033 -1.438 -2.489 1.00 0.00 C ATOM 13 CG1 VAL A 2 -9.321 -1.811 -3.781 1.00 0.00 C ATOM 14 CG2 VAL A 2 -11.545 -1.491 -2.670 1.00 0.00 C ATOM 0 HA VAL A 2 -9.828 -3.389 -1.589 1.00 0.00 H new ATOM 0 HB VAL A 2 -9.753 -0.415 -2.237 1.00 0.00 H new ATOM 0 HG11 VAL A 2 -9.651 -1.150 -4.582 1.00 0.00 H new ATOM 0 HG12 VAL A 2 -8.244 -1.708 -3.646 1.00 0.00 H new ATOM 0 HG13 VAL A 2 -9.557 -2.843 -4.042 1.00 0.00 H new ATOM 0 HG21 VAL A 2 -11.836 -0.839 -3.494 1.00 0.00 H new ATOM 0 HG22 VAL A 2 -11.849 -2.514 -2.892 1.00 0.00 H new ATOM 0 HG23 VAL A 2 -12.033 -1.158 -1.754 1.00 0.00 H new ATOM 24 N CYS A 3 -7.384 -3.317 -1.155 1.00 0.00 N ATOM 25 CA CYS A 3 -5.966 -3.290 -0.888 1.00 0.00 C ATOM 26 C CYS A 3 -5.149 -3.113 -2.160 1.00 0.00 C ATOM 27 O CYS A 3 -5.345 -3.822 -3.156 1.00 0.00 O ATOM 28 CB CYS A 3 -5.540 -4.516 -0.076 1.00 0.00 C ATOM 29 SG CYS A 3 -6.388 -4.635 1.551 1.00 0.00 S ATOM 0 H CYS A 3 -7.760 -4.237 -1.385 1.00 0.00 H new ATOM 0 HA CYS A 3 -5.757 -2.412 -0.276 1.00 0.00 H new ATOM 0 HB2 CYS A 3 -5.747 -5.417 -0.654 1.00 0.00 H new ATOM 0 HB3 CYS A 3 -4.462 -4.481 0.084 1.00 0.00 H new ATOM 34 N ARG A 4 -4.275 -2.118 -2.140 1.00 0.00 N ATOM 35 CA ARG A 4 -3.412 -1.799 -3.260 1.00 0.00 C ATOM 36 C ARG A 4 -1.979 -1.721 -2.758 1.00 0.00 C ATOM 37 O ARG A 4 -1.713 -1.129 -1.703 1.00 0.00 O ATOM 38 CB ARG A 4 -3.853 -0.476 -3.915 1.00 0.00 C ATOM 39 CG ARG A 4 -5.273 -0.517 -4.489 1.00 0.00 C ATOM 40 CD ARG A 4 -5.374 -1.498 -5.653 1.00 0.00 C ATOM 41 NE ARG A 4 -6.760 -1.680 -6.125 1.00 0.00 N ATOM 42 CZ ARG A 4 -7.178 -1.505 -7.393 1.00 0.00 C ATOM 43 NH1 ARG A 4 -6.358 -1.000 -8.305 1.00 0.00 N ATOM 44 NH2 ARG A 4 -8.427 -1.825 -7.737 1.00 0.00 N ATOM 0 H ARG A 4 -4.146 -1.505 -1.335 1.00 0.00 H new ATOM 0 HA ARG A 4 -3.481 -2.575 -4.022 1.00 0.00 H new ATOM 0 HB2 ARG A 4 -3.792 0.323 -3.176 1.00 0.00 H new ATOM 0 HB3 ARG A 4 -3.155 -0.226 -4.714 1.00 0.00 H new ATOM 0 HG2 ARG A 4 -5.975 -0.805 -3.707 1.00 0.00 H new ATOM 0 HG3 ARG A 4 -5.560 0.479 -4.825 1.00 0.00 H new ATOM 0 HD2 ARG A 4 -4.757 -1.141 -6.478 1.00 0.00 H new ATOM 0 HD3 ARG A 4 -4.969 -2.462 -5.346 1.00 0.00 H new ATOM 0 HE ARG A 4 -7.457 -1.961 -5.436 1.00 0.00 H new ATOM 0 HH11 ARG A 4 -5.405 -0.742 -8.047 1.00 0.00 H new ATOM 0 HH12 ARG A 4 -6.680 -0.870 -9.264 1.00 0.00 H new ATOM 0 HH21 ARG A 4 -9.067 -2.203 -7.039 1.00 0.00 H new ATOM 0 HH22 ARG A 4 -8.741 -1.692 -8.698 1.00 0.00 H new ATOM 58 N CYS A 5 -1.068 -2.307 -3.478 1.00 0.00 N ATOM 59 CA CYS A 5 0.300 -2.403 -3.010 1.00 0.00 C ATOM 60 C CYS A 5 1.216 -1.337 -3.589 1.00 0.00 C ATOM 61 O CYS A 5 1.028 -0.874 -4.711 1.00 0.00 O ATOM 62 CB CYS A 5 0.840 -3.806 -3.246 1.00 0.00 C ATOM 63 SG CYS A 5 -0.205 -5.119 -2.492 1.00 0.00 S ATOM 0 H CYS A 5 -1.238 -2.728 -4.391 1.00 0.00 H new ATOM 0 HA CYS A 5 0.283 -2.210 -1.937 1.00 0.00 H new ATOM 0 HB2 CYS A 5 0.917 -3.983 -4.319 1.00 0.00 H new ATOM 0 HB3 CYS A 5 1.849 -3.874 -2.838 1.00 0.00 H new ATOM 68 N VAL A 6 2.163 -0.918 -2.791 1.00 0.00 N ATOM 69 CA VAL A 6 3.144 0.062 -3.179 1.00 0.00 C ATOM 70 C VAL A 6 4.482 -0.335 -2.564 1.00 0.00 C ATOM 71 O VAL A 6 4.526 -0.859 -1.441 1.00 0.00 O ATOM 72 CB VAL A 6 2.723 1.511 -2.737 1.00 0.00 C ATOM 73 CG1 VAL A 6 2.566 1.634 -1.223 1.00 0.00 C ATOM 74 CG2 VAL A 6 3.694 2.561 -3.276 1.00 0.00 C ATOM 0 H VAL A 6 2.276 -1.255 -1.835 1.00 0.00 H new ATOM 0 HA VAL A 6 3.226 0.084 -4.266 1.00 0.00 H new ATOM 0 HB VAL A 6 1.743 1.700 -3.175 1.00 0.00 H new ATOM 0 HG11 VAL A 6 2.275 2.653 -0.969 1.00 0.00 H new ATOM 0 HG12 VAL A 6 1.798 0.941 -0.879 1.00 0.00 H new ATOM 0 HG13 VAL A 6 3.513 1.396 -0.738 1.00 0.00 H new ATOM 0 HG21 VAL A 6 3.375 3.552 -2.953 1.00 0.00 H new ATOM 0 HG22 VAL A 6 4.695 2.360 -2.895 1.00 0.00 H new ATOM 0 HG23 VAL A 6 3.705 2.521 -4.365 1.00 0.00 H new ATOM 84 N CYS A 7 5.547 -0.167 -3.286 1.00 0.00 N ATOM 85 CA CYS A 7 6.831 -0.512 -2.765 1.00 0.00 C ATOM 86 C CYS A 7 7.629 0.729 -2.471 1.00 0.00 C ATOM 87 O CYS A 7 7.733 1.634 -3.303 1.00 0.00 O ATOM 88 CB CYS A 7 7.568 -1.491 -3.674 1.00 0.00 C ATOM 89 SG CYS A 7 6.613 -3.027 -4.056 1.00 0.00 S ATOM 0 H CYS A 7 5.552 0.206 -4.235 1.00 0.00 H new ATOM 0 HA CYS A 7 6.690 -1.037 -1.820 1.00 0.00 H new ATOM 0 HB2 CYS A 7 7.815 -0.987 -4.609 1.00 0.00 H new ATOM 0 HB3 CYS A 7 8.511 -1.769 -3.203 1.00 0.00 H new ATOM 94 N ARG A 8 8.157 0.771 -1.286 1.00 0.00 N ATOM 95 CA ARG A 8 8.882 1.900 -0.790 1.00 0.00 C ATOM 96 C ARG A 8 10.167 1.437 -0.134 1.00 0.00 C ATOM 97 O ARG A 8 10.132 0.657 0.830 1.00 0.00 O ATOM 98 CB ARG A 8 8.008 2.647 0.217 1.00 0.00 C ATOM 99 CG ARG A 8 8.678 3.806 0.937 1.00 0.00 C ATOM 100 CD ARG A 8 7.737 4.396 1.971 1.00 0.00 C ATOM 101 NE ARG A 8 7.281 3.365 2.909 1.00 0.00 N ATOM 102 CZ ARG A 8 6.202 3.433 3.693 1.00 0.00 C ATOM 103 NH1 ARG A 8 5.507 4.565 3.808 1.00 0.00 N ATOM 104 NH2 ARG A 8 5.835 2.362 4.371 1.00 0.00 N ATOM 0 H ARG A 8 8.094 0.001 -0.620 1.00 0.00 H new ATOM 0 HA ARG A 8 9.136 2.569 -1.612 1.00 0.00 H new ATOM 0 HB2 ARG A 8 7.128 3.026 -0.303 1.00 0.00 H new ATOM 0 HB3 ARG A 8 7.655 1.935 0.963 1.00 0.00 H new ATOM 0 HG2 ARG A 8 9.593 3.463 1.421 1.00 0.00 H new ATOM 0 HG3 ARG A 8 8.966 4.573 0.218 1.00 0.00 H new ATOM 0 HD2 ARG A 8 8.243 5.193 2.517 1.00 0.00 H new ATOM 0 HD3 ARG A 8 6.878 4.846 1.473 1.00 0.00 H new ATOM 0 HE ARG A 8 7.841 2.515 2.968 1.00 0.00 H new ATOM 0 HH11 ARG A 8 5.797 5.396 3.293 1.00 0.00 H new ATOM 0 HH12 ARG A 8 4.685 4.600 4.411 1.00 0.00 H new ATOM 0 HH21 ARG A 8 6.373 1.499 4.292 1.00 0.00 H new ATOM 0 HH22 ARG A 8 5.013 2.397 4.974 1.00 0.00 H new ATOM 118 N ARG A 9 11.282 1.862 -0.707 1.00 0.00 N ATOM 119 CA ARG A 9 12.631 1.618 -0.187 1.00 0.00 C ATOM 120 C ARG A 9 12.926 0.100 -0.127 1.00 0.00 C ATOM 121 O ARG A 9 13.603 -0.405 0.777 1.00 0.00 O ATOM 122 CB ARG A 9 12.794 2.314 1.189 1.00 0.00 C ATOM 123 CG ARG A 9 14.226 2.443 1.682 1.00 0.00 C ATOM 124 CD ARG A 9 14.278 3.144 3.030 1.00 0.00 C ATOM 125 NE ARG A 9 15.652 3.313 3.504 1.00 0.00 N ATOM 126 CZ ARG A 9 16.014 3.812 4.694 1.00 0.00 C ATOM 127 NH1 ARG A 9 15.095 4.181 5.581 1.00 0.00 N ATOM 128 NH2 ARG A 9 17.297 3.931 4.998 1.00 0.00 N ATOM 0 H ARG A 9 11.280 2.402 -1.572 1.00 0.00 H new ATOM 0 HA ARG A 9 13.369 2.050 -0.863 1.00 0.00 H new ATOM 0 HB2 ARG A 9 12.356 3.310 1.129 1.00 0.00 H new ATOM 0 HB3 ARG A 9 12.220 1.758 1.930 1.00 0.00 H new ATOM 0 HG2 ARG A 9 14.676 1.454 1.765 1.00 0.00 H new ATOM 0 HG3 ARG A 9 14.816 3.001 0.955 1.00 0.00 H new ATOM 0 HD2 ARG A 9 13.799 4.120 2.951 1.00 0.00 H new ATOM 0 HD3 ARG A 9 13.710 2.568 3.761 1.00 0.00 H new ATOM 0 HE ARG A 9 16.400 3.026 2.873 1.00 0.00 H new ATOM 0 HH11 ARG A 9 14.104 4.085 5.359 1.00 0.00 H new ATOM 0 HH12 ARG A 9 15.381 4.560 6.484 1.00 0.00 H new ATOM 0 HH21 ARG A 9 18.009 3.643 4.327 1.00 0.00 H new ATOM 0 HH22 ARG A 9 17.573 4.311 5.903 1.00 0.00 H new ATOM 142 N GLY A 10 12.375 -0.619 -1.091 1.00 0.00 N ATOM 143 CA GLY A 10 12.583 -2.050 -1.195 1.00 0.00 C ATOM 144 C GLY A 10 11.604 -2.851 -0.357 1.00 0.00 C ATOM 145 O GLY A 10 11.644 -4.083 -0.341 1.00 0.00 O ATOM 0 H GLY A 10 11.775 -0.229 -1.818 1.00 0.00 H new ATOM 0 HA2 GLY A 10 12.491 -2.351 -2.239 1.00 0.00 H new ATOM 0 HA3 GLY A 10 13.600 -2.288 -0.883 1.00 0.00 H new ATOM 149 N VAL A 11 10.735 -2.166 0.351 1.00 0.00 N ATOM 150 CA VAL A 11 9.745 -2.819 1.171 1.00 0.00 C ATOM 151 C VAL A 11 8.372 -2.585 0.574 1.00 0.00 C ATOM 152 O VAL A 11 7.946 -1.432 0.403 1.00 0.00 O ATOM 153 CB VAL A 11 9.779 -2.313 2.642 1.00 0.00 C ATOM 154 CG1 VAL A 11 8.730 -3.018 3.501 1.00 0.00 C ATOM 155 CG2 VAL A 11 11.153 -2.511 3.239 1.00 0.00 C ATOM 0 H VAL A 11 10.696 -1.147 0.374 1.00 0.00 H new ATOM 0 HA VAL A 11 9.971 -3.885 1.191 1.00 0.00 H new ATOM 0 HB VAL A 11 9.546 -1.248 2.628 1.00 0.00 H new ATOM 0 HG11 VAL A 11 8.782 -2.640 4.522 1.00 0.00 H new ATOM 0 HG12 VAL A 11 7.737 -2.826 3.093 1.00 0.00 H new ATOM 0 HG13 VAL A 11 8.921 -4.091 3.501 1.00 0.00 H new ATOM 0 HG21 VAL A 11 11.158 -2.151 4.268 1.00 0.00 H new ATOM 0 HG22 VAL A 11 11.407 -3.571 3.224 1.00 0.00 H new ATOM 0 HG23 VAL A 11 11.887 -1.954 2.656 1.00 0.00 H new ATOM 165 N CYS A 12 7.701 -3.643 0.240 1.00 0.00 N ATOM 166 CA CYS A 12 6.392 -3.541 -0.341 1.00 0.00 C ATOM 167 C CYS A 12 5.336 -3.617 0.724 1.00 0.00 C ATOM 168 O CYS A 12 5.314 -4.540 1.527 1.00 0.00 O ATOM 169 CB CYS A 12 6.181 -4.584 -1.436 1.00 0.00 C ATOM 170 SG CYS A 12 7.383 -4.453 -2.819 1.00 0.00 S ATOM 0 H CYS A 12 8.039 -4.598 0.360 1.00 0.00 H new ATOM 0 HA CYS A 12 6.307 -2.566 -0.821 1.00 0.00 H new ATOM 0 HB2 CYS A 12 6.252 -5.579 -0.997 1.00 0.00 H new ATOM 0 HB3 CYS A 12 5.171 -4.483 -1.833 1.00 0.00 H new ATOM 175 N ARG A 13 4.506 -2.613 0.760 1.00 0.00 N ATOM 176 CA ARG A 13 3.446 -2.525 1.722 1.00 0.00 C ATOM 177 C ARG A 13 2.150 -2.365 0.999 1.00 0.00 C ATOM 178 O ARG A 13 2.082 -1.664 -0.017 1.00 0.00 O ATOM 179 CB ARG A 13 3.654 -1.337 2.675 1.00 0.00 C ATOM 180 CG ARG A 13 4.827 -1.482 3.641 1.00 0.00 C ATOM 181 CD ARG A 13 4.652 -2.704 4.531 1.00 0.00 C ATOM 182 NE ARG A 13 3.338 -2.701 5.200 1.00 0.00 N ATOM 183 CZ ARG A 13 2.621 -3.792 5.487 1.00 0.00 C ATOM 184 NH1 ARG A 13 3.163 -5.001 5.359 1.00 0.00 N ATOM 185 NH2 ARG A 13 1.370 -3.667 5.929 1.00 0.00 N ATOM 0 H ARG A 13 4.548 -1.824 0.115 1.00 0.00 H new ATOM 0 HA ARG A 13 3.439 -3.437 2.318 1.00 0.00 H new ATOM 0 HB2 ARG A 13 3.802 -0.435 2.081 1.00 0.00 H new ATOM 0 HB3 ARG A 13 2.742 -1.191 3.254 1.00 0.00 H new ATOM 0 HG2 ARG A 13 5.757 -1.567 3.079 1.00 0.00 H new ATOM 0 HG3 ARG A 13 4.908 -0.587 4.258 1.00 0.00 H new ATOM 0 HD2 ARG A 13 4.755 -3.609 3.932 1.00 0.00 H new ATOM 0 HD3 ARG A 13 5.443 -2.726 5.281 1.00 0.00 H new ATOM 0 HE ARG A 13 2.946 -1.797 5.464 1.00 0.00 H new ATOM 0 HH11 ARG A 13 4.128 -5.096 5.041 1.00 0.00 H new ATOM 0 HH12 ARG A 13 2.614 -5.832 5.579 1.00 0.00 H new ATOM 0 HH21 ARG A 13 0.961 -2.740 6.048 1.00 0.00 H new ATOM 0 HH22 ARG A 13 0.821 -4.498 6.149 1.00 0.00 H new ATOM 199 N CYS A 14 1.139 -3.022 1.449 1.00 0.00 N ATOM 200 CA CYS A 14 -0.123 -2.851 0.829 1.00 0.00 C ATOM 201 C CYS A 14 -1.024 -2.041 1.706 1.00 0.00 C ATOM 202 O CYS A 14 -1.224 -2.339 2.887 1.00 0.00 O ATOM 203 CB CYS A 14 -0.738 -4.166 0.412 1.00 0.00 C ATOM 204 SG CYS A 14 0.414 -5.235 -0.552 1.00 0.00 S ATOM 0 H CYS A 14 1.161 -3.674 2.233 1.00 0.00 H new ATOM 0 HA CYS A 14 0.024 -2.294 -0.097 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -1.065 -4.705 1.301 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -1.628 -3.970 -0.187 1.00 0.00 H new ATOM 209 N VAL A 15 -1.518 -1.004 1.135 1.00 0.00 N ATOM 210 CA VAL A 15 -2.349 -0.050 1.808 1.00 0.00 C ATOM 211 C VAL A 15 -3.769 -0.342 1.420 1.00 0.00 C ATOM 212 O VAL A 15 -4.063 -0.565 0.235 1.00 0.00 O ATOM 213 CB VAL A 15 -1.976 1.409 1.395 1.00 0.00 C ATOM 214 CG1 VAL A 15 -2.831 2.438 2.129 1.00 0.00 C ATOM 215 CG2 VAL A 15 -0.494 1.678 1.634 1.00 0.00 C ATOM 0 H VAL A 15 -1.355 -0.780 0.153 1.00 0.00 H new ATOM 0 HA VAL A 15 -2.211 -0.130 2.886 1.00 0.00 H new ATOM 0 HB VAL A 15 -2.180 1.508 0.329 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -2.542 3.441 1.815 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -3.882 2.273 1.893 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -2.680 2.336 3.204 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -0.258 2.700 1.339 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -0.266 1.543 2.691 1.00 0.00 H new ATOM 0 HG23 VAL A 15 0.102 0.983 1.043 1.00 0.00 H new ATOM 225 N CYS A 16 -4.633 -0.386 2.371 1.00 0.00 N ATOM 226 CA CYS A 16 -5.982 -0.700 2.087 1.00 0.00 C ATOM 227 C CYS A 16 -6.861 0.525 2.183 1.00 0.00 C ATOM 228 O CYS A 16 -6.817 1.293 3.155 1.00 0.00 O ATOM 229 CB CYS A 16 -6.456 -1.869 2.923 1.00 0.00 C ATOM 230 SG CYS A 16 -5.372 -3.345 2.762 1.00 0.00 S ATOM 0 H CYS A 16 -4.426 -0.208 3.354 1.00 0.00 H new ATOM 0 HA CYS A 16 -6.057 -1.030 1.051 1.00 0.00 H new ATOM 0 HB2 CYS A 16 -6.499 -1.568 3.970 1.00 0.00 H new ATOM 0 HB3 CYS A 16 -7.471 -2.135 2.626 1.00 0.00 H new ATOM 235 N ARG A 17 -7.600 0.716 1.144 1.00 0.00 N ATOM 236 CA ARG A 17 -8.430 1.856 0.928 1.00 0.00 C ATOM 237 C ARG A 17 -9.872 1.406 0.852 1.00 0.00 C ATOM 238 O ARG A 17 -10.289 0.852 -0.161 1.00 0.00 O ATOM 239 CB ARG A 17 -8.012 2.459 -0.408 1.00 0.00 C ATOM 240 CG ARG A 17 -8.758 3.699 -0.846 1.00 0.00 C ATOM 241 CD ARG A 17 -8.245 4.161 -2.198 1.00 0.00 C ATOM 242 NE ARG A 17 -6.787 4.378 -2.168 1.00 0.00 N ATOM 243 CZ ARG A 17 -5.945 4.133 -3.187 1.00 0.00 C ATOM 244 NH1 ARG A 17 -6.409 3.698 -4.354 1.00 0.00 N ATOM 245 NH2 ARG A 17 -4.641 4.318 -3.031 1.00 0.00 N ATOM 0 H ARG A 17 -7.645 0.044 0.378 1.00 0.00 H new ATOM 0 HA ARG A 17 -8.329 2.584 1.733 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -6.950 2.699 -0.358 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -8.131 1.698 -1.179 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -9.826 3.489 -0.905 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -8.629 4.491 -0.108 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -8.489 3.417 -2.956 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -8.747 5.085 -2.484 1.00 0.00 H new ATOM 0 HE ARG A 17 -6.385 4.743 -1.305 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -7.410 3.548 -4.481 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -5.764 3.514 -5.123 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -4.276 4.647 -2.137 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -4.003 4.132 -3.805 1.00 0.00 H new