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 -10.868 -2.177 -2.086 1.00 0.00 N ATOM 9 CA VAL A 2 -9.735 -2.457 -2.937 1.00 0.00 C ATOM 10 C VAL A 2 -8.489 -2.557 -2.086 1.00 0.00 C ATOM 11 O VAL A 2 -8.191 -1.655 -1.313 1.00 0.00 O ATOM 12 CB VAL A 2 -9.542 -1.352 -4.017 1.00 0.00 C ATOM 13 CG1 VAL A 2 -8.353 -1.661 -4.924 1.00 0.00 C ATOM 14 CG2 VAL A 2 -10.805 -1.181 -4.842 1.00 0.00 C ATOM 0 HA VAL A 2 -9.919 -3.399 -3.453 1.00 0.00 H new ATOM 0 HB VAL A 2 -9.335 -0.416 -3.498 1.00 0.00 H new ATOM 0 HG11 VAL A 2 -8.246 -0.870 -5.666 1.00 0.00 H new ATOM 0 HG12 VAL A 2 -7.444 -1.721 -4.325 1.00 0.00 H new ATOM 0 HG13 VAL A 2 -8.518 -2.613 -5.429 1.00 0.00 H new ATOM 0 HG21 VAL A 2 -10.648 -0.404 -5.590 1.00 0.00 H new ATOM 0 HG22 VAL A 2 -11.045 -2.121 -5.339 1.00 0.00 H new ATOM 0 HG23 VAL A 2 -11.630 -0.895 -4.189 1.00 0.00 H new ATOM 24 N CYS A 3 -7.789 -3.641 -2.188 1.00 0.00 N ATOM 25 CA CYS A 3 -6.580 -3.772 -1.440 1.00 0.00 C ATOM 26 C CYS A 3 -5.420 -3.330 -2.289 1.00 0.00 C ATOM 27 O CYS A 3 -5.200 -3.838 -3.385 1.00 0.00 O ATOM 28 CB CYS A 3 -6.422 -5.170 -0.855 1.00 0.00 C ATOM 29 SG CYS A 3 -7.759 -5.617 0.333 1.00 0.00 S ATOM 0 H CYS A 3 -8.029 -4.440 -2.775 1.00 0.00 H new ATOM 0 HA CYS A 3 -6.615 -3.116 -0.571 1.00 0.00 H new ATOM 0 HB2 CYS A 3 -6.409 -5.897 -1.667 1.00 0.00 H new ATOM 0 HB3 CYS A 3 -5.459 -5.239 -0.350 1.00 0.00 H new ATOM 34 N ARG A 4 -4.713 -2.349 -1.803 1.00 0.00 N ATOM 35 CA ARG A 4 -3.664 -1.729 -2.546 1.00 0.00 C ATOM 36 C ARG A 4 -2.349 -1.900 -1.826 1.00 0.00 C ATOM 37 O ARG A 4 -2.227 -1.593 -0.633 1.00 0.00 O ATOM 38 CB ARG A 4 -4.003 -0.238 -2.746 1.00 0.00 C ATOM 39 CG ARG A 4 -3.002 0.573 -3.563 1.00 0.00 C ATOM 40 CD ARG A 4 -2.803 -0.003 -4.956 1.00 0.00 C ATOM 41 NE ARG A 4 -1.997 0.892 -5.795 1.00 0.00 N ATOM 42 CZ ARG A 4 -0.980 0.520 -6.584 1.00 0.00 C ATOM 43 NH1 ARG A 4 -0.569 -0.741 -6.606 1.00 0.00 N ATOM 44 NH2 ARG A 4 -0.364 1.427 -7.337 1.00 0.00 N ATOM 0 H ARG A 4 -4.853 -1.957 -0.872 1.00 0.00 H new ATOM 0 HA ARG A 4 -3.570 -2.201 -3.524 1.00 0.00 H new ATOM 0 HB2 ARG A 4 -4.977 -0.169 -3.230 1.00 0.00 H new ATOM 0 HB3 ARG A 4 -4.102 0.226 -1.765 1.00 0.00 H new ATOM 0 HG2 ARG A 4 -3.350 1.603 -3.643 1.00 0.00 H new ATOM 0 HG3 ARG A 4 -2.045 0.599 -3.042 1.00 0.00 H new ATOM 0 HD2 ARG A 4 -2.314 -0.974 -4.883 1.00 0.00 H new ATOM 0 HD3 ARG A 4 -3.773 -0.169 -5.425 1.00 0.00 H new ATOM 0 HE ARG A 4 -2.232 1.884 -5.776 1.00 0.00 H new ATOM 0 HH11 ARG A 4 -1.028 -1.437 -6.019 1.00 0.00 H new ATOM 0 HH12 ARG A 4 0.206 -1.014 -7.210 1.00 0.00 H new ATOM 0 HH21 ARG A 4 -0.666 2.401 -7.312 1.00 0.00 H new ATOM 0 HH22 ARG A 4 0.411 1.149 -7.939 1.00 0.00 H new ATOM 58 N CYS A 5 -1.397 -2.431 -2.518 1.00 0.00 N ATOM 59 CA CYS A 5 -0.085 -2.605 -1.979 1.00 0.00 C ATOM 60 C CYS A 5 0.813 -1.525 -2.492 1.00 0.00 C ATOM 61 O CYS A 5 0.747 -1.146 -3.664 1.00 0.00 O ATOM 62 CB CYS A 5 0.466 -3.973 -2.329 1.00 0.00 C ATOM 63 SG CYS A 5 -0.642 -5.353 -1.863 1.00 0.00 S ATOM 0 H CYS A 5 -1.505 -2.759 -3.478 1.00 0.00 H new ATOM 0 HA CYS A 5 -0.138 -2.538 -0.892 1.00 0.00 H new ATOM 0 HB2 CYS A 5 0.654 -4.016 -3.402 1.00 0.00 H new ATOM 0 HB3 CYS A 5 1.427 -4.106 -1.832 1.00 0.00 H new ATOM 68 N VAL A 6 1.604 -1.008 -1.626 1.00 0.00 N ATOM 69 CA VAL A 6 2.536 0.017 -1.955 1.00 0.00 C ATOM 70 C VAL A 6 3.904 -0.401 -1.459 1.00 0.00 C ATOM 71 O VAL A 6 4.038 -0.939 -0.344 1.00 0.00 O ATOM 72 CB VAL A 6 2.107 1.409 -1.360 1.00 0.00 C ATOM 73 CG1 VAL A 6 1.955 1.365 0.160 1.00 0.00 C ATOM 74 CG2 VAL A 6 3.076 2.518 -1.773 1.00 0.00 C ATOM 0 H VAL A 6 1.626 -1.289 -0.646 1.00 0.00 H new ATOM 0 HA VAL A 6 2.563 0.146 -3.037 1.00 0.00 H new ATOM 0 HB VAL A 6 1.128 1.638 -1.781 1.00 0.00 H new ATOM 0 HG11 VAL A 6 1.658 2.348 0.525 1.00 0.00 H new ATOM 0 HG12 VAL A 6 1.193 0.633 0.428 1.00 0.00 H new ATOM 0 HG13 VAL A 6 2.905 1.082 0.613 1.00 0.00 H new ATOM 0 HG21 VAL A 6 2.749 3.465 -1.344 1.00 0.00 H new ATOM 0 HG22 VAL A 6 4.076 2.281 -1.410 1.00 0.00 H new ATOM 0 HG23 VAL A 6 3.095 2.599 -2.860 1.00 0.00 H new ATOM 84 N CYS A 7 4.885 -0.241 -2.280 1.00 0.00 N ATOM 85 CA CYS A 7 6.205 -0.554 -1.892 1.00 0.00 C ATOM 86 C CYS A 7 6.950 0.718 -1.620 1.00 0.00 C ATOM 87 O CYS A 7 6.948 1.645 -2.430 1.00 0.00 O ATOM 88 CB CYS A 7 6.927 -1.419 -2.923 1.00 0.00 C ATOM 89 SG CYS A 7 6.121 -3.034 -3.268 1.00 0.00 S ATOM 0 H CYS A 7 4.789 0.109 -3.233 1.00 0.00 H new ATOM 0 HA CYS A 7 6.164 -1.151 -0.981 1.00 0.00 H new ATOM 0 HB2 CYS A 7 7.005 -0.860 -3.856 1.00 0.00 H new ATOM 0 HB3 CYS A 7 7.944 -1.602 -2.576 1.00 0.00 H new ATOM 94 N ARG A 8 7.544 0.773 -0.485 1.00 0.00 N ATOM 95 CA ARG A 8 8.257 1.935 -0.049 1.00 0.00 C ATOM 96 C ARG A 8 9.583 1.500 0.530 1.00 0.00 C ATOM 97 O ARG A 8 9.616 0.647 1.422 1.00 0.00 O ATOM 98 CB ARG A 8 7.424 2.699 0.998 1.00 0.00 C ATOM 99 CG ARG A 8 8.023 4.024 1.457 1.00 0.00 C ATOM 100 CD ARG A 8 8.179 4.999 0.293 1.00 0.00 C ATOM 101 NE ARG A 8 6.902 5.287 -0.386 1.00 0.00 N ATOM 102 CZ ARG A 8 6.772 5.673 -1.677 1.00 0.00 C ATOM 103 NH1 ARG A 8 7.830 5.731 -2.473 1.00 0.00 N ATOM 104 NH2 ARG A 8 5.581 5.973 -2.169 1.00 0.00 N ATOM 0 H ARG A 8 7.554 0.004 0.185 1.00 0.00 H new ATOM 0 HA ARG A 8 8.436 2.605 -0.890 1.00 0.00 H new ATOM 0 HB2 ARG A 8 6.434 2.889 0.584 1.00 0.00 H new ATOM 0 HB3 ARG A 8 7.287 2.058 1.869 1.00 0.00 H new ATOM 0 HG2 ARG A 8 7.385 4.467 2.222 1.00 0.00 H new ATOM 0 HG3 ARG A 8 8.995 3.846 1.917 1.00 0.00 H new ATOM 0 HD2 ARG A 8 8.608 5.931 0.661 1.00 0.00 H new ATOM 0 HD3 ARG A 8 8.884 4.586 -0.429 1.00 0.00 H new ATOM 0 HE ARG A 8 6.047 5.187 0.162 1.00 0.00 H new ATOM 0 HH11 ARG A 8 8.752 5.484 -2.114 1.00 0.00 H new ATOM 0 HH12 ARG A 8 7.722 6.023 -3.444 1.00 0.00 H new ATOM 0 HH21 ARG A 8 4.754 5.914 -1.575 1.00 0.00 H new ATOM 0 HH22 ARG A 8 5.490 6.263 -3.143 1.00 0.00 H new ATOM 118 N ARG A 9 10.675 2.017 -0.038 1.00 0.00 N ATOM 119 CA ARG A 9 12.040 1.720 0.426 1.00 0.00 C ATOM 120 C ARG A 9 12.330 0.204 0.329 1.00 0.00 C ATOM 121 O ARG A 9 13.115 -0.362 1.084 1.00 0.00 O ATOM 122 CB ARG A 9 12.256 2.317 1.856 1.00 0.00 C ATOM 123 CG ARG A 9 13.642 2.134 2.533 1.00 0.00 C ATOM 124 CD ARG A 9 14.808 2.648 1.684 1.00 0.00 C ATOM 125 NE ARG A 9 15.142 1.730 0.579 1.00 0.00 N ATOM 126 CZ ARG A 9 15.747 2.077 -0.567 1.00 0.00 C ATOM 127 NH1 ARG A 9 15.983 3.358 -0.842 1.00 0.00 N ATOM 128 NH2 ARG A 9 16.074 1.140 -1.448 1.00 0.00 N ATOM 0 H ARG A 9 10.642 2.654 -0.834 1.00 0.00 H new ATOM 0 HA ARG A 9 12.770 2.202 -0.224 1.00 0.00 H new ATOM 0 HB2 ARG A 9 12.051 3.386 1.803 1.00 0.00 H new ATOM 0 HB3 ARG A 9 11.505 1.881 2.515 1.00 0.00 H new ATOM 0 HG2 ARG A 9 13.642 2.656 3.490 1.00 0.00 H new ATOM 0 HG3 ARG A 9 13.797 1.076 2.746 1.00 0.00 H new ATOM 0 HD2 ARG A 9 14.554 3.627 1.277 1.00 0.00 H new ATOM 0 HD3 ARG A 9 15.684 2.784 2.318 1.00 0.00 H new ATOM 0 HE ARG A 9 14.892 0.748 0.696 1.00 0.00 H new ATOM 0 HH11 ARG A 9 15.703 4.082 -0.180 1.00 0.00 H new ATOM 0 HH12 ARG A 9 16.443 3.616 -1.715 1.00 0.00 H new ATOM 0 HH21 ARG A 9 15.865 0.161 -1.252 1.00 0.00 H new ATOM 0 HH22 ARG A 9 16.534 1.399 -2.321 1.00 0.00 H new ATOM 142 N GLY A 10 11.692 -0.431 -0.628 1.00 0.00 N ATOM 143 CA GLY A 10 11.894 -1.841 -0.836 1.00 0.00 C ATOM 144 C GLY A 10 10.903 -2.707 -0.074 1.00 0.00 C ATOM 145 O GLY A 10 10.704 -3.873 -0.422 1.00 0.00 O ATOM 0 H GLY A 10 11.032 0.007 -1.271 1.00 0.00 H new ATOM 0 HA2 GLY A 10 11.814 -2.060 -1.901 1.00 0.00 H new ATOM 0 HA3 GLY A 10 12.907 -2.105 -0.532 1.00 0.00 H new ATOM 149 N VAL A 11 10.267 -2.154 0.935 1.00 0.00 N ATOM 150 CA VAL A 11 9.322 -2.898 1.755 1.00 0.00 C ATOM 151 C VAL A 11 7.923 -2.721 1.183 1.00 0.00 C ATOM 152 O VAL A 11 7.548 -1.624 0.815 1.00 0.00 O ATOM 153 CB VAL A 11 9.360 -2.406 3.233 1.00 0.00 C ATOM 154 CG1 VAL A 11 8.387 -3.185 4.106 1.00 0.00 C ATOM 155 CG2 VAL A 11 10.771 -2.505 3.792 1.00 0.00 C ATOM 0 H VAL A 11 10.386 -1.180 1.214 1.00 0.00 H new ATOM 0 HA VAL A 11 9.597 -3.953 1.745 1.00 0.00 H new ATOM 0 HB VAL A 11 9.051 -1.361 3.242 1.00 0.00 H new ATOM 0 HG11 VAL A 11 8.440 -2.815 5.130 1.00 0.00 H new ATOM 0 HG12 VAL A 11 7.374 -3.056 3.726 1.00 0.00 H new ATOM 0 HG13 VAL A 11 8.649 -4.243 4.088 1.00 0.00 H new ATOM 0 HG21 VAL A 11 10.778 -2.157 4.825 1.00 0.00 H new ATOM 0 HG22 VAL A 11 11.105 -3.542 3.756 1.00 0.00 H new ATOM 0 HG23 VAL A 11 11.443 -1.887 3.196 1.00 0.00 H new ATOM 165 N CYS A 12 7.167 -3.778 1.091 1.00 0.00 N ATOM 166 CA CYS A 12 5.852 -3.678 0.501 1.00 0.00 C ATOM 167 C CYS A 12 4.774 -3.923 1.534 1.00 0.00 C ATOM 168 O CYS A 12 4.832 -4.893 2.298 1.00 0.00 O ATOM 169 CB CYS A 12 5.725 -4.620 -0.687 1.00 0.00 C ATOM 170 SG CYS A 12 6.995 -4.341 -1.972 1.00 0.00 S ATOM 0 H CYS A 12 7.429 -4.710 1.411 1.00 0.00 H new ATOM 0 HA CYS A 12 5.716 -2.662 0.130 1.00 0.00 H new ATOM 0 HB2 CYS A 12 5.795 -5.649 -0.335 1.00 0.00 H new ATOM 0 HB3 CYS A 12 4.737 -4.502 -1.131 1.00 0.00 H new ATOM 175 N ARG A 13 3.822 -3.025 1.588 1.00 0.00 N ATOM 176 CA ARG A 13 2.740 -3.079 2.563 1.00 0.00 C ATOM 177 C ARG A 13 1.403 -2.945 1.861 1.00 0.00 C ATOM 178 O ARG A 13 1.282 -2.161 0.912 1.00 0.00 O ATOM 179 CB ARG A 13 2.927 -1.957 3.589 1.00 0.00 C ATOM 180 CG ARG A 13 4.198 -2.112 4.403 1.00 0.00 C ATOM 181 CD ARG A 13 4.509 -0.892 5.238 1.00 0.00 C ATOM 182 NE ARG A 13 5.748 -1.085 6.001 1.00 0.00 N ATOM 183 CZ ARG A 13 6.713 -0.171 6.191 1.00 0.00 C ATOM 184 NH1 ARG A 13 6.605 1.056 5.650 1.00 0.00 N ATOM 185 NH2 ARG A 13 7.791 -0.495 6.910 1.00 0.00 N ATOM 0 H ARG A 13 3.768 -2.227 0.956 1.00 0.00 H new ATOM 0 HA ARG A 13 2.760 -4.038 3.080 1.00 0.00 H new ATOM 0 HB2 ARG A 13 2.946 -0.998 3.072 1.00 0.00 H new ATOM 0 HB3 ARG A 13 2.070 -1.939 4.262 1.00 0.00 H new ATOM 0 HG2 ARG A 13 4.103 -2.979 5.056 1.00 0.00 H new ATOM 0 HG3 ARG A 13 5.033 -2.310 3.731 1.00 0.00 H new ATOM 0 HD2 ARG A 13 4.606 -0.019 4.593 1.00 0.00 H new ATOM 0 HD3 ARG A 13 3.683 -0.693 5.921 1.00 0.00 H new ATOM 0 HE ARG A 13 5.889 -2.001 6.427 1.00 0.00 H new ATOM 0 HH11 ARG A 13 5.786 1.297 5.091 1.00 0.00 H new ATOM 0 HH12 ARG A 13 7.342 1.745 5.798 1.00 0.00 H new ATOM 0 HH21 ARG A 13 7.876 -1.430 7.309 1.00 0.00 H new ATOM 0 HH22 ARG A 13 8.530 0.192 7.060 1.00 0.00 H new ATOM 199 N CYS A 14 0.421 -3.716 2.279 1.00 0.00 N ATOM 200 CA CYS A 14 -0.883 -3.656 1.656 1.00 0.00 C ATOM 201 C CYS A 14 -1.912 -3.079 2.597 1.00 0.00 C ATOM 202 O CYS A 14 -2.030 -3.484 3.760 1.00 0.00 O ATOM 203 CB CYS A 14 -1.330 -5.010 1.129 1.00 0.00 C ATOM 204 SG CYS A 14 -0.105 -5.835 0.039 1.00 0.00 S ATOM 0 H CYS A 14 0.500 -4.387 3.043 1.00 0.00 H new ATOM 0 HA CYS A 14 -0.793 -2.990 0.798 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -1.545 -5.663 1.975 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -2.262 -4.883 0.579 1.00 0.00 H new ATOM 209 N VAL A 15 -2.630 -2.134 2.085 1.00 0.00 N ATOM 210 CA VAL A 15 -3.651 -1.421 2.805 1.00 0.00 C ATOM 211 C VAL A 15 -4.949 -1.570 2.032 1.00 0.00 C ATOM 212 O VAL A 15 -4.974 -1.365 0.810 1.00 0.00 O ATOM 213 CB VAL A 15 -3.287 0.101 2.927 1.00 0.00 C ATOM 214 CG1 VAL A 15 -4.372 0.886 3.656 1.00 0.00 C ATOM 215 CG2 VAL A 15 -1.948 0.289 3.628 1.00 0.00 C ATOM 0 H VAL A 15 -2.523 -1.821 1.120 1.00 0.00 H new ATOM 0 HA VAL A 15 -3.745 -1.827 3.812 1.00 0.00 H new ATOM 0 HB VAL A 15 -3.211 0.492 1.912 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -4.082 1.935 3.720 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -5.311 0.802 3.110 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -4.499 0.483 4.661 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -1.721 1.353 3.699 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -1.998 -0.139 4.629 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -1.165 -0.212 3.058 1.00 0.00 H new ATOM 225 N CYS A 16 -5.995 -1.981 2.689 1.00 0.00 N ATOM 226 CA CYS A 16 -7.262 -2.099 2.028 1.00 0.00 C ATOM 227 C CYS A 16 -8.060 -0.831 2.186 1.00 0.00 C ATOM 228 O CYS A 16 -8.235 -0.316 3.297 1.00 0.00 O ATOM 229 CB CYS A 16 -8.028 -3.353 2.437 1.00 0.00 C ATOM 230 SG CYS A 16 -7.101 -4.919 2.137 1.00 0.00 S ATOM 0 H CYS A 16 -5.996 -2.239 3.676 1.00 0.00 H new ATOM 0 HA CYS A 16 -7.073 -2.229 0.963 1.00 0.00 H new ATOM 0 HB2 CYS A 16 -8.278 -3.286 3.496 1.00 0.00 H new ATOM 0 HB3 CYS A 16 -8.970 -3.388 1.889 1.00 0.00 H new ATOM 235 N ARG A 17 -8.495 -0.318 1.075 1.00 0.00 N ATOM 236 CA ARG A 17 -9.156 0.941 1.005 1.00 0.00 C ATOM 237 C ARG A 17 -10.402 0.804 0.145 1.00 0.00 C ATOM 238 O ARG A 17 -10.303 0.554 -1.072 1.00 0.00 O ATOM 239 CB ARG A 17 -8.187 1.960 0.362 1.00 0.00 C ATOM 240 CG ARG A 17 -8.639 3.430 0.346 1.00 0.00 C ATOM 241 CD ARG A 17 -8.610 4.072 1.736 1.00 0.00 C ATOM 242 NE ARG A 17 -9.659 3.575 2.629 1.00 0.00 N ATOM 243 CZ ARG A 17 -9.566 3.462 3.963 1.00 0.00 C ATOM 244 NH1 ARG A 17 -8.412 3.697 4.592 1.00 0.00 N ATOM 245 NH2 ARG A 17 -10.628 3.095 4.653 1.00 0.00 N ATOM 0 H ARG A 17 -8.395 -0.779 0.171 1.00 0.00 H new ATOM 0 HA ARG A 17 -9.446 1.278 2.000 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -7.235 1.903 0.889 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -8.001 1.650 -0.666 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -7.994 3.997 -0.325 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -9.650 3.491 -0.057 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -7.637 3.888 2.193 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -8.714 5.152 1.631 1.00 0.00 H new ATOM 0 HE ARG A 17 -10.539 3.289 2.199 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -7.586 3.966 4.058 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -8.357 3.607 5.607 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -11.506 2.901 4.172 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -10.571 3.005 5.667 1.00 0.00 H new