USER MOD reduce.3.24.130724 H: found=0, std=0, add=104, rem=0, adj=0 USER MOD reduce.3.24.130724 removed 105 hydrogens (0 hets) ATOM 28 N CYS A 3 -7.195 -3.171 -0.774 1.00 0.00 N ATOM 29 CA CYS A 3 -5.804 -3.215 -0.434 1.00 0.00 C ATOM 30 C CYS A 3 -4.941 -3.062 -1.658 1.00 0.00 C ATOM 31 O CYS A 3 -4.993 -3.854 -2.603 1.00 0.00 O ATOM 32 CB CYS A 3 -5.465 -4.456 0.356 1.00 0.00 C ATOM 33 SG CYS A 3 -6.467 -4.636 1.890 1.00 0.00 S ATOM 0 HA CYS A 3 -5.591 -2.366 0.215 1.00 0.00 H new ATOM 0 HB2 CYS A 3 -5.616 -5.332 -0.274 1.00 0.00 H new ATOM 0 HB3 CYS A 3 -4.408 -4.433 0.621 1.00 0.00 H new ATOM 38 N ARG A 4 -4.165 -2.039 -1.630 1.00 0.00 N ATOM 39 CA ARG A 4 -3.302 -1.649 -2.716 1.00 0.00 C ATOM 40 C ARG A 4 -1.868 -1.734 -2.231 1.00 0.00 C ATOM 41 O ARG A 4 -1.587 -1.384 -1.087 1.00 0.00 O ATOM 42 CB ARG A 4 -3.641 -0.202 -3.104 1.00 0.00 C ATOM 43 CG ARG A 4 -2.831 0.366 -4.255 1.00 0.00 C ATOM 44 CD ARG A 4 -3.176 1.830 -4.495 1.00 0.00 C ATOM 45 NE ARG A 4 -4.589 2.030 -4.878 1.00 0.00 N ATOM 46 CZ ARG A 4 -5.224 3.215 -4.899 1.00 0.00 C ATOM 47 NH1 ARG A 4 -4.599 4.325 -4.506 1.00 0.00 N ATOM 48 NH2 ARG A 4 -6.492 3.273 -5.286 1.00 0.00 N ATOM 0 H ARG A 4 -4.102 -1.418 -0.823 1.00 0.00 H new ATOM 0 HA ARG A 4 -3.435 -2.298 -3.582 1.00 0.00 H new ATOM 0 HB2 ARG A 4 -4.698 -0.151 -3.365 1.00 0.00 H new ATOM 0 HB3 ARG A 4 -3.497 0.434 -2.231 1.00 0.00 H new ATOM 0 HG2 ARG A 4 -1.767 0.270 -4.038 1.00 0.00 H new ATOM 0 HG3 ARG A 4 -3.025 -0.210 -5.160 1.00 0.00 H new ATOM 0 HD2 ARG A 4 -2.965 2.401 -3.591 1.00 0.00 H new ATOM 0 HD3 ARG A 4 -2.532 2.226 -5.280 1.00 0.00 H new ATOM 0 HE ARG A 4 -5.124 1.205 -5.147 1.00 0.00 H new ATOM 0 HH11 ARG A 4 -3.632 4.280 -4.186 1.00 0.00 H new ATOM 0 HH12 ARG A 4 -5.088 5.220 -4.525 1.00 0.00 H new ATOM 0 HH21 ARG A 4 -6.979 2.422 -5.565 1.00 0.00 H new ATOM 0 HH22 ARG A 4 -6.979 4.169 -5.304 1.00 0.00 H new ATOM 62 N CYS A 5 -0.970 -2.219 -3.039 1.00 0.00 N ATOM 63 CA CYS A 5 0.395 -2.285 -2.592 1.00 0.00 C ATOM 64 C CYS A 5 1.202 -1.113 -3.003 1.00 0.00 C ATOM 65 O CYS A 5 1.017 -0.530 -4.068 1.00 0.00 O ATOM 66 CB CYS A 5 1.132 -3.590 -2.884 1.00 0.00 C ATOM 67 SG CYS A 5 0.840 -4.995 -1.719 1.00 0.00 S ATOM 0 H CYS A 5 -1.147 -2.565 -3.982 1.00 0.00 H new ATOM 0 HA CYS A 5 0.286 -2.261 -1.508 1.00 0.00 H new ATOM 0 HB2 CYS A 5 0.857 -3.918 -3.886 1.00 0.00 H new ATOM 0 HB3 CYS A 5 2.201 -3.379 -2.900 1.00 0.00 H new ATOM 72 N LEU A 6 2.067 -0.764 -2.126 1.00 0.00 N ATOM 73 CA LEU A 6 2.982 0.326 -2.296 1.00 0.00 C ATOM 74 C LEU A 6 4.388 -0.206 -2.098 1.00 0.00 C ATOM 75 O LEU A 6 4.656 -0.926 -1.123 1.00 0.00 O ATOM 76 CB LEU A 6 2.705 1.478 -1.288 1.00 0.00 C ATOM 77 CG LEU A 6 1.398 2.315 -1.448 1.00 0.00 C ATOM 78 CD1 LEU A 6 1.277 2.908 -2.837 1.00 0.00 C ATOM 79 CD2 LEU A 6 0.148 1.532 -1.079 1.00 0.00 C ATOM 0 H LEU A 6 2.170 -1.242 -1.231 1.00 0.00 H new ATOM 0 HA LEU A 6 2.858 0.740 -3.297 1.00 0.00 H new ATOM 0 HB2 LEU A 6 2.701 1.047 -0.287 1.00 0.00 H new ATOM 0 HB3 LEU A 6 3.547 2.168 -1.335 1.00 0.00 H new ATOM 0 HG LEU A 6 1.478 3.137 -0.736 1.00 0.00 H new ATOM 0 HD11 LEU A 6 0.354 3.483 -2.908 1.00 0.00 H new ATOM 0 HD12 LEU A 6 2.128 3.562 -3.029 1.00 0.00 H new ATOM 0 HD13 LEU A 6 1.262 2.106 -3.575 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -0.730 2.165 -1.210 1.00 0.00 H new ATOM 0 HD22 LEU A 6 0.063 0.657 -1.723 1.00 0.00 H new ATOM 0 HD23 LEU A 6 0.213 1.212 -0.039 1.00 0.00 H new ATOM 91 N CYS A 7 5.258 0.098 -3.012 1.00 0.00 N ATOM 92 CA CYS A 7 6.615 -0.354 -2.927 1.00 0.00 C ATOM 93 C CYS A 7 7.555 0.815 -2.709 1.00 0.00 C ATOM 94 O CYS A 7 7.412 1.874 -3.335 1.00 0.00 O ATOM 95 CB CYS A 7 7.015 -1.130 -4.185 1.00 0.00 C ATOM 96 SG CYS A 7 6.011 -2.617 -4.498 1.00 0.00 S ATOM 0 H CYS A 7 5.050 0.664 -3.835 1.00 0.00 H new ATOM 0 HA CYS A 7 6.691 -1.026 -2.072 1.00 0.00 H new ATOM 0 HB2 CYS A 7 6.939 -0.467 -5.047 1.00 0.00 H new ATOM 0 HB3 CYS A 7 8.061 -1.423 -4.100 1.00 0.00 H new ATOM 101 N ARG A 8 8.472 0.641 -1.805 1.00 0.00 N ATOM 102 CA ARG A 8 9.478 1.617 -1.520 1.00 0.00 C ATOM 103 C ARG A 8 10.832 0.933 -1.506 1.00 0.00 C ATOM 104 O ARG A 8 11.178 0.235 -0.541 1.00 0.00 O ATOM 105 CB ARG A 8 9.201 2.296 -0.181 1.00 0.00 C ATOM 106 CG ARG A 8 10.237 3.339 0.203 1.00 0.00 C ATOM 107 CD ARG A 8 9.893 4.000 1.519 1.00 0.00 C ATOM 108 NE ARG A 8 8.666 4.787 1.427 1.00 0.00 N ATOM 109 CZ ARG A 8 8.243 5.654 2.342 1.00 0.00 C ATOM 110 NH1 ARG A 8 8.879 5.768 3.513 1.00 0.00 N ATOM 111 NH2 ARG A 8 7.172 6.387 2.101 1.00 0.00 N ATOM 0 H ARG A 8 8.542 -0.201 -1.234 1.00 0.00 H new ATOM 0 HA ARG A 8 9.469 2.389 -2.290 1.00 0.00 H new ATOM 0 HB2 ARG A 8 8.220 2.769 -0.220 1.00 0.00 H new ATOM 0 HB3 ARG A 8 9.158 1.536 0.599 1.00 0.00 H new ATOM 0 HG2 ARG A 8 11.218 2.870 0.275 1.00 0.00 H new ATOM 0 HG3 ARG A 8 10.302 4.095 -0.580 1.00 0.00 H new ATOM 0 HD2 ARG A 8 9.779 3.238 2.290 1.00 0.00 H new ATOM 0 HD3 ARG A 8 10.716 4.645 1.828 1.00 0.00 H new ATOM 0 HE ARG A 8 8.088 4.662 0.596 1.00 0.00 H new ATOM 0 HH11 ARG A 8 9.695 5.188 3.709 1.00 0.00 H new ATOM 0 HH12 ARG A 8 8.549 6.435 4.210 1.00 0.00 H new ATOM 0 HH21 ARG A 8 6.674 6.287 1.217 1.00 0.00 H new ATOM 0 HH22 ARG A 8 6.843 7.054 2.799 1.00 0.00 H new ATOM 125 N ARG A 9 11.544 1.068 -2.614 1.00 0.00 N ATOM 126 CA ARG A 9 12.884 0.518 -2.805 1.00 0.00 C ATOM 127 C ARG A 9 12.898 -0.979 -2.471 1.00 0.00 C ATOM 128 O ARG A 9 13.619 -1.433 -1.597 1.00 0.00 O ATOM 129 CB ARG A 9 13.910 1.317 -1.962 1.00 0.00 C ATOM 130 CG ARG A 9 15.384 0.989 -2.224 1.00 0.00 C ATOM 131 CD ARG A 9 15.765 1.200 -3.687 1.00 0.00 C ATOM 132 NE ARG A 9 15.447 2.558 -4.167 1.00 0.00 N ATOM 133 CZ ARG A 9 15.549 2.964 -5.446 1.00 0.00 C ATOM 134 NH1 ARG A 9 16.064 2.153 -6.373 1.00 0.00 N ATOM 135 NH2 ARG A 9 15.160 4.191 -5.787 1.00 0.00 N ATOM 0 H ARG A 9 11.200 1.576 -3.429 1.00 0.00 H new ATOM 0 HA ARG A 9 13.172 0.616 -3.852 1.00 0.00 H new ATOM 0 HB2 ARG A 9 13.755 2.380 -2.146 1.00 0.00 H new ATOM 0 HB3 ARG A 9 13.700 1.143 -0.907 1.00 0.00 H new ATOM 0 HG2 ARG A 9 16.013 1.616 -1.592 1.00 0.00 H new ATOM 0 HG3 ARG A 9 15.581 -0.046 -1.944 1.00 0.00 H new ATOM 0 HD2 ARG A 9 16.832 1.016 -3.811 1.00 0.00 H new ATOM 0 HD3 ARG A 9 15.242 0.469 -4.304 1.00 0.00 H new ATOM 0 HE ARG A 9 15.126 3.239 -3.479 1.00 0.00 H new ATOM 0 HH11 ARG A 9 16.383 1.220 -6.114 1.00 0.00 H new ATOM 0 HH12 ARG A 9 16.138 2.467 -7.341 1.00 0.00 H new ATOM 0 HH21 ARG A 9 14.785 4.822 -5.079 1.00 0.00 H new ATOM 0 HH22 ARG A 9 15.237 4.500 -6.756 1.00 0.00 H new ATOM 149 N GLY A 10 12.028 -1.710 -3.122 1.00 0.00 N ATOM 150 CA GLY A 10 11.947 -3.134 -2.911 1.00 0.00 C ATOM 151 C GLY A 10 10.907 -3.513 -1.881 1.00 0.00 C ATOM 152 O GLY A 10 10.269 -4.565 -1.996 1.00 0.00 O ATOM 0 H GLY A 10 11.365 -1.342 -3.804 1.00 0.00 H new ATOM 0 HA2 GLY A 10 11.712 -3.624 -3.856 1.00 0.00 H new ATOM 0 HA3 GLY A 10 12.921 -3.506 -2.592 1.00 0.00 H new ATOM 156 N ASP A 11 10.707 -2.646 -0.896 1.00 0.00 N ATOM 157 CA ASP A 11 9.766 -2.912 0.186 1.00 0.00 C ATOM 158 C ASP A 11 8.342 -2.734 -0.286 1.00 0.00 C ATOM 159 O ASP A 11 7.843 -1.617 -0.391 1.00 0.00 O ATOM 160 CB ASP A 11 10.040 -2.001 1.387 1.00 0.00 C ATOM 161 CG ASP A 11 9.041 -2.172 2.519 1.00 0.00 C ATOM 162 OD1 ASP A 11 9.244 -3.056 3.390 1.00 0.00 O ATOM 163 OD2 ASP A 11 8.070 -1.395 2.600 1.00 0.00 O ATOM 0 H ASP A 11 11.186 -1.748 -0.824 1.00 0.00 H new ATOM 0 HA ASP A 11 9.903 -3.947 0.499 1.00 0.00 H new ATOM 0 HB2 ASP A 11 11.042 -2.203 1.764 1.00 0.00 H new ATOM 0 HB3 ASP A 11 10.027 -0.963 1.056 1.00 0.00 H new ATOM 168 N CYS A 12 7.724 -3.811 -0.626 1.00 0.00 N ATOM 169 CA CYS A 12 6.358 -3.793 -1.031 1.00 0.00 C ATOM 170 C CYS A 12 5.504 -4.272 0.082 1.00 0.00 C ATOM 171 O CYS A 12 5.740 -5.337 0.660 1.00 0.00 O ATOM 172 CB CYS A 12 6.119 -4.634 -2.253 1.00 0.00 C ATOM 173 SG CYS A 12 7.102 -4.129 -3.698 1.00 0.00 S ATOM 0 H CYS A 12 8.153 -4.736 -0.632 1.00 0.00 H new ATOM 0 HA CYS A 12 6.101 -2.765 -1.286 1.00 0.00 H new ATOM 0 HB2 CYS A 12 6.346 -5.674 -2.017 1.00 0.00 H new ATOM 0 HB3 CYS A 12 5.061 -4.589 -2.512 1.00 0.00 H new ATOM 178 N ARG A 13 4.553 -3.488 0.389 1.00 0.00 N ATOM 179 CA ARG A 13 3.609 -3.778 1.435 1.00 0.00 C ATOM 180 C ARG A 13 2.271 -3.235 1.020 1.00 0.00 C ATOM 181 O ARG A 13 2.203 -2.253 0.259 1.00 0.00 O ATOM 182 CB ARG A 13 4.062 -3.146 2.770 1.00 0.00 C ATOM 183 CG ARG A 13 4.135 -1.623 2.771 1.00 0.00 C ATOM 184 CD ARG A 13 4.654 -1.097 4.097 1.00 0.00 C ATOM 185 NE ARG A 13 6.031 -1.526 4.356 1.00 0.00 N ATOM 186 CZ ARG A 13 6.586 -1.692 5.554 1.00 0.00 C ATOM 187 NH1 ARG A 13 5.897 -1.437 6.672 1.00 0.00 N ATOM 188 NH2 ARG A 13 7.842 -2.120 5.633 1.00 0.00 N ATOM 0 H ARG A 13 4.387 -2.598 -0.080 1.00 0.00 H new ATOM 0 HA ARG A 13 3.544 -4.855 1.589 1.00 0.00 H new ATOM 0 HB2 ARG A 13 3.376 -3.462 3.555 1.00 0.00 H new ATOM 0 HB3 ARG A 13 5.045 -3.542 3.027 1.00 0.00 H new ATOM 0 HG2 ARG A 13 4.786 -1.287 1.964 1.00 0.00 H new ATOM 0 HG3 ARG A 13 3.146 -1.209 2.575 1.00 0.00 H new ATOM 0 HD2 ARG A 13 4.607 -0.008 4.099 1.00 0.00 H new ATOM 0 HD3 ARG A 13 4.008 -1.445 4.903 1.00 0.00 H new ATOM 0 HE ARG A 13 6.618 -1.715 3.543 1.00 0.00 H new ATOM 0 HH11 ARG A 13 4.932 -1.111 6.613 1.00 0.00 H new ATOM 0 HH12 ARG A 13 6.336 -1.569 7.583 1.00 0.00 H new ATOM 0 HH21 ARG A 13 8.368 -2.317 4.782 1.00 0.00 H new ATOM 0 HH22 ARG A 13 8.280 -2.252 6.545 1.00 0.00 H new ATOM 202 N CYS A 14 1.220 -3.858 1.452 1.00 0.00 N ATOM 203 CA CYS A 14 -0.075 -3.370 1.109 1.00 0.00 C ATOM 204 C CYS A 14 -0.653 -2.488 2.145 1.00 0.00 C ATOM 205 O CYS A 14 -0.498 -2.696 3.353 1.00 0.00 O ATOM 206 CB CYS A 14 -1.084 -4.434 0.665 1.00 0.00 C ATOM 207 SG CYS A 14 -1.093 -4.888 -1.131 1.00 0.00 S ATOM 0 H CYS A 14 1.233 -4.695 2.035 1.00 0.00 H new ATOM 0 HA CYS A 14 0.118 -2.770 0.220 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -0.897 -5.340 1.242 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -2.082 -4.086 0.931 1.00 0.00 H new ATOM 212 N ILE A 15 -1.275 -1.489 1.654 1.00 0.00 N ATOM 213 CA ILE A 15 -1.986 -0.515 2.439 1.00 0.00 C ATOM 214 C ILE A 15 -3.424 -0.561 1.985 1.00 0.00 C ATOM 215 O ILE A 15 -3.696 -0.577 0.784 1.00 0.00 O ATOM 216 CB ILE A 15 -1.409 0.924 2.252 1.00 0.00 C ATOM 217 CG1 ILE A 15 0.054 0.980 2.731 1.00 0.00 C ATOM 218 CG2 ILE A 15 -2.263 1.965 2.983 1.00 0.00 C ATOM 219 CD1 ILE A 15 0.718 2.334 2.563 1.00 0.00 C ATOM 0 H ILE A 15 -1.315 -1.304 0.652 1.00 0.00 H new ATOM 0 HA ILE A 15 -1.888 -0.750 3.499 1.00 0.00 H new ATOM 0 HB ILE A 15 -1.436 1.165 1.189 1.00 0.00 H new ATOM 0 HG12 ILE A 15 0.090 0.700 3.784 1.00 0.00 H new ATOM 0 HG13 ILE A 15 0.632 0.235 2.183 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -1.835 2.956 2.834 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -3.279 1.945 2.588 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -2.284 1.736 4.048 1.00 0.00 H new ATOM 0 HD11 ILE A 15 1.745 2.283 2.925 1.00 0.00 H new ATOM 0 HD12 ILE A 15 0.719 2.611 1.509 1.00 0.00 H new ATOM 0 HD13 ILE A 15 0.168 3.082 3.134 1.00 0.00 H new ATOM 231 N CYS A 16 -4.328 -0.653 2.897 1.00 0.00 N ATOM 232 CA CYS A 16 -5.703 -0.719 2.522 1.00 0.00 C ATOM 233 C CYS A 16 -6.364 0.623 2.727 1.00 0.00 C ATOM 234 O CYS A 16 -6.076 1.337 3.695 1.00 0.00 O ATOM 235 CB CYS A 16 -6.426 -1.850 3.258 1.00 0.00 C ATOM 236 SG CYS A 16 -5.509 -3.457 3.251 1.00 0.00 S ATOM 0 H CYS A 16 -4.146 -0.684 3.900 1.00 0.00 H new ATOM 0 HA CYS A 16 -5.768 -0.956 1.460 1.00 0.00 H new ATOM 0 HB2 CYS A 16 -6.599 -1.546 4.290 1.00 0.00 H new ATOM 0 HB3 CYS A 16 -7.405 -2.000 2.802 1.00 0.00 H new