USER MOD reduce.3.24.130724 H: found=0, std=0, add=117, rem=0, adj=0 USER MOD reduce.3.24.130724 removed 117 hydrogens (0 hets) ATOM 13 N PRO A 2 3.980 -1.174 -1.749 1.00 63.12 N ATOM 14 CA PRO A 2 5.413 -1.426 -1.566 1.00 34.54 C ATOM 15 C PRO A 2 6.238 -0.145 -1.616 1.00 62.45 C ATOM 16 O PRO A 2 7.380 -0.113 -1.156 1.00 54.34 O ATOM 17 CB PRO A 2 5.766 -2.338 -2.744 1.00 2.42 C ATOM 18 CG PRO A 2 4.749 -2.022 -3.785 1.00 41.34 C ATOM 19 CD PRO A 2 3.488 -1.678 -3.042 1.00 72.41 C ATOM 0 HA PRO A 2 5.629 -1.864 -0.591 1.00 34.54 H new ATOM 0 HB2 PRO A 2 6.776 -2.145 -3.106 1.00 2.42 H new ATOM 0 HB3 PRO A 2 5.726 -3.389 -2.457 1.00 2.42 H new ATOM 0 HG2 PRO A 2 5.074 -1.189 -4.408 1.00 41.34 H new ATOM 0 HG3 PRO A 2 4.592 -2.873 -4.448 1.00 41.34 H new ATOM 0 HD2 PRO A 2 2.903 -0.925 -3.570 1.00 72.41 H new ATOM 0 HD3 PRO A 2 2.846 -2.550 -2.915 1.00 72.41 H new ATOM 27 N ARG A 3 5.654 0.908 -2.178 1.00 73.20 N ATOM 28 CA ARG A 3 6.336 2.191 -2.289 1.00 42.33 C ATOM 29 C ARG A 3 6.079 3.053 -1.056 1.00 73.34 C ATOM 30 O ARG A 3 6.629 4.147 -0.926 1.00 32.44 O ATOM 31 CB ARG A 3 5.875 2.931 -3.547 1.00 23.24 C ATOM 32 CG ARG A 3 5.806 2.048 -4.782 1.00 30.43 C ATOM 33 CD ARG A 3 5.914 2.866 -6.059 1.00 2.23 C ATOM 34 NE ARG A 3 7.304 3.126 -6.426 1.00 55.11 N ATOM 35 CZ ARG A 3 7.664 3.758 -7.538 1.00 11.24 C ATOM 36 NH1 ARG A 3 6.742 4.193 -8.386 1.00 30.15 N ATOM 37 NH2 ARG A 3 8.949 3.957 -7.802 1.00 72.13 N ATOM 0 H ARG A 3 4.710 0.898 -2.564 1.00 73.20 H new ATOM 0 HA ARG A 3 7.407 1.999 -2.360 1.00 42.33 H new ATOM 0 HB2 ARG A 3 4.891 3.363 -3.364 1.00 23.24 H new ATOM 0 HB3 ARG A 3 6.556 3.760 -3.741 1.00 23.24 H new ATOM 0 HG2 ARG A 3 6.610 1.313 -4.750 1.00 30.43 H new ATOM 0 HG3 ARG A 3 4.868 1.494 -4.782 1.00 30.43 H new ATOM 0 HD2 ARG A 3 5.417 2.336 -6.872 1.00 2.23 H new ATOM 0 HD3 ARG A 3 5.390 3.813 -5.928 1.00 2.23 H new ATOM 0 HE ARG A 3 8.038 2.805 -5.794 1.00 55.11 H new ATOM 0 HH11 ARG A 3 5.753 4.043 -8.185 1.00 30.15 H new ATOM 0 HH12 ARG A 3 7.022 4.678 -9.239 1.00 30.15 H new ATOM 0 HH21 ARG A 3 9.661 3.625 -7.151 1.00 72.13 H new ATOM 0 HH22 ARG A 3 9.225 4.442 -8.656 1.00 72.13 H new ATOM 51 N ILE A 4 5.239 2.552 -0.156 1.00 44.12 N ATOM 52 CA ILE A 4 4.910 3.275 1.066 1.00 51.54 C ATOM 53 C ILE A 4 5.707 2.743 2.252 1.00 74.23 C ATOM 54 O ILE A 4 5.950 3.460 3.222 1.00 55.03 O ATOM 55 CB ILE A 4 3.407 3.182 1.387 1.00 33.44 C ATOM 56 CG1 ILE A 4 2.584 3.858 0.289 1.00 44.13 C ATOM 57 CG2 ILE A 4 3.114 3.813 2.740 1.00 3.03 C ATOM 58 CD1 ILE A 4 2.862 5.339 0.151 1.00 31.24 C ATOM 0 H ILE A 4 4.774 1.649 -0.250 1.00 44.12 H new ATOM 0 HA ILE A 4 5.173 4.319 0.895 1.00 51.54 H new ATOM 0 HB ILE A 4 3.125 2.130 1.429 1.00 33.44 H new ATOM 0 HG12 ILE A 4 2.790 3.368 -0.662 1.00 44.13 H new ATOM 0 HG13 ILE A 4 1.524 3.713 0.499 1.00 44.13 H new ATOM 0 HG21 ILE A 4 2.047 3.739 2.953 1.00 3.03 H new ATOM 0 HG22 ILE A 4 3.675 3.290 3.514 1.00 3.03 H new ATOM 0 HG23 ILE A 4 3.409 4.862 2.724 1.00 3.03 H new ATOM 0 HD11 ILE A 4 2.244 5.753 -0.646 1.00 31.24 H new ATOM 0 HD12 ILE A 4 2.629 5.842 1.089 1.00 31.24 H new ATOM 0 HD13 ILE A 4 3.914 5.491 -0.090 1.00 31.24 H new ATOM 70 N ALA A 5 6.112 1.480 2.166 1.00 41.11 N ATOM 71 CA ALA A 5 6.885 0.852 3.230 1.00 20.02 C ATOM 72 C ALA A 5 8.367 1.186 3.103 1.00 64.04 C ATOM 73 O ALA A 5 9.083 1.268 4.100 1.00 31.14 O ATOM 74 CB ALA A 5 6.678 -0.655 3.214 1.00 63.45 C ATOM 0 H ALA A 5 5.917 0.872 1.370 1.00 41.11 H new ATOM 0 HA ALA A 5 6.531 1.246 4.183 1.00 20.02 H new ATOM 0 HB1 ALA A 5 7.261 -1.111 4.014 1.00 63.45 H new ATOM 0 HB2 ALA A 5 5.622 -0.879 3.362 1.00 63.45 H new ATOM 0 HB3 ALA A 5 7.003 -1.057 2.254 1.00 63.45 H new ATOM 80 N ALA A 6 8.822 1.377 1.869 1.00 41.15 N ATOM 81 CA ALA A 6 10.219 1.704 1.611 1.00 22.51 C ATOM 82 C ALA A 6 10.632 2.971 2.351 1.00 50.52 C ATOM 83 O ALA A 6 11.811 3.177 2.640 1.00 70.04 O ATOM 84 CB ALA A 6 10.458 1.861 0.117 1.00 72.43 C ATOM 0 H ALA A 6 8.243 1.311 1.032 1.00 41.15 H new ATOM 0 HA ALA A 6 10.832 0.882 1.981 1.00 22.51 H new ATOM 0 HB1 ALA A 6 11.505 2.105 -0.060 1.00 72.43 H new ATOM 0 HB2 ALA A 6 10.212 0.929 -0.391 1.00 72.43 H new ATOM 0 HB3 ALA A 6 9.828 2.662 -0.270 1.00 72.43 H new ATOM 90 N ARG A 7 9.654 3.819 2.654 1.00 2.00 N ATOM 91 CA ARG A 7 9.917 5.068 3.358 1.00 10.15 C ATOM 92 C ARG A 7 9.699 4.902 4.860 1.00 51.05 C ATOM 93 O ARG A 7 10.269 5.636 5.665 1.00 2.41 O ATOM 94 CB ARG A 7 9.015 6.181 2.821 1.00 31.23 C ATOM 95 CG ARG A 7 9.779 7.393 2.315 1.00 1.43 C ATOM 96 CD ARG A 7 8.943 8.660 2.415 1.00 24.10 C ATOM 97 NE ARG A 7 8.439 9.087 1.113 1.00 73.43 N ATOM 98 CZ ARG A 7 8.000 10.315 0.861 1.00 33.22 C ATOM 99 NH1 ARG A 7 8.004 11.233 1.818 1.00 71.22 N ATOM 100 NH2 ARG A 7 7.556 10.627 -0.350 1.00 33.03 N ATOM 0 H ARG A 7 8.673 3.664 2.423 1.00 2.00 H new ATOM 0 HA ARG A 7 10.959 5.340 3.187 1.00 10.15 H new ATOM 0 HB2 ARG A 7 8.404 5.783 2.011 1.00 31.23 H new ATOM 0 HB3 ARG A 7 8.332 6.496 3.610 1.00 31.23 H new ATOM 0 HG2 ARG A 7 10.695 7.514 2.893 1.00 1.43 H new ATOM 0 HG3 ARG A 7 10.074 7.232 1.278 1.00 1.43 H new ATOM 0 HD2 ARG A 7 8.104 8.489 3.090 1.00 24.10 H new ATOM 0 HD3 ARG A 7 9.545 9.458 2.850 1.00 24.10 H new ATOM 0 HE ARG A 7 8.423 8.405 0.355 1.00 73.43 H new ATOM 0 HH11 ARG A 7 8.345 10.997 2.750 1.00 71.22 H new ATOM 0 HH12 ARG A 7 7.666 12.175 1.622 1.00 71.22 H new ATOM 0 HH21 ARG A 7 7.552 9.923 -1.088 1.00 33.03 H new ATOM 0 HH22 ARG A 7 7.219 11.570 -0.542 1.00 33.03 H new ATOM 114 N GLY A 8 8.868 3.931 5.228 1.00 4.10 N ATOM 115 CA GLY A 8 8.589 3.687 6.631 1.00 61.41 C ATOM 116 C GLY A 8 9.788 3.129 7.372 1.00 32.51 C ATOM 117 O GLY A 8 9.954 3.369 8.568 1.00 35.11 O ATOM 0 H GLY A 8 8.384 3.310 4.580 1.00 4.10 H new ATOM 0 HA2 GLY A 8 8.275 4.618 7.103 1.00 61.41 H new ATOM 0 HA3 GLY A 8 7.756 2.989 6.717 1.00 61.41 H new ATOM 121 N ARG A 9 10.625 2.380 6.661 1.00 1.14 N ATOM 122 CA ARG A 9 11.813 1.784 7.260 1.00 21.13 C ATOM 123 C ARG A 9 12.903 2.832 7.465 1.00 63.25 C ATOM 124 O ARG A 9 13.727 2.716 8.372 1.00 53.43 O ATOM 125 CB ARG A 9 12.340 0.650 6.379 1.00 32.53 C ATOM 126 CG ARG A 9 13.437 -0.172 7.036 1.00 71.32 C ATOM 127 CD ARG A 9 13.588 -1.532 6.371 1.00 2.41 C ATOM 128 NE ARG A 9 12.369 -2.330 6.473 1.00 3.43 N ATOM 129 CZ ARG A 9 12.152 -3.433 5.766 1.00 55.42 C ATOM 130 NH1 ARG A 9 13.066 -3.866 4.910 1.00 62.34 N ATOM 131 NH2 ARG A 9 11.017 -4.104 5.915 1.00 60.54 N ATOM 0 H ARG A 9 10.502 2.172 5.670 1.00 1.14 H new ATOM 0 HA ARG A 9 11.535 1.380 8.233 1.00 21.13 H new ATOM 0 HB2 ARG A 9 11.512 -0.009 6.116 1.00 32.53 H new ATOM 0 HB3 ARG A 9 12.721 1.071 5.449 1.00 32.53 H new ATOM 0 HG2 ARG A 9 14.382 0.369 6.980 1.00 71.32 H new ATOM 0 HG3 ARG A 9 13.209 -0.306 8.093 1.00 71.32 H new ATOM 0 HD2 ARG A 9 13.845 -1.395 5.321 1.00 2.41 H new ATOM 0 HD3 ARG A 9 14.414 -2.072 6.833 1.00 2.41 H new ATOM 0 HE ARG A 9 11.645 -2.023 7.123 1.00 3.43 H new ATOM 0 HH11 ARG A 9 13.939 -3.352 4.793 1.00 62.34 H new ATOM 0 HH12 ARG A 9 12.897 -4.714 4.368 1.00 62.34 H new ATOM 0 HH21 ARG A 9 10.311 -3.773 6.573 1.00 60.54 H new ATOM 0 HH22 ARG A 9 10.850 -4.951 5.372 1.00 60.54 H new ATOM 145 N ALA A 10 12.902 3.853 6.614 1.00 12.12 N ATOM 146 CA ALA A 10 13.889 4.922 6.702 1.00 22.22 C ATOM 147 C ALA A 10 13.880 5.565 8.085 1.00 52.44 C ATOM 148 O ALA A 10 14.923 5.968 8.599 1.00 1.31 O ATOM 149 CB ALA A 10 13.631 5.969 5.629 1.00 71.32 C ATOM 0 H ALA A 10 12.229 3.962 5.856 1.00 12.12 H new ATOM 0 HA ALA A 10 14.875 4.487 6.539 1.00 22.22 H new ATOM 0 HB1 ALA A 10 14.376 6.761 5.707 1.00 71.32 H new ATOM 0 HB2 ALA A 10 13.696 5.505 4.645 1.00 71.32 H new ATOM 0 HB3 ALA A 10 12.636 6.392 5.765 1.00 71.32 H new ATOM 155 N ARG A 11 12.696 5.659 8.680 1.00 14.35 N ATOM 156 CA ARG A 11 12.551 6.256 10.003 1.00 51.12 C ATOM 157 C ARG A 11 13.522 5.622 10.994 1.00 3.55 C ATOM 158 O ARG A 11 14.492 6.252 11.418 1.00 3.24 O ATOM 159 CB ARG A 11 11.115 6.094 10.505 1.00 71.34 C ATOM 160 CG ARG A 11 10.800 6.933 11.732 1.00 51.53 C ATOM 161 CD ARG A 11 9.365 6.729 12.193 1.00 4.42 C ATOM 162 NE ARG A 11 8.405 7.362 11.292 1.00 25.24 N ATOM 163 CZ ARG A 11 7.113 7.494 11.571 1.00 44.23 C ATOM 164 NH1 ARG A 11 6.629 7.041 12.719 1.00 44.01 N ATOM 165 NH2 ARG A 11 6.303 8.081 10.700 1.00 54.52 N ATOM 0 H ARG A 11 11.823 5.330 8.268 1.00 14.35 H new ATOM 0 HA ARG A 11 12.782 7.318 9.922 1.00 51.12 H new ATOM 0 HB2 ARG A 11 10.427 6.364 9.704 1.00 71.34 H new ATOM 0 HB3 ARG A 11 10.937 5.044 10.738 1.00 71.34 H new ATOM 0 HG2 ARG A 11 11.484 6.670 12.539 1.00 51.53 H new ATOM 0 HG3 ARG A 11 10.964 7.987 11.506 1.00 51.53 H new ATOM 0 HD2 ARG A 11 9.153 5.662 12.257 1.00 4.42 H new ATOM 0 HD3 ARG A 11 9.245 7.138 13.196 1.00 4.42 H new ATOM 0 HE ARG A 11 8.745 7.722 10.400 1.00 25.24 H new ATOM 0 HH11 ARG A 11 7.249 6.589 13.391 1.00 44.01 H new ATOM 0 HH12 ARG A 11 5.636 7.144 12.930 1.00 44.01 H new ATOM 0 HH21 ARG A 11 6.672 8.431 9.816 1.00 54.52 H new ATOM 0 HH22 ARG A 11 5.311 8.182 10.914 1.00 54.52 H new ATOM 179 N LEU A 12 13.255 4.374 11.361 1.00 70.13 N ATOM 180 CA LEU A 12 14.105 3.654 12.303 1.00 11.41 C ATOM 181 C LEU A 12 15.545 3.595 11.803 1.00 54.44 C ATOM 182 O LEU A 12 16.486 3.552 12.595 1.00 42.44 O ATOM 183 CB LEU A 12 13.571 2.238 12.523 1.00 31.10 C ATOM 184 CG LEU A 12 12.114 2.132 12.974 1.00 54.42 C ATOM 185 CD1 LEU A 12 11.629 0.694 12.880 1.00 14.01 C ATOM 186 CD2 LEU A 12 11.955 2.659 14.393 1.00 53.34 C ATOM 0 H LEU A 12 12.456 3.839 11.021 1.00 70.13 H new ATOM 0 HA LEU A 12 14.091 4.192 13.251 1.00 11.41 H new ATOM 0 HB2 LEU A 12 13.684 1.680 11.593 1.00 31.10 H new ATOM 0 HB3 LEU A 12 14.197 1.747 13.268 1.00 31.10 H new ATOM 0 HG LEU A 12 11.503 2.744 12.310 1.00 54.42 H new ATOM 0 HD11 LEU A 12 10.590 0.638 13.205 1.00 14.01 H new ATOM 0 HD12 LEU A 12 11.705 0.351 11.848 1.00 14.01 H new ATOM 0 HD13 LEU A 12 12.244 0.060 13.519 1.00 14.01 H new ATOM 0 HD21 LEU A 12 10.912 2.576 14.697 1.00 53.34 H new ATOM 0 HD22 LEU A 12 12.578 2.075 15.070 1.00 53.34 H new ATOM 0 HD23 LEU A 12 12.261 3.704 14.429 1.00 53.34 H new ATOM 198 N ARG A 13 15.708 3.596 10.484 1.00 75.33 N ATOM 199 CA ARG A 13 17.032 3.543 9.878 1.00 44.25 C ATOM 200 C ARG A 13 17.890 4.716 10.344 1.00 64.23 C ATOM 201 O ARG A 13 18.986 4.525 10.870 1.00 45.33 O ATOM 202 CB ARG A 13 16.920 3.555 8.352 1.00 75.10 C ATOM 203 CG ARG A 13 18.053 2.823 7.652 1.00 51.22 C ATOM 204 CD ARG A 13 19.395 3.484 7.925 1.00 61.13 C ATOM 205 NE ARG A 13 19.379 4.908 7.603 1.00 45.31 N ATOM 206 CZ ARG A 13 20.408 5.721 7.817 1.00 51.41 C ATOM 207 NH1 ARG A 13 21.528 5.253 8.350 1.00 71.03 N ATOM 208 NH2 ARG A 13 20.317 7.006 7.497 1.00 2.13 N ATOM 0 H ARG A 13 14.939 3.633 9.815 1.00 75.33 H new ATOM 0 HA ARG A 13 17.511 2.616 10.193 1.00 44.25 H new ATOM 0 HB2 ARG A 13 15.972 3.102 8.062 1.00 75.10 H new ATOM 0 HB3 ARG A 13 16.898 4.588 8.006 1.00 75.10 H new ATOM 0 HG2 ARG A 13 18.081 1.787 7.989 1.00 51.22 H new ATOM 0 HG3 ARG A 13 17.867 2.804 6.578 1.00 51.22 H new ATOM 0 HD2 ARG A 13 19.657 3.353 8.975 1.00 61.13 H new ATOM 0 HD3 ARG A 13 20.169 2.988 7.339 1.00 61.13 H new ATOM 0 HE ARG A 13 18.532 5.300 7.191 1.00 45.31 H new ATOM 0 HH11 ARG A 13 21.602 4.266 8.597 1.00 71.03 H new ATOM 0 HH12 ARG A 13 22.316 5.880 8.513 1.00 71.03 H new ATOM 0 HH21 ARG A 13 19.457 7.370 7.087 1.00 2.13 H new ATOM 0 HH22 ARG A 13 21.107 7.630 7.661 1.00 2.13 H new ATOM 222 N ALA A 14 17.384 5.928 10.146 1.00 14.43 N ATOM 223 CA ALA A 14 18.102 7.131 10.548 1.00 43.45 C ATOM 224 C ALA A 14 18.462 7.087 12.029 1.00 45.33 C ATOM 225 O ALA A 14 19.595 7.381 12.411 1.00 22.44 O ATOM 226 CB ALA A 14 17.272 8.369 10.241 1.00 42.12 C ATOM 0 H ALA A 14 16.479 6.103 9.709 1.00 14.43 H new ATOM 0 HA ALA A 14 19.029 7.178 9.977 1.00 43.45 H new ATOM 0 HB1 ALA A 14 17.821 9.260 10.547 1.00 42.12 H new ATOM 0 HB2 ALA A 14 17.071 8.416 9.171 1.00 42.12 H new ATOM 0 HB3 ALA A 14 16.329 8.319 10.786 1.00 42.12 H new