USER MOD reduce.3.24.130724 H: found=0, std=0, add=83, rem=0, adj=0 USER MOD reduce.3.24.130724 removed 84 hydrogens (0 hets) ATOM 67 N PHE A 4 -5.171 0.802 0.562 1.00 0.00 N ATOM 68 CA PHE A 4 -3.785 0.491 0.899 1.00 0.00 C ATOM 69 C PHE A 4 -3.658 -1.000 1.198 1.00 0.00 C ATOM 70 O PHE A 4 -4.472 -1.568 1.926 1.00 0.00 O ATOM 71 CB PHE A 4 -3.288 1.287 2.110 1.00 0.00 C ATOM 72 CG PHE A 4 -3.782 2.708 2.177 1.00 0.00 C ATOM 73 CD1 PHE A 4 -5.036 2.993 2.695 1.00 0.00 C ATOM 74 CD2 PHE A 4 -2.992 3.757 1.737 1.00 0.00 C ATOM 75 CE1 PHE A 4 -5.493 4.295 2.768 1.00 0.00 C ATOM 76 CE2 PHE A 4 -3.443 5.061 1.808 1.00 0.00 C ATOM 77 CZ PHE A 4 -4.695 5.330 2.323 1.00 0.00 C ATOM 0 HA PHE A 4 -3.171 0.768 0.042 1.00 0.00 H new ATOM 0 HB2 PHE A 4 -3.593 0.768 3.019 1.00 0.00 H new ATOM 0 HB3 PHE A 4 -2.198 1.296 2.099 1.00 0.00 H new ATOM 0 HD1 PHE A 4 -5.664 2.187 3.046 1.00 0.00 H new ATOM 0 HD2 PHE A 4 -2.011 3.553 1.333 1.00 0.00 H new ATOM 0 HE1 PHE A 4 -6.473 4.503 3.172 1.00 0.00 H new ATOM 0 HE2 PHE A 4 -2.816 5.869 1.461 1.00 0.00 H new ATOM 0 HZ PHE A 4 -5.050 6.349 2.378 1.00 0.00 H new ATOM 87 N PRO A 5 -2.635 -1.653 0.633 1.00 0.00 N ATOM 88 CA PRO A 5 -2.404 -3.077 0.831 1.00 0.00 C ATOM 89 C PRO A 5 -1.702 -3.377 2.155 1.00 0.00 C ATOM 90 O PRO A 5 -2.333 -3.393 3.212 1.00 0.00 O ATOM 91 CB PRO A 5 -1.532 -3.461 -0.366 1.00 0.00 C ATOM 92 CG PRO A 5 -0.826 -2.209 -0.771 1.00 0.00 C ATOM 93 CD PRO A 5 -1.628 -1.043 -0.246 1.00 0.00 C ATOM 0 HA PRO A 5 -3.334 -3.644 0.887 1.00 0.00 H new ATOM 0 HB2 PRO A 5 -0.821 -4.242 -0.097 1.00 0.00 H new ATOM 0 HB3 PRO A 5 -2.139 -3.850 -1.184 1.00 0.00 H new ATOM 0 HG2 PRO A 5 0.186 -2.192 -0.366 1.00 0.00 H new ATOM 0 HG3 PRO A 5 -0.736 -2.154 -1.856 1.00 0.00 H new ATOM 0 HD2 PRO A 5 -0.997 -0.342 0.300 1.00 0.00 H new ATOM 0 HD3 PRO A 5 -2.095 -0.486 -1.058 1.00 0.00 H new ATOM 101 N TRP A 6 -0.398 -3.626 2.087 1.00 0.00 N ATOM 102 CA TRP A 6 0.393 -3.940 3.270 1.00 0.00 C ATOM 103 C TRP A 6 1.871 -3.992 2.906 1.00 0.00 C ATOM 104 O TRP A 6 2.733 -3.542 3.662 1.00 0.00 O ATOM 105 CB TRP A 6 -0.059 -5.280 3.853 1.00 0.00 C ATOM 106 CG TRP A 6 -0.034 -6.394 2.850 1.00 0.00 C ATOM 107 CD1 TRP A 6 -0.924 -6.601 1.834 1.00 0.00 C ATOM 108 CD2 TRP A 6 0.920 -7.460 2.772 1.00 0.00 C ATOM 109 NE1 TRP A 6 -0.577 -7.725 1.125 1.00 0.00 N ATOM 110 CE2 TRP A 6 0.550 -8.271 1.682 1.00 0.00 C ATOM 111 CE3 TRP A 6 2.052 -7.805 3.515 1.00 0.00 C ATOM 112 CZ2 TRP A 6 1.272 -9.406 1.319 1.00 0.00 C ATOM 113 CZ3 TRP A 6 2.767 -8.931 3.154 1.00 0.00 C ATOM 114 CH2 TRP A 6 2.376 -9.720 2.065 1.00 0.00 C ATOM 0 H TRP A 6 0.136 -3.616 1.218 1.00 0.00 H new ATOM 0 HA TRP A 6 0.245 -3.162 4.019 1.00 0.00 H new ATOM 0 HB2 TRP A 6 0.585 -5.540 4.693 1.00 0.00 H new ATOM 0 HB3 TRP A 6 -1.070 -5.176 4.247 1.00 0.00 H new ATOM 0 HD1 TRP A 6 -1.776 -5.973 1.620 1.00 0.00 H new ATOM 0 HE1 TRP A 6 -1.077 -8.093 0.316 1.00 0.00 H new ATOM 0 HE3 TRP A 6 2.362 -7.203 4.356 1.00 0.00 H new ATOM 0 HZ2 TRP A 6 0.972 -10.016 0.480 1.00 0.00 H new ATOM 0 HZ3 TRP A 6 3.643 -9.208 3.722 1.00 0.00 H new ATOM 0 HH2 TRP A 6 2.957 -10.594 1.809 1.00 0.00 H new ATOM 125 N TRP A 7 2.142 -4.541 1.730 1.00 0.00 N ATOM 126 CA TRP A 7 3.498 -4.667 1.215 1.00 0.00 C ATOM 127 C TRP A 7 4.033 -3.326 0.725 1.00 0.00 C ATOM 128 O TRP A 7 5.131 -3.261 0.169 1.00 0.00 O ATOM 129 CB TRP A 7 3.507 -5.674 0.058 1.00 0.00 C ATOM 130 CG TRP A 7 2.454 -5.388 -0.982 1.00 0.00 C ATOM 131 CD1 TRP A 7 1.360 -6.155 -1.266 1.00 0.00 C ATOM 132 CD2 TRP A 7 2.395 -4.264 -1.876 1.00 0.00 C ATOM 133 NE1 TRP A 7 0.618 -5.570 -2.264 1.00 0.00 N ATOM 134 CE2 TRP A 7 1.234 -4.410 -2.656 1.00 0.00 C ATOM 135 CE3 TRP A 7 3.205 -3.145 -2.088 1.00 0.00 C ATOM 136 CZ2 TRP A 7 0.868 -3.480 -3.628 1.00 0.00 C ATOM 137 CZ3 TRP A 7 2.841 -2.227 -3.048 1.00 0.00 C ATOM 138 CH2 TRP A 7 1.684 -2.396 -3.806 1.00 0.00 C ATOM 0 H TRP A 7 1.426 -4.912 1.105 1.00 0.00 H new ATOM 0 HA TRP A 7 4.142 -5.014 2.024 1.00 0.00 H new ATOM 0 HB2 TRP A 7 4.489 -5.666 -0.416 1.00 0.00 H new ATOM 0 HB3 TRP A 7 3.353 -6.677 0.456 1.00 0.00 H new ATOM 0 HD1 TRP A 7 1.114 -7.086 -0.777 1.00 0.00 H new ATOM 0 HE1 TRP A 7 -0.251 -5.939 -2.651 1.00 0.00 H new ATOM 0 HE3 TRP A 7 4.104 -3.002 -1.507 1.00 0.00 H new ATOM 0 HZ2 TRP A 7 -0.027 -3.610 -4.219 1.00 0.00 H new ATOM 0 HZ3 TRP A 7 3.463 -1.361 -3.216 1.00 0.00 H new ATOM 0 HH2 TRP A 7 1.426 -1.656 -4.549 1.00 0.00 H new ATOM 149 N TRP A 8 3.241 -2.265 0.890 1.00 0.00 N ATOM 150 CA TRP A 8 3.627 -0.943 0.420 1.00 0.00 C ATOM 151 C TRP A 8 4.900 -0.434 1.081 1.00 0.00 C ATOM 152 O TRP A 8 5.841 -1.194 1.311 1.00 0.00 O ATOM 153 CB TRP A 8 2.471 0.048 0.597 1.00 0.00 C ATOM 154 CG TRP A 8 1.740 -0.075 1.897 1.00 0.00 C ATOM 155 CD1 TRP A 8 0.628 -0.824 2.120 1.00 0.00 C ATOM 156 CD2 TRP A 8 2.027 0.596 3.131 1.00 0.00 C ATOM 157 NE1 TRP A 8 0.219 -0.690 3.423 1.00 0.00 N ATOM 158 CE2 TRP A 8 1.058 0.179 4.064 1.00 0.00 C ATOM 159 CE3 TRP A 8 3.010 1.497 3.544 1.00 0.00 C ATOM 160 CZ2 TRP A 8 1.044 0.634 5.378 1.00 0.00 C ATOM 161 CZ3 TRP A 8 2.994 1.950 4.848 1.00 0.00 C ATOM 162 CH2 TRP A 8 2.018 1.517 5.752 1.00 0.00 C ATOM 0 H TRP A 8 2.329 -2.300 1.346 1.00 0.00 H new ATOM 0 HA TRP A 8 3.850 -1.031 -0.643 1.00 0.00 H new ATOM 0 HB2 TRP A 8 2.862 1.062 0.509 1.00 0.00 H new ATOM 0 HB3 TRP A 8 1.762 -0.092 -0.219 1.00 0.00 H new ATOM 0 HD1 TRP A 8 0.137 -1.437 1.378 1.00 0.00 H new ATOM 0 HE1 TRP A 8 -0.581 -1.162 3.845 1.00 0.00 H new ATOM 0 HE3 TRP A 8 3.770 1.834 2.855 1.00 0.00 H new ATOM 0 HZ2 TRP A 8 0.291 0.302 6.077 1.00 0.00 H new ATOM 0 HZ3 TRP A 8 3.748 2.651 5.176 1.00 0.00 H new ATOM 0 HH2 TRP A 8 2.035 1.888 6.766 1.00 0.00 H new ATOM 173 N ALA A 9 4.943 0.864 1.342 1.00 0.00 N ATOM 174 CA ALA A 9 6.119 1.483 1.925 1.00 0.00 C ATOM 175 C ALA A 9 7.273 1.383 0.933 1.00 0.00 C ATOM 176 O ALA A 9 8.437 1.246 1.310 1.00 0.00 O ATOM 177 CB ALA A 9 6.481 0.832 3.254 1.00 0.00 C ATOM 0 H ALA A 9 4.174 1.508 1.158 1.00 0.00 H new ATOM 0 HA ALA A 9 5.909 2.533 2.130 1.00 0.00 H new ATOM 0 HB1 ALA A 9 7.366 1.316 3.667 1.00 0.00 H new ATOM 0 HB2 ALA A 9 5.650 0.940 3.950 1.00 0.00 H new ATOM 0 HB3 ALA A 9 6.687 -0.227 3.096 1.00 0.00 H new ATOM 183 N PHE A 10 6.912 1.449 -0.347 1.00 0.00 N ATOM 184 CA PHE A 10 7.867 1.368 -1.447 1.00 0.00 C ATOM 185 C PHE A 10 7.429 2.304 -2.565 1.00 0.00 C ATOM 186 O PHE A 10 8.182 3.176 -3.000 1.00 0.00 O ATOM 187 CB PHE A 10 7.939 -0.070 -1.975 1.00 0.00 C ATOM 188 CG PHE A 10 8.926 -0.259 -3.094 1.00 0.00 C ATOM 189 CD1 PHE A 10 10.236 0.176 -2.966 1.00 0.00 C ATOM 190 CD2 PHE A 10 8.543 -0.877 -4.275 1.00 0.00 C ATOM 191 CE1 PHE A 10 11.144 -0.001 -3.993 1.00 0.00 C ATOM 192 CE2 PHE A 10 9.446 -1.057 -5.305 1.00 0.00 C ATOM 193 CZ PHE A 10 10.749 -0.618 -5.164 1.00 0.00 C ATOM 0 H PHE A 10 5.944 1.561 -0.650 1.00 0.00 H new ATOM 0 HA PHE A 10 8.854 1.663 -1.089 1.00 0.00 H new ATOM 0 HB2 PHE A 10 8.204 -0.736 -1.153 1.00 0.00 H new ATOM 0 HB3 PHE A 10 6.950 -0.370 -2.321 1.00 0.00 H new ATOM 0 HD1 PHE A 10 10.551 0.659 -2.053 1.00 0.00 H new ATOM 0 HD2 PHE A 10 7.526 -1.222 -4.391 1.00 0.00 H new ATOM 0 HE1 PHE A 10 12.162 0.343 -3.880 1.00 0.00 H new ATOM 0 HE2 PHE A 10 9.134 -1.540 -6.219 1.00 0.00 H new ATOM 0 HZ PHE A 10 11.457 -0.757 -5.968 1.00 0.00 H new ATOM 203 N LEU A 11 6.186 2.127 -2.999 1.00 0.00 N ATOM 204 CA LEU A 11 5.601 2.959 -4.038 1.00 0.00 C ATOM 205 C LEU A 11 4.493 3.808 -3.434 1.00 0.00 C ATOM 206 O LEU A 11 4.253 4.941 -3.851 1.00 0.00 O ATOM 207 CB LEU A 11 5.068 2.097 -5.194 1.00 0.00 C ATOM 208 CG LEU A 11 4.058 1.003 -4.815 1.00 0.00 C ATOM 209 CD1 LEU A 11 2.671 1.589 -4.593 1.00 0.00 C ATOM 210 CD2 LEU A 11 4.015 -0.068 -5.894 1.00 0.00 C ATOM 0 H LEU A 11 5.560 1.406 -2.641 1.00 0.00 H new ATOM 0 HA LEU A 11 6.369 3.615 -4.449 1.00 0.00 H new ATOM 0 HB2 LEU A 11 4.601 2.756 -5.926 1.00 0.00 H new ATOM 0 HB3 LEU A 11 5.917 1.624 -5.688 1.00 0.00 H new ATOM 0 HG LEU A 11 4.384 0.549 -3.879 1.00 0.00 H new ATOM 0 HD11 LEU A 11 1.978 0.792 -4.326 1.00 0.00 H new ATOM 0 HD12 LEU A 11 2.710 2.321 -3.786 1.00 0.00 H new ATOM 0 HD13 LEU A 11 2.331 2.075 -5.507 1.00 0.00 H new ATOM 0 HD21 LEU A 11 3.296 -0.838 -5.614 1.00 0.00 H new ATOM 0 HD22 LEU A 11 3.716 0.381 -6.841 1.00 0.00 H new ATOM 0 HD23 LEU A 11 5.003 -0.516 -6.001 1.00 0.00 H new ATOM 222 N ARG A 12 3.829 3.236 -2.436 1.00 0.00 N ATOM 223 CA ARG A 12 2.745 3.906 -1.736 1.00 0.00 C ATOM 224 C ARG A 12 3.286 5.008 -0.825 1.00 0.00 C ATOM 225 O ARG A 12 2.896 6.169 -0.945 1.00 0.00 O ATOM 226 CB ARG A 12 1.944 2.872 -0.940 1.00 0.00 C ATOM 227 CG ARG A 12 1.053 3.456 0.135 1.00 0.00 C ATOM 228 CD ARG A 12 -0.063 2.498 0.516 1.00 0.00 C ATOM 229 NE ARG A 12 -0.865 2.105 -0.640 1.00 0.00 N ATOM 230 CZ ARG A 12 -1.580 2.957 -1.372 1.00 0.00 C ATOM 231 NH1 ARG A 12 -1.612 4.246 -1.060 1.00 0.00 N ATOM 232 NH2 ARG A 12 -2.267 2.517 -2.418 1.00 0.00 N ATOM 0 H ARG A 12 4.028 2.297 -2.092 1.00 0.00 H new ATOM 0 HA ARG A 12 2.085 4.381 -2.462 1.00 0.00 H new ATOM 0 HB2 ARG A 12 1.328 2.298 -1.632 1.00 0.00 H new ATOM 0 HB3 ARG A 12 2.639 2.172 -0.477 1.00 0.00 H new ATOM 0 HG2 ARG A 12 1.650 3.689 1.017 1.00 0.00 H new ATOM 0 HG3 ARG A 12 0.624 4.394 -0.217 1.00 0.00 H new ATOM 0 HD2 ARG A 12 0.365 1.609 0.980 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -0.706 2.968 1.260 1.00 0.00 H new ATOM 0 HE ARG A 12 -0.878 1.119 -0.902 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -1.087 4.589 -0.256 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -2.162 4.894 -1.625 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -2.247 1.527 -2.661 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -2.815 3.169 -2.979 1.00 0.00 H new