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 5.132 -0.666 -0.485 1.00 0.00 N ATOM 68 CA PHE A 4 3.764 -0.294 -0.144 1.00 0.00 C ATOM 69 C PHE A 4 3.665 1.197 0.167 1.00 0.00 C ATOM 70 O PHE A 4 4.583 1.785 0.737 1.00 0.00 O ATOM 71 CB PHE A 4 3.252 -1.126 1.037 1.00 0.00 C ATOM 72 CG PHE A 4 4.091 -1.032 2.284 1.00 0.00 C ATOM 73 CD1 PHE A 4 4.073 0.110 3.071 1.00 0.00 C ATOM 74 CD2 PHE A 4 4.884 -2.098 2.679 1.00 0.00 C ATOM 75 CE1 PHE A 4 4.833 0.188 4.222 1.00 0.00 C ATOM 76 CE2 PHE A 4 5.645 -2.026 3.830 1.00 0.00 C ATOM 77 CZ PHE A 4 5.620 -0.881 4.602 1.00 0.00 C ATOM 0 HA PHE A 4 3.134 -0.503 -1.009 1.00 0.00 H new ATOM 0 HB2 PHE A 4 2.236 -0.809 1.274 1.00 0.00 H new ATOM 0 HB3 PHE A 4 3.196 -2.171 0.731 1.00 0.00 H new ATOM 0 HD1 PHE A 4 3.457 0.948 2.780 1.00 0.00 H new ATOM 0 HD2 PHE A 4 4.907 -2.996 2.080 1.00 0.00 H new ATOM 0 HE1 PHE A 4 4.812 1.084 4.824 1.00 0.00 H new ATOM 0 HE2 PHE A 4 6.259 -2.864 4.126 1.00 0.00 H new ATOM 0 HZ PHE A 4 6.215 -0.822 5.501 1.00 0.00 H new ATOM 87 N PRO A 5 2.543 1.829 -0.214 1.00 0.00 N ATOM 88 CA PRO A 5 2.324 3.253 0.018 1.00 0.00 C ATOM 89 C PRO A 5 1.912 3.540 1.464 1.00 0.00 C ATOM 90 O PRO A 5 2.753 3.576 2.363 1.00 0.00 O ATOM 91 CB PRO A 5 1.199 3.589 -0.967 1.00 0.00 C ATOM 92 CG PRO A 5 0.413 2.326 -1.088 1.00 0.00 C ATOM 93 CD PRO A 5 1.399 1.199 -0.903 1.00 0.00 C ATOM 0 HA PRO A 5 3.222 3.852 -0.133 1.00 0.00 H new ATOM 0 HB2 PRO A 5 0.580 4.407 -0.598 1.00 0.00 H new ATOM 0 HB3 PRO A 5 1.598 3.902 -1.932 1.00 0.00 H new ATOM 0 HG2 PRO A 5 -0.374 2.283 -0.335 1.00 0.00 H new ATOM 0 HG3 PRO A 5 -0.074 2.262 -2.061 1.00 0.00 H new ATOM 0 HD2 PRO A 5 0.973 0.390 -0.309 1.00 0.00 H new ATOM 0 HD3 PRO A 5 1.697 0.770 -1.859 1.00 0.00 H new ATOM 101 N TRP A 6 0.616 3.741 1.674 1.00 0.00 N ATOM 102 CA TRP A 6 0.070 4.026 2.996 1.00 0.00 C ATOM 103 C TRP A 6 -1.447 4.080 2.904 1.00 0.00 C ATOM 104 O TRP A 6 -2.164 3.616 3.791 1.00 0.00 O ATOM 105 CB TRP A 6 0.626 5.349 3.524 1.00 0.00 C ATOM 106 CG TRP A 6 0.369 6.505 2.605 1.00 0.00 C ATOM 107 CD1 TRP A 6 0.995 6.763 1.419 1.00 0.00 C ATOM 108 CD2 TRP A 6 -0.574 7.565 2.801 1.00 0.00 C ATOM 109 NE1 TRP A 6 0.492 7.913 0.861 1.00 0.00 N ATOM 110 CE2 TRP A 6 -0.471 8.426 1.692 1.00 0.00 C ATOM 111 CE3 TRP A 6 -1.497 7.868 3.805 1.00 0.00 C ATOM 112 CZ2 TRP A 6 -1.257 9.568 1.560 1.00 0.00 C ATOM 113 CZ3 TRP A 6 -2.276 9.003 3.674 1.00 0.00 C ATOM 114 CH2 TRP A 6 -2.152 9.840 2.558 1.00 0.00 C ATOM 0 H TRP A 6 -0.085 3.711 0.934 1.00 0.00 H new ATOM 0 HA TRP A 6 0.360 3.238 3.691 1.00 0.00 H new ATOM 0 HB2 TRP A 6 0.182 5.560 4.497 1.00 0.00 H new ATOM 0 HB3 TRP A 6 1.700 5.248 3.679 1.00 0.00 H new ATOM 0 HD1 TRP A 6 1.772 6.152 0.983 1.00 0.00 H new ATOM 0 HE1 TRP A 6 0.787 8.319 -0.027 1.00 0.00 H new ATOM 0 HE3 TRP A 6 -1.600 7.227 4.668 1.00 0.00 H new ATOM 0 HZ2 TRP A 6 -1.163 10.215 0.701 1.00 0.00 H new ATOM 0 HZ3 TRP A 6 -2.992 9.248 4.445 1.00 0.00 H new ATOM 0 HH2 TRP A 6 -2.776 10.718 2.484 1.00 0.00 H new ATOM 125 N TRP A 7 -1.913 4.637 1.796 1.00 0.00 N ATOM 126 CA TRP A 7 -3.334 4.759 1.510 1.00 0.00 C ATOM 127 C TRP A 7 -3.908 3.423 1.057 1.00 0.00 C ATOM 128 O TRP A 7 -5.075 3.345 0.674 1.00 0.00 O ATOM 129 CB TRP A 7 -3.532 5.795 0.398 1.00 0.00 C ATOM 130 CG TRP A 7 -2.625 5.556 -0.779 1.00 0.00 C ATOM 131 CD1 TRP A 7 -1.577 6.338 -1.171 1.00 0.00 C ATOM 132 CD2 TRP A 7 -2.676 4.462 -1.711 1.00 0.00 C ATOM 133 NE1 TRP A 7 -0.963 5.788 -2.271 1.00 0.00 N ATOM 134 CE2 TRP A 7 -1.622 4.641 -2.623 1.00 0.00 C ATOM 135 CE3 TRP A 7 -3.505 3.347 -1.859 1.00 0.00 C ATOM 136 CZ2 TRP A 7 -1.377 3.745 -3.663 1.00 0.00 C ATOM 137 CZ3 TRP A 7 -3.262 2.462 -2.886 1.00 0.00 C ATOM 138 CH2 TRP A 7 -2.207 2.663 -3.775 1.00 0.00 C ATOM 0 H TRP A 7 -1.312 5.019 1.066 1.00 0.00 H new ATOM 0 HA TRP A 7 -3.851 5.072 2.417 1.00 0.00 H new ATOM 0 HB2 TRP A 7 -4.569 5.771 0.064 1.00 0.00 H new ATOM 0 HB3 TRP A 7 -3.348 6.792 0.798 1.00 0.00 H new ATOM 0 HD1 TRP A 7 -1.274 7.255 -0.687 1.00 0.00 H new ATOM 0 HE1 TRP A 7 -0.148 6.173 -2.748 1.00 0.00 H new ATOM 0 HE3 TRP A 7 -4.326 3.181 -1.177 1.00 0.00 H new ATOM 0 HZ2 TRP A 7 -0.562 3.899 -4.355 1.00 0.00 H new ATOM 0 HZ3 TRP A 7 -3.899 1.598 -3.005 1.00 0.00 H new ATOM 0 HH2 TRP A 7 -2.041 1.950 -4.569 1.00 0.00 H new ATOM 149 N TRP A 8 -3.068 2.383 1.055 1.00 0.00 N ATOM 150 CA TRP A 8 -3.481 1.067 0.595 1.00 0.00 C ATOM 151 C TRP A 8 -4.648 0.507 1.393 1.00 0.00 C ATOM 152 O TRP A 8 -5.559 1.235 1.786 1.00 0.00 O ATOM 153 CB TRP A 8 -2.289 0.097 0.598 1.00 0.00 C ATOM 154 CG TRP A 8 -1.412 0.184 1.812 1.00 0.00 C ATOM 155 CD1 TRP A 8 -0.252 0.888 1.914 1.00 0.00 C ATOM 156 CD2 TRP A 8 -1.585 -0.481 3.072 1.00 0.00 C ATOM 157 NE1 TRP A 8 0.291 0.735 3.162 1.00 0.00 N ATOM 158 CE2 TRP A 8 -0.503 -0.103 3.890 1.00 0.00 C ATOM 159 CE3 TRP A 8 -2.548 -1.347 3.595 1.00 0.00 C ATOM 160 CZ2 TRP A 8 -0.357 -0.560 5.193 1.00 0.00 C ATOM 161 CZ3 TRP A 8 -2.400 -1.804 4.890 1.00 0.00 C ATOM 162 CH2 TRP A 8 -1.312 -1.408 5.676 1.00 0.00 C ATOM 0 H TRP A 8 -2.099 2.434 1.368 1.00 0.00 H new ATOM 0 HA TRP A 8 -3.836 1.182 -0.429 1.00 0.00 H new ATOM 0 HB2 TRP A 8 -2.667 -0.922 0.512 1.00 0.00 H new ATOM 0 HB3 TRP A 8 -1.681 0.287 -0.287 1.00 0.00 H new ATOM 0 HD1 TRP A 8 0.179 1.483 1.123 1.00 0.00 H new ATOM 0 HE1 TRP A 8 1.149 1.176 3.493 1.00 0.00 H new ATOM 0 HE3 TRP A 8 -3.394 -1.654 2.997 1.00 0.00 H new ATOM 0 HZ2 TRP A 8 0.481 -0.256 5.802 1.00 0.00 H new ATOM 0 HZ3 TRP A 8 -3.136 -2.478 5.303 1.00 0.00 H new ATOM 0 HH2 TRP A 8 -1.226 -1.781 6.686 1.00 0.00 H new ATOM 173 N ALA A 9 -4.630 -0.799 1.589 1.00 0.00 N ATOM 174 CA ALA A 9 -5.704 -1.482 2.297 1.00 0.00 C ATOM 175 C ALA A 9 -6.973 -1.431 1.456 1.00 0.00 C ATOM 176 O ALA A 9 -8.085 -1.319 1.974 1.00 0.00 O ATOM 177 CB ALA A 9 -5.940 -0.867 3.672 1.00 0.00 C ATOM 0 H ALA A 9 -3.881 -1.412 1.267 1.00 0.00 H new ATOM 0 HA ALA A 9 -5.417 -2.522 2.454 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -6.748 -1.399 4.175 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -5.029 -0.944 4.266 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -6.212 0.183 3.559 1.00 0.00 H new ATOM 183 N PHE A 10 -6.776 -1.514 0.144 1.00 0.00 N ATOM 184 CA PHE A 10 -7.866 -1.479 -0.822 1.00 0.00 C ATOM 185 C PHE A 10 -7.512 -2.365 -2.008 1.00 0.00 C ATOM 186 O PHE A 10 -8.270 -3.259 -2.387 1.00 0.00 O ATOM 187 CB PHE A 10 -8.105 -0.041 -1.294 1.00 0.00 C ATOM 188 CG PHE A 10 -9.238 0.100 -2.276 1.00 0.00 C ATOM 189 CD1 PHE A 10 -10.462 -0.505 -2.038 1.00 0.00 C ATOM 190 CD2 PHE A 10 -9.076 0.842 -3.435 1.00 0.00 C ATOM 191 CE1 PHE A 10 -11.503 -0.373 -2.938 1.00 0.00 C ATOM 192 CE2 PHE A 10 -10.114 0.977 -4.339 1.00 0.00 C ATOM 193 CZ PHE A 10 -11.328 0.369 -4.090 1.00 0.00 C ATOM 0 H PHE A 10 -5.853 -1.608 -0.279 1.00 0.00 H new ATOM 0 HA PHE A 10 -8.778 -1.847 -0.353 1.00 0.00 H new ATOM 0 HB2 PHE A 10 -8.309 0.586 -0.426 1.00 0.00 H new ATOM 0 HB3 PHE A 10 -7.191 0.337 -1.752 1.00 0.00 H new ATOM 0 HD1 PHE A 10 -10.604 -1.086 -1.139 1.00 0.00 H new ATOM 0 HD2 PHE A 10 -8.128 1.320 -3.635 1.00 0.00 H new ATOM 0 HE1 PHE A 10 -12.452 -0.849 -2.741 1.00 0.00 H new ATOM 0 HE2 PHE A 10 -9.975 1.558 -5.239 1.00 0.00 H new ATOM 0 HZ PHE A 10 -12.140 0.473 -4.795 1.00 0.00 H new ATOM 203 N LEU A 11 -6.330 -2.123 -2.564 1.00 0.00 N ATOM 204 CA LEU A 11 -5.824 -2.904 -3.682 1.00 0.00 C ATOM 205 C LEU A 11 -4.646 -3.745 -3.210 1.00 0.00 C ATOM 206 O LEU A 11 -4.440 -4.871 -3.663 1.00 0.00 O ATOM 207 CB LEU A 11 -5.414 -1.989 -4.846 1.00 0.00 C ATOM 208 CG LEU A 11 -4.393 -0.893 -4.515 1.00 0.00 C ATOM 209 CD1 LEU A 11 -2.977 -1.452 -4.485 1.00 0.00 C ATOM 210 CD2 LEU A 11 -4.495 0.243 -5.521 1.00 0.00 C ATOM 0 H LEU A 11 -5.700 -1.384 -2.253 1.00 0.00 H new ATOM 0 HA LEU A 11 -6.612 -3.563 -4.047 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -5.005 -2.610 -5.643 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -6.312 -1.514 -5.241 1.00 0.00 H new ATOM 0 HG LEU A 11 -4.621 -0.506 -3.522 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -2.275 -0.652 -4.248 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -2.909 -2.231 -3.726 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -2.731 -1.873 -5.460 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -3.765 1.014 -5.274 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -4.296 -0.139 -6.522 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -5.498 0.669 -5.488 1.00 0.00 H new ATOM 222 N ARG A 12 -3.885 -3.176 -2.280 1.00 0.00 N ATOM 223 CA ARG A 12 -2.726 -3.839 -1.704 1.00 0.00 C ATOM 224 C ARG A 12 -3.153 -4.932 -0.726 1.00 0.00 C ATOM 225 O ARG A 12 -2.717 -6.078 -0.830 1.00 0.00 O ATOM 226 CB ARG A 12 -1.838 -2.799 -1.011 1.00 0.00 C ATOM 227 CG ARG A 12 -0.865 -3.381 -0.006 1.00 0.00 C ATOM 228 CD ARG A 12 0.305 -2.450 0.246 1.00 0.00 C ATOM 229 NE ARG A 12 1.001 -2.107 -0.993 1.00 0.00 N ATOM 230 CZ ARG A 12 1.631 -2.995 -1.759 1.00 0.00 C ATOM 231 NH1 ARG A 12 1.689 -4.271 -1.399 1.00 0.00 N ATOM 232 NH2 ARG A 12 2.211 -2.603 -2.886 1.00 0.00 N ATOM 0 H ARG A 12 -4.057 -2.243 -1.906 1.00 0.00 H new ATOM 0 HA ARG A 12 -2.157 -4.318 -2.501 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -1.276 -2.255 -1.770 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -2.475 -2.074 -0.505 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -1.384 -3.575 0.933 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -0.495 -4.340 -0.370 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -0.052 -1.539 0.727 1.00 0.00 H new ATOM 0 HD3 ARG A 12 1.003 -2.922 0.937 1.00 0.00 H new ATOM 0 HE ARG A 12 1.004 -1.131 -1.288 1.00 0.00 H new ATOM 0 HH11 ARG A 12 1.249 -4.576 -0.531 1.00 0.00 H new ATOM 0 HH12 ARG A 12 2.173 -4.946 -1.991 1.00 0.00 H new ATOM 0 HH21 ARG A 12 2.174 -1.622 -3.164 1.00 0.00 H new ATOM 0 HH22 ARG A 12 2.694 -3.282 -3.474 1.00 0.00 H new