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 -5.304 -0.121 -0.686 1.00 0.00 N ATOM 68 CA PHE A 4 -3.882 0.197 -0.795 1.00 0.00 C ATOM 69 C PHE A 4 -3.659 1.705 -0.892 1.00 0.00 C ATOM 70 O PHE A 4 -4.433 2.423 -1.524 1.00 0.00 O ATOM 71 CB PHE A 4 -3.246 -0.518 -1.993 1.00 0.00 C ATOM 72 CG PHE A 4 -3.918 -0.265 -3.319 1.00 0.00 C ATOM 73 CD1 PHE A 4 -3.879 0.986 -3.917 1.00 0.00 C ATOM 74 CD2 PHE A 4 -4.586 -1.290 -3.968 1.00 0.00 C ATOM 75 CE1 PHE A 4 -4.494 1.208 -5.134 1.00 0.00 C ATOM 76 CE2 PHE A 4 -5.204 -1.074 -5.185 1.00 0.00 C ATOM 77 CZ PHE A 4 -5.158 0.176 -5.769 1.00 0.00 C ATOM 0 HA PHE A 4 -3.396 -0.160 0.113 1.00 0.00 H new ATOM 0 HB2 PHE A 4 -2.203 -0.211 -2.068 1.00 0.00 H new ATOM 0 HB3 PHE A 4 -3.250 -1.591 -1.800 1.00 0.00 H new ATOM 0 HD1 PHE A 4 -3.362 1.796 -3.425 1.00 0.00 H new ATOM 0 HD2 PHE A 4 -4.624 -2.271 -3.517 1.00 0.00 H new ATOM 0 HE1 PHE A 4 -4.456 2.187 -5.588 1.00 0.00 H new ATOM 0 HE2 PHE A 4 -5.723 -1.882 -5.679 1.00 0.00 H new ATOM 0 HZ PHE A 4 -5.640 0.347 -6.720 1.00 0.00 H new ATOM 87 N PRO A 5 -2.591 2.203 -0.250 1.00 0.00 N ATOM 88 CA PRO A 5 -2.256 3.623 -0.256 1.00 0.00 C ATOM 89 C PRO A 5 -1.577 4.051 -1.557 1.00 0.00 C ATOM 90 O PRO A 5 -2.244 4.301 -2.562 1.00 0.00 O ATOM 91 CB PRO A 5 -1.308 3.764 0.939 1.00 0.00 C ATOM 92 CG PRO A 5 -0.665 2.427 1.089 1.00 0.00 C ATOM 93 CD PRO A 5 -1.628 1.409 0.533 1.00 0.00 C ATOM 0 HA PRO A 5 -3.138 4.259 -0.185 1.00 0.00 H new ATOM 0 HB2 PRO A 5 -0.564 4.541 0.762 1.00 0.00 H new ATOM 0 HB3 PRO A 5 -1.851 4.043 1.842 1.00 0.00 H new ATOM 0 HG2 PRO A 5 0.284 2.393 0.553 1.00 0.00 H new ATOM 0 HG3 PRO A 5 -0.447 2.219 2.137 1.00 0.00 H new ATOM 0 HD2 PRO A 5 -1.116 0.677 -0.092 1.00 0.00 H new ATOM 0 HD3 PRO A 5 -2.125 0.855 1.330 1.00 0.00 H new ATOM 101 N TRP A 6 -0.250 4.138 -1.528 1.00 0.00 N ATOM 102 CA TRP A 6 0.531 4.541 -2.693 1.00 0.00 C ATOM 103 C TRP A 6 2.017 4.409 -2.389 1.00 0.00 C ATOM 104 O TRP A 6 2.811 4.001 -3.238 1.00 0.00 O ATOM 105 CB TRP A 6 0.195 5.984 -3.074 1.00 0.00 C ATOM 106 CG TRP A 6 0.348 6.945 -1.934 1.00 0.00 C ATOM 107 CD1 TRP A 6 -0.507 7.106 -0.881 1.00 0.00 C ATOM 108 CD2 TRP A 6 1.410 7.886 -1.736 1.00 0.00 C ATOM 109 NE1 TRP A 6 -0.039 8.083 -0.037 1.00 0.00 N ATOM 110 CE2 TRP A 6 1.135 8.579 -0.541 1.00 0.00 C ATOM 111 CE3 TRP A 6 2.567 8.208 -2.450 1.00 0.00 C ATOM 112 CZ2 TRP A 6 1.976 9.574 -0.046 1.00 0.00 C ATOM 113 CZ3 TRP A 6 3.400 9.197 -1.958 1.00 0.00 C ATOM 114 CH2 TRP A 6 3.101 9.869 -0.766 1.00 0.00 C ATOM 0 H TRP A 6 0.311 3.932 -0.701 1.00 0.00 H new ATOM 0 HA TRP A 6 0.283 3.891 -3.532 1.00 0.00 H new ATOM 0 HB2 TRP A 6 0.842 6.297 -3.894 1.00 0.00 H new ATOM 0 HB3 TRP A 6 -0.830 6.027 -3.442 1.00 0.00 H new ATOM 0 HD1 TRP A 6 -1.419 6.546 -0.734 1.00 0.00 H new ATOM 0 HE1 TRP A 6 -0.491 8.389 0.824 1.00 0.00 H new ATOM 0 HE3 TRP A 6 2.807 7.694 -3.369 1.00 0.00 H new ATOM 0 HZ2 TRP A 6 1.748 10.093 0.873 1.00 0.00 H new ATOM 0 HZ3 TRP A 6 4.296 9.455 -2.502 1.00 0.00 H new ATOM 0 HH2 TRP A 6 3.772 10.636 -0.408 1.00 0.00 H new ATOM 125 N TRP A 7 2.372 4.759 -1.161 1.00 0.00 N ATOM 126 CA TRP A 7 3.750 4.696 -0.692 1.00 0.00 C ATOM 127 C TRP A 7 4.169 3.262 -0.380 1.00 0.00 C ATOM 128 O TRP A 7 5.274 3.033 0.112 1.00 0.00 O ATOM 129 CB TRP A 7 3.885 5.549 0.575 1.00 0.00 C ATOM 130 CG TRP A 7 2.838 5.233 1.611 1.00 0.00 C ATOM 131 CD1 TRP A 7 1.826 6.051 2.023 1.00 0.00 C ATOM 132 CD2 TRP A 7 2.699 4.017 2.365 1.00 0.00 C ATOM 133 NE1 TRP A 7 1.058 5.415 2.970 1.00 0.00 N ATOM 134 CE2 TRP A 7 1.576 4.167 3.199 1.00 0.00 C ATOM 135 CE3 TRP A 7 3.409 2.815 2.412 1.00 0.00 C ATOM 136 CZ2 TRP A 7 1.153 3.158 4.064 1.00 0.00 C ATOM 137 CZ3 TRP A 7 2.989 1.821 3.265 1.00 0.00 C ATOM 138 CH2 TRP A 7 1.872 1.994 4.081 1.00 0.00 C ATOM 0 H TRP A 7 1.712 5.095 -0.460 1.00 0.00 H new ATOM 0 HA TRP A 7 4.399 5.075 -1.481 1.00 0.00 H new ATOM 0 HB2 TRP A 7 4.874 5.395 1.007 1.00 0.00 H new ATOM 0 HB3 TRP A 7 3.816 6.603 0.306 1.00 0.00 H new ATOM 0 HD1 TRP A 7 1.653 7.053 1.658 1.00 0.00 H new ATOM 0 HE1 TRP A 7 0.236 5.808 3.428 1.00 0.00 H new ATOM 0 HE3 TRP A 7 4.277 2.668 1.786 1.00 0.00 H new ATOM 0 HZ2 TRP A 7 0.289 3.291 4.698 1.00 0.00 H new ATOM 0 HZ3 TRP A 7 3.534 0.890 3.303 1.00 0.00 H new ATOM 0 HH2 TRP A 7 1.568 1.194 4.739 1.00 0.00 H new ATOM 149 N TRP A 8 3.269 2.307 -0.622 1.00 0.00 N ATOM 150 CA TRP A 8 3.533 0.906 -0.317 1.00 0.00 C ATOM 151 C TRP A 8 4.746 0.355 -1.058 1.00 0.00 C ATOM 152 O TRP A 8 5.760 1.036 -1.208 1.00 0.00 O ATOM 153 CB TRP A 8 2.282 0.061 -0.588 1.00 0.00 C ATOM 154 CG TRP A 8 1.559 0.420 -1.848 1.00 0.00 C ATOM 155 CD1 TRP A 8 0.500 1.267 -1.946 1.00 0.00 C ATOM 156 CD2 TRP A 8 1.804 -0.072 -3.174 1.00 0.00 C ATOM 157 NE1 TRP A 8 0.080 1.355 -3.249 1.00 0.00 N ATOM 158 CE2 TRP A 8 0.861 0.540 -4.022 1.00 0.00 C ATOM 159 CE3 TRP A 8 2.727 -0.962 -3.732 1.00 0.00 C ATOM 160 CZ2 TRP A 8 0.815 0.292 -5.390 1.00 0.00 C ATOM 161 CZ3 TRP A 8 2.679 -1.208 -5.090 1.00 0.00 C ATOM 162 CH2 TRP A 8 1.729 -0.583 -5.905 1.00 0.00 C ATOM 0 H TRP A 8 2.350 2.482 -1.029 1.00 0.00 H new ATOM 0 HA TRP A 8 3.778 0.847 0.744 1.00 0.00 H new ATOM 0 HB2 TRP A 8 2.570 -0.989 -0.635 1.00 0.00 H new ATOM 0 HB3 TRP A 8 1.597 0.167 0.253 1.00 0.00 H new ATOM 0 HD1 TRP A 8 0.053 1.795 -1.117 1.00 0.00 H new ATOM 0 HE1 TRP A 8 -0.689 1.934 -3.586 1.00 0.00 H new ATOM 0 HE3 TRP A 8 3.465 -1.449 -3.111 1.00 0.00 H new ATOM 0 HZ2 TRP A 8 0.083 0.774 -6.022 1.00 0.00 H new ATOM 0 HZ3 TRP A 8 3.387 -1.895 -5.530 1.00 0.00 H new ATOM 0 HH2 TRP A 8 1.718 -0.797 -6.964 1.00 0.00 H new ATOM 173 N ALA A 9 4.649 -0.900 -1.476 1.00 0.00 N ATOM 174 CA ALA A 9 5.745 -1.570 -2.155 1.00 0.00 C ATOM 175 C ALA A 9 6.873 -1.825 -1.162 1.00 0.00 C ATOM 176 O ALA A 9 8.055 -1.737 -1.495 1.00 0.00 O ATOM 177 CB ALA A 9 6.237 -0.758 -3.346 1.00 0.00 C ATOM 0 H ALA A 9 3.816 -1.476 -1.355 1.00 0.00 H new ATOM 0 HA ALA A 9 5.389 -2.524 -2.544 1.00 0.00 H new ATOM 0 HB1 ALA A 9 7.057 -1.286 -3.833 1.00 0.00 H new ATOM 0 HB2 ALA A 9 5.421 -0.622 -4.056 1.00 0.00 H new ATOM 0 HB3 ALA A 9 6.586 0.216 -3.003 1.00 0.00 H new ATOM 183 N PHE A 10 6.476 -2.144 0.067 1.00 0.00 N ATOM 184 CA PHE A 10 7.410 -2.422 1.151 1.00 0.00 C ATOM 185 C PHE A 10 6.785 -3.424 2.113 1.00 0.00 C ATOM 186 O PHE A 10 7.308 -4.519 2.319 1.00 0.00 O ATOM 187 CB PHE A 10 7.757 -1.130 1.900 1.00 0.00 C ATOM 188 CG PHE A 10 8.747 -1.324 3.016 1.00 0.00 C ATOM 189 CD1 PHE A 10 9.880 -2.103 2.830 1.00 0.00 C ATOM 190 CD2 PHE A 10 8.545 -0.727 4.250 1.00 0.00 C ATOM 191 CE1 PHE A 10 10.790 -2.282 3.854 1.00 0.00 C ATOM 192 CE2 PHE A 10 9.453 -0.903 5.278 1.00 0.00 C ATOM 193 CZ PHE A 10 10.577 -1.681 5.079 1.00 0.00 C ATOM 0 H PHE A 10 5.495 -2.217 0.338 1.00 0.00 H new ATOM 0 HA PHE A 10 8.326 -2.839 0.733 1.00 0.00 H new ATOM 0 HB2 PHE A 10 8.160 -0.407 1.191 1.00 0.00 H new ATOM 0 HB3 PHE A 10 6.842 -0.701 2.309 1.00 0.00 H new ATOM 0 HD1 PHE A 10 10.052 -2.575 1.874 1.00 0.00 H new ATOM 0 HD2 PHE A 10 7.668 -0.117 4.411 1.00 0.00 H new ATOM 0 HE1 PHE A 10 11.667 -2.892 3.697 1.00 0.00 H new ATOM 0 HE2 PHE A 10 9.284 -0.433 6.235 1.00 0.00 H new ATOM 0 HZ PHE A 10 11.288 -1.819 5.880 1.00 0.00 H new ATOM 203 N LEU A 11 5.641 -3.045 2.672 1.00 0.00 N ATOM 204 CA LEU A 11 4.907 -3.908 3.584 1.00 0.00 C ATOM 205 C LEU A 11 3.730 -4.531 2.848 1.00 0.00 C ATOM 206 O LEU A 11 3.356 -5.678 3.092 1.00 0.00 O ATOM 207 CB LEU A 11 4.434 -3.122 4.817 1.00 0.00 C ATOM 208 CG LEU A 11 3.585 -1.875 4.538 1.00 0.00 C ATOM 209 CD1 LEU A 11 2.136 -2.249 4.261 1.00 0.00 C ATOM 210 CD2 LEU A 11 3.670 -0.906 5.707 1.00 0.00 C ATOM 0 H LEU A 11 5.201 -2.140 2.507 1.00 0.00 H new ATOM 0 HA LEU A 11 5.565 -4.702 3.936 1.00 0.00 H new ATOM 0 HB2 LEU A 11 3.857 -3.795 5.452 1.00 0.00 H new ATOM 0 HB3 LEU A 11 5.312 -2.819 5.388 1.00 0.00 H new ATOM 0 HG LEU A 11 3.982 -1.387 3.648 1.00 0.00 H new ATOM 0 HD11 LEU A 11 1.558 -1.346 4.067 1.00 0.00 H new ATOM 0 HD12 LEU A 11 2.089 -2.904 3.391 1.00 0.00 H new ATOM 0 HD13 LEU A 11 1.722 -2.766 5.127 1.00 0.00 H new ATOM 0 HD21 LEU A 11 3.063 -0.026 5.495 1.00 0.00 H new ATOM 0 HD22 LEU A 11 3.301 -1.392 6.610 1.00 0.00 H new ATOM 0 HD23 LEU A 11 4.707 -0.604 5.855 1.00 0.00 H new ATOM 222 N ARG A 12 3.161 -3.752 1.933 1.00 0.00 N ATOM 223 CA ARG A 12 2.032 -4.191 1.129 1.00 0.00 C ATOM 224 C ARG A 12 2.483 -5.150 0.028 1.00 0.00 C ATOM 225 O ARG A 12 2.093 -6.317 0.011 1.00 0.00 O ATOM 226 CB ARG A 12 1.333 -2.967 0.529 1.00 0.00 C ATOM 227 CG ARG A 12 0.454 -3.271 -0.666 1.00 0.00 C ATOM 228 CD ARG A 12 -0.553 -2.163 -0.908 1.00 0.00 C ATOM 229 NE ARG A 12 -1.347 -1.873 0.285 1.00 0.00 N ATOM 230 CZ ARG A 12 -2.178 -2.743 0.853 1.00 0.00 C ATOM 231 NH1 ARG A 12 -2.343 -3.950 0.330 1.00 0.00 N ATOM 232 NH2 ARG A 12 -2.848 -2.403 1.946 1.00 0.00 N ATOM 0 H ARG A 12 3.471 -2.801 1.731 1.00 0.00 H new ATOM 0 HA ARG A 12 1.331 -4.730 1.766 1.00 0.00 H new ATOM 0 HB2 ARG A 12 0.725 -2.496 1.301 1.00 0.00 H new ATOM 0 HB3 ARG A 12 2.090 -2.241 0.232 1.00 0.00 H new ATOM 0 HG2 ARG A 12 1.075 -3.401 -1.553 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -0.071 -4.213 -0.504 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -0.030 -1.260 -1.223 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -1.217 -2.448 -1.724 1.00 0.00 H new ATOM 0 HE ARG A 12 -1.259 -0.949 0.707 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -1.832 -4.215 -0.512 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -2.981 -4.613 0.769 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -2.726 -1.475 2.351 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -3.485 -3.070 2.382 1.00 0.00 H new