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 -4.926 -0.861 0.455 1.00 0.00 N ATOM 68 CA PHE A 4 -3.567 -0.451 0.134 1.00 0.00 C ATOM 69 C PHE A 4 -3.505 1.038 -0.194 1.00 0.00 C ATOM 70 O PHE A 4 -4.408 1.589 -0.824 1.00 0.00 O ATOM 71 CB PHE A 4 -2.997 -1.286 -1.015 1.00 0.00 C ATOM 72 CG PHE A 4 -3.852 -1.328 -2.255 1.00 0.00 C ATOM 73 CD1 PHE A 4 -4.022 -0.202 -3.046 1.00 0.00 C ATOM 74 CD2 PHE A 4 -4.472 -2.507 -2.636 1.00 0.00 C ATOM 75 CE1 PHE A 4 -4.798 -0.251 -4.189 1.00 0.00 C ATOM 76 CE2 PHE A 4 -5.247 -2.562 -3.779 1.00 0.00 C ATOM 77 CZ PHE A 4 -5.411 -1.433 -4.556 1.00 0.00 C ATOM 0 HA PHE A 4 -2.951 -0.627 1.016 1.00 0.00 H new ATOM 0 HB2 PHE A 4 -2.017 -0.890 -1.281 1.00 0.00 H new ATOM 0 HB3 PHE A 4 -2.844 -2.306 -0.662 1.00 0.00 H new ATOM 0 HD1 PHE A 4 -3.543 0.724 -2.766 1.00 0.00 H new ATOM 0 HD2 PHE A 4 -4.348 -3.394 -2.032 1.00 0.00 H new ATOM 0 HE1 PHE A 4 -4.925 0.634 -4.794 1.00 0.00 H new ATOM 0 HE2 PHE A 4 -5.724 -3.488 -4.064 1.00 0.00 H new ATOM 0 HZ PHE A 4 -6.017 -1.474 -5.449 1.00 0.00 H new ATOM 87 N PRO A 5 -2.432 1.709 0.247 1.00 0.00 N ATOM 88 CA PRO A 5 -2.240 3.136 0.016 1.00 0.00 C ATOM 89 C PRO A 5 -1.791 3.436 -1.413 1.00 0.00 C ATOM 90 O PRO A 5 -2.606 3.466 -2.335 1.00 0.00 O ATOM 91 CB PRO A 5 -1.161 3.518 1.034 1.00 0.00 C ATOM 92 CG PRO A 5 -0.392 2.266 1.284 1.00 0.00 C ATOM 93 CD PRO A 5 -1.323 1.113 1.011 1.00 0.00 C ATOM 0 HA PRO A 5 -3.163 3.703 0.136 1.00 0.00 H new ATOM 0 HB2 PRO A 5 -0.515 4.305 0.645 1.00 0.00 H new ATOM 0 HB3 PRO A 5 -1.606 3.896 1.954 1.00 0.00 H new ATOM 0 HG2 PRO A 5 0.484 2.216 0.637 1.00 0.00 H new ATOM 0 HG3 PRO A 5 -0.031 2.234 2.312 1.00 0.00 H new ATOM 0 HD2 PRO A 5 -0.826 0.327 0.442 1.00 0.00 H new ATOM 0 HD3 PRO A 5 -1.677 0.660 1.937 1.00 0.00 H new ATOM 101 N TRP A 6 -0.493 3.663 -1.585 1.00 0.00 N ATOM 102 CA TRP A 6 0.075 3.970 -2.892 1.00 0.00 C ATOM 103 C TRP A 6 1.594 4.017 -2.794 1.00 0.00 C ATOM 104 O TRP A 6 2.308 3.587 -3.700 1.00 0.00 O ATOM 105 CB TRP A 6 -0.470 5.307 -3.397 1.00 0.00 C ATOM 106 CG TRP A 6 -0.268 6.430 -2.426 1.00 0.00 C ATOM 107 CD1 TRP A 6 -0.976 6.659 -1.281 1.00 0.00 C ATOM 108 CD2 TRP A 6 0.695 7.486 -2.520 1.00 0.00 C ATOM 109 NE1 TRP A 6 -0.507 7.786 -0.653 1.00 0.00 N ATOM 110 CE2 TRP A 6 0.518 8.314 -1.395 1.00 0.00 C ATOM 111 CE3 TRP A 6 1.692 7.809 -3.444 1.00 0.00 C ATOM 112 CZ2 TRP A 6 1.300 9.444 -1.172 1.00 0.00 C ATOM 113 CZ3 TRP A 6 2.467 8.932 -3.222 1.00 0.00 C ATOM 114 CH2 TRP A 6 2.268 9.737 -2.094 1.00 0.00 C ATOM 0 H TRP A 6 0.190 3.640 -0.828 1.00 0.00 H new ATOM 0 HA TRP A 6 -0.207 3.191 -3.600 1.00 0.00 H new ATOM 0 HB2 TRP A 6 0.017 5.558 -4.339 1.00 0.00 H new ATOM 0 HB3 TRP A 6 -1.535 5.203 -3.606 1.00 0.00 H new ATOM 0 HD1 TRP A 6 -1.787 6.043 -0.922 1.00 0.00 H new ATOM 0 HE1 TRP A 6 -0.863 8.168 0.223 1.00 0.00 H new ATOM 0 HE3 TRP A 6 1.854 7.193 -4.316 1.00 0.00 H new ATOM 0 HZ2 TRP A 6 1.148 10.067 -0.303 1.00 0.00 H new ATOM 0 HZ3 TRP A 6 3.239 9.193 -3.931 1.00 0.00 H new ATOM 0 HH2 TRP A 6 2.891 10.607 -1.948 1.00 0.00 H new ATOM 125 N TRP A 7 2.069 4.539 -1.671 1.00 0.00 N ATOM 126 CA TRP A 7 3.496 4.653 -1.402 1.00 0.00 C ATOM 127 C TRP A 7 4.096 3.304 -1.016 1.00 0.00 C ATOM 128 O TRP A 7 5.283 3.220 -0.699 1.00 0.00 O ATOM 129 CB TRP A 7 3.719 5.656 -0.261 1.00 0.00 C ATOM 130 CG TRP A 7 2.872 5.374 0.952 1.00 0.00 C ATOM 131 CD1 TRP A 7 1.860 6.151 1.440 1.00 0.00 C ATOM 132 CD2 TRP A 7 2.963 4.243 1.834 1.00 0.00 C ATOM 133 NE1 TRP A 7 1.307 5.565 2.555 1.00 0.00 N ATOM 134 CE2 TRP A 7 1.969 4.394 2.817 1.00 0.00 C ATOM 135 CE3 TRP A 7 3.783 3.114 1.884 1.00 0.00 C ATOM 136 CZ2 TRP A 7 1.777 3.457 3.832 1.00 0.00 C ATOM 137 CZ3 TRP A 7 3.592 2.191 2.885 1.00 0.00 C ATOM 138 CH2 TRP A 7 2.598 2.363 3.846 1.00 0.00 C ATOM 0 H TRP A 7 1.476 4.895 -0.921 1.00 0.00 H new ATOM 0 HA TRP A 7 3.990 4.999 -2.310 1.00 0.00 H new ATOM 0 HB2 TRP A 7 4.770 5.641 0.027 1.00 0.00 H new ATOM 0 HB3 TRP A 7 3.502 6.661 -0.622 1.00 0.00 H new ATOM 0 HD1 TRP A 7 1.540 7.090 1.012 1.00 0.00 H new ATOM 0 HE1 TRP A 7 0.530 5.941 3.099 1.00 0.00 H new ATOM 0 HE3 TRP A 7 4.558 2.968 1.146 1.00 0.00 H new ATOM 0 HZ2 TRP A 7 1.009 3.590 4.579 1.00 0.00 H new ATOM 0 HZ3 TRP A 7 4.224 1.316 2.927 1.00 0.00 H new ATOM 0 HH2 TRP A 7 2.473 1.618 4.617 1.00 0.00 H new ATOM 149 N TRP A 8 3.263 2.260 -0.995 1.00 0.00 N ATOM 150 CA TRP A 8 3.706 0.931 -0.593 1.00 0.00 C ATOM 151 C TRP A 8 4.817 0.382 -1.477 1.00 0.00 C ATOM 152 O TRP A 8 5.699 1.119 -1.918 1.00 0.00 O ATOM 153 CB TRP A 8 2.513 -0.031 -0.535 1.00 0.00 C ATOM 154 CG TRP A 8 1.573 0.075 -1.697 1.00 0.00 C ATOM 155 CD1 TRP A 8 0.442 0.828 -1.744 1.00 0.00 C ATOM 156 CD2 TRP A 8 1.647 -0.616 -2.953 1.00 0.00 C ATOM 157 NE1 TRP A 8 -0.183 0.674 -2.955 1.00 0.00 N ATOM 158 CE2 TRP A 8 0.534 -0.209 -3.714 1.00 0.00 C ATOM 159 CE3 TRP A 8 2.544 -1.529 -3.515 1.00 0.00 C ATOM 160 CZ2 TRP A 8 0.295 -0.684 -4.999 1.00 0.00 C ATOM 161 CZ3 TRP A 8 2.304 -2.000 -4.791 1.00 0.00 C ATOM 162 CH2 TRP A 8 1.188 -1.576 -5.519 1.00 0.00 C ATOM 0 H TRP A 8 2.278 2.314 -1.253 1.00 0.00 H new ATOM 0 HA TRP A 8 4.135 1.024 0.405 1.00 0.00 H new ATOM 0 HB2 TRP A 8 2.889 -1.053 -0.480 1.00 0.00 H new ATOM 0 HB3 TRP A 8 1.957 0.154 0.384 1.00 0.00 H new ATOM 0 HD1 TRP A 8 0.086 1.458 -0.942 1.00 0.00 H new ATOM 0 HE1 TRP A 8 -1.043 1.142 -3.243 1.00 0.00 H new ATOM 0 HE3 TRP A 8 3.410 -1.860 -2.961 1.00 0.00 H new ATOM 0 HZ2 TRP A 8 -0.566 -0.359 -5.565 1.00 0.00 H new ATOM 0 HZ3 TRP A 8 2.990 -2.707 -5.234 1.00 0.00 H new ATOM 0 HH2 TRP A 8 1.029 -1.963 -6.515 1.00 0.00 H new ATOM 173 N ALA A 9 4.790 -0.926 -1.692 1.00 0.00 N ATOM 174 CA ALA A 9 5.811 -1.598 -2.476 1.00 0.00 C ATOM 175 C ALA A 9 7.124 -1.594 -1.701 1.00 0.00 C ATOM 176 O ALA A 9 8.206 -1.444 -2.269 1.00 0.00 O ATOM 177 CB ALA A 9 5.979 -0.944 -3.843 1.00 0.00 C ATOM 0 H ALA A 9 4.065 -1.545 -1.330 1.00 0.00 H new ATOM 0 HA ALA A 9 5.502 -2.629 -2.651 1.00 0.00 H new ATOM 0 HB1 ALA A 9 6.750 -1.470 -4.406 1.00 0.00 H new ATOM 0 HB2 ALA A 9 5.036 -0.992 -4.388 1.00 0.00 H new ATOM 0 HB3 ALA A 9 6.271 0.098 -3.714 1.00 0.00 H new ATOM 183 N PHE A 10 6.997 -1.761 -0.388 1.00 0.00 N ATOM 184 CA PHE A 10 8.136 -1.785 0.521 1.00 0.00 C ATOM 185 C PHE A 10 7.833 -2.721 1.682 1.00 0.00 C ATOM 186 O PHE A 10 8.538 -3.703 1.912 1.00 0.00 O ATOM 187 CB PHE A 10 8.415 -0.376 1.055 1.00 0.00 C ATOM 188 CG PHE A 10 9.627 -0.296 1.941 1.00 0.00 C ATOM 189 CD1 PHE A 10 10.860 -0.746 1.495 1.00 0.00 C ATOM 190 CD2 PHE A 10 9.533 0.232 3.219 1.00 0.00 C ATOM 191 CE1 PHE A 10 11.976 -0.671 2.306 1.00 0.00 C ATOM 192 CE2 PHE A 10 10.646 0.309 4.035 1.00 0.00 C ATOM 193 CZ PHE A 10 11.869 -0.143 3.578 1.00 0.00 C ATOM 0 H PHE A 10 6.097 -1.884 0.076 1.00 0.00 H new ATOM 0 HA PHE A 10 9.016 -2.139 -0.016 1.00 0.00 H new ATOM 0 HB2 PHE A 10 8.546 0.303 0.213 1.00 0.00 H new ATOM 0 HB3 PHE A 10 7.545 -0.029 1.612 1.00 0.00 H new ATOM 0 HD1 PHE A 10 10.949 -1.160 0.502 1.00 0.00 H new ATOM 0 HD2 PHE A 10 8.580 0.587 3.581 1.00 0.00 H new ATOM 0 HE1 PHE A 10 12.931 -1.025 1.946 1.00 0.00 H new ATOM 0 HE2 PHE A 10 10.560 0.722 5.029 1.00 0.00 H new ATOM 0 HZ PHE A 10 12.740 -0.084 4.214 1.00 0.00 H new ATOM 203 N LEU A 11 6.749 -2.416 2.386 1.00 0.00 N ATOM 204 CA LEU A 11 6.296 -3.227 3.506 1.00 0.00 C ATOM 205 C LEU A 11 5.065 -4.017 3.088 1.00 0.00 C ATOM 206 O LEU A 11 4.923 -5.197 3.409 1.00 0.00 O ATOM 207 CB LEU A 11 5.976 -2.353 4.723 1.00 0.00 C ATOM 208 CG LEU A 11 5.101 -1.128 4.442 1.00 0.00 C ATOM 209 CD1 LEU A 11 4.410 -0.666 5.714 1.00 0.00 C ATOM 210 CD2 LEU A 11 5.942 -0.001 3.862 1.00 0.00 C ATOM 0 H LEU A 11 6.163 -1.603 2.196 1.00 0.00 H new ATOM 0 HA LEU A 11 7.094 -3.914 3.788 1.00 0.00 H new ATOM 0 HB2 LEU A 11 5.478 -2.970 5.471 1.00 0.00 H new ATOM 0 HB3 LEU A 11 6.914 -2.015 5.163 1.00 0.00 H new ATOM 0 HG LEU A 11 4.339 -1.407 3.714 1.00 0.00 H new ATOM 0 HD11 LEU A 11 3.792 0.205 5.497 1.00 0.00 H new ATOM 0 HD12 LEU A 11 3.782 -1.469 6.099 1.00 0.00 H new ATOM 0 HD13 LEU A 11 5.160 -0.402 6.460 1.00 0.00 H new ATOM 0 HD21 LEU A 11 5.307 0.863 3.667 1.00 0.00 H new ATOM 0 HD22 LEU A 11 6.722 0.274 4.572 1.00 0.00 H new ATOM 0 HD23 LEU A 11 6.401 -0.332 2.930 1.00 0.00 H new ATOM 222 N ARG A 12 4.186 -3.347 2.349 1.00 0.00 N ATOM 223 CA ARG A 12 2.966 -3.960 1.849 1.00 0.00 C ATOM 224 C ARG A 12 3.290 -5.077 0.864 1.00 0.00 C ATOM 225 O ARG A 12 2.842 -6.213 1.024 1.00 0.00 O ATOM 226 CB ARG A 12 2.094 -2.893 1.181 1.00 0.00 C ATOM 227 CG ARG A 12 1.089 -3.442 0.190 1.00 0.00 C ATOM 228 CD ARG A 12 -0.046 -2.466 -0.056 1.00 0.00 C ATOM 229 NE ARG A 12 -0.738 -2.112 1.182 1.00 0.00 N ATOM 230 CZ ARG A 12 -1.422 -2.979 1.924 1.00 0.00 C ATOM 231 NH1 ARG A 12 -1.519 -4.249 1.551 1.00 0.00 N ATOM 232 NH2 ARG A 12 -2.012 -2.574 3.040 1.00 0.00 N ATOM 0 H ARG A 12 4.301 -2.369 2.083 1.00 0.00 H new ATOM 0 HA ARG A 12 2.420 -4.396 2.685 1.00 0.00 H new ATOM 0 HB2 ARG A 12 1.560 -2.340 1.954 1.00 0.00 H new ATOM 0 HB3 ARG A 12 2.740 -2.180 0.669 1.00 0.00 H new ATOM 0 HG2 ARG A 12 1.590 -3.662 -0.752 1.00 0.00 H new ATOM 0 HG3 ARG A 12 0.685 -4.383 0.564 1.00 0.00 H new ATOM 0 HD2 ARG A 12 0.347 -1.563 -0.524 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -0.757 -2.905 -0.757 1.00 0.00 H new ATOM 0 HE ARG A 12 -0.694 -1.142 1.496 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -1.068 -4.564 0.692 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -2.044 -4.910 2.123 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -1.941 -1.598 3.329 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -2.537 -3.238 3.609 1.00 0.00 H new