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 4.838 1.680 0.633 1.00 0.00 N ATOM 68 CA PHE A 4 3.559 1.141 0.193 1.00 0.00 C ATOM 69 C PHE A 4 3.694 -0.326 -0.205 1.00 0.00 C ATOM 70 O PHE A 4 4.698 -0.737 -0.787 1.00 0.00 O ATOM 71 CB PHE A 4 2.981 1.965 -0.963 1.00 0.00 C ATOM 72 CG PHE A 4 3.889 2.096 -2.158 1.00 0.00 C ATOM 73 CD1 PHE A 4 4.112 1.022 -3.007 1.00 0.00 C ATOM 74 CD2 PHE A 4 4.508 3.304 -2.439 1.00 0.00 C ATOM 75 CE1 PHE A 4 4.938 1.150 -4.108 1.00 0.00 C ATOM 76 CE2 PHE A 4 5.333 3.438 -3.539 1.00 0.00 C ATOM 77 CZ PHE A 4 5.549 2.360 -4.375 1.00 0.00 C ATOM 0 HA PHE A 4 2.865 1.204 1.031 1.00 0.00 H new ATOM 0 HB2 PHE A 4 2.044 1.509 -1.284 1.00 0.00 H new ATOM 0 HB3 PHE A 4 2.740 2.963 -0.595 1.00 0.00 H new ATOM 0 HD1 PHE A 4 3.635 0.074 -2.805 1.00 0.00 H new ATOM 0 HD2 PHE A 4 4.343 4.151 -1.790 1.00 0.00 H new ATOM 0 HE1 PHE A 4 5.106 0.305 -4.759 1.00 0.00 H new ATOM 0 HE2 PHE A 4 5.809 4.385 -3.745 1.00 0.00 H new ATOM 0 HZ PHE A 4 6.194 2.463 -5.235 1.00 0.00 H new ATOM 87 N PRO A 5 2.677 -1.138 0.120 1.00 0.00 N ATOM 88 CA PRO A 5 2.669 -2.564 -0.190 1.00 0.00 C ATOM 89 C PRO A 5 2.292 -2.836 -1.648 1.00 0.00 C ATOM 90 O PRO A 5 3.124 -2.708 -2.547 1.00 0.00 O ATOM 91 CB PRO A 5 1.616 -3.115 0.776 1.00 0.00 C ATOM 92 CG PRO A 5 0.653 -1.990 0.968 1.00 0.00 C ATOM 93 CD PRO A 5 1.451 -0.718 0.823 1.00 0.00 C ATOM 0 HA PRO A 5 3.649 -3.028 -0.074 1.00 0.00 H new ATOM 0 HB2 PRO A 5 1.121 -3.994 0.363 1.00 0.00 H new ATOM 0 HB3 PRO A 5 2.066 -3.417 1.722 1.00 0.00 H new ATOM 0 HG2 PRO A 5 -0.147 -2.033 0.229 1.00 0.00 H new ATOM 0 HG3 PRO A 5 0.183 -2.044 1.950 1.00 0.00 H new ATOM 0 HD2 PRO A 5 0.903 0.033 0.254 1.00 0.00 H new ATOM 0 HD3 PRO A 5 1.679 -0.278 1.794 1.00 0.00 H new ATOM 101 N TRP A 6 1.036 -3.211 -1.869 1.00 0.00 N ATOM 102 CA TRP A 6 0.530 -3.509 -3.205 1.00 0.00 C ATOM 103 C TRP A 6 -0.972 -3.753 -3.133 1.00 0.00 C ATOM 104 O TRP A 6 -1.734 -3.339 -4.006 1.00 0.00 O ATOM 105 CB TRP A 6 1.248 -4.731 -3.779 1.00 0.00 C ATOM 106 CG TRP A 6 1.166 -5.935 -2.891 1.00 0.00 C ATOM 107 CD1 TRP A 6 1.859 -6.146 -1.733 1.00 0.00 C ATOM 108 CD2 TRP A 6 0.358 -7.099 -3.095 1.00 0.00 C ATOM 109 NE1 TRP A 6 1.523 -7.367 -1.200 1.00 0.00 N ATOM 110 CE2 TRP A 6 0.605 -7.972 -2.019 1.00 0.00 C ATOM 111 CE3 TRP A 6 -0.554 -7.486 -4.082 1.00 0.00 C ATOM 112 CZ2 TRP A 6 -0.026 -9.208 -1.903 1.00 0.00 C ATOM 113 CZ3 TRP A 6 -1.179 -8.713 -3.965 1.00 0.00 C ATOM 114 CH2 TRP A 6 -0.913 -9.561 -2.883 1.00 0.00 C ATOM 0 H TRP A 6 0.342 -3.317 -1.129 1.00 0.00 H new ATOM 0 HA TRP A 6 0.720 -2.662 -3.864 1.00 0.00 H new ATOM 0 HB2 TRP A 6 0.818 -4.974 -4.750 1.00 0.00 H new ATOM 0 HB3 TRP A 6 2.296 -4.483 -3.948 1.00 0.00 H new ATOM 0 HD1 TRP A 6 2.567 -5.455 -1.300 1.00 0.00 H new ATOM 0 HE1 TRP A 6 1.896 -7.759 -0.336 1.00 0.00 H new ATOM 0 HE3 TRP A 6 -0.766 -6.838 -4.920 1.00 0.00 H new ATOM 0 HZ2 TRP A 6 0.177 -9.864 -1.070 1.00 0.00 H new ATOM 0 HZ3 TRP A 6 -1.885 -9.023 -4.721 1.00 0.00 H new ATOM 0 HH2 TRP A 6 -1.418 -10.513 -2.821 1.00 0.00 H new ATOM 125 N TRP A 7 -1.374 -4.419 -2.060 1.00 0.00 N ATOM 126 CA TRP A 7 -2.773 -4.732 -1.798 1.00 0.00 C ATOM 127 C TRP A 7 -3.512 -3.507 -1.276 1.00 0.00 C ATOM 128 O TRP A 7 -4.681 -3.596 -0.901 1.00 0.00 O ATOM 129 CB TRP A 7 -2.839 -5.844 -0.744 1.00 0.00 C ATOM 130 CG TRP A 7 -1.973 -5.549 0.452 1.00 0.00 C ATOM 131 CD1 TRP A 7 -0.829 -6.202 0.810 1.00 0.00 C ATOM 132 CD2 TRP A 7 -2.171 -4.522 1.440 1.00 0.00 C ATOM 133 NE1 TRP A 7 -0.293 -5.633 1.941 1.00 0.00 N ATOM 134 CE2 TRP A 7 -1.100 -4.605 2.348 1.00 0.00 C ATOM 135 CE3 TRP A 7 -3.142 -3.537 1.642 1.00 0.00 C ATOM 136 CZ2 TRP A 7 -0.976 -3.740 3.434 1.00 0.00 C ATOM 137 CZ3 TRP A 7 -3.018 -2.682 2.716 1.00 0.00 C ATOM 138 CH2 TRP A 7 -1.942 -2.787 3.598 1.00 0.00 C ATOM 0 H TRP A 7 -0.735 -4.760 -1.342 1.00 0.00 H new ATOM 0 HA TRP A 7 -3.245 -5.053 -2.727 1.00 0.00 H new ATOM 0 HB2 TRP A 7 -3.871 -5.973 -0.419 1.00 0.00 H new ATOM 0 HB3 TRP A 7 -2.526 -6.786 -1.193 1.00 0.00 H new ATOM 0 HD1 TRP A 7 -0.406 -7.044 0.281 1.00 0.00 H new ATOM 0 HE1 TRP A 7 0.567 -5.929 2.402 1.00 0.00 H new ATOM 0 HE3 TRP A 7 -3.979 -3.447 0.965 1.00 0.00 H new ATOM 0 HZ2 TRP A 7 -0.147 -3.820 4.121 1.00 0.00 H new ATOM 0 HZ3 TRP A 7 -3.765 -1.919 2.877 1.00 0.00 H new ATOM 0 HH2 TRP A 7 -1.871 -2.100 4.428 1.00 0.00 H new ATOM 149 N TRP A 8 -2.806 -2.377 -1.199 1.00 0.00 N ATOM 150 CA TRP A 8 -3.370 -1.149 -0.662 1.00 0.00 C ATOM 151 C TRP A 8 -4.601 -0.667 -1.415 1.00 0.00 C ATOM 152 O TRP A 8 -5.415 -1.463 -1.885 1.00 0.00 O ATOM 153 CB TRP A 8 -2.297 -0.059 -0.621 1.00 0.00 C ATOM 154 CG TRP A 8 -1.434 0.014 -1.845 1.00 0.00 C ATOM 155 CD1 TRP A 8 -0.178 -0.490 -1.970 1.00 0.00 C ATOM 156 CD2 TRP A 8 -1.732 0.654 -3.092 1.00 0.00 C ATOM 157 NE1 TRP A 8 0.319 -0.228 -3.220 1.00 0.00 N ATOM 158 CE2 TRP A 8 -0.614 0.477 -3.928 1.00 0.00 C ATOM 159 CE3 TRP A 8 -2.833 1.352 -3.590 1.00 0.00 C ATOM 160 CZ2 TRP A 8 -0.566 0.972 -5.226 1.00 0.00 C ATOM 161 CZ3 TRP A 8 -2.784 1.846 -4.878 1.00 0.00 C ATOM 162 CH2 TRP A 8 -1.658 1.653 -5.682 1.00 0.00 C ATOM 0 H TRP A 8 -1.837 -2.293 -1.505 1.00 0.00 H new ATOM 0 HA TRP A 8 -3.708 -1.372 0.350 1.00 0.00 H new ATOM 0 HB2 TRP A 8 -2.783 0.906 -0.477 1.00 0.00 H new ATOM 0 HB3 TRP A 8 -1.660 -0.227 0.247 1.00 0.00 H new ATOM 0 HD1 TRP A 8 0.353 -1.022 -1.194 1.00 0.00 H new ATOM 0 HE1 TRP A 8 1.235 -0.513 -3.566 1.00 0.00 H new ATOM 0 HE3 TRP A 8 -3.709 1.503 -2.977 1.00 0.00 H new ATOM 0 HZ2 TRP A 8 0.303 0.823 -5.850 1.00 0.00 H new ATOM 0 HZ3 TRP A 8 -3.630 2.391 -5.271 1.00 0.00 H new ATOM 0 HH2 TRP A 8 -1.651 2.051 -6.686 1.00 0.00 H new ATOM 173 N ALA A 9 -4.735 0.654 -1.485 1.00 0.00 N ATOM 174 CA ALA A 9 -5.871 1.301 -2.138 1.00 0.00 C ATOM 175 C ALA A 9 -7.086 1.307 -1.217 1.00 0.00 C ATOM 176 O ALA A 9 -8.037 2.060 -1.431 1.00 0.00 O ATOM 177 CB ALA A 9 -6.205 0.634 -3.467 1.00 0.00 C ATOM 0 H ALA A 9 -4.059 1.308 -1.090 1.00 0.00 H new ATOM 0 HA ALA A 9 -5.590 2.333 -2.349 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -7.055 1.141 -3.925 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -5.344 0.696 -4.132 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -6.456 -0.413 -3.296 1.00 0.00 H new ATOM 183 N PHE A 10 -7.041 0.468 -0.184 1.00 0.00 N ATOM 184 CA PHE A 10 -8.126 0.375 0.781 1.00 0.00 C ATOM 185 C PHE A 10 -7.914 1.372 1.913 1.00 0.00 C ATOM 186 O PHE A 10 -8.801 2.162 2.240 1.00 0.00 O ATOM 187 CB PHE A 10 -8.203 -1.045 1.345 1.00 0.00 C ATOM 188 CG PHE A 10 -9.339 -1.259 2.306 1.00 0.00 C ATOM 189 CD1 PHE A 10 -10.632 -0.890 1.970 1.00 0.00 C ATOM 190 CD2 PHE A 10 -9.112 -1.833 3.547 1.00 0.00 C ATOM 191 CE1 PHE A 10 -11.676 -1.089 2.852 1.00 0.00 C ATOM 192 CE2 PHE A 10 -10.152 -2.034 4.434 1.00 0.00 C ATOM 193 CZ PHE A 10 -11.436 -1.661 4.087 1.00 0.00 C ATOM 0 H PHE A 10 -6.259 -0.159 0.004 1.00 0.00 H new ATOM 0 HA PHE A 10 -9.063 0.611 0.277 1.00 0.00 H new ATOM 0 HB2 PHE A 10 -8.302 -1.749 0.518 1.00 0.00 H new ATOM 0 HB3 PHE A 10 -7.265 -1.276 1.850 1.00 0.00 H new ATOM 0 HD1 PHE A 10 -10.826 -0.441 1.007 1.00 0.00 H new ATOM 0 HD2 PHE A 10 -8.110 -2.127 3.824 1.00 0.00 H new ATOM 0 HE1 PHE A 10 -12.679 -0.798 2.577 1.00 0.00 H new ATOM 0 HE2 PHE A 10 -9.961 -2.482 5.398 1.00 0.00 H new ATOM 0 HZ PHE A 10 -12.250 -1.816 4.779 1.00 0.00 H new ATOM 203 N LEU A 11 -6.725 1.328 2.501 1.00 0.00 N ATOM 204 CA LEU A 11 -6.373 2.223 3.594 1.00 0.00 C ATOM 205 C LEU A 11 -5.335 3.243 3.139 1.00 0.00 C ATOM 206 O LEU A 11 -5.347 4.397 3.569 1.00 0.00 O ATOM 207 CB LEU A 11 -5.859 1.417 4.796 1.00 0.00 C ATOM 208 CG LEU A 11 -4.670 0.482 4.529 1.00 0.00 C ATOM 209 CD1 LEU A 11 -3.359 1.254 4.517 1.00 0.00 C ATOM 210 CD2 LEU A 11 -4.625 -0.626 5.571 1.00 0.00 C ATOM 0 H LEU A 11 -5.985 0.678 2.237 1.00 0.00 H new ATOM 0 HA LEU A 11 -7.266 2.766 3.902 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -5.574 2.117 5.581 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -6.683 0.820 5.185 1.00 0.00 H new ATOM 0 HG LEU A 11 -4.806 0.033 3.545 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -2.534 0.567 4.326 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -3.390 2.011 3.734 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -3.212 1.737 5.483 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -3.777 -1.281 5.369 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -4.517 -0.188 6.563 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -5.548 -1.204 5.528 1.00 0.00 H new ATOM 222 N ARG A 12 -4.440 2.800 2.265 1.00 0.00 N ATOM 223 CA ARG A 12 -3.385 3.653 1.734 1.00 0.00 C ATOM 224 C ARG A 12 -3.962 4.776 0.873 1.00 0.00 C ATOM 225 O ARG A 12 -3.704 5.953 1.124 1.00 0.00 O ATOM 226 CB ARG A 12 -2.398 2.793 0.941 1.00 0.00 C ATOM 227 CG ARG A 12 -1.443 3.573 0.061 1.00 0.00 C ATOM 228 CD ARG A 12 -0.154 2.808 -0.174 1.00 0.00 C ATOM 229 NE ARG A 12 0.494 2.435 1.083 1.00 0.00 N ATOM 230 CZ ARG A 12 0.994 3.314 1.949 1.00 0.00 C ATOM 231 NH1 ARG A 12 0.945 4.613 1.686 1.00 0.00 N ATOM 232 NH2 ARG A 12 1.546 2.891 3.078 1.00 0.00 N ATOM 0 H ARG A 12 -4.425 1.845 1.906 1.00 0.00 H new ATOM 0 HA ARG A 12 -2.858 4.129 2.561 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -1.817 2.192 1.641 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -2.962 2.100 0.317 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -1.920 3.787 -0.895 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -1.218 4.532 0.527 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -0.365 1.910 -0.754 1.00 0.00 H new ATOM 0 HD3 ARG A 12 0.527 3.418 -0.767 1.00 0.00 H new ATOM 0 HE ARG A 12 0.567 1.443 1.309 1.00 0.00 H new ATOM 0 HH11 ARG A 12 0.523 4.942 0.818 1.00 0.00 H new ATOM 0 HH12 ARG A 12 1.329 5.283 2.352 1.00 0.00 H new ATOM 0 HH21 ARG A 12 1.587 1.893 3.283 1.00 0.00 H new ATOM 0 HH22 ARG A 12 1.929 3.564 3.742 1.00 0.00 H new