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 -5.000 -1.141 0.807 1.00 0.00 N ATOM 68 CA PHE A 4 -3.682 -0.751 0.315 1.00 0.00 C ATOM 69 C PHE A 4 -3.670 0.739 -0.009 1.00 0.00 C ATOM 70 O PHE A 4 -4.626 1.267 -0.577 1.00 0.00 O ATOM 71 CB PHE A 4 -3.300 -1.542 -0.937 1.00 0.00 C ATOM 72 CG PHE A 4 -3.754 -2.978 -0.930 1.00 0.00 C ATOM 73 CD1 PHE A 4 -5.035 -3.313 -1.338 1.00 0.00 C ATOM 74 CD2 PHE A 4 -2.902 -3.989 -0.516 1.00 0.00 C ATOM 75 CE1 PHE A 4 -5.457 -4.629 -1.335 1.00 0.00 C ATOM 76 CE2 PHE A 4 -3.319 -5.307 -0.510 1.00 0.00 C ATOM 77 CZ PHE A 4 -4.598 -5.628 -0.920 1.00 0.00 C ATOM 0 HA PHE A 4 -2.955 -0.968 1.097 1.00 0.00 H new ATOM 0 HB2 PHE A 4 -3.724 -1.044 -1.809 1.00 0.00 H new ATOM 0 HB3 PHE A 4 -2.216 -1.517 -1.051 1.00 0.00 H new ATOM 0 HD1 PHE A 4 -5.712 -2.536 -1.662 1.00 0.00 H new ATOM 0 HD2 PHE A 4 -1.900 -3.745 -0.194 1.00 0.00 H new ATOM 0 HE1 PHE A 4 -6.458 -4.876 -1.657 1.00 0.00 H new ATOM 0 HE2 PHE A 4 -2.645 -6.085 -0.185 1.00 0.00 H new ATOM 0 HZ PHE A 4 -4.926 -6.657 -0.916 1.00 0.00 H new ATOM 87 N PRO A 5 -2.584 1.439 0.349 1.00 0.00 N ATOM 88 CA PRO A 5 -2.454 2.868 0.095 1.00 0.00 C ATOM 89 C PRO A 5 -2.070 3.165 -1.355 1.00 0.00 C ATOM 90 O PRO A 5 -2.912 3.105 -2.252 1.00 0.00 O ATOM 91 CB PRO A 5 -1.356 3.300 1.069 1.00 0.00 C ATOM 92 CG PRO A 5 -0.519 2.083 1.283 1.00 0.00 C ATOM 93 CD PRO A 5 -1.398 0.884 1.024 1.00 0.00 C ATOM 0 HA PRO A 5 -3.391 3.405 0.241 1.00 0.00 H new ATOM 0 HB2 PRO A 5 -0.764 4.117 0.657 1.00 0.00 H new ATOM 0 HB3 PRO A 5 -1.781 3.656 2.008 1.00 0.00 H new ATOM 0 HG2 PRO A 5 0.339 2.083 0.611 1.00 0.00 H new ATOM 0 HG3 PRO A 5 -0.127 2.060 2.300 1.00 0.00 H new ATOM 0 HD2 PRO A 5 -0.893 0.148 0.398 1.00 0.00 H new ATOM 0 HD3 PRO A 5 -1.668 0.381 1.953 1.00 0.00 H new ATOM 101 N TRP A 6 -0.800 3.489 -1.576 1.00 0.00 N ATOM 102 CA TRP A 6 -0.300 3.802 -2.910 1.00 0.00 C ATOM 103 C TRP A 6 1.217 3.932 -2.874 1.00 0.00 C ATOM 104 O TRP A 6 1.917 3.510 -3.795 1.00 0.00 O ATOM 105 CB TRP A 6 -0.937 5.097 -3.417 1.00 0.00 C ATOM 106 CG TRP A 6 -0.738 6.256 -2.488 1.00 0.00 C ATOM 107 CD1 TRP A 6 -1.347 6.452 -1.281 1.00 0.00 C ATOM 108 CD2 TRP A 6 0.116 7.386 -2.695 1.00 0.00 C ATOM 109 NE1 TRP A 6 -0.916 7.630 -0.721 1.00 0.00 N ATOM 110 CE2 TRP A 6 -0.019 8.223 -1.571 1.00 0.00 C ATOM 111 CE3 TRP A 6 0.985 7.770 -3.720 1.00 0.00 C ATOM 112 CZ2 TRP A 6 0.682 9.420 -1.445 1.00 0.00 C ATOM 113 CZ3 TRP A 6 1.680 8.959 -3.595 1.00 0.00 C ATOM 114 CH2 TRP A 6 1.525 9.771 -2.464 1.00 0.00 C ATOM 0 H TRP A 6 -0.094 3.542 -0.842 1.00 0.00 H new ATOM 0 HA TRP A 6 -0.566 2.995 -3.593 1.00 0.00 H new ATOM 0 HB2 TRP A 6 -0.516 5.344 -4.391 1.00 0.00 H new ATOM 0 HB3 TRP A 6 -2.005 4.936 -3.563 1.00 0.00 H new ATOM 0 HD1 TRP A 6 -2.063 5.779 -0.833 1.00 0.00 H new ATOM 0 HE1 TRP A 6 -1.215 8.003 0.180 1.00 0.00 H new ATOM 0 HE3 TRP A 6 1.112 7.149 -4.594 1.00 0.00 H new ATOM 0 HZ2 TRP A 6 0.564 10.048 -0.575 1.00 0.00 H new ATOM 0 HZ3 TRP A 6 2.353 9.266 -4.382 1.00 0.00 H new ATOM 0 HH2 TRP A 6 2.083 10.693 -2.395 1.00 0.00 H new ATOM 125 N TRP A 7 1.707 4.514 -1.788 1.00 0.00 N ATOM 126 CA TRP A 7 3.135 4.714 -1.578 1.00 0.00 C ATOM 127 C TRP A 7 3.825 3.412 -1.189 1.00 0.00 C ATOM 128 O TRP A 7 5.023 3.405 -0.903 1.00 0.00 O ATOM 129 CB TRP A 7 3.341 5.748 -0.465 1.00 0.00 C ATOM 130 CG TRP A 7 2.555 5.441 0.784 1.00 0.00 C ATOM 131 CD1 TRP A 7 1.519 6.170 1.294 1.00 0.00 C ATOM 132 CD2 TRP A 7 2.741 4.334 1.685 1.00 0.00 C ATOM 133 NE1 TRP A 7 1.041 5.580 2.440 1.00 0.00 N ATOM 134 CE2 TRP A 7 1.776 4.454 2.701 1.00 0.00 C ATOM 135 CE3 TRP A 7 3.623 3.252 1.730 1.00 0.00 C ATOM 136 CZ2 TRP A 7 1.673 3.533 3.744 1.00 0.00 C ATOM 137 CZ3 TRP A 7 3.520 2.342 2.758 1.00 0.00 C ATOM 138 CH2 TRP A 7 2.553 2.485 3.752 1.00 0.00 C ATOM 0 H TRP A 7 1.125 4.862 -1.026 1.00 0.00 H new ATOM 0 HA TRP A 7 3.573 5.068 -2.511 1.00 0.00 H new ATOM 0 HB2 TRP A 7 4.401 5.798 -0.216 1.00 0.00 H new ATOM 0 HB3 TRP A 7 3.053 6.732 -0.835 1.00 0.00 H new ATOM 0 HD1 TRP A 7 1.131 7.079 0.859 1.00 0.00 H new ATOM 0 HE1 TRP A 7 0.265 5.925 3.005 1.00 0.00 H new ATOM 0 HE3 TRP A 7 4.377 3.131 0.967 1.00 0.00 H new ATOM 0 HZ2 TRP A 7 0.926 3.643 4.517 1.00 0.00 H new ATOM 0 HZ3 TRP A 7 4.200 1.503 2.795 1.00 0.00 H new ATOM 0 HH2 TRP A 7 2.497 1.754 4.545 1.00 0.00 H new ATOM 149 N TRP A 8 3.059 2.322 -1.131 1.00 0.00 N ATOM 150 CA TRP A 8 3.593 1.032 -0.721 1.00 0.00 C ATOM 151 C TRP A 8 4.708 0.536 -1.631 1.00 0.00 C ATOM 152 O TRP A 8 5.534 1.317 -2.103 1.00 0.00 O ATOM 153 CB TRP A 8 2.463 0.003 -0.609 1.00 0.00 C ATOM 154 CG TRP A 8 1.480 0.037 -1.737 1.00 0.00 C ATOM 155 CD1 TRP A 8 0.307 0.724 -1.753 1.00 0.00 C ATOM 156 CD2 TRP A 8 1.548 -0.669 -2.984 1.00 0.00 C ATOM 157 NE1 TRP A 8 -0.351 0.516 -2.937 1.00 0.00 N ATOM 158 CE2 TRP A 8 0.388 -0.338 -3.709 1.00 0.00 C ATOM 159 CE3 TRP A 8 2.476 -1.538 -3.564 1.00 0.00 C ATOM 160 CZ2 TRP A 8 0.131 -0.847 -4.978 1.00 0.00 C ATOM 161 CZ3 TRP A 8 2.218 -2.044 -4.823 1.00 0.00 C ATOM 162 CH2 TRP A 8 1.055 -1.697 -5.517 1.00 0.00 C ATOM 0 H TRP A 8 2.066 2.312 -1.364 1.00 0.00 H new ATOM 0 HA TRP A 8 4.046 1.167 0.261 1.00 0.00 H new ATOM 0 HB2 TRP A 8 2.900 -0.994 -0.555 1.00 0.00 H new ATOM 0 HB3 TRP A 8 1.929 0.168 0.327 1.00 0.00 H new ATOM 0 HD1 TRP A 8 -0.055 1.345 -0.947 1.00 0.00 H new ATOM 0 HE1 TRP A 8 -1.245 0.930 -3.200 1.00 0.00 H new ATOM 0 HE3 TRP A 8 3.379 -1.809 -3.037 1.00 0.00 H new ATOM 0 HZ2 TRP A 8 -0.766 -0.580 -5.517 1.00 0.00 H new ATOM 0 HZ3 TRP A 8 2.927 -2.719 -5.279 1.00 0.00 H new ATOM 0 HH2 TRP A 8 0.883 -2.110 -6.500 1.00 0.00 H new ATOM 173 N ALA A 9 4.753 -0.772 -1.833 1.00 0.00 N ATOM 174 CA ALA A 9 5.794 -1.382 -2.639 1.00 0.00 C ATOM 175 C ALA A 9 7.133 -1.219 -1.930 1.00 0.00 C ATOM 176 O ALA A 9 8.177 -1.039 -2.557 1.00 0.00 O ATOM 177 CB ALA A 9 5.836 -0.776 -4.036 1.00 0.00 C ATOM 0 H ALA A 9 4.077 -1.432 -1.447 1.00 0.00 H new ATOM 0 HA ALA A 9 5.577 -2.444 -2.758 1.00 0.00 H new ATOM 0 HB1 ALA A 9 6.626 -1.253 -4.616 1.00 0.00 H new ATOM 0 HB2 ALA A 9 4.877 -0.934 -4.530 1.00 0.00 H new ATOM 0 HB3 ALA A 9 6.035 0.293 -3.963 1.00 0.00 H new ATOM 183 N PHE A 10 7.070 -1.284 -0.602 1.00 0.00 N ATOM 184 CA PHE A 10 8.242 -1.147 0.253 1.00 0.00 C ATOM 185 C PHE A 10 8.087 -2.048 1.471 1.00 0.00 C ATOM 186 O PHE A 10 8.951 -2.874 1.768 1.00 0.00 O ATOM 187 CB PHE A 10 8.400 0.310 0.703 1.00 0.00 C ATOM 188 CG PHE A 10 9.606 0.552 1.570 1.00 0.00 C ATOM 189 CD1 PHE A 10 10.867 0.146 1.159 1.00 0.00 C ATOM 190 CD2 PHE A 10 9.478 1.185 2.797 1.00 0.00 C ATOM 191 CE1 PHE A 10 11.976 0.367 1.954 1.00 0.00 C ATOM 192 CE2 PHE A 10 10.584 1.408 3.596 1.00 0.00 C ATOM 193 CZ PHE A 10 11.834 0.999 3.174 1.00 0.00 C ATOM 0 H PHE A 10 6.201 -1.434 -0.089 1.00 0.00 H new ATOM 0 HA PHE A 10 9.130 -1.440 -0.307 1.00 0.00 H new ATOM 0 HB2 PHE A 10 8.465 0.948 -0.179 1.00 0.00 H new ATOM 0 HB3 PHE A 10 7.506 0.611 1.249 1.00 0.00 H new ATOM 0 HD1 PHE A 10 10.984 -0.349 0.206 1.00 0.00 H new ATOM 0 HD2 PHE A 10 8.503 1.507 3.132 1.00 0.00 H new ATOM 0 HE1 PHE A 10 12.952 0.046 1.622 1.00 0.00 H new ATOM 0 HE2 PHE A 10 10.471 1.902 4.550 1.00 0.00 H new ATOM 0 HZ PHE A 10 12.699 1.173 3.797 1.00 0.00 H new ATOM 203 N LEU A 11 6.957 -1.894 2.152 1.00 0.00 N ATOM 204 CA LEU A 11 6.640 -2.699 3.322 1.00 0.00 C ATOM 205 C LEU A 11 5.446 -3.590 3.013 1.00 0.00 C ATOM 206 O LEU A 11 5.339 -4.712 3.508 1.00 0.00 O ATOM 207 CB LEU A 11 6.359 -1.803 4.537 1.00 0.00 C ATOM 208 CG LEU A 11 5.259 -0.747 4.359 1.00 0.00 C ATOM 209 CD1 LEU A 11 3.877 -1.364 4.527 1.00 0.00 C ATOM 210 CD2 LEU A 11 5.458 0.393 5.345 1.00 0.00 C ATOM 0 H LEU A 11 6.239 -1.211 1.909 1.00 0.00 H new ATOM 0 HA LEU A 11 7.496 -3.328 3.568 1.00 0.00 H new ATOM 0 HB2 LEU A 11 6.089 -2.441 5.378 1.00 0.00 H new ATOM 0 HB3 LEU A 11 7.283 -1.293 4.808 1.00 0.00 H new ATOM 0 HG LEU A 11 5.329 -0.350 3.346 1.00 0.00 H new ATOM 0 HD11 LEU A 11 3.116 -0.594 4.396 1.00 0.00 H new ATOM 0 HD12 LEU A 11 3.734 -2.146 3.781 1.00 0.00 H new ATOM 0 HD13 LEU A 11 3.789 -1.794 5.525 1.00 0.00 H new ATOM 0 HD21 LEU A 11 4.671 1.134 5.208 1.00 0.00 H new ATOM 0 HD22 LEU A 11 5.417 0.005 6.363 1.00 0.00 H new ATOM 0 HD23 LEU A 11 6.429 0.858 5.173 1.00 0.00 H new ATOM 222 N ARG A 12 4.555 -3.068 2.178 1.00 0.00 N ATOM 223 CA ARG A 12 3.358 -3.784 1.767 1.00 0.00 C ATOM 224 C ARG A 12 3.702 -4.916 0.803 1.00 0.00 C ATOM 225 O ARG A 12 3.395 -6.080 1.062 1.00 0.00 O ATOM 226 CB ARG A 12 2.380 -2.798 1.123 1.00 0.00 C ATOM 227 CG ARG A 12 1.307 -3.440 0.267 1.00 0.00 C ATOM 228 CD ARG A 12 0.106 -2.525 0.111 1.00 0.00 C ATOM 229 NE ARG A 12 -0.411 -2.084 1.406 1.00 0.00 N ATOM 230 CZ ARG A 12 -0.953 -2.900 2.307 1.00 0.00 C ATOM 231 NH1 ARG A 12 -1.080 -4.195 2.048 1.00 0.00 N ATOM 232 NH2 ARG A 12 -1.371 -2.418 3.470 1.00 0.00 N ATOM 0 H ARG A 12 4.644 -2.138 1.769 1.00 0.00 H new ATOM 0 HA ARG A 12 2.891 -4.234 2.644 1.00 0.00 H new ATOM 0 HB2 ARG A 12 1.899 -2.218 1.910 1.00 0.00 H new ATOM 0 HB3 ARG A 12 2.944 -2.096 0.509 1.00 0.00 H new ATOM 0 HG2 ARG A 12 1.716 -3.678 -0.715 1.00 0.00 H new ATOM 0 HG3 ARG A 12 0.994 -4.381 0.718 1.00 0.00 H new ATOM 0 HD2 ARG A 12 0.386 -1.656 -0.484 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -0.680 -3.046 -0.436 1.00 0.00 H new ATOM 0 HE ARG A 12 -0.353 -1.091 1.632 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -0.761 -4.570 1.155 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -1.496 -4.816 2.742 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -1.277 -1.423 3.673 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -1.787 -3.043 4.161 1.00 0.00 H new