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 -4.791 -1.421 0.016 1.00 0.00 N ATOM 68 CA PHE A 4 -3.471 -0.894 -0.316 1.00 0.00 C ATOM 69 C PHE A 4 -3.520 0.617 -0.515 1.00 0.00 C ATOM 70 O PHE A 4 -4.475 1.154 -1.076 1.00 0.00 O ATOM 71 CB PHE A 4 -2.906 -1.585 -1.561 1.00 0.00 C ATOM 72 CG PHE A 4 -3.744 -1.423 -2.802 1.00 0.00 C ATOM 73 CD1 PHE A 4 -3.714 -0.244 -3.532 1.00 0.00 C ATOM 74 CD2 PHE A 4 -4.560 -2.455 -3.239 1.00 0.00 C ATOM 75 CE1 PHE A 4 -4.482 -0.098 -4.672 1.00 0.00 C ATOM 76 CE2 PHE A 4 -5.330 -2.314 -4.378 1.00 0.00 C ATOM 77 CZ PHE A 4 -5.290 -1.134 -5.096 1.00 0.00 C ATOM 0 HA PHE A 4 -2.806 -1.103 0.522 1.00 0.00 H new ATOM 0 HB2 PHE A 4 -1.909 -1.192 -1.758 1.00 0.00 H new ATOM 0 HB3 PHE A 4 -2.793 -2.649 -1.351 1.00 0.00 H new ATOM 0 HD1 PHE A 4 -3.083 0.570 -3.206 1.00 0.00 H new ATOM 0 HD2 PHE A 4 -4.594 -3.380 -2.683 1.00 0.00 H new ATOM 0 HE1 PHE A 4 -4.450 0.826 -5.231 1.00 0.00 H new ATOM 0 HE2 PHE A 4 -5.962 -3.125 -4.707 1.00 0.00 H new ATOM 0 HZ PHE A 4 -5.890 -1.022 -5.987 1.00 0.00 H new ATOM 87 N PRO A 5 -2.484 1.323 -0.037 1.00 0.00 N ATOM 88 CA PRO A 5 -2.398 2.776 -0.143 1.00 0.00 C ATOM 89 C PRO A 5 -1.910 3.237 -1.517 1.00 0.00 C ATOM 90 O PRO A 5 -2.632 3.136 -2.510 1.00 0.00 O ATOM 91 CB PRO A 5 -1.396 3.138 0.955 1.00 0.00 C ATOM 92 CG PRO A 5 -0.500 1.950 1.066 1.00 0.00 C ATOM 93 CD PRO A 5 -1.316 0.748 0.658 1.00 0.00 C ATOM 0 HA PRO A 5 -3.368 3.261 -0.028 1.00 0.00 H new ATOM 0 HB2 PRO A 5 -0.833 4.034 0.696 1.00 0.00 H new ATOM 0 HB3 PRO A 5 -1.901 3.341 1.899 1.00 0.00 H new ATOM 0 HG2 PRO A 5 0.372 2.062 0.422 1.00 0.00 H new ATOM 0 HG3 PRO A 5 -0.131 1.838 2.085 1.00 0.00 H new ATOM 0 HD2 PRO A 5 -0.749 0.085 0.004 1.00 0.00 H new ATOM 0 HD3 PRO A 5 -1.618 0.159 1.524 1.00 0.00 H new ATOM 101 N TRP A 6 -0.685 3.748 -1.562 1.00 0.00 N ATOM 102 CA TRP A 6 -0.086 4.235 -2.798 1.00 0.00 C ATOM 103 C TRP A 6 1.419 4.388 -2.616 1.00 0.00 C ATOM 104 O TRP A 6 2.204 4.104 -3.521 1.00 0.00 O ATOM 105 CB TRP A 6 -0.719 5.570 -3.195 1.00 0.00 C ATOM 106 CG TRP A 6 -0.686 6.591 -2.098 1.00 0.00 C ATOM 107 CD1 TRP A 6 -1.424 6.582 -0.949 1.00 0.00 C ATOM 108 CD2 TRP A 6 0.114 7.777 -2.053 1.00 0.00 C ATOM 109 NE1 TRP A 6 -1.125 7.686 -0.188 1.00 0.00 N ATOM 110 CE2 TRP A 6 -0.185 8.436 -0.845 1.00 0.00 C ATOM 111 CE3 TRP A 6 1.056 8.345 -2.914 1.00 0.00 C ATOM 112 CZ2 TRP A 6 0.424 9.634 -0.480 1.00 0.00 C ATOM 113 CZ3 TRP A 6 1.660 9.534 -2.551 1.00 0.00 C ATOM 114 CH2 TRP A 6 1.342 10.167 -1.343 1.00 0.00 C ATOM 0 H TRP A 6 -0.081 3.836 -0.745 1.00 0.00 H new ATOM 0 HA TRP A 6 -0.270 3.515 -3.596 1.00 0.00 H new ATOM 0 HB2 TRP A 6 -0.198 5.966 -4.067 1.00 0.00 H new ATOM 0 HB3 TRP A 6 -1.754 5.399 -3.492 1.00 0.00 H new ATOM 0 HD1 TRP A 6 -2.138 5.819 -0.678 1.00 0.00 H new ATOM 0 HE1 TRP A 6 -1.536 7.911 0.718 1.00 0.00 H new ATOM 0 HE3 TRP A 6 1.308 7.863 -3.847 1.00 0.00 H new ATOM 0 HZ2 TRP A 6 0.180 10.125 0.451 1.00 0.00 H new ATOM 0 HZ3 TRP A 6 2.389 9.982 -3.210 1.00 0.00 H new ATOM 0 HH2 TRP A 6 1.832 11.095 -1.087 1.00 0.00 H new ATOM 125 N TRP A 7 1.803 4.827 -1.425 1.00 0.00 N ATOM 126 CA TRP A 7 3.203 5.018 -1.071 1.00 0.00 C ATOM 127 C TRP A 7 3.891 3.685 -0.791 1.00 0.00 C ATOM 128 O TRP A 7 5.057 3.659 -0.398 1.00 0.00 O ATOM 129 CB TRP A 7 3.291 5.904 0.181 1.00 0.00 C ATOM 130 CG TRP A 7 2.420 5.418 1.314 1.00 0.00 C ATOM 131 CD1 TRP A 7 1.324 6.051 1.831 1.00 0.00 C ATOM 132 CD2 TRP A 7 2.572 4.205 2.072 1.00 0.00 C ATOM 133 NE1 TRP A 7 0.777 5.299 2.845 1.00 0.00 N ATOM 134 CE2 TRP A 7 1.526 4.163 3.012 1.00 0.00 C ATOM 135 CE3 TRP A 7 3.484 3.148 2.043 1.00 0.00 C ATOM 136 CZ2 TRP A 7 1.375 3.104 3.907 1.00 0.00 C ATOM 137 CZ3 TRP A 7 3.332 2.104 2.926 1.00 0.00 C ATOM 138 CH2 TRP A 7 2.286 2.086 3.845 1.00 0.00 C ATOM 0 H TRP A 7 1.151 5.061 -0.676 1.00 0.00 H new ATOM 0 HA TRP A 7 3.707 5.494 -1.912 1.00 0.00 H new ATOM 0 HB2 TRP A 7 4.327 5.944 0.518 1.00 0.00 H new ATOM 0 HB3 TRP A 7 3.002 6.922 -0.081 1.00 0.00 H new ATOM 0 HD1 TRP A 7 0.943 7.003 1.493 1.00 0.00 H new ATOM 0 HE1 TRP A 7 -0.052 5.547 3.385 1.00 0.00 H new ATOM 0 HE3 TRP A 7 4.300 3.150 1.335 1.00 0.00 H new ATOM 0 HZ2 TRP A 7 0.567 3.088 4.624 1.00 0.00 H new ATOM 0 HZ3 TRP A 7 4.036 1.285 2.906 1.00 0.00 H new ATOM 0 HH2 TRP A 7 2.192 1.251 4.523 1.00 0.00 H new ATOM 149 N TRP A 8 3.149 2.583 -0.943 1.00 0.00 N ATOM 150 CA TRP A 8 3.674 1.256 -0.652 1.00 0.00 C ATOM 151 C TRP A 8 4.910 0.899 -1.469 1.00 0.00 C ATOM 152 O TRP A 8 5.778 1.739 -1.708 1.00 0.00 O ATOM 153 CB TRP A 8 2.584 0.208 -0.825 1.00 0.00 C ATOM 154 CG TRP A 8 1.704 0.393 -2.011 1.00 0.00 C ATOM 155 CD1 TRP A 8 0.554 1.111 -2.051 1.00 0.00 C ATOM 156 CD2 TRP A 8 1.854 -0.203 -3.299 1.00 0.00 C ATOM 157 NE1 TRP A 8 -0.011 1.033 -3.297 1.00 0.00 N ATOM 158 CE2 TRP A 8 0.766 0.226 -4.081 1.00 0.00 C ATOM 159 CE3 TRP A 8 2.806 -1.047 -3.873 1.00 0.00 C ATOM 160 CZ2 TRP A 8 0.603 -0.163 -5.400 1.00 0.00 C ATOM 161 CZ3 TRP A 8 2.640 -1.435 -5.184 1.00 0.00 C ATOM 162 CH2 TRP A 8 1.546 -0.993 -5.932 1.00 0.00 C ATOM 0 H TRP A 8 2.182 2.590 -1.267 1.00 0.00 H new ATOM 0 HA TRP A 8 3.999 1.270 0.388 1.00 0.00 H new ATOM 0 HB2 TRP A 8 3.054 -0.773 -0.892 1.00 0.00 H new ATOM 0 HB3 TRP A 8 1.962 0.203 0.070 1.00 0.00 H new ATOM 0 HD1 TRP A 8 0.143 1.665 -1.220 1.00 0.00 H new ATOM 0 HE1 TRP A 8 -0.869 1.500 -3.591 1.00 0.00 H new ATOM 0 HE3 TRP A 8 3.656 -1.389 -3.301 1.00 0.00 H new ATOM 0 HZ2 TRP A 8 -0.238 0.178 -5.985 1.00 0.00 H new ATOM 0 HZ3 TRP A 8 3.366 -2.091 -5.641 1.00 0.00 H new ATOM 0 HH2 TRP A 8 1.444 -1.317 -6.957 1.00 0.00 H new ATOM 173 N ALA A 9 5.001 -0.367 -1.857 1.00 0.00 N ATOM 174 CA ALA A 9 6.144 -0.863 -2.604 1.00 0.00 C ATOM 175 C ALA A 9 7.376 -0.878 -1.704 1.00 0.00 C ATOM 176 O ALA A 9 8.478 -0.521 -2.122 1.00 0.00 O ATOM 177 CB ALA A 9 6.391 -0.028 -3.854 1.00 0.00 C ATOM 0 H ALA A 9 4.289 -1.072 -1.663 1.00 0.00 H new ATOM 0 HA ALA A 9 5.933 -1.881 -2.932 1.00 0.00 H new ATOM 0 HB1 ALA A 9 7.253 -0.424 -4.392 1.00 0.00 H new ATOM 0 HB2 ALA A 9 5.512 -0.068 -4.498 1.00 0.00 H new ATOM 0 HB3 ALA A 9 6.585 1.006 -3.568 1.00 0.00 H new ATOM 183 N PHE A 10 7.164 -1.296 -0.458 1.00 0.00 N ATOM 184 CA PHE A 10 8.228 -1.368 0.538 1.00 0.00 C ATOM 185 C PHE A 10 7.883 -2.412 1.595 1.00 0.00 C ATOM 186 O PHE A 10 8.589 -3.407 1.760 1.00 0.00 O ATOM 187 CB PHE A 10 8.420 -0.001 1.203 1.00 0.00 C ATOM 188 CG PHE A 10 9.503 0.020 2.246 1.00 0.00 C ATOM 189 CD1 PHE A 10 10.758 -0.504 1.977 1.00 0.00 C ATOM 190 CD2 PHE A 10 9.265 0.567 3.497 1.00 0.00 C ATOM 191 CE1 PHE A 10 11.753 -0.484 2.936 1.00 0.00 C ATOM 192 CE2 PHE A 10 10.256 0.590 4.460 1.00 0.00 C ATOM 193 CZ PHE A 10 11.501 0.063 4.179 1.00 0.00 C ATOM 0 H PHE A 10 6.252 -1.593 -0.112 1.00 0.00 H new ATOM 0 HA PHE A 10 9.155 -1.655 0.042 1.00 0.00 H new ATOM 0 HB2 PHE A 10 8.654 0.736 0.435 1.00 0.00 H new ATOM 0 HB3 PHE A 10 7.480 0.304 1.663 1.00 0.00 H new ATOM 0 HD1 PHE A 10 10.961 -0.933 1.007 1.00 0.00 H new ATOM 0 HD2 PHE A 10 8.293 0.980 3.722 1.00 0.00 H new ATOM 0 HE1 PHE A 10 12.726 -0.896 2.714 1.00 0.00 H new ATOM 0 HE2 PHE A 10 10.057 1.019 5.431 1.00 0.00 H new ATOM 0 HZ PHE A 10 12.277 0.079 4.930 1.00 0.00 H new ATOM 203 N LEU A 11 6.774 -2.184 2.291 1.00 0.00 N ATOM 204 CA LEU A 11 6.300 -3.105 3.316 1.00 0.00 C ATOM 205 C LEU A 11 5.073 -3.848 2.814 1.00 0.00 C ATOM 206 O LEU A 11 4.724 -4.920 3.310 1.00 0.00 O ATOM 207 CB LEU A 11 5.977 -2.358 4.618 1.00 0.00 C ATOM 208 CG LEU A 11 5.036 -1.149 4.491 1.00 0.00 C ATOM 209 CD1 LEU A 11 3.599 -1.595 4.267 1.00 0.00 C ATOM 210 CD2 LEU A 11 5.133 -0.274 5.731 1.00 0.00 C ATOM 0 H LEU A 11 6.183 -1.363 2.162 1.00 0.00 H new ATOM 0 HA LEU A 11 7.091 -3.824 3.528 1.00 0.00 H new ATOM 0 HB2 LEU A 11 5.533 -3.066 5.318 1.00 0.00 H new ATOM 0 HB3 LEU A 11 6.914 -2.018 5.060 1.00 0.00 H new ATOM 0 HG LEU A 11 5.346 -0.566 3.624 1.00 0.00 H new ATOM 0 HD11 LEU A 11 2.956 -0.719 4.181 1.00 0.00 H new ATOM 0 HD12 LEU A 11 3.539 -2.181 3.350 1.00 0.00 H new ATOM 0 HD13 LEU A 11 3.272 -2.204 5.109 1.00 0.00 H new ATOM 0 HD21 LEU A 11 4.462 0.579 5.628 1.00 0.00 H new ATOM 0 HD22 LEU A 11 4.850 -0.855 6.609 1.00 0.00 H new ATOM 0 HD23 LEU A 11 6.157 0.082 5.846 1.00 0.00 H new ATOM 222 N ARG A 12 4.421 -3.248 1.829 1.00 0.00 N ATOM 223 CA ARG A 12 3.220 -3.802 1.234 1.00 0.00 C ATOM 224 C ARG A 12 3.474 -5.194 0.663 1.00 0.00 C ATOM 225 O ARG A 12 3.063 -6.199 1.244 1.00 0.00 O ATOM 226 CB ARG A 12 2.751 -2.857 0.134 1.00 0.00 C ATOM 227 CG ARG A 12 1.454 -3.256 -0.539 1.00 0.00 C ATOM 228 CD ARG A 12 0.377 -2.190 -0.400 1.00 0.00 C ATOM 229 NE ARG A 12 -0.134 -2.058 0.976 1.00 0.00 N ATOM 230 CZ ARG A 12 0.499 -1.487 2.007 1.00 0.00 C ATOM 231 NH1 ARG A 12 1.658 -0.872 1.851 1.00 0.00 N ATOM 232 NH2 ARG A 12 -0.063 -1.508 3.208 1.00 0.00 N ATOM 0 H ARG A 12 4.713 -2.360 1.421 1.00 0.00 H new ATOM 0 HA ARG A 12 2.452 -3.902 2.001 1.00 0.00 H new ATOM 0 HB2 ARG A 12 2.632 -1.860 0.558 1.00 0.00 H new ATOM 0 HB3 ARG A 12 3.531 -2.790 -0.624 1.00 0.00 H new ATOM 0 HG2 ARG A 12 1.640 -3.445 -1.596 1.00 0.00 H new ATOM 0 HG3 ARG A 12 1.095 -4.190 -0.106 1.00 0.00 H new ATOM 0 HD2 ARG A 12 0.780 -1.231 -0.725 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -0.451 -2.430 -1.067 1.00 0.00 H new ATOM 0 HE ARG A 12 -1.062 -2.440 1.160 1.00 0.00 H new ATOM 0 HH11 ARG A 12 2.090 -0.825 0.928 1.00 0.00 H new ATOM 0 HH12 ARG A 12 2.121 -0.444 2.653 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -0.970 -1.957 3.339 1.00 0.00 H new ATOM 0 HH22 ARG A 12 0.411 -1.076 4.001 1.00 0.00 H new