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 5.076 0.721 0.039 1.00 0.00 N ATOM 68 CA PHE A 4 3.697 0.357 -0.263 1.00 0.00 C ATOM 69 C PHE A 4 3.584 -1.139 -0.533 1.00 0.00 C ATOM 70 O PHE A 4 4.457 -1.735 -1.164 1.00 0.00 O ATOM 71 CB PHE A 4 3.171 1.156 -1.459 1.00 0.00 C ATOM 72 CG PHE A 4 3.925 0.923 -2.742 1.00 0.00 C ATOM 73 CD1 PHE A 4 3.673 -0.195 -3.525 1.00 0.00 C ATOM 74 CD2 PHE A 4 4.890 1.824 -3.163 1.00 0.00 C ATOM 75 CE1 PHE A 4 4.368 -0.407 -4.701 1.00 0.00 C ATOM 76 CE2 PHE A 4 5.588 1.617 -4.339 1.00 0.00 C ATOM 77 CZ PHE A 4 5.327 0.500 -5.108 1.00 0.00 C ATOM 0 HA PHE A 4 3.086 0.600 0.606 1.00 0.00 H new ATOM 0 HB2 PHE A 4 2.123 0.903 -1.617 1.00 0.00 H new ATOM 0 HB3 PHE A 4 3.210 2.218 -1.217 1.00 0.00 H new ATOM 0 HD1 PHE A 4 2.925 -0.908 -3.212 1.00 0.00 H new ATOM 0 HD2 PHE A 4 5.100 2.699 -2.565 1.00 0.00 H new ATOM 0 HE1 PHE A 4 4.161 -1.281 -5.301 1.00 0.00 H new ATOM 0 HE2 PHE A 4 6.336 2.328 -4.656 1.00 0.00 H new ATOM 0 HZ PHE A 4 5.872 0.336 -6.026 1.00 0.00 H new ATOM 87 N PRO A 5 2.503 -1.767 -0.050 1.00 0.00 N ATOM 88 CA PRO A 5 2.276 -3.196 -0.236 1.00 0.00 C ATOM 89 C PRO A 5 1.744 -3.519 -1.633 1.00 0.00 C ATOM 90 O PRO A 5 2.507 -3.578 -2.597 1.00 0.00 O ATOM 91 CB PRO A 5 1.248 -3.530 0.847 1.00 0.00 C ATOM 92 CG PRO A 5 0.496 -2.262 1.081 1.00 0.00 C ATOM 93 CD PRO A 5 1.421 -1.126 0.718 1.00 0.00 C ATOM 0 HA PRO A 5 3.193 -3.780 -0.153 1.00 0.00 H new ATOM 0 HB2 PRO A 5 0.581 -4.329 0.523 1.00 0.00 H new ATOM 0 HB3 PRO A 5 1.735 -3.872 1.760 1.00 0.00 H new ATOM 0 HG2 PRO A 5 -0.408 -2.232 0.473 1.00 0.00 H new ATOM 0 HG3 PRO A 5 0.183 -2.186 2.122 1.00 0.00 H new ATOM 0 HD2 PRO A 5 0.907 -0.369 0.125 1.00 0.00 H new ATOM 0 HD3 PRO A 5 1.806 -0.627 1.607 1.00 0.00 H new ATOM 101 N TRP A 6 0.434 -3.729 -1.731 1.00 0.00 N ATOM 102 CA TRP A 6 -0.208 -4.050 -3.001 1.00 0.00 C ATOM 103 C TRP A 6 -1.721 -4.070 -2.822 1.00 0.00 C ATOM 104 O TRP A 6 -2.474 -3.633 -3.692 1.00 0.00 O ATOM 105 CB TRP A 6 0.289 -5.401 -3.518 1.00 0.00 C ATOM 106 CG TRP A 6 0.098 -6.519 -2.538 1.00 0.00 C ATOM 107 CD1 TRP A 6 0.810 -6.735 -1.393 1.00 0.00 C ATOM 108 CD2 TRP A 6 -0.857 -7.584 -2.624 1.00 0.00 C ATOM 109 NE1 TRP A 6 0.351 -7.863 -0.757 1.00 0.00 N ATOM 110 CE2 TRP A 6 -0.671 -8.403 -1.494 1.00 0.00 C ATOM 111 CE3 TRP A 6 -1.854 -7.922 -3.544 1.00 0.00 C ATOM 112 CZ2 TRP A 6 -1.444 -9.538 -1.261 1.00 0.00 C ATOM 113 CZ3 TRP A 6 -2.620 -9.049 -3.312 1.00 0.00 C ATOM 114 CH2 TRP A 6 -2.412 -9.845 -2.179 1.00 0.00 C ATOM 0 H TRP A 6 -0.207 -3.682 -0.939 1.00 0.00 H new ATOM 0 HA TRP A 6 0.049 -3.286 -3.735 1.00 0.00 H new ATOM 0 HB2 TRP A 6 -0.236 -5.644 -4.442 1.00 0.00 H new ATOM 0 HB3 TRP A 6 1.348 -5.320 -3.765 1.00 0.00 H new ATOM 0 HD1 TRP A 6 1.617 -6.110 -1.039 1.00 0.00 H new ATOM 0 HE1 TRP A 6 0.712 -8.238 0.120 1.00 0.00 H new ATOM 0 HE3 TRP A 6 -2.023 -7.314 -4.420 1.00 0.00 H new ATOM 0 HZ2 TRP A 6 -1.285 -10.153 -0.388 1.00 0.00 H new ATOM 0 HZ3 TRP A 6 -3.392 -9.320 -4.017 1.00 0.00 H new ATOM 0 HH2 TRP A 6 -3.028 -10.719 -2.026 1.00 0.00 H new ATOM 125 N TRP A 7 -2.145 -4.578 -1.673 1.00 0.00 N ATOM 126 CA TRP A 7 -3.558 -4.666 -1.327 1.00 0.00 C ATOM 127 C TRP A 7 -4.111 -3.308 -0.908 1.00 0.00 C ATOM 128 O TRP A 7 -5.267 -3.208 -0.498 1.00 0.00 O ATOM 129 CB TRP A 7 -3.732 -5.662 -0.174 1.00 0.00 C ATOM 130 CG TRP A 7 -2.803 -5.396 0.980 1.00 0.00 C ATOM 131 CD1 TRP A 7 -1.770 -6.186 1.395 1.00 0.00 C ATOM 132 CD2 TRP A 7 -2.821 -4.266 1.870 1.00 0.00 C ATOM 133 NE1 TRP A 7 -1.135 -5.612 2.471 1.00 0.00 N ATOM 134 CE2 TRP A 7 -1.764 -4.435 2.783 1.00 0.00 C ATOM 135 CE3 TRP A 7 -3.622 -3.127 1.981 1.00 0.00 C ATOM 136 CZ2 TRP A 7 -1.493 -3.507 3.787 1.00 0.00 C ATOM 137 CZ3 TRP A 7 -3.353 -2.211 2.972 1.00 0.00 C ATOM 138 CH2 TRP A 7 -2.298 -2.402 3.863 1.00 0.00 C ATOM 0 H TRP A 7 -1.519 -4.941 -0.954 1.00 0.00 H new ATOM 0 HA TRP A 7 -4.108 -5.002 -2.206 1.00 0.00 H new ATOM 0 HB2 TRP A 7 -4.762 -5.623 0.180 1.00 0.00 H new ATOM 0 HB3 TRP A 7 -3.561 -6.672 -0.545 1.00 0.00 H new ATOM 0 HD1 TRP A 7 -1.492 -7.127 0.943 1.00 0.00 H new ATOM 0 HE1 TRP A 7 -0.327 -5.999 2.958 1.00 0.00 H new ATOM 0 HE3 TRP A 7 -4.443 -2.967 1.297 1.00 0.00 H new ATOM 0 HZ2 TRP A 7 -0.678 -3.654 4.480 1.00 0.00 H new ATOM 0 HZ3 TRP A 7 -3.970 -1.329 3.061 1.00 0.00 H new ATOM 0 HH2 TRP A 7 -2.112 -1.663 4.629 1.00 0.00 H new ATOM 149 N TRP A 8 -3.268 -2.275 -0.965 1.00 0.00 N ATOM 150 CA TRP A 8 -3.663 -0.938 -0.543 1.00 0.00 C ATOM 151 C TRP A 8 -4.838 -0.388 -1.340 1.00 0.00 C ATOM 152 O TRP A 8 -5.773 -1.115 -1.676 1.00 0.00 O ATOM 153 CB TRP A 8 -2.463 0.013 -0.595 1.00 0.00 C ATOM 154 CG TRP A 8 -1.603 -0.142 -1.811 1.00 0.00 C ATOM 155 CD1 TRP A 8 -0.482 -0.903 -1.905 1.00 0.00 C ATOM 156 CD2 TRP A 8 -1.759 0.502 -3.083 1.00 0.00 C ATOM 157 NE1 TRP A 8 0.062 -0.797 -3.159 1.00 0.00 N ATOM 158 CE2 TRP A 8 -0.701 0.063 -3.901 1.00 0.00 C ATOM 159 CE3 TRP A 8 -2.689 1.397 -3.615 1.00 0.00 C ATOM 160 CZ2 TRP A 8 -0.548 0.490 -5.216 1.00 0.00 C ATOM 161 CZ3 TRP A 8 -2.535 1.822 -4.920 1.00 0.00 C ATOM 162 CH2 TRP A 8 -1.473 1.368 -5.706 1.00 0.00 C ATOM 0 H TRP A 8 -2.307 -2.343 -1.300 1.00 0.00 H new ATOM 0 HA TRP A 8 -4.007 -1.016 0.488 1.00 0.00 H new ATOM 0 HB2 TRP A 8 -2.826 1.040 -0.550 1.00 0.00 H new ATOM 0 HB3 TRP A 8 -1.850 -0.147 0.292 1.00 0.00 H new ATOM 0 HD1 TRP A 8 -0.077 -1.506 -1.106 1.00 0.00 H new ATOM 0 HE1 TRP A 8 0.899 -1.280 -3.486 1.00 0.00 H new ATOM 0 HE3 TRP A 8 -3.515 1.751 -3.016 1.00 0.00 H new ATOM 0 HZ2 TRP A 8 0.271 0.141 -5.827 1.00 0.00 H new ATOM 0 HZ3 TRP A 8 -3.247 2.517 -5.340 1.00 0.00 H new ATOM 0 HH2 TRP A 8 -1.381 1.719 -6.723 1.00 0.00 H new ATOM 173 N ALA A 9 -4.806 0.912 -1.598 1.00 0.00 N ATOM 174 CA ALA A 9 -5.885 1.576 -2.305 1.00 0.00 C ATOM 175 C ALA A 9 -7.137 1.545 -1.439 1.00 0.00 C ATOM 176 O ALA A 9 -8.255 1.386 -1.929 1.00 0.00 O ATOM 177 CB ALA A 9 -6.139 0.927 -3.660 1.00 0.00 C ATOM 0 H ALA A 9 -4.040 1.528 -1.326 1.00 0.00 H new ATOM 0 HA ALA A 9 -5.604 2.612 -2.496 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -6.953 1.447 -4.165 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -5.236 0.988 -4.268 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -6.410 -0.119 -3.517 1.00 0.00 H new ATOM 183 N PHE A 10 -6.916 1.691 -0.136 1.00 0.00 N ATOM 184 CA PHE A 10 -7.987 1.677 0.851 1.00 0.00 C ATOM 185 C PHE A 10 -7.610 2.564 2.030 1.00 0.00 C ATOM 186 O PHE A 10 -8.389 3.414 2.463 1.00 0.00 O ATOM 187 CB PHE A 10 -8.229 0.245 1.341 1.00 0.00 C ATOM 188 CG PHE A 10 -9.384 0.117 2.295 1.00 0.00 C ATOM 189 CD1 PHE A 10 -10.619 0.666 1.988 1.00 0.00 C ATOM 190 CD2 PHE A 10 -9.234 -0.553 3.499 1.00 0.00 C ATOM 191 CE1 PHE A 10 -11.682 0.548 2.863 1.00 0.00 C ATOM 192 CE2 PHE A 10 -10.294 -0.673 4.378 1.00 0.00 C ATOM 193 CZ PHE A 10 -11.519 -0.122 4.059 1.00 0.00 C ATOM 0 H PHE A 10 -5.987 1.822 0.264 1.00 0.00 H new ATOM 0 HA PHE A 10 -8.900 2.056 0.391 1.00 0.00 H new ATOM 0 HB2 PHE A 10 -8.408 -0.398 0.480 1.00 0.00 H new ATOM 0 HB3 PHE A 10 -7.325 -0.120 1.829 1.00 0.00 H new ATOM 0 HD1 PHE A 10 -10.752 1.192 1.054 1.00 0.00 H new ATOM 0 HD2 PHE A 10 -8.278 -0.986 3.753 1.00 0.00 H new ATOM 0 HE1 PHE A 10 -12.640 0.980 2.611 1.00 0.00 H new ATOM 0 HE2 PHE A 10 -10.164 -1.197 5.313 1.00 0.00 H new ATOM 0 HZ PHE A 10 -12.349 -0.215 4.744 1.00 0.00 H new ATOM 203 N LEU A 11 -6.397 2.362 2.531 1.00 0.00 N ATOM 204 CA LEU A 11 -5.879 3.137 3.648 1.00 0.00 C ATOM 205 C LEU A 11 -4.629 3.896 3.220 1.00 0.00 C ATOM 206 O LEU A 11 -4.373 5.010 3.679 1.00 0.00 O ATOM 207 CB LEU A 11 -5.580 2.220 4.842 1.00 0.00 C ATOM 208 CG LEU A 11 -4.600 1.068 4.578 1.00 0.00 C ATOM 209 CD1 LEU A 11 -3.159 1.555 4.626 1.00 0.00 C ATOM 210 CD2 LEU A 11 -4.815 -0.053 5.583 1.00 0.00 C ATOM 0 H LEU A 11 -5.749 1.659 2.175 1.00 0.00 H new ATOM 0 HA LEU A 11 -6.633 3.860 3.958 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -5.182 2.830 5.653 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -6.521 1.797 5.194 1.00 0.00 H new ATOM 0 HG LEU A 11 -4.794 0.682 3.577 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -2.486 0.719 4.436 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -3.009 2.322 3.866 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -2.949 1.973 5.610 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -4.112 -0.862 5.382 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -4.652 0.327 6.592 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -5.835 -0.428 5.497 1.00 0.00 H new ATOM 222 N ARG A 12 -3.861 3.277 2.330 1.00 0.00 N ATOM 223 CA ARG A 12 -2.635 3.872 1.817 1.00 0.00 C ATOM 224 C ARG A 12 -2.932 5.102 0.965 1.00 0.00 C ATOM 225 O ARG A 12 -2.352 6.168 1.176 1.00 0.00 O ATOM 226 CB ARG A 12 -1.855 2.828 1.007 1.00 0.00 C ATOM 227 CG ARG A 12 -0.941 3.412 -0.056 1.00 0.00 C ATOM 228 CD ARG A 12 0.203 2.471 -0.391 1.00 0.00 C ATOM 229 NE ARG A 12 1.008 2.151 0.787 1.00 0.00 N ATOM 230 CZ ARG A 12 1.701 3.052 1.479 1.00 0.00 C ATOM 231 NH1 ARG A 12 1.713 4.324 1.102 1.00 0.00 N ATOM 232 NH2 ARG A 12 2.388 2.679 2.549 1.00 0.00 N ATOM 0 H ARG A 12 -4.070 2.355 1.947 1.00 0.00 H new ATOM 0 HA ARG A 12 -2.027 4.197 2.661 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -1.257 2.227 1.692 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -2.565 2.154 0.528 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -1.517 3.620 -0.958 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -0.540 4.364 0.292 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -0.197 1.551 -0.818 1.00 0.00 H new ATOM 0 HD3 ARG A 12 0.837 2.927 -1.151 1.00 0.00 H new ATOM 0 HE ARG A 12 1.040 1.180 1.097 1.00 0.00 H new ATOM 0 HH11 ARG A 12 1.189 4.616 0.277 1.00 0.00 H new ATOM 0 HH12 ARG A 12 2.246 5.009 1.637 1.00 0.00 H new ATOM 0 HH21 ARG A 12 2.385 1.702 2.842 1.00 0.00 H new ATOM 0 HH22 ARG A 12 2.919 3.369 3.080 1.00 0.00 H new