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 43 N ARG A 3 -7.541 0.573 -0.571 1.00 0.00 N ATOM 44 CA ARG A 3 -7.233 0.909 0.810 1.00 0.00 C ATOM 45 C ARG A 3 -6.035 0.116 1.325 1.00 0.00 C ATOM 46 O ARG A 3 -5.876 -0.061 2.533 1.00 0.00 O ATOM 47 CB ARG A 3 -8.458 0.644 1.684 1.00 0.00 C ATOM 48 CG ARG A 3 -8.923 -0.804 1.647 1.00 0.00 C ATOM 49 CD ARG A 3 -8.333 -1.608 2.791 1.00 0.00 C ATOM 50 NE ARG A 3 -8.842 -1.145 4.074 1.00 0.00 N ATOM 51 CZ ARG A 3 -8.497 -1.671 5.246 1.00 0.00 C ATOM 52 NH1 ARG A 3 -7.634 -2.677 5.299 1.00 0.00 N ATOM 53 NH2 ARG A 3 -9.015 -1.188 6.367 1.00 0.00 N ATOM 0 HA ARG A 3 -6.972 1.966 0.856 1.00 0.00 H new ATOM 0 HB2 ARG A 3 -8.227 0.918 2.713 1.00 0.00 H new ATOM 0 HB3 ARG A 3 -9.274 1.289 1.358 1.00 0.00 H new ATOM 0 HG2 ARG A 3 -10.011 -0.839 1.700 1.00 0.00 H new ATOM 0 HG3 ARG A 3 -8.635 -1.255 0.698 1.00 0.00 H new ATOM 0 HD2 ARG A 3 -8.574 -2.663 2.660 1.00 0.00 H new ATOM 0 HD3 ARG A 3 -7.246 -1.525 2.776 1.00 0.00 H new ATOM 0 HE ARG A 3 -9.504 -0.369 4.074 1.00 0.00 H new ATOM 0 HH11 ARG A 3 -7.232 -3.050 4.439 1.00 0.00 H new ATOM 0 HH12 ARG A 3 -7.372 -3.077 6.200 1.00 0.00 H new ATOM 0 HH21 ARG A 3 -9.678 -0.413 6.330 1.00 0.00 H new ATOM 0 HH22 ARG A 3 -8.751 -1.591 7.266 1.00 0.00 H new ATOM 67 N PHE A 4 -5.180 -0.342 0.415 1.00 0.00 N ATOM 68 CA PHE A 4 -4.000 -1.094 0.816 1.00 0.00 C ATOM 69 C PHE A 4 -2.921 -1.038 -0.260 1.00 0.00 C ATOM 70 O PHE A 4 -1.741 -0.956 0.048 1.00 0.00 O ATOM 71 CB PHE A 4 -4.357 -2.550 1.154 1.00 0.00 C ATOM 72 CG PHE A 4 -4.421 -3.476 -0.031 1.00 0.00 C ATOM 73 CD1 PHE A 4 -3.258 -3.925 -0.644 1.00 0.00 C ATOM 74 CD2 PHE A 4 -5.641 -3.915 -0.517 1.00 0.00 C ATOM 75 CE1 PHE A 4 -3.316 -4.787 -1.722 1.00 0.00 C ATOM 76 CE2 PHE A 4 -5.704 -4.780 -1.593 1.00 0.00 C ATOM 77 CZ PHE A 4 -4.541 -5.216 -2.197 1.00 0.00 C ATOM 0 H PHE A 4 -5.281 -0.207 -0.591 1.00 0.00 H new ATOM 0 HA PHE A 4 -3.603 -0.627 1.717 1.00 0.00 H new ATOM 0 HB2 PHE A 4 -3.621 -2.935 1.859 1.00 0.00 H new ATOM 0 HB3 PHE A 4 -5.322 -2.564 1.661 1.00 0.00 H new ATOM 0 HD1 PHE A 4 -2.298 -3.597 -0.274 1.00 0.00 H new ATOM 0 HD2 PHE A 4 -6.554 -3.577 -0.050 1.00 0.00 H new ATOM 0 HE1 PHE A 4 -2.405 -5.125 -2.193 1.00 0.00 H new ATOM 0 HE2 PHE A 4 -6.662 -5.115 -1.961 1.00 0.00 H new ATOM 0 HZ PHE A 4 -4.589 -5.891 -3.039 1.00 0.00 H new ATOM 87 N ALA A 5 -3.327 -1.088 -1.521 1.00 0.00 N ATOM 88 CA ALA A 5 -2.374 -1.051 -2.625 1.00 0.00 C ATOM 89 C ALA A 5 -1.891 0.372 -2.916 1.00 0.00 C ATOM 90 O ALA A 5 -1.965 0.854 -4.047 1.00 0.00 O ATOM 91 CB ALA A 5 -2.994 -1.669 -3.855 1.00 0.00 C ATOM 0 H ALA A 5 -4.304 -1.154 -1.806 1.00 0.00 H new ATOM 0 HA ALA A 5 -1.498 -1.631 -2.334 1.00 0.00 H new ATOM 0 HB1 ALA A 5 -2.279 -1.639 -4.677 1.00 0.00 H new ATOM 0 HB2 ALA A 5 -3.263 -2.704 -3.646 1.00 0.00 H new ATOM 0 HB3 ALA A 5 -3.888 -1.110 -4.132 1.00 0.00 H new ATOM 97 N TRP A 6 -1.391 1.021 -1.879 1.00 0.00 N ATOM 98 CA TRP A 6 -0.871 2.382 -1.958 1.00 0.00 C ATOM 99 C TRP A 6 0.290 2.512 -1.004 1.00 0.00 C ATOM 100 O TRP A 6 1.293 3.162 -1.289 1.00 0.00 O ATOM 101 CB TRP A 6 -1.909 3.398 -1.507 1.00 0.00 C ATOM 102 CG TRP A 6 -2.472 3.050 -0.175 1.00 0.00 C ATOM 103 CD1 TRP A 6 -3.104 1.906 0.178 1.00 0.00 C ATOM 104 CD2 TRP A 6 -2.416 3.851 0.981 1.00 0.00 C ATOM 105 NE1 TRP A 6 -3.410 1.925 1.512 1.00 0.00 N ATOM 106 CE2 TRP A 6 -3.005 3.128 2.029 1.00 0.00 C ATOM 107 CE3 TRP A 6 -1.912 5.112 1.219 1.00 0.00 C ATOM 108 CZ2 TRP A 6 -3.094 3.636 3.316 1.00 0.00 C ATOM 109 CZ3 TRP A 6 -2.003 5.631 2.495 1.00 0.00 C ATOM 110 CH2 TRP A 6 -2.588 4.890 3.532 1.00 0.00 C ATOM 0 H TRP A 6 -1.332 0.616 -0.945 1.00 0.00 H new ATOM 0 HA TRP A 6 -0.588 2.570 -2.994 1.00 0.00 H new ATOM 0 HB2 TRP A 6 -1.455 4.388 -1.464 1.00 0.00 H new ATOM 0 HB3 TRP A 6 -2.713 3.448 -2.241 1.00 0.00 H new ATOM 0 HD1 TRP A 6 -3.334 1.094 -0.496 1.00 0.00 H new ATOM 0 HE1 TRP A 6 -3.862 1.173 2.032 1.00 0.00 H new ATOM 0 HE3 TRP A 6 -1.455 5.682 0.423 1.00 0.00 H new ATOM 0 HZ2 TRP A 6 -3.544 3.066 4.115 1.00 0.00 H new ATOM 0 HZ3 TRP A 6 -1.619 6.620 2.697 1.00 0.00 H new ATOM 0 HH2 TRP A 6 -2.641 5.318 4.522 1.00 0.00 H new ATOM 121 N TRP A 7 0.104 1.906 0.159 1.00 0.00 N ATOM 122 CA TRP A 7 1.077 1.942 1.206 1.00 0.00 C ATOM 123 C TRP A 7 2.258 1.094 0.888 1.00 0.00 C ATOM 124 O TRP A 7 3.302 1.240 1.497 1.00 0.00 O ATOM 125 CB TRP A 7 0.448 1.532 2.527 1.00 0.00 C ATOM 126 CG TRP A 7 -0.167 0.169 2.522 1.00 0.00 C ATOM 127 CD1 TRP A 7 -1.474 -0.112 2.682 1.00 0.00 C ATOM 128 CD2 TRP A 7 0.491 -1.086 2.371 1.00 0.00 C ATOM 129 NE1 TRP A 7 -1.687 -1.464 2.646 1.00 0.00 N ATOM 130 CE2 TRP A 7 -0.492 -2.084 2.452 1.00 0.00 C ATOM 131 CE3 TRP A 7 1.810 -1.464 2.174 1.00 0.00 C ATOM 132 CZ2 TRP A 7 -0.196 -3.430 2.342 1.00 0.00 C ATOM 133 CZ3 TRP A 7 2.108 -2.788 2.059 1.00 0.00 C ATOM 134 CH2 TRP A 7 1.114 -3.768 2.143 1.00 0.00 C ATOM 0 H TRP A 7 -0.736 1.376 0.390 1.00 0.00 H new ATOM 0 HA TRP A 7 1.434 2.968 1.297 1.00 0.00 H new ATOM 0 HB2 TRP A 7 1.210 1.571 3.306 1.00 0.00 H new ATOM 0 HB3 TRP A 7 -0.317 2.261 2.793 1.00 0.00 H new ATOM 0 HD1 TRP A 7 -2.249 0.628 2.820 1.00 0.00 H new ATOM 0 HE1 TRP A 7 -2.590 -1.928 2.748 1.00 0.00 H new ATOM 0 HE3 TRP A 7 2.590 -0.720 2.113 1.00 0.00 H new ATOM 0 HZ2 TRP A 7 -0.967 -4.183 2.410 1.00 0.00 H new ATOM 0 HZ3 TRP A 7 3.133 -3.087 1.900 1.00 0.00 H new ATOM 0 HH2 TRP A 7 1.385 -4.809 2.049 1.00 0.00 H new ATOM 145 N TRP A 8 2.108 0.195 -0.050 1.00 0.00 N ATOM 146 CA TRP A 8 3.216 -0.660 -0.373 1.00 0.00 C ATOM 147 C TRP A 8 4.377 0.176 -0.774 1.00 0.00 C ATOM 148 O TRP A 8 5.477 0.059 -0.235 1.00 0.00 O ATOM 149 CB TRP A 8 2.932 -1.594 -1.524 1.00 0.00 C ATOM 150 CG TRP A 8 1.762 -2.422 -1.325 1.00 0.00 C ATOM 151 CD1 TRP A 8 0.580 -2.027 -0.862 1.00 0.00 C ATOM 152 CD2 TRP A 8 1.683 -3.783 -1.592 1.00 0.00 C ATOM 153 NE1 TRP A 8 -0.271 -3.101 -0.791 1.00 0.00 N ATOM 154 CE2 TRP A 8 0.401 -4.211 -1.248 1.00 0.00 C ATOM 155 CE3 TRP A 8 2.600 -4.669 -2.088 1.00 0.00 C ATOM 156 CZ2 TRP A 8 0.009 -5.539 -1.390 1.00 0.00 C ATOM 157 CZ3 TRP A 8 2.235 -5.979 -2.235 1.00 0.00 C ATOM 158 CH2 TRP A 8 0.944 -6.415 -1.885 1.00 0.00 C ATOM 0 H TRP A 8 1.256 0.039 -0.589 1.00 0.00 H new ATOM 0 HA TRP A 8 3.413 -1.255 0.519 1.00 0.00 H new ATOM 0 HB2 TRP A 8 2.801 -1.007 -2.433 1.00 0.00 H new ATOM 0 HB3 TRP A 8 3.798 -2.236 -1.682 1.00 0.00 H new ATOM 0 HD1 TRP A 8 0.328 -1.014 -0.584 1.00 0.00 H new ATOM 0 HE1 TRP A 8 -1.235 -3.080 -0.457 1.00 0.00 H new ATOM 0 HE3 TRP A 8 3.593 -4.340 -2.358 1.00 0.00 H new ATOM 0 HZ2 TRP A 8 -0.985 -5.866 -1.123 1.00 0.00 H new ATOM 0 HZ3 TRP A 8 2.949 -6.689 -2.626 1.00 0.00 H new ATOM 0 HH2 TRP A 8 0.684 -7.456 -2.008 1.00 0.00 H new ATOM 169 N PRO A 9 4.138 1.018 -1.778 1.00 0.00 N ATOM 170 CA PRO A 9 5.150 1.866 -2.312 1.00 0.00 C ATOM 171 C PRO A 9 6.011 2.493 -1.224 1.00 0.00 C ATOM 172 O PRO A 9 7.233 2.543 -1.351 1.00 0.00 O ATOM 173 CB PRO A 9 4.341 2.889 -3.100 1.00 0.00 C ATOM 174 CG PRO A 9 3.217 2.081 -3.634 1.00 0.00 C ATOM 175 CD PRO A 9 2.857 1.170 -2.513 1.00 0.00 C ATOM 0 HA PRO A 9 5.879 1.340 -2.929 1.00 0.00 H new ATOM 0 HB2 PRO A 9 3.989 3.702 -2.465 1.00 0.00 H new ATOM 0 HB3 PRO A 9 4.929 3.341 -3.899 1.00 0.00 H new ATOM 0 HG2 PRO A 9 2.375 2.711 -3.921 1.00 0.00 H new ATOM 0 HG3 PRO A 9 3.515 1.522 -4.521 1.00 0.00 H new ATOM 0 HD2 PRO A 9 2.078 1.597 -1.881 1.00 0.00 H new ATOM 0 HD3 PRO A 9 2.484 0.212 -2.876 1.00 0.00 H new ATOM 183 N PHE A 10 5.387 2.936 -0.135 1.00 0.00 N ATOM 184 CA PHE A 10 6.158 3.502 0.968 1.00 0.00 C ATOM 185 C PHE A 10 6.442 2.442 2.023 1.00 0.00 C ATOM 186 O PHE A 10 7.598 2.142 2.324 1.00 0.00 O ATOM 187 CB PHE A 10 5.448 4.657 1.656 1.00 0.00 C ATOM 188 CG PHE A 10 4.097 4.999 1.123 1.00 0.00 C ATOM 189 CD1 PHE A 10 3.938 5.678 -0.072 1.00 0.00 C ATOM 190 CD2 PHE A 10 2.981 4.647 1.843 1.00 0.00 C ATOM 191 CE1 PHE A 10 2.675 5.994 -0.534 1.00 0.00 C ATOM 192 CE2 PHE A 10 1.727 4.962 1.398 1.00 0.00 C ATOM 193 CZ PHE A 10 1.564 5.637 0.205 1.00 0.00 C ATOM 0 H PHE A 10 4.377 2.916 0.006 1.00 0.00 H new ATOM 0 HA PHE A 10 7.081 3.872 0.523 1.00 0.00 H new ATOM 0 HB2 PHE A 10 5.350 4.419 2.715 1.00 0.00 H new ATOM 0 HB3 PHE A 10 6.081 5.542 1.585 1.00 0.00 H new ATOM 0 HD1 PHE A 10 4.807 5.963 -0.647 1.00 0.00 H new ATOM 0 HD2 PHE A 10 3.096 4.113 2.775 1.00 0.00 H new ATOM 0 HE1 PHE A 10 2.557 6.519 -1.470 1.00 0.00 H new ATOM 0 HE2 PHE A 10 0.862 4.682 1.981 1.00 0.00 H new ATOM 0 HZ PHE A 10 0.574 5.884 -0.148 1.00 0.00 H new ATOM 203 N LEU A 11 5.368 1.902 2.601 1.00 0.00 N ATOM 204 CA LEU A 11 5.477 0.895 3.647 1.00 0.00 C ATOM 205 C LEU A 11 6.526 -0.161 3.312 1.00 0.00 C ATOM 206 O LEU A 11 7.471 -0.375 4.071 1.00 0.00 O ATOM 207 CB LEU A 11 4.140 0.196 3.907 1.00 0.00 C ATOM 208 CG LEU A 11 3.060 1.031 4.606 1.00 0.00 C ATOM 209 CD1 LEU A 11 1.932 0.123 5.055 1.00 0.00 C ATOM 210 CD2 LEU A 11 3.635 1.797 5.789 1.00 0.00 C ATOM 0 H LEU A 11 4.409 2.150 2.358 1.00 0.00 H new ATOM 0 HA LEU A 11 5.782 1.430 4.546 1.00 0.00 H new ATOM 0 HB2 LEU A 11 3.742 -0.147 2.952 1.00 0.00 H new ATOM 0 HB3 LEU A 11 4.330 -0.692 4.511 1.00 0.00 H new ATOM 0 HG LEU A 11 2.673 1.764 3.899 1.00 0.00 H new ATOM 0 HD11 LEU A 11 1.164 0.716 5.552 1.00 0.00 H new ATOM 0 HD12 LEU A 11 1.500 -0.377 4.188 1.00 0.00 H new ATOM 0 HD13 LEU A 11 2.320 -0.623 5.748 1.00 0.00 H new ATOM 0 HD21 LEU A 11 2.845 2.379 6.264 1.00 0.00 H new ATOM 0 HD22 LEU A 11 4.051 1.094 6.510 1.00 0.00 H new ATOM 0 HD23 LEU A 11 4.421 2.467 5.441 1.00 0.00 H new