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 7.451 0.045 0.635 1.00 0.00 N ATOM 44 CA ARG A 3 7.126 -0.772 1.793 1.00 0.00 C ATOM 45 C ARG A 3 5.834 -0.302 2.418 1.00 0.00 C ATOM 46 O ARG A 3 5.628 -0.434 3.625 1.00 0.00 O ATOM 47 CB ARG A 3 8.248 -0.714 2.827 1.00 0.00 C ATOM 48 CG ARG A 3 9.613 -1.014 2.243 1.00 0.00 C ATOM 49 CD ARG A 3 9.673 -2.420 1.681 1.00 0.00 C ATOM 50 NE ARG A 3 10.710 -2.550 0.660 1.00 0.00 N ATOM 51 CZ ARG A 3 12.010 -2.391 0.897 1.00 0.00 C ATOM 52 NH1 ARG A 3 12.437 -2.098 2.119 1.00 0.00 N ATOM 53 NH2 ARG A 3 12.885 -2.520 -0.091 1.00 0.00 N ATOM 0 HA ARG A 3 7.010 -1.803 1.460 1.00 0.00 H new ATOM 0 HB2 ARG A 3 8.264 0.277 3.281 1.00 0.00 H new ATOM 0 HB3 ARG A 3 8.036 -1.427 3.624 1.00 0.00 H new ATOM 0 HG2 ARG A 3 9.840 -0.295 1.456 1.00 0.00 H new ATOM 0 HG3 ARG A 3 10.375 -0.895 3.013 1.00 0.00 H new ATOM 0 HD2 ARG A 3 9.866 -3.127 2.488 1.00 0.00 H new ATOM 0 HD3 ARG A 3 8.706 -2.682 1.253 1.00 0.00 H new ATOM 0 HE ARG A 3 10.420 -2.776 -0.291 1.00 0.00 H new ATOM 0 HH11 ARG A 3 11.768 -1.994 2.882 1.00 0.00 H new ATOM 0 HH12 ARG A 3 13.434 -1.977 2.295 1.00 0.00 H new ATOM 0 HH21 ARG A 3 12.562 -2.741 -1.033 1.00 0.00 H new ATOM 0 HH22 ARG A 3 13.881 -2.398 0.091 1.00 0.00 H new ATOM 67 N PHE A 4 4.959 0.244 1.588 1.00 0.00 N ATOM 68 CA PHE A 4 3.684 0.725 2.071 1.00 0.00 C ATOM 69 C PHE A 4 2.729 1.059 0.928 1.00 0.00 C ATOM 70 O PHE A 4 1.543 0.775 1.009 1.00 0.00 O ATOM 71 CB PHE A 4 3.888 1.953 2.951 1.00 0.00 C ATOM 72 CG PHE A 4 4.175 3.192 2.165 1.00 0.00 C ATOM 73 CD1 PHE A 4 3.140 3.996 1.713 1.00 0.00 C ATOM 74 CD2 PHE A 4 5.478 3.541 1.862 1.00 0.00 C ATOM 75 CE1 PHE A 4 3.405 5.132 0.973 1.00 0.00 C ATOM 76 CE2 PHE A 4 5.750 4.674 1.123 1.00 0.00 C ATOM 77 CZ PHE A 4 4.712 5.473 0.678 1.00 0.00 C ATOM 0 H PHE A 4 5.110 0.362 0.586 1.00 0.00 H new ATOM 0 HA PHE A 4 3.232 -0.076 2.656 1.00 0.00 H new ATOM 0 HB2 PHE A 4 2.996 2.112 3.557 1.00 0.00 H new ATOM 0 HB3 PHE A 4 4.712 1.767 3.640 1.00 0.00 H new ATOM 0 HD1 PHE A 4 2.118 3.732 1.941 1.00 0.00 H new ATOM 0 HD2 PHE A 4 6.292 2.920 2.207 1.00 0.00 H new ATOM 0 HE1 PHE A 4 2.592 5.753 0.625 1.00 0.00 H new ATOM 0 HE2 PHE A 4 6.772 4.937 0.892 1.00 0.00 H new ATOM 0 HZ PHE A 4 4.922 6.362 0.101 1.00 0.00 H new ATOM 87 N ALA A 5 3.243 1.686 -0.119 1.00 0.00 N ATOM 88 CA ALA A 5 2.413 2.084 -1.250 1.00 0.00 C ATOM 89 C ALA A 5 2.068 0.911 -2.171 1.00 0.00 C ATOM 90 O ALA A 5 2.206 0.992 -3.391 1.00 0.00 O ATOM 91 CB ALA A 5 3.099 3.189 -2.014 1.00 0.00 C ATOM 0 H ALA A 5 4.229 1.931 -0.211 1.00 0.00 H new ATOM 0 HA ALA A 5 1.465 2.448 -0.855 1.00 0.00 H new ATOM 0 HB1 ALA A 5 2.479 3.486 -2.859 1.00 0.00 H new ATOM 0 HB2 ALA A 5 3.252 4.045 -1.357 1.00 0.00 H new ATOM 0 HB3 ALA A 5 4.063 2.835 -2.379 1.00 0.00 H new ATOM 97 N TRP A 6 1.597 -0.159 -1.560 1.00 0.00 N ATOM 98 CA TRP A 6 1.182 -1.374 -2.255 1.00 0.00 C ATOM 99 C TRP A 6 -0.043 -1.907 -1.570 1.00 0.00 C ATOM 100 O TRP A 6 -0.967 -2.424 -2.195 1.00 0.00 O ATOM 101 CB TRP A 6 2.216 -2.476 -2.141 1.00 0.00 C ATOM 102 CG TRP A 6 2.641 -2.680 -0.733 1.00 0.00 C ATOM 103 CD1 TRP A 6 3.218 -1.777 0.095 1.00 0.00 C ATOM 104 CD2 TRP A 6 2.478 -3.864 0.011 1.00 0.00 C ATOM 105 NE1 TRP A 6 3.379 -2.317 1.345 1.00 0.00 N ATOM 106 CE2 TRP A 6 2.944 -3.618 1.310 1.00 0.00 C ATOM 107 CE3 TRP A 6 1.971 -5.104 -0.312 1.00 0.00 C ATOM 108 CZ2 TRP A 6 2.906 -4.588 2.301 1.00 0.00 C ATOM 109 CZ3 TRP A 6 1.935 -6.081 0.664 1.00 0.00 C ATOM 110 CH2 TRP A 6 2.398 -5.816 1.962 1.00 0.00 C ATOM 0 H TRP A 6 1.488 -0.215 -0.547 1.00 0.00 H new ATOM 0 HA TRP A 6 1.025 -1.114 -3.302 1.00 0.00 H new ATOM 0 HB2 TRP A 6 1.804 -3.405 -2.536 1.00 0.00 H new ATOM 0 HB3 TRP A 6 3.084 -2.227 -2.752 1.00 0.00 H new ATOM 0 HD1 TRP A 6 3.509 -0.776 -0.188 1.00 0.00 H new ATOM 0 HE1 TRP A 6 3.757 -1.835 2.160 1.00 0.00 H new ATOM 0 HE3 TRP A 6 1.609 -5.308 -1.309 1.00 0.00 H new ATOM 0 HZ2 TRP A 6 3.262 -4.384 3.300 1.00 0.00 H new ATOM 0 HZ3 TRP A 6 1.546 -7.060 0.425 1.00 0.00 H new ATOM 0 HH2 TRP A 6 2.353 -6.595 2.709 1.00 0.00 H new ATOM 121 N TRP A 7 0.001 -1.806 -0.252 1.00 0.00 N ATOM 122 CA TRP A 7 -1.048 -2.280 0.582 1.00 0.00 C ATOM 123 C TRP A 7 -2.223 -1.367 0.523 1.00 0.00 C ATOM 124 O TRP A 7 -3.325 -1.749 0.885 1.00 0.00 O ATOM 125 CB TRP A 7 -0.544 -2.465 2.007 1.00 0.00 C ATOM 126 CG TRP A 7 -0.015 -1.225 2.668 1.00 0.00 C ATOM 127 CD1 TRP A 7 1.245 -1.026 3.107 1.00 0.00 C ATOM 128 CD2 TRP A 7 -0.734 -0.040 3.003 1.00 0.00 C ATOM 129 NE1 TRP A 7 1.361 0.203 3.704 1.00 0.00 N ATOM 130 CE2 TRP A 7 0.158 0.827 3.646 1.00 0.00 C ATOM 131 CE3 TRP A 7 -2.041 0.369 2.821 1.00 0.00 C ATOM 132 CZ2 TRP A 7 -0.222 2.074 4.105 1.00 0.00 C ATOM 133 CZ3 TRP A 7 -2.425 1.594 3.267 1.00 0.00 C ATOM 134 CH2 TRP A 7 -1.525 2.444 3.905 1.00 0.00 C ATOM 0 H TRP A 7 0.780 -1.387 0.256 1.00 0.00 H new ATOM 0 HA TRP A 7 -1.378 -3.253 0.217 1.00 0.00 H new ATOM 0 HB2 TRP A 7 -1.358 -2.861 2.614 1.00 0.00 H new ATOM 0 HB3 TRP A 7 0.244 -3.218 2.001 1.00 0.00 H new ATOM 0 HD1 TRP A 7 2.051 -1.737 3.003 1.00 0.00 H new ATOM 0 HE1 TRP A 7 2.210 0.584 4.122 1.00 0.00 H new ATOM 0 HE3 TRP A 7 -2.751 -0.279 2.329 1.00 0.00 H new ATOM 0 HZ2 TRP A 7 0.479 2.729 4.601 1.00 0.00 H new ATOM 0 HZ3 TRP A 7 -3.447 1.914 3.124 1.00 0.00 H new ATOM 0 HH2 TRP A 7 -1.861 3.412 4.248 1.00 0.00 H new ATOM 145 N TRP A 8 -1.996 -0.154 0.071 1.00 0.00 N ATOM 146 CA TRP A 8 -3.079 0.791 -0.010 1.00 0.00 C ATOM 147 C TRP A 8 -4.194 0.189 -0.773 1.00 0.00 C ATOM 148 O TRP A 8 -5.333 0.126 -0.309 1.00 0.00 O ATOM 149 CB TRP A 8 -2.687 2.057 -0.717 1.00 0.00 C ATOM 150 CG TRP A 8 -1.683 2.782 0.008 1.00 0.00 C ATOM 151 CD1 TRP A 8 -0.705 2.229 0.690 1.00 0.00 C ATOM 152 CD2 TRP A 8 -1.572 4.166 0.128 1.00 0.00 C ATOM 153 NE1 TRP A 8 0.043 3.203 1.305 1.00 0.00 N ATOM 154 CE2 TRP A 8 -0.475 4.425 0.952 1.00 0.00 C ATOM 155 CE3 TRP A 8 -2.308 5.200 -0.384 1.00 0.00 C ATOM 156 CZ2 TRP A 8 -0.095 5.722 1.284 1.00 0.00 C ATOM 157 CZ3 TRP A 8 -1.950 6.475 -0.069 1.00 0.00 C ATOM 158 CH2 TRP A 8 -0.849 6.741 0.763 1.00 0.00 C ATOM 0 H TRP A 8 -1.089 0.194 -0.240 1.00 0.00 H new ATOM 0 HA TRP A 8 -3.364 1.034 1.014 1.00 0.00 H new ATOM 0 HB2 TRP A 8 -2.314 1.817 -1.713 1.00 0.00 H new ATOM 0 HB3 TRP A 8 -3.567 2.687 -0.849 1.00 0.00 H new ATOM 0 HD1 TRP A 8 -0.518 1.167 0.757 1.00 0.00 H new ATOM 0 HE1 TRP A 8 0.844 3.046 1.917 1.00 0.00 H new ATOM 0 HE3 TRP A 8 -3.156 5.008 -1.025 1.00 0.00 H new ATOM 0 HZ2 TRP A 8 0.754 5.916 1.922 1.00 0.00 H new ATOM 0 HZ3 TRP A 8 -2.524 7.299 -0.467 1.00 0.00 H new ATOM 0 HH2 TRP A 8 -0.593 7.764 0.995 1.00 0.00 H new ATOM 169 N PRO A 9 -3.866 -0.249 -1.988 1.00 0.00 N ATOM 170 CA PRO A 9 -4.821 -0.836 -2.859 1.00 0.00 C ATOM 171 C PRO A 9 -5.807 -1.696 -2.095 1.00 0.00 C ATOM 172 O PRO A 9 -7.015 -1.614 -2.315 1.00 0.00 O ATOM 173 CB PRO A 9 -3.933 -1.636 -3.796 1.00 0.00 C ATOM 174 CG PRO A 9 -2.771 -0.738 -3.988 1.00 0.00 C ATOM 175 CD PRO A 9 -2.528 -0.174 -2.630 1.00 0.00 C ATOM 0 HA PRO A 9 -5.457 -0.123 -3.384 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -3.639 -2.591 -3.359 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -4.434 -1.857 -4.738 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -1.901 -1.282 -4.356 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -2.987 0.046 -4.714 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -1.785 -0.752 -2.081 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -2.162 0.851 -2.679 1.00 0.00 H new ATOM 183 N PHE A 10 -5.296 -2.487 -1.156 1.00 0.00 N ATOM 184 CA PHE A 10 -6.177 -3.305 -0.331 1.00 0.00 C ATOM 185 C PHE A 10 -6.494 -2.606 0.990 1.00 0.00 C ATOM 186 O PHE A 10 -7.644 -2.265 1.266 1.00 0.00 O ATOM 187 CB PHE A 10 -5.588 -4.677 -0.022 1.00 0.00 C ATOM 188 CG PHE A 10 -4.140 -4.866 -0.356 1.00 0.00 C ATOM 189 CD1 PHE A 10 -3.699 -4.883 -1.669 1.00 0.00 C ATOM 190 CD2 PHE A 10 -3.220 -5.050 0.658 1.00 0.00 C ATOM 191 CE1 PHE A 10 -2.364 -5.076 -1.959 1.00 0.00 C ATOM 192 CE2 PHE A 10 -1.891 -5.252 0.377 1.00 0.00 C ATOM 193 CZ PHE A 10 -1.457 -5.264 -0.935 1.00 0.00 C ATOM 0 H PHE A 10 -4.301 -2.578 -0.951 1.00 0.00 H new ATOM 0 HA PHE A 10 -7.088 -3.443 -0.914 1.00 0.00 H new ATOM 0 HB2 PHE A 10 -5.723 -4.876 1.041 1.00 0.00 H new ATOM 0 HB3 PHE A 10 -6.165 -5.427 -0.563 1.00 0.00 H new ATOM 0 HD1 PHE A 10 -4.407 -4.744 -2.473 1.00 0.00 H new ATOM 0 HD2 PHE A 10 -3.551 -5.035 1.686 1.00 0.00 H new ATOM 0 HE1 PHE A 10 -2.029 -5.080 -2.986 1.00 0.00 H new ATOM 0 HE2 PHE A 10 -1.185 -5.401 1.181 1.00 0.00 H new ATOM 0 HZ PHE A 10 -0.412 -5.420 -1.159 1.00 0.00 H new ATOM 203 N LEU A 11 -5.462 -2.422 1.809 1.00 0.00 N ATOM 204 CA LEU A 11 -5.600 -1.792 3.119 1.00 0.00 C ATOM 205 C LEU A 11 -6.396 -0.488 3.084 1.00 0.00 C ATOM 206 O LEU A 11 -7.543 -0.437 3.531 1.00 0.00 O ATOM 207 CB LEU A 11 -4.244 -1.492 3.725 1.00 0.00 C ATOM 208 CG LEU A 11 -3.317 -2.676 4.010 1.00 0.00 C ATOM 209 CD1 LEU A 11 -2.144 -2.176 4.821 1.00 0.00 C ATOM 210 CD2 LEU A 11 -4.045 -3.794 4.741 1.00 0.00 C ATOM 0 H LEU A 11 -4.508 -2.705 1.584 1.00 0.00 H new ATOM 0 HA LEU A 11 -6.146 -2.515 3.725 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -3.721 -0.809 3.056 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -4.405 -0.959 4.662 1.00 0.00 H new ATOM 0 HG LEU A 11 -2.967 -3.096 3.067 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -1.470 -3.005 5.035 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -1.611 -1.412 4.256 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -2.504 -1.750 5.757 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -3.355 -4.617 4.926 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -4.426 -3.420 5.691 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -4.876 -4.147 4.130 1.00 0.00 H new