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 7.726 1.125 0.115 1.00 0.00 N ATOM 44 CA ARG A 3 7.168 1.681 -1.109 1.00 0.00 C ATOM 45 C ARG A 3 5.943 0.897 -1.569 1.00 0.00 C ATOM 46 O ARG A 3 5.605 0.912 -2.754 1.00 0.00 O ATOM 47 CB ARG A 3 8.235 1.689 -2.212 1.00 0.00 C ATOM 48 CG ARG A 3 8.980 0.367 -2.354 1.00 0.00 C ATOM 49 CD ARG A 3 8.070 -0.748 -2.849 1.00 0.00 C ATOM 50 NE ARG A 3 7.720 -0.590 -4.255 1.00 0.00 N ATOM 51 CZ ARG A 3 8.596 -0.671 -5.253 1.00 0.00 C ATOM 52 NH1 ARG A 3 9.875 -0.914 -5.001 1.00 0.00 N ATOM 53 NH2 ARG A 3 8.191 -0.513 -6.506 1.00 0.00 N ATOM 0 HA ARG A 3 6.852 2.704 -0.903 1.00 0.00 H new ATOM 0 HB2 ARG A 3 7.760 1.932 -3.163 1.00 0.00 H new ATOM 0 HB3 ARG A 3 8.955 2.481 -2.003 1.00 0.00 H new ATOM 0 HG2 ARG A 3 9.811 0.492 -3.048 1.00 0.00 H new ATOM 0 HG3 ARG A 3 9.407 0.086 -1.391 1.00 0.00 H new ATOM 0 HD2 ARG A 3 8.564 -1.709 -2.705 1.00 0.00 H new ATOM 0 HD3 ARG A 3 7.160 -0.765 -2.249 1.00 0.00 H new ATOM 0 HE ARG A 3 6.744 -0.406 -4.488 1.00 0.00 H new ATOM 0 HH11 ARG A 3 10.190 -1.040 -4.039 1.00 0.00 H new ATOM 0 HH12 ARG A 3 10.543 -0.975 -5.769 1.00 0.00 H new ATOM 0 HH21 ARG A 3 7.208 -0.329 -6.705 1.00 0.00 H new ATOM 0 HH22 ARG A 3 8.863 -0.575 -7.271 1.00 0.00 H new ATOM 67 N PHE A 4 5.274 0.209 -0.645 1.00 0.00 N ATOM 68 CA PHE A 4 4.099 -0.567 -1.014 1.00 0.00 C ATOM 69 C PHE A 4 3.116 -0.719 0.147 1.00 0.00 C ATOM 70 O PHE A 4 1.909 -0.692 -0.053 1.00 0.00 O ATOM 71 CB PHE A 4 4.504 -1.947 -1.542 1.00 0.00 C ATOM 72 CG PHE A 4 4.874 -2.924 -0.465 1.00 0.00 C ATOM 73 CD1 PHE A 4 3.891 -3.556 0.286 1.00 0.00 C ATOM 74 CD2 PHE A 4 6.203 -3.202 -0.198 1.00 0.00 C ATOM 75 CE1 PHE A 4 4.236 -4.445 1.285 1.00 0.00 C ATOM 76 CE2 PHE A 4 6.551 -4.091 0.799 1.00 0.00 C ATOM 77 CZ PHE A 4 5.567 -4.714 1.542 1.00 0.00 C ATOM 0 H PHE A 4 5.521 0.174 0.344 1.00 0.00 H new ATOM 0 HA PHE A 4 3.592 -0.014 -1.805 1.00 0.00 H new ATOM 0 HB2 PHE A 4 3.680 -2.358 -2.125 1.00 0.00 H new ATOM 0 HB3 PHE A 4 5.349 -1.832 -2.221 1.00 0.00 H new ATOM 0 HD1 PHE A 4 2.849 -3.351 0.087 1.00 0.00 H new ATOM 0 HD2 PHE A 4 6.976 -2.718 -0.776 1.00 0.00 H new ATOM 0 HE1 PHE A 4 3.465 -4.930 1.866 1.00 0.00 H new ATOM 0 HE2 PHE A 4 7.592 -4.299 0.998 1.00 0.00 H new ATOM 0 HZ PHE A 4 5.837 -5.410 2.322 1.00 0.00 H new ATOM 87 N ALA A 5 3.631 -0.902 1.353 1.00 0.00 N ATOM 88 CA ALA A 5 2.776 -1.086 2.520 1.00 0.00 C ATOM 89 C ALA A 5 2.219 0.241 3.043 1.00 0.00 C ATOM 90 O ALA A 5 2.312 0.552 4.230 1.00 0.00 O ATOM 91 CB ALA A 5 3.548 -1.813 3.596 1.00 0.00 C ATOM 0 H ALA A 5 4.631 -0.927 1.551 1.00 0.00 H new ATOM 0 HA ALA A 5 1.916 -1.686 2.223 1.00 0.00 H new ATOM 0 HB1 ALA A 5 2.911 -1.952 4.470 1.00 0.00 H new ATOM 0 HB2 ALA A 5 3.867 -2.786 3.221 1.00 0.00 H new ATOM 0 HB3 ALA A 5 4.424 -1.227 3.875 1.00 0.00 H new ATOM 97 N TRP A 6 1.631 0.997 2.133 1.00 0.00 N ATOM 98 CA TRP A 6 1.024 2.295 2.419 1.00 0.00 C ATOM 99 C TRP A 6 -0.202 2.443 1.559 1.00 0.00 C ATOM 100 O TRP A 6 -1.213 3.014 1.962 1.00 0.00 O ATOM 101 CB TRP A 6 1.940 3.441 2.020 1.00 0.00 C ATOM 102 CG TRP A 6 2.441 3.265 0.633 1.00 0.00 C ATOM 103 CD1 TRP A 6 3.148 2.221 0.144 1.00 0.00 C ATOM 104 CD2 TRP A 6 2.234 4.148 -0.445 1.00 0.00 C ATOM 105 NE1 TRP A 6 3.348 2.372 -1.200 1.00 0.00 N ATOM 106 CE2 TRP A 6 2.806 3.565 -1.584 1.00 0.00 C ATOM 107 CE3 TRP A 6 1.609 5.370 -0.544 1.00 0.00 C ATOM 108 CZ2 TRP A 6 2.757 4.170 -2.826 1.00 0.00 C ATOM 109 CZ3 TRP A 6 1.562 5.992 -1.776 1.00 0.00 C ATOM 110 CH2 TRP A 6 2.131 5.385 -2.908 1.00 0.00 C ATOM 0 H TRP A 6 1.558 0.725 1.153 1.00 0.00 H new ATOM 0 HA TRP A 6 0.813 2.333 3.488 1.00 0.00 H new ATOM 0 HB2 TRP A 6 1.402 4.386 2.099 1.00 0.00 H new ATOM 0 HB3 TRP A 6 2.782 3.495 2.710 1.00 0.00 H new ATOM 0 HD1 TRP A 6 3.504 1.387 0.731 1.00 0.00 H new ATOM 0 HE1 TRP A 6 3.821 1.707 -1.812 1.00 0.00 H new ATOM 0 HE3 TRP A 6 1.164 5.833 0.324 1.00 0.00 H new ATOM 0 HZ2 TRP A 6 3.195 3.703 -3.696 1.00 0.00 H new ATOM 0 HZ3 TRP A 6 1.083 6.955 -1.870 1.00 0.00 H new ATOM 0 HH2 TRP A 6 2.073 5.887 -3.863 1.00 0.00 H new ATOM 121 N TRP A 7 -0.062 1.956 0.334 1.00 0.00 N ATOM 122 CA TRP A 7 -1.101 2.035 -0.639 1.00 0.00 C ATOM 123 C TRP A 7 -2.181 1.047 -0.366 1.00 0.00 C ATOM 124 O TRP A 7 -3.268 1.163 -0.903 1.00 0.00 O ATOM 125 CB TRP A 7 -0.533 1.858 -2.042 1.00 0.00 C ATOM 126 CG TRP A 7 0.183 0.563 -2.276 1.00 0.00 C ATOM 127 CD1 TRP A 7 1.487 0.418 -2.579 1.00 0.00 C ATOM 128 CD2 TRP A 7 -0.362 -0.751 -2.264 1.00 0.00 C ATOM 129 NE1 TRP A 7 1.799 -0.905 -2.760 1.00 0.00 N ATOM 130 CE2 TRP A 7 0.676 -1.643 -2.568 1.00 0.00 C ATOM 131 CE3 TRP A 7 -1.623 -1.258 -2.024 1.00 0.00 C ATOM 132 CZ2 TRP A 7 0.481 -3.012 -2.636 1.00 0.00 C ATOM 133 CZ3 TRP A 7 -1.822 -2.599 -2.088 1.00 0.00 C ATOM 134 CH2 TRP A 7 -0.781 -3.473 -2.391 1.00 0.00 C ATOM 0 H TRP A 7 0.786 1.496 0.002 1.00 0.00 H new ATOM 0 HA TRP A 7 -1.548 3.027 -0.574 1.00 0.00 H new ATOM 0 HB2 TRP A 7 -1.348 1.940 -2.761 1.00 0.00 H new ATOM 0 HB3 TRP A 7 0.155 2.678 -2.245 1.00 0.00 H new ATOM 0 HD1 TRP A 7 2.191 1.232 -2.667 1.00 0.00 H new ATOM 0 HE1 TRP A 7 2.720 -1.273 -2.999 1.00 0.00 H new ATOM 0 HE3 TRP A 7 -2.442 -0.595 -1.788 1.00 0.00 H new ATOM 0 HZ2 TRP A 7 1.291 -3.686 -2.872 1.00 0.00 H new ATOM 0 HZ3 TRP A 7 -2.808 -2.997 -1.900 1.00 0.00 H new ATOM 0 HH2 TRP A 7 -0.975 -4.535 -2.433 1.00 0.00 H new ATOM 145 N TRP A 8 -1.897 0.061 0.457 1.00 0.00 N ATOM 146 CA TRP A 8 -2.908 -0.926 0.738 1.00 0.00 C ATOM 147 C TRP A 8 -4.109 -0.231 1.253 1.00 0.00 C ATOM 148 O TRP A 8 -5.223 -0.415 0.773 1.00 0.00 O ATOM 149 CB TRP A 8 -2.497 -1.932 1.789 1.00 0.00 C ATOM 150 CG TRP A 8 -1.272 -2.625 1.458 1.00 0.00 C ATOM 151 CD1 TRP A 8 -0.331 -2.154 0.665 1.00 0.00 C ATOM 152 CD2 TRP A 8 -0.860 -3.882 1.921 1.00 0.00 C ATOM 153 NE1 TRP A 8 0.689 -3.066 0.549 1.00 0.00 N ATOM 154 CE2 TRP A 8 0.381 -4.152 1.337 1.00 0.00 C ATOM 155 CE3 TRP A 8 -1.438 -4.799 2.769 1.00 0.00 C ATOM 156 CZ2 TRP A 8 1.068 -5.336 1.586 1.00 0.00 C ATOM 157 CZ3 TRP A 8 -0.771 -5.971 3.024 1.00 0.00 C ATOM 158 CH2 TRP A 8 0.476 -6.238 2.434 1.00 0.00 C ATOM 0 H TRP A 8 -1.003 -0.075 0.929 1.00 0.00 H new ATOM 0 HA TRP A 8 -3.086 -1.463 -0.193 1.00 0.00 H new ATOM 0 HB2 TRP A 8 -2.373 -1.421 2.744 1.00 0.00 H new ATOM 0 HB3 TRP A 8 -3.297 -2.661 1.919 1.00 0.00 H new ATOM 0 HD1 TRP A 8 -0.358 -1.191 0.177 1.00 0.00 H new ATOM 0 HE1 TRP A 8 1.528 -2.958 -0.021 1.00 0.00 H new ATOM 0 HE3 TRP A 8 -2.397 -4.600 3.224 1.00 0.00 H new ATOM 0 HZ2 TRP A 8 2.027 -5.537 1.131 1.00 0.00 H new ATOM 0 HZ3 TRP A 8 -1.211 -6.700 3.689 1.00 0.00 H new ATOM 0 HH2 TRP A 8 0.977 -7.169 2.652 1.00 0.00 H new ATOM 169 N PRO A 9 -3.892 0.577 2.286 1.00 0.00 N ATOM 170 CA PRO A 9 -4.952 1.290 2.898 1.00 0.00 C ATOM 171 C PRO A 9 -5.945 1.800 1.868 1.00 0.00 C ATOM 172 O PRO A 9 -7.152 1.633 2.032 1.00 0.00 O ATOM 173 CB PRO A 9 -4.213 2.410 3.614 1.00 0.00 C ATOM 174 CG PRO A 9 -2.974 1.748 4.087 1.00 0.00 C ATOM 175 CD PRO A 9 -2.598 0.830 2.970 1.00 0.00 C ATOM 0 HA PRO A 9 -5.564 0.690 3.572 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -3.995 3.242 2.944 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -4.796 2.812 4.442 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -2.186 2.474 4.288 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -3.145 1.199 5.013 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -1.871 1.289 2.299 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -2.152 -0.093 3.341 1.00 0.00 H new ATOM 183 N PHE A 10 -5.438 2.374 0.775 1.00 0.00 N ATOM 184 CA PHE A 10 -6.329 2.831 -0.289 1.00 0.00 C ATOM 185 C PHE A 10 -6.531 1.732 -1.329 1.00 0.00 C ATOM 186 O PHE A 10 -7.648 1.270 -1.551 1.00 0.00 O ATOM 187 CB PHE A 10 -5.826 4.082 -1.000 1.00 0.00 C ATOM 188 CG PHE A 10 -4.409 4.477 -0.726 1.00 0.00 C ATOM 189 CD1 PHE A 10 -4.016 4.946 0.517 1.00 0.00 C ATOM 190 CD2 PHE A 10 -3.477 4.416 -1.742 1.00 0.00 C ATOM 191 CE1 PHE A 10 -2.712 5.341 0.737 1.00 0.00 C ATOM 192 CE2 PHE A 10 -2.177 4.803 -1.529 1.00 0.00 C ATOM 193 CZ PHE A 10 -1.789 5.268 -0.287 1.00 0.00 C ATOM 0 H PHE A 10 -4.444 2.530 0.607 1.00 0.00 H new ATOM 0 HA PHE A 10 -7.271 3.078 0.200 1.00 0.00 H new ATOM 0 HB2 PHE A 10 -5.938 3.933 -2.074 1.00 0.00 H new ATOM 0 HB3 PHE A 10 -6.473 4.915 -0.725 1.00 0.00 H new ATOM 0 HD1 PHE A 10 -4.736 5.003 1.320 1.00 0.00 H new ATOM 0 HD2 PHE A 10 -3.774 4.059 -2.717 1.00 0.00 H new ATOM 0 HE1 PHE A 10 -2.414 5.707 1.709 1.00 0.00 H new ATOM 0 HE2 PHE A 10 -1.458 4.744 -2.332 1.00 0.00 H new ATOM 0 HZ PHE A 10 -0.767 5.573 -0.118 1.00 0.00 H new ATOM 203 N LEU A 11 -5.439 1.327 -1.970 1.00 0.00 N ATOM 204 CA LEU A 11 -5.486 0.289 -2.990 1.00 0.00 C ATOM 205 C LEU A 11 -6.226 -0.949 -2.488 1.00 0.00 C ATOM 206 O LEU A 11 -7.193 -1.405 -3.099 1.00 0.00 O ATOM 207 CB LEU A 11 -4.086 -0.104 -3.436 1.00 0.00 C ATOM 208 CG LEU A 11 -3.211 1.012 -4.031 1.00 0.00 C ATOM 209 CD1 LEU A 11 -2.003 0.393 -4.696 1.00 0.00 C ATOM 210 CD2 LEU A 11 -3.993 1.864 -5.021 1.00 0.00 C ATOM 0 H LEU A 11 -4.507 1.705 -1.799 1.00 0.00 H new ATOM 0 HA LEU A 11 -6.028 0.701 -3.841 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -3.562 -0.526 -2.579 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -4.176 -0.898 -4.178 1.00 0.00 H new ATOM 0 HG LEU A 11 -2.886 1.671 -3.226 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -1.378 1.179 -5.120 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -1.429 -0.168 -3.958 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -2.329 -0.279 -5.490 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -3.345 2.643 -5.422 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -4.353 1.236 -5.836 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -4.842 2.324 -4.515 1.00 0.00 H new