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 -7.789 1.054 -0.154 1.00 0.00 N ATOM 44 CA ARG A 3 -7.366 1.372 1.206 1.00 0.00 C ATOM 45 C ARG A 3 -6.154 0.543 1.624 1.00 0.00 C ATOM 46 O ARG A 3 -5.899 0.361 2.814 1.00 0.00 O ATOM 47 CB ARG A 3 -8.524 1.173 2.196 1.00 0.00 C ATOM 48 CG ARG A 3 -8.992 -0.269 2.338 1.00 0.00 C ATOM 49 CD ARG A 3 -8.292 -0.976 3.488 1.00 0.00 C ATOM 50 NE ARG A 3 -8.748 -2.355 3.645 1.00 0.00 N ATOM 51 CZ ARG A 3 -8.321 -3.169 4.606 1.00 0.00 C ATOM 52 NH1 ARG A 3 -7.424 -2.747 5.488 1.00 0.00 N ATOM 53 NH2 ARG A 3 -8.790 -4.406 4.686 1.00 0.00 N ATOM 0 HA ARG A 3 -7.072 2.421 1.222 1.00 0.00 H new ATOM 0 HB2 ARG A 3 -8.215 1.540 3.175 1.00 0.00 H new ATOM 0 HB3 ARG A 3 -9.367 1.786 1.877 1.00 0.00 H new ATOM 0 HG2 ARG A 3 -10.070 -0.288 2.501 1.00 0.00 H new ATOM 0 HG3 ARG A 3 -8.801 -0.807 1.409 1.00 0.00 H new ATOM 0 HD2 ARG A 3 -7.216 -0.968 3.316 1.00 0.00 H new ATOM 0 HD3 ARG A 3 -8.471 -0.428 4.413 1.00 0.00 H new ATOM 0 HE ARG A 3 -9.433 -2.714 2.980 1.00 0.00 H new ATOM 0 HH11 ARG A 3 -7.060 -1.796 5.430 1.00 0.00 H new ATOM 0 HH12 ARG A 3 -7.098 -3.374 6.224 1.00 0.00 H new ATOM 0 HH21 ARG A 3 -9.479 -4.735 4.010 1.00 0.00 H new ATOM 0 HH22 ARG A 3 -8.462 -5.029 5.424 1.00 0.00 H new ATOM 67 N PHE A 4 -5.387 0.061 0.648 1.00 0.00 N ATOM 68 CA PHE A 4 -4.201 -0.725 0.954 1.00 0.00 C ATOM 69 C PHE A 4 -3.203 -0.697 -0.200 1.00 0.00 C ATOM 70 O PHE A 4 -1.998 -0.687 0.015 1.00 0.00 O ATOM 71 CB PHE A 4 -4.572 -2.173 1.304 1.00 0.00 C ATOM 72 CG PHE A 4 -4.874 -3.047 0.117 1.00 0.00 C ATOM 73 CD1 PHE A 4 -3.853 -3.510 -0.705 1.00 0.00 C ATOM 74 CD2 PHE A 4 -6.177 -3.422 -0.163 1.00 0.00 C ATOM 75 CE1 PHE A 4 -4.136 -4.324 -1.786 1.00 0.00 C ATOM 76 CE2 PHE A 4 -6.462 -4.239 -1.241 1.00 0.00 C ATOM 77 CZ PHE A 4 -5.441 -4.690 -2.053 1.00 0.00 C ATOM 0 H PHE A 4 -5.564 0.200 -0.347 1.00 0.00 H new ATOM 0 HA PHE A 4 -3.727 -0.272 1.824 1.00 0.00 H new ATOM 0 HB2 PHE A 4 -3.752 -2.618 1.867 1.00 0.00 H new ATOM 0 HB3 PHE A 4 -5.441 -2.163 1.961 1.00 0.00 H new ATOM 0 HD1 PHE A 4 -2.830 -3.232 -0.497 1.00 0.00 H new ATOM 0 HD2 PHE A 4 -6.980 -3.072 0.468 1.00 0.00 H new ATOM 0 HE1 PHE A 4 -3.336 -4.674 -2.422 1.00 0.00 H new ATOM 0 HE2 PHE A 4 -7.483 -4.524 -1.448 1.00 0.00 H new ATOM 0 HZ PHE A 4 -5.662 -5.328 -2.896 1.00 0.00 H new ATOM 87 N ALA A 5 -3.708 -0.701 -1.424 1.00 0.00 N ATOM 88 CA ALA A 5 -2.844 -0.695 -2.596 1.00 0.00 C ATOM 89 C ALA A 5 -2.309 0.705 -2.904 1.00 0.00 C ATOM 90 O ALA A 5 -2.425 1.204 -4.024 1.00 0.00 O ATOM 91 CB ALA A 5 -3.591 -1.261 -3.780 1.00 0.00 C ATOM 0 H ALA A 5 -4.707 -0.708 -1.632 1.00 0.00 H new ATOM 0 HA ALA A 5 -1.979 -1.323 -2.385 1.00 0.00 H new ATOM 0 HB1 ALA A 5 -2.942 -1.255 -4.656 1.00 0.00 H new ATOM 0 HB2 ALA A 5 -3.897 -2.284 -3.562 1.00 0.00 H new ATOM 0 HB3 ALA A 5 -4.473 -0.653 -3.978 1.00 0.00 H new ATOM 97 N TRP A 6 -1.718 1.313 -1.892 1.00 0.00 N ATOM 98 CA TRP A 6 -1.134 2.647 -1.983 1.00 0.00 C ATOM 99 C TRP A 6 0.091 2.699 -1.109 1.00 0.00 C ATOM 100 O TRP A 6 1.087 3.346 -1.428 1.00 0.00 O ATOM 101 CB TRP A 6 -2.072 3.706 -1.435 1.00 0.00 C ATOM 102 CG TRP A 6 -2.537 3.362 -0.067 1.00 0.00 C ATOM 103 CD1 TRP A 6 -3.233 2.266 0.321 1.00 0.00 C ATOM 104 CD2 TRP A 6 -2.291 4.114 1.095 1.00 0.00 C ATOM 105 NE1 TRP A 6 -3.400 2.269 1.681 1.00 0.00 N ATOM 106 CE2 TRP A 6 -2.832 3.413 2.181 1.00 0.00 C ATOM 107 CE3 TRP A 6 -1.652 5.315 1.304 1.00 0.00 C ATOM 108 CZ2 TRP A 6 -2.738 3.887 3.482 1.00 0.00 C ATOM 109 CZ3 TRP A 6 -1.559 5.802 2.592 1.00 0.00 C ATOM 110 CH2 TRP A 6 -2.097 5.083 3.670 1.00 0.00 C ATOM 0 H TRP A 6 -1.627 0.891 -0.968 1.00 0.00 H new ATOM 0 HA TRP A 6 -0.919 2.837 -3.035 1.00 0.00 H new ATOM 0 HB2 TRP A 6 -1.564 4.670 -1.417 1.00 0.00 H new ATOM 0 HB3 TRP A 6 -2.931 3.811 -2.097 1.00 0.00 H new ATOM 0 HD1 TRP A 6 -3.603 1.501 -0.345 1.00 0.00 H new ATOM 0 HE1 TRP A 6 -3.866 1.545 2.228 1.00 0.00 H new ATOM 0 HE3 TRP A 6 -1.231 5.866 0.476 1.00 0.00 H new ATOM 0 HZ2 TRP A 6 -3.153 3.335 4.312 1.00 0.00 H new ATOM 0 HZ3 TRP A 6 -1.067 6.746 2.772 1.00 0.00 H new ATOM 0 HH2 TRP A 6 -2.004 5.481 4.670 1.00 0.00 H new ATOM 121 N TRP A 7 -0.032 2.041 0.032 1.00 0.00 N ATOM 122 CA TRP A 7 1.010 2.006 1.005 1.00 0.00 C ATOM 123 C TRP A 7 2.111 1.092 0.591 1.00 0.00 C ATOM 124 O TRP A 7 3.201 1.157 1.132 1.00 0.00 O ATOM 125 CB TRP A 7 0.452 1.616 2.365 1.00 0.00 C ATOM 126 CG TRP A 7 -0.250 0.295 2.399 1.00 0.00 C ATOM 127 CD1 TRP A 7 -1.554 0.092 2.662 1.00 0.00 C ATOM 128 CD2 TRP A 7 0.313 -0.995 2.198 1.00 0.00 C ATOM 129 NE1 TRP A 7 -1.850 -1.245 2.646 1.00 0.00 N ATOM 130 CE2 TRP A 7 -0.715 -1.934 2.360 1.00 0.00 C ATOM 131 CE3 TRP A 7 1.583 -1.445 1.897 1.00 0.00 C ATOM 132 CZ2 TRP A 7 -0.504 -3.293 2.231 1.00 0.00 C ATOM 133 CZ3 TRP A 7 1.800 -2.779 1.766 1.00 0.00 C ATOM 134 CH2 TRP A 7 0.767 -3.700 1.932 1.00 0.00 C ATOM 0 H TRP A 7 -0.867 1.519 0.296 1.00 0.00 H new ATOM 0 HA TRP A 7 1.434 3.007 1.083 1.00 0.00 H new ATOM 0 HB2 TRP A 7 1.270 1.596 3.086 1.00 0.00 H new ATOM 0 HB3 TRP A 7 -0.243 2.389 2.693 1.00 0.00 H new ATOM 0 HD1 TRP A 7 -2.270 0.877 2.859 1.00 0.00 H new ATOM 0 HE1 TRP A 7 -2.768 -1.654 2.820 1.00 0.00 H new ATOM 0 HE3 TRP A 7 2.394 -0.744 1.767 1.00 0.00 H new ATOM 0 HZ2 TRP A 7 -1.307 -4.003 2.361 1.00 0.00 H new ATOM 0 HZ3 TRP A 7 2.792 -3.133 1.529 1.00 0.00 H new ATOM 0 HH2 TRP A 7 0.974 -4.754 1.823 1.00 0.00 H new ATOM 145 N TRP A 8 1.837 0.226 -0.361 1.00 0.00 N ATOM 146 CA TRP A 8 2.863 -0.689 -0.790 1.00 0.00 C ATOM 147 C TRP A 8 4.045 0.099 -1.209 1.00 0.00 C ATOM 148 O TRP A 8 5.165 -0.126 -0.764 1.00 0.00 O ATOM 149 CB TRP A 8 2.459 -1.536 -1.975 1.00 0.00 C ATOM 150 CG TRP A 8 1.262 -2.310 -1.732 1.00 0.00 C ATOM 151 CD1 TRP A 8 0.306 -1.976 -0.887 1.00 0.00 C ATOM 152 CD2 TRP A 8 0.899 -3.516 -2.344 1.00 0.00 C ATOM 153 NE1 TRP A 8 -0.675 -2.937 -0.882 1.00 0.00 N ATOM 154 CE2 TRP A 8 -0.328 -3.905 -1.797 1.00 0.00 C ATOM 155 CE3 TRP A 8 1.508 -4.299 -3.298 1.00 0.00 C ATOM 156 CZ2 TRP A 8 -0.968 -5.077 -2.187 1.00 0.00 C ATOM 157 CZ3 TRP A 8 0.887 -5.456 -3.692 1.00 0.00 C ATOM 158 CH2 TRP A 8 -0.345 -5.844 -3.139 1.00 0.00 C ATOM 0 H TRP A 8 0.940 0.139 -0.838 1.00 0.00 H new ATOM 0 HA TRP A 8 3.062 -1.353 0.051 1.00 0.00 H new ATOM 0 HB2 TRP A 8 2.299 -0.891 -2.839 1.00 0.00 H new ATOM 0 HB3 TRP A 8 3.277 -2.211 -2.228 1.00 0.00 H new ATOM 0 HD1 TRP A 8 0.296 -1.078 -0.287 1.00 0.00 H new ATOM 0 HE1 TRP A 8 -1.514 -2.934 -0.302 1.00 0.00 H new ATOM 0 HE3 TRP A 8 2.455 -4.008 -3.727 1.00 0.00 H new ATOM 0 HZ2 TRP A 8 -1.915 -5.371 -1.759 1.00 0.00 H new ATOM 0 HZ3 TRP A 8 1.353 -6.080 -4.440 1.00 0.00 H new ATOM 0 HH2 TRP A 8 -0.810 -6.762 -3.469 1.00 0.00 H new ATOM 169 N PRO A 9 3.803 1.039 -2.116 1.00 0.00 N ATOM 170 CA PRO A 9 4.842 1.855 -2.628 1.00 0.00 C ATOM 171 C PRO A 9 5.844 2.214 -1.543 1.00 0.00 C ATOM 172 O PRO A 9 7.052 2.071 -1.734 1.00 0.00 O ATOM 173 CB PRO A 9 4.073 3.055 -3.153 1.00 0.00 C ATOM 174 CG PRO A 9 2.851 2.439 -3.723 1.00 0.00 C ATOM 175 CD PRO A 9 2.500 1.358 -2.753 1.00 0.00 C ATOM 0 HA PRO A 9 5.453 1.381 -3.396 1.00 0.00 H new ATOM 0 HB2 PRO A 9 3.836 3.763 -2.358 1.00 0.00 H new ATOM 0 HB3 PRO A 9 4.640 3.600 -3.907 1.00 0.00 H new ATOM 0 HG2 PRO A 9 2.045 3.167 -3.817 1.00 0.00 H new ATOM 0 HG3 PRO A 9 3.035 2.036 -4.719 1.00 0.00 H new ATOM 0 HD2 PRO A 9 1.766 1.696 -2.021 1.00 0.00 H new ATOM 0 HD3 PRO A 9 2.073 0.489 -3.255 1.00 0.00 H new ATOM 183 N PHE A 10 5.341 2.619 -0.377 1.00 0.00 N ATOM 184 CA PHE A 10 6.237 2.914 0.737 1.00 0.00 C ATOM 185 C PHE A 10 6.451 1.669 1.592 1.00 0.00 C ATOM 186 O PHE A 10 7.563 1.151 1.683 1.00 0.00 O ATOM 187 CB PHE A 10 5.732 4.042 1.631 1.00 0.00 C ATOM 188 CG PHE A 10 4.315 4.471 1.416 1.00 0.00 C ATOM 189 CD1 PHE A 10 3.926 5.125 0.259 1.00 0.00 C ATOM 190 CD2 PHE A 10 3.373 4.235 2.398 1.00 0.00 C ATOM 191 CE1 PHE A 10 2.619 5.532 0.089 1.00 0.00 C ATOM 192 CE2 PHE A 10 2.073 4.645 2.240 1.00 0.00 C ATOM 193 CZ PHE A 10 1.690 5.295 1.082 1.00 0.00 C ATOM 0 H PHE A 10 4.348 2.747 -0.183 1.00 0.00 H new ATOM 0 HA PHE A 10 7.176 3.239 0.289 1.00 0.00 H new ATOM 0 HB2 PHE A 10 5.842 3.731 2.670 1.00 0.00 H new ATOM 0 HB3 PHE A 10 6.378 4.908 1.487 1.00 0.00 H new ATOM 0 HD1 PHE A 10 4.652 5.318 -0.517 1.00 0.00 H new ATOM 0 HD2 PHE A 10 3.663 3.721 3.302 1.00 0.00 H new ATOM 0 HE1 PHE A 10 2.323 6.035 -0.820 1.00 0.00 H new ATOM 0 HE2 PHE A 10 1.349 4.460 3.020 1.00 0.00 H new ATOM 0 HZ PHE A 10 0.667 5.617 0.954 1.00 0.00 H new ATOM 203 N LEU A 11 5.373 1.198 2.220 1.00 0.00 N ATOM 204 CA LEU A 11 5.426 0.016 3.074 1.00 0.00 C ATOM 205 C LEU A 11 6.173 -1.126 2.393 1.00 0.00 C ATOM 206 O LEU A 11 7.141 -1.663 2.932 1.00 0.00 O ATOM 207 CB LEU A 11 4.029 -0.443 3.455 1.00 0.00 C ATOM 208 CG LEU A 11 3.164 0.567 4.223 1.00 0.00 C ATOM 209 CD1 LEU A 11 1.945 -0.136 4.773 1.00 0.00 C ATOM 210 CD2 LEU A 11 3.952 1.231 5.343 1.00 0.00 C ATOM 0 H LEU A 11 4.448 1.622 2.151 1.00 0.00 H new ATOM 0 HA LEU A 11 5.966 0.295 3.979 1.00 0.00 H new ATOM 0 HB2 LEU A 11 3.501 -0.722 2.543 1.00 0.00 H new ATOM 0 HB3 LEU A 11 4.119 -1.345 4.060 1.00 0.00 H new ATOM 0 HG LEU A 11 2.850 1.353 3.536 1.00 0.00 H new ATOM 0 HD11 LEU A 11 1.329 0.578 5.319 1.00 0.00 H new ATOM 0 HD12 LEU A 11 1.368 -0.560 3.951 1.00 0.00 H new ATOM 0 HD13 LEU A 11 2.258 -0.934 5.446 1.00 0.00 H new ATOM 0 HD21 LEU A 11 3.312 1.940 5.867 1.00 0.00 H new ATOM 0 HD22 LEU A 11 4.301 0.471 6.042 1.00 0.00 H new ATOM 0 HD23 LEU A 11 4.809 1.758 4.922 1.00 0.00 H new