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 -4.904 1.437 0.690 1.00 0.00 N ATOM 68 CA PHE A 4 -3.593 0.894 1.006 1.00 0.00 C ATOM 69 C PHE A 4 -3.656 -0.624 1.150 1.00 0.00 C ATOM 70 O PHE A 4 -4.582 -1.168 1.752 1.00 0.00 O ATOM 71 CB PHE A 4 -3.018 1.530 2.274 1.00 0.00 C ATOM 72 CG PHE A 4 -3.856 1.332 3.509 1.00 0.00 C ATOM 73 CD1 PHE A 4 -3.822 0.136 4.210 1.00 0.00 C ATOM 74 CD2 PHE A 4 -4.668 2.353 3.977 1.00 0.00 C ATOM 75 CE1 PHE A 4 -4.585 -0.039 5.349 1.00 0.00 C ATOM 76 CE2 PHE A 4 -5.432 2.184 5.116 1.00 0.00 C ATOM 77 CZ PHE A 4 -5.391 0.986 5.803 1.00 0.00 C ATOM 0 HA PHE A 4 -2.927 1.135 0.178 1.00 0.00 H new ATOM 0 HB2 PHE A 4 -2.026 1.117 2.454 1.00 0.00 H new ATOM 0 HB3 PHE A 4 -2.892 2.599 2.104 1.00 0.00 H new ATOM 0 HD1 PHE A 4 -3.191 -0.669 3.862 1.00 0.00 H new ATOM 0 HD2 PHE A 4 -4.704 3.292 3.445 1.00 0.00 H new ATOM 0 HE1 PHE A 4 -4.551 -0.977 5.884 1.00 0.00 H new ATOM 0 HE2 PHE A 4 -6.061 2.988 5.469 1.00 0.00 H new ATOM 0 HZ PHE A 4 -5.988 0.852 6.693 1.00 0.00 H new ATOM 87 N PRO A 5 -2.665 -1.324 0.584 1.00 0.00 N ATOM 88 CA PRO A 5 -2.592 -2.777 0.635 1.00 0.00 C ATOM 89 C PRO A 5 -2.025 -3.272 1.968 1.00 0.00 C ATOM 90 O PRO A 5 -2.741 -3.336 2.968 1.00 0.00 O ATOM 91 CB PRO A 5 -1.668 -3.116 -0.541 1.00 0.00 C ATOM 92 CG PRO A 5 -0.776 -1.925 -0.693 1.00 0.00 C ATOM 93 CD PRO A 5 -1.537 -0.737 -0.155 1.00 0.00 C ATOM 0 HA PRO A 5 -3.568 -3.257 0.562 1.00 0.00 H new ATOM 0 HB2 PRO A 5 -1.090 -4.018 -0.341 1.00 0.00 H new ATOM 0 HB3 PRO A 5 -2.239 -3.299 -1.451 1.00 0.00 H new ATOM 0 HG2 PRO A 5 0.155 -2.067 -0.145 1.00 0.00 H new ATOM 0 HG3 PRO A 5 -0.510 -1.772 -1.739 1.00 0.00 H new ATOM 0 HD2 PRO A 5 -0.911 -0.127 0.496 1.00 0.00 H new ATOM 0 HD3 PRO A 5 -1.884 -0.090 -0.961 1.00 0.00 H new ATOM 101 N TRP A 6 -0.741 -3.615 1.972 1.00 0.00 N ATOM 102 CA TRP A 6 -0.067 -4.101 3.173 1.00 0.00 C ATOM 103 C TRP A 6 1.415 -4.290 2.881 1.00 0.00 C ATOM 104 O TRP A 6 2.276 -4.005 3.714 1.00 0.00 O ATOM 105 CB TRP A 6 -0.698 -5.413 3.640 1.00 0.00 C ATOM 106 CG TRP A 6 -0.741 -6.464 2.572 1.00 0.00 C ATOM 107 CD1 TRP A 6 -1.572 -6.498 1.488 1.00 0.00 C ATOM 108 CD2 TRP A 6 0.071 -7.640 2.493 1.00 0.00 C ATOM 109 NE1 TRP A 6 -1.318 -7.618 0.735 1.00 0.00 N ATOM 110 CE2 TRP A 6 -0.316 -8.337 1.333 1.00 0.00 C ATOM 111 CE3 TRP A 6 1.090 -8.170 3.289 1.00 0.00 C ATOM 112 CZ2 TRP A 6 0.282 -9.536 0.951 1.00 0.00 C ATOM 113 CZ3 TRP A 6 1.682 -9.360 2.909 1.00 0.00 C ATOM 114 CH2 TRP A 6 1.276 -10.031 1.749 1.00 0.00 C ATOM 0 H TRP A 6 -0.141 -3.565 1.149 1.00 0.00 H new ATOM 0 HA TRP A 6 -0.179 -3.368 3.972 1.00 0.00 H new ATOM 0 HB2 TRP A 6 -0.137 -5.795 4.493 1.00 0.00 H new ATOM 0 HB3 TRP A 6 -1.712 -5.217 3.988 1.00 0.00 H new ATOM 0 HD1 TRP A 6 -2.319 -5.753 1.257 1.00 0.00 H new ATOM 0 HE1 TRP A 6 -1.797 -7.873 -0.129 1.00 0.00 H new ATOM 0 HE3 TRP A 6 1.409 -7.659 4.185 1.00 0.00 H new ATOM 0 HZ2 TRP A 6 -0.028 -10.056 0.057 1.00 0.00 H new ATOM 0 HZ3 TRP A 6 2.470 -9.779 3.517 1.00 0.00 H new ATOM 0 HH2 TRP A 6 1.758 -10.959 1.479 1.00 0.00 H new ATOM 125 N TRP A 7 1.689 -4.758 1.673 1.00 0.00 N ATOM 126 CA TRP A 7 3.048 -4.986 1.203 1.00 0.00 C ATOM 127 C TRP A 7 3.696 -3.677 0.765 1.00 0.00 C ATOM 128 O TRP A 7 4.810 -3.679 0.241 1.00 0.00 O ATOM 129 CB TRP A 7 3.004 -5.950 0.011 1.00 0.00 C ATOM 130 CG TRP A 7 1.991 -5.538 -1.023 1.00 0.00 C ATOM 131 CD1 TRP A 7 0.832 -6.189 -1.335 1.00 0.00 C ATOM 132 CD2 TRP A 7 2.037 -4.379 -1.871 1.00 0.00 C ATOM 133 NE1 TRP A 7 0.148 -5.497 -2.307 1.00 0.00 N ATOM 134 CE2 TRP A 7 0.869 -4.386 -2.654 1.00 0.00 C ATOM 135 CE3 TRP A 7 2.948 -3.333 -2.041 1.00 0.00 C ATOM 136 CZ2 TRP A 7 0.593 -3.387 -3.586 1.00 0.00 C ATOM 137 CZ3 TRP A 7 2.674 -2.347 -2.960 1.00 0.00 C ATOM 138 CH2 TRP A 7 1.507 -2.377 -3.722 1.00 0.00 C ATOM 0 H TRP A 7 0.971 -4.992 0.987 1.00 0.00 H new ATOM 0 HA TRP A 7 3.637 -5.410 2.016 1.00 0.00 H new ATOM 0 HB2 TRP A 7 3.991 -5.999 -0.450 1.00 0.00 H new ATOM 0 HB3 TRP A 7 2.769 -6.953 0.367 1.00 0.00 H new ATOM 0 HD1 TRP A 7 0.501 -7.113 -0.884 1.00 0.00 H new ATOM 0 HE1 TRP A 7 -0.751 -5.768 -2.705 1.00 0.00 H new ATOM 0 HE3 TRP A 7 3.856 -3.299 -1.458 1.00 0.00 H new ATOM 0 HZ2 TRP A 7 -0.309 -3.409 -4.179 1.00 0.00 H new ATOM 0 HZ3 TRP A 7 3.375 -1.536 -3.094 1.00 0.00 H new ATOM 0 HH2 TRP A 7 1.320 -1.587 -4.434 1.00 0.00 H new ATOM 149 N TRP A 8 2.969 -2.569 0.931 1.00 0.00 N ATOM 150 CA TRP A 8 3.443 -1.262 0.502 1.00 0.00 C ATOM 151 C TRP A 8 4.758 -0.860 1.149 1.00 0.00 C ATOM 152 O TRP A 8 5.649 -1.684 1.353 1.00 0.00 O ATOM 153 CB TRP A 8 2.365 -0.203 0.756 1.00 0.00 C ATOM 154 CG TRP A 8 1.675 -0.334 2.080 1.00 0.00 C ATOM 155 CD1 TRP A 8 0.501 -0.977 2.309 1.00 0.00 C ATOM 156 CD2 TRP A 8 2.082 0.213 3.341 1.00 0.00 C ATOM 157 NE1 TRP A 8 0.160 -0.893 3.633 1.00 0.00 N ATOM 158 CE2 TRP A 8 1.112 -0.165 4.288 1.00 0.00 C ATOM 159 CE3 TRP A 8 3.172 0.974 3.766 1.00 0.00 C ATOM 160 CZ2 TRP A 8 1.198 0.193 5.627 1.00 0.00 C ATOM 161 CZ3 TRP A 8 3.256 1.332 5.098 1.00 0.00 C ATOM 162 CH2 TRP A 8 2.274 0.940 6.014 1.00 0.00 C ATOM 0 H TRP A 8 2.045 -2.558 1.363 1.00 0.00 H new ATOM 0 HA TRP A 8 3.641 -1.331 -0.568 1.00 0.00 H new ATOM 0 HB2 TRP A 8 2.820 0.785 0.692 1.00 0.00 H new ATOM 0 HB3 TRP A 8 1.620 -0.262 -0.037 1.00 0.00 H new ATOM 0 HD1 TRP A 8 -0.082 -1.483 1.554 1.00 0.00 H new ATOM 0 HE1 TRP A 8 -0.669 -1.306 4.060 1.00 0.00 H new ATOM 0 HE3 TRP A 8 3.936 1.278 3.066 1.00 0.00 H new ATOM 0 HZ2 TRP A 8 0.442 -0.108 6.337 1.00 0.00 H new ATOM 0 HZ3 TRP A 8 4.093 1.924 5.437 1.00 0.00 H new ATOM 0 HH2 TRP A 8 2.369 1.234 7.049 1.00 0.00 H new ATOM 173 N ALA A 9 4.879 0.428 1.429 1.00 0.00 N ATOM 174 CA ALA A 9 6.093 0.980 2.012 1.00 0.00 C ATOM 175 C ALA A 9 7.212 0.958 0.977 1.00 0.00 C ATOM 176 O ALA A 9 8.366 0.661 1.287 1.00 0.00 O ATOM 177 CB ALA A 9 6.498 0.215 3.266 1.00 0.00 C ATOM 0 H ALA A 9 4.145 1.116 1.260 1.00 0.00 H new ATOM 0 HA ALA A 9 5.902 2.012 2.307 1.00 0.00 H new ATOM 0 HB1 ALA A 9 7.408 0.650 3.679 1.00 0.00 H new ATOM 0 HB2 ALA A 9 5.698 0.277 4.004 1.00 0.00 H new ATOM 0 HB3 ALA A 9 6.678 -0.830 3.013 1.00 0.00 H new ATOM 183 N PHE A 10 6.842 1.276 -0.260 1.00 0.00 N ATOM 184 CA PHE A 10 7.778 1.302 -1.377 1.00 0.00 C ATOM 185 C PHE A 10 7.285 2.280 -2.435 1.00 0.00 C ATOM 186 O PHE A 10 8.017 3.171 -2.869 1.00 0.00 O ATOM 187 CB PHE A 10 7.914 -0.098 -1.985 1.00 0.00 C ATOM 188 CG PHE A 10 8.905 -0.179 -3.115 1.00 0.00 C ATOM 189 CD1 PHE A 10 10.148 0.428 -3.015 1.00 0.00 C ATOM 190 CD2 PHE A 10 8.593 -0.867 -4.277 1.00 0.00 C ATOM 191 CE1 PHE A 10 11.059 0.350 -4.052 1.00 0.00 C ATOM 192 CE2 PHE A 10 9.500 -0.948 -5.317 1.00 0.00 C ATOM 193 CZ PHE A 10 10.734 -0.339 -5.204 1.00 0.00 C ATOM 0 H PHE A 10 5.886 1.523 -0.515 1.00 0.00 H new ATOM 0 HA PHE A 10 8.754 1.624 -1.015 1.00 0.00 H new ATOM 0 HB2 PHE A 10 8.212 -0.796 -1.203 1.00 0.00 H new ATOM 0 HB3 PHE A 10 6.938 -0.423 -2.347 1.00 0.00 H new ATOM 0 HD1 PHE A 10 10.407 0.968 -2.116 1.00 0.00 H new ATOM 0 HD2 PHE A 10 7.629 -1.346 -4.371 1.00 0.00 H new ATOM 0 HE1 PHE A 10 12.024 0.827 -3.961 1.00 0.00 H new ATOM 0 HE2 PHE A 10 9.244 -1.487 -6.217 1.00 0.00 H new ATOM 0 HZ PHE A 10 11.444 -0.401 -6.015 1.00 0.00 H new ATOM 203 N LEU A 11 6.027 2.113 -2.824 1.00 0.00 N ATOM 204 CA LEU A 11 5.399 2.982 -3.809 1.00 0.00 C ATOM 205 C LEU A 11 4.304 3.803 -3.142 1.00 0.00 C ATOM 206 O LEU A 11 4.032 4.940 -3.528 1.00 0.00 O ATOM 207 CB LEU A 11 4.836 2.156 -4.975 1.00 0.00 C ATOM 208 CG LEU A 11 3.862 1.032 -4.595 1.00 0.00 C ATOM 209 CD1 LEU A 11 2.478 1.587 -4.286 1.00 0.00 C ATOM 210 CD2 LEU A 11 3.785 -0.002 -5.708 1.00 0.00 C ATOM 0 H LEU A 11 5.418 1.376 -2.468 1.00 0.00 H new ATOM 0 HA LEU A 11 6.147 3.663 -4.215 1.00 0.00 H new ATOM 0 HB2 LEU A 11 4.328 2.833 -5.662 1.00 0.00 H new ATOM 0 HB3 LEU A 11 5.672 1.717 -5.520 1.00 0.00 H new ATOM 0 HG LEU A 11 4.239 0.548 -3.694 1.00 0.00 H new ATOM 0 HD11 LEU A 11 1.809 0.769 -4.020 1.00 0.00 H new ATOM 0 HD12 LEU A 11 2.544 2.287 -3.453 1.00 0.00 H new ATOM 0 HD13 LEU A 11 2.089 2.103 -5.164 1.00 0.00 H new ATOM 0 HD21 LEU A 11 3.090 -0.792 -5.423 1.00 0.00 H new ATOM 0 HD22 LEU A 11 3.436 0.475 -6.624 1.00 0.00 H new ATOM 0 HD23 LEU A 11 4.773 -0.431 -5.875 1.00 0.00 H new ATOM 222 N ARG A 12 3.682 3.205 -2.131 1.00 0.00 N ATOM 223 CA ARG A 12 2.615 3.852 -1.384 1.00 0.00 C ATOM 224 C ARG A 12 3.151 5.023 -0.560 1.00 0.00 C ATOM 225 O ARG A 12 2.742 6.166 -0.760 1.00 0.00 O ATOM 226 CB ARG A 12 1.919 2.816 -0.495 1.00 0.00 C ATOM 227 CG ARG A 12 1.097 3.403 0.633 1.00 0.00 C ATOM 228 CD ARG A 12 -0.090 2.523 0.970 1.00 0.00 C ATOM 229 NE ARG A 12 -0.943 2.307 -0.197 1.00 0.00 N ATOM 230 CZ ARG A 12 -1.625 3.274 -0.805 1.00 0.00 C ATOM 231 NH1 ARG A 12 -1.588 4.514 -0.336 1.00 0.00 N ATOM 232 NH2 ARG A 12 -2.351 2.999 -1.880 1.00 0.00 N ATOM 0 H ARG A 12 3.904 2.263 -1.809 1.00 0.00 H new ATOM 0 HA ARG A 12 1.887 4.262 -2.084 1.00 0.00 H new ATOM 0 HB2 ARG A 12 1.270 2.200 -1.117 1.00 0.00 H new ATOM 0 HB3 ARG A 12 2.674 2.155 -0.070 1.00 0.00 H new ATOM 0 HG2 ARG A 12 1.724 3.525 1.516 1.00 0.00 H new ATOM 0 HG3 ARG A 12 0.747 4.396 0.351 1.00 0.00 H new ATOM 0 HD2 ARG A 12 0.263 1.563 1.347 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -0.672 2.985 1.767 1.00 0.00 H new ATOM 0 HE ARG A 12 -1.020 1.360 -0.567 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -1.035 4.729 0.494 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -2.112 5.253 -0.805 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -2.387 2.046 -2.241 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -2.874 3.741 -2.346 1.00 0.00 H new