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 4.964 -0.662 -1.392 1.00 0.00 N ATOM 68 CA PHE A 4 3.541 -0.879 -1.642 1.00 0.00 C ATOM 69 C PHE A 4 3.173 -2.357 -1.562 1.00 0.00 C ATOM 70 O PHE A 4 3.848 -3.213 -2.133 1.00 0.00 O ATOM 71 CB PHE A 4 3.115 -0.333 -3.006 1.00 0.00 C ATOM 72 CG PHE A 4 4.118 0.587 -3.647 1.00 0.00 C ATOM 73 CD1 PHE A 4 5.279 0.077 -4.208 1.00 0.00 C ATOM 74 CD2 PHE A 4 3.907 1.956 -3.680 1.00 0.00 C ATOM 75 CE1 PHE A 4 6.210 0.913 -4.789 1.00 0.00 C ATOM 76 CE2 PHE A 4 4.836 2.798 -4.262 1.00 0.00 C ATOM 77 CZ PHE A 4 5.989 2.274 -4.816 1.00 0.00 C ATOM 0 HA PHE A 4 3.009 -0.337 -0.860 1.00 0.00 H new ATOM 0 HB2 PHE A 4 2.928 -1.171 -3.677 1.00 0.00 H new ATOM 0 HB3 PHE A 4 2.171 0.201 -2.892 1.00 0.00 H new ATOM 0 HD1 PHE A 4 5.457 -0.988 -4.190 1.00 0.00 H new ATOM 0 HD2 PHE A 4 3.008 2.369 -3.247 1.00 0.00 H new ATOM 0 HE1 PHE A 4 7.110 0.502 -5.222 1.00 0.00 H new ATOM 0 HE2 PHE A 4 4.661 3.864 -4.284 1.00 0.00 H new ATOM 0 HZ PHE A 4 6.717 2.930 -5.270 1.00 0.00 H new ATOM 87 N PRO A 5 2.081 -2.664 -0.847 1.00 0.00 N ATOM 88 CA PRO A 5 1.593 -4.026 -0.680 1.00 0.00 C ATOM 89 C PRO A 5 0.719 -4.468 -1.856 1.00 0.00 C ATOM 90 O PRO A 5 1.229 -4.882 -2.898 1.00 0.00 O ATOM 91 CB PRO A 5 0.788 -3.931 0.620 1.00 0.00 C ATOM 92 CG PRO A 5 0.260 -2.531 0.643 1.00 0.00 C ATOM 93 CD PRO A 5 1.227 -1.687 -0.150 1.00 0.00 C ATOM 0 HA PRO A 5 2.391 -4.768 -0.644 1.00 0.00 H new ATOM 0 HB2 PRO A 5 -0.023 -4.660 0.637 1.00 0.00 H new ATOM 0 HB3 PRO A 5 1.415 -4.131 1.489 1.00 0.00 H new ATOM 0 HG2 PRO A 5 -0.738 -2.487 0.208 1.00 0.00 H new ATOM 0 HG3 PRO A 5 0.178 -2.166 1.667 1.00 0.00 H new ATOM 0 HD2 PRO A 5 0.704 -1.041 -0.856 1.00 0.00 H new ATOM 0 HD3 PRO A 5 1.814 -1.039 0.500 1.00 0.00 H new ATOM 101 N TRP A 6 -0.596 -4.373 -1.679 1.00 0.00 N ATOM 102 CA TRP A 6 -1.555 -4.754 -2.712 1.00 0.00 C ATOM 103 C TRP A 6 -2.964 -4.415 -2.244 1.00 0.00 C ATOM 104 O TRP A 6 -3.806 -3.960 -3.018 1.00 0.00 O ATOM 105 CB TRP A 6 -1.435 -6.246 -3.021 1.00 0.00 C ATOM 106 CG TRP A 6 -1.582 -7.114 -1.809 1.00 0.00 C ATOM 107 CD1 TRP A 6 -0.663 -7.294 -0.814 1.00 0.00 C ATOM 108 CD2 TRP A 6 -2.709 -7.929 -1.468 1.00 0.00 C ATOM 109 NE1 TRP A 6 -1.153 -8.167 0.127 1.00 0.00 N ATOM 110 CE2 TRP A 6 -2.406 -8.572 -0.252 1.00 0.00 C ATOM 111 CE3 TRP A 6 -3.945 -8.176 -2.071 1.00 0.00 C ATOM 112 CZ2 TRP A 6 -3.295 -9.445 0.370 1.00 0.00 C ATOM 113 CZ3 TRP A 6 -4.826 -9.043 -1.452 1.00 0.00 C ATOM 114 CH2 TRP A 6 -4.498 -9.668 -0.243 1.00 0.00 C ATOM 0 H TRP A 6 -1.026 -4.031 -0.819 1.00 0.00 H new ATOM 0 HA TRP A 6 -1.341 -4.200 -3.626 1.00 0.00 H new ATOM 0 HB2 TRP A 6 -2.196 -6.521 -3.751 1.00 0.00 H new ATOM 0 HB3 TRP A 6 -0.466 -6.438 -3.482 1.00 0.00 H new ATOM 0 HD1 TRP A 6 0.306 -6.820 -0.773 1.00 0.00 H new ATOM 0 HE1 TRP A 6 -0.664 -8.465 0.971 1.00 0.00 H new ATOM 0 HE3 TRP A 6 -4.207 -7.698 -3.003 1.00 0.00 H new ATOM 0 HZ2 TRP A 6 -3.044 -9.929 1.303 1.00 0.00 H new ATOM 0 HZ3 TRP A 6 -5.784 -9.242 -1.909 1.00 0.00 H new ATOM 0 HH2 TRP A 6 -5.209 -10.340 0.215 1.00 0.00 H new ATOM 125 N TRP A 7 -3.190 -4.632 -0.956 1.00 0.00 N ATOM 126 CA TRP A 7 -4.469 -4.350 -0.320 1.00 0.00 C ATOM 127 C TRP A 7 -4.635 -2.854 -0.071 1.00 0.00 C ATOM 128 O TRP A 7 -5.624 -2.428 0.525 1.00 0.00 O ATOM 129 CB TRP A 7 -4.535 -5.097 1.019 1.00 0.00 C ATOM 130 CG TRP A 7 -3.305 -4.883 1.861 1.00 0.00 C ATOM 131 CD1 TRP A 7 -2.358 -5.814 2.178 1.00 0.00 C ATOM 132 CD2 TRP A 7 -2.886 -3.660 2.485 1.00 0.00 C ATOM 133 NE1 TRP A 7 -1.367 -5.240 2.940 1.00 0.00 N ATOM 134 CE2 TRP A 7 -1.671 -3.920 3.145 1.00 0.00 C ATOM 135 CE3 TRP A 7 -3.415 -2.370 2.545 1.00 0.00 C ATOM 136 CZ2 TRP A 7 -0.982 -2.933 3.849 1.00 0.00 C ATOM 137 CZ3 TRP A 7 -2.733 -1.397 3.239 1.00 0.00 C ATOM 138 CH2 TRP A 7 -1.529 -1.681 3.881 1.00 0.00 C ATOM 0 H TRP A 7 -2.488 -5.010 -0.320 1.00 0.00 H new ATOM 0 HA TRP A 7 -5.270 -4.681 -0.981 1.00 0.00 H new ATOM 0 HB2 TRP A 7 -5.413 -4.765 1.573 1.00 0.00 H new ATOM 0 HB3 TRP A 7 -4.661 -6.163 0.831 1.00 0.00 H new ATOM 0 HD1 TRP A 7 -2.383 -6.850 1.875 1.00 0.00 H new ATOM 0 HE1 TRP A 7 -0.540 -5.720 3.295 1.00 0.00 H new ATOM 0 HE3 TRP A 7 -4.348 -2.138 2.053 1.00 0.00 H new ATOM 0 HZ2 TRP A 7 -0.050 -3.150 4.350 1.00 0.00 H new ATOM 0 HZ3 TRP A 7 -3.137 -0.397 3.287 1.00 0.00 H new ATOM 0 HH2 TRP A 7 -1.017 -0.894 4.415 1.00 0.00 H new ATOM 149 N TRP A 8 -3.636 -2.068 -0.483 1.00 0.00 N ATOM 150 CA TRP A 8 -3.640 -0.627 -0.258 1.00 0.00 C ATOM 151 C TRP A 8 -4.851 0.074 -0.857 1.00 0.00 C ATOM 152 O TRP A 8 -5.961 -0.457 -0.858 1.00 0.00 O ATOM 153 CB TRP A 8 -2.343 -0.009 -0.791 1.00 0.00 C ATOM 154 CG TRP A 8 -1.927 -0.525 -2.135 1.00 0.00 C ATOM 155 CD1 TRP A 8 -1.068 -1.550 -2.362 1.00 0.00 C ATOM 156 CD2 TRP A 8 -2.306 -0.029 -3.427 1.00 0.00 C ATOM 157 NE1 TRP A 8 -0.909 -1.754 -3.707 1.00 0.00 N ATOM 158 CE2 TRP A 8 -1.654 -0.831 -4.384 1.00 0.00 C ATOM 159 CE3 TRP A 8 -3.138 1.001 -3.871 1.00 0.00 C ATOM 160 CZ2 TRP A 8 -1.806 -0.635 -5.751 1.00 0.00 C ATOM 161 CZ3 TRP A 8 -3.286 1.197 -5.231 1.00 0.00 C ATOM 162 CH2 TRP A 8 -2.624 0.382 -6.157 1.00 0.00 C ATOM 0 H TRP A 8 -2.812 -2.412 -0.976 1.00 0.00 H new ATOM 0 HA TRP A 8 -3.704 -0.478 0.820 1.00 0.00 H new ATOM 0 HB2 TRP A 8 -2.466 1.072 -0.851 1.00 0.00 H new ATOM 0 HB3 TRP A 8 -1.542 -0.199 -0.077 1.00 0.00 H new ATOM 0 HD1 TRP A 8 -0.578 -2.125 -1.590 1.00 0.00 H new ATOM 0 HE1 TRP A 8 -0.329 -2.477 -4.133 1.00 0.00 H new ATOM 0 HE3 TRP A 8 -3.656 1.633 -3.165 1.00 0.00 H new ATOM 0 HZ2 TRP A 8 -1.296 -1.263 -6.467 1.00 0.00 H new ATOM 0 HZ3 TRP A 8 -3.924 1.993 -5.586 1.00 0.00 H new ATOM 0 HH2 TRP A 8 -2.762 0.560 -7.213 1.00 0.00 H new ATOM 173 N ALA A 9 -4.615 1.293 -1.331 1.00 0.00 N ATOM 174 CA ALA A 9 -5.662 2.131 -1.911 1.00 0.00 C ATOM 175 C ALA A 9 -6.461 2.822 -0.812 1.00 0.00 C ATOM 176 O ALA A 9 -7.113 3.839 -1.050 1.00 0.00 O ATOM 177 CB ALA A 9 -6.581 1.328 -2.823 1.00 0.00 C ATOM 0 H ALA A 9 -3.693 1.729 -1.325 1.00 0.00 H new ATOM 0 HA ALA A 9 -5.178 2.893 -2.522 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -7.347 1.984 -3.236 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -5.998 0.894 -3.635 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -7.056 0.531 -2.251 1.00 0.00 H new ATOM 183 N PHE A 10 -6.394 2.266 0.395 1.00 0.00 N ATOM 184 CA PHE A 10 -7.097 2.829 1.539 1.00 0.00 C ATOM 185 C PHE A 10 -6.257 3.921 2.187 1.00 0.00 C ATOM 186 O PHE A 10 -6.721 5.042 2.397 1.00 0.00 O ATOM 187 CB PHE A 10 -7.402 1.729 2.560 1.00 0.00 C ATOM 188 CG PHE A 10 -8.251 2.189 3.714 1.00 0.00 C ATOM 189 CD1 PHE A 10 -9.395 2.943 3.495 1.00 0.00 C ATOM 190 CD2 PHE A 10 -7.908 1.864 5.016 1.00 0.00 C ATOM 191 CE1 PHE A 10 -10.177 3.365 4.553 1.00 0.00 C ATOM 192 CE2 PHE A 10 -8.687 2.283 6.079 1.00 0.00 C ATOM 193 CZ PHE A 10 -9.823 3.034 5.847 1.00 0.00 C ATOM 0 H PHE A 10 -5.858 1.424 0.604 1.00 0.00 H new ATOM 0 HA PHE A 10 -8.035 3.264 1.195 1.00 0.00 H new ATOM 0 HB2 PHE A 10 -7.908 0.907 2.054 1.00 0.00 H new ATOM 0 HB3 PHE A 10 -6.462 1.335 2.947 1.00 0.00 H new ATOM 0 HD1 PHE A 10 -9.678 3.203 2.486 1.00 0.00 H new ATOM 0 HD2 PHE A 10 -7.021 1.276 5.203 1.00 0.00 H new ATOM 0 HE1 PHE A 10 -11.064 3.953 4.369 1.00 0.00 H new ATOM 0 HE2 PHE A 10 -8.408 2.023 7.089 1.00 0.00 H new ATOM 0 HZ PHE A 10 -10.433 3.362 6.676 1.00 0.00 H new ATOM 203 N LEU A 11 -5.012 3.576 2.497 1.00 0.00 N ATOM 204 CA LEU A 11 -4.084 4.507 3.119 1.00 0.00 C ATOM 205 C LEU A 11 -2.980 4.910 2.147 1.00 0.00 C ATOM 206 O LEU A 11 -2.654 6.090 2.017 1.00 0.00 O ATOM 207 CB LEU A 11 -3.475 3.891 4.380 1.00 0.00 C ATOM 208 CG LEU A 11 -2.970 2.450 4.244 1.00 0.00 C ATOM 209 CD1 LEU A 11 -1.979 2.132 5.350 1.00 0.00 C ATOM 210 CD2 LEU A 11 -4.136 1.474 4.290 1.00 0.00 C ATOM 0 H LEU A 11 -4.622 2.649 2.325 1.00 0.00 H new ATOM 0 HA LEU A 11 -4.640 5.402 3.396 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -2.644 4.518 4.702 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -4.222 3.920 5.173 1.00 0.00 H new ATOM 0 HG LEU A 11 -2.467 2.349 3.282 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -1.629 1.106 5.241 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -1.131 2.814 5.286 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -2.465 2.248 6.319 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -3.762 0.455 4.192 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -4.661 1.578 5.240 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -4.823 1.688 3.471 1.00 0.00 H new ATOM 222 N ARG A 12 -2.412 3.921 1.466 1.00 0.00 N ATOM 223 CA ARG A 12 -1.347 4.166 0.501 1.00 0.00 C ATOM 224 C ARG A 12 -1.810 5.119 -0.597 1.00 0.00 C ATOM 225 O ARG A 12 -1.143 6.112 -0.892 1.00 0.00 O ATOM 226 CB ARG A 12 -0.878 2.838 -0.099 1.00 0.00 C ATOM 227 CG ARG A 12 -0.127 2.978 -1.406 1.00 0.00 C ATOM 228 CD ARG A 12 0.679 1.733 -1.727 1.00 0.00 C ATOM 229 NE ARG A 12 1.649 1.427 -0.678 1.00 0.00 N ATOM 230 CZ ARG A 12 2.668 2.222 -0.355 1.00 0.00 C ATOM 231 NH1 ARG A 12 2.864 3.358 -1.010 1.00 0.00 N ATOM 232 NH2 ARG A 12 3.494 1.876 0.623 1.00 0.00 N ATOM 0 H ARG A 12 -2.672 2.940 1.565 1.00 0.00 H new ATOM 0 HA ARG A 12 -0.511 4.638 1.017 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -0.237 2.332 0.623 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -1.746 2.198 -0.258 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -0.834 3.172 -2.213 1.00 0.00 H new ATOM 0 HG3 ARG A 12 0.539 3.839 -1.352 1.00 0.00 H new ATOM 0 HD2 ARG A 12 0.004 0.887 -1.856 1.00 0.00 H new ATOM 0 HD3 ARG A 12 1.200 1.872 -2.674 1.00 0.00 H new ATOM 0 HE ARG A 12 1.540 0.553 -0.163 1.00 0.00 H new ATOM 0 HH11 ARG A 12 2.233 3.627 -1.765 1.00 0.00 H new ATOM 0 HH12 ARG A 12 3.646 3.963 -0.759 1.00 0.00 H new ATOM 0 HH21 ARG A 12 3.349 1.001 1.128 1.00 0.00 H new ATOM 0 HH22 ARG A 12 4.274 2.484 0.871 1.00 0.00 H new