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 -7.705 -1.139 0.131 1.00 0.00 N ATOM 44 CA ARG A 3 -7.324 -1.144 -1.278 1.00 0.00 C ATOM 45 C ARG A 3 -6.168 -0.181 -1.544 1.00 0.00 C ATOM 46 O ARG A 3 -5.964 0.257 -2.677 1.00 0.00 O ATOM 47 CB ARG A 3 -8.531 -0.802 -2.166 1.00 0.00 C ATOM 48 CG ARG A 3 -9.143 0.567 -1.897 1.00 0.00 C ATOM 49 CD ARG A 3 -8.421 1.669 -2.656 1.00 0.00 C ATOM 50 NE ARG A 3 -8.921 2.996 -2.303 1.00 0.00 N ATOM 51 CZ ARG A 3 -8.450 4.124 -2.828 1.00 0.00 C ATOM 52 NH1 ARG A 3 -7.472 4.085 -3.724 1.00 0.00 N ATOM 53 NH2 ARG A 3 -8.959 5.292 -2.460 1.00 0.00 N ATOM 0 HA ARG A 3 -6.984 -2.149 -1.529 1.00 0.00 H new ATOM 0 HB2 ARG A 3 -8.223 -0.850 -3.211 1.00 0.00 H new ATOM 0 HB3 ARG A 3 -9.298 -1.563 -2.024 1.00 0.00 H new ATOM 0 HG2 ARG A 3 -10.195 0.557 -2.184 1.00 0.00 H new ATOM 0 HG3 ARG A 3 -9.106 0.778 -0.828 1.00 0.00 H new ATOM 0 HD2 ARG A 3 -7.353 1.616 -2.444 1.00 0.00 H new ATOM 0 HD3 ARG A 3 -8.541 1.510 -3.728 1.00 0.00 H new ATOM 0 HE ARG A 3 -9.672 3.061 -1.616 1.00 0.00 H new ATOM 0 HH11 ARG A 3 -7.079 3.189 -4.012 1.00 0.00 H new ATOM 0 HH12 ARG A 3 -7.113 4.951 -4.125 1.00 0.00 H new ATOM 0 HH21 ARG A 3 -9.713 5.326 -1.774 1.00 0.00 H new ATOM 0 HH22 ARG A 3 -8.597 6.156 -2.863 1.00 0.00 H new ATOM 67 N PHE A 4 -5.392 0.128 -0.507 1.00 0.00 N ATOM 68 CA PHE A 4 -4.255 1.023 -0.665 1.00 0.00 C ATOM 69 C PHE A 4 -3.204 0.778 0.414 1.00 0.00 C ATOM 70 O PHE A 4 -2.013 0.839 0.145 1.00 0.00 O ATOM 71 CB PHE A 4 -4.704 2.493 -0.652 1.00 0.00 C ATOM 72 CG PHE A 4 -4.893 3.076 0.722 1.00 0.00 C ATOM 73 CD1 PHE A 4 -3.797 3.454 1.488 1.00 0.00 C ATOM 74 CD2 PHE A 4 -6.163 3.260 1.241 1.00 0.00 C ATOM 75 CE1 PHE A 4 -3.970 3.999 2.746 1.00 0.00 C ATOM 76 CE2 PHE A 4 -6.342 3.807 2.497 1.00 0.00 C ATOM 77 CZ PHE A 4 -5.244 4.177 3.251 1.00 0.00 C ATOM 0 H PHE A 4 -5.530 -0.225 0.440 1.00 0.00 H new ATOM 0 HA PHE A 4 -3.803 0.810 -1.634 1.00 0.00 H new ATOM 0 HB2 PHE A 4 -3.966 3.090 -1.188 1.00 0.00 H new ATOM 0 HB3 PHE A 4 -5.642 2.578 -1.201 1.00 0.00 H new ATOM 0 HD1 PHE A 4 -2.800 3.320 1.096 1.00 0.00 H new ATOM 0 HD2 PHE A 4 -7.025 2.972 0.657 1.00 0.00 H new ATOM 0 HE1 PHE A 4 -3.111 4.286 3.334 1.00 0.00 H new ATOM 0 HE2 PHE A 4 -7.339 3.945 2.889 1.00 0.00 H new ATOM 0 HZ PHE A 4 -5.382 4.605 4.233 1.00 0.00 H new ATOM 87 N ALA A 5 -3.646 0.512 1.635 1.00 0.00 N ATOM 88 CA ALA A 5 -2.723 0.277 2.741 1.00 0.00 C ATOM 89 C ALA A 5 -2.133 -1.134 2.709 1.00 0.00 C ATOM 90 O ALA A 5 -2.200 -1.878 3.688 1.00 0.00 O ATOM 91 CB ALA A 5 -3.418 0.535 4.056 1.00 0.00 C ATOM 0 H ALA A 5 -4.633 0.453 1.886 1.00 0.00 H new ATOM 0 HA ALA A 5 -1.891 0.972 2.632 1.00 0.00 H new ATOM 0 HB1 ALA A 5 -2.722 0.357 4.876 1.00 0.00 H new ATOM 0 HB2 ALA A 5 -3.762 1.569 4.089 1.00 0.00 H new ATOM 0 HB3 ALA A 5 -4.272 -0.135 4.153 1.00 0.00 H new ATOM 97 N TRP A 6 -1.552 -1.476 1.574 1.00 0.00 N ATOM 98 CA TRP A 6 -0.924 -2.773 1.353 1.00 0.00 C ATOM 99 C TRP A 6 0.262 -2.581 0.443 1.00 0.00 C ATOM 100 O TRP A 6 1.308 -3.207 0.603 1.00 0.00 O ATOM 101 CB TRP A 6 -1.866 -3.726 0.634 1.00 0.00 C ATOM 102 CG TRP A 6 -2.412 -3.114 -0.605 1.00 0.00 C ATOM 103 CD1 TRP A 6 -3.144 -1.980 -0.712 1.00 0.00 C ATOM 104 CD2 TRP A 6 -2.228 -3.598 -1.913 1.00 0.00 C ATOM 105 NE1 TRP A 6 -3.389 -1.697 -2.029 1.00 0.00 N ATOM 106 CE2 TRP A 6 -2.843 -2.695 -2.792 1.00 0.00 C ATOM 107 CE3 TRP A 6 -1.587 -4.711 -2.411 1.00 0.00 C ATOM 108 CZ2 TRP A 6 -2.826 -2.878 -4.165 1.00 0.00 C ATOM 109 CZ3 TRP A 6 -1.570 -4.909 -3.777 1.00 0.00 C ATOM 110 CH2 TRP A 6 -2.184 -3.990 -4.643 1.00 0.00 C ATOM 0 H TRP A 6 -1.500 -0.855 0.767 1.00 0.00 H new ATOM 0 HA TRP A 6 -0.647 -3.183 2.324 1.00 0.00 H new ATOM 0 HB2 TRP A 6 -1.336 -4.645 0.385 1.00 0.00 H new ATOM 0 HB3 TRP A 6 -2.686 -4.000 1.298 1.00 0.00 H new ATOM 0 HD1 TRP A 6 -3.486 -1.384 0.122 1.00 0.00 H new ATOM 0 HE1 TRP A 6 -3.892 -0.883 -2.382 1.00 0.00 H new ATOM 0 HE3 TRP A 6 -1.108 -5.414 -1.746 1.00 0.00 H new ATOM 0 HZ2 TRP A 6 -3.300 -2.173 -4.832 1.00 0.00 H new ATOM 0 HZ3 TRP A 6 -1.079 -5.780 -4.184 1.00 0.00 H new ATOM 0 HH2 TRP A 6 -2.149 -4.163 -5.708 1.00 0.00 H new ATOM 121 N TRP A 7 0.054 -1.723 -0.546 1.00 0.00 N ATOM 122 CA TRP A 7 1.051 -1.431 -1.529 1.00 0.00 C ATOM 123 C TRP A 7 2.145 -0.597 -0.966 1.00 0.00 C ATOM 124 O TRP A 7 3.201 -0.491 -1.557 1.00 0.00 O ATOM 125 CB TRP A 7 0.424 -0.762 -2.742 1.00 0.00 C ATOM 126 CG TRP A 7 -0.305 0.509 -2.443 1.00 0.00 C ATOM 127 CD1 TRP A 7 -1.625 0.718 -2.599 1.00 0.00 C ATOM 128 CD2 TRP A 7 0.235 1.737 -1.962 1.00 0.00 C ATOM 129 NE1 TRP A 7 -1.956 2.001 -2.258 1.00 0.00 N ATOM 130 CE2 TRP A 7 -0.828 2.647 -1.861 1.00 0.00 C ATOM 131 CE3 TRP A 7 1.509 2.156 -1.610 1.00 0.00 C ATOM 132 CZ2 TRP A 7 -0.655 3.946 -1.422 1.00 0.00 C ATOM 133 CZ3 TRP A 7 1.683 3.434 -1.172 1.00 0.00 C ATOM 134 CH2 TRP A 7 0.611 4.326 -1.079 1.00 0.00 C ATOM 0 H TRP A 7 -0.821 -1.215 -0.677 1.00 0.00 H new ATOM 0 HA TRP A 7 1.493 -2.375 -1.847 1.00 0.00 H new ATOM 0 HB2 TRP A 7 1.207 -0.554 -3.471 1.00 0.00 H new ATOM 0 HB3 TRP A 7 -0.269 -1.462 -3.209 1.00 0.00 H new ATOM 0 HD1 TRP A 7 -2.327 -0.025 -2.946 1.00 0.00 H new ATOM 0 HE1 TRP A 7 -2.892 2.405 -2.295 1.00 0.00 H new ATOM 0 HE3 TRP A 7 2.349 1.481 -1.682 1.00 0.00 H new ATOM 0 HZ2 TRP A 7 -1.486 4.632 -1.353 1.00 0.00 H new ATOM 0 HZ3 TRP A 7 2.672 3.765 -0.890 1.00 0.00 H new ATOM 0 HH2 TRP A 7 0.787 5.333 -0.730 1.00 0.00 H new ATOM 145 N TRP A 8 1.906 0.013 0.166 1.00 0.00 N ATOM 146 CA TRP A 8 2.930 0.845 0.734 1.00 0.00 C ATOM 147 C TRP A 8 4.145 0.026 0.981 1.00 0.00 C ATOM 148 O TRP A 8 5.246 0.352 0.543 1.00 0.00 O ATOM 149 CB TRP A 8 2.536 1.448 2.061 1.00 0.00 C ATOM 150 CG TRP A 8 1.314 2.218 2.003 1.00 0.00 C ATOM 151 CD1 TRP A 8 0.187 1.868 1.392 1.00 0.00 C ATOM 152 CD2 TRP A 8 1.117 3.464 2.587 1.00 0.00 C ATOM 153 NE1 TRP A 8 -0.741 2.868 1.531 1.00 0.00 N ATOM 154 CE2 TRP A 8 -0.180 3.875 2.283 1.00 0.00 C ATOM 155 CE3 TRP A 8 1.941 4.261 3.335 1.00 0.00 C ATOM 156 CZ2 TRP A 8 -0.682 5.097 2.720 1.00 0.00 C ATOM 157 CZ3 TRP A 8 1.466 5.466 3.773 1.00 0.00 C ATOM 158 CH2 TRP A 8 0.160 5.886 3.465 1.00 0.00 C ATOM 0 H TRP A 8 1.038 -0.048 0.698 1.00 0.00 H new ATOM 0 HA TRP A 8 3.102 1.650 0.019 1.00 0.00 H new ATOM 0 HB2 TRP A 8 2.419 0.650 2.794 1.00 0.00 H new ATOM 0 HB3 TRP A 8 3.344 2.089 2.414 1.00 0.00 H new ATOM 0 HD1 TRP A 8 0.027 0.938 0.866 1.00 0.00 H new ATOM 0 HE1 TRP A 8 -1.685 2.866 1.144 1.00 0.00 H new ATOM 0 HE3 TRP A 8 2.946 3.945 3.574 1.00 0.00 H new ATOM 0 HZ2 TRP A 8 -1.688 5.411 2.484 1.00 0.00 H new ATOM 0 HZ3 TRP A 8 2.104 6.105 4.365 1.00 0.00 H new ATOM 0 HH2 TRP A 8 -0.187 6.845 3.820 1.00 0.00 H new ATOM 169 N PRO A 9 3.950 -1.046 1.743 1.00 0.00 N ATOM 170 CA PRO A 9 5.018 -1.915 2.108 1.00 0.00 C ATOM 171 C PRO A 9 5.968 -2.179 0.948 1.00 0.00 C ATOM 172 O PRO A 9 7.185 -2.132 1.122 1.00 0.00 O ATOM 173 CB PRO A 9 4.277 -3.159 2.579 1.00 0.00 C ATOM 174 CG PRO A 9 3.075 -2.595 3.243 1.00 0.00 C ATOM 175 CD PRO A 9 2.668 -1.469 2.361 1.00 0.00 C ATOM 0 HA PRO A 9 5.678 -1.505 2.872 1.00 0.00 H new ATOM 0 HB2 PRO A 9 4.011 -3.811 1.747 1.00 0.00 H new ATOM 0 HB3 PRO A 9 4.879 -3.752 3.268 1.00 0.00 H new ATOM 0 HG2 PRO A 9 2.283 -3.338 3.332 1.00 0.00 H new ATOM 0 HG3 PRO A 9 3.302 -2.249 4.252 1.00 0.00 H new ATOM 0 HD2 PRO A 9 1.944 -1.786 1.611 1.00 0.00 H new ATOM 0 HD3 PRO A 9 2.207 -0.660 2.927 1.00 0.00 H new ATOM 183 N PHE A 10 5.422 -2.411 -0.245 1.00 0.00 N ATOM 184 CA PHE A 10 6.275 -2.621 -1.412 1.00 0.00 C ATOM 185 C PHE A 10 6.502 -1.313 -2.163 1.00 0.00 C ATOM 186 O PHE A 10 7.639 -0.901 -2.383 1.00 0.00 O ATOM 187 CB PHE A 10 5.696 -3.623 -2.396 1.00 0.00 C ATOM 188 CG PHE A 10 4.344 -4.158 -2.064 1.00 0.00 C ATOM 189 CD1 PHE A 10 4.162 -5.103 -1.069 1.00 0.00 C ATOM 190 CD2 PHE A 10 3.250 -3.718 -2.773 1.00 0.00 C ATOM 191 CE1 PHE A 10 2.901 -5.593 -0.791 1.00 0.00 C ATOM 192 CE2 PHE A 10 1.999 -4.204 -2.511 1.00 0.00 C ATOM 193 CZ PHE A 10 1.815 -5.145 -1.517 1.00 0.00 C ATOM 0 H PHE A 10 4.419 -2.458 -0.427 1.00 0.00 H new ATOM 0 HA PHE A 10 7.213 -3.014 -1.020 1.00 0.00 H new ATOM 0 HB2 PHE A 10 5.648 -3.152 -3.378 1.00 0.00 H new ATOM 0 HB3 PHE A 10 6.387 -4.462 -2.479 1.00 0.00 H new ATOM 0 HD1 PHE A 10 5.012 -5.460 -0.506 1.00 0.00 H new ATOM 0 HD2 PHE A 10 3.381 -2.978 -3.548 1.00 0.00 H new ATOM 0 HE1 PHE A 10 2.765 -6.324 -0.008 1.00 0.00 H new ATOM 0 HE2 PHE A 10 1.153 -3.851 -3.082 1.00 0.00 H new ATOM 0 HZ PHE A 10 0.827 -5.528 -1.309 1.00 0.00 H new ATOM 203 N LEU A 11 5.407 -0.684 -2.581 1.00 0.00 N ATOM 204 CA LEU A 11 5.482 0.562 -3.332 1.00 0.00 C ATOM 205 C LEU A 11 6.422 1.562 -2.659 1.00 0.00 C ATOM 206 O LEU A 11 7.364 2.059 -3.277 1.00 0.00 O ATOM 207 CB LEU A 11 4.102 1.208 -3.511 1.00 0.00 C ATOM 208 CG LEU A 11 3.122 0.472 -4.437 1.00 0.00 C ATOM 209 CD1 LEU A 11 1.945 1.373 -4.755 1.00 0.00 C ATOM 210 CD2 LEU A 11 3.810 0.020 -5.719 1.00 0.00 C ATOM 0 H LEU A 11 4.458 -1.018 -2.412 1.00 0.00 H new ATOM 0 HA LEU A 11 5.876 0.304 -4.315 1.00 0.00 H new ATOM 0 HB2 LEU A 11 3.639 1.304 -2.529 1.00 0.00 H new ATOM 0 HB3 LEU A 11 4.244 2.218 -3.896 1.00 0.00 H new ATOM 0 HG LEU A 11 2.763 -0.419 -3.923 1.00 0.00 H new ATOM 0 HD11 LEU A 11 1.252 0.848 -5.412 1.00 0.00 H new ATOM 0 HD12 LEU A 11 1.434 1.644 -3.831 1.00 0.00 H new ATOM 0 HD13 LEU A 11 2.301 2.276 -5.251 1.00 0.00 H new ATOM 0 HD21 LEU A 11 3.092 -0.498 -6.354 1.00 0.00 H new ATOM 0 HD22 LEU A 11 4.202 0.889 -6.248 1.00 0.00 H new ATOM 0 HD23 LEU A 11 4.630 -0.655 -5.473 1.00 0.00 H new