USER MOD reduce.3.24.130724 H: found=0, std=0, add=81, rem=0, adj=0 USER MOD reduce.3.24.130724 removed 82 hydrogens (0 hets) ATOM 43 N ARG A 3 7.313 -0.203 1.177 1.00 0.00 N ATOM 44 CA ARG A 3 6.475 0.990 1.113 1.00 0.00 C ATOM 45 C ARG A 3 5.007 0.620 0.981 1.00 0.00 C ATOM 46 O ARG A 3 4.146 1.214 1.621 1.00 0.00 O ATOM 47 CB ARG A 3 6.889 1.861 -0.072 1.00 0.00 C ATOM 48 CG ARG A 3 8.338 2.300 -0.016 1.00 0.00 C ATOM 49 CD ARG A 3 8.748 3.051 -1.272 1.00 0.00 C ATOM 50 NE ARG A 3 7.962 4.267 -1.468 1.00 0.00 N ATOM 51 CZ ARG A 3 8.123 5.090 -2.500 1.00 0.00 C ATOM 52 NH1 ARG A 3 9.033 4.828 -3.428 1.00 0.00 N ATOM 53 NH2 ARG A 3 7.372 6.178 -2.603 1.00 0.00 N ATOM 0 HA ARG A 3 6.612 1.546 2.040 1.00 0.00 H new ATOM 0 HB2 ARG A 3 6.719 1.309 -0.996 1.00 0.00 H new ATOM 0 HB3 ARG A 3 6.250 2.744 -0.106 1.00 0.00 H new ATOM 0 HG2 ARG A 3 8.492 2.937 0.855 1.00 0.00 H new ATOM 0 HG3 ARG A 3 8.978 1.427 0.111 1.00 0.00 H new ATOM 0 HD2 ARG A 3 9.805 3.309 -1.210 1.00 0.00 H new ATOM 0 HD3 ARG A 3 8.629 2.400 -2.138 1.00 0.00 H new ATOM 0 HE ARG A 3 7.250 4.497 -0.775 1.00 0.00 H new ATOM 0 HH11 ARG A 3 9.613 3.992 -3.352 1.00 0.00 H new ATOM 0 HH12 ARG A 3 9.153 5.462 -4.218 1.00 0.00 H new ATOM 0 HH21 ARG A 3 6.671 6.383 -1.891 1.00 0.00 H new ATOM 0 HH22 ARG A 3 7.495 6.810 -3.394 1.00 0.00 H new ATOM 67 N PHE A 4 4.736 -0.362 0.136 1.00 0.00 N ATOM 68 CA PHE A 4 3.376 -0.827 -0.110 1.00 0.00 C ATOM 69 C PHE A 4 2.591 -0.969 1.179 1.00 0.00 C ATOM 70 O PHE A 4 1.375 -0.824 1.202 1.00 0.00 O ATOM 71 CB PHE A 4 3.421 -2.158 -0.853 1.00 0.00 C ATOM 72 CG PHE A 4 4.083 -2.055 -2.195 1.00 0.00 C ATOM 73 CD1 PHE A 4 4.468 -0.822 -2.692 1.00 0.00 C ATOM 74 CD2 PHE A 4 4.328 -3.184 -2.954 1.00 0.00 C ATOM 75 CE1 PHE A 4 5.083 -0.710 -3.914 1.00 0.00 C ATOM 76 CE2 PHE A 4 4.948 -3.083 -4.183 1.00 0.00 C ATOM 77 CZ PHE A 4 5.328 -1.843 -4.666 1.00 0.00 C ATOM 0 H PHE A 4 5.449 -0.859 -0.398 1.00 0.00 H new ATOM 0 HA PHE A 4 2.865 -0.083 -0.721 1.00 0.00 H new ATOM 0 HB2 PHE A 4 3.954 -2.890 -0.246 1.00 0.00 H new ATOM 0 HB3 PHE A 4 2.405 -2.531 -0.982 1.00 0.00 H new ATOM 0 HD1 PHE A 4 4.281 0.067 -2.108 1.00 0.00 H new ATOM 0 HD2 PHE A 4 4.032 -4.154 -2.582 1.00 0.00 H new ATOM 0 HE1 PHE A 4 5.375 0.261 -4.287 1.00 0.00 H new ATOM 0 HE2 PHE A 4 5.137 -3.971 -4.768 1.00 0.00 H new ATOM 0 HZ PHE A 4 5.814 -1.761 -5.627 1.00 0.00 H new ATOM 87 N ALA A 5 3.290 -1.261 2.248 1.00 0.00 N ATOM 88 CA ALA A 5 2.655 -1.434 3.533 1.00 0.00 C ATOM 89 C ALA A 5 1.794 -0.229 3.920 1.00 0.00 C ATOM 90 O ALA A 5 0.688 -0.396 4.434 1.00 0.00 O ATOM 91 CB ALA A 5 3.715 -1.702 4.579 1.00 0.00 C ATOM 0 H ALA A 5 4.302 -1.384 2.254 1.00 0.00 H new ATOM 0 HA ALA A 5 1.980 -2.287 3.470 1.00 0.00 H new ATOM 0 HB1 ALA A 5 3.241 -1.833 5.552 1.00 0.00 H new ATOM 0 HB2 ALA A 5 4.264 -2.607 4.317 1.00 0.00 H new ATOM 0 HB3 ALA A 5 4.405 -0.859 4.622 1.00 0.00 H new ATOM 97 N TRP A 6 2.300 0.982 3.686 1.00 0.00 N ATOM 98 CA TRP A 6 1.556 2.190 4.036 1.00 0.00 C ATOM 99 C TRP A 6 0.618 2.659 2.923 1.00 0.00 C ATOM 100 O TRP A 6 0.176 3.808 2.948 1.00 0.00 O ATOM 101 CB TRP A 6 2.509 3.332 4.414 1.00 0.00 C ATOM 102 CG TRP A 6 3.583 3.562 3.404 1.00 0.00 C ATOM 103 CD1 TRP A 6 4.885 3.210 3.531 1.00 0.00 C ATOM 104 CD2 TRP A 6 3.452 4.170 2.109 1.00 0.00 C ATOM 105 NE1 TRP A 6 5.576 3.556 2.403 1.00 0.00 N ATOM 106 CE2 TRP A 6 4.719 4.145 1.508 1.00 0.00 C ATOM 107 CE3 TRP A 6 2.390 4.726 1.401 1.00 0.00 C ATOM 108 CZ2 TRP A 6 4.946 4.652 0.224 1.00 0.00 C ATOM 109 CZ3 TRP A 6 2.606 5.212 0.121 1.00 0.00 C ATOM 110 CH2 TRP A 6 3.871 5.168 -0.456 1.00 0.00 C ATOM 0 H TRP A 6 3.211 1.151 3.260 1.00 0.00 H new ATOM 0 HA TRP A 6 0.940 1.923 4.895 1.00 0.00 H new ATOM 0 HB2 TRP A 6 1.934 4.250 4.539 1.00 0.00 H new ATOM 0 HB3 TRP A 6 2.967 3.110 5.378 1.00 0.00 H new ATOM 0 HD1 TRP A 6 5.314 2.727 4.396 1.00 0.00 H new ATOM 0 HE1 TRP A 6 6.573 3.401 2.251 1.00 0.00 H new ATOM 0 HE3 TRP A 6 1.407 4.778 1.845 1.00 0.00 H new ATOM 0 HZ2 TRP A 6 5.932 4.638 -0.217 1.00 0.00 H new ATOM 0 HZ3 TRP A 6 1.781 5.631 -0.436 1.00 0.00 H new ATOM 0 HH2 TRP A 6 4.010 5.547 -1.458 1.00 0.00 H new ATOM 121 N TRP A 7 0.308 1.804 1.939 1.00 0.00 N ATOM 122 CA TRP A 7 -0.569 2.249 0.851 1.00 0.00 C ATOM 123 C TRP A 7 -1.079 1.144 -0.051 1.00 0.00 C ATOM 124 O TRP A 7 -2.229 1.175 -0.467 1.00 0.00 O ATOM 125 CB TRP A 7 0.160 3.249 0.010 1.00 0.00 C ATOM 126 CG TRP A 7 1.198 2.618 -0.831 1.00 0.00 C ATOM 127 CD1 TRP A 7 2.470 2.246 -0.501 1.00 0.00 C ATOM 128 CD2 TRP A 7 1.013 2.274 -2.166 1.00 0.00 C ATOM 129 NE1 TRP A 7 3.088 1.714 -1.592 1.00 0.00 N ATOM 130 CE2 TRP A 7 2.201 1.711 -2.625 1.00 0.00 C ATOM 131 CE3 TRP A 7 -0.061 2.398 -3.015 1.00 0.00 C ATOM 132 CZ2 TRP A 7 2.345 1.270 -3.910 1.00 0.00 C ATOM 133 CZ3 TRP A 7 0.070 1.961 -4.289 1.00 0.00 C ATOM 134 CH2 TRP A 7 1.268 1.396 -4.741 1.00 0.00 C ATOM 0 H TRP A 7 0.636 0.840 1.873 1.00 0.00 H new ATOM 0 HA TRP A 7 -1.446 2.676 1.338 1.00 0.00 H new ATOM 0 HB2 TRP A 7 -0.552 3.774 -0.627 1.00 0.00 H new ATOM 0 HB3 TRP A 7 0.622 3.996 0.655 1.00 0.00 H new ATOM 0 HD1 TRP A 7 2.917 2.357 0.476 1.00 0.00 H new ATOM 0 HE1 TRP A 7 4.050 1.376 -1.629 1.00 0.00 H new ATOM 0 HE3 TRP A 7 -0.988 2.834 -2.673 1.00 0.00 H new ATOM 0 HZ2 TRP A 7 3.273 0.839 -4.255 1.00 0.00 H new ATOM 0 HZ3 TRP A 7 -0.764 2.050 -4.969 1.00 0.00 H new ATOM 0 HH2 TRP A 7 1.342 1.054 -5.763 1.00 0.00 H new ATOM 145 N TRP A 8 -0.245 0.190 -0.391 1.00 0.00 N ATOM 146 CA TRP A 8 -0.695 -0.876 -1.255 1.00 0.00 C ATOM 147 C TRP A 8 -1.984 -1.413 -0.675 1.00 0.00 C ATOM 148 O TRP A 8 -2.877 -1.863 -1.386 1.00 0.00 O ATOM 149 CB TRP A 8 0.354 -1.959 -1.347 1.00 0.00 C ATOM 150 CG TRP A 8 0.048 -3.171 -0.538 1.00 0.00 C ATOM 151 CD1 TRP A 8 0.523 -3.483 0.697 1.00 0.00 C ATOM 152 CD2 TRP A 8 -0.799 -4.238 -0.929 1.00 0.00 C ATOM 153 NE1 TRP A 8 0.036 -4.706 1.091 1.00 0.00 N ATOM 154 CE2 TRP A 8 -0.783 -5.189 0.104 1.00 0.00 C ATOM 155 CE3 TRP A 8 -1.565 -4.473 -2.064 1.00 0.00 C ATOM 156 CZ2 TRP A 8 -1.506 -6.371 0.032 1.00 0.00 C ATOM 157 CZ3 TRP A 8 -2.288 -5.648 -2.139 1.00 0.00 C ATOM 158 CH2 TRP A 8 -2.249 -6.586 -1.095 1.00 0.00 C ATOM 0 H TRP A 8 0.728 0.129 -0.091 1.00 0.00 H new ATOM 0 HA TRP A 8 -0.864 -0.509 -2.267 1.00 0.00 H new ATOM 0 HB2 TRP A 8 0.469 -2.251 -2.391 1.00 0.00 H new ATOM 0 HB3 TRP A 8 1.312 -1.551 -1.023 1.00 0.00 H new ATOM 0 HD1 TRP A 8 1.185 -2.862 1.282 1.00 0.00 H new ATOM 0 HE1 TRP A 8 0.249 -5.176 1.971 1.00 0.00 H new ATOM 0 HE3 TRP A 8 -1.595 -3.754 -2.869 1.00 0.00 H new ATOM 0 HZ2 TRP A 8 -1.483 -7.093 0.835 1.00 0.00 H new ATOM 0 HZ3 TRP A 8 -2.891 -5.848 -3.012 1.00 0.00 H new ATOM 0 HH2 TRP A 8 -2.819 -7.499 -1.184 1.00 0.00 H new ATOM 169 N ALA A 9 -2.074 -1.313 0.644 1.00 0.00 N ATOM 170 CA ALA A 9 -3.254 -1.728 1.352 1.00 0.00 C ATOM 171 C ALA A 9 -4.316 -0.637 1.188 1.00 0.00 C ATOM 172 O ALA A 9 -5.504 -0.908 1.014 1.00 0.00 O ATOM 173 CB ALA A 9 -2.932 -1.971 2.817 1.00 0.00 C ATOM 0 H ALA A 9 -1.333 -0.944 1.239 1.00 0.00 H new ATOM 0 HA ALA A 9 -3.632 -2.666 0.946 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -3.835 -2.285 3.341 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -2.175 -2.751 2.899 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -2.554 -1.051 3.264 1.00 0.00 H new ATOM 179 N PHE A 10 -3.829 0.608 1.213 1.00 0.00 N ATOM 180 CA PHE A 10 -4.646 1.811 1.035 1.00 0.00 C ATOM 181 C PHE A 10 -5.505 1.695 -0.231 1.00 0.00 C ATOM 182 O PHE A 10 -6.707 1.960 -0.202 1.00 0.00 O ATOM 183 CB PHE A 10 -3.692 3.034 0.956 1.00 0.00 C ATOM 184 CG PHE A 10 -4.072 4.119 -0.019 1.00 0.00 C ATOM 185 CD1 PHE A 10 -5.352 4.653 -0.045 1.00 0.00 C ATOM 186 CD2 PHE A 10 -3.126 4.607 -0.918 1.00 0.00 C ATOM 187 CE1 PHE A 10 -5.686 5.644 -0.947 1.00 0.00 C ATOM 188 CE2 PHE A 10 -3.458 5.599 -1.819 1.00 0.00 C ATOM 189 CZ PHE A 10 -4.740 6.116 -1.836 1.00 0.00 C ATOM 0 H PHE A 10 -2.840 0.810 1.360 1.00 0.00 H new ATOM 0 HA PHE A 10 -5.328 1.933 1.876 1.00 0.00 H new ATOM 0 HB2 PHE A 10 -3.621 3.477 1.949 1.00 0.00 H new ATOM 0 HB3 PHE A 10 -2.696 2.674 0.696 1.00 0.00 H new ATOM 0 HD1 PHE A 10 -6.096 4.290 0.648 1.00 0.00 H new ATOM 0 HD2 PHE A 10 -2.123 4.205 -0.910 1.00 0.00 H new ATOM 0 HE1 PHE A 10 -6.687 6.050 -0.957 1.00 0.00 H new ATOM 0 HE2 PHE A 10 -2.716 5.971 -2.510 1.00 0.00 H new ATOM 0 HZ PHE A 10 -5.002 6.888 -2.544 1.00 0.00 H new ATOM 199 N LEU A 11 -4.875 1.306 -1.338 1.00 0.00 N ATOM 200 CA LEU A 11 -5.572 1.164 -2.615 1.00 0.00 C ATOM 201 C LEU A 11 -6.612 0.046 -2.568 1.00 0.00 C ATOM 202 O LEU A 11 -7.674 0.155 -3.180 1.00 0.00 O ATOM 203 CB LEU A 11 -4.563 0.914 -3.746 1.00 0.00 C ATOM 204 CG LEU A 11 -3.684 -0.324 -3.582 1.00 0.00 C ATOM 205 CD1 LEU A 11 -4.413 -1.581 -4.037 1.00 0.00 C ATOM 206 CD2 LEU A 11 -2.380 -0.160 -4.343 1.00 0.00 C ATOM 0 H LEU A 11 -3.880 1.083 -1.376 1.00 0.00 H new ATOM 0 HA LEU A 11 -6.101 2.096 -2.812 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -5.110 0.828 -4.685 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -3.917 1.788 -3.833 1.00 0.00 H new ATOM 0 HG LEU A 11 -3.455 -0.433 -2.522 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -3.762 -2.446 -3.908 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -5.316 -1.714 -3.441 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -4.684 -1.484 -5.088 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -1.768 -1.053 -4.213 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -2.593 -0.017 -5.402 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -1.842 0.707 -3.960 1.00 0.00 H new