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 7.653 -0.911 -0.085 1.00 0.00 N ATOM 44 CA ARG A 3 7.157 -1.236 1.243 1.00 0.00 C ATOM 45 C ARG A 3 6.006 -0.320 1.644 1.00 0.00 C ATOM 46 O ARG A 3 5.736 -0.135 2.831 1.00 0.00 O ATOM 47 CB ARG A 3 8.296 -1.154 2.266 1.00 0.00 C ATOM 48 CG ARG A 3 9.065 0.162 2.234 1.00 0.00 C ATOM 49 CD ARG A 3 8.258 1.305 2.829 1.00 0.00 C ATOM 50 NE ARG A 3 8.016 1.119 4.254 1.00 0.00 N ATOM 51 CZ ARG A 3 8.975 1.118 5.177 1.00 0.00 C ATOM 52 NH1 ARG A 3 10.240 1.315 4.827 1.00 0.00 N ATOM 53 NH2 ARG A 3 8.668 0.926 6.452 1.00 0.00 N ATOM 0 HA ARG A 3 6.774 -2.256 1.223 1.00 0.00 H new ATOM 0 HB2 ARG A 3 7.884 -1.298 3.265 1.00 0.00 H new ATOM 0 HB3 ARG A 3 8.992 -1.974 2.086 1.00 0.00 H new ATOM 0 HG2 ARG A 3 9.998 0.051 2.786 1.00 0.00 H new ATOM 0 HG3 ARG A 3 9.330 0.402 1.205 1.00 0.00 H new ATOM 0 HD2 ARG A 3 8.789 2.244 2.671 1.00 0.00 H new ATOM 0 HD3 ARG A 3 7.305 1.386 2.307 1.00 0.00 H new ATOM 0 HE ARG A 3 7.054 0.981 4.563 1.00 0.00 H new ATOM 0 HH11 ARG A 3 10.480 1.468 3.848 1.00 0.00 H new ATOM 0 HH12 ARG A 3 10.972 1.313 5.537 1.00 0.00 H new ATOM 0 HH21 ARG A 3 7.697 0.779 6.726 1.00 0.00 H new ATOM 0 HH22 ARG A 3 9.403 0.925 7.159 1.00 0.00 H new ATOM 67 N PHE A 4 5.310 0.236 0.654 1.00 0.00 N ATOM 68 CA PHE A 4 4.180 1.107 0.935 1.00 0.00 C ATOM 69 C PHE A 4 3.175 1.087 -0.212 1.00 0.00 C ATOM 70 O PHE A 4 1.975 1.112 0.014 1.00 0.00 O ATOM 71 CB PHE A 4 4.639 2.541 1.243 1.00 0.00 C ATOM 72 CG PHE A 4 4.832 3.422 0.038 1.00 0.00 C ATOM 73 CD1 PHE A 4 3.739 3.912 -0.667 1.00 0.00 C ATOM 74 CD2 PHE A 4 6.104 3.781 -0.371 1.00 0.00 C ATOM 75 CE1 PHE A 4 3.919 4.736 -1.761 1.00 0.00 C ATOM 76 CE2 PHE A 4 6.288 4.610 -1.462 1.00 0.00 C ATOM 77 CZ PHE A 4 5.195 5.087 -2.158 1.00 0.00 C ATOM 0 H PHE A 4 5.508 0.099 -0.337 1.00 0.00 H new ATOM 0 HA PHE A 4 3.682 0.723 1.825 1.00 0.00 H new ATOM 0 HB2 PHE A 4 3.906 3.007 1.901 1.00 0.00 H new ATOM 0 HB3 PHE A 4 5.578 2.495 1.794 1.00 0.00 H new ATOM 0 HD1 PHE A 4 2.739 3.646 -0.357 1.00 0.00 H new ATOM 0 HD2 PHE A 4 6.963 3.409 0.168 1.00 0.00 H new ATOM 0 HE1 PHE A 4 3.063 5.106 -2.306 1.00 0.00 H new ATOM 0 HE2 PHE A 4 7.286 4.884 -1.770 1.00 0.00 H new ATOM 0 HZ PHE A 4 5.337 5.733 -3.011 1.00 0.00 H new ATOM 87 N ALA A 5 3.666 1.034 -1.442 1.00 0.00 N ATOM 88 CA ALA A 5 2.786 1.006 -2.605 1.00 0.00 C ATOM 89 C ALA A 5 2.251 -0.403 -2.870 1.00 0.00 C ATOM 90 O ALA A 5 2.463 -0.978 -3.937 1.00 0.00 O ATOM 91 CB ALA A 5 3.510 1.544 -3.817 1.00 0.00 C ATOM 0 H ALA A 5 4.662 1.010 -1.661 1.00 0.00 H new ATOM 0 HA ALA A 5 1.928 1.645 -2.396 1.00 0.00 H new ATOM 0 HB1 ALA A 5 2.844 1.519 -4.680 1.00 0.00 H new ATOM 0 HB2 ALA A 5 3.821 2.572 -3.629 1.00 0.00 H new ATOM 0 HB3 ALA A 5 4.388 0.930 -4.018 1.00 0.00 H new ATOM 97 N TRP A 6 1.559 -0.937 -1.878 1.00 0.00 N ATOM 98 CA TRP A 6 0.966 -2.269 -1.933 1.00 0.00 C ATOM 99 C TRP A 6 -0.236 -2.297 -1.026 1.00 0.00 C ATOM 100 O TRP A 6 -1.263 -2.882 -1.348 1.00 0.00 O ATOM 101 CB TRP A 6 1.921 -3.327 -1.400 1.00 0.00 C ATOM 102 CG TRP A 6 2.445 -2.953 -0.061 1.00 0.00 C ATOM 103 CD1 TRP A 6 3.117 -1.827 0.270 1.00 0.00 C ATOM 104 CD2 TRP A 6 2.298 -3.696 1.124 1.00 0.00 C ATOM 105 NE1 TRP A 6 3.363 -1.799 1.615 1.00 0.00 N ATOM 106 CE2 TRP A 6 2.876 -2.953 2.164 1.00 0.00 C ATOM 107 CE3 TRP A 6 1.722 -4.918 1.395 1.00 0.00 C ATOM 108 CZ2 TRP A 6 2.884 -3.400 3.472 1.00 0.00 C ATOM 109 CZ3 TRP A 6 1.733 -5.379 2.696 1.00 0.00 C ATOM 110 CH2 TRP A 6 2.308 -4.616 3.723 1.00 0.00 C ATOM 0 H TRP A 6 1.389 -0.453 -0.997 1.00 0.00 H new ATOM 0 HA TRP A 6 0.718 -2.478 -2.974 1.00 0.00 H new ATOM 0 HB2 TRP A 6 1.407 -4.286 -1.337 1.00 0.00 H new ATOM 0 HB3 TRP A 6 2.751 -3.455 -2.095 1.00 0.00 H new ATOM 0 HD1 TRP A 6 3.417 -1.059 -0.428 1.00 0.00 H new ATOM 0 HE1 TRP A 6 3.830 -1.047 2.122 1.00 0.00 H new ATOM 0 HE3 TRP A 6 1.272 -5.503 0.606 1.00 0.00 H new ATOM 0 HZ2 TRP A 6 3.327 -2.814 4.264 1.00 0.00 H new ATOM 0 HZ3 TRP A 6 1.294 -6.338 2.926 1.00 0.00 H new ATOM 0 HH2 TRP A 6 2.296 -4.996 4.734 1.00 0.00 H new ATOM 121 N TRP A 7 -0.059 -1.679 0.137 1.00 0.00 N ATOM 122 CA TRP A 7 -1.076 -1.621 1.148 1.00 0.00 C ATOM 123 C TRP A 7 -2.197 -0.716 0.740 1.00 0.00 C ATOM 124 O TRP A 7 -3.270 -0.764 1.314 1.00 0.00 O ATOM 125 CB TRP A 7 -0.473 -1.177 2.475 1.00 0.00 C ATOM 126 CG TRP A 7 0.209 0.158 2.440 1.00 0.00 C ATOM 127 CD1 TRP A 7 1.518 0.384 2.662 1.00 0.00 C ATOM 128 CD2 TRP A 7 -0.372 1.437 2.192 1.00 0.00 C ATOM 129 NE1 TRP A 7 1.802 1.721 2.572 1.00 0.00 N ATOM 130 CE2 TRP A 7 0.655 2.388 2.280 1.00 0.00 C ATOM 131 CE3 TRP A 7 -1.654 1.869 1.903 1.00 0.00 C ATOM 132 CZ2 TRP A 7 0.436 3.740 2.086 1.00 0.00 C ATOM 133 CZ3 TRP A 7 -1.877 3.197 1.706 1.00 0.00 C ATOM 134 CH2 TRP A 7 -0.840 4.130 1.797 1.00 0.00 C ATOM 0 H TRP A 7 0.806 -1.204 0.394 1.00 0.00 H new ATOM 0 HA TRP A 7 -1.492 -2.621 1.272 1.00 0.00 H new ATOM 0 HB2 TRP A 7 -1.263 -1.146 3.225 1.00 0.00 H new ATOM 0 HB3 TRP A 7 0.246 -1.928 2.801 1.00 0.00 H new ATOM 0 HD1 TRP A 7 2.245 -0.384 2.881 1.00 0.00 H new ATOM 0 HE1 TRP A 7 2.721 2.145 2.702 1.00 0.00 H new ATOM 0 HE3 TRP A 7 -2.467 1.162 1.835 1.00 0.00 H new ATOM 0 HZ2 TRP A 7 1.240 4.457 2.160 1.00 0.00 H new ATOM 0 HZ3 TRP A 7 -2.876 3.537 1.475 1.00 0.00 H new ATOM 0 HH2 TRP A 7 -1.052 5.177 1.636 1.00 0.00 H new ATOM 145 N TRP A 8 -1.950 0.127 -0.241 1.00 0.00 N ATOM 146 CA TRP A 8 -2.978 1.047 -0.672 1.00 0.00 C ATOM 147 C TRP A 8 -4.211 0.275 -0.991 1.00 0.00 C ATOM 148 O TRP A 8 -5.294 0.534 -0.473 1.00 0.00 O ATOM 149 CB TRP A 8 -2.595 1.812 -1.912 1.00 0.00 C ATOM 150 CG TRP A 8 -1.376 2.573 -1.751 1.00 0.00 C ATOM 151 CD1 TRP A 8 -0.258 2.156 -1.168 1.00 0.00 C ATOM 152 CD2 TRP A 8 -1.173 3.878 -2.186 1.00 0.00 C ATOM 153 NE1 TRP A 8 0.676 3.163 -1.185 1.00 0.00 N ATOM 154 CE2 TRP A 8 0.123 4.248 -1.824 1.00 0.00 C ATOM 155 CE3 TRP A 8 -1.986 4.759 -2.848 1.00 0.00 C ATOM 156 CZ2 TRP A 8 0.633 5.510 -2.114 1.00 0.00 C ATOM 157 CZ3 TRP A 8 -1.502 6.004 -3.141 1.00 0.00 C ATOM 158 CH2 TRP A 8 -0.198 6.380 -2.775 1.00 0.00 C ATOM 0 H TRP A 8 -1.066 0.194 -0.745 1.00 0.00 H new ATOM 0 HA TRP A 8 -3.129 1.758 0.140 1.00 0.00 H new ATOM 0 HB2 TRP A 8 -2.475 1.114 -2.740 1.00 0.00 H new ATOM 0 HB3 TRP A 8 -3.407 2.488 -2.180 1.00 0.00 H new ATOM 0 HD1 TRP A 8 -0.106 1.174 -0.745 1.00 0.00 H new ATOM 0 HE1 TRP A 8 1.616 3.115 -0.792 1.00 0.00 H new ATOM 0 HE3 TRP A 8 -2.989 4.476 -3.133 1.00 0.00 H new ATOM 0 HZ2 TRP A 8 1.637 5.792 -1.832 1.00 0.00 H new ATOM 0 HZ3 TRP A 8 -2.132 6.710 -3.662 1.00 0.00 H new ATOM 0 HH2 TRP A 8 0.156 7.371 -3.018 1.00 0.00 H new ATOM 169 N PRO A 9 -4.049 -0.685 -1.899 1.00 0.00 N ATOM 170 CA PRO A 9 -5.131 -1.501 -2.343 1.00 0.00 C ATOM 171 C PRO A 9 -6.022 -1.980 -1.196 1.00 0.00 C ATOM 172 O PRO A 9 -7.243 -1.851 -1.267 1.00 0.00 O ATOM 173 CB PRO A 9 -4.408 -2.654 -3.030 1.00 0.00 C ATOM 174 CG PRO A 9 -3.219 -2.006 -3.631 1.00 0.00 C ATOM 175 CD PRO A 9 -2.789 -1.016 -2.610 1.00 0.00 C ATOM 0 HA PRO A 9 -5.825 -0.970 -2.995 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -4.126 -3.431 -2.320 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -5.034 -3.126 -3.787 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -2.432 -2.731 -3.839 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -3.464 -1.522 -4.576 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -2.044 -1.435 -1.933 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -2.343 -0.134 -3.069 1.00 0.00 H new ATOM 183 N PHE A 10 -5.416 -2.510 -0.129 1.00 0.00 N ATOM 184 CA PHE A 10 -6.206 -2.967 1.021 1.00 0.00 C ATOM 185 C PHE A 10 -6.552 -1.792 1.922 1.00 0.00 C ATOM 186 O PHE A 10 -7.716 -1.532 2.220 1.00 0.00 O ATOM 187 CB PHE A 10 -5.466 -3.984 1.894 1.00 0.00 C ATOM 188 CG PHE A 10 -4.343 -4.724 1.243 1.00 0.00 C ATOM 189 CD1 PHE A 10 -3.165 -4.075 0.950 1.00 0.00 C ATOM 190 CD2 PHE A 10 -4.442 -6.078 0.975 1.00 0.00 C ATOM 191 CE1 PHE A 10 -2.111 -4.744 0.394 1.00 0.00 C ATOM 192 CE2 PHE A 10 -3.380 -6.763 0.420 1.00 0.00 C ATOM 193 CZ PHE A 10 -2.210 -6.091 0.127 1.00 0.00 C ATOM 0 H PHE A 10 -4.408 -2.632 -0.036 1.00 0.00 H new ATOM 0 HA PHE A 10 -7.094 -3.436 0.597 1.00 0.00 H new ATOM 0 HB2 PHE A 10 -5.072 -3.463 2.766 1.00 0.00 H new ATOM 0 HB3 PHE A 10 -6.190 -4.713 2.258 1.00 0.00 H new ATOM 0 HD1 PHE A 10 -3.072 -3.020 1.163 1.00 0.00 H new ATOM 0 HD2 PHE A 10 -5.358 -6.603 1.202 1.00 0.00 H new ATOM 0 HE1 PHE A 10 -1.198 -4.215 0.164 1.00 0.00 H new ATOM 0 HE2 PHE A 10 -3.464 -7.820 0.216 1.00 0.00 H new ATOM 0 HZ PHE A 10 -1.376 -6.620 -0.310 1.00 0.00 H new ATOM 203 N LEU A 11 -5.509 -1.118 2.387 1.00 0.00 N ATOM 204 CA LEU A 11 -5.653 0.007 3.294 1.00 0.00 C ATOM 205 C LEU A 11 -6.608 1.067 2.749 1.00 0.00 C ATOM 206 O LEU A 11 -7.636 1.362 3.357 1.00 0.00 O ATOM 207 CB LEU A 11 -4.292 0.642 3.592 1.00 0.00 C ATOM 208 CG LEU A 11 -3.214 -0.300 4.154 1.00 0.00 C ATOM 209 CD1 LEU A 11 -2.102 0.514 4.777 1.00 0.00 C ATOM 210 CD2 LEU A 11 -3.797 -1.284 5.159 1.00 0.00 C ATOM 0 H LEU A 11 -4.542 -1.337 2.145 1.00 0.00 H new ATOM 0 HA LEU A 11 -6.079 -0.385 4.218 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -3.913 1.088 2.672 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -4.441 1.455 4.302 1.00 0.00 H new ATOM 0 HG LEU A 11 -2.808 -0.888 3.331 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -1.339 -0.156 5.174 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -1.658 1.162 4.021 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -2.506 1.124 5.585 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -3.006 -1.933 5.534 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -4.241 -0.735 5.990 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -4.563 -1.889 4.674 1.00 0.00 H new