USER MOD reduce.3.24.130724 H: found=0, std=0, add=134, rem=0, adj=0 USER MOD reduce.3.24.130724 removed 135 hydrogens (0 hets) ATOM 115 N GLU A 7 0.429 7.756 0.929 1.00 75.13 N ATOM 116 CA GLU A 7 0.312 6.302 0.938 1.00 12.44 C ATOM 117 C GLU A 7 1.257 5.674 -0.082 1.00 31.14 C ATOM 118 O GLU A 7 2.059 4.802 0.254 1.00 34.01 O ATOM 119 CB GLU A 7 -1.129 5.882 0.641 1.00 12.34 C ATOM 120 CG GLU A 7 -1.910 5.468 1.878 1.00 45.33 C ATOM 121 CD GLU A 7 -1.300 4.270 2.578 1.00 22.52 C ATOM 122 OE1 GLU A 7 -1.265 3.181 1.967 1.00 32.45 O ATOM 123 OE2 GLU A 7 -0.858 4.420 3.736 1.00 23.12 O ATOM 0 HA GLU A 7 0.589 5.947 1.931 1.00 12.44 H new ATOM 0 HB2 GLU A 7 -1.647 6.709 0.155 1.00 12.34 H new ATOM 0 HB3 GLU A 7 -1.118 5.053 -0.066 1.00 12.34 H new ATOM 0 HG2 GLU A 7 -1.954 6.307 2.573 1.00 45.33 H new ATOM 0 HG3 GLU A 7 -2.936 5.235 1.594 1.00 45.33 H new ATOM 130 N ARG A 8 1.156 6.123 -1.328 1.00 72.14 N ATOM 131 CA ARG A 8 2.000 5.604 -2.398 1.00 74.11 C ATOM 132 C ARG A 8 3.282 6.422 -2.525 1.00 35.24 C ATOM 133 O ARG A 8 4.344 5.886 -2.839 1.00 61.51 O ATOM 134 CB ARG A 8 1.241 5.616 -3.726 1.00 51.24 C ATOM 135 CG ARG A 8 2.002 4.963 -4.868 1.00 72.34 C ATOM 136 CD ARG A 8 2.156 3.466 -4.651 1.00 32.44 C ATOM 137 NE ARG A 8 2.878 2.824 -5.746 1.00 40.51 N ATOM 138 CZ ARG A 8 2.350 2.603 -6.945 1.00 13.24 C ATOM 139 NH1 ARG A 8 1.102 2.970 -7.201 1.00 15.05 N ATOM 140 NH2 ARG A 8 3.071 2.014 -7.890 1.00 55.43 N ATOM 0 H ARG A 8 0.498 6.845 -1.622 1.00 72.14 H new ATOM 0 HA ARG A 8 2.268 4.577 -2.150 1.00 74.11 H new ATOM 0 HB2 ARG A 8 0.288 5.103 -3.595 1.00 51.24 H new ATOM 0 HB3 ARG A 8 1.013 6.647 -3.995 1.00 51.24 H new ATOM 0 HG2 ARG A 8 1.478 5.144 -5.806 1.00 72.34 H new ATOM 0 HG3 ARG A 8 2.987 5.422 -4.960 1.00 72.34 H new ATOM 0 HD2 ARG A 8 2.685 3.288 -3.715 1.00 32.44 H new ATOM 0 HD3 ARG A 8 1.170 3.011 -4.551 1.00 32.44 H new ATOM 0 HE ARG A 8 3.840 2.529 -5.581 1.00 40.51 H new ATOM 0 HH11 ARG A 8 0.545 3.423 -6.477 1.00 15.05 H new ATOM 0 HH12 ARG A 8 0.699 2.799 -8.122 1.00 15.05 H new ATOM 0 HH21 ARG A 8 4.031 1.730 -7.696 1.00 55.43 H new ATOM 0 HH22 ARG A 8 2.665 1.845 -8.810 1.00 55.43 H new ATOM 154 N VAL A 9 3.174 7.724 -2.278 1.00 73.41 N ATOM 155 CA VAL A 9 4.324 8.616 -2.364 1.00 33.33 C ATOM 156 C VAL A 9 4.964 8.820 -0.995 1.00 62.34 C ATOM 157 O VAL A 9 5.996 9.479 -0.874 1.00 24.41 O ATOM 158 CB VAL A 9 3.928 9.987 -2.943 1.00 3.12 C ATOM 159 CG1 VAL A 9 5.167 10.810 -3.262 1.00 24.34 C ATOM 160 CG2 VAL A 9 3.061 9.812 -4.181 1.00 4.34 C ATOM 0 H VAL A 9 2.302 8.184 -2.017 1.00 73.41 H new ATOM 0 HA VAL A 9 5.044 8.142 -3.032 1.00 33.33 H new ATOM 0 HB VAL A 9 3.347 10.524 -2.193 1.00 3.12 H new ATOM 0 HG11 VAL A 9 4.867 11.775 -3.670 1.00 24.34 H new ATOM 0 HG12 VAL A 9 5.745 10.965 -2.351 1.00 24.34 H new ATOM 0 HG13 VAL A 9 5.777 10.280 -3.994 1.00 24.34 H new ATOM 0 HG21 VAL A 9 2.790 10.791 -4.577 1.00 4.34 H new ATOM 0 HG22 VAL A 9 3.614 9.255 -4.937 1.00 4.34 H new ATOM 0 HG23 VAL A 9 2.156 9.265 -3.917 1.00 4.34 H new ATOM 170 N ALA A 10 4.345 8.249 0.033 1.00 52.13 N ATOM 171 CA ALA A 10 4.856 8.366 1.393 1.00 73.11 C ATOM 172 C ALA A 10 5.611 7.107 1.805 1.00 4.44 C ATOM 173 O ALA A 10 6.603 7.177 2.533 1.00 33.43 O ATOM 174 CB ALA A 10 3.716 8.641 2.363 1.00 42.52 C ATOM 0 H ALA A 10 3.489 7.701 -0.050 1.00 52.13 H new ATOM 0 HA ALA A 10 5.554 9.203 1.422 1.00 73.11 H new ATOM 0 HB1 ALA A 10 4.112 8.726 3.375 1.00 42.52 H new ATOM 0 HB2 ALA A 10 3.221 9.572 2.088 1.00 42.52 H new ATOM 0 HB3 ALA A 10 2.998 7.822 2.322 1.00 42.52 H new ATOM 180 N LEU A 11 5.137 5.958 1.337 1.00 4.22 N ATOM 181 CA LEU A 11 5.768 4.683 1.658 1.00 24.42 C ATOM 182 C LEU A 11 6.893 4.369 0.677 1.00 42.33 C ATOM 183 O LEU A 11 7.912 3.787 1.049 1.00 1.12 O ATOM 184 CB LEU A 11 4.731 3.559 1.638 1.00 20.33 C ATOM 185 CG LEU A 11 3.946 3.347 2.933 1.00 23.45 C ATOM 186 CD1 LEU A 11 4.831 2.712 3.996 1.00 74.25 C ATOM 187 CD2 LEU A 11 3.374 4.665 3.432 1.00 13.41 C ATOM 0 H LEU A 11 4.318 5.883 0.734 1.00 4.22 H new ATOM 0 HA LEU A 11 6.194 4.759 2.658 1.00 24.42 H new ATOM 0 HB2 LEU A 11 4.022 3.761 0.835 1.00 20.33 H new ATOM 0 HB3 LEU A 11 5.239 2.628 1.388 1.00 20.33 H new ATOM 0 HG LEU A 11 3.118 2.669 2.726 1.00 23.45 H new ATOM 0 HD11 LEU A 11 4.255 2.569 4.911 1.00 74.25 H new ATOM 0 HD12 LEU A 11 5.192 1.747 3.640 1.00 74.25 H new ATOM 0 HD13 LEU A 11 5.680 3.365 4.200 1.00 74.25 H new ATOM 0 HD21 LEU A 11 2.819 4.495 4.354 1.00 13.41 H new ATOM 0 HD22 LEU A 11 4.187 5.366 3.622 1.00 13.41 H new ATOM 0 HD23 LEU A 11 2.706 5.081 2.678 1.00 13.41 H new ATOM 199 N PHE A 12 6.702 4.761 -0.579 1.00 4.33 N ATOM 200 CA PHE A 12 7.701 4.523 -1.614 1.00 44.50 C ATOM 201 C PHE A 12 8.542 5.773 -1.856 1.00 5.54 C ATOM 202 O PHE A 12 9.274 5.862 -2.841 1.00 10.02 O ATOM 203 CB PHE A 12 7.024 4.091 -2.916 1.00 41.22 C ATOM 204 CG PHE A 12 6.208 2.837 -2.780 1.00 45.42 C ATOM 205 CD1 PHE A 12 4.947 2.874 -2.208 1.00 1.41 C ATOM 206 CD2 PHE A 12 6.703 1.622 -3.225 1.00 73.10 C ATOM 207 CE1 PHE A 12 4.195 1.722 -2.081 1.00 31.01 C ATOM 208 CE2 PHE A 12 5.955 0.466 -3.101 1.00 51.00 C ATOM 209 CZ PHE A 12 4.699 0.517 -2.529 1.00 72.51 C ATOM 0 H PHE A 12 5.865 5.245 -0.904 1.00 4.33 H new ATOM 0 HA PHE A 12 8.359 3.724 -1.272 1.00 44.50 H new ATOM 0 HB2 PHE A 12 6.380 4.898 -3.266 1.00 41.22 H new ATOM 0 HB3 PHE A 12 7.787 3.938 -3.679 1.00 41.22 H new ATOM 0 HD1 PHE A 12 4.547 3.814 -1.857 1.00 1.41 H new ATOM 0 HD2 PHE A 12 7.684 1.577 -3.674 1.00 73.10 H new ATOM 0 HE1 PHE A 12 3.214 1.764 -1.632 1.00 31.01 H new ATOM 0 HE2 PHE A 12 6.352 -0.475 -3.451 1.00 51.00 H new ATOM 0 HZ PHE A 12 4.112 -0.384 -2.432 1.00 72.51 H new ATOM 219 N GLY A 13 8.432 6.739 -0.948 1.00 33.21 N ATOM 220 CA GLY A 13 9.186 7.971 -1.080 1.00 3.31 C ATOM 221 C GLY A 13 10.099 8.222 0.104 1.00 14.33 C ATOM 222 O GLY A 13 11.074 8.967 -0.001 1.00 33.55 O ATOM 0 H GLY A 13 7.834 6.689 -0.123 1.00 33.21 H new ATOM 0 HA2 GLY A 13 9.781 7.933 -1.992 1.00 3.31 H new ATOM 0 HA3 GLY A 13 8.495 8.807 -1.185 1.00 3.31 H new ATOM 226 N VAL A 14 9.781 7.601 1.236 1.00 44.21 N ATOM 227 CA VAL A 14 10.579 7.761 2.446 1.00 44.44 C ATOM 228 C VAL A 14 11.453 6.537 2.693 1.00 4.15 C ATOM 229 O VAL A 14 12.492 6.625 3.351 1.00 74.54 O ATOM 230 CB VAL A 14 9.688 8.000 3.679 1.00 53.13 C ATOM 231 CG1 VAL A 14 10.536 8.133 4.934 1.00 65.31 C ATOM 232 CG2 VAL A 14 8.821 9.234 3.478 1.00 3.32 C ATOM 0 H VAL A 14 8.977 6.983 1.340 1.00 44.21 H new ATOM 0 HA VAL A 14 11.215 8.633 2.293 1.00 44.44 H new ATOM 0 HB VAL A 14 9.032 7.139 3.803 1.00 53.13 H new ATOM 0 HG11 VAL A 14 9.888 8.301 5.794 1.00 65.31 H new ATOM 0 HG12 VAL A 14 11.109 7.218 5.085 1.00 65.31 H new ATOM 0 HG13 VAL A 14 11.219 8.975 4.824 1.00 65.31 H new ATOM 0 HG21 VAL A 14 8.198 9.388 4.359 1.00 3.32 H new ATOM 0 HG22 VAL A 14 9.458 10.106 3.327 1.00 3.32 H new ATOM 0 HG23 VAL A 14 8.185 9.094 2.604 1.00 3.32 H new ATOM 242 N LEU A 15 11.028 5.396 2.163 1.00 15.03 N ATOM 243 CA LEU A 15 11.772 4.152 2.326 1.00 32.10 C ATOM 244 C LEU A 15 12.350 3.685 0.994 1.00 2.20 C ATOM 245 O LEU A 15 13.345 2.963 0.957 1.00 64.13 O ATOM 246 CB LEU A 15 10.867 3.066 2.911 1.00 51.04 C ATOM 247 CG LEU A 15 11.574 1.931 3.653 1.00 54.31 C ATOM 248 CD1 LEU A 15 10.798 1.547 4.904 1.00 43.24 C ATOM 249 CD2 LEU A 15 11.750 0.726 2.741 1.00 34.31 C ATOM 0 H LEU A 15 10.172 5.306 1.616 1.00 15.03 H new ATOM 0 HA LEU A 15 12.597 4.338 3.014 1.00 32.10 H new ATOM 0 HB2 LEU A 15 10.163 3.538 3.596 1.00 51.04 H new ATOM 0 HB3 LEU A 15 10.281 2.634 2.100 1.00 51.04 H new ATOM 0 HG LEU A 15 12.562 2.279 3.955 1.00 54.31 H new ATOM 0 HD11 LEU A 15 11.316 0.738 5.419 1.00 43.24 H new ATOM 0 HD12 LEU A 15 10.724 2.410 5.566 1.00 43.24 H new ATOM 0 HD13 LEU A 15 9.797 1.217 4.625 1.00 43.24 H new ATOM 0 HD21 LEU A 15 12.255 -0.072 3.286 1.00 34.31 H new ATOM 0 HD22 LEU A 15 10.773 0.376 2.408 1.00 34.31 H new ATOM 0 HD23 LEU A 15 12.349 1.009 1.875 1.00 34.31 H new ATOM 261 N GLY A 16 11.720 4.105 -0.099 1.00 11.21 N ATOM 262 CA GLY A 16 12.187 3.722 -1.418 1.00 45.02 C ATOM 263 C GLY A 16 13.041 4.795 -2.065 1.00 73.02 C ATOM 264 O GLY A 16 13.756 4.530 -3.031 1.00 3.04 O ATOM 0 H GLY A 16 10.894 4.704 -0.094 1.00 11.21 H new ATOM 0 HA2 GLY A 16 12.763 2.800 -1.342 1.00 45.02 H new ATOM 0 HA3 GLY A 16 11.329 3.511 -2.057 1.00 45.02 H new ATOM 268 N ALA A 17 12.964 6.011 -1.533 1.00 72.54 N ATOM 269 CA ALA A 17 13.735 7.127 -2.065 1.00 44.10 C ATOM 270 C ALA A 17 14.937 7.435 -1.178 1.00 41.55 C ATOM 271 O ALA A 17 15.958 7.933 -1.652 1.00 64.50 O ATOM 272 CB ALA A 17 12.853 8.358 -2.208 1.00 14.13 C ATOM 0 H ALA A 17 12.375 6.248 -0.734 1.00 72.54 H new ATOM 0 HA ALA A 17 14.106 6.844 -3.050 1.00 44.10 H new ATOM 0 HB1 ALA A 17 13.443 9.184 -2.606 1.00 14.13 H new ATOM 0 HB2 ALA A 17 12.030 8.139 -2.888 1.00 14.13 H new ATOM 0 HB3 ALA A 17 12.454 8.635 -1.232 1.00 14.13 H new ATOM 278 N ALA A 18 14.808 7.138 0.110 1.00 13.03 N ATOM 279 CA ALA A 18 15.884 7.382 1.063 1.00 52.54 C ATOM 280 C ALA A 18 16.585 6.083 1.444 1.00 42.22 C ATOM 281 O ALA A 18 17.061 5.930 2.569 1.00 23.24 O ATOM 282 CB ALA A 18 15.343 8.076 2.304 1.00 54.21 C ATOM 0 H ALA A 18 13.968 6.728 0.518 1.00 13.03 H new ATOM 0 HA ALA A 18 16.617 8.033 0.587 1.00 52.54 H new ATOM 0 HB1 ALA A 18 16.157 8.252 3.007 1.00 54.21 H new ATOM 0 HB2 ALA A 18 14.895 9.029 2.022 1.00 54.21 H new ATOM 0 HB3 ALA A 18 14.588 7.445 2.774 1.00 54.21 H new ATOM 288 N LEU A 19 16.645 5.150 0.500 1.00 3.12 N ATOM 289 CA LEU A 19 17.289 3.862 0.738 1.00 54.45 C ATOM 290 C LEU A 19 18.114 3.435 -0.472 1.00 2.12 C ATOM 291 O LEU A 19 19.296 3.113 -0.346 1.00 70.12 O ATOM 292 CB LEU A 19 16.239 2.796 1.055 1.00 55.31 C ATOM 293 CG LEU A 19 16.777 1.418 1.440 1.00 73.22 C ATOM 294 CD1 LEU A 19 16.877 1.287 2.952 1.00 72.14 C ATOM 295 CD2 LEU A 19 15.893 0.321 0.865 1.00 34.40 C ATOM 0 H LEU A 19 16.256 5.261 -0.436 1.00 3.12 H new ATOM 0 HA LEU A 19 17.958 3.970 1.592 1.00 54.45 H new ATOM 0 HB2 LEU A 19 15.615 3.161 1.870 1.00 55.31 H new ATOM 0 HB3 LEU A 19 15.592 2.681 0.185 1.00 55.31 H new ATOM 0 HG LEU A 19 17.777 1.309 1.020 1.00 73.22 H new ATOM 0 HD11 LEU A 19 17.262 0.300 3.207 1.00 72.14 H new ATOM 0 HD12 LEU A 19 17.552 2.051 3.340 1.00 72.14 H new ATOM 0 HD13 LEU A 19 15.889 1.417 3.395 1.00 72.14 H new ATOM 0 HD21 LEU A 19 16.291 -0.653 1.149 1.00 34.40 H new ATOM 0 HD22 LEU A 19 14.881 0.427 1.255 1.00 34.40 H new ATOM 0 HD23 LEU A 19 15.873 0.402 -0.222 1.00 34.40 H new ATOM 307 N ILE A 20 17.485 3.437 -1.642 1.00 33.11 N ATOM 308 CA ILE A 20 18.162 3.053 -2.874 1.00 23.31 C ATOM 309 C ILE A 20 19.425 3.880 -3.088 1.00 10.41 C ATOM 310 O ILE A 20 20.347 3.457 -3.783 1.00 62.41 O ATOM 311 CB ILE A 20 17.241 3.216 -4.097 1.00 43.15 C ATOM 312 CG1 ILE A 20 15.942 2.434 -3.893 1.00 40.32 C ATOM 313 CG2 ILE A 20 17.952 2.753 -5.361 1.00 34.04 C ATOM 314 CD1 ILE A 20 16.156 0.951 -3.685 1.00 55.31 C ATOM 0 H ILE A 20 16.507 3.700 -1.763 1.00 33.11 H new ATOM 0 HA ILE A 20 18.432 2.002 -2.771 1.00 23.31 H new ATOM 0 HB ILE A 20 16.993 4.272 -4.209 1.00 43.15 H new ATOM 0 HG12 ILE A 20 15.414 2.841 -3.031 1.00 40.32 H new ATOM 0 HG13 ILE A 20 15.298 2.582 -4.760 1.00 40.32 H new ATOM 0 HG21 ILE A 20 17.288 2.874 -6.217 1.00 34.04 H new ATOM 0 HG22 ILE A 20 18.852 3.350 -5.512 1.00 34.04 H new ATOM 0 HG23 ILE A 20 18.226 1.703 -5.260 1.00 34.04 H new ATOM 0 HD11 ILE A 20 15.193 0.460 -3.547 1.00 55.31 H new ATOM 0 HD12 ILE A 20 16.656 0.530 -4.557 1.00 55.31 H new ATOM 0 HD13 ILE A 20 16.774 0.793 -2.801 1.00 55.31 H new ATOM 326 N GLY A 21 19.460 5.064 -2.483 1.00 52.23 N ATOM 327 CA GLY A 21 20.615 5.932 -2.618 1.00 52.45 C ATOM 328 C GLY A 21 21.670 5.662 -1.564 1.00 53.31 C ATOM 329 O GLY A 21 22.573 6.473 -1.358 1.00 34.40 O ATOM 0 H GLY A 21 18.709 5.437 -1.902 1.00 52.23 H new ATOM 0 HA2 GLY A 21 21.052 5.799 -3.608 1.00 52.45 H new ATOM 0 HA3 GLY A 21 20.294 6.971 -2.549 1.00 52.45 H new ATOM 333 N ALA A 22 21.555 4.521 -0.893 1.00 61.44 N ATOM 334 CA ALA A 22 22.507 4.146 0.145 1.00 33.11 C ATOM 335 C ALA A 22 22.544 2.633 0.336 1.00 50.34 C ATOM 336 O ALA A 22 22.951 2.141 1.388 1.00 25.11 O ATOM 337 CB ALA A 22 22.157 4.836 1.455 1.00 3.31 C ATOM 0 H ALA A 22 20.812 3.840 -1.050 1.00 61.44 H new ATOM 0 HA ALA A 22 23.498 4.470 -0.171 1.00 33.11 H new ATOM 0 HB1 ALA A 22 22.876 4.547 2.222 1.00 3.31 H new ATOM 0 HB2 ALA A 22 22.188 5.917 1.317 1.00 3.31 H new ATOM 0 HB3 ALA A 22 21.156 4.539 1.766 1.00 3.31 H new ATOM 343 N ILE A 23 22.116 1.902 -0.688 1.00 11.11 N ATOM 344 CA ILE A 23 22.101 0.446 -0.632 1.00 62.41 C ATOM 345 C ILE A 23 22.481 -0.160 -1.979 1.00 54.12 C ATOM 346 O ILE A 23 23.196 -1.159 -2.043 1.00 32.34 O ATOM 347 CB ILE A 23 20.718 -0.088 -0.213 1.00 44.34 C ATOM 348 CG1 ILE A 23 19.644 0.398 -1.188 1.00 14.20 C ATOM 349 CG2 ILE A 23 20.390 0.349 1.207 1.00 60.15 C ATOM 350 CD1 ILE A 23 19.286 -0.618 -2.249 1.00 62.55 C ATOM 0 H ILE A 23 21.775 2.294 -1.566 1.00 11.11 H new ATOM 0 HA ILE A 23 22.837 0.152 0.117 1.00 62.41 H new ATOM 0 HB ILE A 23 20.741 -1.177 -0.240 1.00 44.34 H new ATOM 0 HG12 ILE A 23 18.746 0.657 -0.627 1.00 14.20 H new ATOM 0 HG13 ILE A 23 19.991 1.310 -1.673 1.00 14.20 H new ATOM 0 HG21 ILE A 23 19.410 -0.036 1.489 1.00 60.15 H new ATOM 0 HG22 ILE A 23 21.144 -0.041 1.891 1.00 60.15 H new ATOM 0 HG23 ILE A 23 20.381 1.438 1.260 1.00 60.15 H new ATOM 0 HD11 ILE A 23 18.519 -0.205 -2.904 1.00 62.55 H new ATOM 0 HD12 ILE A 23 20.173 -0.859 -2.835 1.00 62.55 H new ATOM 0 HD13 ILE A 23 18.908 -1.523 -1.773 1.00 62.55 H new ATOM 362 N ALA A 24 21.998 0.454 -3.055 1.00 33.33 N ATOM 363 CA ALA A 24 22.289 -0.022 -4.401 1.00 62.32 C ATOM 364 C ALA A 24 21.593 0.838 -5.450 1.00 61.03 C ATOM 365 O ALA A 24 20.738 0.371 -6.203 1.00 15.24 O ATOM 366 CB ALA A 24 21.872 -1.478 -4.548 1.00 60.12 C ATOM 0 H ALA A 24 21.403 1.282 -3.020 1.00 33.33 H new ATOM 0 HA ALA A 24 23.364 0.054 -4.562 1.00 62.32 H new ATOM 0 HB1 ALA A 24 22.095 -1.820 -5.559 1.00 60.12 H new ATOM 0 HB2 ALA A 24 22.419 -2.088 -3.829 1.00 60.12 H new ATOM 0 HB3 ALA A 24 20.802 -1.571 -4.362 1.00 60.12 H new