USER MOD reduce.3.24.130724 H: found=0, std=0, add=41, rem=0, adj=0 USER MOD reduce.3.24.130724 removed 42 hydrogens (0 hets) ATOM 226 N TRP A 45 55.147 10.738 4.844 1.00 0.00 N ATOM 227 CA TRP A 45 56.545 10.793 5.240 1.00 0.00 C ATOM 228 C TRP A 45 56.960 9.415 5.759 1.00 0.00 C ATOM 229 O TRP A 45 56.362 8.845 6.679 1.00 0.00 O ATOM 230 CB TRP A 45 56.924 11.884 6.299 1.00 0.00 C ATOM 231 CG TRP A 45 58.436 12.064 6.532 1.00 0.00 C ATOM 232 CD1 TRP A 45 59.273 11.355 7.357 1.00 0.00 C ATOM 233 CD2 TRP A 45 59.279 13.020 5.850 1.00 0.00 C ATOM 234 NE1 TRP A 45 60.571 11.774 7.217 1.00 0.00 N ATOM 235 CE2 TRP A 45 60.600 12.803 6.299 1.00 0.00 C ATOM 236 CE3 TRP A 45 58.990 14.009 4.919 1.00 0.00 C ATOM 237 CZ2 TRP A 45 61.653 13.566 5.819 1.00 0.00 C ATOM 238 CZ3 TRP A 45 60.054 14.766 4.424 1.00 0.00 C ATOM 239 CH2 TRP A 45 61.362 14.550 4.868 1.00 0.00 C ATOM 0 HA TRP A 45 57.088 11.086 4.341 1.00 0.00 H new ATOM 0 HB2 TRP A 45 56.504 12.839 5.982 1.00 0.00 H new ATOM 0 HB3 TRP A 45 56.453 11.628 7.248 1.00 0.00 H new ATOM 0 HD1 TRP A 45 58.952 10.571 8.027 1.00 0.00 H new ATOM 0 HE1 TRP A 45 61.378 11.390 7.708 1.00 0.00 H new ATOM 0 HE3 TRP A 45 57.977 14.187 4.589 1.00 0.00 H new ATOM 0 HZ2 TRP A 45 62.663 13.406 6.167 1.00 0.00 H new ATOM 0 HZ3 TRP A 45 59.863 15.531 3.686 1.00 0.00 H new ATOM 0 HH2 TRP A 45 62.163 15.154 4.469 1.00 0.00 H new ATOM 250 N ARG A 46 58.037 8.892 5.131 1.00 0.00 N ATOM 251 CA ARG A 46 58.718 7.637 5.394 1.00 0.00 C ATOM 252 C ARG A 46 59.920 8.068 6.217 1.00 0.00 C ATOM 253 O ARG A 46 60.725 8.878 5.737 1.00 0.00 O ATOM 254 CB ARG A 46 59.246 6.918 4.112 1.00 0.00 C ATOM 255 CG ARG A 46 58.171 6.315 3.174 1.00 0.00 C ATOM 256 CD ARG A 46 58.602 6.097 1.701 1.00 0.00 C ATOM 257 NE ARG A 46 59.949 5.402 1.570 1.00 0.00 N ATOM 258 CZ ARG A 46 60.224 4.092 1.878 1.00 0.00 C ATOM 259 NH1 ARG A 46 59.253 3.199 2.225 1.00 0.00 N ATOM 260 NH2 ARG A 46 61.517 3.654 1.803 1.00 0.00 N ATOM 0 H ARG A 46 58.479 9.395 4.361 1.00 0.00 H new ATOM 0 HA ARG A 46 58.038 6.929 5.868 1.00 0.00 H new ATOM 0 HB2 ARG A 46 59.839 7.631 3.539 1.00 0.00 H new ATOM 0 HB3 ARG A 46 59.919 6.118 4.421 1.00 0.00 H new ATOM 0 HG2 ARG A 46 57.854 5.356 3.585 1.00 0.00 H new ATOM 0 HG3 ARG A 46 57.300 6.970 3.184 1.00 0.00 H new ATOM 0 HD2 ARG A 46 57.843 5.504 1.191 1.00 0.00 H new ATOM 0 HD3 ARG A 46 58.647 7.062 1.195 1.00 0.00 H new ATOM 0 HE ARG A 46 60.724 5.964 1.219 1.00 0.00 H new ATOM 0 HH11 ARG A 46 58.278 3.495 2.263 1.00 0.00 H new ATOM 0 HH12 ARG A 46 59.502 2.235 2.446 1.00 0.00 H new ATOM 0 HH21 ARG A 46 62.258 4.297 1.522 1.00 0.00 H new ATOM 0 HH22 ARG A 46 61.741 2.685 2.028 1.00 0.00 H new ATOM 274 N GLU A 47 60.072 7.542 7.474 1.00 0.00 N ATOM 275 CA GLU A 47 61.195 7.880 8.352 1.00 0.00 C ATOM 276 C GLU A 47 62.365 6.989 7.911 1.00 0.00 C ATOM 277 O GLU A 47 62.698 5.981 8.539 1.00 0.00 O ATOM 278 CB GLU A 47 60.927 7.798 9.894 1.00 0.00 C ATOM 279 CG GLU A 47 59.776 8.649 10.494 1.00 0.00 C ATOM 280 CD GLU A 47 58.381 8.124 10.128 1.00 0.00 C ATOM 281 OE1 GLU A 47 58.045 6.975 10.525 1.00 0.00 O ATOM 282 OE2 GLU A 47 57.623 8.877 9.459 1.00 0.00 O ATOM 0 H GLU A 47 59.415 6.879 7.885 1.00 0.00 H new ATOM 0 HA GLU A 47 61.411 8.942 8.232 1.00 0.00 H new ATOM 0 HB2 GLU A 47 60.731 6.755 10.141 1.00 0.00 H new ATOM 0 HB3 GLU A 47 61.848 8.079 10.405 1.00 0.00 H new ATOM 0 HG2 GLU A 47 59.876 8.670 11.579 1.00 0.00 H new ATOM 0 HG3 GLU A 47 59.873 9.677 10.145 1.00 0.00 H new ATOM 289 N ARG A 48 62.976 7.388 6.754 1.00 0.00 N ATOM 290 CA ARG A 48 64.088 6.739 6.017 1.00 0.00 C ATOM 291 C ARG A 48 63.935 5.206 5.823 1.00 0.00 C ATOM 292 O ARG A 48 64.926 4.472 5.780 1.00 0.00 O ATOM 293 CB ARG A 48 65.488 7.194 6.583 1.00 0.00 C ATOM 294 CG ARG A 48 66.479 7.801 5.555 1.00 0.00 C ATOM 295 CD ARG A 48 66.048 9.170 4.992 1.00 0.00 C ATOM 296 NE ARG A 48 67.098 9.685 4.039 1.00 0.00 N ATOM 297 CZ ARG A 48 67.059 10.900 3.400 1.00 0.00 C ATOM 298 NH1 ARG A 48 66.004 11.761 3.514 1.00 0.00 N ATOM 299 NH2 ARG A 48 68.119 11.255 2.613 1.00 0.00 N ATOM 0 H ARG A 48 62.674 8.240 6.282 1.00 0.00 H new ATOM 0 HA ARG A 48 64.032 7.106 4.992 1.00 0.00 H new ATOM 0 HB2 ARG A 48 65.317 7.929 7.369 1.00 0.00 H new ATOM 0 HB3 ARG A 48 65.965 6.333 7.051 1.00 0.00 H new ATOM 0 HG2 ARG A 48 67.456 7.907 6.028 1.00 0.00 H new ATOM 0 HG3 ARG A 48 66.599 7.102 4.727 1.00 0.00 H new ATOM 0 HD2 ARG A 48 65.091 9.077 4.478 1.00 0.00 H new ATOM 0 HD3 ARG A 48 65.904 9.880 5.807 1.00 0.00 H new ATOM 0 HE ARG A 48 67.901 9.083 3.855 1.00 0.00 H new ATOM 0 HH11 ARG A 48 65.202 11.511 4.092 1.00 0.00 H new ATOM 0 HH12 ARG A 48 66.019 12.654 3.021 1.00 0.00 H new ATOM 0 HH21 ARG A 48 68.913 10.623 2.512 1.00 0.00 H new ATOM 0 HH22 ARG A 48 68.116 12.152 2.127 1.00 0.00 H new