USER MOD reduce.3.24.130724 H: found=0, std=0, add=152, rem=0, adj=3 USER MOD reduce.3.24.130724 removed 153 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 361 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 363 LYS NZ :NH3+ 152:sc= 0 (180deg=-0.384) USER MOD Single : A 364 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 368 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 371 ASN :FLIP amide:sc= -1.7! C(o=-2.5!,f=-1.7!) USER MOD Single : A 372 THR OG1 : rot 180:sc= 0 USER MOD Single : A 375 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 202 N ALA A 359 -5.831 7.208 -4.763 1.00 0.00 N ATOM 203 CA ALA A 359 -5.000 7.481 -3.596 1.00 0.00 C ATOM 204 C ALA A 359 -4.576 6.180 -2.924 1.00 0.00 C ATOM 205 O ALA A 359 -3.399 5.979 -2.620 1.00 0.00 O ATOM 206 CB ALA A 359 -5.769 8.347 -2.597 1.00 0.00 C ATOM 0 HA ALA A 359 -4.108 8.014 -3.926 1.00 0.00 H new ATOM 0 HB1 ALA A 359 -5.141 8.546 -1.729 1.00 0.00 H new ATOM 0 HB2 ALA A 359 -6.044 9.290 -3.069 1.00 0.00 H new ATOM 0 HB3 ALA A 359 -6.671 7.823 -2.280 1.00 0.00 H new ATOM 212 N GLU A 360 -5.542 5.295 -2.696 1.00 0.00 N ATOM 213 CA GLU A 360 -5.259 4.016 -2.059 1.00 0.00 C ATOM 214 C GLU A 360 -4.278 3.203 -2.896 1.00 0.00 C ATOM 215 O GLU A 360 -3.317 2.640 -2.371 1.00 0.00 O ATOM 216 CB GLU A 360 -6.554 3.229 -1.879 1.00 0.00 C ATOM 217 CG GLU A 360 -7.198 3.601 -0.541 1.00 0.00 C ATOM 218 CD GLU A 360 -7.609 2.340 0.209 1.00 0.00 C ATOM 219 OE1 GLU A 360 -8.800 2.136 0.378 1.00 0.00 O ATOM 220 OE2 GLU A 360 -6.725 1.597 0.607 1.00 0.00 O ATOM 0 H GLU A 360 -6.521 5.440 -2.942 1.00 0.00 H new ATOM 0 HA GLU A 360 -4.811 4.208 -1.084 1.00 0.00 H new ATOM 0 HB2 GLU A 360 -7.240 3.446 -2.697 1.00 0.00 H new ATOM 0 HB3 GLU A 360 -6.349 2.159 -1.911 1.00 0.00 H new ATOM 0 HG2 GLU A 360 -6.497 4.180 0.061 1.00 0.00 H new ATOM 0 HG3 GLU A 360 -8.070 4.233 -0.711 1.00 0.00 H new ATOM 227 N MET A 361 -4.526 3.148 -4.200 1.00 0.00 N ATOM 228 CA MET A 361 -3.656 2.400 -5.102 1.00 0.00 C ATOM 229 C MET A 361 -2.242 2.973 -5.079 1.00 0.00 C ATOM 230 O MET A 361 -1.263 2.232 -4.982 1.00 0.00 O ATOM 231 CB MET A 361 -4.209 2.455 -6.527 1.00 0.00 C ATOM 232 CG MET A 361 -3.482 3.546 -7.315 1.00 0.00 C ATOM 233 SD MET A 361 -4.062 3.538 -9.029 1.00 0.00 S ATOM 234 CE MET A 361 -2.775 2.457 -9.700 1.00 0.00 C ATOM 0 H MET A 361 -5.315 3.608 -4.654 1.00 0.00 H new ATOM 0 HA MET A 361 -3.621 1.363 -4.767 1.00 0.00 H new ATOM 0 HB2 MET A 361 -4.079 1.490 -7.017 1.00 0.00 H new ATOM 0 HB3 MET A 361 -5.279 2.659 -6.505 1.00 0.00 H new ATOM 0 HG2 MET A 361 -3.665 4.520 -6.862 1.00 0.00 H new ATOM 0 HG3 MET A 361 -2.406 3.377 -7.283 1.00 0.00 H new ATOM 0 HE1 MET A 361 -2.941 2.313 -10.768 1.00 0.00 H new ATOM 0 HE2 MET A 361 -1.798 2.914 -9.543 1.00 0.00 H new ATOM 0 HE3 MET A 361 -2.810 1.492 -9.194 1.00 0.00 H new ATOM 244 N GLU A 362 -2.144 4.296 -5.168 1.00 0.00 N ATOM 245 CA GLU A 362 -0.845 4.958 -5.156 1.00 0.00 C ATOM 246 C GLU A 362 -0.197 4.840 -3.779 1.00 0.00 C ATOM 247 O GLU A 362 1.027 4.807 -3.659 1.00 0.00 O ATOM 248 CB GLU A 362 -1.008 6.434 -5.520 1.00 0.00 C ATOM 249 CG GLU A 362 -1.392 6.556 -6.997 1.00 0.00 C ATOM 250 CD GLU A 362 -0.314 5.924 -7.869 1.00 0.00 C ATOM 251 OE1 GLU A 362 0.843 5.975 -7.480 1.00 0.00 O ATOM 252 OE2 GLU A 362 -0.658 5.398 -8.915 1.00 0.00 O ATOM 0 H GLU A 362 -2.942 4.926 -5.249 1.00 0.00 H new ATOM 0 HA GLU A 362 -0.203 4.472 -5.891 1.00 0.00 H new ATOM 0 HB2 GLU A 362 -1.775 6.891 -4.895 1.00 0.00 H new ATOM 0 HB3 GLU A 362 -0.079 6.971 -5.329 1.00 0.00 H new ATOM 0 HG2 GLU A 362 -2.349 6.065 -7.174 1.00 0.00 H new ATOM 0 HG3 GLU A 362 -1.518 7.605 -7.263 1.00 0.00 H new ATOM 259 N LYS A 363 -1.028 4.775 -2.744 1.00 0.00 N ATOM 260 CA LYS A 363 -0.528 4.660 -1.380 1.00 0.00 C ATOM 261 C LYS A 363 0.177 3.323 -1.179 1.00 0.00 C ATOM 262 O LYS A 363 1.297 3.270 -0.669 1.00 0.00 O ATOM 263 CB LYS A 363 -1.684 4.784 -0.386 1.00 0.00 C ATOM 264 CG LYS A 363 -1.357 5.864 0.647 1.00 0.00 C ATOM 265 CD LYS A 363 -0.863 5.207 1.936 1.00 0.00 C ATOM 266 CE LYS A 363 0.279 4.241 1.611 1.00 0.00 C ATOM 267 NZ LYS A 363 0.899 3.759 2.879 1.00 0.00 N ATOM 0 H LYS A 363 -2.045 4.800 -2.823 1.00 0.00 H new ATOM 0 HA LYS A 363 0.186 5.465 -1.207 1.00 0.00 H new ATOM 0 HB2 LYS A 363 -2.604 5.036 -0.912 1.00 0.00 H new ATOM 0 HB3 LYS A 363 -1.853 3.829 0.112 1.00 0.00 H new ATOM 0 HG2 LYS A 363 -0.595 6.538 0.255 1.00 0.00 H new ATOM 0 HG3 LYS A 363 -2.242 6.467 0.850 1.00 0.00 H new ATOM 0 HD2 LYS A 363 -0.521 5.968 2.637 1.00 0.00 H new ATOM 0 HD3 LYS A 363 -1.680 4.672 2.420 1.00 0.00 H new ATOM 0 HE2 LYS A 363 -0.098 3.396 1.034 1.00 0.00 H new ATOM 0 HE3 LYS A 363 1.027 4.740 0.995 1.00 0.00 H new ATOM 0 HZ1 LYS A 363 1.306 2.814 2.729 1.00 0.00 H new ATOM 0 HZ2 LYS A 363 1.650 4.417 3.170 1.00 0.00 H new ATOM 0 HZ3 LYS A 363 0.174 3.710 3.623 1.00 0.00 H new ATOM 281 N LYS A 364 -0.485 2.243 -1.585 1.00 0.00 N ATOM 282 CA LYS A 364 0.087 0.909 -1.444 1.00 0.00 C ATOM 283 C LYS A 364 1.288 0.741 -2.369 1.00 0.00 C ATOM 284 O LYS A 364 2.337 0.246 -1.959 1.00 0.00 O ATOM 285 CB LYS A 364 -0.967 -0.148 -1.775 1.00 0.00 C ATOM 286 CG LYS A 364 -1.545 0.124 -3.166 1.00 0.00 C ATOM 287 CD LYS A 364 -2.644 -0.899 -3.471 1.00 0.00 C ATOM 288 CE LYS A 364 -2.568 -1.306 -4.942 1.00 0.00 C ATOM 289 NZ LYS A 364 -3.129 -2.676 -5.108 1.00 0.00 N ATOM 0 H LYS A 364 -1.411 2.265 -2.011 1.00 0.00 H new ATOM 0 HA LYS A 364 0.417 0.782 -0.413 1.00 0.00 H new ATOM 0 HB2 LYS A 364 -0.522 -1.143 -1.743 1.00 0.00 H new ATOM 0 HB3 LYS A 364 -1.762 -0.130 -1.029 1.00 0.00 H new ATOM 0 HG2 LYS A 364 -1.951 1.135 -3.212 1.00 0.00 H new ATOM 0 HG3 LYS A 364 -0.758 0.063 -3.917 1.00 0.00 H new ATOM 0 HD2 LYS A 364 -2.527 -1.775 -2.834 1.00 0.00 H new ATOM 0 HD3 LYS A 364 -3.623 -0.473 -3.251 1.00 0.00 H new ATOM 0 HE2 LYS A 364 -3.124 -0.597 -5.556 1.00 0.00 H new ATOM 0 HE3 LYS A 364 -1.533 -1.281 -5.284 1.00 0.00 H new ATOM 0 HZ1 LYS A 364 -3.077 -2.953 -6.109 1.00 0.00 H new ATOM 0 HZ2 LYS A 364 -2.580 -3.348 -4.534 1.00 0.00 H new ATOM 0 HZ3 LYS A 364 -4.121 -2.685 -4.797 1.00 0.00 H new ATOM 303 N ILE A 365 1.126 1.157 -3.623 1.00 0.00 N ATOM 304 CA ILE A 365 2.203 1.046 -4.598 1.00 0.00 C ATOM 305 C ILE A 365 3.444 1.788 -4.115 1.00 0.00 C ATOM 306 O ILE A 365 4.557 1.263 -4.175 1.00 0.00 O ATOM 307 CB ILE A 365 1.752 1.622 -5.939 1.00 0.00 C ATOM 308 CG1 ILE A 365 0.974 0.557 -6.714 1.00 0.00 C ATOM 309 CG2 ILE A 365 2.977 2.049 -6.751 1.00 0.00 C ATOM 310 CD1 ILE A 365 1.340 0.633 -8.197 1.00 0.00 C ATOM 0 H ILE A 365 0.266 1.570 -3.984 1.00 0.00 H new ATOM 0 HA ILE A 365 2.450 -0.009 -4.719 1.00 0.00 H new ATOM 0 HB ILE A 365 1.112 2.487 -5.765 1.00 0.00 H new ATOM 0 HG12 ILE A 365 1.205 -0.434 -6.322 1.00 0.00 H new ATOM 0 HG13 ILE A 365 -0.098 0.709 -6.585 1.00 0.00 H new ATOM 0 HG21 ILE A 365 2.654 2.460 -7.708 1.00 0.00 H new ATOM 0 HG22 ILE A 365 3.533 2.807 -6.199 1.00 0.00 H new ATOM 0 HG23 ILE A 365 3.618 1.184 -6.925 1.00 0.00 H new ATOM 0 HD11 ILE A 365 0.785 -0.126 -8.748 1.00 0.00 H new ATOM 0 HD12 ILE A 365 1.087 1.620 -8.584 1.00 0.00 H new ATOM 0 HD13 ILE A 365 2.409 0.460 -8.317 1.00 0.00 H new ATOM 322 N ARG A 366 3.245 3.010 -3.636 1.00 0.00 N ATOM 323 CA ARG A 366 4.356 3.817 -3.143 1.00 0.00 C ATOM 324 C ARG A 366 4.984 3.170 -1.914 1.00 0.00 C ATOM 325 O ARG A 366 6.207 3.100 -1.793 1.00 0.00 O ATOM 326 CB ARG A 366 3.864 5.222 -2.787 1.00 0.00 C ATOM 327 CG ARG A 366 3.578 5.299 -1.286 1.00 0.00 C ATOM 328 CD ARG A 366 2.926 6.643 -0.958 1.00 0.00 C ATOM 329 NE ARG A 366 3.528 7.704 -1.758 1.00 0.00 N ATOM 330 CZ ARG A 366 3.559 8.959 -1.322 1.00 0.00 C ATOM 331 NH1 ARG A 366 3.046 9.259 -0.161 1.00 0.00 N ATOM 332 NH2 ARG A 366 4.102 9.892 -2.056 1.00 0.00 N ATOM 0 H ARG A 366 2.332 3.462 -3.578 1.00 0.00 H new ATOM 0 HA ARG A 366 5.108 3.884 -3.929 1.00 0.00 H new ATOM 0 HB2 ARG A 366 4.615 5.962 -3.063 1.00 0.00 H new ATOM 0 HB3 ARG A 366 2.962 5.457 -3.352 1.00 0.00 H new ATOM 0 HG2 ARG A 366 2.921 4.482 -0.988 1.00 0.00 H new ATOM 0 HG3 ARG A 366 4.504 5.185 -0.722 1.00 0.00 H new ATOM 0 HD2 ARG A 366 1.855 6.593 -1.154 1.00 0.00 H new ATOM 0 HD3 ARG A 366 3.046 6.865 0.102 1.00 0.00 H new ATOM 0 HE ARG A 366 3.932 7.479 -2.667 1.00 0.00 H new ATOM 0 HH11 ARG A 366 2.621 8.530 0.412 1.00 0.00 H new ATOM 0 HH12 ARG A 366 3.070 10.222 0.174 1.00 0.00 H new ATOM 0 HH21 ARG A 366 4.503 9.658 -2.964 1.00 0.00 H new ATOM 0 HH22 ARG A 366 4.126 10.855 -1.721 1.00 0.00 H new ATOM 346 N ASP A 367 4.139 2.697 -1.005 1.00 0.00 N ATOM 347 CA ASP A 367 4.620 2.056 0.212 1.00 0.00 C ATOM 348 C ASP A 367 5.373 0.771 -0.121 1.00 0.00 C ATOM 349 O ASP A 367 6.455 0.520 0.405 1.00 0.00 O ATOM 350 CB ASP A 367 3.444 1.735 1.135 1.00 0.00 C ATOM 351 CG ASP A 367 3.942 1.524 2.561 1.00 0.00 C ATOM 352 OD1 ASP A 367 4.137 0.379 2.936 1.00 0.00 O ATOM 353 OD2 ASP A 367 4.122 2.509 3.257 1.00 0.00 O ATOM 0 H ASP A 367 3.123 2.745 -1.087 1.00 0.00 H new ATOM 0 HA ASP A 367 5.300 2.743 0.717 1.00 0.00 H new ATOM 0 HB2 ASP A 367 2.719 2.549 1.111 1.00 0.00 H new ATOM 0 HB3 ASP A 367 2.930 0.840 0.785 1.00 0.00 H new ATOM 358 N GLN A 368 4.790 -0.037 -1.001 1.00 0.00 N ATOM 359 CA GLN A 368 5.415 -1.294 -1.398 1.00 0.00 C ATOM 360 C GLN A 368 6.674 -1.029 -2.212 1.00 0.00 C ATOM 361 O GLN A 368 7.599 -1.842 -2.231 1.00 0.00 O ATOM 362 CB GLN A 368 4.434 -2.129 -2.223 1.00 0.00 C ATOM 363 CG GLN A 368 4.371 -3.551 -1.657 1.00 0.00 C ATOM 364 CD GLN A 368 4.392 -4.565 -2.794 1.00 0.00 C ATOM 365 OE1 GLN A 368 5.447 -4.827 -3.374 1.00 0.00 O ATOM 366 NE2 GLN A 368 3.284 -5.157 -3.150 1.00 0.00 N ATOM 0 H GLN A 368 3.894 0.153 -1.449 1.00 0.00 H new ATOM 0 HA GLN A 368 5.688 -1.844 -0.497 1.00 0.00 H new ATOM 0 HB2 GLN A 368 3.444 -1.673 -2.201 1.00 0.00 H new ATOM 0 HB3 GLN A 368 4.750 -2.155 -3.266 1.00 0.00 H new ATOM 0 HG2 GLN A 368 5.215 -3.723 -0.989 1.00 0.00 H new ATOM 0 HG3 GLN A 368 3.465 -3.676 -1.064 1.00 0.00 H new ATOM 0 HE21 GLN A 368 2.412 -4.939 -2.669 1.00 0.00 H new ATOM 0 HE22 GLN A 368 3.291 -5.838 -3.910 1.00 0.00 H new ATOM 375 N ASP A 369 6.702 0.114 -2.884 1.00 0.00 N ATOM 376 CA ASP A 369 7.852 0.485 -3.699 1.00 0.00 C ATOM 377 C ASP A 369 9.018 0.908 -2.814 1.00 0.00 C ATOM 378 O ASP A 369 10.172 0.579 -3.091 1.00 0.00 O ATOM 379 CB ASP A 369 7.478 1.633 -4.640 1.00 0.00 C ATOM 380 CG ASP A 369 8.741 2.291 -5.186 1.00 0.00 C ATOM 381 OD1 ASP A 369 8.846 3.502 -5.084 1.00 0.00 O ATOM 382 OD2 ASP A 369 9.584 1.574 -5.699 1.00 0.00 O ATOM 0 H ASP A 369 5.945 0.798 -2.882 1.00 0.00 H new ATOM 0 HA ASP A 369 8.153 -0.382 -4.288 1.00 0.00 H new ATOM 0 HB2 ASP A 369 6.869 1.257 -5.462 1.00 0.00 H new ATOM 0 HB3 ASP A 369 6.875 2.369 -4.108 1.00 0.00 H new ATOM 387 N ARG A 370 8.707 1.633 -1.750 1.00 0.00 N ATOM 388 CA ARG A 370 9.733 2.096 -0.824 1.00 0.00 C ATOM 389 C ARG A 370 10.257 0.933 0.014 1.00 0.00 C ATOM 390 O ARG A 370 11.452 0.846 0.295 1.00 0.00 O ATOM 391 CB ARG A 370 9.159 3.175 0.098 1.00 0.00 C ATOM 392 CG ARG A 370 9.081 4.503 -0.658 1.00 0.00 C ATOM 393 CD ARG A 370 8.853 5.643 0.335 1.00 0.00 C ATOM 394 NE ARG A 370 7.750 5.319 1.232 1.00 0.00 N ATOM 395 CZ ARG A 370 7.032 6.275 1.811 1.00 0.00 C ATOM 396 NH1 ARG A 370 7.310 7.530 1.581 1.00 0.00 N ATOM 397 NH2 ARG A 370 6.050 5.961 2.610 1.00 0.00 N ATOM 0 H ARG A 370 7.757 1.913 -1.506 1.00 0.00 H new ATOM 0 HA ARG A 370 10.557 2.516 -1.402 1.00 0.00 H new ATOM 0 HB2 ARG A 370 8.168 2.883 0.444 1.00 0.00 H new ATOM 0 HB3 ARG A 370 9.786 3.284 0.983 1.00 0.00 H new ATOM 0 HG2 ARG A 370 10.003 4.671 -1.215 1.00 0.00 H new ATOM 0 HG3 ARG A 370 8.270 4.472 -1.385 1.00 0.00 H new ATOM 0 HD2 ARG A 370 9.761 5.819 0.912 1.00 0.00 H new ATOM 0 HD3 ARG A 370 8.634 6.565 -0.203 1.00 0.00 H new ATOM 0 HE ARG A 370 7.526 4.341 1.418 1.00 0.00 H new ATOM 0 HH11 ARG A 370 8.078 7.776 0.957 1.00 0.00 H new ATOM 0 HH12 ARG A 370 6.759 8.264 2.025 1.00 0.00 H new ATOM 0 HH21 ARG A 370 5.833 4.981 2.791 1.00 0.00 H new ATOM 0 HH22 ARG A 370 5.499 6.696 3.054 1.00 0.00 H new ATOM 411 N ASN A 371 9.353 0.043 0.408 1.00 0.00 N ATOM 412 CA ASN A 371 9.735 -1.113 1.212 1.00 0.00 C ATOM 413 C ASN A 371 10.585 -2.077 0.392 1.00 0.00 C ATOM 414 O ASN A 371 11.651 -2.507 0.829 1.00 0.00 O ATOM 415 CB ASN A 371 8.484 -1.834 1.717 1.00 0.00 C ATOM 416 CG ASN A 371 8.446 -3.257 1.170 1.00 0.00 C ATOM 417 OD1 ASN A 371 7.997 -3.472 -0.036 1.00 0.00 O flip ATOM 418 ND2 ASN A 371 8.837 -4.198 1.861 1.00 0.00 N flip ATOM 0 H ASN A 371 8.359 0.098 0.186 1.00 0.00 H new ATOM 0 HA ASN A 371 10.320 -0.764 2.063 1.00 0.00 H new ATOM 0 HB2 ASN A 371 8.481 -1.854 2.807 1.00 0.00 H new ATOM 0 HB3 ASN A 371 7.591 -1.292 1.406 1.00 0.00 H new ATOM 0 HD21 ASN A 371 9.188 -4.027 2.804 1.00 0.00 H new ATOM 0 HD22 ASN A 371 8.810 -5.148 1.491 1.00 0.00 H new ATOM 425 N THR A 372 10.104 -2.413 -0.802 1.00 0.00 N ATOM 426 CA THR A 372 10.830 -3.329 -1.675 1.00 0.00 C ATOM 427 C THR A 372 12.172 -2.727 -2.082 1.00 0.00 C ATOM 428 O THR A 372 13.204 -3.396 -2.028 1.00 0.00 O ATOM 429 CB THR A 372 10.002 -3.625 -2.927 1.00 0.00 C ATOM 430 OG1 THR A 372 9.527 -4.964 -2.872 1.00 0.00 O ATOM 431 CG2 THR A 372 10.869 -3.440 -4.173 1.00 0.00 C ATOM 0 H THR A 372 9.223 -2.068 -1.184 1.00 0.00 H new ATOM 0 HA THR A 372 11.008 -4.256 -1.131 1.00 0.00 H new ATOM 0 HB THR A 372 9.156 -2.939 -2.973 1.00 0.00 H new ATOM 0 HG1 THR A 372 8.995 -5.155 -3.672 1.00 0.00 H new ATOM 0 HG21 THR A 372 10.277 -3.652 -5.063 1.00 0.00 H new ATOM 0 HG22 THR A 372 11.232 -2.413 -4.214 1.00 0.00 H new ATOM 0 HG23 THR A 372 11.717 -4.123 -4.131 1.00 0.00 H new ATOM 439 N ARG A 373 12.149 -1.462 -2.488 1.00 0.00 N ATOM 440 CA ARG A 373 13.371 -0.781 -2.900 1.00 0.00 C ATOM 441 C ARG A 373 14.292 -0.562 -1.704 1.00 0.00 C ATOM 442 O ARG A 373 15.512 -0.502 -1.850 1.00 0.00 O ATOM 443 CB ARG A 373 13.029 0.568 -3.536 1.00 0.00 C ATOM 444 CG ARG A 373 12.616 0.356 -4.994 1.00 0.00 C ATOM 445 CD ARG A 373 13.452 1.264 -5.899 1.00 0.00 C ATOM 446 NE ARG A 373 12.582 2.092 -6.725 1.00 0.00 N ATOM 447 CZ ARG A 373 12.183 3.292 -6.314 1.00 0.00 C ATOM 448 NH1 ARG A 373 12.568 3.746 -5.153 1.00 0.00 N ATOM 449 NH2 ARG A 373 11.402 4.015 -7.072 1.00 0.00 N ATOM 0 H ARG A 373 11.305 -0.891 -2.541 1.00 0.00 H new ATOM 0 HA ARG A 373 13.884 -1.407 -3.630 1.00 0.00 H new ATOM 0 HB2 ARG A 373 12.220 1.047 -2.984 1.00 0.00 H new ATOM 0 HB3 ARG A 373 13.890 1.235 -3.484 1.00 0.00 H new ATOM 0 HG2 ARG A 373 12.759 -0.687 -5.276 1.00 0.00 H new ATOM 0 HG3 ARG A 373 11.556 0.577 -5.119 1.00 0.00 H new ATOM 0 HD2 ARG A 373 14.100 1.897 -5.292 1.00 0.00 H new ATOM 0 HD3 ARG A 373 14.100 0.660 -6.533 1.00 0.00 H new ATOM 0 HE ARG A 373 12.274 1.745 -7.633 1.00 0.00 H new ATOM 0 HH11 ARG A 373 13.175 3.180 -4.560 1.00 0.00 H new ATOM 0 HH12 ARG A 373 12.262 4.667 -4.838 1.00 0.00 H new ATOM 0 HH21 ARG A 373 11.099 3.659 -7.978 1.00 0.00 H new ATOM 0 HH22 ARG A 373 11.096 4.936 -6.757 1.00 0.00 H new ATOM 463 N ARG A 374 13.698 -0.445 -0.521 1.00 0.00 N ATOM 464 CA ARG A 374 14.474 -0.234 0.694 1.00 0.00 C ATOM 465 C ARG A 374 15.241 -1.499 1.067 1.00 0.00 C ATOM 466 O ARG A 374 16.413 -1.438 1.443 1.00 0.00 O ATOM 467 CB ARG A 374 13.546 0.159 1.846 1.00 0.00 C ATOM 468 CG ARG A 374 13.487 1.684 1.955 1.00 0.00 C ATOM 469 CD ARG A 374 13.727 2.101 3.407 1.00 0.00 C ATOM 470 NE ARG A 374 12.770 1.439 4.287 1.00 0.00 N ATOM 471 CZ ARG A 374 11.473 1.727 4.234 1.00 0.00 C ATOM 472 NH1 ARG A 374 11.037 2.618 3.385 1.00 0.00 N ATOM 473 NH2 ARG A 374 10.637 1.121 5.032 1.00 0.00 N ATOM 0 H ARG A 374 12.689 -0.492 -0.379 1.00 0.00 H new ATOM 0 HA ARG A 374 15.187 0.570 0.511 1.00 0.00 H new ATOM 0 HB2 ARG A 374 12.547 -0.243 1.676 1.00 0.00 H new ATOM 0 HB3 ARG A 374 13.907 -0.270 2.781 1.00 0.00 H new ATOM 0 HG2 ARG A 374 14.239 2.135 1.307 1.00 0.00 H new ATOM 0 HG3 ARG A 374 12.516 2.046 1.617 1.00 0.00 H new ATOM 0 HD2 ARG A 374 14.744 1.843 3.704 1.00 0.00 H new ATOM 0 HD3 ARG A 374 13.632 3.183 3.503 1.00 0.00 H new ATOM 0 HE ARG A 374 13.102 0.743 4.955 1.00 0.00 H new ATOM 0 HH11 ARG A 374 11.691 3.093 2.763 1.00 0.00 H new ATOM 0 HH12 ARG A 374 10.042 2.839 3.344 1.00 0.00 H new ATOM 0 HH21 ARG A 374 10.979 0.426 5.696 1.00 0.00 H new ATOM 0 HH22 ARG A 374 9.642 1.342 4.991 1.00 0.00 H new ATOM 487 N MET A 375 14.574 -2.643 0.960 1.00 0.00 N ATOM 488 CA MET A 375 15.205 -3.916 1.290 1.00 0.00 C ATOM 489 C MET A 375 16.095 -4.390 0.146 1.00 0.00 C ATOM 490 O MET A 375 17.046 -5.141 0.356 1.00 0.00 O ATOM 491 CB MET A 375 14.134 -4.972 1.578 1.00 0.00 C ATOM 492 CG MET A 375 13.707 -4.879 3.044 1.00 0.00 C ATOM 493 SD MET A 375 14.263 -6.356 3.929 1.00 0.00 S ATOM 494 CE MET A 375 12.678 -6.769 4.700 1.00 0.00 C ATOM 0 H MET A 375 13.605 -2.716 0.650 1.00 0.00 H new ATOM 0 HA MET A 375 15.822 -3.772 2.177 1.00 0.00 H new ATOM 0 HB2 MET A 375 13.273 -4.819 0.927 1.00 0.00 H new ATOM 0 HB3 MET A 375 14.523 -5.968 1.364 1.00 0.00 H new ATOM 0 HG2 MET A 375 14.132 -3.986 3.502 1.00 0.00 H new ATOM 0 HG3 MET A 375 12.623 -4.787 3.113 1.00 0.00 H new ATOM 0 HE1 MET A 375 12.791 -7.668 5.306 1.00 0.00 H new ATOM 0 HE2 MET A 375 12.355 -5.943 5.333 1.00 0.00 H new ATOM 0 HE3 MET A 375 11.932 -6.946 3.925 1.00 0.00 H new