USER MOD reduce.3.24.130724 H: found=0, std=0, add=152, rem=0, adj=4 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 Set 1.1: A 372 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 375 MET CE :methyl 152:sc= -0.166 (180deg=-1.06) USER MOD Single : A 361 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 363 LYS NZ :NH3+ -138:sc= -0.52 (180deg=-1.29!) USER MOD Single : A 364 LYS NZ :NH3+ -147:sc= -0.358 (180deg=-1.55!) USER MOD Single : A 368 GLN : amide:sc= -0.347 K(o=-0.35,f=-3.1!) USER MOD Single : A 371 ASN : amide:sc= -0.843 K(o=-0.84,f=-0.11) USER MOD ----------------------------------------------------------------- ATOM 202 N ALA A 359 -5.687 7.122 -4.709 1.00 0.00 N ATOM 203 CA ALA A 359 -5.017 7.339 -3.432 1.00 0.00 C ATOM 204 C ALA A 359 -4.609 6.008 -2.807 1.00 0.00 C ATOM 205 O ALA A 359 -3.469 5.837 -2.375 1.00 0.00 O ATOM 206 CB ALA A 359 -5.947 8.090 -2.476 1.00 0.00 C ATOM 0 HA ALA A 359 -4.121 7.933 -3.610 1.00 0.00 H new ATOM 0 HB1 ALA A 359 -5.440 8.248 -1.524 1.00 0.00 H new ATOM 0 HB2 ALA A 359 -6.214 9.054 -2.910 1.00 0.00 H new ATOM 0 HB3 ALA A 359 -6.851 7.503 -2.312 1.00 0.00 H new ATOM 212 N GLU A 360 -5.548 5.068 -2.764 1.00 0.00 N ATOM 213 CA GLU A 360 -5.275 3.757 -2.190 1.00 0.00 C ATOM 214 C GLU A 360 -4.204 3.028 -2.997 1.00 0.00 C ATOM 215 O GLU A 360 -3.270 2.458 -2.433 1.00 0.00 O ATOM 216 CB GLU A 360 -6.554 2.924 -2.168 1.00 0.00 C ATOM 217 CG GLU A 360 -7.325 3.210 -0.878 1.00 0.00 C ATOM 218 CD GLU A 360 -7.763 1.899 -0.231 1.00 0.00 C ATOM 219 OE1 GLU A 360 -8.947 1.756 0.029 1.00 0.00 O ATOM 220 OE2 GLU A 360 -6.909 1.059 -0.006 1.00 0.00 O ATOM 0 H GLU A 360 -6.497 5.189 -3.117 1.00 0.00 H new ATOM 0 HA GLU A 360 -4.912 3.895 -1.172 1.00 0.00 H new ATOM 0 HB2 GLU A 360 -7.171 3.163 -3.034 1.00 0.00 H new ATOM 0 HB3 GLU A 360 -6.311 1.863 -2.232 1.00 0.00 H new ATOM 0 HG2 GLU A 360 -6.698 3.774 -0.187 1.00 0.00 H new ATOM 0 HG3 GLU A 360 -8.197 3.827 -1.095 1.00 0.00 H new ATOM 227 N MET A 361 -4.347 3.054 -4.318 1.00 0.00 N ATOM 228 CA MET A 361 -3.385 2.394 -5.192 1.00 0.00 C ATOM 229 C MET A 361 -1.998 3.004 -5.020 1.00 0.00 C ATOM 230 O MET A 361 -1.013 2.290 -4.832 1.00 0.00 O ATOM 231 CB MET A 361 -3.825 2.529 -6.651 1.00 0.00 C ATOM 232 CG MET A 361 -4.978 1.562 -6.928 1.00 0.00 C ATOM 233 SD MET A 361 -4.310 -0.051 -7.409 1.00 0.00 S ATOM 234 CE MET A 361 -4.703 0.058 -9.172 1.00 0.00 C ATOM 0 H MET A 361 -5.113 3.521 -4.803 1.00 0.00 H new ATOM 0 HA MET A 361 -3.342 1.339 -4.921 1.00 0.00 H new ATOM 0 HB2 MET A 361 -4.138 3.553 -6.854 1.00 0.00 H new ATOM 0 HB3 MET A 361 -2.988 2.314 -7.316 1.00 0.00 H new ATOM 0 HG2 MET A 361 -5.602 1.459 -6.040 1.00 0.00 H new ATOM 0 HG3 MET A 361 -5.614 1.955 -7.721 1.00 0.00 H new ATOM 0 HE1 MET A 361 -4.372 -0.850 -9.675 1.00 0.00 H new ATOM 0 HE2 MET A 361 -5.780 0.171 -9.298 1.00 0.00 H new ATOM 0 HE3 MET A 361 -4.194 0.919 -9.606 1.00 0.00 H new ATOM 244 N GLU A 362 -1.929 4.330 -5.085 1.00 0.00 N ATOM 245 CA GLU A 362 -0.657 5.027 -4.934 1.00 0.00 C ATOM 246 C GLU A 362 -0.095 4.816 -3.530 1.00 0.00 C ATOM 247 O GLU A 362 1.119 4.810 -3.332 1.00 0.00 O ATOM 248 CB GLU A 362 -0.846 6.522 -5.190 1.00 0.00 C ATOM 249 CG GLU A 362 -1.199 6.748 -6.661 1.00 0.00 C ATOM 250 CD GLU A 362 -1.608 8.200 -6.883 1.00 0.00 C ATOM 251 OE1 GLU A 362 -1.874 8.552 -8.020 1.00 0.00 O ATOM 252 OE2 GLU A 362 -1.649 8.938 -5.913 1.00 0.00 O ATOM 0 H GLU A 362 -2.732 4.939 -5.240 1.00 0.00 H new ATOM 0 HA GLU A 362 0.047 4.621 -5.661 1.00 0.00 H new ATOM 0 HB2 GLU A 362 -1.637 6.914 -4.551 1.00 0.00 H new ATOM 0 HB3 GLU A 362 0.066 7.063 -4.937 1.00 0.00 H new ATOM 0 HG2 GLU A 362 -0.344 6.502 -7.290 1.00 0.00 H new ATOM 0 HG3 GLU A 362 -2.012 6.084 -6.954 1.00 0.00 H new ATOM 259 N LYS A 363 -0.988 4.642 -2.562 1.00 0.00 N ATOM 260 CA LYS A 363 -0.570 4.432 -1.181 1.00 0.00 C ATOM 261 C LYS A 363 0.141 3.090 -1.035 1.00 0.00 C ATOM 262 O LYS A 363 1.228 3.011 -0.465 1.00 0.00 O ATOM 263 CB LYS A 363 -1.788 4.470 -0.256 1.00 0.00 C ATOM 264 CG LYS A 363 -1.548 5.484 0.864 1.00 0.00 C ATOM 265 CD LYS A 363 -0.901 4.782 2.059 1.00 0.00 C ATOM 266 CE LYS A 363 -1.892 3.784 2.663 1.00 0.00 C ATOM 267 NZ LYS A 363 -1.470 2.397 2.324 1.00 0.00 N ATOM 0 H LYS A 363 -1.998 4.642 -2.706 1.00 0.00 H new ATOM 0 HA LYS A 363 0.121 5.228 -0.904 1.00 0.00 H new ATOM 0 HB2 LYS A 363 -2.679 4.742 -0.822 1.00 0.00 H new ATOM 0 HB3 LYS A 363 -1.968 3.481 0.167 1.00 0.00 H new ATOM 0 HG2 LYS A 363 -0.904 6.288 0.509 1.00 0.00 H new ATOM 0 HG3 LYS A 363 -2.491 5.940 1.164 1.00 0.00 H new ATOM 0 HD2 LYS A 363 0.005 4.265 1.744 1.00 0.00 H new ATOM 0 HD3 LYS A 363 -0.605 5.516 2.809 1.00 0.00 H new ATOM 0 HE2 LYS A 363 -1.935 3.908 3.745 1.00 0.00 H new ATOM 0 HE3 LYS A 363 -2.895 3.974 2.280 1.00 0.00 H new ATOM 0 HZ1 LYS A 363 -2.304 1.835 2.060 1.00 0.00 H new ATOM 0 HZ2 LYS A 363 -0.803 2.422 1.526 1.00 0.00 H new ATOM 0 HZ3 LYS A 363 -1.007 1.964 3.148 1.00 0.00 H new ATOM 281 N LYS A 364 -0.482 2.037 -1.555 1.00 0.00 N ATOM 282 CA LYS A 364 0.100 0.702 -1.477 1.00 0.00 C ATOM 283 C LYS A 364 1.290 0.582 -2.424 1.00 0.00 C ATOM 284 O LYS A 364 2.342 0.063 -2.052 1.00 0.00 O ATOM 285 CB LYS A 364 -0.952 -0.349 -1.838 1.00 0.00 C ATOM 286 CG LYS A 364 -0.543 -1.055 -3.132 1.00 0.00 C ATOM 287 CD LYS A 364 -1.505 -2.212 -3.410 1.00 0.00 C ATOM 288 CE LYS A 364 -1.024 -3.465 -2.675 1.00 0.00 C ATOM 289 NZ LYS A 364 0.344 -3.821 -3.146 1.00 0.00 N ATOM 0 H LYS A 364 -1.383 2.081 -2.031 1.00 0.00 H new ATOM 0 HA LYS A 364 0.444 0.534 -0.456 1.00 0.00 H new ATOM 0 HB2 LYS A 364 -1.049 -1.074 -1.030 1.00 0.00 H new ATOM 0 HB3 LYS A 364 -1.927 0.123 -1.961 1.00 0.00 H new ATOM 0 HG2 LYS A 364 -0.556 -0.350 -3.963 1.00 0.00 H new ATOM 0 HG3 LYS A 364 0.477 -1.429 -3.048 1.00 0.00 H new ATOM 0 HD2 LYS A 364 -2.511 -1.949 -3.082 1.00 0.00 H new ATOM 0 HD3 LYS A 364 -1.559 -2.404 -4.482 1.00 0.00 H new ATOM 0 HE2 LYS A 364 -1.016 -3.288 -1.599 1.00 0.00 H new ATOM 0 HE3 LYS A 364 -1.710 -4.292 -2.857 1.00 0.00 H new ATOM 0 HZ1 LYS A 364 0.459 -4.854 -3.129 1.00 0.00 H new ATOM 0 HZ2 LYS A 364 0.478 -3.474 -4.117 1.00 0.00 H new ATOM 0 HZ3 LYS A 364 1.051 -3.383 -2.521 1.00 0.00 H new ATOM 303 N ILE A 365 1.114 1.065 -3.649 1.00 0.00 N ATOM 304 CA ILE A 365 2.182 1.007 -4.641 1.00 0.00 C ATOM 305 C ILE A 365 3.405 1.777 -4.160 1.00 0.00 C ATOM 306 O ILE A 365 4.529 1.278 -4.219 1.00 0.00 O ATOM 307 CB ILE A 365 1.695 1.595 -5.964 1.00 0.00 C ATOM 308 CG1 ILE A 365 0.782 0.586 -6.666 1.00 0.00 C ATOM 309 CG2 ILE A 365 2.896 1.902 -6.861 1.00 0.00 C ATOM 310 CD1 ILE A 365 0.846 0.803 -8.178 1.00 0.00 C ATOM 0 H ILE A 365 0.250 1.497 -3.977 1.00 0.00 H new ATOM 0 HA ILE A 365 2.460 -0.037 -4.787 1.00 0.00 H new ATOM 0 HB ILE A 365 1.142 2.514 -5.769 1.00 0.00 H new ATOM 0 HG12 ILE A 365 1.090 -0.430 -6.421 1.00 0.00 H new ATOM 0 HG13 ILE A 365 -0.243 0.702 -6.315 1.00 0.00 H new ATOM 0 HG21 ILE A 365 2.547 2.321 -7.805 1.00 0.00 H new ATOM 0 HG22 ILE A 365 3.548 2.620 -6.363 1.00 0.00 H new ATOM 0 HG23 ILE A 365 3.450 0.983 -7.055 1.00 0.00 H new ATOM 0 HD11 ILE A 365 0.196 0.084 -8.677 1.00 0.00 H new ATOM 0 HD12 ILE A 365 0.517 1.815 -8.415 1.00 0.00 H new ATOM 0 HD13 ILE A 365 1.871 0.665 -8.522 1.00 0.00 H new ATOM 322 N ARG A 366 3.178 2.995 -3.681 1.00 0.00 N ATOM 323 CA ARG A 366 4.269 3.828 -3.188 1.00 0.00 C ATOM 324 C ARG A 366 4.893 3.212 -1.942 1.00 0.00 C ATOM 325 O ARG A 366 6.115 3.170 -1.801 1.00 0.00 O ATOM 326 CB ARG A 366 3.749 5.229 -2.862 1.00 0.00 C ATOM 327 CG ARG A 366 3.065 5.215 -1.494 1.00 0.00 C ATOM 328 CD ARG A 366 2.584 6.626 -1.150 1.00 0.00 C ATOM 329 NE ARG A 366 1.531 7.039 -2.070 1.00 0.00 N ATOM 330 CZ ARG A 366 0.841 8.158 -1.869 1.00 0.00 C ATOM 331 NH1 ARG A 366 1.102 8.906 -0.833 1.00 0.00 N ATOM 332 NH2 ARG A 366 -0.096 8.506 -2.708 1.00 0.00 N ATOM 0 H ARG A 366 2.255 3.425 -3.624 1.00 0.00 H new ATOM 0 HA ARG A 366 5.030 3.895 -3.965 1.00 0.00 H new ATOM 0 HB2 ARG A 366 4.573 5.943 -2.861 1.00 0.00 H new ATOM 0 HB3 ARG A 366 3.046 5.555 -3.628 1.00 0.00 H new ATOM 0 HG2 ARG A 366 2.222 4.524 -1.504 1.00 0.00 H new ATOM 0 HG3 ARG A 366 3.759 4.860 -0.732 1.00 0.00 H new ATOM 0 HD2 ARG A 366 2.212 6.651 -0.126 1.00 0.00 H new ATOM 0 HD3 ARG A 366 3.418 7.325 -1.204 1.00 0.00 H new ATOM 0 HE ARG A 366 1.320 6.459 -2.882 1.00 0.00 H new ATOM 0 HH11 ARG A 366 1.835 8.633 -0.178 1.00 0.00 H new ATOM 0 HH12 ARG A 366 0.574 9.764 -0.678 1.00 0.00 H new ATOM 0 HH21 ARG A 366 -0.299 7.920 -3.518 1.00 0.00 H new ATOM 0 HH22 ARG A 366 -0.625 9.364 -2.554 1.00 0.00 H new ATOM 346 N ASP A 367 4.045 2.732 -1.038 1.00 0.00 N ATOM 347 CA ASP A 367 4.523 2.119 0.194 1.00 0.00 C ATOM 348 C ASP A 367 5.301 0.843 -0.111 1.00 0.00 C ATOM 349 O ASP A 367 6.384 0.619 0.434 1.00 0.00 O ATOM 350 CB ASP A 367 3.342 1.792 1.110 1.00 0.00 C ATOM 351 CG ASP A 367 3.840 1.514 2.524 1.00 0.00 C ATOM 352 OD1 ASP A 367 4.982 1.112 2.660 1.00 0.00 O ATOM 353 OD2 ASP A 367 3.070 1.710 3.450 1.00 0.00 O ATOM 0 H ASP A 367 3.030 2.756 -1.135 1.00 0.00 H new ATOM 0 HA ASP A 367 5.185 2.825 0.695 1.00 0.00 H new ATOM 0 HB2 ASP A 367 2.638 2.624 1.121 1.00 0.00 H new ATOM 0 HB3 ASP A 367 2.804 0.924 0.728 1.00 0.00 H new ATOM 358 N GLN A 368 4.743 0.010 -0.983 1.00 0.00 N ATOM 359 CA GLN A 368 5.396 -1.240 -1.352 1.00 0.00 C ATOM 360 C GLN A 368 6.649 -0.966 -2.173 1.00 0.00 C ATOM 361 O GLN A 368 7.591 -1.759 -2.175 1.00 0.00 O ATOM 362 CB GLN A 368 4.433 -2.114 -2.160 1.00 0.00 C ATOM 363 CG GLN A 368 3.749 -3.117 -1.228 1.00 0.00 C ATOM 364 CD GLN A 368 3.868 -4.525 -1.800 1.00 0.00 C ATOM 365 OE1 GLN A 368 4.310 -4.700 -2.936 1.00 0.00 O ATOM 366 NE2 GLN A 368 3.500 -5.546 -1.075 1.00 0.00 N ATOM 0 H GLN A 368 3.848 0.176 -1.444 1.00 0.00 H new ATOM 0 HA GLN A 368 5.681 -1.763 -0.439 1.00 0.00 H new ATOM 0 HB2 GLN A 368 3.686 -1.491 -2.652 1.00 0.00 H new ATOM 0 HB3 GLN A 368 4.975 -2.642 -2.944 1.00 0.00 H new ATOM 0 HG2 GLN A 368 4.206 -3.077 -0.239 1.00 0.00 H new ATOM 0 HG3 GLN A 368 2.699 -2.853 -1.104 1.00 0.00 H new ATOM 0 HE21 GLN A 368 3.134 -5.398 -0.134 1.00 0.00 H new ATOM 0 HE22 GLN A 368 3.578 -6.492 -1.449 1.00 0.00 H new ATOM 375 N ASP A 369 6.652 0.164 -2.868 1.00 0.00 N ATOM 376 CA ASP A 369 7.795 0.540 -3.690 1.00 0.00 C ATOM 377 C ASP A 369 8.951 1.007 -2.815 1.00 0.00 C ATOM 378 O ASP A 369 10.113 0.709 -3.090 1.00 0.00 O ATOM 379 CB ASP A 369 7.399 1.660 -4.656 1.00 0.00 C ATOM 380 CG ASP A 369 8.425 1.767 -5.778 1.00 0.00 C ATOM 381 OD1 ASP A 369 9.567 1.402 -5.548 1.00 0.00 O ATOM 382 OD2 ASP A 369 8.055 2.213 -6.853 1.00 0.00 O ATOM 0 H ASP A 369 5.881 0.832 -2.880 1.00 0.00 H new ATOM 0 HA ASP A 369 8.113 -0.334 -4.259 1.00 0.00 H new ATOM 0 HB2 ASP A 369 6.412 1.460 -5.073 1.00 0.00 H new ATOM 0 HB3 ASP A 369 7.333 2.607 -4.121 1.00 0.00 H new ATOM 387 N ARG A 370 8.621 1.736 -1.756 1.00 0.00 N ATOM 388 CA ARG A 370 9.636 2.239 -0.839 1.00 0.00 C ATOM 389 C ARG A 370 10.167 1.110 0.038 1.00 0.00 C ATOM 390 O ARG A 370 11.357 1.062 0.353 1.00 0.00 O ATOM 391 CB ARG A 370 9.044 3.338 0.046 1.00 0.00 C ATOM 392 CG ARG A 370 9.274 4.700 -0.611 1.00 0.00 C ATOM 393 CD ARG A 370 10.066 5.599 0.341 1.00 0.00 C ATOM 394 NE ARG A 370 9.566 5.456 1.703 1.00 0.00 N ATOM 395 CZ ARG A 370 10.214 5.990 2.733 1.00 0.00 C ATOM 396 NH1 ARG A 370 11.319 6.655 2.534 1.00 0.00 N ATOM 397 NH2 ARG A 370 9.745 5.850 3.943 1.00 0.00 N ATOM 0 H ARG A 370 7.664 1.991 -1.512 1.00 0.00 H new ATOM 0 HA ARG A 370 10.458 2.650 -1.425 1.00 0.00 H new ATOM 0 HB2 ARG A 370 7.977 3.168 0.191 1.00 0.00 H new ATOM 0 HB3 ARG A 370 9.508 3.315 1.032 1.00 0.00 H new ATOM 0 HG2 ARG A 370 9.817 4.577 -1.548 1.00 0.00 H new ATOM 0 HG3 ARG A 370 8.318 5.164 -0.855 1.00 0.00 H new ATOM 0 HD2 ARG A 370 11.123 5.337 0.305 1.00 0.00 H new ATOM 0 HD3 ARG A 370 9.984 6.638 0.023 1.00 0.00 H new ATOM 0 HE ARG A 370 8.704 4.937 1.868 1.00 0.00 H new ATOM 0 HH11 ARG A 370 11.685 6.765 1.588 1.00 0.00 H new ATOM 0 HH12 ARG A 370 11.817 7.065 3.324 1.00 0.00 H new ATOM 0 HH21 ARG A 370 8.881 5.331 4.098 1.00 0.00 H new ATOM 0 HH22 ARG A 370 10.243 6.260 4.733 1.00 0.00 H new ATOM 411 N ASN A 371 9.278 0.202 0.428 1.00 0.00 N ATOM 412 CA ASN A 371 9.669 -0.924 1.267 1.00 0.00 C ATOM 413 C ASN A 371 10.537 -1.902 0.482 1.00 0.00 C ATOM 414 O ASN A 371 11.585 -2.339 0.960 1.00 0.00 O ATOM 415 CB ASN A 371 8.422 -1.648 1.783 1.00 0.00 C ATOM 416 CG ASN A 371 8.803 -3.016 2.335 1.00 0.00 C ATOM 417 OD1 ASN A 371 8.072 -3.987 2.146 1.00 0.00 O ATOM 418 ND2 ASN A 371 9.912 -3.151 3.011 1.00 0.00 N ATOM 0 H ASN A 371 8.289 0.223 0.179 1.00 0.00 H new ATOM 0 HA ASN A 371 10.244 -0.542 2.111 1.00 0.00 H new ATOM 0 HB2 ASN A 371 7.943 -1.054 2.561 1.00 0.00 H new ATOM 0 HB3 ASN A 371 7.698 -1.761 0.976 1.00 0.00 H new ATOM 0 HD21 ASN A 371 10.174 -4.063 3.384 1.00 0.00 H new ATOM 0 HD22 ASN A 371 10.516 -2.344 3.166 1.00 0.00 H new ATOM 425 N THR A 372 10.096 -2.242 -0.724 1.00 0.00 N ATOM 426 CA THR A 372 10.843 -3.170 -1.567 1.00 0.00 C ATOM 427 C THR A 372 12.158 -2.543 -2.018 1.00 0.00 C ATOM 428 O THR A 372 13.207 -3.185 -1.979 1.00 0.00 O ATOM 429 CB THR A 372 10.011 -3.550 -2.793 1.00 0.00 C ATOM 430 OG1 THR A 372 9.564 -4.893 -2.663 1.00 0.00 O ATOM 431 CG2 THR A 372 10.863 -3.412 -4.054 1.00 0.00 C ATOM 0 H THR A 372 9.232 -1.892 -1.138 1.00 0.00 H new ATOM 0 HA THR A 372 11.060 -4.065 -0.984 1.00 0.00 H new ATOM 0 HB THR A 372 9.149 -2.886 -2.867 1.00 0.00 H new ATOM 0 HG1 THR A 372 9.029 -5.137 -3.447 1.00 0.00 H new ATOM 0 HG21 THR A 372 10.268 -3.683 -4.926 1.00 0.00 H new ATOM 0 HG22 THR A 372 11.203 -2.381 -4.153 1.00 0.00 H new ATOM 0 HG23 THR A 372 11.727 -4.073 -3.984 1.00 0.00 H new ATOM 439 N ARG A 373 12.094 -1.286 -2.444 1.00 0.00 N ATOM 440 CA ARG A 373 13.287 -0.583 -2.900 1.00 0.00 C ATOM 441 C ARG A 373 14.314 -0.485 -1.776 1.00 0.00 C ATOM 442 O ARG A 373 15.497 -0.762 -1.978 1.00 0.00 O ATOM 443 CB ARG A 373 12.915 0.824 -3.375 1.00 0.00 C ATOM 444 CG ARG A 373 12.446 0.764 -4.830 1.00 0.00 C ATOM 445 CD ARG A 373 13.547 1.304 -5.744 1.00 0.00 C ATOM 446 NE ARG A 373 14.558 0.279 -5.978 1.00 0.00 N ATOM 447 CZ ARG A 373 15.330 0.311 -7.059 1.00 0.00 C ATOM 448 NH1 ARG A 373 15.192 1.271 -7.931 1.00 0.00 N ATOM 449 NH2 ARG A 373 16.228 -0.619 -7.246 1.00 0.00 N ATOM 0 H ARG A 373 11.235 -0.737 -2.483 1.00 0.00 H new ATOM 0 HA ARG A 373 13.722 -1.144 -3.727 1.00 0.00 H new ATOM 0 HB2 ARG A 373 12.127 1.236 -2.744 1.00 0.00 H new ATOM 0 HB3 ARG A 373 13.774 1.489 -3.286 1.00 0.00 H new ATOM 0 HG2 ARG A 373 12.203 -0.263 -5.103 1.00 0.00 H new ATOM 0 HG3 ARG A 373 11.536 1.350 -4.954 1.00 0.00 H new ATOM 0 HD2 ARG A 373 13.117 1.624 -6.693 1.00 0.00 H new ATOM 0 HD3 ARG A 373 14.007 2.182 -5.291 1.00 0.00 H new ATOM 0 HE ARG A 373 14.674 -0.475 -5.301 1.00 0.00 H new ATOM 0 HH11 ARG A 373 14.491 1.997 -7.783 1.00 0.00 H new ATOM 0 HH12 ARG A 373 15.785 1.295 -8.761 1.00 0.00 H new ATOM 0 HH21 ARG A 373 16.336 -1.369 -6.563 1.00 0.00 H new ATOM 0 HH22 ARG A 373 16.821 -0.596 -8.075 1.00 0.00 H new ATOM 463 N ARG A 374 13.856 -0.092 -0.594 1.00 0.00 N ATOM 464 CA ARG A 374 14.745 0.037 0.556 1.00 0.00 C ATOM 465 C ARG A 374 15.347 -1.316 0.920 1.00 0.00 C ATOM 466 O ARG A 374 16.546 -1.421 1.180 1.00 0.00 O ATOM 467 CB ARG A 374 13.972 0.593 1.754 1.00 0.00 C ATOM 468 CG ARG A 374 14.323 2.071 1.946 1.00 0.00 C ATOM 469 CD ARG A 374 13.852 2.531 3.326 1.00 0.00 C ATOM 470 NE ARG A 374 14.812 3.467 3.901 1.00 0.00 N ATOM 471 CZ ARG A 374 15.085 4.623 3.306 1.00 0.00 C ATOM 472 NH1 ARG A 374 14.492 4.936 2.186 1.00 0.00 N ATOM 473 NH2 ARG A 374 15.948 5.444 3.839 1.00 0.00 N ATOM 0 H ARG A 374 12.881 0.142 -0.406 1.00 0.00 H new ATOM 0 HA ARG A 374 15.551 0.723 0.295 1.00 0.00 H new ATOM 0 HB2 ARG A 374 12.900 0.481 1.593 1.00 0.00 H new ATOM 0 HB3 ARG A 374 14.220 0.029 2.654 1.00 0.00 H new ATOM 0 HG2 ARG A 374 15.399 2.216 1.850 1.00 0.00 H new ATOM 0 HG3 ARG A 374 13.850 2.672 1.169 1.00 0.00 H new ATOM 0 HD2 ARG A 374 12.874 3.006 3.245 1.00 0.00 H new ATOM 0 HD3 ARG A 374 13.734 1.670 3.984 1.00 0.00 H new ATOM 0 HE ARG A 374 15.282 3.230 4.775 1.00 0.00 H new ATOM 0 HH11 ARG A 374 13.819 4.293 1.768 1.00 0.00 H new ATOM 0 HH12 ARG A 374 14.701 5.823 1.729 1.00 0.00 H new ATOM 0 HH21 ARG A 374 16.413 5.198 4.713 1.00 0.00 H new ATOM 0 HH22 ARG A 374 16.157 6.331 3.382 1.00 0.00 H new ATOM 487 N MET A 375 14.509 -2.346 0.938 1.00 0.00 N ATOM 488 CA MET A 375 14.972 -3.688 1.273 1.00 0.00 C ATOM 489 C MET A 375 15.715 -4.307 0.095 1.00 0.00 C ATOM 490 O MET A 375 16.499 -5.241 0.264 1.00 0.00 O ATOM 491 CB MET A 375 13.782 -4.573 1.652 1.00 0.00 C ATOM 492 CG MET A 375 13.676 -5.736 0.663 1.00 0.00 C ATOM 493 SD MET A 375 12.436 -6.915 1.251 1.00 0.00 S ATOM 494 CE MET A 375 11.443 -6.974 -0.261 1.00 0.00 C ATOM 0 H MET A 375 13.513 -2.279 0.727 1.00 0.00 H new ATOM 0 HA MET A 375 15.654 -3.616 2.120 1.00 0.00 H new ATOM 0 HB2 MET A 375 13.907 -4.954 2.666 1.00 0.00 H new ATOM 0 HB3 MET A 375 12.862 -3.988 1.642 1.00 0.00 H new ATOM 0 HG2 MET A 375 13.401 -5.364 -0.324 1.00 0.00 H new ATOM 0 HG3 MET A 375 14.643 -6.229 0.560 1.00 0.00 H new ATOM 0 HE1 MET A 375 10.950 -7.943 -0.335 1.00 0.00 H new ATOM 0 HE2 MET A 375 10.691 -6.185 -0.234 1.00 0.00 H new ATOM 0 HE3 MET A 375 12.089 -6.829 -1.127 1.00 0.00 H new