USER MOD reduce.3.24.130724 H: found=0, std=0, add=152, rem=0, adj=2 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+ 180:sc= 0 (180deg=0) USER MOD Single : A 364 LYS NZ :NH3+ -129:sc= 0 (180deg=-0.00254) USER MOD Single : A 368 GLN : amide:sc= -0.118 K(o=-0.12,f=-1.5!) USER MOD Single : A 371 ASN : amide:sc= -0.383 X(o=-0.38,f=-0.094) 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 -5.725 7.277 -4.772 1.00 0.00 N ATOM 203 CA ALA A 359 -4.970 7.549 -3.554 1.00 0.00 C ATOM 204 C ALA A 359 -4.584 6.247 -2.860 1.00 0.00 C ATOM 205 O ALA A 359 -3.428 6.052 -2.484 1.00 0.00 O ATOM 206 CB ALA A 359 -5.805 8.408 -2.603 1.00 0.00 C ATOM 0 HA ALA A 359 -4.061 8.086 -3.825 1.00 0.00 H new ATOM 0 HB1 ALA A 359 -5.234 8.607 -1.696 1.00 0.00 H new ATOM 0 HB2 ALA A 359 -6.054 9.351 -3.089 1.00 0.00 H new ATOM 0 HB3 ALA A 359 -6.723 7.879 -2.346 1.00 0.00 H new ATOM 212 N GLU A 360 -5.559 5.359 -2.694 1.00 0.00 N ATOM 213 CA GLU A 360 -5.310 4.078 -2.045 1.00 0.00 C ATOM 214 C GLU A 360 -4.340 3.238 -2.869 1.00 0.00 C ATOM 215 O GLU A 360 -3.396 2.657 -2.333 1.00 0.00 O ATOM 216 CB GLU A 360 -6.625 3.322 -1.870 1.00 0.00 C ATOM 217 CG GLU A 360 -7.287 3.749 -0.560 1.00 0.00 C ATOM 218 CD GLU A 360 -7.751 2.519 0.215 1.00 0.00 C ATOM 219 OE1 GLU A 360 -6.911 1.873 0.819 1.00 0.00 O ATOM 220 OE2 GLU A 360 -8.938 2.245 0.195 1.00 0.00 O ATOM 0 H GLU A 360 -6.522 5.502 -2.998 1.00 0.00 H new ATOM 0 HA GLU A 360 -4.866 4.265 -1.068 1.00 0.00 H new ATOM 0 HB2 GLU A 360 -7.289 3.527 -2.709 1.00 0.00 H new ATOM 0 HB3 GLU A 360 -6.441 2.248 -1.864 1.00 0.00 H new ATOM 0 HG2 GLU A 360 -6.584 4.324 0.042 1.00 0.00 H new ATOM 0 HG3 GLU A 360 -8.136 4.400 -0.767 1.00 0.00 H new ATOM 227 N MET A 361 -4.580 3.176 -4.174 1.00 0.00 N ATOM 228 CA MET A 361 -3.721 2.404 -5.064 1.00 0.00 C ATOM 229 C MET A 361 -2.291 2.934 -5.021 1.00 0.00 C ATOM 230 O MET A 361 -1.341 2.170 -4.852 1.00 0.00 O ATOM 231 CB MET A 361 -4.252 2.477 -6.497 1.00 0.00 C ATOM 232 CG MET A 361 -5.458 1.548 -6.643 1.00 0.00 C ATOM 233 SD MET A 361 -5.321 0.619 -8.191 1.00 0.00 S ATOM 234 CE MET A 361 -4.157 -0.634 -7.603 1.00 0.00 C ATOM 0 H MET A 361 -5.357 3.648 -4.637 1.00 0.00 H new ATOM 0 HA MET A 361 -3.722 1.367 -4.730 1.00 0.00 H new ATOM 0 HB2 MET A 361 -4.537 3.501 -6.739 1.00 0.00 H new ATOM 0 HB3 MET A 361 -3.471 2.189 -7.201 1.00 0.00 H new ATOM 0 HG2 MET A 361 -5.506 0.862 -5.798 1.00 0.00 H new ATOM 0 HG3 MET A 361 -6.381 2.128 -6.635 1.00 0.00 H new ATOM 0 HE1 MET A 361 -3.929 -1.327 -8.413 1.00 0.00 H new ATOM 0 HE2 MET A 361 -3.239 -0.150 -7.270 1.00 0.00 H new ATOM 0 HE3 MET A 361 -4.601 -1.181 -6.771 1.00 0.00 H new ATOM 244 N GLU A 362 -2.147 4.247 -5.173 1.00 0.00 N ATOM 245 CA GLU A 362 -0.829 4.868 -5.150 1.00 0.00 C ATOM 246 C GLU A 362 -0.196 4.726 -3.769 1.00 0.00 C ATOM 247 O GLU A 362 1.027 4.657 -3.639 1.00 0.00 O ATOM 248 CB GLU A 362 -0.943 6.350 -5.511 1.00 0.00 C ATOM 249 CG GLU A 362 -0.892 7.193 -4.236 1.00 0.00 C ATOM 250 CD GLU A 362 -1.014 8.673 -4.582 1.00 0.00 C ATOM 251 OE1 GLU A 362 -0.075 9.207 -5.148 1.00 0.00 O ATOM 252 OE2 GLU A 362 -2.046 9.250 -4.279 1.00 0.00 O ATOM 0 H GLU A 362 -2.921 4.897 -5.312 1.00 0.00 H new ATOM 0 HA GLU A 362 -0.197 4.364 -5.882 1.00 0.00 H new ATOM 0 HB2 GLU A 362 -0.132 6.635 -6.181 1.00 0.00 H new ATOM 0 HB3 GLU A 362 -1.876 6.534 -6.044 1.00 0.00 H new ATOM 0 HG2 GLU A 362 -1.699 6.901 -3.565 1.00 0.00 H new ATOM 0 HG3 GLU A 362 0.044 7.011 -3.707 1.00 0.00 H new ATOM 259 N LYS A 363 -1.036 4.685 -2.740 1.00 0.00 N ATOM 260 CA LYS A 363 -0.548 4.551 -1.372 1.00 0.00 C ATOM 261 C LYS A 363 0.112 3.191 -1.170 1.00 0.00 C ATOM 262 O LYS A 363 1.224 3.102 -0.650 1.00 0.00 O ATOM 263 CB LYS A 363 -1.707 4.709 -0.386 1.00 0.00 C ATOM 264 CG LYS A 363 -1.356 5.778 0.649 1.00 0.00 C ATOM 265 CD LYS A 363 -1.041 5.109 1.988 1.00 0.00 C ATOM 266 CE LYS A 363 -0.209 6.060 2.852 1.00 0.00 C ATOM 267 NZ LYS A 363 -1.120 6.961 3.615 1.00 0.00 N ATOM 0 H LYS A 363 -2.051 4.742 -2.826 1.00 0.00 H new ATOM 0 HA LYS A 363 0.191 5.332 -1.192 1.00 0.00 H new ATOM 0 HB2 LYS A 363 -2.616 4.989 -0.919 1.00 0.00 H new ATOM 0 HB3 LYS A 363 -1.908 3.760 0.110 1.00 0.00 H new ATOM 0 HG2 LYS A 363 -0.498 6.359 0.310 1.00 0.00 H new ATOM 0 HG3 LYS A 363 -2.187 6.474 0.765 1.00 0.00 H new ATOM 0 HD2 LYS A 363 -1.966 4.848 2.503 1.00 0.00 H new ATOM 0 HD3 LYS A 363 -0.496 4.180 1.823 1.00 0.00 H new ATOM 0 HE2 LYS A 363 0.417 5.491 3.539 1.00 0.00 H new ATOM 0 HE3 LYS A 363 0.460 6.648 2.224 1.00 0.00 H new ATOM 0 HZ1 LYS A 363 -0.556 7.608 4.203 1.00 0.00 H new ATOM 0 HZ2 LYS A 363 -1.699 7.513 2.950 1.00 0.00 H new ATOM 0 HZ3 LYS A 363 -1.741 6.391 4.225 1.00 0.00 H new ATOM 281 N LYS A 364 -0.581 2.135 -1.584 1.00 0.00 N ATOM 282 CA LYS A 364 -0.050 0.784 -1.442 1.00 0.00 C ATOM 283 C LYS A 364 1.145 0.577 -2.369 1.00 0.00 C ATOM 284 O LYS A 364 2.141 -0.035 -1.983 1.00 0.00 O ATOM 285 CB LYS A 364 -1.138 -0.240 -1.774 1.00 0.00 C ATOM 286 CG LYS A 364 -0.677 -1.116 -2.940 1.00 0.00 C ATOM 287 CD LYS A 364 -1.779 -2.118 -3.293 1.00 0.00 C ATOM 288 CE LYS A 364 -1.924 -2.202 -4.814 1.00 0.00 C ATOM 289 NZ LYS A 364 -0.751 -2.920 -5.388 1.00 0.00 N ATOM 0 H LYS A 364 -1.503 2.187 -2.017 1.00 0.00 H new ATOM 0 HA LYS A 364 0.277 0.648 -0.411 1.00 0.00 H new ATOM 0 HB2 LYS A 364 -1.348 -0.859 -0.902 1.00 0.00 H new ATOM 0 HB3 LYS A 364 -2.065 0.270 -2.034 1.00 0.00 H new ATOM 0 HG2 LYS A 364 -0.444 -0.495 -3.805 1.00 0.00 H new ATOM 0 HG3 LYS A 364 0.238 -1.645 -2.672 1.00 0.00 H new ATOM 0 HD2 LYS A 364 -1.537 -3.100 -2.885 1.00 0.00 H new ATOM 0 HD3 LYS A 364 -2.723 -1.810 -2.843 1.00 0.00 H new ATOM 0 HE2 LYS A 364 -2.845 -2.724 -5.074 1.00 0.00 H new ATOM 0 HE3 LYS A 364 -1.994 -1.201 -5.239 1.00 0.00 H new ATOM 0 HZ1 LYS A 364 -0.342 -2.356 -6.160 1.00 0.00 H new ATOM 0 HZ2 LYS A 364 -0.035 -3.063 -4.647 1.00 0.00 H new ATOM 0 HZ3 LYS A 364 -1.056 -3.843 -5.758 1.00 0.00 H new ATOM 303 N ILE A 365 1.037 1.090 -3.590 1.00 0.00 N ATOM 304 CA ILE A 365 2.116 0.955 -4.561 1.00 0.00 C ATOM 305 C ILE A 365 3.359 1.702 -4.092 1.00 0.00 C ATOM 306 O ILE A 365 4.468 1.169 -4.133 1.00 0.00 O ATOM 307 CB ILE A 365 1.669 1.505 -5.915 1.00 0.00 C ATOM 308 CG1 ILE A 365 0.605 0.582 -6.513 1.00 0.00 C ATOM 309 CG2 ILE A 365 2.870 1.577 -6.859 1.00 0.00 C ATOM 310 CD1 ILE A 365 0.503 0.827 -8.019 1.00 0.00 C ATOM 0 H ILE A 365 0.220 1.599 -3.929 1.00 0.00 H new ATOM 0 HA ILE A 365 2.360 -0.103 -4.660 1.00 0.00 H new ATOM 0 HB ILE A 365 1.252 2.503 -5.782 1.00 0.00 H new ATOM 0 HG12 ILE A 365 0.862 -0.459 -6.320 1.00 0.00 H new ATOM 0 HG13 ILE A 365 -0.359 0.765 -6.038 1.00 0.00 H new ATOM 0 HG21 ILE A 365 2.551 1.969 -7.825 1.00 0.00 H new ATOM 0 HG22 ILE A 365 3.629 2.234 -6.433 1.00 0.00 H new ATOM 0 HG23 ILE A 365 3.288 0.579 -6.993 1.00 0.00 H new ATOM 0 HD11 ILE A 365 -0.255 0.169 -8.444 1.00 0.00 H new ATOM 0 HD12 ILE A 365 0.226 1.865 -8.201 1.00 0.00 H new ATOM 0 HD13 ILE A 365 1.466 0.621 -8.487 1.00 0.00 H new ATOM 322 N ARG A 366 3.166 2.937 -3.644 1.00 0.00 N ATOM 323 CA ARG A 366 4.280 3.750 -3.169 1.00 0.00 C ATOM 324 C ARG A 366 4.911 3.120 -1.932 1.00 0.00 C ATOM 325 O ARG A 366 6.135 3.075 -1.803 1.00 0.00 O ATOM 326 CB ARG A 366 3.792 5.160 -2.832 1.00 0.00 C ATOM 327 CG ARG A 366 3.400 5.228 -1.356 1.00 0.00 C ATOM 328 CD ARG A 366 3.020 6.664 -0.992 1.00 0.00 C ATOM 329 NE ARG A 366 2.238 7.267 -2.066 1.00 0.00 N ATOM 330 CZ ARG A 366 2.826 7.940 -3.049 1.00 0.00 C ATOM 331 NH1 ARG A 366 4.124 8.072 -3.065 1.00 0.00 N ATOM 332 NH2 ARG A 366 2.104 8.472 -3.998 1.00 0.00 N ATOM 0 H ARG A 366 2.256 3.395 -3.600 1.00 0.00 H new ATOM 0 HA ARG A 366 5.029 3.805 -3.959 1.00 0.00 H new ATOM 0 HB2 ARG A 366 4.576 5.887 -3.044 1.00 0.00 H new ATOM 0 HB3 ARG A 366 2.938 5.419 -3.458 1.00 0.00 H new ATOM 0 HG2 ARG A 366 2.562 4.559 -1.161 1.00 0.00 H new ATOM 0 HG3 ARG A 366 4.229 4.891 -0.733 1.00 0.00 H new ATOM 0 HD2 ARG A 366 2.446 6.672 -0.066 1.00 0.00 H new ATOM 0 HD3 ARG A 366 3.920 7.252 -0.814 1.00 0.00 H new ATOM 0 HE ARG A 366 1.223 7.170 -2.062 1.00 0.00 H new ATOM 0 HH11 ARG A 366 4.688 7.658 -2.322 1.00 0.00 H new ATOM 0 HH12 ARG A 366 4.575 8.589 -3.820 1.00 0.00 H new ATOM 0 HH21 ARG A 366 1.089 8.371 -3.984 1.00 0.00 H new ATOM 0 HH22 ARG A 366 2.555 8.989 -4.753 1.00 0.00 H new ATOM 346 N ASP A 367 4.069 2.636 -1.026 1.00 0.00 N ATOM 347 CA ASP A 367 4.556 2.009 0.197 1.00 0.00 C ATOM 348 C ASP A 367 5.335 0.739 -0.126 1.00 0.00 C ATOM 349 O ASP A 367 6.421 0.511 0.409 1.00 0.00 O ATOM 350 CB ASP A 367 3.379 1.669 1.113 1.00 0.00 C ATOM 351 CG ASP A 367 3.862 1.536 2.554 1.00 0.00 C ATOM 352 OD1 ASP A 367 4.400 0.492 2.883 1.00 0.00 O ATOM 353 OD2 ASP A 367 3.685 2.480 3.308 1.00 0.00 O ATOM 0 H ASP A 367 3.053 2.665 -1.114 1.00 0.00 H new ATOM 0 HA ASP A 367 5.220 2.710 0.703 1.00 0.00 H new ATOM 0 HB2 ASP A 367 2.618 2.447 1.046 1.00 0.00 H new ATOM 0 HB3 ASP A 367 2.913 0.738 0.790 1.00 0.00 H new ATOM 358 N GLN A 368 4.774 -0.087 -1.003 1.00 0.00 N ATOM 359 CA GLN A 368 5.426 -1.331 -1.391 1.00 0.00 C ATOM 360 C GLN A 368 6.684 -1.045 -2.202 1.00 0.00 C ATOM 361 O GLN A 368 7.626 -1.838 -2.212 1.00 0.00 O ATOM 362 CB GLN A 368 4.468 -2.192 -2.214 1.00 0.00 C ATOM 363 CG GLN A 368 3.310 -2.659 -1.330 1.00 0.00 C ATOM 364 CD GLN A 368 3.714 -3.916 -0.564 1.00 0.00 C ATOM 365 OE1 GLN A 368 4.522 -3.847 0.362 1.00 0.00 O ATOM 366 NE2 GLN A 368 3.196 -5.066 -0.898 1.00 0.00 N ATOM 0 H GLN A 368 3.875 0.081 -1.455 1.00 0.00 H new ATOM 0 HA GLN A 368 5.706 -1.869 -0.485 1.00 0.00 H new ATOM 0 HB2 GLN A 368 4.086 -1.621 -3.060 1.00 0.00 H new ATOM 0 HB3 GLN A 368 4.997 -3.053 -2.623 1.00 0.00 H new ATOM 0 HG2 GLN A 368 3.034 -1.870 -0.631 1.00 0.00 H new ATOM 0 HG3 GLN A 368 2.432 -2.863 -1.943 1.00 0.00 H new ATOM 0 HE21 GLN A 368 2.527 -5.120 -1.666 1.00 0.00 H new ATOM 0 HE22 GLN A 368 3.460 -5.911 -0.391 1.00 0.00 H new ATOM 375 N ASP A 369 6.689 0.096 -2.880 1.00 0.00 N ATOM 376 CA ASP A 369 7.834 0.485 -3.693 1.00 0.00 C ATOM 377 C ASP A 369 8.985 0.946 -2.806 1.00 0.00 C ATOM 378 O ASP A 369 10.149 0.663 -3.083 1.00 0.00 O ATOM 379 CB ASP A 369 7.439 1.614 -4.647 1.00 0.00 C ATOM 380 CG ASP A 369 6.624 1.055 -5.807 1.00 0.00 C ATOM 381 OD1 ASP A 369 6.788 -0.114 -6.113 1.00 0.00 O ATOM 382 OD2 ASP A 369 5.846 1.805 -6.375 1.00 0.00 O ATOM 0 H ASP A 369 5.918 0.764 -2.883 1.00 0.00 H new ATOM 0 HA ASP A 369 8.157 -0.381 -4.271 1.00 0.00 H new ATOM 0 HB2 ASP A 369 6.858 2.366 -4.113 1.00 0.00 H new ATOM 0 HB3 ASP A 369 8.332 2.111 -5.025 1.00 0.00 H new ATOM 387 N ARG A 370 8.646 1.656 -1.736 1.00 0.00 N ATOM 388 CA ARG A 370 9.654 2.152 -0.809 1.00 0.00 C ATOM 389 C ARG A 370 10.200 1.012 0.045 1.00 0.00 C ATOM 390 O ARG A 370 11.391 0.970 0.354 1.00 0.00 O ATOM 391 CB ARG A 370 9.050 3.225 0.096 1.00 0.00 C ATOM 392 CG ARG A 370 9.298 4.607 -0.512 1.00 0.00 C ATOM 393 CD ARG A 370 9.994 5.501 0.517 1.00 0.00 C ATOM 394 NE ARG A 370 10.646 6.622 -0.146 1.00 0.00 N ATOM 395 CZ ARG A 370 11.896 6.527 -0.588 1.00 0.00 C ATOM 396 NH1 ARG A 370 12.561 5.416 -0.429 1.00 0.00 N ATOM 397 NH2 ARG A 370 12.459 7.545 -1.179 1.00 0.00 N ATOM 0 H ARG A 370 7.686 1.900 -1.491 1.00 0.00 H new ATOM 0 HA ARG A 370 10.471 2.584 -1.387 1.00 0.00 H new ATOM 0 HB2 ARG A 370 7.980 3.055 0.214 1.00 0.00 H new ATOM 0 HB3 ARG A 370 9.494 3.169 1.090 1.00 0.00 H new ATOM 0 HG2 ARG A 370 9.914 4.517 -1.407 1.00 0.00 H new ATOM 0 HG3 ARG A 370 8.353 5.056 -0.819 1.00 0.00 H new ATOM 0 HD2 ARG A 370 9.266 5.870 1.239 1.00 0.00 H new ATOM 0 HD3 ARG A 370 10.730 4.921 1.074 1.00 0.00 H new ATOM 0 HE ARG A 370 10.134 7.495 -0.273 1.00 0.00 H new ATOM 0 HH11 ARG A 370 12.122 4.621 0.034 1.00 0.00 H new ATOM 0 HH12 ARG A 370 13.520 5.343 -0.768 1.00 0.00 H new ATOM 0 HH21 ARG A 370 11.940 8.414 -1.302 1.00 0.00 H new ATOM 0 HH22 ARG A 370 13.418 7.471 -1.518 1.00 0.00 H new ATOM 411 N ASN A 371 9.321 0.088 0.421 1.00 0.00 N ATOM 412 CA ASN A 371 9.727 -1.050 1.237 1.00 0.00 C ATOM 413 C ASN A 371 10.590 -2.011 0.425 1.00 0.00 C ATOM 414 O ASN A 371 11.638 -2.462 0.889 1.00 0.00 O ATOM 415 CB ASN A 371 8.491 -1.785 1.760 1.00 0.00 C ATOM 416 CG ASN A 371 8.300 -1.491 3.243 1.00 0.00 C ATOM 417 OD1 ASN A 371 7.876 -2.366 4.001 1.00 0.00 O ATOM 418 ND2 ASN A 371 8.589 -0.308 3.707 1.00 0.00 N ATOM 0 H ASN A 371 8.331 0.104 0.176 1.00 0.00 H new ATOM 0 HA ASN A 371 10.312 -0.680 2.079 1.00 0.00 H new ATOM 0 HB2 ASN A 371 7.608 -1.472 1.202 1.00 0.00 H new ATOM 0 HB3 ASN A 371 8.603 -2.858 1.605 1.00 0.00 H new ATOM 0 HD21 ASN A 371 8.465 -0.105 4.699 1.00 0.00 H new ATOM 0 HD22 ASN A 371 8.940 0.415 3.078 1.00 0.00 H new ATOM 425 N THR A 372 10.144 -2.317 -0.789 1.00 0.00 N ATOM 426 CA THR A 372 10.887 -3.225 -1.655 1.00 0.00 C ATOM 427 C THR A 372 12.214 -2.599 -2.074 1.00 0.00 C ATOM 428 O THR A 372 13.257 -3.252 -2.041 1.00 0.00 O ATOM 429 CB THR A 372 10.061 -3.552 -2.901 1.00 0.00 C ATOM 430 OG1 THR A 372 9.580 -4.887 -2.810 1.00 0.00 O ATOM 431 CG2 THR A 372 10.933 -3.406 -4.149 1.00 0.00 C ATOM 0 H THR A 372 9.280 -1.954 -1.192 1.00 0.00 H new ATOM 0 HA THR A 372 11.088 -4.142 -1.101 1.00 0.00 H new ATOM 0 HB THR A 372 9.218 -2.864 -2.969 1.00 0.00 H new ATOM 0 HG1 THR A 372 9.049 -5.098 -3.606 1.00 0.00 H new ATOM 0 HG21 THR A 372 10.342 -3.639 -5.035 1.00 0.00 H new ATOM 0 HG22 THR A 372 11.301 -2.382 -4.218 1.00 0.00 H new ATOM 0 HG23 THR A 372 11.778 -4.092 -4.085 1.00 0.00 H new ATOM 439 N ARG A 373 12.167 -1.329 -2.467 1.00 0.00 N ATOM 440 CA ARG A 373 13.372 -0.626 -2.888 1.00 0.00 C ATOM 441 C ARG A 373 14.370 -0.534 -1.738 1.00 0.00 C ATOM 442 O ARG A 373 15.566 -0.752 -1.921 1.00 0.00 O ATOM 443 CB ARG A 373 13.013 0.782 -3.369 1.00 0.00 C ATOM 444 CG ARG A 373 12.646 0.736 -4.853 1.00 0.00 C ATOM 445 CD ARG A 373 13.892 1.018 -5.697 1.00 0.00 C ATOM 446 NE ARG A 373 13.842 0.258 -6.940 1.00 0.00 N ATOM 447 CZ ARG A 373 14.695 0.502 -7.930 1.00 0.00 C ATOM 448 NH1 ARG A 373 15.596 1.436 -7.798 1.00 0.00 N ATOM 449 NH2 ARG A 373 14.631 -0.191 -9.033 1.00 0.00 N ATOM 0 H ARG A 373 11.314 -0.771 -2.502 1.00 0.00 H new ATOM 0 HA ARG A 373 13.829 -1.184 -3.705 1.00 0.00 H new ATOM 0 HB2 ARG A 373 12.178 1.174 -2.789 1.00 0.00 H new ATOM 0 HB3 ARG A 373 13.854 1.457 -3.212 1.00 0.00 H new ATOM 0 HG2 ARG A 373 12.236 -0.241 -5.107 1.00 0.00 H new ATOM 0 HG3 ARG A 373 11.872 1.473 -5.070 1.00 0.00 H new ATOM 0 HD2 ARG A 373 13.958 2.084 -5.916 1.00 0.00 H new ATOM 0 HD3 ARG A 373 14.788 0.752 -5.136 1.00 0.00 H new ATOM 0 HE ARG A 373 13.140 -0.474 -7.052 1.00 0.00 H new ATOM 0 HH11 ARG A 373 15.646 1.978 -6.936 1.00 0.00 H new ATOM 0 HH12 ARG A 373 16.251 1.624 -8.557 1.00 0.00 H new ATOM 0 HH21 ARG A 373 13.926 -0.921 -9.137 1.00 0.00 H new ATOM 0 HH22 ARG A 373 15.286 -0.003 -9.792 1.00 0.00 H new ATOM 463 N ARG A 374 13.866 -0.210 -0.550 1.00 0.00 N ATOM 464 CA ARG A 374 14.723 -0.092 0.624 1.00 0.00 C ATOM 465 C ARG A 374 15.376 -1.433 0.947 1.00 0.00 C ATOM 466 O ARG A 374 16.577 -1.502 1.211 1.00 0.00 O ATOM 467 CB ARG A 374 13.900 0.379 1.825 1.00 0.00 C ATOM 468 CG ARG A 374 14.192 1.856 2.096 1.00 0.00 C ATOM 469 CD ARG A 374 15.643 2.014 2.553 1.00 0.00 C ATOM 470 NE ARG A 374 15.769 3.160 3.446 1.00 0.00 N ATOM 471 CZ ARG A 374 15.627 3.024 4.761 1.00 0.00 C ATOM 472 NH1 ARG A 374 15.369 1.852 5.273 1.00 0.00 N ATOM 473 NH2 ARG A 374 15.744 4.065 5.540 1.00 0.00 N ATOM 0 H ARG A 374 12.878 -0.026 -0.376 1.00 0.00 H new ATOM 0 HA ARG A 374 15.504 0.638 0.410 1.00 0.00 H new ATOM 0 HB2 ARG A 374 12.837 0.237 1.629 1.00 0.00 H new ATOM 0 HB3 ARG A 374 14.144 -0.218 2.704 1.00 0.00 H new ATOM 0 HG2 ARG A 374 14.018 2.443 1.195 1.00 0.00 H new ATOM 0 HG3 ARG A 374 13.515 2.237 2.861 1.00 0.00 H new ATOM 0 HD2 ARG A 374 15.972 1.109 3.063 1.00 0.00 H new ATOM 0 HD3 ARG A 374 16.292 2.145 1.687 1.00 0.00 H new ATOM 0 HE ARG A 374 15.969 4.081 3.056 1.00 0.00 H new ATOM 0 HH11 ARG A 374 15.276 1.039 4.664 1.00 0.00 H new ATOM 0 HH12 ARG A 374 15.260 1.749 6.282 1.00 0.00 H new ATOM 0 HH21 ARG A 374 15.944 4.982 5.140 1.00 0.00 H new ATOM 0 HH22 ARG A 374 15.635 3.962 6.549 1.00 0.00 H new ATOM 487 N MET A 375 14.578 -2.495 0.923 1.00 0.00 N ATOM 488 CA MET A 375 15.090 -3.829 1.215 1.00 0.00 C ATOM 489 C MET A 375 15.919 -4.352 0.049 1.00 0.00 C ATOM 490 O MET A 375 16.739 -5.255 0.210 1.00 0.00 O ATOM 491 CB MET A 375 13.929 -4.788 1.489 1.00 0.00 C ATOM 492 CG MET A 375 13.209 -4.364 2.772 1.00 0.00 C ATOM 493 SD MET A 375 14.271 -4.703 4.197 1.00 0.00 S ATOM 494 CE MET A 375 12.972 -5.287 5.314 1.00 0.00 C ATOM 0 H MET A 375 13.582 -2.459 0.706 1.00 0.00 H new ATOM 0 HA MET A 375 15.725 -3.767 2.099 1.00 0.00 H new ATOM 0 HB2 MET A 375 13.233 -4.783 0.650 1.00 0.00 H new ATOM 0 HB3 MET A 375 14.301 -5.808 1.588 1.00 0.00 H new ATOM 0 HG2 MET A 375 12.964 -3.303 2.731 1.00 0.00 H new ATOM 0 HG3 MET A 375 12.267 -4.905 2.869 1.00 0.00 H new ATOM 0 HE1 MET A 375 13.412 -5.557 6.274 1.00 0.00 H new ATOM 0 HE2 MET A 375 12.236 -4.496 5.461 1.00 0.00 H new ATOM 0 HE3 MET A 375 12.485 -6.160 4.880 1.00 0.00 H new