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+ 180:sc= 0 (180deg=0) USER MOD Single : A 368 GLN : amide:sc= -1.27! K(o=-1.3!,f=0) USER MOD Single : A 371 ASN : amide:sc= -0.632 K(o=-0.63,f=-2.8!) USER MOD Single : A 372 THR OG1 : rot 180:sc= 0 USER MOD Single : A 375 MET CE :methyl -170:sc=-0.00241 (180deg=-0.176) USER MOD ----------------------------------------------------------------- ATOM 202 N ALA A 359 -5.885 7.135 -4.939 1.00 0.00 N ATOM 203 CA ALA A 359 -5.114 7.449 -3.742 1.00 0.00 C ATOM 204 C ALA A 359 -4.655 6.172 -3.046 1.00 0.00 C ATOM 205 O ALA A 359 -3.484 6.031 -2.697 1.00 0.00 O ATOM 206 CB ALA A 359 -5.963 8.280 -2.777 1.00 0.00 C ATOM 0 HA ALA A 359 -4.236 8.021 -4.040 1.00 0.00 H new ATOM 0 HB1 ALA A 359 -5.380 8.510 -1.885 1.00 0.00 H new ATOM 0 HB2 ALA A 359 -6.264 9.208 -3.264 1.00 0.00 H new ATOM 0 HB3 ALA A 359 -6.851 7.714 -2.494 1.00 0.00 H new ATOM 212 N GLU A 360 -5.586 5.244 -2.851 1.00 0.00 N ATOM 213 CA GLU A 360 -5.266 3.982 -2.198 1.00 0.00 C ATOM 214 C GLU A 360 -4.201 3.223 -2.984 1.00 0.00 C ATOM 215 O GLU A 360 -3.247 2.700 -2.410 1.00 0.00 O ATOM 216 CB GLU A 360 -6.525 3.125 -2.080 1.00 0.00 C ATOM 217 CG GLU A 360 -7.246 3.455 -0.773 1.00 0.00 C ATOM 218 CD GLU A 360 -7.612 2.171 -0.038 1.00 0.00 C ATOM 219 OE1 GLU A 360 -7.006 1.152 -0.330 1.00 0.00 O ATOM 220 OE2 GLU A 360 -8.491 2.222 0.804 1.00 0.00 O ATOM 0 H GLU A 360 -6.561 5.342 -3.134 1.00 0.00 H new ATOM 0 HA GLU A 360 -4.878 4.198 -1.203 1.00 0.00 H new ATOM 0 HB2 GLU A 360 -7.184 3.310 -2.928 1.00 0.00 H new ATOM 0 HB3 GLU A 360 -6.262 2.068 -2.105 1.00 0.00 H new ATOM 0 HG2 GLU A 360 -6.608 4.075 -0.143 1.00 0.00 H new ATOM 0 HG3 GLU A 360 -8.146 4.033 -0.981 1.00 0.00 H new ATOM 227 N MET A 361 -4.373 3.167 -4.301 1.00 0.00 N ATOM 228 CA MET A 361 -3.420 2.470 -5.155 1.00 0.00 C ATOM 229 C MET A 361 -2.029 3.078 -5.012 1.00 0.00 C ATOM 230 O MET A 361 -1.047 2.366 -4.802 1.00 0.00 O ATOM 231 CB MET A 361 -3.866 2.557 -6.616 1.00 0.00 C ATOM 232 CG MET A 361 -4.987 1.545 -6.867 1.00 0.00 C ATOM 233 SD MET A 361 -4.810 0.848 -8.527 1.00 0.00 S ATOM 234 CE MET A 361 -4.494 -0.862 -8.023 1.00 0.00 C ATOM 0 H MET A 361 -5.157 3.592 -4.796 1.00 0.00 H new ATOM 0 HA MET A 361 -3.383 1.425 -4.847 1.00 0.00 H new ATOM 0 HB2 MET A 361 -4.214 3.565 -6.842 1.00 0.00 H new ATOM 0 HB3 MET A 361 -3.024 2.355 -7.277 1.00 0.00 H new ATOM 0 HG2 MET A 361 -4.948 0.751 -6.121 1.00 0.00 H new ATOM 0 HG3 MET A 361 -5.958 2.030 -6.766 1.00 0.00 H new ATOM 0 HE1 MET A 361 -4.352 -1.482 -8.908 1.00 0.00 H new ATOM 0 HE2 MET A 361 -3.596 -0.899 -7.406 1.00 0.00 H new ATOM 0 HE3 MET A 361 -5.343 -1.236 -7.451 1.00 0.00 H new ATOM 244 N GLU A 362 -1.953 4.401 -5.125 1.00 0.00 N ATOM 245 CA GLU A 362 -0.677 5.096 -5.005 1.00 0.00 C ATOM 246 C GLU A 362 -0.100 4.918 -3.605 1.00 0.00 C ATOM 247 O GLU A 362 1.117 4.913 -3.419 1.00 0.00 O ATOM 248 CB GLU A 362 -0.865 6.586 -5.297 1.00 0.00 C ATOM 249 CG GLU A 362 -0.024 6.978 -6.513 1.00 0.00 C ATOM 250 CD GLU A 362 1.186 7.794 -6.070 1.00 0.00 C ATOM 251 OE1 GLU A 362 2.225 7.665 -6.696 1.00 0.00 O ATOM 252 OE2 GLU A 362 1.056 8.535 -5.109 1.00 0.00 O ATOM 0 H GLU A 362 -2.754 5.009 -5.298 1.00 0.00 H new ATOM 0 HA GLU A 362 0.018 4.669 -5.728 1.00 0.00 H new ATOM 0 HB2 GLU A 362 -1.917 6.801 -5.485 1.00 0.00 H new ATOM 0 HB3 GLU A 362 -0.569 7.177 -4.431 1.00 0.00 H new ATOM 0 HG2 GLU A 362 0.304 6.083 -7.042 1.00 0.00 H new ATOM 0 HG3 GLU A 362 -0.628 7.558 -7.211 1.00 0.00 H new ATOM 259 N LYS A 363 -0.983 4.771 -2.621 1.00 0.00 N ATOM 260 CA LYS A 363 -0.551 4.593 -1.240 1.00 0.00 C ATOM 261 C LYS A 363 0.118 3.234 -1.059 1.00 0.00 C ATOM 262 O LYS A 363 1.212 3.139 -0.502 1.00 0.00 O ATOM 263 CB LYS A 363 -1.752 4.702 -0.299 1.00 0.00 C ATOM 264 CG LYS A 363 -1.468 5.755 0.774 1.00 0.00 C ATOM 265 CD LYS A 363 -0.824 5.084 1.987 1.00 0.00 C ATOM 266 CE LYS A 363 -1.908 4.712 3.001 1.00 0.00 C ATOM 267 NZ LYS A 363 -1.386 3.665 3.925 1.00 0.00 N ATOM 0 H LYS A 363 -1.994 4.772 -2.753 1.00 0.00 H new ATOM 0 HA LYS A 363 0.170 5.375 -1.001 1.00 0.00 H new ATOM 0 HB2 LYS A 363 -2.645 4.973 -0.862 1.00 0.00 H new ATOM 0 HB3 LYS A 363 -1.950 3.737 0.167 1.00 0.00 H new ATOM 0 HG2 LYS A 363 -0.807 6.525 0.377 1.00 0.00 H new ATOM 0 HG3 LYS A 363 -2.394 6.250 1.067 1.00 0.00 H new ATOM 0 HD2 LYS A 363 -0.280 4.192 1.676 1.00 0.00 H new ATOM 0 HD3 LYS A 363 -0.098 5.756 2.445 1.00 0.00 H new ATOM 0 HE2 LYS A 363 -2.210 5.594 3.567 1.00 0.00 H new ATOM 0 HE3 LYS A 363 -2.795 4.346 2.484 1.00 0.00 H new ATOM 0 HZ1 LYS A 363 -2.122 3.412 4.614 1.00 0.00 H new ATOM 0 HZ2 LYS A 363 -1.119 2.822 3.378 1.00 0.00 H new ATOM 0 HZ3 LYS A 363 -0.552 4.030 4.428 1.00 0.00 H new ATOM 281 N LYS A 364 -0.548 2.186 -1.534 1.00 0.00 N ATOM 282 CA LYS A 364 -0.008 0.836 -1.419 1.00 0.00 C ATOM 283 C LYS A 364 1.213 0.670 -2.317 1.00 0.00 C ATOM 284 O LYS A 364 2.258 0.190 -1.880 1.00 0.00 O ATOM 285 CB LYS A 364 -1.075 -0.188 -1.809 1.00 0.00 C ATOM 286 CG LYS A 364 -1.932 -0.524 -0.587 1.00 0.00 C ATOM 287 CD LYS A 364 -2.850 -1.704 -0.915 1.00 0.00 C ATOM 288 CE LYS A 364 -3.410 -2.292 0.381 1.00 0.00 C ATOM 289 NZ LYS A 364 -2.516 -3.383 0.860 1.00 0.00 N ATOM 0 H LYS A 364 -1.454 2.244 -1.998 1.00 0.00 H new ATOM 0 HA LYS A 364 0.292 0.671 -0.384 1.00 0.00 H new ATOM 0 HB2 LYS A 364 -1.701 0.210 -2.607 1.00 0.00 H new ATOM 0 HB3 LYS A 364 -0.603 -1.092 -2.195 1.00 0.00 H new ATOM 0 HG2 LYS A 364 -1.294 -0.771 0.261 1.00 0.00 H new ATOM 0 HG3 LYS A 364 -2.526 0.343 -0.297 1.00 0.00 H new ATOM 0 HD2 LYS A 364 -3.665 -1.376 -1.560 1.00 0.00 H new ATOM 0 HD3 LYS A 364 -2.297 -2.467 -1.464 1.00 0.00 H new ATOM 0 HE2 LYS A 364 -3.491 -1.514 1.140 1.00 0.00 H new ATOM 0 HE3 LYS A 364 -4.415 -2.679 0.213 1.00 0.00 H new ATOM 0 HZ1 LYS A 364 -2.897 -3.782 1.741 1.00 0.00 H new ATOM 0 HZ2 LYS A 364 -2.461 -4.129 0.137 1.00 0.00 H new ATOM 0 HZ3 LYS A 364 -1.565 -3.000 1.036 1.00 0.00 H new ATOM 303 N ILE A 365 1.072 1.069 -3.578 1.00 0.00 N ATOM 304 CA ILE A 365 2.169 0.959 -4.531 1.00 0.00 C ATOM 305 C ILE A 365 3.392 1.721 -4.030 1.00 0.00 C ATOM 306 O ILE A 365 4.513 1.212 -4.068 1.00 0.00 O ATOM 307 CB ILE A 365 1.739 1.515 -5.886 1.00 0.00 C ATOM 308 CG1 ILE A 365 0.854 0.489 -6.598 1.00 0.00 C ATOM 309 CG2 ILE A 365 2.977 1.800 -6.739 1.00 0.00 C ATOM 310 CD1 ILE A 365 0.983 0.667 -8.112 1.00 0.00 C ATOM 0 H ILE A 365 0.215 1.468 -3.960 1.00 0.00 H new ATOM 0 HA ILE A 365 2.430 -0.094 -4.637 1.00 0.00 H new ATOM 0 HB ILE A 365 1.180 2.439 -5.739 1.00 0.00 H new ATOM 0 HG12 ILE A 365 1.149 -0.521 -6.313 1.00 0.00 H new ATOM 0 HG13 ILE A 365 -0.185 0.615 -6.293 1.00 0.00 H new ATOM 0 HG21 ILE A 365 2.669 2.197 -7.706 1.00 0.00 H new ATOM 0 HG22 ILE A 365 3.608 2.530 -6.232 1.00 0.00 H new ATOM 0 HG23 ILE A 365 3.537 0.877 -6.887 1.00 0.00 H new ATOM 0 HD11 ILE A 365 0.353 -0.064 -8.619 1.00 0.00 H new ATOM 0 HD12 ILE A 365 0.667 1.673 -8.388 1.00 0.00 H new ATOM 0 HD13 ILE A 365 2.021 0.519 -8.409 1.00 0.00 H new ATOM 322 N ARG A 366 3.168 2.942 -3.560 1.00 0.00 N ATOM 323 CA ARG A 366 4.258 3.768 -3.053 1.00 0.00 C ATOM 324 C ARG A 366 4.903 3.113 -1.837 1.00 0.00 C ATOM 325 O ARG A 366 6.127 3.028 -1.741 1.00 0.00 O ATOM 326 CB ARG A 366 3.732 5.153 -2.671 1.00 0.00 C ATOM 327 CG ARG A 366 3.599 6.014 -3.929 1.00 0.00 C ATOM 328 CD ARG A 366 4.890 6.804 -4.145 1.00 0.00 C ATOM 329 NE ARG A 366 5.853 6.004 -4.892 1.00 0.00 N ATOM 330 CZ ARG A 366 7.108 6.412 -5.055 1.00 0.00 C ATOM 331 NH1 ARG A 366 7.496 7.548 -4.542 1.00 0.00 N ATOM 332 NH2 ARG A 366 7.951 5.679 -5.727 1.00 0.00 N ATOM 0 H ARG A 366 2.248 3.380 -3.519 1.00 0.00 H new ATOM 0 HA ARG A 366 5.007 3.870 -3.838 1.00 0.00 H new ATOM 0 HB2 ARG A 366 2.765 5.063 -2.176 1.00 0.00 H new ATOM 0 HB3 ARG A 366 4.410 5.628 -1.962 1.00 0.00 H new ATOM 0 HG2 ARG A 366 3.397 5.383 -4.795 1.00 0.00 H new ATOM 0 HG3 ARG A 366 2.755 6.696 -3.828 1.00 0.00 H new ATOM 0 HD2 ARG A 366 4.675 7.725 -4.686 1.00 0.00 H new ATOM 0 HD3 ARG A 366 5.314 7.091 -3.183 1.00 0.00 H new ATOM 0 HE ARG A 366 5.559 5.115 -5.297 1.00 0.00 H new ATOM 0 HH11 ARG A 366 6.837 8.122 -4.017 1.00 0.00 H new ATOM 0 HH12 ARG A 366 8.459 7.862 -4.667 1.00 0.00 H new ATOM 0 HH21 ARG A 366 7.648 4.792 -6.128 1.00 0.00 H new ATOM 0 HH22 ARG A 366 8.913 5.993 -5.851 1.00 0.00 H new ATOM 346 N ASP A 367 4.071 2.654 -0.909 1.00 0.00 N ATOM 347 CA ASP A 367 4.569 2.008 0.298 1.00 0.00 C ATOM 348 C ASP A 367 5.357 0.749 -0.054 1.00 0.00 C ATOM 349 O ASP A 367 6.447 0.519 0.470 1.00 0.00 O ATOM 350 CB ASP A 367 3.401 1.641 1.216 1.00 0.00 C ATOM 351 CG ASP A 367 3.751 1.974 2.662 1.00 0.00 C ATOM 352 OD1 ASP A 367 4.925 1.938 2.990 1.00 0.00 O ATOM 353 OD2 ASP A 367 2.839 2.260 3.420 1.00 0.00 O ATOM 0 H ASP A 367 3.055 2.717 -0.969 1.00 0.00 H new ATOM 0 HA ASP A 367 5.230 2.705 0.813 1.00 0.00 H new ATOM 0 HB2 ASP A 367 2.506 2.185 0.915 1.00 0.00 H new ATOM 0 HB3 ASP A 367 3.174 0.579 1.123 1.00 0.00 H new ATOM 358 N GLN A 368 4.797 -0.061 -0.946 1.00 0.00 N ATOM 359 CA GLN A 368 5.457 -1.294 -1.362 1.00 0.00 C ATOM 360 C GLN A 368 6.718 -0.983 -2.158 1.00 0.00 C ATOM 361 O GLN A 368 7.661 -1.773 -2.184 1.00 0.00 O ATOM 362 CB GLN A 368 4.505 -2.135 -2.215 1.00 0.00 C ATOM 363 CG GLN A 368 4.929 -2.056 -3.682 1.00 0.00 C ATOM 364 CD GLN A 368 3.919 -2.791 -4.558 1.00 0.00 C ATOM 365 OE1 GLN A 368 4.026 -2.770 -5.784 1.00 0.00 O ATOM 366 NE2 GLN A 368 2.936 -3.442 -3.997 1.00 0.00 N ATOM 0 H GLN A 368 3.896 0.111 -1.392 1.00 0.00 H new ATOM 0 HA GLN A 368 5.734 -1.855 -0.469 1.00 0.00 H new ATOM 0 HB2 GLN A 368 4.517 -3.171 -1.877 1.00 0.00 H new ATOM 0 HB3 GLN A 368 3.483 -1.774 -2.101 1.00 0.00 H new ATOM 0 HG2 GLN A 368 5.001 -1.014 -3.992 1.00 0.00 H new ATOM 0 HG3 GLN A 368 5.919 -2.495 -3.807 1.00 0.00 H new ATOM 0 HE21 GLN A 368 2.849 -3.458 -2.981 1.00 0.00 H new ATOM 0 HE22 GLN A 368 2.255 -3.934 -4.575 1.00 0.00 H new ATOM 375 N ASP A 369 6.726 0.176 -2.804 1.00 0.00 N ATOM 376 CA ASP A 369 7.875 0.590 -3.600 1.00 0.00 C ATOM 377 C ASP A 369 9.024 1.015 -2.694 1.00 0.00 C ATOM 378 O ASP A 369 10.189 0.736 -2.978 1.00 0.00 O ATOM 379 CB ASP A 369 7.486 1.751 -4.517 1.00 0.00 C ATOM 380 CG ASP A 369 8.059 1.529 -5.913 1.00 0.00 C ATOM 381 OD1 ASP A 369 7.579 0.634 -6.591 1.00 0.00 O ATOM 382 OD2 ASP A 369 8.965 2.254 -6.282 1.00 0.00 O ATOM 0 H ASP A 369 5.954 0.843 -2.793 1.00 0.00 H new ATOM 0 HA ASP A 369 8.198 -0.256 -4.207 1.00 0.00 H new ATOM 0 HB2 ASP A 369 6.401 1.835 -4.570 1.00 0.00 H new ATOM 0 HB3 ASP A 369 7.859 2.690 -4.107 1.00 0.00 H new ATOM 387 N ARG A 370 8.686 1.692 -1.604 1.00 0.00 N ATOM 388 CA ARG A 370 9.694 2.153 -0.657 1.00 0.00 C ATOM 389 C ARG A 370 10.228 0.985 0.166 1.00 0.00 C ATOM 390 O ARG A 370 11.414 0.927 0.485 1.00 0.00 O ATOM 391 CB ARG A 370 9.092 3.206 0.276 1.00 0.00 C ATOM 392 CG ARG A 370 8.771 4.471 -0.522 1.00 0.00 C ATOM 393 CD ARG A 370 9.004 5.702 0.356 1.00 0.00 C ATOM 394 NE ARG A 370 7.855 6.598 0.283 1.00 0.00 N ATOM 395 CZ ARG A 370 6.785 6.407 1.048 1.00 0.00 C ATOM 396 NH1 ARG A 370 6.749 5.403 1.881 1.00 0.00 N ATOM 397 NH2 ARG A 370 5.771 7.223 0.965 1.00 0.00 N ATOM 0 H ARG A 370 7.727 1.933 -1.354 1.00 0.00 H new ATOM 0 HA ARG A 370 10.518 2.595 -1.217 1.00 0.00 H new ATOM 0 HB2 ARG A 370 8.187 2.818 0.743 1.00 0.00 H new ATOM 0 HB3 ARG A 370 9.791 3.438 1.079 1.00 0.00 H new ATOM 0 HG2 ARG A 370 9.399 4.522 -1.411 1.00 0.00 H new ATOM 0 HG3 ARG A 370 7.736 4.445 -0.863 1.00 0.00 H new ATOM 0 HD2 ARG A 370 9.170 5.395 1.389 1.00 0.00 H new ATOM 0 HD3 ARG A 370 9.903 6.225 0.031 1.00 0.00 H new ATOM 0 HE ARG A 370 7.873 7.384 -0.366 1.00 0.00 H new ATOM 0 HH11 ARG A 370 7.542 4.765 1.945 1.00 0.00 H new ATOM 0 HH12 ARG A 370 5.928 5.257 2.468 1.00 0.00 H new ATOM 0 HH21 ARG A 370 5.799 8.007 0.313 1.00 0.00 H new ATOM 0 HH22 ARG A 370 4.950 7.077 1.552 1.00 0.00 H new ATOM 411 N ASN A 371 9.340 0.056 0.508 1.00 0.00 N ATOM 412 CA ASN A 371 9.732 -1.107 1.295 1.00 0.00 C ATOM 413 C ASN A 371 10.603 -2.046 0.465 1.00 0.00 C ATOM 414 O ASN A 371 11.652 -2.501 0.922 1.00 0.00 O ATOM 415 CB ASN A 371 8.487 -1.855 1.777 1.00 0.00 C ATOM 416 CG ASN A 371 8.839 -3.306 2.091 1.00 0.00 C ATOM 417 OD1 ASN A 371 8.998 -4.119 1.181 1.00 0.00 O ATOM 418 ND2 ASN A 371 8.970 -3.680 3.334 1.00 0.00 N ATOM 0 H ASN A 371 8.352 0.085 0.255 1.00 0.00 H new ATOM 0 HA ASN A 371 10.305 -0.764 2.156 1.00 0.00 H new ATOM 0 HB2 ASN A 371 8.082 -1.370 2.665 1.00 0.00 H new ATOM 0 HB3 ASN A 371 7.711 -1.818 1.012 1.00 0.00 H new ATOM 0 HD21 ASN A 371 9.205 -4.648 3.553 1.00 0.00 H new ATOM 0 HD22 ASN A 371 8.838 -3.004 4.087 1.00 0.00 H new ATOM 425 N THR A 372 10.162 -2.332 -0.755 1.00 0.00 N ATOM 426 CA THR A 372 10.911 -3.217 -1.639 1.00 0.00 C ATOM 427 C THR A 372 12.230 -2.573 -2.051 1.00 0.00 C ATOM 428 O THR A 372 13.283 -3.211 -2.011 1.00 0.00 O ATOM 429 CB THR A 372 10.083 -3.532 -2.888 1.00 0.00 C ATOM 430 OG1 THR A 372 9.651 -4.885 -2.838 1.00 0.00 O ATOM 431 CG2 THR A 372 10.937 -3.312 -4.137 1.00 0.00 C ATOM 0 H THR A 372 9.296 -1.967 -1.152 1.00 0.00 H new ATOM 0 HA THR A 372 11.123 -4.141 -1.101 1.00 0.00 H new ATOM 0 HB THR A 372 9.215 -2.874 -2.925 1.00 0.00 H new ATOM 0 HG1 THR A 372 9.119 -5.088 -3.636 1.00 0.00 H new ATOM 0 HG21 THR A 372 10.347 -3.536 -5.025 1.00 0.00 H new ATOM 0 HG22 THR A 372 11.267 -2.274 -4.174 1.00 0.00 H new ATOM 0 HG23 THR A 372 11.806 -3.969 -4.104 1.00 0.00 H new ATOM 439 N ARG A 373 12.167 -1.307 -2.448 1.00 0.00 N ATOM 440 CA ARG A 373 13.364 -0.586 -2.865 1.00 0.00 C ATOM 441 C ARG A 373 14.361 -0.490 -1.714 1.00 0.00 C ATOM 442 O ARG A 373 15.562 -0.679 -1.903 1.00 0.00 O ATOM 443 CB ARG A 373 12.990 0.820 -3.337 1.00 0.00 C ATOM 444 CG ARG A 373 12.558 0.767 -4.804 1.00 0.00 C ATOM 445 CD ARG A 373 13.673 0.144 -5.644 1.00 0.00 C ATOM 446 NE ARG A 373 13.511 0.503 -7.048 1.00 0.00 N ATOM 447 CZ ARG A 373 14.236 -0.081 -7.996 1.00 0.00 C ATOM 448 NH1 ARG A 373 15.113 -0.994 -7.678 1.00 0.00 N ATOM 449 NH2 ARG A 373 14.072 0.258 -9.245 1.00 0.00 N ATOM 0 H ARG A 373 11.306 -0.762 -2.490 1.00 0.00 H new ATOM 0 HA ARG A 373 13.826 -1.133 -3.686 1.00 0.00 H new ATOM 0 HB2 ARG A 373 12.182 1.219 -2.723 1.00 0.00 H new ATOM 0 HB3 ARG A 373 13.840 1.492 -3.221 1.00 0.00 H new ATOM 0 HG2 ARG A 373 11.644 0.182 -4.904 1.00 0.00 H new ATOM 0 HG3 ARG A 373 12.335 1.771 -5.165 1.00 0.00 H new ATOM 0 HD2 ARG A 373 14.643 0.486 -5.284 1.00 0.00 H new ATOM 0 HD3 ARG A 373 13.657 -0.940 -5.535 1.00 0.00 H new ATOM 0 HE ARG A 373 12.829 1.215 -7.307 1.00 0.00 H new ATOM 0 HH11 ARG A 373 15.242 -1.259 -6.702 1.00 0.00 H new ATOM 0 HH12 ARG A 373 15.669 -1.442 -8.406 1.00 0.00 H new ATOM 0 HH21 ARG A 373 13.387 0.972 -9.494 1.00 0.00 H new ATOM 0 HH22 ARG A 373 14.629 -0.191 -9.973 1.00 0.00 H new ATOM 463 N ARG A 374 13.852 -0.194 -0.522 1.00 0.00 N ATOM 464 CA ARG A 374 14.707 -0.075 0.654 1.00 0.00 C ATOM 465 C ARG A 374 15.365 -1.413 0.977 1.00 0.00 C ATOM 466 O ARG A 374 16.559 -1.474 1.268 1.00 0.00 O ATOM 467 CB ARG A 374 13.883 0.393 1.854 1.00 0.00 C ATOM 468 CG ARG A 374 13.985 1.914 1.984 1.00 0.00 C ATOM 469 CD ARG A 374 13.201 2.376 3.212 1.00 0.00 C ATOM 470 NE ARG A 374 13.642 3.705 3.621 1.00 0.00 N ATOM 471 CZ ARG A 374 13.166 4.798 3.033 1.00 0.00 C ATOM 472 NH1 ARG A 374 12.291 4.693 2.071 1.00 0.00 N ATOM 473 NH2 ARG A 374 13.578 5.976 3.416 1.00 0.00 N ATOM 0 H ARG A 374 12.860 -0.033 -0.345 1.00 0.00 H new ATOM 0 HA ARG A 374 15.486 0.657 0.440 1.00 0.00 H new ATOM 0 HB2 ARG A 374 12.841 0.097 1.730 1.00 0.00 H new ATOM 0 HB3 ARG A 374 14.244 -0.085 2.765 1.00 0.00 H new ATOM 0 HG2 ARG A 374 15.030 2.212 2.073 1.00 0.00 H new ATOM 0 HG3 ARG A 374 13.592 2.393 1.087 1.00 0.00 H new ATOM 0 HD2 ARG A 374 12.135 2.392 2.987 1.00 0.00 H new ATOM 0 HD3 ARG A 374 13.343 1.670 4.030 1.00 0.00 H new ATOM 0 HE ARG A 374 14.327 3.797 4.371 1.00 0.00 H new ATOM 0 HH11 ARG A 374 11.972 3.772 1.770 1.00 0.00 H new ATOM 0 HH12 ARG A 374 11.926 5.532 1.620 1.00 0.00 H new ATOM 0 HH21 ARG A 374 14.265 6.057 4.166 1.00 0.00 H new ATOM 0 HH22 ARG A 374 13.213 6.815 2.965 1.00 0.00 H new ATOM 487 N MET A 375 14.578 -2.481 0.920 1.00 0.00 N ATOM 488 CA MET A 375 15.095 -3.815 1.209 1.00 0.00 C ATOM 489 C MET A 375 15.848 -4.369 0.004 1.00 0.00 C ATOM 490 O MET A 375 16.668 -5.277 0.135 1.00 0.00 O ATOM 491 CB MET A 375 13.945 -4.756 1.571 1.00 0.00 C ATOM 492 CG MET A 375 13.078 -5.005 0.335 1.00 0.00 C ATOM 493 SD MET A 375 12.661 -6.762 0.235 1.00 0.00 S ATOM 494 CE MET A 375 14.129 -7.294 -0.680 1.00 0.00 C ATOM 0 H MET A 375 13.587 -2.451 0.678 1.00 0.00 H new ATOM 0 HA MET A 375 15.782 -3.743 2.052 1.00 0.00 H new ATOM 0 HB2 MET A 375 14.339 -5.700 1.948 1.00 0.00 H new ATOM 0 HB3 MET A 375 13.343 -4.321 2.369 1.00 0.00 H new ATOM 0 HG2 MET A 375 12.168 -4.407 0.389 1.00 0.00 H new ATOM 0 HG3 MET A 375 13.610 -4.695 -0.564 1.00 0.00 H new ATOM 0 HE1 MET A 375 13.999 -8.325 -1.009 1.00 0.00 H new ATOM 0 HE2 MET A 375 14.269 -6.651 -1.549 1.00 0.00 H new ATOM 0 HE3 MET A 375 15.004 -7.227 -0.034 1.00 0.00 H new