USER MOD reduce.3.24.130724 H: found=0, std=0, add=152, rem=0, adj=1 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 180:sc= 0 (180deg=0) 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= -1.11 K(o=-1.1,f=0) USER MOD Single : A 371 ASN : amide:sc= -0.135 X(o=-0.13,f=-0.022) USER MOD ----------------------------------------------------------------- ATOM 202 N ALA A 359 -6.029 7.042 -4.831 1.00 0.00 N ATOM 203 CA ALA A 359 -5.290 7.391 -3.623 1.00 0.00 C ATOM 204 C ALA A 359 -4.796 6.135 -2.913 1.00 0.00 C ATOM 205 O ALA A 359 -3.626 6.038 -2.542 1.00 0.00 O ATOM 206 CB ALA A 359 -6.185 8.194 -2.677 1.00 0.00 C ATOM 0 HA ALA A 359 -4.429 7.995 -3.910 1.00 0.00 H new ATOM 0 HB1 ALA A 359 -5.626 8.451 -1.777 1.00 0.00 H new ATOM 0 HB2 ALA A 359 -6.512 9.107 -3.174 1.00 0.00 H new ATOM 0 HB3 ALA A 359 -7.055 7.597 -2.405 1.00 0.00 H new ATOM 212 N GLU A 360 -5.694 5.174 -2.728 1.00 0.00 N ATOM 213 CA GLU A 360 -5.340 3.928 -2.062 1.00 0.00 C ATOM 214 C GLU A 360 -4.329 3.142 -2.891 1.00 0.00 C ATOM 215 O GLU A 360 -3.335 2.642 -2.364 1.00 0.00 O ATOM 216 CB GLU A 360 -6.590 3.082 -1.845 1.00 0.00 C ATOM 217 CG GLU A 360 -7.259 3.488 -0.531 1.00 0.00 C ATOM 218 CD GLU A 360 -7.613 2.247 0.280 1.00 0.00 C ATOM 219 OE1 GLU A 360 -6.701 1.520 0.641 1.00 0.00 O ATOM 220 OE2 GLU A 360 -8.790 2.040 0.529 1.00 0.00 O ATOM 0 H GLU A 360 -6.667 5.234 -3.028 1.00 0.00 H new ATOM 0 HA GLU A 360 -4.891 4.169 -1.098 1.00 0.00 H new ATOM 0 HB2 GLU A 360 -7.283 3.218 -2.675 1.00 0.00 H new ATOM 0 HB3 GLU A 360 -6.327 2.025 -1.820 1.00 0.00 H new ATOM 0 HG2 GLU A 360 -6.591 4.129 0.044 1.00 0.00 H new ATOM 0 HG3 GLU A 360 -8.159 4.068 -0.736 1.00 0.00 H new ATOM 227 N MET A 361 -4.588 3.038 -4.190 1.00 0.00 N ATOM 228 CA MET A 361 -3.693 2.312 -5.082 1.00 0.00 C ATOM 229 C MET A 361 -2.297 2.926 -5.057 1.00 0.00 C ATOM 230 O MET A 361 -1.297 2.215 -4.955 1.00 0.00 O ATOM 231 CB MET A 361 -4.241 2.342 -6.510 1.00 0.00 C ATOM 232 CG MET A 361 -3.575 3.479 -7.289 1.00 0.00 C ATOM 233 SD MET A 361 -4.174 3.473 -8.997 1.00 0.00 S ATOM 234 CE MET A 361 -2.642 4.037 -9.777 1.00 0.00 C ATOM 0 H MET A 361 -5.405 3.444 -4.646 1.00 0.00 H new ATOM 0 HA MET A 361 -3.629 1.279 -4.740 1.00 0.00 H new ATOM 0 HB2 MET A 361 -4.051 1.389 -7.004 1.00 0.00 H new ATOM 0 HB3 MET A 361 -5.322 2.483 -6.493 1.00 0.00 H new ATOM 0 HG2 MET A 361 -3.798 4.436 -6.818 1.00 0.00 H new ATOM 0 HG3 MET A 361 -2.492 3.360 -7.272 1.00 0.00 H new ATOM 0 HE1 MET A 361 -2.787 4.106 -10.855 1.00 0.00 H new ATOM 0 HE2 MET A 361 -2.373 5.017 -9.383 1.00 0.00 H new ATOM 0 HE3 MET A 361 -1.842 3.328 -9.563 1.00 0.00 H new ATOM 244 N GLU A 362 -2.238 4.251 -5.149 1.00 0.00 N ATOM 245 CA GLU A 362 -0.958 4.950 -5.135 1.00 0.00 C ATOM 246 C GLU A 362 -0.300 4.833 -3.764 1.00 0.00 C ATOM 247 O GLU A 362 0.926 4.803 -3.654 1.00 0.00 O ATOM 248 CB GLU A 362 -1.166 6.426 -5.480 1.00 0.00 C ATOM 249 CG GLU A 362 -1.197 6.596 -6.999 1.00 0.00 C ATOM 250 CD GLU A 362 -0.846 8.033 -7.370 1.00 0.00 C ATOM 251 OE1 GLU A 362 -0.661 8.292 -8.548 1.00 0.00 O ATOM 252 OE2 GLU A 362 -0.768 8.853 -6.471 1.00 0.00 O ATOM 0 H GLU A 362 -3.054 4.857 -5.233 1.00 0.00 H new ATOM 0 HA GLU A 362 -0.306 4.492 -5.879 1.00 0.00 H new ATOM 0 HB2 GLU A 362 -2.099 6.784 -5.044 1.00 0.00 H new ATOM 0 HB3 GLU A 362 -0.363 7.027 -5.053 1.00 0.00 H new ATOM 0 HG2 GLU A 362 -0.491 5.909 -7.465 1.00 0.00 H new ATOM 0 HG3 GLU A 362 -2.186 6.344 -7.381 1.00 0.00 H new ATOM 259 N LYS A 363 -1.122 4.768 -2.722 1.00 0.00 N ATOM 260 CA LYS A 363 -0.609 4.655 -1.362 1.00 0.00 C ATOM 261 C LYS A 363 0.124 3.330 -1.175 1.00 0.00 C ATOM 262 O LYS A 363 1.249 3.297 -0.676 1.00 0.00 O ATOM 263 CB LYS A 363 -1.760 4.749 -0.359 1.00 0.00 C ATOM 264 CG LYS A 363 -1.443 5.819 0.686 1.00 0.00 C ATOM 265 CD LYS A 363 -0.824 5.162 1.920 1.00 0.00 C ATOM 266 CE LYS A 363 0.588 5.711 2.139 1.00 0.00 C ATOM 267 NZ LYS A 363 0.595 6.600 3.335 1.00 0.00 N ATOM 0 H LYS A 363 -2.139 4.791 -2.792 1.00 0.00 H new ATOM 0 HA LYS A 363 0.090 5.473 -1.189 1.00 0.00 H new ATOM 0 HB2 LYS A 363 -2.687 4.995 -0.876 1.00 0.00 H new ATOM 0 HB3 LYS A 363 -1.912 3.785 0.127 1.00 0.00 H new ATOM 0 HG2 LYS A 363 -0.756 6.556 0.270 1.00 0.00 H new ATOM 0 HG3 LYS A 363 -2.352 6.352 0.963 1.00 0.00 H new ATOM 0 HD2 LYS A 363 -1.441 5.357 2.797 1.00 0.00 H new ATOM 0 HD3 LYS A 363 -0.789 4.080 1.790 1.00 0.00 H new ATOM 0 HE2 LYS A 363 1.291 4.890 2.279 1.00 0.00 H new ATOM 0 HE3 LYS A 363 0.915 6.265 1.259 1.00 0.00 H new ATOM 0 HZ1 LYS A 363 1.554 6.973 3.484 1.00 0.00 H new ATOM 0 HZ2 LYS A 363 -0.064 7.390 3.184 1.00 0.00 H new ATOM 0 HZ3 LYS A 363 0.300 6.058 4.172 1.00 0.00 H new ATOM 281 N LYS A 364 -0.521 2.240 -1.580 1.00 0.00 N ATOM 282 CA LYS A 364 0.080 0.918 -1.452 1.00 0.00 C ATOM 283 C LYS A 364 1.297 0.793 -2.362 1.00 0.00 C ATOM 284 O LYS A 364 2.354 0.324 -1.939 1.00 0.00 O ATOM 285 CB LYS A 364 -0.946 -0.158 -1.817 1.00 0.00 C ATOM 286 CG LYS A 364 -0.671 -0.667 -3.233 1.00 0.00 C ATOM 287 CD LYS A 364 -1.708 -1.730 -3.603 1.00 0.00 C ATOM 288 CE LYS A 364 -1.377 -2.308 -4.981 1.00 0.00 C ATOM 289 NZ LYS A 364 -2.605 -2.316 -5.824 1.00 0.00 N ATOM 0 H LYS A 364 -1.452 2.246 -1.996 1.00 0.00 H new ATOM 0 HA LYS A 364 0.398 0.781 -0.418 1.00 0.00 H new ATOM 0 HB2 LYS A 364 -0.892 -0.983 -1.106 1.00 0.00 H new ATOM 0 HB3 LYS A 364 -1.955 0.251 -1.756 1.00 0.00 H new ATOM 0 HG2 LYS A 364 -0.712 0.159 -3.943 1.00 0.00 H new ATOM 0 HG3 LYS A 364 0.333 -1.087 -3.291 1.00 0.00 H new ATOM 0 HD2 LYS A 364 -1.714 -2.524 -2.856 1.00 0.00 H new ATOM 0 HD3 LYS A 364 -2.706 -1.292 -3.611 1.00 0.00 H new ATOM 0 HE2 LYS A 364 -0.599 -1.713 -5.459 1.00 0.00 H new ATOM 0 HE3 LYS A 364 -0.987 -3.321 -4.878 1.00 0.00 H new ATOM 0 HZ1 LYS A 364 -2.381 -2.709 -6.761 1.00 0.00 H new ATOM 0 HZ2 LYS A 364 -3.335 -2.901 -5.369 1.00 0.00 H new ATOM 0 HZ3 LYS A 364 -2.958 -1.344 -5.932 1.00 0.00 H new ATOM 303 N ILE A 365 1.141 1.214 -3.614 1.00 0.00 N ATOM 304 CA ILE A 365 2.235 1.143 -4.574 1.00 0.00 C ATOM 305 C ILE A 365 3.447 1.917 -4.066 1.00 0.00 C ATOM 306 O ILE A 365 4.573 1.422 -4.106 1.00 0.00 O ATOM 307 CB ILE A 365 1.787 1.718 -5.916 1.00 0.00 C ATOM 308 CG1 ILE A 365 1.051 0.637 -6.712 1.00 0.00 C ATOM 309 CG2 ILE A 365 3.010 2.189 -6.706 1.00 0.00 C ATOM 310 CD1 ILE A 365 1.436 0.739 -8.189 1.00 0.00 C ATOM 0 H ILE A 365 0.275 1.605 -3.984 1.00 0.00 H new ATOM 0 HA ILE A 365 2.515 0.097 -4.701 1.00 0.00 H new ATOM 0 HB ILE A 365 1.120 2.563 -5.744 1.00 0.00 H new ATOM 0 HG12 ILE A 365 1.306 -0.350 -6.326 1.00 0.00 H new ATOM 0 HG13 ILE A 365 -0.026 0.756 -6.597 1.00 0.00 H new ATOM 0 HG21 ILE A 365 2.689 2.599 -7.663 1.00 0.00 H new ATOM 0 HG22 ILE A 365 3.535 2.958 -6.140 1.00 0.00 H new ATOM 0 HG23 ILE A 365 3.679 1.346 -6.878 1.00 0.00 H new ATOM 0 HD11 ILE A 365 0.912 -0.031 -8.756 1.00 0.00 H new ATOM 0 HD12 ILE A 365 1.159 1.722 -8.570 1.00 0.00 H new ATOM 0 HD13 ILE A 365 2.512 0.599 -8.295 1.00 0.00 H new ATOM 322 N ARG A 366 3.207 3.132 -3.588 1.00 0.00 N ATOM 323 CA ARG A 366 4.284 3.967 -3.072 1.00 0.00 C ATOM 324 C ARG A 366 4.966 3.291 -1.888 1.00 0.00 C ATOM 325 O ARG A 366 6.190 3.168 -1.849 1.00 0.00 O ATOM 326 CB ARG A 366 3.732 5.326 -2.640 1.00 0.00 C ATOM 327 CG ARG A 366 3.457 6.184 -3.876 1.00 0.00 C ATOM 328 CD ARG A 366 4.764 6.810 -4.365 1.00 0.00 C ATOM 329 NE ARG A 366 5.005 6.452 -5.759 1.00 0.00 N ATOM 330 CZ ARG A 366 4.452 7.142 -6.751 1.00 0.00 C ATOM 331 NH1 ARG A 366 3.678 8.159 -6.486 1.00 0.00 N ATOM 332 NH2 ARG A 366 4.683 6.802 -7.989 1.00 0.00 N ATOM 0 H ARG A 366 2.282 3.559 -3.547 1.00 0.00 H new ATOM 0 HA ARG A 366 5.018 4.111 -3.865 1.00 0.00 H new ATOM 0 HB2 ARG A 366 2.815 5.192 -2.067 1.00 0.00 H new ATOM 0 HB3 ARG A 366 4.445 5.829 -1.987 1.00 0.00 H new ATOM 0 HG2 ARG A 366 3.017 5.574 -4.664 1.00 0.00 H new ATOM 0 HG3 ARG A 366 2.735 6.965 -3.636 1.00 0.00 H new ATOM 0 HD2 ARG A 366 4.716 7.894 -4.264 1.00 0.00 H new ATOM 0 HD3 ARG A 366 5.593 6.468 -3.746 1.00 0.00 H new ATOM 0 HE ARG A 366 5.608 5.659 -5.976 1.00 0.00 H new ATOM 0 HH11 ARG A 366 3.498 8.424 -5.518 1.00 0.00 H new ATOM 0 HH12 ARG A 366 3.253 8.689 -7.247 1.00 0.00 H new ATOM 0 HH21 ARG A 366 5.288 6.007 -8.195 1.00 0.00 H new ATOM 0 HH22 ARG A 366 4.259 7.331 -8.751 1.00 0.00 H new ATOM 346 N ASP A 367 4.164 2.855 -0.923 1.00 0.00 N ATOM 347 CA ASP A 367 4.698 2.192 0.260 1.00 0.00 C ATOM 348 C ASP A 367 5.446 0.922 -0.131 1.00 0.00 C ATOM 349 O ASP A 367 6.541 0.656 0.366 1.00 0.00 O ATOM 350 CB ASP A 367 3.561 1.842 1.220 1.00 0.00 C ATOM 351 CG ASP A 367 4.096 1.725 2.643 1.00 0.00 C ATOM 352 OD1 ASP A 367 3.887 2.649 3.412 1.00 0.00 O ATOM 353 OD2 ASP A 367 4.706 0.713 2.944 1.00 0.00 O ATOM 0 H ASP A 367 3.148 2.948 -0.936 1.00 0.00 H new ATOM 0 HA ASP A 367 5.392 2.872 0.753 1.00 0.00 H new ATOM 0 HB2 ASP A 367 2.788 2.609 1.176 1.00 0.00 H new ATOM 0 HB3 ASP A 367 3.096 0.903 0.919 1.00 0.00 H new ATOM 358 N GLN A 368 4.849 0.140 -1.024 1.00 0.00 N ATOM 359 CA GLN A 368 5.468 -1.101 -1.475 1.00 0.00 C ATOM 360 C GLN A 368 6.739 -0.808 -2.263 1.00 0.00 C ATOM 361 O GLN A 368 7.654 -1.629 -2.314 1.00 0.00 O ATOM 362 CB GLN A 368 4.490 -1.887 -2.349 1.00 0.00 C ATOM 363 CG GLN A 368 4.994 -1.900 -3.794 1.00 0.00 C ATOM 364 CD GLN A 368 4.048 -2.714 -4.670 1.00 0.00 C ATOM 365 OE1 GLN A 368 4.409 -3.105 -5.779 1.00 0.00 O ATOM 366 NE2 GLN A 368 2.849 -2.992 -4.236 1.00 0.00 N ATOM 0 H GLN A 368 3.943 0.341 -1.447 1.00 0.00 H new ATOM 0 HA GLN A 368 5.727 -1.696 -0.599 1.00 0.00 H new ATOM 0 HB2 GLN A 368 4.393 -2.907 -1.977 1.00 0.00 H new ATOM 0 HB3 GLN A 368 3.499 -1.435 -2.302 1.00 0.00 H new ATOM 0 HG2 GLN A 368 5.065 -0.880 -4.172 1.00 0.00 H new ATOM 0 HG3 GLN A 368 5.997 -2.326 -3.834 1.00 0.00 H new ATOM 0 HE21 GLN A 368 2.551 -2.667 -3.316 1.00 0.00 H new ATOM 0 HE22 GLN A 368 2.209 -3.534 -4.817 1.00 0.00 H new ATOM 375 N ASP A 369 6.784 0.367 -2.876 1.00 0.00 N ATOM 376 CA ASP A 369 7.947 0.764 -3.662 1.00 0.00 C ATOM 377 C ASP A 369 9.112 1.126 -2.749 1.00 0.00 C ATOM 378 O ASP A 369 10.254 0.741 -2.998 1.00 0.00 O ATOM 379 CB ASP A 369 7.595 1.962 -4.546 1.00 0.00 C ATOM 380 CG ASP A 369 8.278 1.827 -5.903 1.00 0.00 C ATOM 381 OD1 ASP A 369 8.565 2.848 -6.504 1.00 0.00 O ATOM 382 OD2 ASP A 369 8.505 0.702 -6.319 1.00 0.00 O ATOM 0 H ASP A 369 6.035 1.059 -2.846 1.00 0.00 H new ATOM 0 HA ASP A 369 8.242 -0.076 -4.291 1.00 0.00 H new ATOM 0 HB2 ASP A 369 6.515 2.022 -4.678 1.00 0.00 H new ATOM 0 HB3 ASP A 369 7.909 2.887 -4.062 1.00 0.00 H new ATOM 387 N ARG A 370 8.813 1.869 -1.691 1.00 0.00 N ATOM 388 CA ARG A 370 9.840 2.281 -0.742 1.00 0.00 C ATOM 389 C ARG A 370 10.340 1.083 0.060 1.00 0.00 C ATOM 390 O ARG A 370 11.525 0.987 0.376 1.00 0.00 O ATOM 391 CB ARG A 370 9.277 3.336 0.210 1.00 0.00 C ATOM 392 CG ARG A 370 9.271 4.698 -0.485 1.00 0.00 C ATOM 393 CD ARG A 370 8.099 4.765 -1.466 1.00 0.00 C ATOM 394 NE ARG A 370 8.191 5.971 -2.281 1.00 0.00 N ATOM 395 CZ ARG A 370 7.704 7.130 -1.851 1.00 0.00 C ATOM 396 NH1 ARG A 370 7.132 7.204 -0.680 1.00 0.00 N ATOM 397 NH2 ARG A 370 7.797 8.196 -2.598 1.00 0.00 N ATOM 0 H ARG A 370 7.873 2.197 -1.469 1.00 0.00 H new ATOM 0 HA ARG A 370 10.675 2.704 -1.300 1.00 0.00 H new ATOM 0 HB2 ARG A 370 8.265 3.066 0.512 1.00 0.00 H new ATOM 0 HB3 ARG A 370 9.880 3.381 1.117 1.00 0.00 H new ATOM 0 HG2 ARG A 370 9.187 5.495 0.254 1.00 0.00 H new ATOM 0 HG3 ARG A 370 10.211 4.852 -1.014 1.00 0.00 H new ATOM 0 HD2 ARG A 370 8.101 3.883 -2.107 1.00 0.00 H new ATOM 0 HD3 ARG A 370 7.156 4.759 -0.919 1.00 0.00 H new ATOM 0 HE ARG A 370 8.637 5.924 -3.197 1.00 0.00 H new ATOM 0 HH11 ARG A 370 7.059 6.372 -0.095 1.00 0.00 H new ATOM 0 HH12 ARG A 370 6.758 8.094 -0.350 1.00 0.00 H new ATOM 0 HH21 ARG A 370 8.244 8.140 -3.513 1.00 0.00 H new ATOM 0 HH22 ARG A 370 7.423 9.085 -2.267 1.00 0.00 H new ATOM 411 N ASN A 371 9.427 0.172 0.383 1.00 0.00 N ATOM 412 CA ASN A 371 9.787 -1.016 1.148 1.00 0.00 C ATOM 413 C ASN A 371 10.625 -1.966 0.299 1.00 0.00 C ATOM 414 O ASN A 371 11.678 -2.437 0.732 1.00 0.00 O ATOM 415 CB ASN A 371 8.524 -1.733 1.625 1.00 0.00 C ATOM 416 CG ASN A 371 8.524 -1.833 3.147 1.00 0.00 C ATOM 417 OD1 ASN A 371 8.330 -2.917 3.699 1.00 0.00 O ATOM 418 ND2 ASN A 371 8.730 -0.762 3.861 1.00 0.00 N ATOM 0 H ASN A 371 8.441 0.233 0.129 1.00 0.00 H new ATOM 0 HA ASN A 371 10.375 -0.705 2.012 1.00 0.00 H new ATOM 0 HB2 ASN A 371 7.640 -1.192 1.288 1.00 0.00 H new ATOM 0 HB3 ASN A 371 8.474 -2.730 1.187 1.00 0.00 H new ATOM 0 HD21 ASN A 371 8.731 -0.820 4.879 1.00 0.00 H new ATOM 0 HD22 ASN A 371 8.890 0.134 3.401 1.00 0.00 H new ATOM 425 N THR A 372 10.152 -2.244 -0.912 1.00 0.00 N ATOM 426 CA THR A 372 10.868 -3.141 -1.813 1.00 0.00 C ATOM 427 C THR A 372 12.241 -2.574 -2.153 1.00 0.00 C ATOM 428 O THR A 372 13.239 -3.295 -2.155 1.00 0.00 O ATOM 429 CB THR A 372 10.062 -3.340 -3.098 1.00 0.00 C ATOM 430 OG1 THR A 372 9.538 -4.661 -3.125 1.00 0.00 O ATOM 431 CG2 THR A 372 10.970 -3.125 -4.310 1.00 0.00 C ATOM 0 H THR A 372 9.284 -1.865 -1.290 1.00 0.00 H new ATOM 0 HA THR A 372 10.999 -4.101 -1.314 1.00 0.00 H new ATOM 0 HB THR A 372 9.243 -2.622 -3.129 1.00 0.00 H new ATOM 0 HG1 THR A 372 9.020 -4.791 -3.947 1.00 0.00 H new ATOM 0 HG21 THR A 372 10.395 -3.267 -5.225 1.00 0.00 H new ATOM 0 HG22 THR A 372 11.373 -2.112 -4.288 1.00 0.00 H new ATOM 0 HG23 THR A 372 11.790 -3.842 -4.282 1.00 0.00 H new ATOM 439 N ARG A 373 12.286 -1.277 -2.443 1.00 0.00 N ATOM 440 CA ARG A 373 13.544 -0.623 -2.784 1.00 0.00 C ATOM 441 C ARG A 373 14.484 -0.610 -1.584 1.00 0.00 C ATOM 442 O ARG A 373 15.689 -0.820 -1.724 1.00 0.00 O ATOM 443 CB ARG A 373 13.278 0.811 -3.244 1.00 0.00 C ATOM 444 CG ARG A 373 13.121 0.840 -4.765 1.00 0.00 C ATOM 445 CD ARG A 373 14.450 0.468 -5.424 1.00 0.00 C ATOM 446 NE ARG A 373 15.532 1.268 -4.863 1.00 0.00 N ATOM 447 CZ ARG A 373 15.716 2.531 -5.234 1.00 0.00 C ATOM 448 NH1 ARG A 373 14.921 3.076 -6.115 1.00 0.00 N ATOM 449 NH2 ARG A 373 16.692 3.227 -4.718 1.00 0.00 N ATOM 0 H ARG A 373 11.472 -0.662 -2.449 1.00 0.00 H new ATOM 0 HA ARG A 373 14.015 -1.182 -3.593 1.00 0.00 H new ATOM 0 HB2 ARG A 373 12.376 1.195 -2.768 1.00 0.00 H new ATOM 0 HB3 ARG A 373 14.100 1.460 -2.940 1.00 0.00 H new ATOM 0 HG2 ARG A 373 12.342 0.143 -5.074 1.00 0.00 H new ATOM 0 HG3 ARG A 373 12.807 1.832 -5.090 1.00 0.00 H new ATOM 0 HD2 ARG A 373 14.655 -0.592 -5.272 1.00 0.00 H new ATOM 0 HD3 ARG A 373 14.388 0.630 -6.500 1.00 0.00 H new ATOM 0 HE ARG A 373 16.158 0.851 -4.174 1.00 0.00 H new ATOM 0 HH11 ARG A 373 14.158 2.532 -6.519 1.00 0.00 H new ATOM 0 HH12 ARG A 373 15.063 4.045 -6.399 1.00 0.00 H new ATOM 0 HH21 ARG A 373 17.314 2.802 -4.030 1.00 0.00 H new ATOM 0 HH22 ARG A 373 16.833 4.196 -5.003 1.00 0.00 H new ATOM 463 N ARG A 374 13.925 -0.362 -0.404 1.00 0.00 N ATOM 464 CA ARG A 374 14.724 -0.324 0.816 1.00 0.00 C ATOM 465 C ARG A 374 15.348 -1.688 1.091 1.00 0.00 C ATOM 466 O ARG A 374 16.525 -1.785 1.438 1.00 0.00 O ATOM 467 CB ARG A 374 13.849 0.087 2.001 1.00 0.00 C ATOM 468 CG ARG A 374 14.241 1.492 2.462 1.00 0.00 C ATOM 469 CD ARG A 374 15.593 1.438 3.175 1.00 0.00 C ATOM 470 NE ARG A 374 15.406 1.164 4.594 1.00 0.00 N ATOM 471 CZ ARG A 374 16.348 0.555 5.307 1.00 0.00 C ATOM 472 NH1 ARG A 374 17.463 0.190 4.737 1.00 0.00 N ATOM 473 NH2 ARG A 374 16.157 0.321 6.576 1.00 0.00 N ATOM 0 H ARG A 374 12.930 -0.186 -0.267 1.00 0.00 H new ATOM 0 HA ARG A 374 15.521 0.407 0.683 1.00 0.00 H new ATOM 0 HB2 ARG A 374 12.798 0.067 1.714 1.00 0.00 H new ATOM 0 HB3 ARG A 374 13.970 -0.623 2.819 1.00 0.00 H new ATOM 0 HG2 ARG A 374 14.296 2.165 1.606 1.00 0.00 H new ATOM 0 HG3 ARG A 374 13.480 1.891 3.133 1.00 0.00 H new ATOM 0 HD2 ARG A 374 16.217 0.664 2.728 1.00 0.00 H new ATOM 0 HD3 ARG A 374 16.118 2.385 3.047 1.00 0.00 H new ATOM 0 HE ARG A 374 14.537 1.445 5.048 1.00 0.00 H new ATOM 0 HH11 ARG A 374 17.612 0.372 3.744 1.00 0.00 H new ATOM 0 HH12 ARG A 374 18.186 -0.277 5.284 1.00 0.00 H new ATOM 0 HH21 ARG A 374 15.285 0.605 7.021 1.00 0.00 H new ATOM 0 HH22 ARG A 374 16.880 -0.146 7.123 1.00 0.00 H new ATOM 487 N MET A 375 14.551 -2.741 0.932 1.00 0.00 N ATOM 488 CA MET A 375 15.036 -4.095 1.166 1.00 0.00 C ATOM 489 C MET A 375 15.843 -4.589 -0.029 1.00 0.00 C ATOM 490 O MET A 375 16.644 -5.517 0.090 1.00 0.00 O ATOM 491 CB MET A 375 13.857 -5.038 1.414 1.00 0.00 C ATOM 492 CG MET A 375 13.249 -5.459 0.075 1.00 0.00 C ATOM 493 SD MET A 375 11.617 -6.188 0.357 1.00 0.00 S ATOM 494 CE MET A 375 11.601 -7.273 -1.092 1.00 0.00 C ATOM 0 H MET A 375 13.574 -2.683 0.644 1.00 0.00 H new ATOM 0 HA MET A 375 15.681 -4.082 2.045 1.00 0.00 H new ATOM 0 HB2 MET A 375 14.190 -5.917 1.966 1.00 0.00 H new ATOM 0 HB3 MET A 375 13.104 -4.543 2.027 1.00 0.00 H new ATOM 0 HG2 MET A 375 13.165 -4.596 -0.586 1.00 0.00 H new ATOM 0 HG3 MET A 375 13.900 -6.179 -0.422 1.00 0.00 H new ATOM 0 HE1 MET A 375 10.665 -7.831 -1.118 1.00 0.00 H new ATOM 0 HE2 MET A 375 11.691 -6.673 -1.997 1.00 0.00 H new ATOM 0 HE3 MET A 375 12.437 -7.970 -1.034 1.00 0.00 H new