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 Set 1.1: A 371 ASN : amide:sc= 0 X(o=0,f=-0.18) USER MOD Set 1.2: A 375 MET CE :methyl -152:sc= 0 (180deg=0) USER MOD Single : A 361 MET CE :methyl -140:sc= -0.289 (180deg=-1.75!) 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= 0 X(o=0,f=-0.0098) USER MOD Single : A 372 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 202 N ALA A 359 -5.641 7.317 -4.889 1.00 0.00 N ATOM 203 CA ALA A 359 -4.894 7.571 -3.662 1.00 0.00 C ATOM 204 C ALA A 359 -4.533 6.260 -2.973 1.00 0.00 C ATOM 205 O ALA A 359 -3.385 6.046 -2.585 1.00 0.00 O ATOM 206 CB ALA A 359 -5.726 8.437 -2.715 1.00 0.00 C ATOM 0 HA ALA A 359 -3.974 8.096 -3.920 1.00 0.00 H new ATOM 0 HB1 ALA A 359 -5.162 8.622 -1.801 1.00 0.00 H new ATOM 0 HB2 ALA A 359 -5.956 9.387 -3.198 1.00 0.00 H new ATOM 0 HB3 ALA A 359 -6.654 7.920 -2.470 1.00 0.00 H new ATOM 212 N GLU A 360 -5.523 5.385 -2.823 1.00 0.00 N ATOM 213 CA GLU A 360 -5.299 4.098 -2.177 1.00 0.00 C ATOM 214 C GLU A 360 -4.307 3.260 -2.979 1.00 0.00 C ATOM 215 O GLU A 360 -3.382 2.671 -2.418 1.00 0.00 O ATOM 216 CB GLU A 360 -6.620 3.344 -2.051 1.00 0.00 C ATOM 217 CG GLU A 360 -7.315 3.749 -0.750 1.00 0.00 C ATOM 218 CD GLU A 360 -7.795 2.506 -0.006 1.00 0.00 C ATOM 219 OE1 GLU A 360 -7.265 1.441 -0.271 1.00 0.00 O ATOM 220 OE2 GLU A 360 -8.686 2.641 0.817 1.00 0.00 O ATOM 0 H GLU A 360 -6.480 5.543 -3.138 1.00 0.00 H new ATOM 0 HA GLU A 360 -4.885 4.277 -1.185 1.00 0.00 H new ATOM 0 HB2 GLU A 360 -7.261 3.567 -2.903 1.00 0.00 H new ATOM 0 HB3 GLU A 360 -6.440 2.269 -2.061 1.00 0.00 H new ATOM 0 HG2 GLU A 360 -6.628 4.316 -0.122 1.00 0.00 H new ATOM 0 HG3 GLU A 360 -8.160 4.402 -0.968 1.00 0.00 H new ATOM 227 N MET A 361 -4.505 3.213 -4.292 1.00 0.00 N ATOM 228 CA MET A 361 -3.621 2.445 -5.161 1.00 0.00 C ATOM 229 C MET A 361 -2.194 2.976 -5.076 1.00 0.00 C ATOM 230 O MET A 361 -1.242 2.207 -4.946 1.00 0.00 O ATOM 231 CB MET A 361 -4.113 2.525 -6.607 1.00 0.00 C ATOM 232 CG MET A 361 -3.332 3.608 -7.353 1.00 0.00 C ATOM 233 SD MET A 361 -3.849 3.639 -9.087 1.00 0.00 S ATOM 234 CE MET A 361 -3.277 1.979 -9.525 1.00 0.00 C ATOM 0 H MET A 361 -5.264 3.694 -4.775 1.00 0.00 H new ATOM 0 HA MET A 361 -3.630 1.406 -4.832 1.00 0.00 H new ATOM 0 HB2 MET A 361 -3.982 1.562 -7.101 1.00 0.00 H new ATOM 0 HB3 MET A 361 -5.179 2.751 -6.628 1.00 0.00 H new ATOM 0 HG2 MET A 361 -3.508 4.580 -6.893 1.00 0.00 H new ATOM 0 HG3 MET A 361 -2.262 3.412 -7.285 1.00 0.00 H new ATOM 0 HE1 MET A 361 -2.832 1.998 -10.520 1.00 0.00 H new ATOM 0 HE2 MET A 361 -2.533 1.648 -8.801 1.00 0.00 H new ATOM 0 HE3 MET A 361 -4.121 1.290 -9.518 1.00 0.00 H new ATOM 244 N GLU A 362 -2.054 4.296 -5.148 1.00 0.00 N ATOM 245 CA GLU A 362 -0.737 4.919 -5.078 1.00 0.00 C ATOM 246 C GLU A 362 -0.146 4.763 -3.680 1.00 0.00 C ATOM 247 O GLU A 362 1.072 4.694 -3.515 1.00 0.00 O ATOM 248 CB GLU A 362 -0.841 6.404 -5.428 1.00 0.00 C ATOM 249 CG GLU A 362 -0.650 6.588 -6.935 1.00 0.00 C ATOM 250 CD GLU A 362 -0.829 8.056 -7.306 1.00 0.00 C ATOM 251 OE1 GLU A 362 -1.219 8.319 -8.432 1.00 0.00 O ATOM 252 OE2 GLU A 362 -0.572 8.897 -6.460 1.00 0.00 O ATOM 0 H GLU A 362 -2.829 4.950 -5.254 1.00 0.00 H new ATOM 0 HA GLU A 362 -0.082 4.424 -5.795 1.00 0.00 H new ATOM 0 HB2 GLU A 362 -1.813 6.793 -5.124 1.00 0.00 H new ATOM 0 HB3 GLU A 362 -0.086 6.971 -4.883 1.00 0.00 H new ATOM 0 HG2 GLU A 362 0.343 6.248 -7.229 1.00 0.00 H new ATOM 0 HG3 GLU A 362 -1.370 5.976 -7.479 1.00 0.00 H new ATOM 259 N LYS A 363 -1.017 4.711 -2.678 1.00 0.00 N ATOM 260 CA LYS A 363 -0.571 4.564 -1.298 1.00 0.00 C ATOM 261 C LYS A 363 0.082 3.202 -1.087 1.00 0.00 C ATOM 262 O LYS A 363 1.180 3.106 -0.539 1.00 0.00 O ATOM 263 CB LYS A 363 -1.759 4.716 -0.347 1.00 0.00 C ATOM 264 CG LYS A 363 -1.439 5.777 0.708 1.00 0.00 C ATOM 265 CD LYS A 363 -1.008 5.093 2.008 1.00 0.00 C ATOM 266 CE LYS A 363 -1.981 5.465 3.127 1.00 0.00 C ATOM 267 NZ LYS A 363 -2.153 4.301 4.042 1.00 0.00 N ATOM 0 H LYS A 363 -2.029 4.768 -2.794 1.00 0.00 H new ATOM 0 HA LYS A 363 0.164 5.342 -1.089 1.00 0.00 H new ATOM 0 HB2 LYS A 363 -2.651 5.001 -0.905 1.00 0.00 H new ATOM 0 HB3 LYS A 363 -1.976 3.763 0.135 1.00 0.00 H new ATOM 0 HG2 LYS A 363 -0.646 6.433 0.350 1.00 0.00 H new ATOM 0 HG3 LYS A 363 -2.314 6.402 0.887 1.00 0.00 H new ATOM 0 HD2 LYS A 363 -0.989 4.012 1.873 1.00 0.00 H new ATOM 0 HD3 LYS A 363 0.004 5.399 2.274 1.00 0.00 H new ATOM 0 HE2 LYS A 363 -1.603 6.324 3.681 1.00 0.00 H new ATOM 0 HE3 LYS A 363 -2.943 5.755 2.705 1.00 0.00 H new ATOM 0 HZ1 LYS A 363 -2.815 4.553 4.804 1.00 0.00 H new ATOM 0 HZ2 LYS A 363 -2.531 3.493 3.508 1.00 0.00 H new ATOM 0 HZ3 LYS A 363 -1.233 4.044 4.454 1.00 0.00 H new ATOM 281 N LYS A 364 -0.603 2.151 -1.526 1.00 0.00 N ATOM 282 CA LYS A 364 -0.081 0.797 -1.380 1.00 0.00 C ATOM 283 C LYS A 364 1.152 0.601 -2.257 1.00 0.00 C ATOM 284 O LYS A 364 2.196 0.152 -1.786 1.00 0.00 O ATOM 285 CB LYS A 364 -1.154 -0.222 -1.769 1.00 0.00 C ATOM 286 CG LYS A 364 -1.669 0.091 -3.175 1.00 0.00 C ATOM 287 CD LYS A 364 -2.878 -0.795 -3.484 1.00 0.00 C ATOM 288 CE LYS A 364 -2.486 -2.266 -3.331 1.00 0.00 C ATOM 289 NZ LYS A 364 -3.212 -2.855 -2.171 1.00 0.00 N ATOM 0 H LYS A 364 -1.513 2.209 -1.982 1.00 0.00 H new ATOM 0 HA LYS A 364 0.201 0.647 -0.338 1.00 0.00 H new ATOM 0 HB2 LYS A 364 -0.741 -1.230 -1.737 1.00 0.00 H new ATOM 0 HB3 LYS A 364 -1.976 -0.191 -1.054 1.00 0.00 H new ATOM 0 HG2 LYS A 364 -1.947 1.142 -3.246 1.00 0.00 H new ATOM 0 HG3 LYS A 364 -0.882 -0.081 -3.909 1.00 0.00 H new ATOM 0 HD2 LYS A 364 -3.700 -0.555 -2.810 1.00 0.00 H new ATOM 0 HD3 LYS A 364 -3.231 -0.605 -4.498 1.00 0.00 H new ATOM 0 HE2 LYS A 364 -2.728 -2.814 -4.241 1.00 0.00 H new ATOM 0 HE3 LYS A 364 -1.410 -2.353 -3.182 1.00 0.00 H new ATOM 0 HZ1 LYS A 364 -2.946 -3.855 -2.066 1.00 0.00 H new ATOM 0 HZ2 LYS A 364 -2.960 -2.337 -1.305 1.00 0.00 H new ATOM 0 HZ3 LYS A 364 -4.237 -2.784 -2.331 1.00 0.00 H new ATOM 303 N ILE A 365 1.022 0.940 -3.536 1.00 0.00 N ATOM 304 CA ILE A 365 2.131 0.797 -4.470 1.00 0.00 C ATOM 305 C ILE A 365 3.342 1.592 -3.992 1.00 0.00 C ATOM 306 O ILE A 365 4.477 1.123 -4.072 1.00 0.00 O ATOM 307 CB ILE A 365 1.712 1.286 -5.856 1.00 0.00 C ATOM 308 CG1 ILE A 365 0.977 0.162 -6.590 1.00 0.00 C ATOM 309 CG2 ILE A 365 2.952 1.691 -6.654 1.00 0.00 C ATOM 310 CD1 ILE A 365 1.386 0.162 -8.064 1.00 0.00 C ATOM 0 H ILE A 365 0.166 1.313 -3.946 1.00 0.00 H new ATOM 0 HA ILE A 365 2.402 -0.257 -4.523 1.00 0.00 H new ATOM 0 HB ILE A 365 1.052 2.147 -5.753 1.00 0.00 H new ATOM 0 HG12 ILE A 365 1.215 -0.800 -6.136 1.00 0.00 H new ATOM 0 HG13 ILE A 365 -0.101 0.299 -6.501 1.00 0.00 H new ATOM 0 HG21 ILE A 365 2.651 2.039 -7.642 1.00 0.00 H new ATOM 0 HG22 ILE A 365 3.476 2.491 -6.131 1.00 0.00 H new ATOM 0 HG23 ILE A 365 3.614 0.832 -6.758 1.00 0.00 H new ATOM 0 HD11 ILE A 365 0.863 -0.639 -8.587 1.00 0.00 H new ATOM 0 HD12 ILE A 365 1.126 1.120 -8.514 1.00 0.00 H new ATOM 0 HD13 ILE A 365 2.462 0.004 -8.143 1.00 0.00 H new ATOM 322 N ARG A 366 3.089 2.798 -3.497 1.00 0.00 N ATOM 323 CA ARG A 366 4.168 3.652 -3.008 1.00 0.00 C ATOM 324 C ARG A 366 4.836 3.026 -1.789 1.00 0.00 C ATOM 325 O ARG A 366 6.063 2.995 -1.688 1.00 0.00 O ATOM 326 CB ARG A 366 3.615 5.031 -2.639 1.00 0.00 C ATOM 327 CG ARG A 366 3.314 5.820 -3.913 1.00 0.00 C ATOM 328 CD ARG A 366 4.458 6.796 -4.193 1.00 0.00 C ATOM 329 NE ARG A 366 5.521 6.129 -4.938 1.00 0.00 N ATOM 330 CZ ARG A 366 6.460 6.827 -5.568 1.00 0.00 C ATOM 331 NH1 ARG A 366 6.442 8.131 -5.527 1.00 0.00 N ATOM 332 NH2 ARG A 366 7.400 6.207 -6.228 1.00 0.00 N ATOM 0 H ARG A 366 2.156 3.205 -3.423 1.00 0.00 H new ATOM 0 HA ARG A 366 4.910 3.758 -3.799 1.00 0.00 H new ATOM 0 HB2 ARG A 366 2.709 4.923 -2.043 1.00 0.00 H new ATOM 0 HB3 ARG A 366 4.337 5.571 -2.026 1.00 0.00 H new ATOM 0 HG2 ARG A 366 3.190 5.138 -4.754 1.00 0.00 H new ATOM 0 HG3 ARG A 366 2.376 6.365 -3.803 1.00 0.00 H new ATOM 0 HD2 ARG A 366 4.087 7.649 -4.761 1.00 0.00 H new ATOM 0 HD3 ARG A 366 4.851 7.185 -3.254 1.00 0.00 H new ATOM 0 HE ARG A 366 5.544 5.110 -4.976 1.00 0.00 H new ATOM 0 HH11 ARG A 366 5.707 8.615 -5.011 1.00 0.00 H new ATOM 0 HH12 ARG A 366 7.163 8.666 -6.011 1.00 0.00 H new ATOM 0 HH21 ARG A 366 7.413 5.188 -6.260 1.00 0.00 H new ATOM 0 HH22 ARG A 366 8.121 6.742 -6.712 1.00 0.00 H new ATOM 346 N ASP A 367 4.021 2.527 -0.867 1.00 0.00 N ATOM 347 CA ASP A 367 4.544 1.901 0.343 1.00 0.00 C ATOM 348 C ASP A 367 5.338 0.648 -0.004 1.00 0.00 C ATOM 349 O ASP A 367 6.437 0.437 0.507 1.00 0.00 O ATOM 350 CB ASP A 367 3.392 1.536 1.281 1.00 0.00 C ATOM 351 CG ASP A 367 3.894 1.463 2.719 1.00 0.00 C ATOM 352 OD1 ASP A 367 3.107 1.112 3.584 1.00 0.00 O ATOM 353 OD2 ASP A 367 5.057 1.760 2.934 1.00 0.00 O ATOM 0 H ASP A 367 3.003 2.543 -0.932 1.00 0.00 H new ATOM 0 HA ASP A 367 5.206 2.610 0.841 1.00 0.00 H new ATOM 0 HB2 ASP A 367 2.598 2.279 1.201 1.00 0.00 H new ATOM 0 HB3 ASP A 367 2.963 0.578 0.988 1.00 0.00 H new ATOM 358 N GLN A 368 4.775 -0.181 -0.878 1.00 0.00 N ATOM 359 CA GLN A 368 5.442 -1.412 -1.286 1.00 0.00 C ATOM 360 C GLN A 368 6.678 -1.098 -2.118 1.00 0.00 C ATOM 361 O GLN A 368 7.632 -1.875 -2.154 1.00 0.00 O ATOM 362 CB GLN A 368 4.482 -2.283 -2.098 1.00 0.00 C ATOM 363 CG GLN A 368 3.577 -3.069 -1.147 1.00 0.00 C ATOM 364 CD GLN A 368 3.322 -4.466 -1.704 1.00 0.00 C ATOM 365 OE1 GLN A 368 4.227 -5.301 -1.724 1.00 0.00 O ATOM 366 NE2 GLN A 368 2.139 -4.770 -2.160 1.00 0.00 N ATOM 0 H GLN A 368 3.866 -0.025 -1.314 1.00 0.00 H new ATOM 0 HA GLN A 368 5.749 -1.952 -0.390 1.00 0.00 H new ATOM 0 HB2 GLN A 368 3.879 -1.660 -2.759 1.00 0.00 H new ATOM 0 HB3 GLN A 368 5.044 -2.969 -2.732 1.00 0.00 H new ATOM 0 HG2 GLN A 368 4.043 -3.140 -0.164 1.00 0.00 H new ATOM 0 HG3 GLN A 368 2.631 -2.543 -1.014 1.00 0.00 H new ATOM 0 HE21 GLN A 368 1.392 -4.076 -2.142 1.00 0.00 H new ATOM 0 HE22 GLN A 368 1.961 -5.702 -2.535 1.00 0.00 H new ATOM 375 N ASP A 369 6.652 0.048 -2.787 1.00 0.00 N ATOM 376 CA ASP A 369 7.774 0.463 -3.618 1.00 0.00 C ATOM 377 C ASP A 369 8.938 0.926 -2.751 1.00 0.00 C ATOM 378 O ASP A 369 10.099 0.648 -3.051 1.00 0.00 O ATOM 379 CB ASP A 369 7.344 1.600 -4.549 1.00 0.00 C ATOM 380 CG ASP A 369 7.221 1.084 -5.979 1.00 0.00 C ATOM 381 OD1 ASP A 369 8.189 0.535 -6.476 1.00 0.00 O ATOM 382 OD2 ASP A 369 6.158 1.249 -6.556 1.00 0.00 O ATOM 0 H ASP A 369 5.870 0.703 -2.771 1.00 0.00 H new ATOM 0 HA ASP A 369 8.096 -0.391 -4.214 1.00 0.00 H new ATOM 0 HB2 ASP A 369 6.390 2.011 -4.218 1.00 0.00 H new ATOM 0 HB3 ASP A 369 8.072 2.410 -4.507 1.00 0.00 H new ATOM 387 N ARG A 370 8.616 1.632 -1.675 1.00 0.00 N ATOM 388 CA ARG A 370 9.639 2.130 -0.763 1.00 0.00 C ATOM 389 C ARG A 370 10.199 0.991 0.083 1.00 0.00 C ATOM 390 O ARG A 370 11.392 0.960 0.388 1.00 0.00 O ATOM 391 CB ARG A 370 9.047 3.205 0.151 1.00 0.00 C ATOM 392 CG ARG A 370 9.471 4.588 -0.346 1.00 0.00 C ATOM 393 CD ARG A 370 10.804 4.976 0.297 1.00 0.00 C ATOM 394 NE ARG A 370 10.870 6.420 0.489 1.00 0.00 N ATOM 395 CZ ARG A 370 12.021 7.024 0.762 1.00 0.00 C ATOM 396 NH1 ARG A 370 13.118 6.324 0.863 1.00 0.00 N ATOM 397 NH2 ARG A 370 12.056 8.319 0.929 1.00 0.00 N ATOM 0 H ARG A 370 7.660 1.872 -1.413 1.00 0.00 H new ATOM 0 HA ARG A 370 10.447 2.562 -1.353 1.00 0.00 H new ATOM 0 HB2 ARG A 370 7.960 3.129 0.163 1.00 0.00 H new ATOM 0 HB3 ARG A 370 9.388 3.055 1.175 1.00 0.00 H new ATOM 0 HG2 ARG A 370 9.567 4.582 -1.432 1.00 0.00 H new ATOM 0 HG3 ARG A 370 8.707 5.325 -0.098 1.00 0.00 H new ATOM 0 HD2 ARG A 370 10.915 4.469 1.256 1.00 0.00 H new ATOM 0 HD3 ARG A 370 11.630 4.648 -0.334 1.00 0.00 H new ATOM 0 HE ARG A 370 10.018 6.976 0.412 1.00 0.00 H new ATOM 0 HH11 ARG A 370 13.092 5.313 0.732 1.00 0.00 H new ATOM 0 HH12 ARG A 370 14.002 6.788 1.073 1.00 0.00 H new ATOM 0 HH21 ARG A 370 11.199 8.867 0.850 1.00 0.00 H new ATOM 0 HH22 ARG A 370 12.940 8.782 1.139 1.00 0.00 H new ATOM 411 N ASN A 371 9.332 0.057 0.456 1.00 0.00 N ATOM 412 CA ASN A 371 9.750 -1.080 1.267 1.00 0.00 C ATOM 413 C ASN A 371 10.623 -2.028 0.448 1.00 0.00 C ATOM 414 O ASN A 371 11.682 -2.459 0.902 1.00 0.00 O ATOM 415 CB ASN A 371 8.522 -1.833 1.783 1.00 0.00 C ATOM 416 CG ASN A 371 8.730 -2.231 3.241 1.00 0.00 C ATOM 417 OD1 ASN A 371 9.219 -3.325 3.524 1.00 0.00 O ATOM 418 ND2 ASN A 371 8.387 -1.402 4.189 1.00 0.00 N ATOM 0 H ASN A 371 8.342 0.064 0.212 1.00 0.00 H new ATOM 0 HA ASN A 371 10.329 -0.707 2.112 1.00 0.00 H new ATOM 0 HB2 ASN A 371 7.635 -1.206 1.691 1.00 0.00 H new ATOM 0 HB3 ASN A 371 8.348 -2.721 1.176 1.00 0.00 H new ATOM 0 HD21 ASN A 371 8.524 -1.660 5.166 1.00 0.00 H new ATOM 0 HD22 ASN A 371 7.982 -0.496 3.953 1.00 0.00 H new ATOM 425 N THR A 372 10.169 -2.347 -0.760 1.00 0.00 N ATOM 426 CA THR A 372 10.918 -3.244 -1.632 1.00 0.00 C ATOM 427 C THR A 372 12.223 -2.593 -2.077 1.00 0.00 C ATOM 428 O THR A 372 13.284 -3.214 -2.036 1.00 0.00 O ATOM 429 CB THR A 372 10.078 -3.600 -2.861 1.00 0.00 C ATOM 430 OG1 THR A 372 9.671 -4.958 -2.776 1.00 0.00 O ATOM 431 CG2 THR A 372 10.909 -3.392 -4.128 1.00 0.00 C ATOM 0 H THR A 372 9.294 -2.001 -1.154 1.00 0.00 H new ATOM 0 HA THR A 372 11.150 -4.152 -1.075 1.00 0.00 H new ATOM 0 HB THR A 372 9.198 -2.958 -2.899 1.00 0.00 H new ATOM 0 HG1 THR A 372 9.131 -5.188 -3.561 1.00 0.00 H new ATOM 0 HG21 THR A 372 10.309 -3.646 -5.002 1.00 0.00 H new ATOM 0 HG22 THR A 372 11.220 -2.349 -4.192 1.00 0.00 H new ATOM 0 HG23 THR A 372 11.790 -4.032 -4.094 1.00 0.00 H new ATOM 439 N ARG A 373 12.137 -1.336 -2.504 1.00 0.00 N ATOM 440 CA ARG A 373 13.317 -0.610 -2.956 1.00 0.00 C ATOM 441 C ARG A 373 14.337 -0.492 -1.827 1.00 0.00 C ATOM 442 O ARG A 373 15.529 -0.722 -2.027 1.00 0.00 O ATOM 443 CB ARG A 373 12.920 0.786 -3.436 1.00 0.00 C ATOM 444 CG ARG A 373 12.523 0.725 -4.912 1.00 0.00 C ATOM 445 CD ARG A 373 13.424 1.658 -5.723 1.00 0.00 C ATOM 446 NE ARG A 373 12.617 2.582 -6.511 1.00 0.00 N ATOM 447 CZ ARG A 373 12.112 3.687 -5.969 1.00 0.00 C ATOM 448 NH1 ARG A 373 12.336 3.958 -4.713 1.00 0.00 N ATOM 449 NH2 ARG A 373 11.393 4.498 -6.694 1.00 0.00 N ATOM 0 H ARG A 373 11.268 -0.803 -2.546 1.00 0.00 H new ATOM 0 HA ARG A 373 13.767 -1.162 -3.781 1.00 0.00 H new ATOM 0 HB2 ARG A 373 12.089 1.164 -2.840 1.00 0.00 H new ATOM 0 HB3 ARG A 373 13.751 1.479 -3.300 1.00 0.00 H new ATOM 0 HG2 ARG A 373 12.613 -0.296 -5.282 1.00 0.00 H new ATOM 0 HG3 ARG A 373 11.479 1.016 -5.031 1.00 0.00 H new ATOM 0 HD2 ARG A 373 14.078 2.216 -5.053 1.00 0.00 H new ATOM 0 HD3 ARG A 373 14.066 1.073 -6.381 1.00 0.00 H new ATOM 0 HE ARG A 373 12.437 2.378 -7.494 1.00 0.00 H new ATOM 0 HH11 ARG A 373 12.898 3.323 -4.147 1.00 0.00 H new ATOM 0 HH12 ARG A 373 11.949 4.805 -4.297 1.00 0.00 H new ATOM 0 HH21 ARG A 373 11.218 4.285 -7.676 1.00 0.00 H new ATOM 0 HH22 ARG A 373 11.005 5.345 -6.279 1.00 0.00 H new ATOM 463 N ARG A 374 13.859 -0.131 -0.641 1.00 0.00 N ATOM 464 CA ARG A 374 14.738 0.017 0.514 1.00 0.00 C ATOM 465 C ARG A 374 15.389 -1.319 0.865 1.00 0.00 C ATOM 466 O ARG A 374 16.588 -1.384 1.133 1.00 0.00 O ATOM 467 CB ARG A 374 13.942 0.530 1.714 1.00 0.00 C ATOM 468 CG ARG A 374 14.074 2.053 1.801 1.00 0.00 C ATOM 469 CD ARG A 374 15.084 2.417 2.891 1.00 0.00 C ATOM 470 NE ARG A 374 14.935 3.818 3.267 1.00 0.00 N ATOM 471 CZ ARG A 374 15.283 4.794 2.436 1.00 0.00 C ATOM 472 NH1 ARG A 374 15.768 4.506 1.257 1.00 0.00 N ATOM 473 NH2 ARG A 374 15.142 6.041 2.794 1.00 0.00 N ATOM 0 H ARG A 374 12.875 0.063 -0.454 1.00 0.00 H new ATOM 0 HA ARG A 374 15.519 0.735 0.264 1.00 0.00 H new ATOM 0 HB2 ARG A 374 12.893 0.250 1.615 1.00 0.00 H new ATOM 0 HB3 ARG A 374 14.309 0.069 2.631 1.00 0.00 H new ATOM 0 HG2 ARG A 374 14.398 2.456 0.841 1.00 0.00 H new ATOM 0 HG3 ARG A 374 13.105 2.500 2.024 1.00 0.00 H new ATOM 0 HD2 ARG A 374 14.934 1.781 3.763 1.00 0.00 H new ATOM 0 HD3 ARG A 374 16.097 2.234 2.534 1.00 0.00 H new ATOM 0 HE ARG A 374 14.557 4.053 4.185 1.00 0.00 H new ATOM 0 HH11 ARG A 374 15.879 3.532 0.975 1.00 0.00 H new ATOM 0 HH12 ARG A 374 16.035 5.255 0.619 1.00 0.00 H new ATOM 0 HH21 ARG A 374 14.764 6.268 3.714 1.00 0.00 H new ATOM 0 HH22 ARG A 374 15.410 6.789 2.154 1.00 0.00 H new ATOM 487 N MET A 375 14.588 -2.378 0.861 1.00 0.00 N ATOM 488 CA MET A 375 15.096 -3.708 1.182 1.00 0.00 C ATOM 489 C MET A 375 15.891 -4.273 0.011 1.00 0.00 C ATOM 490 O MET A 375 16.708 -5.179 0.180 1.00 0.00 O ATOM 491 CB MET A 375 13.936 -4.647 1.515 1.00 0.00 C ATOM 492 CG MET A 375 13.554 -4.486 2.987 1.00 0.00 C ATOM 493 SD MET A 375 12.970 -6.071 3.637 1.00 0.00 S ATOM 494 CE MET A 375 11.656 -5.414 4.692 1.00 0.00 C ATOM 0 H MET A 375 13.593 -2.344 0.641 1.00 0.00 H new ATOM 0 HA MET A 375 15.753 -3.625 2.048 1.00 0.00 H new ATOM 0 HB2 MET A 375 13.079 -4.423 0.880 1.00 0.00 H new ATOM 0 HB3 MET A 375 14.221 -5.680 1.313 1.00 0.00 H new ATOM 0 HG2 MET A 375 14.414 -4.140 3.561 1.00 0.00 H new ATOM 0 HG3 MET A 375 12.776 -3.730 3.091 1.00 0.00 H new ATOM 0 HE1 MET A 375 11.492 -6.089 5.532 1.00 0.00 H new ATOM 0 HE2 MET A 375 11.947 -4.433 5.067 1.00 0.00 H new ATOM 0 HE3 MET A 375 10.736 -5.324 4.114 1.00 0.00 H new