USER MOD reduce.3.24.130724 H: found=0, std=0, add=152, rem=0, adj=5 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 161:sc= -0.756 (180deg=-2.4!) USER MOD Single : A 363 LYS NZ :NH3+ -135:sc= -0.0687 (180deg=-3.04!) USER MOD Single : A 364 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.00546) USER MOD Single : A 368 GLN :FLIP amide:sc= 0 F(o=-1.3!,f=0) USER MOD Single : A 371 ASN : amide:sc= -2.83! C(o=-2.8!,f=-6.5!) 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 -5.669 7.198 -4.753 1.00 0.00 N ATOM 203 CA ALA A 359 -4.967 7.414 -3.494 1.00 0.00 C ATOM 204 C ALA A 359 -4.572 6.083 -2.863 1.00 0.00 C ATOM 205 O ALA A 359 -3.427 5.893 -2.455 1.00 0.00 O ATOM 206 CB ALA A 359 -5.858 8.194 -2.525 1.00 0.00 C ATOM 0 HA ALA A 359 -4.063 7.988 -3.700 1.00 0.00 H new ATOM 0 HB1 ALA A 359 -5.325 8.351 -1.587 1.00 0.00 H new ATOM 0 HB2 ALA A 359 -6.114 9.159 -2.963 1.00 0.00 H new ATOM 0 HB3 ALA A 359 -6.770 7.629 -2.334 1.00 0.00 H new ATOM 212 N GLU A 360 -5.529 5.163 -2.788 1.00 0.00 N ATOM 213 CA GLU A 360 -5.271 3.853 -2.206 1.00 0.00 C ATOM 214 C GLU A 360 -4.254 3.084 -3.042 1.00 0.00 C ATOM 215 O GLU A 360 -3.314 2.496 -2.508 1.00 0.00 O ATOM 216 CB GLU A 360 -6.570 3.058 -2.122 1.00 0.00 C ATOM 217 CG GLU A 360 -7.288 3.391 -0.813 1.00 0.00 C ATOM 218 CD GLU A 360 -7.745 2.107 -0.128 1.00 0.00 C ATOM 219 OE1 GLU A 360 -8.939 1.957 0.072 1.00 0.00 O ATOM 220 OE2 GLU A 360 -6.892 1.292 0.188 1.00 0.00 O ATOM 0 H GLU A 360 -6.483 5.300 -3.121 1.00 0.00 H new ATOM 0 HA GLU A 360 -4.865 3.995 -1.204 1.00 0.00 H new ATOM 0 HB2 GLU A 360 -7.210 3.296 -2.971 1.00 0.00 H new ATOM 0 HB3 GLU A 360 -6.359 1.990 -2.172 1.00 0.00 H new ATOM 0 HG2 GLU A 360 -6.621 3.947 -0.154 1.00 0.00 H new ATOM 0 HG3 GLU A 360 -8.147 4.032 -1.012 1.00 0.00 H new ATOM 227 N MET A 361 -4.448 3.096 -4.358 1.00 0.00 N ATOM 228 CA MET A 361 -3.539 2.397 -5.259 1.00 0.00 C ATOM 229 C MET A 361 -2.127 2.958 -5.137 1.00 0.00 C ATOM 230 O MET A 361 -1.154 2.206 -5.062 1.00 0.00 O ATOM 231 CB MET A 361 -4.023 2.542 -6.704 1.00 0.00 C ATOM 232 CG MET A 361 -3.359 3.759 -7.347 1.00 0.00 C ATOM 233 SD MET A 361 -3.837 3.858 -9.089 1.00 0.00 S ATOM 234 CE MET A 361 -5.578 3.418 -8.873 1.00 0.00 C ATOM 0 H MET A 361 -5.219 3.578 -4.820 1.00 0.00 H new ATOM 0 HA MET A 361 -3.524 1.342 -4.984 1.00 0.00 H new ATOM 0 HB2 MET A 361 -3.783 1.642 -7.271 1.00 0.00 H new ATOM 0 HB3 MET A 361 -5.107 2.653 -6.726 1.00 0.00 H new ATOM 0 HG2 MET A 361 -3.658 4.668 -6.825 1.00 0.00 H new ATOM 0 HG3 MET A 361 -2.275 3.683 -7.260 1.00 0.00 H new ATOM 0 HE1 MET A 361 -6.145 3.736 -9.748 1.00 0.00 H new ATOM 0 HE2 MET A 361 -5.668 2.338 -8.755 1.00 0.00 H new ATOM 0 HE3 MET A 361 -5.971 3.914 -7.986 1.00 0.00 H new ATOM 244 N GLU A 362 -2.021 4.282 -5.114 1.00 0.00 N ATOM 245 CA GLU A 362 -0.723 4.933 -4.998 1.00 0.00 C ATOM 246 C GLU A 362 -0.154 4.748 -3.595 1.00 0.00 C ATOM 247 O GLU A 362 1.061 4.702 -3.408 1.00 0.00 O ATOM 248 CB GLU A 362 -0.857 6.427 -5.302 1.00 0.00 C ATOM 249 CG GLU A 362 -0.906 6.637 -6.817 1.00 0.00 C ATOM 250 CD GLU A 362 0.360 6.083 -7.462 1.00 0.00 C ATOM 251 OE1 GLU A 362 1.379 6.748 -7.386 1.00 0.00 O ATOM 252 OE2 GLU A 362 0.291 5.001 -8.023 1.00 0.00 O ATOM 0 H GLU A 362 -2.813 4.921 -5.174 1.00 0.00 H new ATOM 0 HA GLU A 362 -0.044 4.475 -5.717 1.00 0.00 H new ATOM 0 HB2 GLU A 362 -1.761 6.823 -4.840 1.00 0.00 H new ATOM 0 HB3 GLU A 362 -0.015 6.973 -4.876 1.00 0.00 H new ATOM 0 HG2 GLU A 362 -1.783 6.141 -7.233 1.00 0.00 H new ATOM 0 HG3 GLU A 362 -1.004 7.699 -7.042 1.00 0.00 H new ATOM 259 N LYS A 363 -1.043 4.642 -2.612 1.00 0.00 N ATOM 260 CA LYS A 363 -0.620 4.460 -1.229 1.00 0.00 C ATOM 261 C LYS A 363 0.089 3.120 -1.057 1.00 0.00 C ATOM 262 O LYS A 363 1.179 3.051 -0.489 1.00 0.00 O ATOM 263 CB LYS A 363 -1.834 4.520 -0.299 1.00 0.00 C ATOM 264 CG LYS A 363 -1.584 5.552 0.801 1.00 0.00 C ATOM 265 CD LYS A 363 -1.488 4.843 2.154 1.00 0.00 C ATOM 266 CE LYS A 363 -0.025 4.506 2.452 1.00 0.00 C ATOM 267 NZ LYS A 363 0.250 3.096 2.055 1.00 0.00 N ATOM 0 H LYS A 363 -2.053 4.679 -2.746 1.00 0.00 H new ATOM 0 HA LYS A 363 0.074 5.261 -0.973 1.00 0.00 H new ATOM 0 HB2 LYS A 363 -2.726 4.786 -0.866 1.00 0.00 H new ATOM 0 HB3 LYS A 363 -2.016 3.540 0.142 1.00 0.00 H new ATOM 0 HG2 LYS A 363 -0.663 6.099 0.599 1.00 0.00 H new ATOM 0 HG3 LYS A 363 -2.392 6.284 0.818 1.00 0.00 H new ATOM 0 HD2 LYS A 363 -1.893 5.481 2.940 1.00 0.00 H new ATOM 0 HD3 LYS A 363 -2.087 3.932 2.142 1.00 0.00 H new ATOM 0 HE2 LYS A 363 0.634 5.183 1.908 1.00 0.00 H new ATOM 0 HE3 LYS A 363 0.182 4.643 3.513 1.00 0.00 H new ATOM 0 HZ1 LYS A 363 0.793 2.624 2.806 1.00 0.00 H new ATOM 0 HZ2 LYS A 363 -0.649 2.594 1.910 1.00 0.00 H new ATOM 0 HZ3 LYS A 363 0.799 3.085 1.172 1.00 0.00 H new ATOM 281 N LYS A 364 -0.539 2.057 -1.551 1.00 0.00 N ATOM 282 CA LYS A 364 0.041 0.724 -1.446 1.00 0.00 C ATOM 283 C LYS A 364 1.257 0.596 -2.357 1.00 0.00 C ATOM 284 O LYS A 364 2.320 0.144 -1.929 1.00 0.00 O ATOM 285 CB LYS A 364 -0.999 -0.330 -1.830 1.00 0.00 C ATOM 286 CG LYS A 364 -1.651 0.055 -3.160 1.00 0.00 C ATOM 287 CD LYS A 364 -1.044 -0.784 -4.287 1.00 0.00 C ATOM 288 CE LYS A 364 -2.143 -1.180 -5.277 1.00 0.00 C ATOM 289 NZ LYS A 364 -2.924 -2.321 -4.720 1.00 0.00 N ATOM 0 H LYS A 364 -1.442 2.092 -2.024 1.00 0.00 H new ATOM 0 HA LYS A 364 0.355 0.565 -0.414 1.00 0.00 H new ATOM 0 HB2 LYS A 364 -0.526 -1.308 -1.915 1.00 0.00 H new ATOM 0 HB3 LYS A 364 -1.757 -0.409 -1.051 1.00 0.00 H new ATOM 0 HG2 LYS A 364 -2.728 -0.108 -3.110 1.00 0.00 H new ATOM 0 HG3 LYS A 364 -1.498 1.116 -3.359 1.00 0.00 H new ATOM 0 HD2 LYS A 364 -0.266 -0.217 -4.798 1.00 0.00 H new ATOM 0 HD3 LYS A 364 -0.571 -1.676 -3.876 1.00 0.00 H new ATOM 0 HE2 LYS A 364 -2.801 -0.332 -5.465 1.00 0.00 H new ATOM 0 HE3 LYS A 364 -1.702 -1.459 -6.234 1.00 0.00 H new ATOM 0 HZ1 LYS A 364 -3.615 -2.646 -5.426 1.00 0.00 H new ATOM 0 HZ2 LYS A 364 -2.278 -3.101 -4.483 1.00 0.00 H new ATOM 0 HZ3 LYS A 364 -3.424 -2.013 -3.862 1.00 0.00 H new ATOM 303 N ILE A 365 1.094 0.993 -3.614 1.00 0.00 N ATOM 304 CA ILE A 365 2.185 0.918 -4.577 1.00 0.00 C ATOM 305 C ILE A 365 3.390 1.712 -4.086 1.00 0.00 C ATOM 306 O ILE A 365 4.525 1.240 -4.146 1.00 0.00 O ATOM 307 CB ILE A 365 1.726 1.465 -5.928 1.00 0.00 C ATOM 308 CG1 ILE A 365 0.998 0.364 -6.702 1.00 0.00 C ATOM 309 CG2 ILE A 365 2.942 1.934 -6.730 1.00 0.00 C ATOM 310 CD1 ILE A 365 1.375 0.444 -8.183 1.00 0.00 C ATOM 0 H ILE A 365 0.222 1.368 -3.988 1.00 0.00 H new ATOM 0 HA ILE A 365 2.475 -0.127 -4.688 1.00 0.00 H new ATOM 0 HB ILE A 365 1.051 2.306 -5.769 1.00 0.00 H new ATOM 0 HG12 ILE A 365 1.264 -0.614 -6.301 1.00 0.00 H new ATOM 0 HG13 ILE A 365 -0.080 0.474 -6.584 1.00 0.00 H new ATOM 0 HG21 ILE A 365 2.614 2.324 -7.694 1.00 0.00 H new ATOM 0 HG22 ILE A 365 3.461 2.718 -6.179 1.00 0.00 H new ATOM 0 HG23 ILE A 365 3.618 1.094 -6.890 1.00 0.00 H new ATOM 0 HD11 ILE A 365 0.856 -0.341 -8.733 1.00 0.00 H new ATOM 0 HD12 ILE A 365 1.086 1.417 -8.580 1.00 0.00 H new ATOM 0 HD13 ILE A 365 2.452 0.312 -8.292 1.00 0.00 H new ATOM 322 N ARG A 366 3.135 2.923 -3.601 1.00 0.00 N ATOM 323 CA ARG A 366 4.207 3.776 -3.101 1.00 0.00 C ATOM 324 C ARG A 366 4.863 3.150 -1.877 1.00 0.00 C ATOM 325 O ARG A 366 6.088 3.089 -1.778 1.00 0.00 O ATOM 326 CB ARG A 366 3.650 5.154 -2.736 1.00 0.00 C ATOM 327 CG ARG A 366 3.439 5.974 -4.011 1.00 0.00 C ATOM 328 CD ARG A 366 4.044 7.366 -3.828 1.00 0.00 C ATOM 329 NE ARG A 366 3.778 7.860 -2.482 1.00 0.00 N ATOM 330 CZ ARG A 366 3.705 9.163 -2.230 1.00 0.00 C ATOM 331 NH1 ARG A 366 3.873 10.024 -3.196 1.00 0.00 N ATOM 332 NH2 ARG A 366 3.465 9.581 -1.018 1.00 0.00 N ATOM 0 H ARG A 366 2.203 3.333 -3.544 1.00 0.00 H new ATOM 0 HA ARG A 366 4.957 3.883 -3.885 1.00 0.00 H new ATOM 0 HB2 ARG A 366 2.707 5.046 -2.200 1.00 0.00 H new ATOM 0 HB3 ARG A 366 4.339 5.671 -2.068 1.00 0.00 H new ATOM 0 HG2 ARG A 366 3.904 5.472 -4.860 1.00 0.00 H new ATOM 0 HG3 ARG A 366 2.375 6.055 -4.232 1.00 0.00 H new ATOM 0 HD2 ARG A 366 5.119 7.329 -4.003 1.00 0.00 H new ATOM 0 HD3 ARG A 366 3.625 8.052 -4.564 1.00 0.00 H new ATOM 0 HE ARG A 366 3.646 7.194 -1.721 1.00 0.00 H new ATOM 0 HH11 ARG A 366 4.060 9.697 -4.144 1.00 0.00 H new ATOM 0 HH12 ARG A 366 3.817 11.024 -3.003 1.00 0.00 H new ATOM 0 HH21 ARG A 366 3.333 8.908 -0.263 1.00 0.00 H new ATOM 0 HH22 ARG A 366 3.409 10.581 -0.825 1.00 0.00 H new ATOM 346 N ASP A 367 4.040 2.685 -0.945 1.00 0.00 N ATOM 347 CA ASP A 367 4.550 2.064 0.273 1.00 0.00 C ATOM 348 C ASP A 367 5.341 0.803 -0.061 1.00 0.00 C ATOM 349 O ASP A 367 6.434 0.588 0.460 1.00 0.00 O ATOM 350 CB ASP A 367 3.390 1.710 1.205 1.00 0.00 C ATOM 351 CG ASP A 367 3.849 1.779 2.657 1.00 0.00 C ATOM 352 OD1 ASP A 367 4.064 0.731 3.241 1.00 0.00 O ATOM 353 OD2 ASP A 367 3.978 2.882 3.165 1.00 0.00 O ATOM 0 H ASP A 367 3.023 2.725 -1.007 1.00 0.00 H new ATOM 0 HA ASP A 367 5.211 2.773 0.771 1.00 0.00 H new ATOM 0 HB2 ASP A 367 2.560 2.398 1.044 1.00 0.00 H new ATOM 0 HB3 ASP A 367 3.023 0.709 0.978 1.00 0.00 H new ATOM 358 N GLN A 368 4.780 -0.028 -0.934 1.00 0.00 N ATOM 359 CA GLN A 368 5.441 -1.265 -1.330 1.00 0.00 C ATOM 360 C GLN A 368 6.689 -0.964 -2.153 1.00 0.00 C ATOM 361 O GLN A 368 7.637 -1.749 -2.174 1.00 0.00 O ATOM 362 CB GLN A 368 4.484 -2.134 -2.147 1.00 0.00 C ATOM 363 CG GLN A 368 5.027 -2.299 -3.567 1.00 0.00 C ATOM 364 CD GLN A 368 4.176 -3.304 -4.337 1.00 0.00 C ATOM 365 OE1 GLN A 368 3.140 -3.846 -3.757 1.00 0.00 O flip ATOM 366 NE2 GLN A 368 4.463 -3.603 -5.496 1.00 0.00 N flip ATOM 0 H GLN A 368 3.876 0.132 -1.378 1.00 0.00 H new ATOM 0 HA GLN A 368 5.734 -1.802 -0.428 1.00 0.00 H new ATOM 0 HB2 GLN A 368 4.370 -3.110 -1.675 1.00 0.00 H new ATOM 0 HB3 GLN A 368 3.495 -1.676 -2.176 1.00 0.00 H new ATOM 0 HG2 GLN A 368 5.023 -1.338 -4.081 1.00 0.00 H new ATOM 0 HG3 GLN A 368 6.062 -2.638 -3.532 1.00 0.00 H new ATOM 0 HE21 GLN A 368 5.273 -3.178 -5.947 1.00 0.00 H new ATOM 0 HE22 GLN A 368 3.891 -4.276 -6.006 1.00 0.00 H new ATOM 375 N ASP A 369 6.677 0.179 -2.826 1.00 0.00 N ATOM 376 CA ASP A 369 7.813 0.582 -3.648 1.00 0.00 C ATOM 377 C ASP A 369 8.974 1.031 -2.771 1.00 0.00 C ATOM 378 O ASP A 369 10.135 0.737 -3.059 1.00 0.00 O ATOM 379 CB ASP A 369 7.402 1.723 -4.582 1.00 0.00 C ATOM 380 CG ASP A 369 8.353 1.792 -5.772 1.00 0.00 C ATOM 381 OD1 ASP A 369 9.082 0.836 -5.979 1.00 0.00 O ATOM 382 OD2 ASP A 369 8.339 2.800 -6.458 1.00 0.00 O ATOM 0 H ASP A 369 5.900 0.840 -2.820 1.00 0.00 H new ATOM 0 HA ASP A 369 8.132 -0.275 -4.241 1.00 0.00 H new ATOM 0 HB2 ASP A 369 6.381 1.568 -4.931 1.00 0.00 H new ATOM 0 HB3 ASP A 369 7.414 2.669 -4.041 1.00 0.00 H new ATOM 387 N ARG A 370 8.652 1.741 -1.699 1.00 0.00 N ATOM 388 CA ARG A 370 9.673 2.228 -0.779 1.00 0.00 C ATOM 389 C ARG A 370 10.211 1.083 0.074 1.00 0.00 C ATOM 390 O ARG A 370 11.400 1.035 0.387 1.00 0.00 O ATOM 391 CB ARG A 370 9.087 3.313 0.127 1.00 0.00 C ATOM 392 CG ARG A 370 9.183 4.668 -0.572 1.00 0.00 C ATOM 393 CD ARG A 370 9.921 5.658 0.332 1.00 0.00 C ATOM 394 NE ARG A 370 11.360 5.426 0.267 1.00 0.00 N ATOM 395 CZ ARG A 370 12.226 6.391 0.553 1.00 0.00 C ATOM 396 NH1 ARG A 370 11.795 7.572 0.899 1.00 0.00 N ATOM 397 NH2 ARG A 370 13.509 6.158 0.488 1.00 0.00 N ATOM 0 H ARG A 370 7.697 1.992 -1.445 1.00 0.00 H new ATOM 0 HA ARG A 370 10.492 2.649 -1.362 1.00 0.00 H new ATOM 0 HB2 ARG A 370 8.047 3.085 0.359 1.00 0.00 H new ATOM 0 HB3 ARG A 370 9.626 3.341 1.074 1.00 0.00 H new ATOM 0 HG2 ARG A 370 9.710 4.563 -1.521 1.00 0.00 H new ATOM 0 HG3 ARG A 370 8.185 5.042 -0.801 1.00 0.00 H new ATOM 0 HD2 ARG A 370 9.696 6.679 0.025 1.00 0.00 H new ATOM 0 HD3 ARG A 370 9.574 5.551 1.360 1.00 0.00 H new ATOM 0 HE ARG A 370 11.707 4.506 -0.003 1.00 0.00 H new ATOM 0 HH11 ARG A 370 10.793 7.754 0.950 1.00 0.00 H new ATOM 0 HH12 ARG A 370 12.460 8.313 1.119 1.00 0.00 H new ATOM 0 HH21 ARG A 370 13.847 5.234 0.217 1.00 0.00 H new ATOM 0 HH22 ARG A 370 14.174 6.900 0.708 1.00 0.00 H new ATOM 411 N ASN A 371 9.325 0.164 0.446 1.00 0.00 N ATOM 412 CA ASN A 371 9.721 -0.977 1.265 1.00 0.00 C ATOM 413 C ASN A 371 10.589 -1.938 0.458 1.00 0.00 C ATOM 414 O ASN A 371 11.628 -2.397 0.932 1.00 0.00 O ATOM 415 CB ASN A 371 8.478 -1.710 1.771 1.00 0.00 C ATOM 416 CG ASN A 371 8.889 -2.961 2.541 1.00 0.00 C ATOM 417 OD1 ASN A 371 10.014 -3.438 2.398 1.00 0.00 O ATOM 418 ND2 ASN A 371 8.037 -3.524 3.355 1.00 0.00 N ATOM 0 H ASN A 371 8.336 0.186 0.196 1.00 0.00 H new ATOM 0 HA ASN A 371 10.298 -0.611 2.114 1.00 0.00 H new ATOM 0 HB2 ASN A 371 7.894 -1.052 2.415 1.00 0.00 H new ATOM 0 HB3 ASN A 371 7.839 -1.983 0.931 1.00 0.00 H new ATOM 0 HD21 ASN A 371 8.304 -4.361 3.874 1.00 0.00 H new ATOM 0 HD22 ASN A 371 7.105 -3.127 3.472 1.00 0.00 H new ATOM 425 N THR A 372 10.156 -2.237 -0.762 1.00 0.00 N ATOM 426 CA THR A 372 10.901 -3.145 -1.625 1.00 0.00 C ATOM 427 C THR A 372 12.221 -2.513 -2.054 1.00 0.00 C ATOM 428 O THR A 372 13.272 -3.152 -2.006 1.00 0.00 O ATOM 429 CB THR A 372 10.071 -3.491 -2.863 1.00 0.00 C ATOM 430 OG1 THR A 372 9.641 -4.842 -2.781 1.00 0.00 O ATOM 431 CG2 THR A 372 10.922 -3.299 -4.120 1.00 0.00 C ATOM 0 H THR A 372 9.299 -1.867 -1.173 1.00 0.00 H new ATOM 0 HA THR A 372 11.112 -4.056 -1.065 1.00 0.00 H new ATOM 0 HB THR A 372 9.201 -2.836 -2.912 1.00 0.00 H new ATOM 0 HG1 THR A 372 9.108 -5.064 -3.573 1.00 0.00 H new ATOM 0 HG21 THR A 372 10.330 -3.546 -5.001 1.00 0.00 H new ATOM 0 HG22 THR A 372 11.250 -2.261 -4.182 1.00 0.00 H new ATOM 0 HG23 THR A 372 11.793 -3.953 -4.073 1.00 0.00 H new ATOM 439 N ARG A 373 12.158 -1.254 -2.476 1.00 0.00 N ATOM 440 CA ARG A 373 13.356 -0.545 -2.913 1.00 0.00 C ATOM 441 C ARG A 373 14.368 -0.451 -1.776 1.00 0.00 C ATOM 442 O ARG A 373 15.556 -0.710 -1.968 1.00 0.00 O ATOM 443 CB ARG A 373 12.986 0.863 -3.385 1.00 0.00 C ATOM 444 CG ARG A 373 12.664 0.833 -4.880 1.00 0.00 C ATOM 445 CD ARG A 373 13.937 1.104 -5.683 1.00 0.00 C ATOM 446 NE ARG A 373 14.605 2.299 -5.180 1.00 0.00 N ATOM 447 CZ ARG A 373 14.241 3.512 -5.582 1.00 0.00 C ATOM 448 NH1 ARG A 373 13.267 3.649 -6.441 1.00 0.00 N ATOM 449 NH2 ARG A 373 14.854 4.565 -5.116 1.00 0.00 N ATOM 0 H ARG A 373 11.298 -0.707 -2.525 1.00 0.00 H new ATOM 0 HA ARG A 373 13.803 -1.100 -3.738 1.00 0.00 H new ATOM 0 HB2 ARG A 373 12.127 1.232 -2.825 1.00 0.00 H new ATOM 0 HB3 ARG A 373 13.810 1.550 -3.194 1.00 0.00 H new ATOM 0 HG2 ARG A 373 12.249 -0.137 -5.154 1.00 0.00 H new ATOM 0 HG3 ARG A 373 11.907 1.582 -5.115 1.00 0.00 H new ATOM 0 HD2 ARG A 373 14.608 0.248 -5.615 1.00 0.00 H new ATOM 0 HD3 ARG A 373 13.690 1.233 -6.737 1.00 0.00 H new ATOM 0 HE ARG A 373 15.366 2.202 -4.507 1.00 0.00 H new ATOM 0 HH11 ARG A 373 12.786 2.825 -6.803 1.00 0.00 H new ATOM 0 HH12 ARG A 373 12.987 4.580 -6.750 1.00 0.00 H new ATOM 0 HH21 ARG A 373 15.613 4.457 -4.443 1.00 0.00 H new ATOM 0 HH22 ARG A 373 14.574 5.496 -5.425 1.00 0.00 H new ATOM 463 N ARG A 374 13.889 -0.083 -0.593 1.00 0.00 N ATOM 464 CA ARG A 374 14.763 0.040 0.570 1.00 0.00 C ATOM 465 C ARG A 374 15.385 -1.309 0.916 1.00 0.00 C ATOM 466 O ARG A 374 16.591 -1.407 1.141 1.00 0.00 O ATOM 467 CB ARG A 374 13.967 0.560 1.769 1.00 0.00 C ATOM 468 CG ARG A 374 14.203 2.064 1.923 1.00 0.00 C ATOM 469 CD ARG A 374 15.189 2.312 3.067 1.00 0.00 C ATOM 470 NE ARG A 374 14.968 3.633 3.645 1.00 0.00 N ATOM 471 CZ ARG A 374 15.745 4.095 4.618 1.00 0.00 C ATOM 472 NH1 ARG A 374 16.724 3.362 5.075 1.00 0.00 N ATOM 473 NH2 ARG A 374 15.529 5.280 5.119 1.00 0.00 N ATOM 0 H ARG A 374 12.909 0.134 -0.413 1.00 0.00 H new ATOM 0 HA ARG A 374 15.560 0.744 0.330 1.00 0.00 H new ATOM 0 HB2 ARG A 374 12.905 0.360 1.628 1.00 0.00 H new ATOM 0 HB3 ARG A 374 14.272 0.038 2.676 1.00 0.00 H new ATOM 0 HG2 ARG A 374 14.596 2.478 0.994 1.00 0.00 H new ATOM 0 HG3 ARG A 374 13.260 2.572 2.125 1.00 0.00 H new ATOM 0 HD2 ARG A 374 15.068 1.547 3.834 1.00 0.00 H new ATOM 0 HD3 ARG A 374 16.212 2.235 2.698 1.00 0.00 H new ATOM 0 HE ARG A 374 14.204 4.212 3.296 1.00 0.00 H new ATOM 0 HH11 ARG A 374 16.892 2.435 4.685 1.00 0.00 H new ATOM 0 HH12 ARG A 374 17.321 3.717 5.822 1.00 0.00 H new ATOM 0 HH21 ARG A 374 14.763 5.852 4.763 1.00 0.00 H new ATOM 0 HH22 ARG A 374 16.126 5.634 5.866 1.00 0.00 H new ATOM 487 N MET A 375 14.555 -2.345 0.956 1.00 0.00 N ATOM 488 CA MET A 375 15.035 -3.685 1.278 1.00 0.00 C ATOM 489 C MET A 375 15.757 -4.294 0.082 1.00 0.00 C ATOM 490 O MET A 375 16.551 -5.223 0.231 1.00 0.00 O ATOM 491 CB MET A 375 13.861 -4.579 1.680 1.00 0.00 C ATOM 492 CG MET A 375 13.728 -4.592 3.204 1.00 0.00 C ATOM 493 SD MET A 375 12.546 -5.873 3.695 1.00 0.00 S ATOM 494 CE MET A 375 13.758 -7.101 4.243 1.00 0.00 C ATOM 0 H MET A 375 13.554 -2.285 0.771 1.00 0.00 H new ATOM 0 HA MET A 375 15.734 -3.611 2.111 1.00 0.00 H new ATOM 0 HB2 MET A 375 12.940 -4.213 1.227 1.00 0.00 H new ATOM 0 HB3 MET A 375 14.018 -5.592 1.309 1.00 0.00 H new ATOM 0 HG2 MET A 375 14.698 -4.782 3.663 1.00 0.00 H new ATOM 0 HG3 MET A 375 13.393 -3.617 3.559 1.00 0.00 H new ATOM 0 HE1 MET A 375 13.239 -7.993 4.595 1.00 0.00 H new ATOM 0 HE2 MET A 375 14.410 -7.365 3.410 1.00 0.00 H new ATOM 0 HE3 MET A 375 14.356 -6.685 5.054 1.00 0.00 H new