USER MOD reduce.3.24.130724 H: found=0, std=0, add=152, rem=0, adj=4 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 368 GLN :FLIP amide:sc= 0.32 F(o=-1.6,f=-0.97) USER MOD Set 1.2: A 371 ASN :FLIP amide:sc= -1.29 F(o=-2.5!,f=-0.97) USER MOD Single : A 361 MET CE :methyl -151:sc= -0.35 (180deg=-2.08!) 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 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 -5.559 7.446 -4.848 1.00 0.00 N ATOM 203 CA ALA A 359 -4.728 7.670 -3.671 1.00 0.00 C ATOM 204 C ALA A 359 -4.416 6.347 -2.978 1.00 0.00 C ATOM 205 O ALA A 359 -3.263 6.063 -2.653 1.00 0.00 O ATOM 206 CB ALA A 359 -5.445 8.603 -2.693 1.00 0.00 C ATOM 0 HA ALA A 359 -3.794 8.130 -3.992 1.00 0.00 H new ATOM 0 HB1 ALA A 359 -4.817 8.764 -1.817 1.00 0.00 H new ATOM 0 HB2 ALA A 359 -5.642 9.558 -3.179 1.00 0.00 H new ATOM 0 HB3 ALA A 359 -6.388 8.152 -2.385 1.00 0.00 H new ATOM 212 N GLU A 360 -5.450 5.543 -2.756 1.00 0.00 N ATOM 213 CA GLU A 360 -5.276 4.253 -2.101 1.00 0.00 C ATOM 214 C GLU A 360 -4.330 3.366 -2.904 1.00 0.00 C ATOM 215 O GLU A 360 -3.427 2.741 -2.349 1.00 0.00 O ATOM 216 CB GLU A 360 -6.627 3.559 -1.953 1.00 0.00 C ATOM 217 CG GLU A 360 -7.274 3.978 -0.632 1.00 0.00 C ATOM 218 CD GLU A 360 -7.788 2.749 0.109 1.00 0.00 C ATOM 219 OE1 GLU A 360 -8.262 2.909 1.222 1.00 0.00 O ATOM 220 OE2 GLU A 360 -7.699 1.666 -0.445 1.00 0.00 O ATOM 0 H GLU A 360 -6.411 5.760 -3.018 1.00 0.00 H new ATOM 0 HA GLU A 360 -4.844 4.423 -1.115 1.00 0.00 H new ATOM 0 HB2 GLU A 360 -7.276 3.822 -2.788 1.00 0.00 H new ATOM 0 HB3 GLU A 360 -6.497 2.477 -1.979 1.00 0.00 H new ATOM 0 HG2 GLU A 360 -6.549 4.508 -0.015 1.00 0.00 H new ATOM 0 HG3 GLU A 360 -8.096 4.668 -0.823 1.00 0.00 H new ATOM 227 N MET A 361 -4.545 3.314 -4.215 1.00 0.00 N ATOM 228 CA MET A 361 -3.707 2.498 -5.085 1.00 0.00 C ATOM 229 C MET A 361 -2.259 2.980 -5.038 1.00 0.00 C ATOM 230 O MET A 361 -1.332 2.179 -4.909 1.00 0.00 O ATOM 231 CB MET A 361 -4.223 2.569 -6.523 1.00 0.00 C ATOM 232 CG MET A 361 -3.407 3.597 -7.310 1.00 0.00 C ATOM 233 SD MET A 361 -3.952 3.605 -9.037 1.00 0.00 S ATOM 234 CE MET A 361 -3.542 1.882 -9.411 1.00 0.00 C ATOM 0 H MET A 361 -5.287 3.823 -4.695 1.00 0.00 H new ATOM 0 HA MET A 361 -3.747 1.466 -4.735 1.00 0.00 H new ATOM 0 HB2 MET A 361 -4.147 1.590 -6.996 1.00 0.00 H new ATOM 0 HB3 MET A 361 -5.277 2.845 -6.529 1.00 0.00 H new ATOM 0 HG2 MET A 361 -3.532 4.588 -6.873 1.00 0.00 H new ATOM 0 HG3 MET A 361 -2.346 3.355 -7.253 1.00 0.00 H new ATOM 0 HE1 MET A 361 -3.301 1.787 -10.470 1.00 0.00 H new ATOM 0 HE2 MET A 361 -2.683 1.575 -8.815 1.00 0.00 H new ATOM 0 HE3 MET A 361 -4.394 1.245 -9.174 1.00 0.00 H new ATOM 244 N GLU A 362 -2.074 4.291 -5.141 1.00 0.00 N ATOM 245 CA GLU A 362 -0.736 4.870 -5.107 1.00 0.00 C ATOM 246 C GLU A 362 -0.126 4.721 -3.718 1.00 0.00 C ATOM 247 O GLU A 362 1.093 4.613 -3.573 1.00 0.00 O ATOM 248 CB GLU A 362 -0.795 6.350 -5.486 1.00 0.00 C ATOM 249 CG GLU A 362 -0.702 6.493 -7.007 1.00 0.00 C ATOM 250 CD GLU A 362 0.726 6.226 -7.468 1.00 0.00 C ATOM 251 OE1 GLU A 362 1.637 6.516 -6.709 1.00 0.00 O ATOM 252 OE2 GLU A 362 0.890 5.736 -8.572 1.00 0.00 O ATOM 0 H GLU A 362 -2.828 4.969 -5.248 1.00 0.00 H new ATOM 0 HA GLU A 362 -0.112 4.339 -5.826 1.00 0.00 H new ATOM 0 HB2 GLU A 362 -1.724 6.792 -5.125 1.00 0.00 H new ATOM 0 HB3 GLU A 362 0.022 6.891 -5.009 1.00 0.00 H new ATOM 0 HG2 GLU A 362 -1.385 5.794 -7.489 1.00 0.00 H new ATOM 0 HG3 GLU A 362 -1.008 7.495 -7.306 1.00 0.00 H new ATOM 259 N LYS A 363 -0.978 4.719 -2.699 1.00 0.00 N ATOM 260 CA LYS A 363 -0.512 4.583 -1.325 1.00 0.00 C ATOM 261 C LYS A 363 0.090 3.201 -1.097 1.00 0.00 C ATOM 262 O LYS A 363 1.195 3.074 -0.568 1.00 0.00 O ATOM 263 CB LYS A 363 -1.675 4.802 -0.354 1.00 0.00 C ATOM 264 CG LYS A 363 -1.294 5.873 0.668 1.00 0.00 C ATOM 265 CD LYS A 363 -0.660 5.208 1.893 1.00 0.00 C ATOM 266 CE LYS A 363 0.854 5.425 1.867 1.00 0.00 C ATOM 267 NZ LYS A 363 1.190 6.667 2.621 1.00 0.00 N ATOM 0 H LYS A 363 -1.989 4.809 -2.798 1.00 0.00 H new ATOM 0 HA LYS A 363 0.256 5.335 -1.147 1.00 0.00 H new ATOM 0 HB2 LYS A 363 -2.567 5.108 -0.901 1.00 0.00 H new ATOM 0 HB3 LYS A 363 -1.918 3.869 0.155 1.00 0.00 H new ATOM 0 HG2 LYS A 363 -0.596 6.582 0.224 1.00 0.00 H new ATOM 0 HG3 LYS A 363 -2.177 6.438 0.964 1.00 0.00 H new ATOM 0 HD2 LYS A 363 -1.082 5.627 2.806 1.00 0.00 H new ATOM 0 HD3 LYS A 363 -0.885 4.141 1.898 1.00 0.00 H new ATOM 0 HE2 LYS A 363 1.363 4.569 2.310 1.00 0.00 H new ATOM 0 HE3 LYS A 363 1.203 5.506 0.838 1.00 0.00 H new ATOM 0 HZ1 LYS A 363 2.219 6.816 2.604 1.00 0.00 H new ATOM 0 HZ2 LYS A 363 0.715 7.480 2.179 1.00 0.00 H new ATOM 0 HZ3 LYS A 363 0.870 6.572 3.606 1.00 0.00 H new ATOM 281 N LYS A 364 -0.643 2.169 -1.499 1.00 0.00 N ATOM 282 CA LYS A 364 -0.171 0.799 -1.334 1.00 0.00 C ATOM 283 C LYS A 364 1.039 0.537 -2.224 1.00 0.00 C ATOM 284 O LYS A 364 2.073 0.058 -1.759 1.00 0.00 O ATOM 285 CB LYS A 364 -1.289 -0.185 -1.687 1.00 0.00 C ATOM 286 CG LYS A 364 -2.479 0.037 -0.754 1.00 0.00 C ATOM 287 CD LYS A 364 -3.739 -0.566 -1.379 1.00 0.00 C ATOM 288 CE LYS A 364 -4.335 -1.604 -0.427 1.00 0.00 C ATOM 289 NZ LYS A 364 -4.818 -2.777 -1.209 1.00 0.00 N ATOM 0 H LYS A 364 -1.560 2.253 -1.938 1.00 0.00 H new ATOM 0 HA LYS A 364 0.121 0.659 -0.293 1.00 0.00 H new ATOM 0 HB2 LYS A 364 -1.596 -0.046 -2.724 1.00 0.00 H new ATOM 0 HB3 LYS A 364 -0.928 -1.209 -1.596 1.00 0.00 H new ATOM 0 HG2 LYS A 364 -2.285 -0.423 0.215 1.00 0.00 H new ATOM 0 HG3 LYS A 364 -2.622 1.103 -0.578 1.00 0.00 H new ATOM 0 HD2 LYS A 364 -4.468 0.218 -1.581 1.00 0.00 H new ATOM 0 HD3 LYS A 364 -3.497 -1.030 -2.335 1.00 0.00 H new ATOM 0 HE2 LYS A 364 -3.585 -1.921 0.298 1.00 0.00 H new ATOM 0 HE3 LYS A 364 -5.158 -1.165 0.137 1.00 0.00 H new ATOM 0 HZ1 LYS A 364 -5.223 -3.483 -0.562 1.00 0.00 H new ATOM 0 HZ2 LYS A 364 -5.546 -2.468 -1.884 1.00 0.00 H new ATOM 0 HZ3 LYS A 364 -4.022 -3.200 -1.728 1.00 0.00 H new ATOM 303 N ILE A 365 0.904 0.857 -3.508 1.00 0.00 N ATOM 304 CA ILE A 365 1.994 0.653 -4.455 1.00 0.00 C ATOM 305 C ILE A 365 3.230 1.436 -4.026 1.00 0.00 C ATOM 306 O ILE A 365 4.345 0.915 -4.043 1.00 0.00 O ATOM 307 CB ILE A 365 1.562 1.098 -5.850 1.00 0.00 C ATOM 308 CG1 ILE A 365 0.527 0.114 -6.400 1.00 0.00 C ATOM 309 CG2 ILE A 365 2.779 1.127 -6.777 1.00 0.00 C ATOM 310 CD1 ILE A 365 0.408 0.292 -7.914 1.00 0.00 C ATOM 0 H ILE A 365 0.057 1.256 -3.914 1.00 0.00 H new ATOM 0 HA ILE A 365 2.241 -0.408 -4.474 1.00 0.00 H new ATOM 0 HB ILE A 365 1.124 2.095 -5.794 1.00 0.00 H new ATOM 0 HG12 ILE A 365 0.822 -0.909 -6.165 1.00 0.00 H new ATOM 0 HG13 ILE A 365 -0.440 0.284 -5.926 1.00 0.00 H new ATOM 0 HG21 ILE A 365 2.470 1.445 -7.773 1.00 0.00 H new ATOM 0 HG22 ILE A 365 3.518 1.826 -6.386 1.00 0.00 H new ATOM 0 HG23 ILE A 365 3.217 0.131 -6.834 1.00 0.00 H new ATOM 0 HD11 ILE A 365 -0.329 -0.409 -8.306 1.00 0.00 H new ATOM 0 HD12 ILE A 365 0.094 1.312 -8.137 1.00 0.00 H new ATOM 0 HD13 ILE A 365 1.375 0.100 -8.380 1.00 0.00 H new ATOM 322 N ARG A 366 3.024 2.692 -3.644 1.00 0.00 N ATOM 323 CA ARG A 366 4.129 3.541 -3.213 1.00 0.00 C ATOM 324 C ARG A 366 4.813 2.947 -1.987 1.00 0.00 C ATOM 325 O ARG A 366 6.040 2.903 -1.909 1.00 0.00 O ATOM 326 CB ARG A 366 3.612 4.944 -2.884 1.00 0.00 C ATOM 327 CG ARG A 366 3.326 5.700 -4.183 1.00 0.00 C ATOM 328 CD ARG A 366 2.537 6.972 -3.869 1.00 0.00 C ATOM 329 NE ARG A 366 2.938 7.507 -2.574 1.00 0.00 N ATOM 330 CZ ARG A 366 2.702 8.775 -2.250 1.00 0.00 C ATOM 331 NH1 ARG A 366 2.103 9.564 -3.101 1.00 0.00 N ATOM 332 NH2 ARG A 366 3.071 9.231 -1.085 1.00 0.00 N ATOM 0 H ARG A 366 2.109 3.142 -3.624 1.00 0.00 H new ATOM 0 HA ARG A 366 4.854 3.603 -4.025 1.00 0.00 H new ATOM 0 HB2 ARG A 366 2.705 4.877 -2.282 1.00 0.00 H new ATOM 0 HB3 ARG A 366 4.349 5.485 -2.291 1.00 0.00 H new ATOM 0 HG2 ARG A 366 4.261 5.953 -4.682 1.00 0.00 H new ATOM 0 HG3 ARG A 366 2.760 5.068 -4.867 1.00 0.00 H new ATOM 0 HD2 ARG A 366 2.708 7.716 -4.647 1.00 0.00 H new ATOM 0 HD3 ARG A 366 1.469 6.755 -3.866 1.00 0.00 H new ATOM 0 HE ARG A 366 3.408 6.898 -1.904 1.00 0.00 H new ATOM 0 HH11 ARG A 366 1.817 9.207 -4.013 1.00 0.00 H new ATOM 0 HH12 ARG A 366 1.921 10.537 -2.854 1.00 0.00 H new ATOM 0 HH21 ARG A 366 3.541 8.615 -0.422 1.00 0.00 H new ATOM 0 HH22 ARG A 366 2.890 10.204 -0.837 1.00 0.00 H new ATOM 346 N ASP A 367 4.009 2.493 -1.032 1.00 0.00 N ATOM 347 CA ASP A 367 4.546 1.903 0.188 1.00 0.00 C ATOM 348 C ASP A 367 5.328 0.633 -0.130 1.00 0.00 C ATOM 349 O ASP A 367 6.433 0.429 0.371 1.00 0.00 O ATOM 350 CB ASP A 367 3.407 1.574 1.155 1.00 0.00 C ATOM 351 CG ASP A 367 3.802 1.959 2.577 1.00 0.00 C ATOM 352 OD1 ASP A 367 4.477 1.170 3.218 1.00 0.00 O ATOM 353 OD2 ASP A 367 3.425 3.037 3.004 1.00 0.00 O ATOM 0 H ASP A 367 2.990 2.522 -1.078 1.00 0.00 H new ATOM 0 HA ASP A 367 5.219 2.624 0.652 1.00 0.00 H new ATOM 0 HB2 ASP A 367 2.504 2.110 0.862 1.00 0.00 H new ATOM 0 HB3 ASP A 367 3.176 0.510 1.109 1.00 0.00 H new ATOM 358 N GLN A 368 4.745 -0.219 -0.968 1.00 0.00 N ATOM 359 CA GLN A 368 5.397 -1.468 -1.348 1.00 0.00 C ATOM 360 C GLN A 368 6.652 -1.188 -2.166 1.00 0.00 C ATOM 361 O GLN A 368 7.592 -1.981 -2.174 1.00 0.00 O ATOM 362 CB GLN A 368 4.436 -2.335 -2.161 1.00 0.00 C ATOM 363 CG GLN A 368 4.276 -3.697 -1.480 1.00 0.00 C ATOM 364 CD GLN A 368 5.169 -4.727 -2.161 1.00 0.00 C ATOM 365 OE1 GLN A 368 4.902 -5.102 -3.382 1.00 0.00 O flip ATOM 366 NE2 GLN A 368 6.136 -5.203 -1.567 1.00 0.00 N flip ATOM 0 H GLN A 368 3.830 -0.070 -1.394 1.00 0.00 H new ATOM 0 HA GLN A 368 5.680 -1.999 -0.439 1.00 0.00 H new ATOM 0 HB2 GLN A 368 3.467 -1.842 -2.245 1.00 0.00 H new ATOM 0 HB3 GLN A 368 4.816 -2.466 -3.174 1.00 0.00 H new ATOM 0 HG2 GLN A 368 4.537 -3.618 -0.425 1.00 0.00 H new ATOM 0 HG3 GLN A 368 3.235 -4.017 -1.528 1.00 0.00 H new ATOM 0 HE21 GLN A 368 6.344 -4.909 -0.613 1.00 0.00 H new ATOM 0 HE22 GLN A 368 6.730 -5.892 -2.029 1.00 0.00 H new ATOM 375 N ASP A 369 6.655 -0.053 -2.852 1.00 0.00 N ATOM 376 CA ASP A 369 7.797 0.329 -3.674 1.00 0.00 C ATOM 377 C ASP A 369 8.945 0.815 -2.798 1.00 0.00 C ATOM 378 O ASP A 369 10.111 0.519 -3.060 1.00 0.00 O ATOM 379 CB ASP A 369 7.395 1.434 -4.651 1.00 0.00 C ATOM 380 CG ASP A 369 6.715 0.827 -5.876 1.00 0.00 C ATOM 381 OD1 ASP A 369 7.221 -0.163 -6.379 1.00 0.00 O ATOM 382 OD2 ASP A 369 5.700 1.362 -6.291 1.00 0.00 O ATOM 0 H ASP A 369 5.885 0.616 -2.857 1.00 0.00 H new ATOM 0 HA ASP A 369 8.126 -0.546 -4.235 1.00 0.00 H new ATOM 0 HB2 ASP A 369 6.720 2.136 -4.161 1.00 0.00 H new ATOM 0 HB3 ASP A 369 8.276 1.999 -4.956 1.00 0.00 H new ATOM 387 N ARG A 370 8.604 1.561 -1.755 1.00 0.00 N ATOM 388 CA ARG A 370 9.611 2.087 -0.841 1.00 0.00 C ATOM 389 C ARG A 370 10.184 0.966 0.020 1.00 0.00 C ATOM 390 O ARG A 370 11.374 0.959 0.335 1.00 0.00 O ATOM 391 CB ARG A 370 8.991 3.158 0.058 1.00 0.00 C ATOM 392 CG ARG A 370 9.127 4.527 -0.610 1.00 0.00 C ATOM 393 CD ARG A 370 9.502 5.574 0.439 1.00 0.00 C ATOM 394 NE ARG A 370 10.402 6.566 -0.136 1.00 0.00 N ATOM 395 CZ ARG A 370 10.514 7.782 0.390 1.00 0.00 C ATOM 396 NH1 ARG A 370 9.810 8.103 1.442 1.00 0.00 N ATOM 397 NH2 ARG A 370 11.328 8.652 -0.142 1.00 0.00 N ATOM 0 H ARG A 370 7.644 1.815 -1.521 1.00 0.00 H new ATOM 0 HA ARG A 370 10.416 2.529 -1.428 1.00 0.00 H new ATOM 0 HB2 ARG A 370 7.940 2.932 0.238 1.00 0.00 H new ATOM 0 HB3 ARG A 370 9.487 3.164 1.029 1.00 0.00 H new ATOM 0 HG2 ARG A 370 9.889 4.489 -1.389 1.00 0.00 H new ATOM 0 HG3 ARG A 370 8.190 4.802 -1.094 1.00 0.00 H new ATOM 0 HD2 ARG A 370 8.602 6.063 0.813 1.00 0.00 H new ATOM 0 HD3 ARG A 370 9.980 5.090 1.291 1.00 0.00 H new ATOM 0 HE ARG A 370 10.956 6.323 -0.957 1.00 0.00 H new ATOM 0 HH11 ARG A 370 9.176 7.421 1.859 1.00 0.00 H new ATOM 0 HH12 ARG A 370 9.894 9.035 1.847 1.00 0.00 H new ATOM 0 HH21 ARG A 370 11.879 8.400 -0.962 1.00 0.00 H new ATOM 0 HH22 ARG A 370 11.413 9.585 0.262 1.00 0.00 H new ATOM 411 N ASN A 371 9.330 0.019 0.395 1.00 0.00 N ATOM 412 CA ASN A 371 9.764 -1.103 1.219 1.00 0.00 C ATOM 413 C ASN A 371 10.625 -2.063 0.404 1.00 0.00 C ATOM 414 O ASN A 371 11.716 -2.444 0.829 1.00 0.00 O ATOM 415 CB ASN A 371 8.546 -1.849 1.768 1.00 0.00 C ATOM 416 CG ASN A 371 8.531 -3.281 1.246 1.00 0.00 C ATOM 417 OD1 ASN A 371 7.714 -3.604 0.280 1.00 0.00 O flip ATOM 418 ND2 ASN A 371 9.284 -4.128 1.728 1.00 0.00 N flip ATOM 0 H ASN A 371 8.341 0.006 0.144 1.00 0.00 H new ATOM 0 HA ASN A 371 10.356 -0.714 2.048 1.00 0.00 H new ATOM 0 HB2 ASN A 371 8.572 -1.851 2.858 1.00 0.00 H new ATOM 0 HB3 ASN A 371 7.631 -1.336 1.472 1.00 0.00 H new ATOM 0 HD21 ASN A 371 9.921 -3.873 2.483 1.00 0.00 H new ATOM 0 HD22 ASN A 371 9.270 -5.084 1.373 1.00 0.00 H new ATOM 425 N THR A 372 10.131 -2.445 -0.768 1.00 0.00 N ATOM 426 CA THR A 372 10.867 -3.359 -1.633 1.00 0.00 C ATOM 427 C THR A 372 12.194 -2.740 -2.059 1.00 0.00 C ATOM 428 O THR A 372 13.240 -3.387 -2.000 1.00 0.00 O ATOM 429 CB THR A 372 10.035 -3.690 -2.873 1.00 0.00 C ATOM 430 OG1 THR A 372 9.568 -5.030 -2.786 1.00 0.00 O ATOM 431 CG2 THR A 372 10.897 -3.530 -4.127 1.00 0.00 C ATOM 0 H THR A 372 9.231 -2.139 -1.139 1.00 0.00 H new ATOM 0 HA THR A 372 11.067 -4.274 -1.076 1.00 0.00 H new ATOM 0 HB THR A 372 9.184 -3.011 -2.930 1.00 0.00 H new ATOM 0 HG1 THR A 372 9.033 -5.242 -3.579 1.00 0.00 H new ATOM 0 HG21 THR A 372 10.303 -3.766 -5.010 1.00 0.00 H new ATOM 0 HG22 THR A 372 11.254 -2.502 -4.194 1.00 0.00 H new ATOM 0 HG23 THR A 372 11.749 -4.207 -4.072 1.00 0.00 H new ATOM 439 N ARG A 373 12.145 -1.481 -2.484 1.00 0.00 N ATOM 440 CA ARG A 373 13.350 -0.784 -2.915 1.00 0.00 C ATOM 441 C ARG A 373 14.292 -0.568 -1.735 1.00 0.00 C ATOM 442 O ARG A 373 15.511 -0.658 -1.876 1.00 0.00 O ATOM 443 CB ARG A 373 12.981 0.568 -3.530 1.00 0.00 C ATOM 444 CG ARG A 373 12.463 0.357 -4.954 1.00 0.00 C ATOM 445 CD ARG A 373 13.277 1.214 -5.926 1.00 0.00 C ATOM 446 NE ARG A 373 14.653 0.739 -5.985 1.00 0.00 N ATOM 447 CZ ARG A 373 15.440 1.040 -7.014 1.00 0.00 C ATOM 448 NH1 ARG A 373 14.983 1.772 -7.992 1.00 0.00 N ATOM 449 NH2 ARG A 373 16.669 0.602 -7.045 1.00 0.00 N ATOM 0 H ARG A 373 11.290 -0.927 -2.539 1.00 0.00 H new ATOM 0 HA ARG A 373 13.854 -1.396 -3.663 1.00 0.00 H new ATOM 0 HB2 ARG A 373 12.220 1.059 -2.924 1.00 0.00 H new ATOM 0 HB3 ARG A 373 13.852 1.224 -3.542 1.00 0.00 H new ATOM 0 HG2 ARG A 373 12.540 -0.695 -5.228 1.00 0.00 H new ATOM 0 HG3 ARG A 373 11.408 0.625 -5.012 1.00 0.00 H new ATOM 0 HD2 ARG A 373 12.829 1.176 -6.919 1.00 0.00 H new ATOM 0 HD3 ARG A 373 13.258 2.256 -5.607 1.00 0.00 H new ATOM 0 HE ARG A 373 15.019 0.166 -5.225 1.00 0.00 H new ATOM 0 HH11 ARG A 373 14.022 2.114 -7.968 1.00 0.00 H new ATOM 0 HH12 ARG A 373 15.586 2.003 -8.781 1.00 0.00 H new ATOM 0 HH21 ARG A 373 17.026 0.029 -6.280 1.00 0.00 H new ATOM 0 HH22 ARG A 373 17.273 0.833 -7.834 1.00 0.00 H new ATOM 463 N ARG A 374 13.717 -0.283 -0.571 1.00 0.00 N ATOM 464 CA ARG A 374 14.515 -0.058 0.628 1.00 0.00 C ATOM 465 C ARG A 374 15.304 -1.313 0.988 1.00 0.00 C ATOM 466 O ARG A 374 16.479 -1.237 1.345 1.00 0.00 O ATOM 467 CB ARG A 374 13.606 0.328 1.796 1.00 0.00 C ATOM 468 CG ARG A 374 13.541 1.852 1.911 1.00 0.00 C ATOM 469 CD ARG A 374 14.737 2.355 2.720 1.00 0.00 C ATOM 470 NE ARG A 374 14.301 3.336 3.708 1.00 0.00 N ATOM 471 CZ ARG A 374 13.851 4.531 3.339 1.00 0.00 C ATOM 472 NH1 ARG A 374 13.795 4.844 2.073 1.00 0.00 N ATOM 473 NH2 ARG A 374 13.467 5.390 4.242 1.00 0.00 N ATOM 0 H ARG A 374 12.710 -0.203 -0.433 1.00 0.00 H new ATOM 0 HA ARG A 374 15.215 0.754 0.430 1.00 0.00 H new ATOM 0 HB2 ARG A 374 12.606 -0.079 1.642 1.00 0.00 H new ATOM 0 HB3 ARG A 374 13.986 -0.101 2.723 1.00 0.00 H new ATOM 0 HG2 ARG A 374 13.545 2.302 0.918 1.00 0.00 H new ATOM 0 HG3 ARG A 374 12.611 2.151 2.393 1.00 0.00 H new ATOM 0 HD2 ARG A 374 15.225 1.518 3.219 1.00 0.00 H new ATOM 0 HD3 ARG A 374 15.474 2.803 2.053 1.00 0.00 H new ATOM 0 HE ARG A 374 14.342 3.101 4.700 1.00 0.00 H new ATOM 0 HH11 ARG A 374 14.096 4.172 1.368 1.00 0.00 H new ATOM 0 HH12 ARG A 374 13.450 5.761 1.789 1.00 0.00 H new ATOM 0 HH21 ARG A 374 13.512 5.145 5.231 1.00 0.00 H new ATOM 0 HH22 ARG A 374 13.122 6.307 3.959 1.00 0.00 H new ATOM 487 N MET A 375 14.649 -2.466 0.890 1.00 0.00 N ATOM 488 CA MET A 375 15.302 -3.731 1.206 1.00 0.00 C ATOM 489 C MET A 375 16.178 -4.185 0.045 1.00 0.00 C ATOM 490 O MET A 375 17.134 -4.938 0.231 1.00 0.00 O ATOM 491 CB MET A 375 14.251 -4.801 1.509 1.00 0.00 C ATOM 492 CG MET A 375 14.042 -4.901 3.020 1.00 0.00 C ATOM 493 SD MET A 375 15.616 -5.291 3.823 1.00 0.00 S ATOM 494 CE MET A 375 15.474 -4.111 5.188 1.00 0.00 C ATOM 0 H MET A 375 13.676 -2.550 0.597 1.00 0.00 H new ATOM 0 HA MET A 375 15.931 -3.585 2.084 1.00 0.00 H new ATOM 0 HB2 MET A 375 13.311 -4.551 1.017 1.00 0.00 H new ATOM 0 HB3 MET A 375 14.572 -5.764 1.112 1.00 0.00 H new ATOM 0 HG2 MET A 375 13.648 -3.961 3.406 1.00 0.00 H new ATOM 0 HG3 MET A 375 13.306 -5.672 3.246 1.00 0.00 H new ATOM 0 HE1 MET A 375 16.357 -4.182 5.824 1.00 0.00 H new ATOM 0 HE2 MET A 375 15.395 -3.100 4.788 1.00 0.00 H new ATOM 0 HE3 MET A 375 14.585 -4.339 5.775 1.00 0.00 H new