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 -151:sc= -0.135 (180deg=-1.81!) 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 K(o=0,f=-1.2) USER MOD Single : A 371 ASN : amide:sc= -1.24 X(o=-1.2,f=-0.81) 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 -5.864 7.053 -4.752 1.00 0.00 N ATOM 203 CA ALA A 359 -5.097 7.319 -3.539 1.00 0.00 C ATOM 204 C ALA A 359 -4.608 6.016 -2.918 1.00 0.00 C ATOM 205 O ALA A 359 -3.432 5.882 -2.576 1.00 0.00 O ATOM 206 CB ALA A 359 -5.963 8.075 -2.530 1.00 0.00 C ATOM 0 HA ALA A 359 -4.233 7.928 -3.804 1.00 0.00 H new ATOM 0 HB1 ALA A 359 -5.384 8.270 -1.627 1.00 0.00 H new ATOM 0 HB2 ALA A 359 -6.287 9.021 -2.965 1.00 0.00 H new ATOM 0 HB3 ALA A 359 -6.837 7.474 -2.278 1.00 0.00 H new ATOM 212 N GLU A 360 -5.514 5.055 -2.776 1.00 0.00 N ATOM 213 CA GLU A 360 -5.165 3.765 -2.194 1.00 0.00 C ATOM 214 C GLU A 360 -4.075 3.083 -3.014 1.00 0.00 C ATOM 215 O GLU A 360 -3.114 2.548 -2.464 1.00 0.00 O ATOM 216 CB GLU A 360 -6.400 2.871 -2.135 1.00 0.00 C ATOM 217 CG GLU A 360 -7.136 3.102 -0.814 1.00 0.00 C ATOM 218 CD GLU A 360 -7.473 1.764 -0.164 1.00 0.00 C ATOM 219 OE1 GLU A 360 -6.551 1.032 0.152 1.00 0.00 O ATOM 220 OE2 GLU A 360 -8.650 1.492 0.008 1.00 0.00 O ATOM 0 H GLU A 360 -6.491 5.144 -3.055 1.00 0.00 H new ATOM 0 HA GLU A 360 -4.789 3.931 -1.184 1.00 0.00 H new ATOM 0 HB2 GLU A 360 -7.060 3.090 -2.974 1.00 0.00 H new ATOM 0 HB3 GLU A 360 -6.109 1.824 -2.223 1.00 0.00 H new ATOM 0 HG2 GLU A 360 -6.517 3.696 -0.142 1.00 0.00 H new ATOM 0 HG3 GLU A 360 -8.049 3.670 -0.991 1.00 0.00 H new ATOM 227 N MET A 361 -4.233 3.107 -4.333 1.00 0.00 N ATOM 228 CA MET A 361 -3.255 2.489 -5.221 1.00 0.00 C ATOM 229 C MET A 361 -1.881 3.118 -5.025 1.00 0.00 C ATOM 230 O MET A 361 -0.885 2.416 -4.849 1.00 0.00 O ATOM 231 CB MET A 361 -3.690 2.656 -6.678 1.00 0.00 C ATOM 232 CG MET A 361 -4.785 1.638 -7.004 1.00 0.00 C ATOM 233 SD MET A 361 -4.578 1.053 -8.704 1.00 0.00 S ATOM 234 CE MET A 361 -4.378 2.676 -9.479 1.00 0.00 C ATOM 0 H MET A 361 -5.023 3.544 -4.808 1.00 0.00 H new ATOM 0 HA MET A 361 -3.195 1.428 -4.980 1.00 0.00 H new ATOM 0 HB2 MET A 361 -4.058 3.668 -6.845 1.00 0.00 H new ATOM 0 HB3 MET A 361 -2.837 2.514 -7.342 1.00 0.00 H new ATOM 0 HG2 MET A 361 -4.734 0.799 -6.311 1.00 0.00 H new ATOM 0 HG3 MET A 361 -5.768 2.093 -6.882 1.00 0.00 H new ATOM 0 HE1 MET A 361 -4.739 2.636 -10.507 1.00 0.00 H new ATOM 0 HE2 MET A 361 -4.950 3.418 -8.922 1.00 0.00 H new ATOM 0 HE3 MET A 361 -3.324 2.953 -9.476 1.00 0.00 H new ATOM 244 N GLU A 362 -1.836 4.446 -5.052 1.00 0.00 N ATOM 245 CA GLU A 362 -0.577 5.162 -4.874 1.00 0.00 C ATOM 246 C GLU A 362 -0.025 4.931 -3.472 1.00 0.00 C ATOM 247 O GLU A 362 1.188 4.943 -3.262 1.00 0.00 O ATOM 248 CB GLU A 362 -0.793 6.660 -5.100 1.00 0.00 C ATOM 249 CG GLU A 362 -0.813 6.952 -6.601 1.00 0.00 C ATOM 250 CD GLU A 362 0.436 7.731 -6.999 1.00 0.00 C ATOM 251 OE1 GLU A 362 1.504 7.379 -6.526 1.00 0.00 O ATOM 252 OE2 GLU A 362 0.308 8.667 -7.770 1.00 0.00 O ATOM 0 H GLU A 362 -2.650 5.045 -5.194 1.00 0.00 H new ATOM 0 HA GLU A 362 0.142 4.785 -5.602 1.00 0.00 H new ATOM 0 HB2 GLU A 362 -1.732 6.976 -4.645 1.00 0.00 H new ATOM 0 HB3 GLU A 362 0.002 7.230 -4.619 1.00 0.00 H new ATOM 0 HG2 GLU A 362 -0.862 6.018 -7.161 1.00 0.00 H new ATOM 0 HG3 GLU A 362 -1.705 7.524 -6.856 1.00 0.00 H new ATOM 259 N LYS A 363 -0.923 4.720 -2.516 1.00 0.00 N ATOM 260 CA LYS A 363 -0.514 4.487 -1.135 1.00 0.00 C ATOM 261 C LYS A 363 0.177 3.133 -1.003 1.00 0.00 C ATOM 262 O LYS A 363 1.262 3.032 -0.431 1.00 0.00 O ATOM 263 CB LYS A 363 -1.736 4.531 -0.215 1.00 0.00 C ATOM 264 CG LYS A 363 -1.493 5.539 0.909 1.00 0.00 C ATOM 265 CD LYS A 363 -0.859 4.826 2.106 1.00 0.00 C ATOM 266 CE LYS A 363 -0.339 5.865 3.102 1.00 0.00 C ATOM 267 NZ LYS A 363 1.143 5.976 2.974 1.00 0.00 N ATOM 0 H LYS A 363 -1.931 4.705 -2.669 1.00 0.00 H new ATOM 0 HA LYS A 363 0.187 5.270 -0.845 1.00 0.00 H new ATOM 0 HB2 LYS A 363 -2.623 4.811 -0.784 1.00 0.00 H new ATOM 0 HB3 LYS A 363 -1.925 3.542 0.203 1.00 0.00 H new ATOM 0 HG2 LYS A 363 -0.839 6.338 0.560 1.00 0.00 H new ATOM 0 HG3 LYS A 363 -2.434 6.003 1.205 1.00 0.00 H new ATOM 0 HD2 LYS A 363 -1.592 4.180 2.588 1.00 0.00 H new ATOM 0 HD3 LYS A 363 -0.042 4.187 1.771 1.00 0.00 H new ATOM 0 HE2 LYS A 363 -0.805 6.832 2.912 1.00 0.00 H new ATOM 0 HE3 LYS A 363 -0.607 5.576 4.118 1.00 0.00 H new ATOM 0 HZ1 LYS A 363 1.498 6.682 3.650 1.00 0.00 H new ATOM 0 HZ2 LYS A 363 1.579 5.054 3.176 1.00 0.00 H new ATOM 0 HZ3 LYS A 363 1.387 6.270 2.007 1.00 0.00 H new ATOM 281 N LYS A 364 -0.460 2.096 -1.537 1.00 0.00 N ATOM 282 CA LYS A 364 0.101 0.751 -1.473 1.00 0.00 C ATOM 283 C LYS A 364 1.289 0.623 -2.422 1.00 0.00 C ATOM 284 O LYS A 364 2.345 0.116 -2.044 1.00 0.00 O ATOM 285 CB LYS A 364 -0.965 -0.279 -1.846 1.00 0.00 C ATOM 286 CG LYS A 364 -1.150 -0.298 -3.365 1.00 0.00 C ATOM 287 CD LYS A 364 -2.300 -1.240 -3.729 1.00 0.00 C ATOM 288 CE LYS A 364 -1.792 -2.321 -4.683 1.00 0.00 C ATOM 289 NZ LYS A 364 -2.937 -3.164 -5.132 1.00 0.00 N ATOM 0 H LYS A 364 -1.358 2.160 -2.016 1.00 0.00 H new ATOM 0 HA LYS A 364 0.441 0.567 -0.454 1.00 0.00 H new ATOM 0 HB2 LYS A 364 -0.670 -1.267 -1.493 1.00 0.00 H new ATOM 0 HB3 LYS A 364 -1.908 -0.035 -1.358 1.00 0.00 H new ATOM 0 HG2 LYS A 364 -1.361 0.708 -3.729 1.00 0.00 H new ATOM 0 HG3 LYS A 364 -0.230 -0.626 -3.850 1.00 0.00 H new ATOM 0 HD2 LYS A 364 -2.708 -1.698 -2.828 1.00 0.00 H new ATOM 0 HD3 LYS A 364 -3.110 -0.679 -4.196 1.00 0.00 H new ATOM 0 HE2 LYS A 364 -1.305 -1.862 -5.543 1.00 0.00 H new ATOM 0 HE3 LYS A 364 -1.045 -2.939 -4.185 1.00 0.00 H new ATOM 0 HZ1 LYS A 364 -2.593 -3.900 -5.781 1.00 0.00 H new ATOM 0 HZ2 LYS A 364 -3.383 -3.612 -4.306 1.00 0.00 H new ATOM 0 HZ3 LYS A 364 -3.635 -2.569 -5.622 1.00 0.00 H new ATOM 303 N ILE A 365 1.108 1.087 -3.655 1.00 0.00 N ATOM 304 CA ILE A 365 2.172 1.019 -4.649 1.00 0.00 C ATOM 305 C ILE A 365 3.403 1.780 -4.171 1.00 0.00 C ATOM 306 O ILE A 365 4.520 1.266 -4.218 1.00 0.00 O ATOM 307 CB ILE A 365 1.687 1.608 -5.971 1.00 0.00 C ATOM 308 CG1 ILE A 365 0.870 0.558 -6.729 1.00 0.00 C ATOM 309 CG2 ILE A 365 2.890 2.026 -6.818 1.00 0.00 C ATOM 310 CD1 ILE A 365 1.132 0.691 -8.230 1.00 0.00 C ATOM 0 H ILE A 365 0.242 1.511 -3.987 1.00 0.00 H new ATOM 0 HA ILE A 365 2.441 -0.027 -4.794 1.00 0.00 H new ATOM 0 HB ILE A 365 1.064 2.480 -5.771 1.00 0.00 H new ATOM 0 HG12 ILE A 365 1.140 -0.442 -6.390 1.00 0.00 H new ATOM 0 HG13 ILE A 365 -0.192 0.689 -6.522 1.00 0.00 H new ATOM 0 HG21 ILE A 365 2.542 2.446 -7.762 1.00 0.00 H new ATOM 0 HG22 ILE A 365 3.471 2.775 -6.280 1.00 0.00 H new ATOM 0 HG23 ILE A 365 3.515 1.155 -7.017 1.00 0.00 H new ATOM 0 HD11 ILE A 365 0.550 -0.057 -8.769 1.00 0.00 H new ATOM 0 HD12 ILE A 365 0.840 1.687 -8.563 1.00 0.00 H new ATOM 0 HD13 ILE A 365 2.193 0.538 -8.429 1.00 0.00 H new ATOM 322 N ARG A 366 3.188 3.006 -3.709 1.00 0.00 N ATOM 323 CA ARG A 366 4.287 3.832 -3.222 1.00 0.00 C ATOM 324 C ARG A 366 4.910 3.213 -1.976 1.00 0.00 C ATOM 325 O ARG A 366 6.133 3.147 -1.848 1.00 0.00 O ATOM 326 CB ARG A 366 3.780 5.238 -2.897 1.00 0.00 C ATOM 327 CG ARG A 366 3.042 5.219 -1.557 1.00 0.00 C ATOM 328 CD ARG A 366 2.406 6.587 -1.304 1.00 0.00 C ATOM 329 NE ARG A 366 3.052 7.604 -2.125 1.00 0.00 N ATOM 330 CZ ARG A 366 4.170 8.202 -1.726 1.00 0.00 C ATOM 331 NH1 ARG A 366 4.707 7.882 -0.580 1.00 0.00 N ATOM 332 NH2 ARG A 366 4.730 9.110 -2.478 1.00 0.00 N ATOM 0 H ARG A 366 2.270 3.448 -3.661 1.00 0.00 H new ATOM 0 HA ARG A 366 5.045 3.892 -4.003 1.00 0.00 H new ATOM 0 HB2 ARG A 366 4.616 5.936 -2.854 1.00 0.00 H new ATOM 0 HB3 ARG A 366 3.114 5.587 -3.686 1.00 0.00 H new ATOM 0 HG2 ARG A 366 2.274 4.445 -1.564 1.00 0.00 H new ATOM 0 HG3 ARG A 366 3.735 4.974 -0.752 1.00 0.00 H new ATOM 0 HD2 ARG A 366 1.341 6.548 -1.532 1.00 0.00 H new ATOM 0 HD3 ARG A 366 2.497 6.849 -0.250 1.00 0.00 H new ATOM 0 HE ARG A 366 2.639 7.861 -3.021 1.00 0.00 H new ATOM 0 HH11 ARG A 366 4.269 7.174 0.008 1.00 0.00 H new ATOM 0 HH12 ARG A 366 5.565 8.340 -0.273 1.00 0.00 H new ATOM 0 HH21 ARG A 366 4.310 9.361 -3.373 1.00 0.00 H new ATOM 0 HH22 ARG A 366 5.588 9.568 -2.171 1.00 0.00 H new ATOM 346 N ASP A 367 4.060 2.761 -1.060 1.00 0.00 N ATOM 347 CA ASP A 367 4.538 2.148 0.174 1.00 0.00 C ATOM 348 C ASP A 367 5.318 0.873 -0.130 1.00 0.00 C ATOM 349 O ASP A 367 6.400 0.651 0.415 1.00 0.00 O ATOM 350 CB ASP A 367 3.356 1.820 1.087 1.00 0.00 C ATOM 351 CG ASP A 367 3.852 1.535 2.499 1.00 0.00 C ATOM 352 OD1 ASP A 367 4.843 2.129 2.890 1.00 0.00 O ATOM 353 OD2 ASP A 367 3.234 0.724 3.171 1.00 0.00 O ATOM 0 H ASP A 367 3.045 2.807 -1.147 1.00 0.00 H new ATOM 0 HA ASP A 367 5.199 2.854 0.677 1.00 0.00 H new ATOM 0 HB2 ASP A 367 2.654 2.654 1.101 1.00 0.00 H new ATOM 0 HB3 ASP A 367 2.816 0.955 0.701 1.00 0.00 H new ATOM 358 N GLN A 368 4.763 0.040 -1.003 1.00 0.00 N ATOM 359 CA GLN A 368 5.416 -1.211 -1.372 1.00 0.00 C ATOM 360 C GLN A 368 6.672 -0.935 -2.188 1.00 0.00 C ATOM 361 O GLN A 368 7.615 -1.727 -2.187 1.00 0.00 O ATOM 362 CB GLN A 368 4.458 -2.084 -2.183 1.00 0.00 C ATOM 363 CG GLN A 368 4.888 -2.088 -3.651 1.00 0.00 C ATOM 364 CD GLN A 368 3.947 -2.966 -4.468 1.00 0.00 C ATOM 365 OE1 GLN A 368 2.785 -2.615 -4.668 1.00 0.00 O ATOM 366 NE2 GLN A 368 4.384 -4.096 -4.956 1.00 0.00 N ATOM 0 H GLN A 368 3.869 0.206 -1.466 1.00 0.00 H new ATOM 0 HA GLN A 368 5.696 -1.736 -0.459 1.00 0.00 H new ATOM 0 HB2 GLN A 368 4.456 -3.101 -1.791 1.00 0.00 H new ATOM 0 HB3 GLN A 368 3.440 -1.706 -2.093 1.00 0.00 H new ATOM 0 HG2 GLN A 368 4.882 -1.071 -4.043 1.00 0.00 H new ATOM 0 HG3 GLN A 368 5.910 -2.457 -3.738 1.00 0.00 H new ATOM 0 HE21 GLN A 368 5.348 -4.385 -4.789 1.00 0.00 H new ATOM 0 HE22 GLN A 368 3.761 -4.689 -5.504 1.00 0.00 H new ATOM 375 N ASP A 369 6.678 0.194 -2.883 1.00 0.00 N ATOM 376 CA ASP A 369 7.823 0.573 -3.703 1.00 0.00 C ATOM 377 C ASP A 369 8.982 1.022 -2.824 1.00 0.00 C ATOM 378 O ASP A 369 10.142 0.720 -3.104 1.00 0.00 O ATOM 379 CB ASP A 369 7.432 1.704 -4.656 1.00 0.00 C ATOM 380 CG ASP A 369 7.509 1.219 -6.100 1.00 0.00 C ATOM 381 OD1 ASP A 369 7.816 2.027 -6.961 1.00 0.00 O ATOM 382 OD2 ASP A 369 7.259 0.045 -6.324 1.00 0.00 O ATOM 0 H ASP A 369 5.907 0.862 -2.896 1.00 0.00 H new ATOM 0 HA ASP A 369 8.136 -0.295 -4.282 1.00 0.00 H new ATOM 0 HB2 ASP A 369 6.422 2.046 -4.432 1.00 0.00 H new ATOM 0 HB3 ASP A 369 8.096 2.556 -4.514 1.00 0.00 H new ATOM 387 N ARG A 370 8.658 1.744 -1.758 1.00 0.00 N ATOM 388 CA ARG A 370 9.679 2.231 -0.838 1.00 0.00 C ATOM 389 C ARG A 370 10.205 1.091 0.027 1.00 0.00 C ATOM 390 O ARG A 370 11.400 1.014 0.313 1.00 0.00 O ATOM 391 CB ARG A 370 9.095 3.326 0.058 1.00 0.00 C ATOM 392 CG ARG A 370 8.846 4.586 -0.774 1.00 0.00 C ATOM 393 CD ARG A 370 9.330 5.813 0.000 1.00 0.00 C ATOM 394 NE ARG A 370 10.614 6.265 -0.521 1.00 0.00 N ATOM 395 CZ ARG A 370 10.693 6.940 -1.664 1.00 0.00 C ATOM 396 NH1 ARG A 370 9.611 7.209 -2.338 1.00 0.00 N ATOM 397 NH2 ARG A 370 11.855 7.333 -2.110 1.00 0.00 N ATOM 0 H ARG A 370 7.703 2.004 -1.510 1.00 0.00 H new ATOM 0 HA ARG A 370 10.503 2.641 -1.422 1.00 0.00 H new ATOM 0 HB2 ARG A 370 8.163 2.984 0.508 1.00 0.00 H new ATOM 0 HB3 ARG A 370 9.781 3.547 0.875 1.00 0.00 H new ATOM 0 HG2 ARG A 370 9.370 4.514 -1.727 1.00 0.00 H new ATOM 0 HG3 ARG A 370 7.784 4.681 -1.000 1.00 0.00 H new ATOM 0 HD2 ARG A 370 8.595 6.614 -0.079 1.00 0.00 H new ATOM 0 HD3 ARG A 370 9.424 5.570 1.058 1.00 0.00 H new ATOM 0 HE ARG A 370 11.467 6.060 0.000 1.00 0.00 H new ATOM 0 HH11 ARG A 370 8.703 6.902 -1.989 1.00 0.00 H new ATOM 0 HH12 ARG A 370 9.672 7.727 -3.215 1.00 0.00 H new ATOM 0 HH21 ARG A 370 12.702 7.122 -1.582 1.00 0.00 H new ATOM 0 HH22 ARG A 370 11.916 7.851 -2.987 1.00 0.00 H new ATOM 411 N ASN A 371 9.304 0.205 0.441 1.00 0.00 N ATOM 412 CA ASN A 371 9.688 -0.930 1.272 1.00 0.00 C ATOM 413 C ASN A 371 10.553 -1.904 0.482 1.00 0.00 C ATOM 414 O ASN A 371 11.598 -2.349 0.957 1.00 0.00 O ATOM 415 CB ASN A 371 8.437 -1.650 1.782 1.00 0.00 C ATOM 416 CG ASN A 371 8.487 -3.122 1.388 1.00 0.00 C ATOM 417 OD1 ASN A 371 9.182 -3.913 2.026 1.00 0.00 O ATOM 418 ND2 ASN A 371 7.785 -3.539 0.370 1.00 0.00 N ATOM 0 H ASN A 371 8.310 0.251 0.216 1.00 0.00 H new ATOM 0 HA ASN A 371 10.264 -0.558 2.120 1.00 0.00 H new ATOM 0 HB2 ASN A 371 8.370 -1.557 2.866 1.00 0.00 H new ATOM 0 HB3 ASN A 371 7.544 -1.184 1.366 1.00 0.00 H new ATOM 0 HD21 ASN A 371 7.811 -4.523 0.101 1.00 0.00 H new ATOM 0 HD22 ASN A 371 7.210 -2.881 -0.157 1.00 0.00 H new ATOM 425 N THR A 372 10.111 -2.235 -0.728 1.00 0.00 N ATOM 426 CA THR A 372 10.857 -3.159 -1.576 1.00 0.00 C ATOM 427 C THR A 372 12.179 -2.538 -2.013 1.00 0.00 C ATOM 428 O THR A 372 13.228 -3.178 -1.945 1.00 0.00 O ATOM 429 CB THR A 372 10.027 -3.521 -2.809 1.00 0.00 C ATOM 430 OG1 THR A 372 9.565 -4.860 -2.692 1.00 0.00 O ATOM 431 CG2 THR A 372 10.890 -3.385 -4.065 1.00 0.00 C ATOM 0 H THR A 372 9.248 -1.881 -1.140 1.00 0.00 H new ATOM 0 HA THR A 372 11.067 -4.061 -1.002 1.00 0.00 H new ATOM 0 HB THR A 372 9.173 -2.847 -2.883 1.00 0.00 H new ATOM 0 HG1 THR A 372 9.032 -5.092 -3.481 1.00 0.00 H new ATOM 0 HG21 THR A 372 10.298 -3.643 -4.943 1.00 0.00 H new ATOM 0 HG22 THR A 372 11.243 -2.358 -4.155 1.00 0.00 H new ATOM 0 HG23 THR A 372 11.745 -4.057 -3.994 1.00 0.00 H new ATOM 439 N ARG A 373 12.120 -1.288 -2.462 1.00 0.00 N ATOM 440 CA ARG A 373 13.319 -0.589 -2.907 1.00 0.00 C ATOM 441 C ARG A 373 14.326 -0.473 -1.768 1.00 0.00 C ATOM 442 O ARG A 373 15.532 -0.606 -1.976 1.00 0.00 O ATOM 443 CB ARG A 373 12.952 0.807 -3.412 1.00 0.00 C ATOM 444 CG ARG A 373 12.547 0.729 -4.885 1.00 0.00 C ATOM 445 CD ARG A 373 13.716 0.184 -5.708 1.00 0.00 C ATOM 446 NE ARG A 373 13.738 0.807 -7.026 1.00 0.00 N ATOM 447 CZ ARG A 373 13.959 2.110 -7.166 1.00 0.00 C ATOM 448 NH1 ARG A 373 14.161 2.855 -6.112 1.00 0.00 N ATOM 449 NH2 ARG A 373 13.975 2.646 -8.356 1.00 0.00 N ATOM 0 H ARG A 373 11.261 -0.742 -2.527 1.00 0.00 H new ATOM 0 HA ARG A 373 13.771 -1.161 -3.718 1.00 0.00 H new ATOM 0 HB2 ARG A 373 12.133 1.215 -2.820 1.00 0.00 H new ATOM 0 HB3 ARG A 373 13.799 1.482 -3.292 1.00 0.00 H new ATOM 0 HG2 ARG A 373 11.676 0.084 -5.000 1.00 0.00 H new ATOM 0 HG3 ARG A 373 12.262 1.717 -5.248 1.00 0.00 H new ATOM 0 HD2 ARG A 373 14.656 0.377 -5.191 1.00 0.00 H new ATOM 0 HD3 ARG A 373 13.625 -0.897 -5.810 1.00 0.00 H new ATOM 0 HE ARG A 373 13.581 0.233 -7.855 1.00 0.00 H new ATOM 0 HH11 ARG A 373 14.149 2.437 -5.182 1.00 0.00 H new ATOM 0 HH12 ARG A 373 14.331 3.855 -6.219 1.00 0.00 H new ATOM 0 HH21 ARG A 373 13.818 2.065 -9.179 1.00 0.00 H new ATOM 0 HH22 ARG A 373 14.145 3.646 -8.463 1.00 0.00 H new ATOM 463 N ARG A 374 13.823 -0.224 -0.563 1.00 0.00 N ATOM 464 CA ARG A 374 14.688 -0.090 0.603 1.00 0.00 C ATOM 465 C ARG A 374 15.269 -1.444 0.997 1.00 0.00 C ATOM 466 O ARG A 374 16.424 -1.538 1.412 1.00 0.00 O ATOM 467 CB ARG A 374 13.898 0.490 1.776 1.00 0.00 C ATOM 468 CG ARG A 374 14.126 2.002 1.849 1.00 0.00 C ATOM 469 CD ARG A 374 14.844 2.349 3.153 1.00 0.00 C ATOM 470 NE ARG A 374 13.914 2.958 4.095 1.00 0.00 N ATOM 471 CZ ARG A 374 13.294 4.098 3.810 1.00 0.00 C ATOM 472 NH1 ARG A 374 13.513 4.692 2.670 1.00 0.00 N ATOM 473 NH2 ARG A 374 12.463 4.623 4.669 1.00 0.00 N ATOM 0 H ARG A 374 12.828 -0.112 -0.369 1.00 0.00 H new ATOM 0 HA ARG A 374 15.506 0.584 0.349 1.00 0.00 H new ATOM 0 HB2 ARG A 374 12.836 0.277 1.653 1.00 0.00 H new ATOM 0 HB3 ARG A 374 14.212 0.019 2.708 1.00 0.00 H new ATOM 0 HG2 ARG A 374 14.719 2.332 0.996 1.00 0.00 H new ATOM 0 HG3 ARG A 374 13.172 2.527 1.796 1.00 0.00 H new ATOM 0 HD2 ARG A 374 15.276 1.448 3.589 1.00 0.00 H new ATOM 0 HD3 ARG A 374 15.668 3.033 2.951 1.00 0.00 H new ATOM 0 HE ARG A 374 13.736 2.501 4.989 1.00 0.00 H new ATOM 0 HH11 ARG A 374 14.160 4.281 1.997 1.00 0.00 H new ATOM 0 HH12 ARG A 374 13.037 5.567 2.451 1.00 0.00 H new ATOM 0 HH21 ARG A 374 12.289 4.158 5.560 1.00 0.00 H new ATOM 0 HH22 ARG A 374 11.988 5.498 4.449 1.00 0.00 H new ATOM 487 N MET A 375 14.459 -2.491 0.866 1.00 0.00 N ATOM 488 CA MET A 375 14.906 -3.835 1.214 1.00 0.00 C ATOM 489 C MET A 375 15.761 -4.425 0.099 1.00 0.00 C ATOM 490 O MET A 375 16.631 -5.260 0.345 1.00 0.00 O ATOM 491 CB MET A 375 13.696 -4.739 1.466 1.00 0.00 C ATOM 492 CG MET A 375 12.929 -4.237 2.691 1.00 0.00 C ATOM 493 SD MET A 375 13.279 -5.315 4.103 1.00 0.00 S ATOM 494 CE MET A 375 13.730 -4.013 5.275 1.00 0.00 C ATOM 0 H MET A 375 13.499 -2.436 0.525 1.00 0.00 H new ATOM 0 HA MET A 375 15.508 -3.772 2.120 1.00 0.00 H new ATOM 0 HB2 MET A 375 13.044 -4.744 0.592 1.00 0.00 H new ATOM 0 HB3 MET A 375 14.023 -5.767 1.625 1.00 0.00 H new ATOM 0 HG2 MET A 375 13.220 -3.212 2.921 1.00 0.00 H new ATOM 0 HG3 MET A 375 11.859 -4.226 2.484 1.00 0.00 H new ATOM 0 HE1 MET A 375 13.989 -4.461 6.235 1.00 0.00 H new ATOM 0 HE2 MET A 375 14.586 -3.458 4.891 1.00 0.00 H new ATOM 0 HE3 MET A 375 12.887 -3.334 5.407 1.00 0.00 H new