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 Single : A 361 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 363 LYS NZ :NH3+ -149:sc= -0.345 (180deg=-1.66!) USER MOD Single : A 364 LYS NZ :NH3+ -118:sc= -1.23 (180deg=-3.31!) USER MOD Single : A 368 GLN :FLIP amide:sc= -0.0419 F(o=-1.8!,f=-0.042) USER MOD Single : A 371 ASN : amide:sc= -0.212 K(o=-0.21,f=-1.1!) 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 -5.702 7.232 -4.853 1.00 0.00 N ATOM 203 CA ALA A 359 -4.943 7.489 -3.635 1.00 0.00 C ATOM 204 C ALA A 359 -4.563 6.180 -2.951 1.00 0.00 C ATOM 205 O ALA A 359 -3.408 5.976 -2.578 1.00 0.00 O ATOM 206 CB ALA A 359 -5.771 8.347 -2.676 1.00 0.00 C ATOM 0 HA ALA A 359 -4.031 8.021 -3.904 1.00 0.00 H new ATOM 0 HB1 ALA A 359 -5.197 8.535 -1.768 1.00 0.00 H new ATOM 0 HB2 ALA A 359 -6.014 9.296 -3.154 1.00 0.00 H new ATOM 0 HB3 ALA A 359 -6.692 7.822 -2.421 1.00 0.00 H new ATOM 212 N GLU A 360 -5.544 5.297 -2.790 1.00 0.00 N ATOM 213 CA GLU A 360 -5.301 4.011 -2.151 1.00 0.00 C ATOM 214 C GLU A 360 -4.279 3.200 -2.942 1.00 0.00 C ATOM 215 O GLU A 360 -3.351 2.627 -2.372 1.00 0.00 O ATOM 216 CB GLU A 360 -6.607 3.229 -2.047 1.00 0.00 C ATOM 217 CG GLU A 360 -7.320 3.595 -0.745 1.00 0.00 C ATOM 218 CD GLU A 360 -7.776 2.331 -0.025 1.00 0.00 C ATOM 219 OE1 GLU A 360 -6.921 1.573 0.400 1.00 0.00 O ATOM 220 OE2 GLU A 360 -8.976 2.139 0.092 1.00 0.00 O ATOM 0 H GLU A 360 -6.507 5.448 -3.091 1.00 0.00 H new ATOM 0 HA GLU A 360 -4.904 4.192 -1.152 1.00 0.00 H new ATOM 0 HB2 GLU A 360 -7.247 3.455 -2.900 1.00 0.00 H new ATOM 0 HB3 GLU A 360 -6.405 2.158 -2.075 1.00 0.00 H new ATOM 0 HG2 GLU A 360 -6.650 4.167 -0.103 1.00 0.00 H new ATOM 0 HG3 GLU A 360 -8.179 4.232 -0.958 1.00 0.00 H new ATOM 227 N MET A 361 -4.459 3.157 -4.258 1.00 0.00 N ATOM 228 CA MET A 361 -3.546 2.414 -5.119 1.00 0.00 C ATOM 229 C MET A 361 -2.135 2.986 -5.025 1.00 0.00 C ATOM 230 O MET A 361 -1.170 2.251 -4.822 1.00 0.00 O ATOM 231 CB MET A 361 -4.028 2.476 -6.570 1.00 0.00 C ATOM 232 CG MET A 361 -5.186 1.497 -6.766 1.00 0.00 C ATOM 233 SD MET A 361 -5.072 0.749 -8.410 1.00 0.00 S ATOM 234 CE MET A 361 -5.250 -0.974 -7.889 1.00 0.00 C ATOM 0 H MET A 361 -5.222 3.624 -4.748 1.00 0.00 H new ATOM 0 HA MET A 361 -3.528 1.376 -4.787 1.00 0.00 H new ATOM 0 HB2 MET A 361 -4.349 3.489 -6.815 1.00 0.00 H new ATOM 0 HB3 MET A 361 -3.210 2.228 -7.247 1.00 0.00 H new ATOM 0 HG2 MET A 361 -5.155 0.723 -6.000 1.00 0.00 H new ATOM 0 HG3 MET A 361 -6.138 2.016 -6.656 1.00 0.00 H new ATOM 0 HE1 MET A 361 -5.208 -1.624 -8.763 1.00 0.00 H new ATOM 0 HE2 MET A 361 -4.442 -1.233 -7.205 1.00 0.00 H new ATOM 0 HE3 MET A 361 -6.208 -1.105 -7.385 1.00 0.00 H new ATOM 244 N GLU A 362 -2.026 4.302 -5.171 1.00 0.00 N ATOM 245 CA GLU A 362 -0.729 4.963 -5.100 1.00 0.00 C ATOM 246 C GLU A 362 -0.136 4.828 -3.701 1.00 0.00 C ATOM 247 O GLU A 362 1.083 4.793 -3.535 1.00 0.00 O ATOM 248 CB GLU A 362 -0.877 6.445 -5.452 1.00 0.00 C ATOM 249 CG GLU A 362 -1.307 6.582 -6.914 1.00 0.00 C ATOM 250 CD GLU A 362 -1.643 8.037 -7.224 1.00 0.00 C ATOM 251 OE1 GLU A 362 -2.815 8.332 -7.388 1.00 0.00 O ATOM 252 OE2 GLU A 362 -0.723 8.834 -7.295 1.00 0.00 O ATOM 0 H GLU A 362 -2.814 4.928 -5.338 1.00 0.00 H new ATOM 0 HA GLU A 362 -0.059 4.485 -5.815 1.00 0.00 H new ATOM 0 HB2 GLU A 362 -1.614 6.913 -4.800 1.00 0.00 H new ATOM 0 HB3 GLU A 362 0.067 6.964 -5.289 1.00 0.00 H new ATOM 0 HG2 GLU A 362 -0.508 6.237 -7.571 1.00 0.00 H new ATOM 0 HG3 GLU A 362 -2.174 5.951 -7.107 1.00 0.00 H new ATOM 259 N LYS A 363 -1.006 4.750 -2.700 1.00 0.00 N ATOM 260 CA LYS A 363 -0.557 4.618 -1.318 1.00 0.00 C ATOM 261 C LYS A 363 0.122 3.268 -1.105 1.00 0.00 C ATOM 262 O LYS A 363 1.222 3.196 -0.557 1.00 0.00 O ATOM 263 CB LYS A 363 -1.747 4.751 -0.368 1.00 0.00 C ATOM 264 CG LYS A 363 -1.448 5.826 0.678 1.00 0.00 C ATOM 265 CD LYS A 363 -0.783 5.182 1.897 1.00 0.00 C ATOM 266 CE LYS A 363 0.037 6.233 2.647 1.00 0.00 C ATOM 267 NZ LYS A 363 1.033 6.841 1.719 1.00 0.00 N ATOM 0 H LYS A 363 -2.019 4.776 -2.817 1.00 0.00 H new ATOM 0 HA LYS A 363 0.162 5.410 -1.109 1.00 0.00 H new ATOM 0 HB2 LYS A 363 -2.645 5.013 -0.928 1.00 0.00 H new ATOM 0 HB3 LYS A 363 -1.943 3.797 0.121 1.00 0.00 H new ATOM 0 HG2 LYS A 363 -0.794 6.589 0.255 1.00 0.00 H new ATOM 0 HG3 LYS A 363 -2.370 6.326 0.975 1.00 0.00 H new ATOM 0 HD2 LYS A 363 -1.541 4.758 2.556 1.00 0.00 H new ATOM 0 HD3 LYS A 363 -0.140 4.361 1.582 1.00 0.00 H new ATOM 0 HE2 LYS A 363 -0.620 7.004 3.048 1.00 0.00 H new ATOM 0 HE3 LYS A 363 0.546 5.775 3.495 1.00 0.00 H new ATOM 0 HZ1 LYS A 363 1.881 7.120 2.253 1.00 0.00 H new ATOM 0 HZ2 LYS A 363 1.296 6.148 0.990 1.00 0.00 H new ATOM 0 HZ3 LYS A 363 0.618 7.680 1.266 1.00 0.00 H new ATOM 281 N LYS A 364 -0.542 2.202 -1.537 1.00 0.00 N ATOM 282 CA LYS A 364 0.005 0.860 -1.387 1.00 0.00 C ATOM 283 C LYS A 364 1.229 0.678 -2.278 1.00 0.00 C ATOM 284 O LYS A 364 2.283 0.236 -1.821 1.00 0.00 O ATOM 285 CB LYS A 364 -1.054 -0.181 -1.752 1.00 0.00 C ATOM 286 CG LYS A 364 -2.284 0.007 -0.863 1.00 0.00 C ATOM 287 CD LYS A 364 -3.327 -1.060 -1.200 1.00 0.00 C ATOM 288 CE LYS A 364 -3.423 -1.220 -2.718 1.00 0.00 C ATOM 289 NZ LYS A 364 -2.450 -2.253 -3.173 1.00 0.00 N ATOM 0 H LYS A 364 -1.454 2.241 -1.991 1.00 0.00 H new ATOM 0 HA LYS A 364 0.303 0.724 -0.347 1.00 0.00 H new ATOM 0 HB2 LYS A 364 -1.332 -0.080 -2.801 1.00 0.00 H new ATOM 0 HB3 LYS A 364 -0.650 -1.186 -1.625 1.00 0.00 H new ATOM 0 HG2 LYS A 364 -2.001 -0.065 0.187 1.00 0.00 H new ATOM 0 HG3 LYS A 364 -2.705 1.001 -1.012 1.00 0.00 H new ATOM 0 HD2 LYS A 364 -3.053 -2.010 -0.740 1.00 0.00 H new ATOM 0 HD3 LYS A 364 -4.297 -0.777 -0.792 1.00 0.00 H new ATOM 0 HE2 LYS A 364 -4.435 -1.510 -3.000 1.00 0.00 H new ATOM 0 HE3 LYS A 364 -3.215 -0.269 -3.208 1.00 0.00 H new ATOM 0 HZ1 LYS A 364 -1.758 -1.819 -3.816 1.00 0.00 H new ATOM 0 HZ2 LYS A 364 -1.955 -2.650 -2.349 1.00 0.00 H new ATOM 0 HZ3 LYS A 364 -2.957 -3.012 -3.671 1.00 0.00 H new ATOM 303 N ILE A 365 1.082 1.024 -3.553 1.00 0.00 N ATOM 304 CA ILE A 365 2.183 0.895 -4.502 1.00 0.00 C ATOM 305 C ILE A 365 3.390 1.697 -4.033 1.00 0.00 C ATOM 306 O ILE A 365 4.527 1.233 -4.116 1.00 0.00 O ATOM 307 CB ILE A 365 1.743 1.386 -5.878 1.00 0.00 C ATOM 308 CG1 ILE A 365 0.807 0.355 -6.514 1.00 0.00 C ATOM 309 CG2 ILE A 365 2.971 1.577 -6.770 1.00 0.00 C ATOM 310 CD1 ILE A 365 0.799 0.539 -8.032 1.00 0.00 C ATOM 0 H ILE A 365 0.218 1.393 -3.951 1.00 0.00 H new ATOM 0 HA ILE A 365 2.464 -0.156 -4.565 1.00 0.00 H new ATOM 0 HB ILE A 365 1.219 2.336 -5.772 1.00 0.00 H new ATOM 0 HG12 ILE A 365 1.134 -0.653 -6.261 1.00 0.00 H new ATOM 0 HG13 ILE A 365 -0.202 0.471 -6.118 1.00 0.00 H new ATOM 0 HG21 ILE A 365 2.656 1.928 -7.753 1.00 0.00 H new ATOM 0 HG22 ILE A 365 3.638 2.312 -6.319 1.00 0.00 H new ATOM 0 HG23 ILE A 365 3.496 0.627 -6.875 1.00 0.00 H new ATOM 0 HD11 ILE A 365 0.132 -0.195 -8.484 1.00 0.00 H new ATOM 0 HD12 ILE A 365 0.451 1.543 -8.275 1.00 0.00 H new ATOM 0 HD13 ILE A 365 1.808 0.401 -8.421 1.00 0.00 H new ATOM 322 N ARG A 366 3.137 2.905 -3.540 1.00 0.00 N ATOM 323 CA ARG A 366 4.211 3.765 -3.062 1.00 0.00 C ATOM 324 C ARG A 366 4.890 3.147 -1.843 1.00 0.00 C ATOM 325 O ARG A 366 6.117 3.101 -1.760 1.00 0.00 O ATOM 326 CB ARG A 366 3.654 5.142 -2.693 1.00 0.00 C ATOM 327 CG ARG A 366 3.551 6.004 -3.952 1.00 0.00 C ATOM 328 CD ARG A 366 3.598 7.484 -3.564 1.00 0.00 C ATOM 329 NE ARG A 366 4.945 7.853 -3.145 1.00 0.00 N ATOM 330 CZ ARG A 366 5.958 7.848 -4.004 1.00 0.00 C ATOM 331 NH1 ARG A 366 5.757 7.509 -5.248 1.00 0.00 N ATOM 332 NH2 ARG A 366 7.156 8.183 -3.605 1.00 0.00 N ATOM 0 H ARG A 366 2.203 3.308 -3.462 1.00 0.00 H new ATOM 0 HA ARG A 366 4.946 3.872 -3.859 1.00 0.00 H new ATOM 0 HB2 ARG A 366 2.673 5.037 -2.230 1.00 0.00 H new ATOM 0 HB3 ARG A 366 4.302 5.624 -1.961 1.00 0.00 H new ATOM 0 HG2 ARG A 366 4.369 5.770 -4.634 1.00 0.00 H new ATOM 0 HG3 ARG A 366 2.623 5.785 -4.480 1.00 0.00 H new ATOM 0 HD2 ARG A 366 3.291 8.099 -4.410 1.00 0.00 H new ATOM 0 HD3 ARG A 366 2.892 7.678 -2.756 1.00 0.00 H new ATOM 0 HE ARG A 366 5.112 8.120 -2.175 1.00 0.00 H new ATOM 0 HH11 ARG A 366 4.822 7.248 -5.561 1.00 0.00 H new ATOM 0 HH12 ARG A 366 6.535 7.505 -5.908 1.00 0.00 H new ATOM 0 HH21 ARG A 366 7.314 8.449 -2.633 1.00 0.00 H new ATOM 0 HH22 ARG A 366 7.933 8.179 -4.265 1.00 0.00 H new ATOM 346 N ASP A 367 4.082 2.673 -0.903 1.00 0.00 N ATOM 347 CA ASP A 367 4.614 2.058 0.308 1.00 0.00 C ATOM 348 C ASP A 367 5.356 0.770 -0.028 1.00 0.00 C ATOM 349 O ASP A 367 6.461 0.532 0.461 1.00 0.00 O ATOM 350 CB ASP A 367 3.475 1.754 1.283 1.00 0.00 C ATOM 351 CG ASP A 367 4.021 1.647 2.704 1.00 0.00 C ATOM 352 OD1 ASP A 367 3.586 2.417 3.543 1.00 0.00 O ATOM 353 OD2 ASP A 367 4.866 0.798 2.930 1.00 0.00 O ATOM 0 H ASP A 367 3.064 2.702 -0.954 1.00 0.00 H new ATOM 0 HA ASP A 367 5.312 2.756 0.771 1.00 0.00 H new ATOM 0 HB2 ASP A 367 2.722 2.540 1.232 1.00 0.00 H new ATOM 0 HB3 ASP A 367 2.983 0.823 1.002 1.00 0.00 H new ATOM 358 N GLN A 368 4.744 -0.059 -0.867 1.00 0.00 N ATOM 359 CA GLN A 368 5.358 -1.322 -1.261 1.00 0.00 C ATOM 360 C GLN A 368 6.601 -1.069 -2.105 1.00 0.00 C ATOM 361 O GLN A 368 7.523 -1.884 -2.132 1.00 0.00 O ATOM 362 CB GLN A 368 4.360 -2.165 -2.058 1.00 0.00 C ATOM 363 CG GLN A 368 3.843 -3.306 -1.181 1.00 0.00 C ATOM 364 CD GLN A 368 3.021 -4.279 -2.022 1.00 0.00 C ATOM 365 OE1 GLN A 368 3.054 -4.190 -3.323 1.00 0.00 O flip ATOM 366 NE2 GLN A 368 2.331 -5.140 -1.477 1.00 0.00 N flip ATOM 0 H GLN A 368 3.830 0.119 -1.285 1.00 0.00 H new ATOM 0 HA GLN A 368 5.646 -1.861 -0.359 1.00 0.00 H new ATOM 0 HB2 GLN A 368 3.529 -1.544 -2.393 1.00 0.00 H new ATOM 0 HB3 GLN A 368 4.838 -2.567 -2.951 1.00 0.00 H new ATOM 0 HG2 GLN A 368 4.680 -3.829 -0.719 1.00 0.00 H new ATOM 0 HG3 GLN A 368 3.232 -2.906 -0.372 1.00 0.00 H new ATOM 0 HE21 GLN A 368 2.308 -5.206 -0.459 1.00 0.00 H new ATOM 0 HE22 GLN A 368 1.782 -5.787 -2.043 1.00 0.00 H new ATOM 375 N ASP A 369 6.618 0.068 -2.789 1.00 0.00 N ATOM 376 CA ASP A 369 7.752 0.427 -3.630 1.00 0.00 C ATOM 377 C ASP A 369 8.927 0.883 -2.775 1.00 0.00 C ATOM 378 O ASP A 369 10.081 0.552 -3.053 1.00 0.00 O ATOM 379 CB ASP A 369 7.356 1.546 -4.595 1.00 0.00 C ATOM 380 CG ASP A 369 6.813 0.950 -5.890 1.00 0.00 C ATOM 381 OD1 ASP A 369 7.209 -0.156 -6.221 1.00 0.00 O ATOM 382 OD2 ASP A 369 6.013 1.609 -6.533 1.00 0.00 O ATOM 0 H ASP A 369 5.863 0.754 -2.778 1.00 0.00 H new ATOM 0 HA ASP A 369 8.050 -0.453 -4.200 1.00 0.00 H new ATOM 0 HB2 ASP A 369 6.602 2.185 -4.135 1.00 0.00 H new ATOM 0 HB3 ASP A 369 8.220 2.176 -4.809 1.00 0.00 H new ATOM 387 N ARG A 370 8.625 1.645 -1.731 1.00 0.00 N ATOM 388 CA ARG A 370 9.661 2.144 -0.835 1.00 0.00 C ATOM 389 C ARG A 370 10.217 1.011 0.020 1.00 0.00 C ATOM 390 O ARG A 370 11.412 0.975 0.320 1.00 0.00 O ATOM 391 CB ARG A 370 9.085 3.235 0.073 1.00 0.00 C ATOM 392 CG ARG A 370 9.482 4.609 -0.469 1.00 0.00 C ATOM 393 CD ARG A 370 10.784 5.064 0.195 1.00 0.00 C ATOM 394 NE ARG A 370 10.855 6.521 0.220 1.00 0.00 N ATOM 395 CZ ARG A 370 10.115 7.231 1.065 1.00 0.00 C ATOM 396 NH1 ARG A 370 9.307 6.626 1.893 1.00 0.00 N ATOM 397 NH2 ARG A 370 10.197 8.532 1.069 1.00 0.00 N ATOM 0 H ARG A 370 7.677 1.930 -1.485 1.00 0.00 H new ATOM 0 HA ARG A 370 10.468 2.561 -1.437 1.00 0.00 H new ATOM 0 HB2 ARG A 370 7.999 3.150 0.119 1.00 0.00 H new ATOM 0 HB3 ARG A 370 9.458 3.111 1.090 1.00 0.00 H new ATOM 0 HG2 ARG A 370 9.610 4.562 -1.550 1.00 0.00 H new ATOM 0 HG3 ARG A 370 8.690 5.332 -0.273 1.00 0.00 H new ATOM 0 HD2 ARG A 370 10.839 4.673 1.211 1.00 0.00 H new ATOM 0 HD3 ARG A 370 11.638 4.660 -0.349 1.00 0.00 H new ATOM 0 HE ARG A 370 11.484 7.003 -0.422 1.00 0.00 H new ATOM 0 HH11 ARG A 370 9.244 5.608 1.891 1.00 0.00 H new ATOM 0 HH12 ARG A 370 8.739 7.171 2.541 1.00 0.00 H new ATOM 0 HH21 ARG A 370 10.829 9.005 0.423 1.00 0.00 H new ATOM 0 HH22 ARG A 370 9.629 9.077 1.718 1.00 0.00 H new ATOM 411 N ASN A 371 9.346 0.086 0.408 1.00 0.00 N ATOM 412 CA ASN A 371 9.762 -1.047 1.225 1.00 0.00 C ATOM 413 C ASN A 371 10.591 -2.026 0.401 1.00 0.00 C ATOM 414 O ASN A 371 11.677 -2.435 0.812 1.00 0.00 O ATOM 415 CB ASN A 371 8.533 -1.763 1.791 1.00 0.00 C ATOM 416 CG ASN A 371 8.322 -1.364 3.247 1.00 0.00 C ATOM 417 OD1 ASN A 371 9.286 -1.209 3.996 1.00 0.00 O ATOM 418 ND2 ASN A 371 7.109 -1.188 3.696 1.00 0.00 N ATOM 0 H ASN A 371 8.354 0.098 0.172 1.00 0.00 H new ATOM 0 HA ASN A 371 10.374 -0.674 2.046 1.00 0.00 H new ATOM 0 HB2 ASN A 371 7.651 -1.508 1.204 1.00 0.00 H new ATOM 0 HB3 ASN A 371 8.664 -2.842 1.716 1.00 0.00 H new ATOM 0 HD21 ASN A 371 6.959 -0.922 4.669 1.00 0.00 H new ATOM 0 HD22 ASN A 371 6.311 -1.317 3.074 1.00 0.00 H new ATOM 425 N THR A 372 10.072 -2.397 -0.766 1.00 0.00 N ATOM 426 CA THR A 372 10.776 -3.328 -1.639 1.00 0.00 C ATOM 427 C THR A 372 12.114 -2.743 -2.078 1.00 0.00 C ATOM 428 O THR A 372 13.142 -3.417 -2.031 1.00 0.00 O ATOM 429 CB THR A 372 9.923 -3.634 -2.873 1.00 0.00 C ATOM 430 OG1 THR A 372 9.424 -4.962 -2.784 1.00 0.00 O ATOM 431 CG2 THR A 372 10.775 -3.490 -4.135 1.00 0.00 C ATOM 0 H THR A 372 9.175 -2.070 -1.126 1.00 0.00 H new ATOM 0 HA THR A 372 10.958 -4.249 -1.085 1.00 0.00 H new ATOM 0 HB THR A 372 9.089 -2.934 -2.921 1.00 0.00 H new ATOM 0 HG1 THR A 372 8.876 -5.159 -3.572 1.00 0.00 H new ATOM 0 HG21 THR A 372 10.166 -3.708 -5.012 1.00 0.00 H new ATOM 0 HG22 THR A 372 11.156 -2.471 -4.202 1.00 0.00 H new ATOM 0 HG23 THR A 372 11.611 -4.188 -4.091 1.00 0.00 H new ATOM 439 N ARG A 373 12.093 -1.482 -2.500 1.00 0.00 N ATOM 440 CA ARG A 373 13.312 -0.815 -2.942 1.00 0.00 C ATOM 441 C ARG A 373 14.272 -0.628 -1.771 1.00 0.00 C ATOM 442 O ARG A 373 15.487 -0.752 -1.925 1.00 0.00 O ATOM 443 CB ARG A 373 12.972 0.547 -3.549 1.00 0.00 C ATOM 444 CG ARG A 373 12.540 0.364 -5.005 1.00 0.00 C ATOM 445 CD ARG A 373 13.696 0.737 -5.932 1.00 0.00 C ATOM 446 NE ARG A 373 13.185 1.263 -7.192 1.00 0.00 N ATOM 447 CZ ARG A 373 12.589 0.468 -8.076 1.00 0.00 C ATOM 448 NH1 ARG A 373 12.454 -0.805 -7.822 1.00 0.00 N ATOM 449 NH2 ARG A 373 12.138 0.962 -9.197 1.00 0.00 N ATOM 0 H ARG A 373 11.252 -0.906 -2.545 1.00 0.00 H new ATOM 0 HA ARG A 373 13.793 -1.437 -3.697 1.00 0.00 H new ATOM 0 HB2 ARG A 373 12.174 1.022 -2.979 1.00 0.00 H new ATOM 0 HB3 ARG A 373 13.838 1.207 -3.496 1.00 0.00 H new ATOM 0 HG2 ARG A 373 12.240 -0.669 -5.179 1.00 0.00 H new ATOM 0 HG3 ARG A 373 11.673 0.988 -5.219 1.00 0.00 H new ATOM 0 HD2 ARG A 373 14.332 1.480 -5.451 1.00 0.00 H new ATOM 0 HD3 ARG A 373 14.317 -0.139 -6.121 1.00 0.00 H new ATOM 0 HE ARG A 373 13.286 2.257 -7.399 1.00 0.00 H new ATOM 0 HH11 ARG A 373 12.806 -1.190 -6.945 1.00 0.00 H new ATOM 0 HH12 ARG A 373 11.997 -1.415 -8.500 1.00 0.00 H new ATOM 0 HH21 ARG A 373 12.243 1.957 -9.395 1.00 0.00 H new ATOM 0 HH22 ARG A 373 11.681 0.353 -9.875 1.00 0.00 H new ATOM 463 N ARG A 374 13.717 -0.331 -0.600 1.00 0.00 N ATOM 464 CA ARG A 374 14.534 -0.129 0.590 1.00 0.00 C ATOM 465 C ARG A 374 15.292 -1.407 0.940 1.00 0.00 C ATOM 466 O ARG A 374 16.472 -1.365 1.287 1.00 0.00 O ATOM 467 CB ARG A 374 13.649 0.280 1.769 1.00 0.00 C ATOM 468 CG ARG A 374 13.629 1.805 1.888 1.00 0.00 C ATOM 469 CD ARG A 374 14.906 2.278 2.585 1.00 0.00 C ATOM 470 NE ARG A 374 14.574 3.051 3.776 1.00 0.00 N ATOM 471 CZ ARG A 374 15.426 3.149 4.793 1.00 0.00 C ATOM 472 NH1 ARG A 374 16.583 2.547 4.733 1.00 0.00 N ATOM 473 NH2 ARG A 374 15.106 3.845 5.848 1.00 0.00 N ATOM 0 H ARG A 374 12.714 -0.226 -0.451 1.00 0.00 H new ATOM 0 HA ARG A 374 15.253 0.664 0.385 1.00 0.00 H new ATOM 0 HB2 ARG A 374 12.637 -0.097 1.625 1.00 0.00 H new ATOM 0 HB3 ARG A 374 14.026 -0.162 2.691 1.00 0.00 H new ATOM 0 HG2 ARG A 374 13.553 2.257 0.899 1.00 0.00 H new ATOM 0 HG3 ARG A 374 12.753 2.125 2.453 1.00 0.00 H new ATOM 0 HD2 ARG A 374 15.519 1.419 2.859 1.00 0.00 H new ATOM 0 HD3 ARG A 374 15.498 2.886 1.901 1.00 0.00 H new ATOM 0 HE ARG A 374 13.672 3.525 3.830 1.00 0.00 H new ATOM 0 HH11 ARG A 374 16.832 2.003 3.907 1.00 0.00 H new ATOM 0 HH12 ARG A 374 17.237 2.621 5.512 1.00 0.00 H new ATOM 0 HH21 ARG A 374 14.202 4.315 5.894 1.00 0.00 H new ATOM 0 HH22 ARG A 374 15.760 3.920 6.627 1.00 0.00 H new ATOM 487 N MET A 375 14.604 -2.541 0.844 1.00 0.00 N ATOM 488 CA MET A 375 15.224 -3.824 1.152 1.00 0.00 C ATOM 489 C MET A 375 16.075 -4.300 -0.019 1.00 0.00 C ATOM 490 O MET A 375 17.012 -5.079 0.157 1.00 0.00 O ATOM 491 CB MET A 375 14.146 -4.866 1.461 1.00 0.00 C ATOM 492 CG MET A 375 13.734 -4.755 2.928 1.00 0.00 C ATOM 493 SD MET A 375 12.855 -6.258 3.424 1.00 0.00 S ATOM 494 CE MET A 375 13.594 -6.419 5.068 1.00 0.00 C ATOM 0 H MET A 375 13.626 -2.597 0.558 1.00 0.00 H new ATOM 0 HA MET A 375 15.865 -3.697 2.025 1.00 0.00 H new ATOM 0 HB2 MET A 375 13.281 -4.711 0.817 1.00 0.00 H new ATOM 0 HB3 MET A 375 14.523 -5.867 1.253 1.00 0.00 H new ATOM 0 HG2 MET A 375 14.615 -4.613 3.554 1.00 0.00 H new ATOM 0 HG3 MET A 375 13.096 -3.883 3.073 1.00 0.00 H new ATOM 0 HE1 MET A 375 13.187 -7.300 5.565 1.00 0.00 H new ATOM 0 HE2 MET A 375 14.675 -6.523 4.972 1.00 0.00 H new ATOM 0 HE3 MET A 375 13.366 -5.531 5.658 1.00 0.00 H new