USER MOD reduce.3.24.130724 H: found=0, std=0, add=512, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 513 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 326 LYS NZ :NH3+ -141:sc= -1.36 (180deg=-3.3!) USER MOD Set 1.2: A 334 GLN : amide:sc= 0.319 K(o=-1,f=-7.1!) USER MOD Set 2.1: A 287 TYR OH : rot -83:sc= 0.867 USER MOD Set 2.2: A 324 HIS : no HE2:sc= -5.04! C(o=-4.2!,f=-9.5!) USER MOD Single : A 281 SER OG : rot 180:sc= 0 USER MOD Single : A 286 LYS NZ :NH3+ -167:sc=-0.00159 (180deg=-0.0771) USER MOD Single : A 288 THR OG1 : rot 180:sc= -0.0345 USER MOD Single : A 289 LYS NZ :NH3+ -174:sc= -2.27 (180deg=-2.48) USER MOD Single : A 293 MET CE :methyl -118:sc= -2.14! (180deg=-3.92!) USER MOD Single : A 295 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 297 TYR OH : rot 180:sc= 0 USER MOD Single : A 315 ASN : amide:sc= -0.256 X(o=-0.26,f=0) USER MOD Single : A 316 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 321 THR OG1 : rot 178:sc= 1.04 USER MOD Single : A 328 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 340 SER OG : rot 95:sc= 0.895 USER MOD Single : A 342 ASN : amide:sc= -0.475 X(o=-0.48,f=0) USER MOD Single : A 346 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 351 SER OG : rot 91:sc= 0.214 USER MOD ----------------------------------------------------------------- ATOM 172 N PRO A 280 10.063 12.607 0.861 1.00 0.00 N ATOM 173 CA PRO A 280 8.795 13.208 1.285 1.00 0.00 C ATOM 174 C PRO A 280 8.760 13.491 2.783 1.00 0.00 C ATOM 175 O PRO A 280 9.749 13.288 3.486 1.00 0.00 O ATOM 176 CB PRO A 280 7.758 12.143 0.917 1.00 0.00 C ATOM 177 CG PRO A 280 8.514 10.860 0.923 1.00 0.00 C ATOM 178 CD PRO A 280 9.906 11.198 0.465 1.00 0.00 C ATOM 0 HA PRO A 280 8.622 14.174 0.810 1.00 0.00 H new ATOM 0 HB2 PRO A 280 6.939 12.123 1.636 1.00 0.00 H new ATOM 0 HB3 PRO A 280 7.319 12.339 -0.061 1.00 0.00 H new ATOM 0 HG2 PRO A 280 8.527 10.419 1.920 1.00 0.00 H new ATOM 0 HG3 PRO A 280 8.051 10.131 0.258 1.00 0.00 H new ATOM 0 HD2 PRO A 280 10.651 10.561 0.942 1.00 0.00 H new ATOM 0 HD3 PRO A 280 10.017 11.068 -0.612 1.00 0.00 H new ATOM 186 N SER A 281 7.614 13.961 3.265 1.00 0.00 N ATOM 187 CA SER A 281 7.451 14.275 4.679 1.00 0.00 C ATOM 188 C SER A 281 7.246 13.004 5.498 1.00 0.00 C ATOM 189 O SER A 281 6.344 12.214 5.223 1.00 0.00 O ATOM 190 CB SER A 281 6.265 15.221 4.880 1.00 0.00 C ATOM 191 OG SER A 281 6.608 16.550 4.527 1.00 0.00 O ATOM 0 H SER A 281 6.785 14.133 2.697 1.00 0.00 H new ATOM 0 HA SER A 281 8.361 14.766 5.024 1.00 0.00 H new ATOM 0 HB2 SER A 281 5.422 14.887 4.275 1.00 0.00 H new ATOM 0 HB3 SER A 281 5.943 15.189 5.921 1.00 0.00 H new ATOM 0 HG SER A 281 5.833 17.135 4.663 1.00 0.00 H new ATOM 197 N ALA A 282 8.091 12.815 6.506 1.00 0.00 N ATOM 198 CA ALA A 282 8.003 11.642 7.367 1.00 0.00 C ATOM 199 C ALA A 282 6.749 11.689 8.233 1.00 0.00 C ATOM 200 O ALA A 282 6.064 10.681 8.404 1.00 0.00 O ATOM 201 CB ALA A 282 9.245 11.533 8.240 1.00 0.00 C ATOM 0 H ALA A 282 8.844 13.459 6.746 1.00 0.00 H new ATOM 0 HA ALA A 282 7.941 10.759 6.730 1.00 0.00 H new ATOM 0 HB1 ALA A 282 9.165 10.653 8.878 1.00 0.00 H new ATOM 0 HB2 ALA A 282 10.128 11.444 7.607 1.00 0.00 H new ATOM 0 HB3 ALA A 282 9.332 12.424 8.861 1.00 0.00 H new ATOM 207 N GLU A 283 6.454 12.866 8.776 1.00 0.00 N ATOM 208 CA GLU A 283 5.282 13.043 9.625 1.00 0.00 C ATOM 209 C GLU A 283 4.048 12.410 8.988 1.00 0.00 C ATOM 210 O GLU A 283 3.137 11.962 9.686 1.00 0.00 O ATOM 211 CB GLU A 283 5.030 14.530 9.883 1.00 0.00 C ATOM 212 CG GLU A 283 4.434 15.262 8.692 1.00 0.00 C ATOM 213 CD GLU A 283 4.762 16.742 8.692 1.00 0.00 C ATOM 214 OE1 GLU A 283 5.860 17.108 8.224 1.00 0.00 O ATOM 215 OE2 GLU A 283 3.919 17.535 9.162 1.00 0.00 O ATOM 0 H GLU A 283 7.010 13.711 8.643 1.00 0.00 H new ATOM 0 HA GLU A 283 5.476 12.545 10.575 1.00 0.00 H new ATOM 0 HB2 GLU A 283 4.359 14.634 10.735 1.00 0.00 H new ATOM 0 HB3 GLU A 283 5.971 15.007 10.158 1.00 0.00 H new ATOM 0 HG2 GLU A 283 4.805 14.812 7.771 1.00 0.00 H new ATOM 0 HG3 GLU A 283 3.352 15.134 8.696 1.00 0.00 H new ATOM 222 N ILE A 284 4.026 12.378 7.660 1.00 0.00 N ATOM 223 CA ILE A 284 2.905 11.800 6.929 1.00 0.00 C ATOM 224 C ILE A 284 3.115 10.308 6.691 1.00 0.00 C ATOM 225 O ILE A 284 2.252 9.490 7.010 1.00 0.00 O ATOM 226 CB ILE A 284 2.696 12.500 5.573 1.00 0.00 C ATOM 227 CG1 ILE A 284 2.750 14.020 5.746 1.00 0.00 C ATOM 228 CG2 ILE A 284 1.370 12.079 4.958 1.00 0.00 C ATOM 229 CD1 ILE A 284 2.563 14.782 4.453 1.00 0.00 C ATOM 0 H ILE A 284 4.771 12.745 7.068 1.00 0.00 H new ATOM 0 HA ILE A 284 2.018 11.946 7.545 1.00 0.00 H new ATOM 0 HB ILE A 284 3.498 12.200 4.899 1.00 0.00 H new ATOM 0 HG12 ILE A 284 1.978 14.325 6.453 1.00 0.00 H new ATOM 0 HG13 ILE A 284 3.710 14.294 6.184 1.00 0.00 H new ATOM 0 HG21 ILE A 284 1.237 12.582 4.000 1.00 0.00 H new ATOM 0 HG22 ILE A 284 1.366 11.000 4.804 1.00 0.00 H new ATOM 0 HG23 ILE A 284 0.555 12.353 5.628 1.00 0.00 H new ATOM 0 HD11 ILE A 284 2.613 15.853 4.651 1.00 0.00 H new ATOM 0 HD12 ILE A 284 3.350 14.506 3.751 1.00 0.00 H new ATOM 0 HD13 ILE A 284 1.591 14.537 4.024 1.00 0.00 H new ATOM 241 N VAL A 285 4.268 9.961 6.130 1.00 0.00 N ATOM 242 CA VAL A 285 4.594 8.567 5.851 1.00 0.00 C ATOM 243 C VAL A 285 4.230 7.671 7.030 1.00 0.00 C ATOM 244 O VAL A 285 3.805 6.530 6.850 1.00 0.00 O ATOM 245 CB VAL A 285 6.090 8.393 5.532 1.00 0.00 C ATOM 246 CG1 VAL A 285 6.387 6.957 5.127 1.00 0.00 C ATOM 247 CG2 VAL A 285 6.517 9.362 4.440 1.00 0.00 C ATOM 0 H VAL A 285 4.993 10.626 5.859 1.00 0.00 H new ATOM 0 HA VAL A 285 4.008 8.274 4.980 1.00 0.00 H new ATOM 0 HB VAL A 285 6.664 8.617 6.431 1.00 0.00 H new ATOM 0 HG11 VAL A 285 7.449 6.854 4.905 1.00 0.00 H new ATOM 0 HG12 VAL A 285 6.120 6.286 5.943 1.00 0.00 H new ATOM 0 HG13 VAL A 285 5.805 6.701 4.242 1.00 0.00 H new ATOM 0 HG21 VAL A 285 7.577 9.226 4.227 1.00 0.00 H new ATOM 0 HG22 VAL A 285 5.938 9.171 3.537 1.00 0.00 H new ATOM 0 HG23 VAL A 285 6.343 10.385 4.773 1.00 0.00 H new ATOM 257 N LYS A 286 4.398 8.197 8.239 1.00 0.00 N ATOM 258 CA LYS A 286 4.086 7.447 9.450 1.00 0.00 C ATOM 259 C LYS A 286 2.588 7.172 9.549 1.00 0.00 C ATOM 260 O LYS A 286 2.172 6.116 10.025 1.00 0.00 O ATOM 261 CB LYS A 286 4.556 8.216 10.686 1.00 0.00 C ATOM 262 CG LYS A 286 6.066 8.350 10.781 1.00 0.00 C ATOM 263 CD LYS A 286 6.725 7.019 11.103 1.00 0.00 C ATOM 264 CE LYS A 286 6.749 6.756 12.601 1.00 0.00 C ATOM 265 NZ LYS A 286 7.772 7.589 13.293 1.00 0.00 N ATOM 0 H LYS A 286 4.749 9.140 8.406 1.00 0.00 H new ATOM 0 HA LYS A 286 4.611 6.493 9.402 1.00 0.00 H new ATOM 0 HB2 LYS A 286 4.111 9.211 10.675 1.00 0.00 H new ATOM 0 HB3 LYS A 286 4.187 7.712 11.579 1.00 0.00 H new ATOM 0 HG2 LYS A 286 6.458 8.733 9.839 1.00 0.00 H new ATOM 0 HG3 LYS A 286 6.320 9.078 11.551 1.00 0.00 H new ATOM 0 HD2 LYS A 286 6.188 6.215 10.600 1.00 0.00 H new ATOM 0 HD3 LYS A 286 7.744 7.013 10.715 1.00 0.00 H new ATOM 0 HE2 LYS A 286 5.765 6.964 13.022 1.00 0.00 H new ATOM 0 HE3 LYS A 286 6.957 5.701 12.782 1.00 0.00 H new ATOM 0 HZ1 LYS A 286 7.914 7.232 14.260 1.00 0.00 H new ATOM 0 HZ2 LYS A 286 8.670 7.541 12.771 1.00 0.00 H new ATOM 0 HZ3 LYS A 286 7.447 8.576 13.332 1.00 0.00 H new ATOM 279 N TYR A 287 1.785 8.128 9.095 1.00 0.00 N ATOM 280 CA TYR A 287 0.334 7.988 9.134 1.00 0.00 C ATOM 281 C TYR A 287 -0.165 7.156 7.956 1.00 0.00 C ATOM 282 O TYR A 287 -1.279 6.633 7.977 1.00 0.00 O ATOM 283 CB TYR A 287 -0.332 9.365 9.118 1.00 0.00 C ATOM 284 CG TYR A 287 -1.841 9.307 9.044 1.00 0.00 C ATOM 285 CD1 TYR A 287 -2.572 8.553 9.954 1.00 0.00 C ATOM 286 CD2 TYR A 287 -2.536 10.007 8.066 1.00 0.00 C ATOM 287 CE1 TYR A 287 -3.951 8.496 9.890 1.00 0.00 C ATOM 288 CE2 TYR A 287 -3.915 9.958 7.995 1.00 0.00 C ATOM 289 CZ TYR A 287 -4.618 9.200 8.909 1.00 0.00 C ATOM 290 OH TYR A 287 -5.991 9.148 8.843 1.00 0.00 O ATOM 0 H TYR A 287 2.114 9.007 8.696 1.00 0.00 H new ATOM 0 HA TYR A 287 0.068 7.473 10.057 1.00 0.00 H new ATOM 0 HB2 TYR A 287 -0.041 9.910 10.016 1.00 0.00 H new ATOM 0 HB3 TYR A 287 0.044 9.931 8.266 1.00 0.00 H new ATOM 0 HD1 TYR A 287 -2.053 8.002 10.725 1.00 0.00 H new ATOM 0 HD2 TYR A 287 -1.989 10.600 7.348 1.00 0.00 H new ATOM 0 HE1 TYR A 287 -4.504 7.904 10.604 1.00 0.00 H new ATOM 0 HE2 TYR A 287 -4.439 10.510 7.229 1.00 0.00 H new ATOM 0 HH TYR A 287 -6.265 8.340 8.361 1.00 0.00 H new ATOM 300 N THR A 288 0.670 7.037 6.928 1.00 0.00 N ATOM 301 CA THR A 288 0.316 6.269 5.741 1.00 0.00 C ATOM 302 C THR A 288 0.285 4.775 6.042 1.00 0.00 C ATOM 303 O THR A 288 -0.419 4.012 5.379 1.00 0.00 O ATOM 304 CB THR A 288 1.304 6.529 4.589 1.00 0.00 C ATOM 305 OG1 THR A 288 1.432 7.937 4.361 1.00 0.00 O ATOM 306 CG2 THR A 288 0.840 5.844 3.313 1.00 0.00 C ATOM 0 H THR A 288 1.596 7.463 6.894 1.00 0.00 H new ATOM 0 HA THR A 288 -0.678 6.596 5.438 1.00 0.00 H new ATOM 0 HB THR A 288 2.273 6.118 4.872 1.00 0.00 H new ATOM 0 HG1 THR A 288 2.063 8.094 3.628 1.00 0.00 H new ATOM 0 HG21 THR A 288 1.554 6.042 2.513 1.00 0.00 H new ATOM 0 HG22 THR A 288 0.772 4.769 3.481 1.00 0.00 H new ATOM 0 HG23 THR A 288 -0.139 6.229 3.029 1.00 0.00 H new ATOM 314 N LYS A 289 1.050 4.362 7.046 1.00 0.00 N ATOM 315 CA LYS A 289 1.109 2.958 7.436 1.00 0.00 C ATOM 316 C LYS A 289 -0.143 2.555 8.208 1.00 0.00 C ATOM 317 O LYS A 289 -0.710 1.488 7.975 1.00 0.00 O ATOM 318 CB LYS A 289 2.353 2.697 8.289 1.00 0.00 C ATOM 319 CG LYS A 289 3.573 2.294 7.478 1.00 0.00 C ATOM 320 CD LYS A 289 4.359 3.508 7.013 1.00 0.00 C ATOM 321 CE LYS A 289 5.419 3.909 8.028 1.00 0.00 C ATOM 322 NZ LYS A 289 4.858 4.010 9.404 1.00 0.00 N ATOM 0 H LYS A 289 1.638 4.980 7.605 1.00 0.00 H new ATOM 0 HA LYS A 289 1.165 2.356 6.529 1.00 0.00 H new ATOM 0 HB2 LYS A 289 2.587 3.596 8.860 1.00 0.00 H new ATOM 0 HB3 LYS A 289 2.130 1.910 9.010 1.00 0.00 H new ATOM 0 HG2 LYS A 289 4.216 1.652 8.080 1.00 0.00 H new ATOM 0 HG3 LYS A 289 3.259 1.709 6.613 1.00 0.00 H new ATOM 0 HD2 LYS A 289 4.834 3.291 6.056 1.00 0.00 H new ATOM 0 HD3 LYS A 289 3.678 4.343 6.848 1.00 0.00 H new ATOM 0 HE2 LYS A 289 6.227 3.177 8.018 1.00 0.00 H new ATOM 0 HE3 LYS A 289 5.853 4.867 7.741 1.00 0.00 H new ATOM 0 HZ1 LYS A 289 5.584 4.383 10.048 1.00 0.00 H new ATOM 0 HZ2 LYS A 289 4.038 4.650 9.399 1.00 0.00 H new ATOM 0 HZ3 LYS A 289 4.559 3.068 9.727 1.00 0.00 H new ATOM 336 N ILE A 290 -0.569 3.416 9.126 1.00 0.00 N ATOM 337 CA ILE A 290 -1.756 3.150 9.930 1.00 0.00 C ATOM 338 C ILE A 290 -2.963 2.855 9.046 1.00 0.00 C ATOM 339 O ILE A 290 -3.850 2.089 9.425 1.00 0.00 O ATOM 340 CB ILE A 290 -2.088 4.337 10.854 1.00 0.00 C ATOM 341 CG1 ILE A 290 -1.119 4.376 12.037 1.00 0.00 C ATOM 342 CG2 ILE A 290 -3.525 4.241 11.343 1.00 0.00 C ATOM 343 CD1 ILE A 290 0.113 5.217 11.782 1.00 0.00 C ATOM 0 H ILE A 290 -0.110 4.303 9.332 1.00 0.00 H new ATOM 0 HA ILE A 290 -1.534 2.276 10.542 1.00 0.00 H new ATOM 0 HB ILE A 290 -1.978 5.262 10.288 1.00 0.00 H new ATOM 0 HG12 ILE A 290 -1.641 4.766 12.911 1.00 0.00 H new ATOM 0 HG13 ILE A 290 -0.811 3.358 12.278 1.00 0.00 H new ATOM 0 HG21 ILE A 290 -3.745 5.087 11.995 1.00 0.00 H new ATOM 0 HG22 ILE A 290 -4.202 4.256 10.489 1.00 0.00 H new ATOM 0 HG23 ILE A 290 -3.660 3.312 11.896 1.00 0.00 H new ATOM 0 HD11 ILE A 290 0.755 5.199 12.663 1.00 0.00 H new ATOM 0 HD12 ILE A 290 0.658 4.815 10.928 1.00 0.00 H new ATOM 0 HD13 ILE A 290 -0.185 6.244 11.571 1.00 0.00 H new ATOM 355 N ILE A 291 -2.990 3.467 7.867 1.00 0.00 N ATOM 356 CA ILE A 291 -4.087 3.267 6.928 1.00 0.00 C ATOM 357 C ILE A 291 -3.722 2.235 5.867 1.00 0.00 C ATOM 358 O ILE A 291 -4.461 1.278 5.637 1.00 0.00 O ATOM 359 CB ILE A 291 -4.479 4.585 6.233 1.00 0.00 C ATOM 360 CG1 ILE A 291 -3.299 5.133 5.427 1.00 0.00 C ATOM 361 CG2 ILE A 291 -4.947 5.606 7.258 1.00 0.00 C ATOM 362 CD1 ILE A 291 -3.492 6.561 4.969 1.00 0.00 C ATOM 0 H ILE A 291 -2.265 4.105 7.539 1.00 0.00 H new ATOM 0 HA ILE A 291 -4.936 2.904 7.507 1.00 0.00 H new ATOM 0 HB ILE A 291 -5.302 4.385 5.547 1.00 0.00 H new ATOM 0 HG12 ILE A 291 -2.396 5.074 6.034 1.00 0.00 H new ATOM 0 HG13 ILE A 291 -3.139 4.499 4.555 1.00 0.00 H new ATOM 0 HG21 ILE A 291 -5.220 6.531 6.751 1.00 0.00 H new ATOM 0 HG22 ILE A 291 -5.813 5.215 7.792 1.00 0.00 H new ATOM 0 HG23 ILE A 291 -4.143 5.804 7.967 1.00 0.00 H new ATOM 0 HD11 ILE A 291 -2.617 6.883 4.404 1.00 0.00 H new ATOM 0 HD12 ILE A 291 -4.377 6.623 4.335 1.00 0.00 H new ATOM 0 HD13 ILE A 291 -3.622 7.207 5.837 1.00 0.00 H new ATOM 374 N ALA A 292 -2.576 2.435 5.224 1.00 0.00 N ATOM 375 CA ALA A 292 -2.110 1.519 4.190 1.00 0.00 C ATOM 376 C ALA A 292 -1.910 0.115 4.750 1.00 0.00 C ATOM 377 O ALA A 292 -2.366 -0.867 4.165 1.00 0.00 O ATOM 378 CB ALA A 292 -0.817 2.032 3.574 1.00 0.00 C ATOM 0 H ALA A 292 -1.953 3.223 5.401 1.00 0.00 H new ATOM 0 HA ALA A 292 -2.874 1.467 3.414 1.00 0.00 H new ATOM 0 HB1 ALA A 292 -0.481 1.338 2.804 1.00 0.00 H new ATOM 0 HB2 ALA A 292 -0.990 3.012 3.129 1.00 0.00 H new ATOM 0 HB3 ALA A 292 -0.053 2.114 4.347 1.00 0.00 H new ATOM 384 N MET A 293 -1.225 0.027 5.885 1.00 0.00 N ATOM 385 CA MET A 293 -0.965 -1.258 6.524 1.00 0.00 C ATOM 386 C MET A 293 -2.268 -2.006 6.789 1.00 0.00 C ATOM 387 O MET A 293 -2.489 -3.093 6.255 1.00 0.00 O ATOM 388 CB MET A 293 -0.204 -1.055 7.835 1.00 0.00 C ATOM 389 CG MET A 293 0.449 -2.324 8.361 1.00 0.00 C ATOM 390 SD MET A 293 1.898 -1.988 9.380 1.00 0.00 S ATOM 391 CE MET A 293 2.893 -1.023 8.245 1.00 0.00 C ATOM 0 H MET A 293 -0.840 0.830 6.382 1.00 0.00 H new ATOM 0 HA MET A 293 -0.354 -1.856 5.847 1.00 0.00 H new ATOM 0 HB2 MET A 293 0.564 -0.296 7.686 1.00 0.00 H new ATOM 0 HB3 MET A 293 -0.891 -0.670 8.589 1.00 0.00 H new ATOM 0 HG2 MET A 293 -0.279 -2.887 8.945 1.00 0.00 H new ATOM 0 HG3 MET A 293 0.739 -2.954 7.520 1.00 0.00 H new ATOM 0 HE1 MET A 293 3.829 -1.546 8.046 1.00 0.00 H new ATOM 0 HE2 MET A 293 2.349 -0.885 7.311 1.00 0.00 H new ATOM 0 HE3 MET A 293 3.108 -0.050 8.686 1.00 0.00 H new ATOM 401 N GLU A 294 -3.126 -1.417 7.616 1.00 0.00 N ATOM 402 CA GLU A 294 -4.406 -2.030 7.951 1.00 0.00 C ATOM 403 C GLU A 294 -5.033 -2.686 6.725 1.00 0.00 C ATOM 404 O GLU A 294 -5.078 -3.911 6.616 1.00 0.00 O ATOM 405 CB GLU A 294 -5.361 -0.984 8.529 1.00 0.00 C ATOM 406 CG GLU A 294 -5.167 -0.738 10.016 1.00 0.00 C ATOM 407 CD GLU A 294 -5.979 -1.687 10.876 1.00 0.00 C ATOM 408 OE1 GLU A 294 -7.128 -1.996 10.498 1.00 0.00 O ATOM 409 OE2 GLU A 294 -5.463 -2.121 11.927 1.00 0.00 O ATOM 0 H GLU A 294 -2.958 -0.517 8.066 1.00 0.00 H new ATOM 0 HA GLU A 294 -4.226 -2.801 8.701 1.00 0.00 H new ATOM 0 HB2 GLU A 294 -5.225 -0.045 7.993 1.00 0.00 H new ATOM 0 HB3 GLU A 294 -6.388 -1.305 8.353 1.00 0.00 H new ATOM 0 HG2 GLU A 294 -4.111 -0.844 10.263 1.00 0.00 H new ATOM 0 HG3 GLU A 294 -5.448 0.289 10.250 1.00 0.00 H new ATOM 416 N LYS A 295 -5.517 -1.861 5.803 1.00 0.00 N ATOM 417 CA LYS A 295 -6.142 -2.358 4.583 1.00 0.00 C ATOM 418 C LYS A 295 -5.253 -3.391 3.898 1.00 0.00 C ATOM 419 O LYS A 295 -5.624 -4.558 3.771 1.00 0.00 O ATOM 420 CB LYS A 295 -6.428 -1.200 3.624 1.00 0.00 C ATOM 421 CG LYS A 295 -7.661 -0.393 3.995 1.00 0.00 C ATOM 422 CD LYS A 295 -7.423 0.449 5.237 1.00 0.00 C ATOM 423 CE LYS A 295 -8.637 1.301 5.574 1.00 0.00 C ATOM 424 NZ LYS A 295 -8.509 1.944 6.911 1.00 0.00 N ATOM 0 H LYS A 295 -5.488 -0.844 5.878 1.00 0.00 H new ATOM 0 HA LYS A 295 -7.082 -2.837 4.855 1.00 0.00 H new ATOM 0 HB2 LYS A 295 -5.563 -0.537 3.601 1.00 0.00 H new ATOM 0 HB3 LYS A 295 -6.553 -1.596 2.616 1.00 0.00 H new ATOM 0 HG2 LYS A 295 -7.937 0.254 3.163 1.00 0.00 H new ATOM 0 HG3 LYS A 295 -8.500 -1.067 4.167 1.00 0.00 H new ATOM 0 HD2 LYS A 295 -7.189 -0.202 6.080 1.00 0.00 H new ATOM 0 HD3 LYS A 295 -6.557 1.093 5.081 1.00 0.00 H new ATOM 0 HE2 LYS A 295 -8.764 2.070 4.812 1.00 0.00 H new ATOM 0 HE3 LYS A 295 -9.533 0.681 5.554 1.00 0.00 H new ATOM 0 HZ1 LYS A 295 -9.356 2.516 7.104 1.00 0.00 H new ATOM 0 HZ2 LYS A 295 -8.413 1.210 7.641 1.00 0.00 H new ATOM 0 HZ3 LYS A 295 -7.668 2.556 6.923 1.00 0.00 H new ATOM 438 N LEU A 296 -4.077 -2.955 3.459 1.00 0.00 N ATOM 439 CA LEU A 296 -3.134 -3.842 2.788 1.00 0.00 C ATOM 440 C LEU A 296 -3.145 -5.229 3.423 1.00 0.00 C ATOM 441 O LEU A 296 -3.137 -6.243 2.725 1.00 0.00 O ATOM 442 CB LEU A 296 -1.723 -3.255 2.844 1.00 0.00 C ATOM 443 CG LEU A 296 -1.433 -2.110 1.872 1.00 0.00 C ATOM 444 CD1 LEU A 296 -0.057 -1.520 2.137 1.00 0.00 C ATOM 445 CD2 LEU A 296 -1.540 -2.593 0.433 1.00 0.00 C ATOM 0 H LEU A 296 -3.754 -1.992 3.556 1.00 0.00 H new ATOM 0 HA LEU A 296 -3.441 -3.937 1.746 1.00 0.00 H new ATOM 0 HB2 LEU A 296 -1.539 -2.900 3.858 1.00 0.00 H new ATOM 0 HB3 LEU A 296 -1.010 -4.057 2.653 1.00 0.00 H new ATOM 0 HG LEU A 296 -2.177 -1.329 2.029 1.00 0.00 H new ATOM 0 HD11 LEU A 296 0.131 -0.707 1.436 1.00 0.00 H new ATOM 0 HD12 LEU A 296 -0.016 -1.137 3.157 1.00 0.00 H new ATOM 0 HD13 LEU A 296 0.701 -2.293 2.009 1.00 0.00 H new ATOM 0 HD21 LEU A 296 -1.331 -1.766 -0.245 1.00 0.00 H new ATOM 0 HD22 LEU A 296 -0.819 -3.393 0.263 1.00 0.00 H new ATOM 0 HD23 LEU A 296 -2.547 -2.967 0.249 1.00 0.00 H new ATOM 457 N TYR A 297 -3.166 -5.265 4.751 1.00 0.00 N ATOM 458 CA TYR A 297 -3.178 -6.528 5.481 1.00 0.00 C ATOM 459 C TYR A 297 -4.576 -7.139 5.489 1.00 0.00 C ATOM 460 O TYR A 297 -4.732 -8.360 5.471 1.00 0.00 O ATOM 461 CB TYR A 297 -2.694 -6.316 6.916 1.00 0.00 C ATOM 462 CG TYR A 297 -1.199 -6.474 7.081 1.00 0.00 C ATOM 463 CD1 TYR A 297 -0.558 -7.646 6.698 1.00 0.00 C ATOM 464 CD2 TYR A 297 -0.428 -5.451 7.619 1.00 0.00 C ATOM 465 CE1 TYR A 297 0.807 -7.795 6.848 1.00 0.00 C ATOM 466 CE2 TYR A 297 0.938 -5.591 7.771 1.00 0.00 C ATOM 467 CZ TYR A 297 1.551 -6.764 7.384 1.00 0.00 C ATOM 468 OH TYR A 297 2.911 -6.908 7.534 1.00 0.00 O ATOM 0 H TYR A 297 -3.175 -4.435 5.344 1.00 0.00 H new ATOM 0 HA TYR A 297 -2.502 -7.218 4.975 1.00 0.00 H new ATOM 0 HB2 TYR A 297 -2.984 -5.318 7.244 1.00 0.00 H new ATOM 0 HB3 TYR A 297 -3.200 -7.026 7.570 1.00 0.00 H new ATOM 0 HD1 TYR A 297 -1.137 -8.454 6.276 1.00 0.00 H new ATOM 0 HD2 TYR A 297 -0.905 -4.531 7.923 1.00 0.00 H new ATOM 0 HE1 TYR A 297 1.289 -8.713 6.547 1.00 0.00 H new ATOM 0 HE2 TYR A 297 1.523 -4.786 8.191 1.00 0.00 H new ATOM 0 HH TYR A 297 3.285 -6.091 7.925 1.00 0.00 H new ATOM 478 N ALA A 298 -5.590 -6.280 5.515 1.00 0.00 N ATOM 479 CA ALA A 298 -6.975 -6.734 5.522 1.00 0.00 C ATOM 480 C ALA A 298 -7.328 -7.439 4.217 1.00 0.00 C ATOM 481 O ALA A 298 -8.083 -8.412 4.210 1.00 0.00 O ATOM 482 CB ALA A 298 -7.913 -5.560 5.761 1.00 0.00 C ATOM 0 H ALA A 298 -5.478 -5.266 5.532 1.00 0.00 H new ATOM 0 HA ALA A 298 -7.093 -7.451 6.335 1.00 0.00 H new ATOM 0 HB1 ALA A 298 -8.944 -5.913 5.764 1.00 0.00 H new ATOM 0 HB2 ALA A 298 -7.684 -5.101 6.723 1.00 0.00 H new ATOM 0 HB3 ALA A 298 -7.784 -4.824 4.968 1.00 0.00 H new ATOM 488 N VAL A 299 -6.779 -6.942 3.113 1.00 0.00 N ATOM 489 CA VAL A 299 -7.037 -7.524 1.802 1.00 0.00 C ATOM 490 C VAL A 299 -6.167 -8.755 1.567 1.00 0.00 C ATOM 491 O VAL A 299 -6.536 -9.653 0.810 1.00 0.00 O ATOM 492 CB VAL A 299 -6.781 -6.506 0.675 1.00 0.00 C ATOM 493 CG1 VAL A 299 -7.644 -5.268 0.868 1.00 0.00 C ATOM 494 CG2 VAL A 299 -5.307 -6.135 0.617 1.00 0.00 C ATOM 0 H VAL A 299 -6.152 -6.137 3.101 1.00 0.00 H new ATOM 0 HA VAL A 299 -8.087 -7.815 1.786 1.00 0.00 H new ATOM 0 HB VAL A 299 -7.054 -6.965 -0.275 1.00 0.00 H new ATOM 0 HG11 VAL A 299 -7.450 -4.560 0.062 1.00 0.00 H new ATOM 0 HG12 VAL A 299 -8.696 -5.552 0.855 1.00 0.00 H new ATOM 0 HG13 VAL A 299 -7.405 -4.804 1.825 1.00 0.00 H new ATOM 0 HG21 VAL A 299 -5.144 -5.415 -0.185 1.00 0.00 H new ATOM 0 HG22 VAL A 299 -5.005 -5.694 1.567 1.00 0.00 H new ATOM 0 HG23 VAL A 299 -4.714 -7.030 0.427 1.00 0.00 H new ATOM 716 N ALA A 313 -8.248 -4.347 -5.169 1.00 0.00 N ATOM 717 CA ALA A 313 -8.253 -4.132 -3.727 1.00 0.00 C ATOM 718 C ALA A 313 -7.017 -3.355 -3.284 1.00 0.00 C ATOM 719 O ALA A 313 -7.114 -2.202 -2.865 1.00 0.00 O ATOM 720 CB ALA A 313 -8.332 -5.463 -2.995 1.00 0.00 C ATOM 0 HA ALA A 313 -9.133 -3.539 -3.476 1.00 0.00 H new ATOM 0 HB1 ALA A 313 -8.335 -5.287 -1.919 1.00 0.00 H new ATOM 0 HB2 ALA A 313 -9.247 -5.981 -3.280 1.00 0.00 H new ATOM 0 HB3 ALA A 313 -7.470 -6.076 -3.260 1.00 0.00 H new ATOM 726 N VAL A 314 -5.856 -3.995 -3.379 1.00 0.00 N ATOM 727 CA VAL A 314 -4.601 -3.364 -2.988 1.00 0.00 C ATOM 728 C VAL A 314 -4.391 -2.050 -3.733 1.00 0.00 C ATOM 729 O VAL A 314 -3.963 -1.056 -3.149 1.00 0.00 O ATOM 730 CB VAL A 314 -3.400 -4.290 -3.255 1.00 0.00 C ATOM 731 CG1 VAL A 314 -2.104 -3.621 -2.824 1.00 0.00 C ATOM 732 CG2 VAL A 314 -3.585 -5.621 -2.542 1.00 0.00 C ATOM 0 H VAL A 314 -5.758 -4.950 -3.723 1.00 0.00 H new ATOM 0 HA VAL A 314 -4.666 -3.166 -1.918 1.00 0.00 H new ATOM 0 HB VAL A 314 -3.343 -4.483 -4.326 1.00 0.00 H new ATOM 0 HG11 VAL A 314 -1.266 -4.290 -3.020 1.00 0.00 H new ATOM 0 HG12 VAL A 314 -1.968 -2.696 -3.384 1.00 0.00 H new ATOM 0 HG13 VAL A 314 -2.147 -3.397 -1.758 1.00 0.00 H new ATOM 0 HG21 VAL A 314 -2.727 -6.263 -2.742 1.00 0.00 H new ATOM 0 HG22 VAL A 314 -3.669 -5.450 -1.469 1.00 0.00 H new ATOM 0 HG23 VAL A 314 -4.492 -6.105 -2.904 1.00 0.00 H new ATOM 742 N ASN A 315 -4.697 -2.055 -5.026 1.00 0.00 N ATOM 743 CA ASN A 315 -4.541 -0.863 -5.852 1.00 0.00 C ATOM 744 C ASN A 315 -5.398 0.283 -5.321 1.00 0.00 C ATOM 745 O ASN A 315 -4.894 1.370 -5.039 1.00 0.00 O ATOM 746 CB ASN A 315 -4.922 -1.169 -7.302 1.00 0.00 C ATOM 747 CG ASN A 315 -4.223 -0.254 -8.289 1.00 0.00 C ATOM 748 OD1 ASN A 315 -3.347 -0.685 -9.040 1.00 0.00 O ATOM 749 ND2 ASN A 315 -4.606 1.018 -8.291 1.00 0.00 N ATOM 0 H ASN A 315 -5.054 -2.870 -5.524 1.00 0.00 H new ATOM 0 HA ASN A 315 -3.495 -0.559 -5.814 1.00 0.00 H new ATOM 0 HB2 ASN A 315 -4.670 -2.205 -7.530 1.00 0.00 H new ATOM 0 HB3 ASN A 315 -6.001 -1.070 -7.420 1.00 0.00 H new ATOM 0 HD21 ASN A 315 -4.170 1.681 -8.932 1.00 0.00 H new ATOM 0 HD22 ASN A 315 -5.336 1.332 -7.651 1.00 0.00 H new ATOM 756 N LYS A 316 -6.695 0.031 -5.186 1.00 0.00 N ATOM 757 CA LYS A 316 -7.623 1.039 -4.687 1.00 0.00 C ATOM 758 C LYS A 316 -6.962 1.906 -3.620 1.00 0.00 C ATOM 759 O LYS A 316 -7.109 3.128 -3.622 1.00 0.00 O ATOM 760 CB LYS A 316 -8.874 0.370 -4.112 1.00 0.00 C ATOM 761 CG LYS A 316 -9.961 0.126 -5.144 1.00 0.00 C ATOM 762 CD LYS A 316 -10.799 1.372 -5.378 1.00 0.00 C ATOM 763 CE LYS A 316 -11.926 1.485 -4.363 1.00 0.00 C ATOM 764 NZ LYS A 316 -13.029 2.357 -4.853 1.00 0.00 N ATOM 0 H LYS A 316 -7.128 -0.864 -5.415 1.00 0.00 H new ATOM 0 HA LYS A 316 -7.911 1.677 -5.522 1.00 0.00 H new ATOM 0 HB2 LYS A 316 -8.592 -0.582 -3.661 1.00 0.00 H new ATOM 0 HB3 LYS A 316 -9.276 0.994 -3.314 1.00 0.00 H new ATOM 0 HG2 LYS A 316 -9.507 -0.190 -6.083 1.00 0.00 H new ATOM 0 HG3 LYS A 316 -10.604 -0.689 -4.811 1.00 0.00 H new ATOM 0 HD2 LYS A 316 -10.164 2.256 -5.318 1.00 0.00 H new ATOM 0 HD3 LYS A 316 -11.216 1.347 -6.385 1.00 0.00 H new ATOM 0 HE2 LYS A 316 -12.318 0.492 -4.144 1.00 0.00 H new ATOM 0 HE3 LYS A 316 -11.534 1.886 -3.428 1.00 0.00 H new ATOM 0 HZ1 LYS A 316 -13.777 2.408 -4.133 1.00 0.00 H new ATOM 0 HZ2 LYS A 316 -12.661 3.312 -5.038 1.00 0.00 H new ATOM 0 HZ3 LYS A 316 -13.421 1.961 -5.731 1.00 0.00 H new ATOM 778 N ILE A 317 -6.233 1.266 -2.712 1.00 0.00 N ATOM 779 CA ILE A 317 -5.548 1.980 -1.642 1.00 0.00 C ATOM 780 C ILE A 317 -4.784 3.182 -2.185 1.00 0.00 C ATOM 781 O ILE A 317 -4.945 4.303 -1.702 1.00 0.00 O ATOM 782 CB ILE A 317 -4.568 1.060 -0.889 1.00 0.00 C ATOM 783 CG1 ILE A 317 -5.306 -0.157 -0.329 1.00 0.00 C ATOM 784 CG2 ILE A 317 -3.875 1.827 0.228 1.00 0.00 C ATOM 785 CD1 ILE A 317 -4.419 -1.085 0.473 1.00 0.00 C ATOM 0 H ILE A 317 -6.102 0.255 -2.696 1.00 0.00 H new ATOM 0 HA ILE A 317 -6.316 2.324 -0.949 1.00 0.00 H new ATOM 0 HB ILE A 317 -3.809 0.710 -1.589 1.00 0.00 H new ATOM 0 HG12 ILE A 317 -6.126 0.184 0.302 1.00 0.00 H new ATOM 0 HG13 ILE A 317 -5.750 -0.714 -1.154 1.00 0.00 H new ATOM 0 HG21 ILE A 317 -3.186 1.164 0.751 1.00 0.00 H new ATOM 0 HG22 ILE A 317 -3.322 2.665 -0.195 1.00 0.00 H new ATOM 0 HG23 ILE A 317 -4.621 2.202 0.929 1.00 0.00 H new ATOM 0 HD11 ILE A 317 -5.009 -1.926 0.839 1.00 0.00 H new ATOM 0 HD12 ILE A 317 -3.613 -1.456 -0.160 1.00 0.00 H new ATOM 0 HD13 ILE A 317 -3.996 -0.543 1.319 1.00 0.00 H new ATOM 797 N ARG A 318 -3.952 2.942 -3.193 1.00 0.00 N ATOM 798 CA ARG A 318 -3.163 4.005 -3.803 1.00 0.00 C ATOM 799 C ARG A 318 -3.985 5.284 -3.936 1.00 0.00 C ATOM 800 O ARG A 318 -3.477 6.386 -3.726 1.00 0.00 O ATOM 801 CB ARG A 318 -2.654 3.568 -5.178 1.00 0.00 C ATOM 802 CG ARG A 318 -1.332 2.820 -5.128 1.00 0.00 C ATOM 803 CD ARG A 318 -0.150 3.772 -5.202 1.00 0.00 C ATOM 804 NE ARG A 318 0.032 4.316 -6.546 1.00 0.00 N ATOM 805 CZ ARG A 318 0.439 3.592 -7.583 1.00 0.00 C ATOM 806 NH1 ARG A 318 0.705 2.302 -7.431 1.00 0.00 N ATOM 807 NH2 ARG A 318 0.581 4.158 -8.774 1.00 0.00 N ATOM 0 H ARG A 318 -3.807 2.020 -3.605 1.00 0.00 H new ATOM 0 HA ARG A 318 -2.310 4.207 -3.155 1.00 0.00 H new ATOM 0 HB2 ARG A 318 -3.404 2.932 -5.649 1.00 0.00 H new ATOM 0 HB3 ARG A 318 -2.540 4.448 -5.811 1.00 0.00 H new ATOM 0 HG2 ARG A 318 -1.276 2.240 -4.207 1.00 0.00 H new ATOM 0 HG3 ARG A 318 -1.282 2.112 -5.955 1.00 0.00 H new ATOM 0 HD2 ARG A 318 -0.299 4.590 -4.497 1.00 0.00 H new ATOM 0 HD3 ARG A 318 0.756 3.249 -4.897 1.00 0.00 H new ATOM 0 HE ARG A 318 -0.164 5.306 -6.696 1.00 0.00 H new ATOM 0 HH11 ARG A 318 0.597 1.863 -6.516 1.00 0.00 H new ATOM 0 HH12 ARG A 318 1.017 1.748 -8.229 1.00 0.00 H new ATOM 0 HH21 ARG A 318 0.378 5.150 -8.895 1.00 0.00 H new ATOM 0 HH22 ARG A 318 0.894 3.601 -9.569 1.00 0.00 H new ATOM 821 N LEU A 319 -5.257 5.130 -4.287 1.00 0.00 N ATOM 822 CA LEU A 319 -6.150 6.272 -4.449 1.00 0.00 C ATOM 823 C LEU A 319 -6.718 6.714 -3.105 1.00 0.00 C ATOM 824 O LEU A 319 -6.759 7.906 -2.798 1.00 0.00 O ATOM 825 CB LEU A 319 -7.290 5.921 -5.407 1.00 0.00 C ATOM 826 CG LEU A 319 -6.890 5.180 -6.684 1.00 0.00 C ATOM 827 CD1 LEU A 319 -8.020 4.277 -7.153 1.00 0.00 C ATOM 828 CD2 LEU A 319 -6.506 6.168 -7.776 1.00 0.00 C ATOM 0 H LEU A 319 -5.693 4.225 -4.465 1.00 0.00 H new ATOM 0 HA LEU A 319 -5.573 7.097 -4.867 1.00 0.00 H new ATOM 0 HB2 LEU A 319 -8.015 5.311 -4.869 1.00 0.00 H new ATOM 0 HB3 LEU A 319 -7.797 6.843 -5.690 1.00 0.00 H new ATOM 0 HG LEU A 319 -6.023 4.558 -6.464 1.00 0.00 H new ATOM 0 HD11 LEU A 319 -7.717 3.758 -8.063 1.00 0.00 H new ATOM 0 HD12 LEU A 319 -8.248 3.546 -6.377 1.00 0.00 H new ATOM 0 HD13 LEU A 319 -8.906 4.879 -7.356 1.00 0.00 H new ATOM 0 HD21 LEU A 319 -6.224 5.623 -8.677 1.00 0.00 H new ATOM 0 HD22 LEU A 319 -7.354 6.817 -7.994 1.00 0.00 H new ATOM 0 HD23 LEU A 319 -5.664 6.773 -7.440 1.00 0.00 H new ATOM 840 N ASP A 320 -7.153 5.746 -2.305 1.00 0.00 N ATOM 841 CA ASP A 320 -7.716 6.035 -0.991 1.00 0.00 C ATOM 842 C ASP A 320 -6.726 6.819 -0.137 1.00 0.00 C ATOM 843 O ASP A 320 -6.930 8.001 0.144 1.00 0.00 O ATOM 844 CB ASP A 320 -8.104 4.737 -0.283 1.00 0.00 C ATOM 845 CG ASP A 320 -9.435 4.191 -0.762 1.00 0.00 C ATOM 846 OD1 ASP A 320 -9.481 3.637 -1.880 1.00 0.00 O ATOM 847 OD2 ASP A 320 -10.431 4.319 -0.019 1.00 0.00 O ATOM 0 H ASP A 320 -7.126 4.755 -2.544 1.00 0.00 H new ATOM 0 HA ASP A 320 -8.609 6.644 -1.131 1.00 0.00 H new ATOM 0 HB2 ASP A 320 -7.328 3.990 -0.449 1.00 0.00 H new ATOM 0 HB3 ASP A 320 -8.153 4.913 0.792 1.00 0.00 H new ATOM 852 N THR A 321 -5.652 6.154 0.277 1.00 0.00 N ATOM 853 CA THR A 321 -4.631 6.787 1.102 1.00 0.00 C ATOM 854 C THR A 321 -4.253 8.158 0.553 1.00 0.00 C ATOM 855 O THR A 321 -4.193 9.138 1.295 1.00 0.00 O ATOM 856 CB THR A 321 -3.363 5.916 1.194 1.00 0.00 C ATOM 857 OG1 THR A 321 -2.910 5.571 -0.120 1.00 0.00 O ATOM 858 CG2 THR A 321 -3.633 4.650 1.992 1.00 0.00 C ATOM 0 H THR A 321 -5.467 5.176 0.054 1.00 0.00 H new ATOM 0 HA THR A 321 -5.057 6.902 2.099 1.00 0.00 H new ATOM 0 HB THR A 321 -2.590 6.490 1.705 1.00 0.00 H new ATOM 0 HG1 THR A 321 -2.087 5.043 -0.054 1.00 0.00 H new ATOM 0 HG21 THR A 321 -2.724 4.051 2.043 1.00 0.00 H new ATOM 0 HG22 THR A 321 -3.950 4.916 3.000 1.00 0.00 H new ATOM 0 HG23 THR A 321 -4.420 4.074 1.505 1.00 0.00 H new ATOM 866 N GLU A 322 -3.999 8.219 -0.750 1.00 0.00 N ATOM 867 CA GLU A 322 -3.627 9.472 -1.397 1.00 0.00 C ATOM 868 C GLU A 322 -4.532 10.612 -0.938 1.00 0.00 C ATOM 869 O GLU A 322 -4.055 11.659 -0.504 1.00 0.00 O ATOM 870 CB GLU A 322 -3.702 9.328 -2.919 1.00 0.00 C ATOM 871 CG GLU A 322 -3.315 10.591 -3.670 1.00 0.00 C ATOM 872 CD GLU A 322 -3.568 10.484 -5.161 1.00 0.00 C ATOM 873 OE1 GLU A 322 -3.533 9.352 -5.688 1.00 0.00 O ATOM 874 OE2 GLU A 322 -3.800 11.530 -5.801 1.00 0.00 O ATOM 0 H GLU A 322 -4.044 7.417 -1.378 1.00 0.00 H new ATOM 0 HA GLU A 322 -2.602 9.708 -1.111 1.00 0.00 H new ATOM 0 HB2 GLU A 322 -3.047 8.515 -3.231 1.00 0.00 H new ATOM 0 HB3 GLU A 322 -4.717 9.045 -3.199 1.00 0.00 H new ATOM 0 HG2 GLU A 322 -3.878 11.434 -3.269 1.00 0.00 H new ATOM 0 HG3 GLU A 322 -2.259 10.802 -3.499 1.00 0.00 H new ATOM 881 N GLU A 323 -5.841 10.398 -1.039 1.00 0.00 N ATOM 882 CA GLU A 323 -6.812 11.407 -0.635 1.00 0.00 C ATOM 883 C GLU A 323 -6.979 11.426 0.882 1.00 0.00 C ATOM 884 O GLU A 323 -7.541 12.367 1.444 1.00 0.00 O ATOM 885 CB GLU A 323 -8.163 11.143 -1.304 1.00 0.00 C ATOM 886 CG GLU A 323 -8.981 12.402 -1.539 1.00 0.00 C ATOM 887 CD GLU A 323 -10.158 12.167 -2.466 1.00 0.00 C ATOM 888 OE1 GLU A 323 -10.960 11.251 -2.189 1.00 0.00 O ATOM 889 OE2 GLU A 323 -10.277 12.901 -3.470 1.00 0.00 O ATOM 0 H GLU A 323 -6.252 9.536 -1.397 1.00 0.00 H new ATOM 0 HA GLU A 323 -6.440 12.380 -0.954 1.00 0.00 H new ATOM 0 HB2 GLU A 323 -7.995 10.645 -2.259 1.00 0.00 H new ATOM 0 HB3 GLU A 323 -8.739 10.456 -0.683 1.00 0.00 H new ATOM 0 HG2 GLU A 323 -9.345 12.778 -0.583 1.00 0.00 H new ATOM 0 HG3 GLU A 323 -8.339 13.175 -1.962 1.00 0.00 H new ATOM 896 N HIS A 324 -6.487 10.380 1.538 1.00 0.00 N ATOM 897 CA HIS A 324 -6.581 10.276 2.990 1.00 0.00 C ATOM 898 C HIS A 324 -5.469 11.073 3.665 1.00 0.00 C ATOM 899 O HIS A 324 -5.637 11.573 4.779 1.00 0.00 O ATOM 900 CB HIS A 324 -6.509 8.811 3.423 1.00 0.00 C ATOM 901 CG HIS A 324 -7.025 8.570 4.809 1.00 0.00 C ATOM 902 ND1 HIS A 324 -8.338 8.782 5.170 1.00 0.00 N ATOM 903 CD2 HIS A 324 -6.395 8.131 5.924 1.00 0.00 C ATOM 904 CE1 HIS A 324 -8.494 8.485 6.448 1.00 0.00 C ATOM 905 NE2 HIS A 324 -7.330 8.087 6.928 1.00 0.00 N ATOM 0 H HIS A 324 -6.020 9.593 1.088 1.00 0.00 H new ATOM 0 HA HIS A 324 -7.540 10.692 3.298 1.00 0.00 H new ATOM 0 HB2 HIS A 324 -7.081 8.205 2.721 1.00 0.00 H new ATOM 0 HB3 HIS A 324 -5.474 8.474 3.366 1.00 0.00 H new ATOM 0 HD1 HIS A 324 -9.074 9.116 4.548 1.00 0.00 H new ATOM 0 HD2 HIS A 324 -5.352 7.865 6.008 1.00 0.00 H new ATOM 0 HE1 HIS A 324 -9.416 8.556 7.005 1.00 0.00 H new ATOM 914 N LEU A 325 -4.334 11.188 2.985 1.00 0.00 N ATOM 915 CA LEU A 325 -3.193 11.925 3.520 1.00 0.00 C ATOM 916 C LEU A 325 -3.222 13.380 3.062 1.00 0.00 C ATOM 917 O LEU A 325 -3.276 14.298 3.880 1.00 0.00 O ATOM 918 CB LEU A 325 -1.885 11.266 3.080 1.00 0.00 C ATOM 919 CG LEU A 325 -1.740 9.779 3.405 1.00 0.00 C ATOM 920 CD1 LEU A 325 -0.675 9.141 2.525 1.00 0.00 C ATOM 921 CD2 LEU A 325 -1.404 9.585 4.877 1.00 0.00 C ATOM 0 H LEU A 325 -4.178 10.781 2.063 1.00 0.00 H new ATOM 0 HA LEU A 325 -3.255 11.905 4.608 1.00 0.00 H new ATOM 0 HB2 LEU A 325 -1.782 11.394 2.002 1.00 0.00 H new ATOM 0 HB3 LEU A 325 -1.057 11.801 3.545 1.00 0.00 H new ATOM 0 HG LEU A 325 -2.692 9.288 3.202 1.00 0.00 H new ATOM 0 HD11 LEU A 325 -0.586 8.083 2.771 1.00 0.00 H new ATOM 0 HD12 LEU A 325 -0.957 9.248 1.477 1.00 0.00 H new ATOM 0 HD13 LEU A 325 0.282 9.635 2.696 1.00 0.00 H new ATOM 0 HD21 LEU A 325 -1.305 8.521 5.090 1.00 0.00 H new ATOM 0 HD22 LEU A 325 -0.466 10.090 5.106 1.00 0.00 H new ATOM 0 HD23 LEU A 325 -2.201 10.005 5.491 1.00 0.00 H new ATOM 933 N LYS A 326 -3.187 13.583 1.750 1.00 0.00 N ATOM 934 CA LYS A 326 -3.213 14.925 1.182 1.00 0.00 C ATOM 935 C LYS A 326 -4.240 15.799 1.896 1.00 0.00 C ATOM 936 O LYS A 326 -4.077 17.015 1.985 1.00 0.00 O ATOM 937 CB LYS A 326 -3.532 14.863 -0.314 1.00 0.00 C ATOM 938 CG LYS A 326 -3.340 16.187 -1.032 1.00 0.00 C ATOM 939 CD LYS A 326 -4.014 16.185 -2.394 1.00 0.00 C ATOM 940 CE LYS A 326 -3.754 17.481 -3.147 1.00 0.00 C ATOM 941 NZ LYS A 326 -2.367 17.540 -3.687 1.00 0.00 N ATOM 0 H LYS A 326 -3.140 12.834 1.059 1.00 0.00 H new ATOM 0 HA LYS A 326 -2.227 15.369 1.319 1.00 0.00 H new ATOM 0 HB2 LYS A 326 -2.897 14.110 -0.781 1.00 0.00 H new ATOM 0 HB3 LYS A 326 -4.563 14.535 -0.444 1.00 0.00 H new ATOM 0 HG2 LYS A 326 -3.748 16.994 -0.424 1.00 0.00 H new ATOM 0 HG3 LYS A 326 -2.275 16.386 -1.152 1.00 0.00 H new ATOM 0 HD2 LYS A 326 -3.648 15.342 -2.981 1.00 0.00 H new ATOM 0 HD3 LYS A 326 -5.088 16.044 -2.270 1.00 0.00 H new ATOM 0 HE2 LYS A 326 -4.467 17.574 -3.966 1.00 0.00 H new ATOM 0 HE3 LYS A 326 -3.921 18.328 -2.481 1.00 0.00 H new ATOM 0 HZ1 LYS A 326 -1.996 18.506 -3.585 1.00 0.00 H new ATOM 0 HZ2 LYS A 326 -1.761 16.879 -3.160 1.00 0.00 H new ATOM 0 HZ3 LYS A 326 -2.375 17.276 -4.693 1.00 0.00 H new ATOM 955 N GLU A 327 -5.295 15.169 2.403 1.00 0.00 N ATOM 956 CA GLU A 327 -6.347 15.890 3.110 1.00 0.00 C ATOM 957 C GLU A 327 -5.909 16.237 4.530 1.00 0.00 C ATOM 958 O GLU A 327 -6.259 17.292 5.059 1.00 0.00 O ATOM 959 CB GLU A 327 -7.629 15.057 3.149 1.00 0.00 C ATOM 960 CG GLU A 327 -8.379 15.030 1.827 1.00 0.00 C ATOM 961 CD GLU A 327 -9.389 16.154 1.707 1.00 0.00 C ATOM 962 OE1 GLU A 327 -10.442 16.080 2.374 1.00 0.00 O ATOM 963 OE2 GLU A 327 -9.126 17.108 0.945 1.00 0.00 O ATOM 0 H GLU A 327 -5.444 14.162 2.337 1.00 0.00 H new ATOM 0 HA GLU A 327 -6.541 16.818 2.572 1.00 0.00 H new ATOM 0 HB2 GLU A 327 -7.380 14.036 3.436 1.00 0.00 H new ATOM 0 HB3 GLU A 327 -8.287 15.454 3.922 1.00 0.00 H new ATOM 0 HG2 GLU A 327 -7.665 15.099 1.007 1.00 0.00 H new ATOM 0 HG3 GLU A 327 -8.891 14.073 1.724 1.00 0.00 H new ATOM 970 N LYS A 328 -5.142 15.342 5.142 1.00 0.00 N ATOM 971 CA LYS A 328 -4.655 15.552 6.500 1.00 0.00 C ATOM 972 C LYS A 328 -3.834 16.834 6.591 1.00 0.00 C ATOM 973 O LYS A 328 -4.128 17.715 7.400 1.00 0.00 O ATOM 974 CB LYS A 328 -3.808 14.359 6.950 1.00 0.00 C ATOM 975 CG LYS A 328 -3.410 14.414 8.415 1.00 0.00 C ATOM 976 CD LYS A 328 -3.212 13.022 8.991 1.00 0.00 C ATOM 977 CE LYS A 328 -2.606 13.077 10.385 1.00 0.00 C ATOM 978 NZ LYS A 328 -3.560 13.637 11.383 1.00 0.00 N ATOM 0 H LYS A 328 -4.844 14.463 4.719 1.00 0.00 H new ATOM 0 HA LYS A 328 -5.518 15.646 7.159 1.00 0.00 H new ATOM 0 HB2 LYS A 328 -4.364 13.440 6.768 1.00 0.00 H new ATOM 0 HB3 LYS A 328 -2.907 14.313 6.339 1.00 0.00 H new ATOM 0 HG2 LYS A 328 -2.489 14.987 8.522 1.00 0.00 H new ATOM 0 HG3 LYS A 328 -4.179 14.938 8.983 1.00 0.00 H new ATOM 0 HD2 LYS A 328 -4.170 12.503 9.030 1.00 0.00 H new ATOM 0 HD3 LYS A 328 -2.563 12.444 8.333 1.00 0.00 H new ATOM 0 HE2 LYS A 328 -2.307 12.074 10.691 1.00 0.00 H new ATOM 0 HE3 LYS A 328 -1.703 13.686 10.364 1.00 0.00 H new ATOM 0 HZ1 LYS A 328 -3.110 13.658 12.320 1.00 0.00 H new ATOM 0 HZ2 LYS A 328 -3.826 14.603 11.105 1.00 0.00 H new ATOM 0 HZ3 LYS A 328 -4.412 13.041 11.421 1.00 0.00 H new ATOM 992 N PHE A 329 -2.804 16.933 5.757 1.00 0.00 N ATOM 993 CA PHE A 329 -1.941 18.108 5.744 1.00 0.00 C ATOM 994 C PHE A 329 -2.003 18.813 4.392 1.00 0.00 C ATOM 995 O PHE A 329 -1.476 18.333 3.388 1.00 0.00 O ATOM 996 CB PHE A 329 -0.498 17.711 6.059 1.00 0.00 C ATOM 997 CG PHE A 329 -0.388 16.501 6.942 1.00 0.00 C ATOM 998 CD1 PHE A 329 -0.661 15.237 6.445 1.00 0.00 C ATOM 999 CD2 PHE A 329 -0.012 16.628 8.270 1.00 0.00 C ATOM 1000 CE1 PHE A 329 -0.562 14.122 7.256 1.00 0.00 C ATOM 1001 CE2 PHE A 329 0.089 15.517 9.086 1.00 0.00 C ATOM 1002 CZ PHE A 329 -0.185 14.262 8.578 1.00 0.00 C ATOM 0 H PHE A 329 -2.547 16.213 5.081 1.00 0.00 H new ATOM 0 HA PHE A 329 -2.296 18.797 6.510 1.00 0.00 H new ATOM 0 HB2 PHE A 329 0.029 17.518 5.125 1.00 0.00 H new ATOM 0 HB3 PHE A 329 0.004 18.550 6.541 1.00 0.00 H new ATOM 0 HD1 PHE A 329 -0.955 15.121 5.412 1.00 0.00 H new ATOM 0 HD2 PHE A 329 0.205 17.607 8.672 1.00 0.00 H new ATOM 0 HE1 PHE A 329 -0.779 13.142 6.857 1.00 0.00 H new ATOM 0 HE2 PHE A 329 0.382 15.630 10.119 1.00 0.00 H new ATOM 0 HZ PHE A 329 -0.105 13.392 9.213 1.00 0.00 H new ATOM 1012 N PRO A 330 -2.662 19.981 4.364 1.00 0.00 N ATOM 1013 CA PRO A 330 -2.809 20.778 3.142 1.00 0.00 C ATOM 1014 C PRO A 330 -1.491 21.399 2.693 1.00 0.00 C ATOM 1015 O PRO A 330 -1.325 21.747 1.524 1.00 0.00 O ATOM 1016 CB PRO A 330 -3.804 21.869 3.547 1.00 0.00 C ATOM 1017 CG PRO A 330 -3.649 21.992 5.024 1.00 0.00 C ATOM 1018 CD PRO A 330 -3.314 20.614 5.522 1.00 0.00 C ATOM 0 HA PRO A 330 -3.140 20.173 2.298 1.00 0.00 H new ATOM 0 HB2 PRO A 330 -3.584 22.812 3.046 1.00 0.00 H new ATOM 0 HB3 PRO A 330 -4.824 21.595 3.277 1.00 0.00 H new ATOM 0 HG2 PRO A 330 -2.860 22.700 5.276 1.00 0.00 H new ATOM 0 HG3 PRO A 330 -4.566 22.360 5.483 1.00 0.00 H new ATOM 0 HD2 PRO A 330 -2.651 20.649 6.386 1.00 0.00 H new ATOM 0 HD3 PRO A 330 -4.207 20.069 5.828 1.00 0.00 H new ATOM 1026 N GLU A 331 -0.556 21.534 3.629 1.00 0.00 N ATOM 1027 CA GLU A 331 0.747 22.114 3.328 1.00 0.00 C ATOM 1028 C GLU A 331 1.587 21.158 2.486 1.00 0.00 C ATOM 1029 O GLU A 331 2.345 21.583 1.614 1.00 0.00 O ATOM 1030 CB GLU A 331 1.489 22.458 4.621 1.00 0.00 C ATOM 1031 CG GLU A 331 1.746 21.254 5.513 1.00 0.00 C ATOM 1032 CD GLU A 331 2.603 21.593 6.717 1.00 0.00 C ATOM 1033 OE1 GLU A 331 2.116 22.323 7.606 1.00 0.00 O ATOM 1034 OE2 GLU A 331 3.760 21.128 6.771 1.00 0.00 O ATOM 0 H GLU A 331 -0.677 21.250 4.601 1.00 0.00 H new ATOM 0 HA GLU A 331 0.585 23.028 2.757 1.00 0.00 H new ATOM 0 HB2 GLU A 331 2.442 22.924 4.370 1.00 0.00 H new ATOM 0 HB3 GLU A 331 0.910 23.195 5.177 1.00 0.00 H new ATOM 0 HG2 GLU A 331 0.793 20.848 5.853 1.00 0.00 H new ATOM 0 HG3 GLU A 331 2.236 20.473 4.931 1.00 0.00 H new ATOM 1041 N VAL A 332 1.446 19.864 2.754 1.00 0.00 N ATOM 1042 CA VAL A 332 2.190 18.846 2.021 1.00 0.00 C ATOM 1043 C VAL A 332 1.802 18.836 0.547 1.00 0.00 C ATOM 1044 O VAL A 332 0.650 19.090 0.196 1.00 0.00 O ATOM 1045 CB VAL A 332 1.954 17.444 2.613 1.00 0.00 C ATOM 1046 CG1 VAL A 332 0.529 16.984 2.345 1.00 0.00 C ATOM 1047 CG2 VAL A 332 2.959 16.451 2.047 1.00 0.00 C ATOM 0 H VAL A 332 0.824 19.496 3.473 1.00 0.00 H new ATOM 0 HA VAL A 332 3.246 19.098 2.113 1.00 0.00 H new ATOM 0 HB VAL A 332 2.097 17.495 3.692 1.00 0.00 H new ATOM 0 HG11 VAL A 332 0.381 15.991 2.771 1.00 0.00 H new ATOM 0 HG12 VAL A 332 -0.171 17.683 2.802 1.00 0.00 H new ATOM 0 HG13 VAL A 332 0.355 16.947 1.270 1.00 0.00 H new ATOM 0 HG21 VAL A 332 2.778 15.465 2.476 1.00 0.00 H new ATOM 0 HG22 VAL A 332 2.850 16.401 0.964 1.00 0.00 H new ATOM 0 HG23 VAL A 332 3.970 16.775 2.295 1.00 0.00 H new ATOM 1057 N ASP A 333 2.771 18.539 -0.312 1.00 0.00 N ATOM 1058 CA ASP A 333 2.531 18.494 -1.750 1.00 0.00 C ATOM 1059 C ASP A 333 2.039 17.114 -2.175 1.00 0.00 C ATOM 1060 O ASP A 333 2.264 16.124 -1.480 1.00 0.00 O ATOM 1061 CB ASP A 333 3.807 18.852 -2.513 1.00 0.00 C ATOM 1062 CG ASP A 333 3.518 19.524 -3.841 1.00 0.00 C ATOM 1063 OD1 ASP A 333 3.295 20.752 -3.848 1.00 0.00 O ATOM 1064 OD2 ASP A 333 3.515 18.821 -4.873 1.00 0.00 O ATOM 0 H ASP A 333 3.730 18.326 -0.038 1.00 0.00 H new ATOM 0 HA ASP A 333 1.758 19.225 -1.988 1.00 0.00 H new ATOM 0 HB2 ASP A 333 4.420 19.513 -1.900 1.00 0.00 H new ATOM 0 HB3 ASP A 333 4.389 17.947 -2.686 1.00 0.00 H new ATOM 1069 N GLN A 334 1.367 17.058 -3.320 1.00 0.00 N ATOM 1070 CA GLN A 334 0.842 15.800 -3.836 1.00 0.00 C ATOM 1071 C GLN A 334 1.974 14.843 -4.193 1.00 0.00 C ATOM 1072 O GLN A 334 1.856 13.631 -4.013 1.00 0.00 O ATOM 1073 CB GLN A 334 -0.034 16.054 -5.065 1.00 0.00 C ATOM 1074 CG GLN A 334 -1.103 14.995 -5.280 1.00 0.00 C ATOM 1075 CD GLN A 334 -2.029 15.326 -6.433 1.00 0.00 C ATOM 1076 OE1 GLN A 334 -2.977 16.097 -6.282 1.00 0.00 O ATOM 1077 NE2 GLN A 334 -1.759 14.744 -7.596 1.00 0.00 N ATOM 0 H GLN A 334 1.173 17.869 -3.908 1.00 0.00 H new ATOM 0 HA GLN A 334 0.236 15.341 -3.055 1.00 0.00 H new ATOM 0 HB2 GLN A 334 -0.514 17.027 -4.964 1.00 0.00 H new ATOM 0 HB3 GLN A 334 0.601 16.102 -5.950 1.00 0.00 H new ATOM 0 HG2 GLN A 334 -0.624 14.034 -5.468 1.00 0.00 H new ATOM 0 HG3 GLN A 334 -1.690 14.886 -4.368 1.00 0.00 H new ATOM 0 HE21 GLN A 334 -0.963 14.111 -7.677 1.00 0.00 H new ATOM 0 HE22 GLN A 334 -2.348 14.930 -8.408 1.00 0.00 H new ATOM 1086 N PHE A 335 3.071 15.395 -4.700 1.00 0.00 N ATOM 1087 CA PHE A 335 4.225 14.591 -5.084 1.00 0.00 C ATOM 1088 C PHE A 335 4.829 13.892 -3.869 1.00 0.00 C ATOM 1089 O PHE A 335 5.698 13.031 -4.004 1.00 0.00 O ATOM 1090 CB PHE A 335 5.282 15.466 -5.761 1.00 0.00 C ATOM 1091 CG PHE A 335 6.638 14.824 -5.829 1.00 0.00 C ATOM 1092 CD1 PHE A 335 6.797 13.569 -6.394 1.00 0.00 C ATOM 1093 CD2 PHE A 335 7.754 15.476 -5.329 1.00 0.00 C ATOM 1094 CE1 PHE A 335 8.044 12.976 -6.457 1.00 0.00 C ATOM 1095 CE2 PHE A 335 9.003 14.888 -5.390 1.00 0.00 C ATOM 1096 CZ PHE A 335 9.148 13.636 -5.956 1.00 0.00 C ATOM 0 H PHE A 335 3.185 16.397 -4.855 1.00 0.00 H new ATOM 0 HA PHE A 335 3.888 13.831 -5.789 1.00 0.00 H new ATOM 0 HB2 PHE A 335 4.951 15.705 -6.772 1.00 0.00 H new ATOM 0 HB3 PHE A 335 5.362 16.409 -5.220 1.00 0.00 H new ATOM 0 HD1 PHE A 335 5.937 13.048 -6.789 1.00 0.00 H new ATOM 0 HD2 PHE A 335 7.646 16.455 -4.886 1.00 0.00 H new ATOM 0 HE1 PHE A 335 8.155 11.996 -6.898 1.00 0.00 H new ATOM 0 HE2 PHE A 335 9.865 15.406 -4.996 1.00 0.00 H new ATOM 0 HZ PHE A 335 10.123 13.175 -6.006 1.00 0.00 H new ATOM 1106 N GLU A 336 4.363 14.272 -2.683 1.00 0.00 N ATOM 1107 CA GLU A 336 4.858 13.683 -1.444 1.00 0.00 C ATOM 1108 C GLU A 336 3.984 12.510 -1.012 1.00 0.00 C ATOM 1109 O GLU A 336 4.487 11.479 -0.564 1.00 0.00 O ATOM 1110 CB GLU A 336 4.903 14.736 -0.335 1.00 0.00 C ATOM 1111 CG GLU A 336 5.680 15.986 -0.714 1.00 0.00 C ATOM 1112 CD GLU A 336 7.156 15.879 -0.379 1.00 0.00 C ATOM 1113 OE1 GLU A 336 7.508 16.036 0.808 1.00 0.00 O ATOM 1114 OE2 GLU A 336 7.958 15.639 -1.306 1.00 0.00 O ATOM 0 H GLU A 336 3.644 14.984 -2.554 1.00 0.00 H new ATOM 0 HA GLU A 336 5.867 13.314 -1.625 1.00 0.00 H new ATOM 0 HB2 GLU A 336 3.884 15.018 -0.072 1.00 0.00 H new ATOM 0 HB3 GLU A 336 5.352 14.295 0.555 1.00 0.00 H new ATOM 0 HG2 GLU A 336 5.566 16.170 -1.782 1.00 0.00 H new ATOM 0 HG3 GLU A 336 5.255 16.845 -0.195 1.00 0.00 H new ATOM 1121 N ILE A 337 2.672 12.675 -1.148 1.00 0.00 N ATOM 1122 CA ILE A 337 1.728 11.631 -0.772 1.00 0.00 C ATOM 1123 C ILE A 337 1.813 10.444 -1.726 1.00 0.00 C ATOM 1124 O ILE A 337 1.844 9.290 -1.296 1.00 0.00 O ATOM 1125 CB ILE A 337 0.281 12.159 -0.756 1.00 0.00 C ATOM 1126 CG1 ILE A 337 0.121 13.237 0.318 1.00 0.00 C ATOM 1127 CG2 ILE A 337 -0.697 11.018 -0.519 1.00 0.00 C ATOM 1128 CD1 ILE A 337 0.467 14.628 -0.165 1.00 0.00 C ATOM 0 H ILE A 337 2.239 13.522 -1.516 1.00 0.00 H new ATOM 0 HA ILE A 337 1.999 11.307 0.233 1.00 0.00 H new ATOM 0 HB ILE A 337 0.061 12.604 -1.727 1.00 0.00 H new ATOM 0 HG12 ILE A 337 -0.908 13.231 0.676 1.00 0.00 H new ATOM 0 HG13 ILE A 337 0.756 12.988 1.168 1.00 0.00 H new ATOM 0 HG21 ILE A 337 -1.715 11.407 -0.510 1.00 0.00 H new ATOM 0 HG22 ILE A 337 -0.597 10.281 -1.316 1.00 0.00 H new ATOM 0 HG23 ILE A 337 -0.481 10.547 0.440 1.00 0.00 H new ATOM 0 HD11 ILE A 337 0.330 15.340 0.649 1.00 0.00 H new ATOM 0 HD12 ILE A 337 1.505 14.650 -0.496 1.00 0.00 H new ATOM 0 HD13 ILE A 337 -0.185 14.897 -0.996 1.00 0.00 H new ATOM 1140 N ILE A 338 1.851 10.735 -3.022 1.00 0.00 N ATOM 1141 CA ILE A 338 1.936 9.691 -4.036 1.00 0.00 C ATOM 1142 C ILE A 338 3.243 8.915 -3.919 1.00 0.00 C ATOM 1143 O ILE A 338 3.264 7.692 -4.052 1.00 0.00 O ATOM 1144 CB ILE A 338 1.824 10.276 -5.456 1.00 0.00 C ATOM 1145 CG1 ILE A 338 0.443 10.900 -5.668 1.00 0.00 C ATOM 1146 CG2 ILE A 338 2.090 9.198 -6.496 1.00 0.00 C ATOM 1147 CD1 ILE A 338 0.325 11.684 -6.956 1.00 0.00 C ATOM 0 H ILE A 338 1.824 11.684 -3.394 1.00 0.00 H new ATOM 0 HA ILE A 338 1.099 9.014 -3.863 1.00 0.00 H new ATOM 0 HB ILE A 338 2.576 11.057 -5.571 1.00 0.00 H new ATOM 0 HG12 ILE A 338 -0.308 10.110 -5.663 1.00 0.00 H new ATOM 0 HG13 ILE A 338 0.218 11.559 -4.829 1.00 0.00 H new ATOM 0 HG21 ILE A 338 2.007 9.627 -7.494 1.00 0.00 H new ATOM 0 HG22 ILE A 338 3.094 8.797 -6.356 1.00 0.00 H new ATOM 0 HG23 ILE A 338 1.360 8.396 -6.384 1.00 0.00 H new ATOM 0 HD11 ILE A 338 -0.680 12.097 -7.040 1.00 0.00 H new ATOM 0 HD12 ILE A 338 1.052 12.496 -6.956 1.00 0.00 H new ATOM 0 HD13 ILE A 338 0.518 11.025 -7.802 1.00 0.00 H new ATOM 1159 N GLU A 339 4.332 9.635 -3.667 1.00 0.00 N ATOM 1160 CA GLU A 339 5.644 9.013 -3.531 1.00 0.00 C ATOM 1161 C GLU A 339 5.758 8.269 -2.204 1.00 0.00 C ATOM 1162 O GLU A 339 6.280 7.156 -2.147 1.00 0.00 O ATOM 1163 CB GLU A 339 6.746 10.069 -3.632 1.00 0.00 C ATOM 1164 CG GLU A 339 8.085 9.509 -4.083 1.00 0.00 C ATOM 1165 CD GLU A 339 9.225 10.489 -3.882 1.00 0.00 C ATOM 1166 OE1 GLU A 339 9.072 11.418 -3.061 1.00 0.00 O ATOM 1167 OE2 GLU A 339 10.270 10.327 -4.547 1.00 0.00 O ATOM 0 H GLU A 339 4.332 10.649 -3.553 1.00 0.00 H new ATOM 0 HA GLU A 339 5.763 8.295 -4.342 1.00 0.00 H new ATOM 0 HB2 GLU A 339 6.432 10.844 -4.331 1.00 0.00 H new ATOM 0 HB3 GLU A 339 6.870 10.547 -2.660 1.00 0.00 H new ATOM 0 HG2 GLU A 339 8.296 8.593 -3.531 1.00 0.00 H new ATOM 0 HG3 GLU A 339 8.025 9.239 -5.137 1.00 0.00 H new ATOM 1174 N SER A 340 5.266 8.892 -1.138 1.00 0.00 N ATOM 1175 CA SER A 340 5.316 8.292 0.190 1.00 0.00 C ATOM 1176 C SER A 340 4.756 6.873 0.166 1.00 0.00 C ATOM 1177 O SER A 340 5.466 5.909 0.453 1.00 0.00 O ATOM 1178 CB SER A 340 4.530 9.145 1.188 1.00 0.00 C ATOM 1179 OG SER A 340 5.220 10.347 1.485 1.00 0.00 O ATOM 0 H SER A 340 4.828 9.813 -1.168 1.00 0.00 H new ATOM 0 HA SER A 340 6.359 8.248 0.503 1.00 0.00 H new ATOM 0 HB2 SER A 340 3.547 9.378 0.778 1.00 0.00 H new ATOM 0 HB3 SER A 340 4.367 8.579 2.105 1.00 0.00 H new ATOM 0 HG SER A 340 4.889 11.066 0.906 1.00 0.00 H new ATOM 1185 N PHE A 341 3.479 6.753 -0.179 1.00 0.00 N ATOM 1186 CA PHE A 341 2.822 5.452 -0.239 1.00 0.00 C ATOM 1187 C PHE A 341 3.771 4.389 -0.784 1.00 0.00 C ATOM 1188 O PHE A 341 4.059 3.398 -0.114 1.00 0.00 O ATOM 1189 CB PHE A 341 1.569 5.530 -1.115 1.00 0.00 C ATOM 1190 CG PHE A 341 0.743 4.276 -1.092 1.00 0.00 C ATOM 1191 CD1 PHE A 341 -0.103 4.008 -0.028 1.00 0.00 C ATOM 1192 CD2 PHE A 341 0.812 3.366 -2.134 1.00 0.00 C ATOM 1193 CE1 PHE A 341 -0.864 2.855 -0.004 1.00 0.00 C ATOM 1194 CE2 PHE A 341 0.053 2.211 -2.115 1.00 0.00 C ATOM 1195 CZ PHE A 341 -0.787 1.955 -1.049 1.00 0.00 C ATOM 0 H PHE A 341 2.878 7.541 -0.421 1.00 0.00 H new ATOM 0 HA PHE A 341 2.533 5.171 0.774 1.00 0.00 H new ATOM 0 HB2 PHE A 341 0.954 6.367 -0.783 1.00 0.00 H new ATOM 0 HB3 PHE A 341 1.866 5.741 -2.142 1.00 0.00 H new ATOM 0 HD1 PHE A 341 -0.168 4.708 0.792 1.00 0.00 H new ATOM 0 HD2 PHE A 341 1.466 3.561 -2.971 1.00 0.00 H new ATOM 0 HE1 PHE A 341 -1.519 2.657 0.832 1.00 0.00 H new ATOM 0 HE2 PHE A 341 0.117 1.509 -2.933 1.00 0.00 H new ATOM 0 HZ PHE A 341 -1.382 1.054 -1.033 1.00 0.00 H new ATOM 1205 N ASN A 342 4.254 4.603 -2.003 1.00 0.00 N ATOM 1206 CA ASN A 342 5.170 3.663 -2.639 1.00 0.00 C ATOM 1207 C ASN A 342 6.127 3.059 -1.615 1.00 0.00 C ATOM 1208 O ASN A 342 6.229 1.839 -1.492 1.00 0.00 O ATOM 1209 CB ASN A 342 5.963 4.361 -3.746 1.00 0.00 C ATOM 1210 CG ASN A 342 5.234 4.348 -5.076 1.00 0.00 C ATOM 1211 OD1 ASN A 342 5.716 3.778 -6.054 1.00 0.00 O ATOM 1212 ND2 ASN A 342 4.066 4.978 -5.116 1.00 0.00 N ATOM 0 H ASN A 342 4.026 5.419 -2.571 1.00 0.00 H new ATOM 0 HA ASN A 342 4.579 2.858 -3.077 1.00 0.00 H new ATOM 0 HB2 ASN A 342 6.160 5.392 -3.453 1.00 0.00 H new ATOM 0 HB3 ASN A 342 6.930 3.872 -3.860 1.00 0.00 H new ATOM 0 HD21 ASN A 342 3.529 5.003 -5.983 1.00 0.00 H new ATOM 0 HD22 ASN A 342 3.705 5.437 -4.280 1.00 0.00 H new ATOM 1219 N ILE A 343 6.824 3.922 -0.884 1.00 0.00 N ATOM 1220 CA ILE A 343 7.770 3.475 0.129 1.00 0.00 C ATOM 1221 C ILE A 343 7.086 2.594 1.170 1.00 0.00 C ATOM 1222 O ILE A 343 7.670 1.628 1.662 1.00 0.00 O ATOM 1223 CB ILE A 343 8.439 4.666 0.841 1.00 0.00 C ATOM 1224 CG1 ILE A 343 9.300 5.458 -0.144 1.00 0.00 C ATOM 1225 CG2 ILE A 343 9.277 4.179 2.013 1.00 0.00 C ATOM 1226 CD1 ILE A 343 8.549 6.569 -0.846 1.00 0.00 C ATOM 0 H ILE A 343 6.751 4.935 -0.975 1.00 0.00 H new ATOM 0 HA ILE A 343 8.535 2.896 -0.388 1.00 0.00 H new ATOM 0 HB ILE A 343 7.661 5.325 1.225 1.00 0.00 H new ATOM 0 HG12 ILE A 343 10.149 5.885 0.390 1.00 0.00 H new ATOM 0 HG13 ILE A 343 9.704 4.775 -0.891 1.00 0.00 H new ATOM 0 HG21 ILE A 343 9.743 5.032 2.506 1.00 0.00 H new ATOM 0 HG22 ILE A 343 8.639 3.654 2.723 1.00 0.00 H new ATOM 0 HG23 ILE A 343 10.051 3.502 1.651 1.00 0.00 H new ATOM 0 HD11 ILE A 343 9.222 7.088 -1.529 1.00 0.00 H new ATOM 0 HD12 ILE A 343 7.716 6.147 -1.408 1.00 0.00 H new ATOM 0 HD13 ILE A 343 8.168 7.274 -0.107 1.00 0.00 H new ATOM 1238 N VAL A 344 5.844 2.933 1.499 1.00 0.00 N ATOM 1239 CA VAL A 344 5.078 2.172 2.479 1.00 0.00 C ATOM 1240 C VAL A 344 4.649 0.823 1.914 1.00 0.00 C ATOM 1241 O VAL A 344 4.993 -0.226 2.457 1.00 0.00 O ATOM 1242 CB VAL A 344 3.827 2.946 2.937 1.00 0.00 C ATOM 1243 CG1 VAL A 344 2.993 2.098 3.886 1.00 0.00 C ATOM 1244 CG2 VAL A 344 4.224 4.260 3.591 1.00 0.00 C ATOM 0 H VAL A 344 5.347 3.730 1.101 1.00 0.00 H new ATOM 0 HA VAL A 344 5.731 2.012 3.337 1.00 0.00 H new ATOM 0 HB VAL A 344 3.219 3.172 2.061 1.00 0.00 H new ATOM 0 HG11 VAL A 344 2.114 2.661 4.199 1.00 0.00 H new ATOM 0 HG12 VAL A 344 2.679 1.186 3.378 1.00 0.00 H new ATOM 0 HG13 VAL A 344 3.589 1.839 4.761 1.00 0.00 H new ATOM 0 HG21 VAL A 344 3.328 4.794 3.908 1.00 0.00 H new ATOM 0 HG22 VAL A 344 4.853 4.059 4.458 1.00 0.00 H new ATOM 0 HG23 VAL A 344 4.776 4.870 2.876 1.00 0.00 H new ATOM 1254 N ALA A 345 3.897 0.858 0.819 1.00 0.00 N ATOM 1255 CA ALA A 345 3.423 -0.362 0.177 1.00 0.00 C ATOM 1256 C ALA A 345 4.471 -1.467 0.258 1.00 0.00 C ATOM 1257 O ALA A 345 4.272 -2.478 0.932 1.00 0.00 O ATOM 1258 CB ALA A 345 3.054 -0.087 -1.273 1.00 0.00 C ATOM 0 H ALA A 345 3.603 1.719 0.358 1.00 0.00 H new ATOM 0 HA ALA A 345 2.533 -0.701 0.708 1.00 0.00 H new ATOM 0 HB1 ALA A 345 2.702 -1.007 -1.740 1.00 0.00 H new ATOM 0 HB2 ALA A 345 2.265 0.664 -1.312 1.00 0.00 H new ATOM 0 HB3 ALA A 345 3.930 0.279 -1.808 1.00 0.00 H new ATOM 1264 N LYS A 346 5.588 -1.268 -0.433 1.00 0.00 N ATOM 1265 CA LYS A 346 6.669 -2.247 -0.440 1.00 0.00 C ATOM 1266 C LYS A 346 7.028 -2.670 0.980 1.00 0.00 C ATOM 1267 O LYS A 346 7.352 -3.831 1.228 1.00 0.00 O ATOM 1268 CB LYS A 346 7.902 -1.671 -1.140 1.00 0.00 C ATOM 1269 CG LYS A 346 8.441 -0.412 -0.484 1.00 0.00 C ATOM 1270 CD LYS A 346 9.781 -0.005 -1.073 1.00 0.00 C ATOM 1271 CE LYS A 346 10.923 -0.809 -0.469 1.00 0.00 C ATOM 1272 NZ LYS A 346 12.225 -0.096 -0.587 1.00 0.00 N ATOM 0 H LYS A 346 5.769 -0.437 -0.996 1.00 0.00 H new ATOM 0 HA LYS A 346 6.327 -3.126 -0.986 1.00 0.00 H new ATOM 0 HB2 LYS A 346 8.687 -2.427 -1.156 1.00 0.00 H new ATOM 0 HB3 LYS A 346 7.651 -1.451 -2.178 1.00 0.00 H new ATOM 0 HG2 LYS A 346 7.725 0.400 -0.611 1.00 0.00 H new ATOM 0 HG3 LYS A 346 8.549 -0.577 0.588 1.00 0.00 H new ATOM 0 HD2 LYS A 346 9.764 -0.150 -2.153 1.00 0.00 H new ATOM 0 HD3 LYS A 346 9.950 1.057 -0.897 1.00 0.00 H new ATOM 0 HE2 LYS A 346 10.712 -1.008 0.582 1.00 0.00 H new ATOM 0 HE3 LYS A 346 10.991 -1.775 -0.969 1.00 0.00 H new ATOM 0 HZ1 LYS A 346 12.978 -0.676 -0.164 1.00 0.00 H new ATOM 0 HZ2 LYS A 346 12.439 0.071 -1.591 1.00 0.00 H new ATOM 0 HZ3 LYS A 346 12.168 0.815 -0.088 1.00 0.00 H new ATOM 1286 N GLU A 347 6.968 -1.721 1.909 1.00 0.00 N ATOM 1287 CA GLU A 347 7.287 -1.998 3.305 1.00 0.00 C ATOM 1288 C GLU A 347 6.401 -3.112 3.855 1.00 0.00 C ATOM 1289 O GLU A 347 6.862 -3.974 4.603 1.00 0.00 O ATOM 1290 CB GLU A 347 7.118 -0.733 4.150 1.00 0.00 C ATOM 1291 CG GLU A 347 7.899 -0.763 5.453 1.00 0.00 C ATOM 1292 CD GLU A 347 9.372 -0.458 5.257 1.00 0.00 C ATOM 1293 OE1 GLU A 347 9.953 -0.952 4.268 1.00 0.00 O ATOM 1294 OE2 GLU A 347 9.943 0.274 6.092 1.00 0.00 O ATOM 0 H GLU A 347 6.702 -0.755 1.721 1.00 0.00 H new ATOM 0 HA GLU A 347 8.326 -2.325 3.356 1.00 0.00 H new ATOM 0 HB2 GLU A 347 7.436 0.130 3.565 1.00 0.00 H new ATOM 0 HB3 GLU A 347 6.060 -0.594 4.373 1.00 0.00 H new ATOM 0 HG2 GLU A 347 7.471 -0.039 6.146 1.00 0.00 H new ATOM 0 HG3 GLU A 347 7.793 -1.745 5.913 1.00 0.00 H new ATOM 1301 N VAL A 348 5.127 -3.087 3.479 1.00 0.00 N ATOM 1302 CA VAL A 348 4.176 -4.095 3.933 1.00 0.00 C ATOM 1303 C VAL A 348 4.273 -5.362 3.090 1.00 0.00 C ATOM 1304 O VAL A 348 4.195 -6.475 3.611 1.00 0.00 O ATOM 1305 CB VAL A 348 2.730 -3.566 3.882 1.00 0.00 C ATOM 1306 CG1 VAL A 348 1.763 -4.600 4.438 1.00 0.00 C ATOM 1307 CG2 VAL A 348 2.616 -2.254 4.643 1.00 0.00 C ATOM 0 H VAL A 348 4.729 -2.380 2.861 1.00 0.00 H new ATOM 0 HA VAL A 348 4.433 -4.330 4.966 1.00 0.00 H new ATOM 0 HB VAL A 348 2.466 -3.380 2.841 1.00 0.00 H new ATOM 0 HG11 VAL A 348 0.747 -4.209 4.394 1.00 0.00 H new ATOM 0 HG12 VAL A 348 1.826 -5.513 3.846 1.00 0.00 H new ATOM 0 HG13 VAL A 348 2.022 -4.821 5.474 1.00 0.00 H new ATOM 0 HG21 VAL A 348 1.588 -1.895 4.597 1.00 0.00 H new ATOM 0 HG22 VAL A 348 2.899 -2.411 5.684 1.00 0.00 H new ATOM 0 HG23 VAL A 348 3.279 -1.514 4.195 1.00 0.00 H new ATOM 1317 N PHE A 349 4.443 -5.185 1.784 1.00 0.00 N ATOM 1318 CA PHE A 349 4.550 -6.314 0.867 1.00 0.00 C ATOM 1319 C PHE A 349 5.611 -7.302 1.343 1.00 0.00 C ATOM 1320 O PHE A 349 5.292 -8.404 1.790 1.00 0.00 O ATOM 1321 CB PHE A 349 4.890 -5.823 -0.542 1.00 0.00 C ATOM 1322 CG PHE A 349 3.679 -5.515 -1.377 1.00 0.00 C ATOM 1323 CD1 PHE A 349 2.761 -4.563 -0.965 1.00 0.00 C ATOM 1324 CD2 PHE A 349 3.461 -6.178 -2.574 1.00 0.00 C ATOM 1325 CE1 PHE A 349 1.647 -4.279 -1.731 1.00 0.00 C ATOM 1326 CE2 PHE A 349 2.348 -5.898 -3.344 1.00 0.00 C ATOM 1327 CZ PHE A 349 1.440 -4.946 -2.923 1.00 0.00 C ATOM 0 H PHE A 349 4.510 -4.271 1.337 1.00 0.00 H new ATOM 0 HA PHE A 349 3.587 -6.824 0.844 1.00 0.00 H new ATOM 0 HB2 PHE A 349 5.507 -4.928 -0.467 1.00 0.00 H new ATOM 0 HB3 PHE A 349 5.488 -6.581 -1.048 1.00 0.00 H new ATOM 0 HD1 PHE A 349 2.918 -4.037 -0.035 1.00 0.00 H new ATOM 0 HD2 PHE A 349 4.169 -6.922 -2.909 1.00 0.00 H new ATOM 0 HE1 PHE A 349 0.938 -3.536 -1.398 1.00 0.00 H new ATOM 0 HE2 PHE A 349 2.188 -6.423 -4.274 1.00 0.00 H new ATOM 0 HZ PHE A 349 0.571 -4.724 -3.524 1.00 0.00 H new ATOM 1337 N ARG A 350 6.874 -6.899 1.243 1.00 0.00 N ATOM 1338 CA ARG A 350 7.982 -7.749 1.660 1.00 0.00 C ATOM 1339 C ARG A 350 7.600 -8.579 2.883 1.00 0.00 C ATOM 1340 O ARG A 350 7.909 -9.768 2.959 1.00 0.00 O ATOM 1341 CB ARG A 350 9.215 -6.899 1.973 1.00 0.00 C ATOM 1342 CG ARG A 350 9.006 -5.921 3.117 1.00 0.00 C ATOM 1343 CD ARG A 350 10.007 -4.777 3.063 1.00 0.00 C ATOM 1344 NE ARG A 350 10.294 -4.237 4.389 1.00 0.00 N ATOM 1345 CZ ARG A 350 10.992 -4.888 5.313 1.00 0.00 C ATOM 1346 NH1 ARG A 350 11.472 -6.097 5.056 1.00 0.00 N ATOM 1347 NH2 ARG A 350 11.211 -4.330 6.496 1.00 0.00 N ATOM 0 H ARG A 350 7.155 -5.989 0.877 1.00 0.00 H new ATOM 0 HA ARG A 350 8.215 -8.428 0.839 1.00 0.00 H new ATOM 0 HB2 ARG A 350 10.048 -7.558 2.217 1.00 0.00 H new ATOM 0 HB3 ARG A 350 9.500 -6.344 1.079 1.00 0.00 H new ATOM 0 HG2 ARG A 350 7.993 -5.521 3.075 1.00 0.00 H new ATOM 0 HG3 ARG A 350 9.102 -6.446 4.068 1.00 0.00 H new ATOM 0 HD2 ARG A 350 10.933 -5.127 2.606 1.00 0.00 H new ATOM 0 HD3 ARG A 350 9.617 -3.984 2.425 1.00 0.00 H new ATOM 0 HE ARG A 350 9.939 -3.309 4.618 1.00 0.00 H new ATOM 0 HH11 ARG A 350 11.306 -6.529 4.147 1.00 0.00 H new ATOM 0 HH12 ARG A 350 12.008 -6.595 5.767 1.00 0.00 H new ATOM 0 HH21 ARG A 350 10.843 -3.400 6.697 1.00 0.00 H new ATOM 0 HH22 ARG A 350 11.747 -4.831 7.205 1.00 0.00 H new ATOM 1361 N SER A 351 6.927 -7.943 3.836 1.00 0.00 N ATOM 1362 CA SER A 351 6.507 -8.621 5.057 1.00 0.00 C ATOM 1363 C SER A 351 5.505 -9.729 4.746 1.00 0.00 C ATOM 1364 O SER A 351 5.650 -10.860 5.210 1.00 0.00 O ATOM 1365 CB SER A 351 5.890 -7.620 6.035 1.00 0.00 C ATOM 1366 OG SER A 351 6.781 -6.550 6.299 1.00 0.00 O ATOM 0 H SER A 351 6.661 -6.960 3.787 1.00 0.00 H new ATOM 0 HA SER A 351 7.388 -9.070 5.515 1.00 0.00 H new ATOM 0 HB2 SER A 351 4.960 -7.229 5.622 1.00 0.00 H new ATOM 0 HB3 SER A 351 5.638 -8.126 6.967 1.00 0.00 H new ATOM 0 HG SER A 351 6.618 -5.824 5.662 1.00 0.00 H new ATOM 1372 N ILE A 352 4.489 -9.394 3.957 1.00 0.00 N ATOM 1373 CA ILE A 352 3.463 -10.360 3.583 1.00 0.00 C ATOM 1374 C ILE A 352 4.054 -11.496 2.754 1.00 0.00 C ATOM 1375 O ILE A 352 3.738 -12.666 2.972 1.00 0.00 O ATOM 1376 CB ILE A 352 2.327 -9.693 2.784 1.00 0.00 C ATOM 1377 CG1 ILE A 352 1.553 -8.719 3.674 1.00 0.00 C ATOM 1378 CG2 ILE A 352 1.395 -10.749 2.208 1.00 0.00 C ATOM 1379 CD1 ILE A 352 0.606 -7.823 2.907 1.00 0.00 C ATOM 0 H ILE A 352 4.355 -8.462 3.565 1.00 0.00 H new ATOM 0 HA ILE A 352 3.056 -10.764 4.510 1.00 0.00 H new ATOM 0 HB ILE A 352 2.763 -9.132 1.958 1.00 0.00 H new ATOM 0 HG12 ILE A 352 0.986 -9.286 4.412 1.00 0.00 H new ATOM 0 HG13 ILE A 352 2.262 -8.100 4.223 1.00 0.00 H new ATOM 0 HG21 ILE A 352 0.597 -10.263 1.646 1.00 0.00 H new ATOM 0 HG22 ILE A 352 1.957 -11.407 1.545 1.00 0.00 H new ATOM 0 HG23 ILE A 352 0.962 -11.334 3.020 1.00 0.00 H new ATOM 0 HD11 ILE A 352 0.091 -7.159 3.601 1.00 0.00 H new ATOM 0 HD12 ILE A 352 1.170 -7.229 2.187 1.00 0.00 H new ATOM 0 HD13 ILE A 352 -0.126 -8.434 2.379 1.00 0.00 H new