USER MOD reduce.3.24.130724 H: found=0, std=0, add=276, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 272 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 129 CYS SG : rot -154:sc= -2.29! USER MOD Set 1.2: A 132 CYS SG : rot 108:sc= -0.649 USER MOD Set 1.3: A 134 SER OG : rot -156:sc= 1.65 USER MOD Set 1.4: A 154 CYS SG : rot 7:sc= -5.99! USER MOD Set 1.5: A 157 CYS SG : rot -66:sc= -3.39! USER MOD Set 1.6: A 159 THR OG1 : rot 93:sc= -2.56! USER MOD Set 2.1: A 149 THR OG1 : rot -107:sc= 1.21 USER MOD Set 2.2: A 151 THR OG1 : rot -151:sc= 1.05 USER MOD Single : A 126 SER OG : rot 62:sc= 0.558 USER MOD Single : A 128 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 133 SER OG : rot 52:sc= -0.651! USER MOD Single : A 135 THR OG1 : rot 180:sc= -1.94! USER MOD Single : A 137 THR OG1 : rot -150:sc= -0.0883 USER MOD Single : A 142 ASN : amide:sc= -0.0399 X(o=-0.04,f=0) USER MOD Single : A 143 GLN : amide:sc= -2.5! C(o=-2.5!,f=-1.9!) USER MOD Single : A 148 MET CE :methyl -161:sc= -0.739 (180deg=-2.32!) USER MOD Single : A 155 THR OG1 : rot 180:sc= -0.641 USER MOD Single : A 158 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 211 N SER A 126 8.490 4.000 0.589 1.00 0.00 N ATOM 212 CA SER A 126 9.154 2.906 1.350 1.00 0.00 C ATOM 213 C SER A 126 10.625 3.251 1.549 1.00 0.00 C ATOM 214 O SER A 126 11.497 2.722 0.890 1.00 0.00 O ATOM 215 CB SER A 126 9.006 1.663 0.480 1.00 0.00 C ATOM 216 OG SER A 126 9.564 1.916 -0.802 1.00 0.00 O ATOM 0 HA SER A 126 8.716 2.755 2.337 1.00 0.00 H new ATOM 0 HB2 SER A 126 9.509 0.816 0.947 1.00 0.00 H new ATOM 0 HB3 SER A 126 7.954 1.395 0.385 1.00 0.00 H new ATOM 0 HG SER A 126 10.519 2.115 -0.710 1.00 0.00 H new ATOM 222 N PHE A 127 10.904 4.154 2.440 1.00 0.00 N ATOM 223 CA PHE A 127 12.317 4.562 2.673 1.00 0.00 C ATOM 224 C PHE A 127 12.883 3.849 3.899 1.00 0.00 C ATOM 225 O PHE A 127 12.155 3.324 4.718 1.00 0.00 O ATOM 226 CB PHE A 127 12.268 6.077 2.902 1.00 0.00 C ATOM 227 CG PHE A 127 11.180 6.684 2.047 1.00 0.00 C ATOM 228 CD1 PHE A 127 11.418 6.953 0.695 1.00 0.00 C ATOM 229 CD2 PHE A 127 9.925 6.952 2.605 1.00 0.00 C ATOM 230 CE1 PHE A 127 10.403 7.496 -0.099 1.00 0.00 C ATOM 231 CE2 PHE A 127 8.908 7.490 1.812 1.00 0.00 C ATOM 232 CZ PHE A 127 9.146 7.764 0.459 1.00 0.00 C ATOM 0 H PHE A 127 10.214 4.631 3.021 1.00 0.00 H new ATOM 0 HA PHE A 127 12.961 4.301 1.833 1.00 0.00 H new ATOM 0 HB2 PHE A 127 12.079 6.290 3.954 1.00 0.00 H new ATOM 0 HB3 PHE A 127 13.231 6.524 2.654 1.00 0.00 H new ATOM 0 HD1 PHE A 127 12.386 6.741 0.264 1.00 0.00 H new ATOM 0 HD2 PHE A 127 9.742 6.743 3.649 1.00 0.00 H new ATOM 0 HE1 PHE A 127 10.588 7.709 -1.142 1.00 0.00 H new ATOM 0 HE2 PHE A 127 7.939 7.695 2.242 1.00 0.00 H new ATOM 0 HZ PHE A 127 8.361 8.182 -0.154 1.00 0.00 H new ATOM 242 N LYS A 128 14.177 3.831 4.027 1.00 0.00 N ATOM 243 CA LYS A 128 14.801 3.156 5.196 1.00 0.00 C ATOM 244 C LYS A 128 15.997 3.968 5.694 1.00 0.00 C ATOM 245 O LYS A 128 16.663 4.643 4.934 1.00 0.00 O ATOM 246 CB LYS A 128 15.247 1.788 4.672 1.00 0.00 C ATOM 247 CG LYS A 128 16.293 1.190 5.616 1.00 0.00 C ATOM 248 CD LYS A 128 15.960 -0.278 5.885 1.00 0.00 C ATOM 249 CE LYS A 128 15.954 -0.533 7.394 1.00 0.00 C ATOM 250 NZ LYS A 128 16.151 -2.004 7.536 1.00 0.00 N ATOM 0 H LYS A 128 14.832 4.256 3.371 1.00 0.00 H new ATOM 0 HA LYS A 128 14.115 3.060 6.038 1.00 0.00 H new ATOM 0 HB2 LYS A 128 14.389 1.120 4.594 1.00 0.00 H new ATOM 0 HB3 LYS A 128 15.663 1.890 3.670 1.00 0.00 H new ATOM 0 HG2 LYS A 128 17.286 1.273 5.175 1.00 0.00 H new ATOM 0 HG3 LYS A 128 16.313 1.747 6.553 1.00 0.00 H new ATOM 0 HD2 LYS A 128 14.987 -0.525 5.460 1.00 0.00 H new ATOM 0 HD3 LYS A 128 16.693 -0.923 5.400 1.00 0.00 H new ATOM 0 HE2 LYS A 128 16.749 0.022 7.891 1.00 0.00 H new ATOM 0 HE3 LYS A 128 15.014 -0.215 7.845 1.00 0.00 H new ATOM 0 HZ1 LYS A 128 16.158 -2.258 8.545 1.00 0.00 H new ATOM 0 HZ2 LYS A 128 15.375 -2.506 7.058 1.00 0.00 H new ATOM 0 HZ3 LYS A 128 17.057 -2.276 7.104 1.00 0.00 H new ATOM 264 N CYS A 129 16.268 3.913 6.967 1.00 0.00 N ATOM 265 CA CYS A 129 17.414 4.684 7.519 1.00 0.00 C ATOM 266 C CYS A 129 18.684 3.825 7.511 1.00 0.00 C ATOM 267 O CYS A 129 18.653 2.670 7.885 1.00 0.00 O ATOM 268 CB CYS A 129 16.996 5.028 8.946 1.00 0.00 C ATOM 269 SG CYS A 129 18.286 6.005 9.738 1.00 0.00 S ATOM 0 H CYS A 129 15.744 3.366 7.650 1.00 0.00 H new ATOM 0 HA CYS A 129 17.640 5.576 6.935 1.00 0.00 H new ATOM 0 HB2 CYS A 129 16.059 5.585 8.936 1.00 0.00 H new ATOM 0 HB3 CYS A 129 16.818 4.114 9.513 1.00 0.00 H new ATOM 0 HG CYS A 129 18.226 5.840 11.026 1.00 0.00 H new ATOM 274 N PRO A 130 19.757 4.423 7.070 1.00 0.00 N ATOM 275 CA PRO A 130 21.053 3.708 6.991 1.00 0.00 C ATOM 276 C PRO A 130 21.759 3.666 8.355 1.00 0.00 C ATOM 277 O PRO A 130 22.714 2.939 8.539 1.00 0.00 O ATOM 278 CB PRO A 130 21.855 4.544 5.999 1.00 0.00 C ATOM 279 CG PRO A 130 21.268 5.922 6.065 1.00 0.00 C ATOM 280 CD PRO A 130 19.861 5.806 6.602 1.00 0.00 C ATOM 0 HA PRO A 130 20.938 2.667 6.689 1.00 0.00 H new ATOM 0 HB2 PRO A 130 22.913 4.556 6.262 1.00 0.00 H new ATOM 0 HB3 PRO A 130 21.781 4.134 4.992 1.00 0.00 H new ATOM 0 HG2 PRO A 130 21.870 6.562 6.710 1.00 0.00 H new ATOM 0 HG3 PRO A 130 21.262 6.381 5.076 1.00 0.00 H new ATOM 0 HD2 PRO A 130 19.687 6.513 7.413 1.00 0.00 H new ATOM 0 HD3 PRO A 130 19.123 6.019 5.829 1.00 0.00 H new ATOM 288 N VAL A 131 21.312 4.439 9.310 1.00 0.00 N ATOM 289 CA VAL A 131 21.985 4.426 10.641 1.00 0.00 C ATOM 290 C VAL A 131 21.261 3.491 11.613 1.00 0.00 C ATOM 291 O VAL A 131 21.748 2.427 11.939 1.00 0.00 O ATOM 292 CB VAL A 131 21.940 5.874 11.134 1.00 0.00 C ATOM 293 CG1 VAL A 131 22.190 5.914 12.644 1.00 0.00 C ATOM 294 CG2 VAL A 131 23.028 6.679 10.420 1.00 0.00 C ATOM 0 H VAL A 131 20.517 5.073 9.227 1.00 0.00 H new ATOM 0 HA VAL A 131 23.008 4.057 10.571 1.00 0.00 H new ATOM 0 HB VAL A 131 20.960 6.301 10.920 1.00 0.00 H new ATOM 0 HG11 VAL A 131 22.157 6.947 12.991 1.00 0.00 H new ATOM 0 HG12 VAL A 131 21.421 5.335 13.156 1.00 0.00 H new ATOM 0 HG13 VAL A 131 23.170 5.489 12.862 1.00 0.00 H new ATOM 0 HG21 VAL A 131 23.002 7.712 10.766 1.00 0.00 H new ATOM 0 HG22 VAL A 131 24.004 6.247 10.640 1.00 0.00 H new ATOM 0 HG23 VAL A 131 22.854 6.652 9.344 1.00 0.00 H new ATOM 304 N CYS A 132 20.108 3.875 12.085 1.00 0.00 N ATOM 305 CA CYS A 132 19.376 2.992 13.041 1.00 0.00 C ATOM 306 C CYS A 132 18.559 1.939 12.275 1.00 0.00 C ATOM 307 O CYS A 132 17.704 1.275 12.827 1.00 0.00 O ATOM 308 CB CYS A 132 18.486 3.926 13.871 1.00 0.00 C ATOM 309 SG CYS A 132 17.057 4.462 12.903 1.00 0.00 S ATOM 0 H CYS A 132 19.643 4.753 11.854 1.00 0.00 H new ATOM 0 HA CYS A 132 20.050 2.433 13.690 1.00 0.00 H new ATOM 0 HB2 CYS A 132 18.151 3.413 14.772 1.00 0.00 H new ATOM 0 HB3 CYS A 132 19.061 4.794 14.194 1.00 0.00 H new ATOM 0 HG CYS A 132 15.986 3.875 13.349 1.00 0.00 H new ATOM 314 N SER A 133 18.849 1.769 11.009 1.00 0.00 N ATOM 315 CA SER A 133 18.138 0.746 10.179 1.00 0.00 C ATOM 316 C SER A 133 16.623 0.811 10.365 1.00 0.00 C ATOM 317 O SER A 133 15.933 -0.177 10.212 1.00 0.00 O ATOM 318 CB SER A 133 18.676 -0.607 10.649 1.00 0.00 C ATOM 319 OG SER A 133 18.885 -0.579 12.054 1.00 0.00 O ATOM 0 H SER A 133 19.559 2.303 10.508 1.00 0.00 H new ATOM 0 HA SER A 133 18.316 0.917 9.117 1.00 0.00 H new ATOM 0 HB2 SER A 133 17.971 -1.398 10.392 1.00 0.00 H new ATOM 0 HB3 SER A 133 19.611 -0.835 10.137 1.00 0.00 H new ATOM 0 HG SER A 133 18.070 -0.268 12.500 1.00 0.00 H new ATOM 325 N SER A 134 16.090 1.957 10.667 1.00 0.00 N ATOM 326 CA SER A 134 14.615 2.055 10.824 1.00 0.00 C ATOM 327 C SER A 134 13.969 2.065 9.437 1.00 0.00 C ATOM 328 O SER A 134 14.606 1.757 8.450 1.00 0.00 O ATOM 329 CB SER A 134 14.373 3.378 11.545 1.00 0.00 C ATOM 330 OG SER A 134 14.565 3.202 12.945 1.00 0.00 O ATOM 0 H SER A 134 16.606 2.825 10.811 1.00 0.00 H new ATOM 0 HA SER A 134 14.190 1.220 11.382 1.00 0.00 H new ATOM 0 HB2 SER A 134 15.055 4.140 11.167 1.00 0.00 H new ATOM 0 HB3 SER A 134 13.361 3.731 11.348 1.00 0.00 H new ATOM 0 HG SER A 134 14.064 3.889 13.433 1.00 0.00 H new ATOM 336 N THR A 135 12.718 2.417 9.342 1.00 0.00 N ATOM 337 CA THR A 135 12.068 2.440 8.002 1.00 0.00 C ATOM 338 C THR A 135 10.823 3.324 8.015 1.00 0.00 C ATOM 339 O THR A 135 10.239 3.584 9.048 1.00 0.00 O ATOM 340 CB THR A 135 11.686 0.989 7.715 1.00 0.00 C ATOM 341 OG1 THR A 135 12.686 0.126 8.238 1.00 0.00 O ATOM 342 CG2 THR A 135 11.567 0.787 6.205 1.00 0.00 C ATOM 0 H THR A 135 12.122 2.687 10.125 1.00 0.00 H new ATOM 0 HA THR A 135 12.733 2.848 7.241 1.00 0.00 H new ATOM 0 HB THR A 135 10.730 0.760 8.186 1.00 0.00 H new ATOM 0 HG1 THR A 135 12.442 -0.806 8.056 1.00 0.00 H new ATOM 0 HG21 THR A 135 11.294 -0.248 5.997 1.00 0.00 H new ATOM 0 HG22 THR A 135 10.799 1.451 5.808 1.00 0.00 H new ATOM 0 HG23 THR A 135 12.522 1.013 5.731 1.00 0.00 H new ATOM 350 N PHE A 136 10.414 3.782 6.866 1.00 0.00 N ATOM 351 CA PHE A 136 9.203 4.645 6.792 1.00 0.00 C ATOM 352 C PHE A 136 8.524 4.471 5.434 1.00 0.00 C ATOM 353 O PHE A 136 9.109 3.974 4.492 1.00 0.00 O ATOM 354 CB PHE A 136 9.717 6.078 6.938 1.00 0.00 C ATOM 355 CG PHE A 136 10.711 6.158 8.072 1.00 0.00 C ATOM 356 CD1 PHE A 136 10.260 6.179 9.397 1.00 0.00 C ATOM 357 CD2 PHE A 136 12.082 6.221 7.796 1.00 0.00 C ATOM 358 CE1 PHE A 136 11.182 6.263 10.448 1.00 0.00 C ATOM 359 CE2 PHE A 136 13.002 6.306 8.846 1.00 0.00 C ATOM 360 CZ PHE A 136 12.553 6.327 10.171 1.00 0.00 C ATOM 0 H PHE A 136 10.868 3.595 5.972 1.00 0.00 H new ATOM 0 HA PHE A 136 8.473 4.393 7.561 1.00 0.00 H new ATOM 0 HB2 PHE A 136 10.186 6.401 6.009 1.00 0.00 H new ATOM 0 HB3 PHE A 136 8.883 6.755 7.126 1.00 0.00 H new ATOM 0 HD1 PHE A 136 9.202 6.130 9.609 1.00 0.00 H new ATOM 0 HD2 PHE A 136 12.429 6.204 6.773 1.00 0.00 H new ATOM 0 HE1 PHE A 136 10.836 6.278 11.471 1.00 0.00 H new ATOM 0 HE2 PHE A 136 14.060 6.355 8.634 1.00 0.00 H new ATOM 0 HZ PHE A 136 13.265 6.393 10.981 1.00 0.00 H new ATOM 370 N THR A 137 7.297 4.887 5.325 1.00 0.00 N ATOM 371 CA THR A 137 6.574 4.762 4.029 1.00 0.00 C ATOM 372 C THR A 137 6.259 6.159 3.486 1.00 0.00 C ATOM 373 O THR A 137 6.801 7.145 3.944 1.00 0.00 O ATOM 374 CB THR A 137 5.285 4.010 4.365 1.00 0.00 C ATOM 375 OG1 THR A 137 4.942 4.247 5.724 1.00 0.00 O ATOM 376 CG2 THR A 137 5.498 2.512 4.143 1.00 0.00 C ATOM 0 H THR A 137 6.759 5.311 6.081 1.00 0.00 H new ATOM 0 HA THR A 137 7.156 4.241 3.269 1.00 0.00 H new ATOM 0 HB THR A 137 4.478 4.360 3.721 1.00 0.00 H new ATOM 0 HG1 THR A 137 4.463 3.470 6.081 1.00 0.00 H new ATOM 0 HG21 THR A 137 4.580 1.975 4.382 1.00 0.00 H new ATOM 0 HG22 THR A 137 5.763 2.333 3.101 1.00 0.00 H new ATOM 0 HG23 THR A 137 6.303 2.160 4.788 1.00 0.00 H new ATOM 384 N ASP A 138 5.390 6.258 2.520 1.00 0.00 N ATOM 385 CA ASP A 138 5.056 7.601 1.968 1.00 0.00 C ATOM 386 C ASP A 138 4.376 8.457 3.040 1.00 0.00 C ATOM 387 O ASP A 138 4.708 9.610 3.228 1.00 0.00 O ATOM 388 CB ASP A 138 4.107 7.346 0.796 1.00 0.00 C ATOM 389 CG ASP A 138 3.036 6.328 1.199 1.00 0.00 C ATOM 390 OD1 ASP A 138 2.988 5.974 2.364 1.00 0.00 O ATOM 391 OD2 ASP A 138 2.282 5.921 0.331 1.00 0.00 O ATOM 0 H ASP A 138 4.899 5.474 2.091 1.00 0.00 H new ATOM 0 HA ASP A 138 5.947 8.140 1.646 1.00 0.00 H new ATOM 0 HB2 ASP A 138 3.636 8.280 0.490 1.00 0.00 H new ATOM 0 HB3 ASP A 138 4.668 6.976 -0.062 1.00 0.00 H new ATOM 396 N LEU A 139 3.431 7.903 3.750 1.00 0.00 N ATOM 397 CA LEU A 139 2.744 8.691 4.811 1.00 0.00 C ATOM 398 C LEU A 139 3.786 9.314 5.745 1.00 0.00 C ATOM 399 O LEU A 139 3.552 10.332 6.366 1.00 0.00 O ATOM 400 CB LEU A 139 1.874 7.681 5.562 1.00 0.00 C ATOM 401 CG LEU A 139 2.758 6.800 6.448 1.00 0.00 C ATOM 402 CD1 LEU A 139 2.725 7.327 7.884 1.00 0.00 C ATOM 403 CD2 LEU A 139 2.236 5.362 6.421 1.00 0.00 C ATOM 0 H LEU A 139 3.106 6.942 3.641 1.00 0.00 H new ATOM 0 HA LEU A 139 2.146 9.507 4.406 1.00 0.00 H new ATOM 0 HB2 LEU A 139 1.137 8.203 6.172 1.00 0.00 H new ATOM 0 HB3 LEU A 139 1.322 7.064 4.853 1.00 0.00 H new ATOM 0 HG LEU A 139 3.782 6.822 6.075 1.00 0.00 H new ATOM 0 HD11 LEU A 139 3.354 6.700 8.516 1.00 0.00 H new ATOM 0 HD12 LEU A 139 3.096 8.352 7.904 1.00 0.00 H new ATOM 0 HD13 LEU A 139 1.701 7.305 8.256 1.00 0.00 H new ATOM 0 HD21 LEU A 139 2.866 4.735 7.052 1.00 0.00 H new ATOM 0 HD22 LEU A 139 1.212 5.340 6.794 1.00 0.00 H new ATOM 0 HD23 LEU A 139 2.258 4.986 5.398 1.00 0.00 H new ATOM 415 N GLU A 140 4.940 8.709 5.840 1.00 0.00 N ATOM 416 CA GLU A 140 6.006 9.263 6.723 1.00 0.00 C ATOM 417 C GLU A 140 6.919 10.186 5.912 1.00 0.00 C ATOM 418 O GLU A 140 7.713 10.928 6.455 1.00 0.00 O ATOM 419 CB GLU A 140 6.783 8.044 7.222 1.00 0.00 C ATOM 420 CG GLU A 140 5.909 7.237 8.183 1.00 0.00 C ATOM 421 CD GLU A 140 6.649 7.050 9.508 1.00 0.00 C ATOM 422 OE1 GLU A 140 7.227 8.013 9.983 1.00 0.00 O ATOM 423 OE2 GLU A 140 6.626 5.945 10.026 1.00 0.00 O ATOM 0 H GLU A 140 5.190 7.854 5.343 1.00 0.00 H new ATOM 0 HA GLU A 140 5.602 9.850 7.548 1.00 0.00 H new ATOM 0 HB2 GLU A 140 7.084 7.422 6.379 1.00 0.00 H new ATOM 0 HB3 GLU A 140 7.696 8.363 7.725 1.00 0.00 H new ATOM 0 HG2 GLU A 140 4.963 7.752 8.352 1.00 0.00 H new ATOM 0 HG3 GLU A 140 5.670 6.267 7.747 1.00 0.00 H new ATOM 430 N ALA A 141 6.810 10.140 4.612 1.00 0.00 N ATOM 431 CA ALA A 141 7.667 11.007 3.755 1.00 0.00 C ATOM 432 C ALA A 141 7.232 12.470 3.874 1.00 0.00 C ATOM 433 O ALA A 141 8.049 13.365 3.960 1.00 0.00 O ATOM 434 CB ALA A 141 7.441 10.494 2.332 1.00 0.00 C ATOM 0 H ALA A 141 6.162 9.537 4.105 1.00 0.00 H new ATOM 0 HA ALA A 141 8.717 10.967 4.044 1.00 0.00 H new ATOM 0 HB1 ALA A 141 8.038 11.081 1.634 1.00 0.00 H new ATOM 0 HB2 ALA A 141 7.737 9.447 2.271 1.00 0.00 H new ATOM 0 HB3 ALA A 141 6.386 10.588 2.075 1.00 0.00 H new ATOM 440 N ASN A 142 5.951 12.720 3.876 1.00 0.00 N ATOM 441 CA ASN A 142 5.466 14.127 3.986 1.00 0.00 C ATOM 442 C ASN A 142 5.789 14.695 5.369 1.00 0.00 C ATOM 443 O ASN A 142 5.606 15.869 5.626 1.00 0.00 O ATOM 444 CB ASN A 142 3.953 14.040 3.783 1.00 0.00 C ATOM 445 CG ASN A 142 3.652 13.735 2.315 1.00 0.00 C ATOM 446 OD1 ASN A 142 3.471 14.636 1.520 1.00 0.00 O ATOM 447 ND2 ASN A 142 3.592 12.493 1.919 1.00 0.00 N ATOM 0 H ASN A 142 5.220 12.013 3.806 1.00 0.00 H new ATOM 0 HA ASN A 142 5.940 14.784 3.257 1.00 0.00 H new ATOM 0 HB2 ASN A 142 3.534 13.261 4.421 1.00 0.00 H new ATOM 0 HB3 ASN A 142 3.482 14.979 4.075 1.00 0.00 H new ATOM 0 HD21 ASN A 142 3.393 12.278 0.942 1.00 0.00 H new ATOM 0 HD22 ASN A 142 3.744 11.737 2.587 1.00 0.00 H new ATOM 454 N GLN A 143 6.270 13.876 6.263 1.00 0.00 N ATOM 455 CA GLN A 143 6.606 14.375 7.626 1.00 0.00 C ATOM 456 C GLN A 143 8.113 14.268 7.873 1.00 0.00 C ATOM 457 O GLN A 143 8.686 15.045 8.611 1.00 0.00 O ATOM 458 CB GLN A 143 5.838 13.461 8.583 1.00 0.00 C ATOM 459 CG GLN A 143 6.265 12.010 8.358 1.00 0.00 C ATOM 460 CD GLN A 143 5.799 11.152 9.535 1.00 0.00 C ATOM 461 OE1 GLN A 143 6.489 11.036 10.528 1.00 0.00 O ATOM 462 NE2 GLN A 143 4.648 10.542 9.467 1.00 0.00 N ATOM 0 H GLN A 143 6.445 12.883 6.109 1.00 0.00 H new ATOM 0 HA GLN A 143 6.337 15.423 7.760 1.00 0.00 H new ATOM 0 HB2 GLN A 143 6.033 13.752 9.615 1.00 0.00 H new ATOM 0 HB3 GLN A 143 4.765 13.565 8.419 1.00 0.00 H new ATOM 0 HG2 GLN A 143 5.837 11.634 7.429 1.00 0.00 H new ATOM 0 HG3 GLN A 143 7.349 11.950 8.257 1.00 0.00 H new ATOM 0 HE21 GLN A 143 4.068 10.639 8.634 1.00 0.00 H new ATOM 0 HE22 GLN A 143 4.328 9.968 10.247 1.00 0.00 H new ATOM 471 N LEU A 144 8.758 13.314 7.262 1.00 0.00 N ATOM 472 CA LEU A 144 10.228 13.162 7.463 1.00 0.00 C ATOM 473 C LEU A 144 10.990 14.011 6.440 1.00 0.00 C ATOM 474 O LEU A 144 12.197 14.132 6.495 1.00 0.00 O ATOM 475 CB LEU A 144 10.508 11.675 7.236 1.00 0.00 C ATOM 476 CG LEU A 144 9.990 10.869 8.428 1.00 0.00 C ATOM 477 CD1 LEU A 144 10.299 9.386 8.215 1.00 0.00 C ATOM 478 CD2 LEU A 144 10.677 11.352 9.707 1.00 0.00 C ATOM 0 H LEU A 144 8.333 12.633 6.633 1.00 0.00 H new ATOM 0 HA LEU A 144 10.546 13.491 8.452 1.00 0.00 H new ATOM 0 HB2 LEU A 144 10.024 11.339 6.319 1.00 0.00 H new ATOM 0 HB3 LEU A 144 11.578 11.511 7.110 1.00 0.00 H new ATOM 0 HG LEU A 144 8.913 11.007 8.518 1.00 0.00 H new ATOM 0 HD11 LEU A 144 9.930 8.812 9.065 1.00 0.00 H new ATOM 0 HD12 LEU A 144 9.811 9.040 7.304 1.00 0.00 H new ATOM 0 HD13 LEU A 144 11.376 9.248 8.125 1.00 0.00 H new ATOM 0 HD21 LEU A 144 10.308 10.778 10.557 1.00 0.00 H new ATOM 0 HD22 LEU A 144 11.754 11.214 9.616 1.00 0.00 H new ATOM 0 HD23 LEU A 144 10.458 12.409 9.861 1.00 0.00 H new ATOM 490 N PHE A 145 10.290 14.596 5.506 1.00 0.00 N ATOM 491 CA PHE A 145 10.970 15.433 4.474 1.00 0.00 C ATOM 492 C PHE A 145 11.467 16.746 5.087 1.00 0.00 C ATOM 493 O PHE A 145 10.910 17.247 6.044 1.00 0.00 O ATOM 494 CB PHE A 145 9.894 15.705 3.421 1.00 0.00 C ATOM 495 CG PHE A 145 10.518 16.368 2.216 1.00 0.00 C ATOM 496 CD1 PHE A 145 11.664 15.818 1.629 1.00 0.00 C ATOM 497 CD2 PHE A 145 9.948 17.531 1.686 1.00 0.00 C ATOM 498 CE1 PHE A 145 12.240 16.432 0.511 1.00 0.00 C ATOM 499 CE2 PHE A 145 10.525 18.144 0.567 1.00 0.00 C ATOM 500 CZ PHE A 145 11.670 17.596 -0.021 1.00 0.00 C ATOM 0 H PHE A 145 9.276 14.531 5.412 1.00 0.00 H new ATOM 0 HA PHE A 145 11.844 14.937 4.052 1.00 0.00 H new ATOM 0 HB2 PHE A 145 9.415 14.771 3.127 1.00 0.00 H new ATOM 0 HB3 PHE A 145 9.116 16.345 3.838 1.00 0.00 H new ATOM 0 HD1 PHE A 145 12.103 14.920 2.039 1.00 0.00 H new ATOM 0 HD2 PHE A 145 9.064 17.955 2.139 1.00 0.00 H new ATOM 0 HE1 PHE A 145 13.124 16.008 0.058 1.00 0.00 H new ATOM 0 HE2 PHE A 145 10.085 19.041 0.157 1.00 0.00 H new ATOM 0 HZ PHE A 145 12.114 18.070 -0.884 1.00 0.00 H new ATOM 510 N ASP A 146 12.510 17.308 4.536 1.00 0.00 N ATOM 511 CA ASP A 146 13.046 18.590 5.080 1.00 0.00 C ATOM 512 C ASP A 146 13.543 19.479 3.934 1.00 0.00 C ATOM 513 O ASP A 146 14.254 19.024 3.061 1.00 0.00 O ATOM 514 CB ASP A 146 14.210 18.181 5.984 1.00 0.00 C ATOM 515 CG ASP A 146 13.779 18.280 7.448 1.00 0.00 C ATOM 516 OD1 ASP A 146 13.236 19.308 7.817 1.00 0.00 O ATOM 517 OD2 ASP A 146 13.998 17.325 8.175 1.00 0.00 O ATOM 0 H ASP A 146 13.014 16.934 3.732 1.00 0.00 H new ATOM 0 HA ASP A 146 12.291 19.159 5.622 1.00 0.00 H new ATOM 0 HB2 ASP A 146 14.522 17.162 5.754 1.00 0.00 H new ATOM 0 HB3 ASP A 146 15.069 18.826 5.803 1.00 0.00 H new ATOM 522 N PRO A 147 13.146 20.723 3.977 1.00 0.00 N ATOM 523 CA PRO A 147 13.551 21.689 2.926 1.00 0.00 C ATOM 524 C PRO A 147 15.029 22.063 3.076 1.00 0.00 C ATOM 525 O PRO A 147 15.737 22.231 2.103 1.00 0.00 O ATOM 526 CB PRO A 147 12.658 22.898 3.188 1.00 0.00 C ATOM 527 CG PRO A 147 12.294 22.804 4.637 1.00 0.00 C ATOM 528 CD PRO A 147 12.292 21.340 4.997 1.00 0.00 C ATOM 0 HA PRO A 147 13.441 21.291 1.917 1.00 0.00 H new ATOM 0 HB2 PRO A 147 13.181 23.829 2.972 1.00 0.00 H new ATOM 0 HB3 PRO A 147 11.770 22.877 2.556 1.00 0.00 H new ATOM 0 HG2 PRO A 147 13.010 23.351 5.251 1.00 0.00 H new ATOM 0 HG3 PRO A 147 11.315 23.247 4.818 1.00 0.00 H new ATOM 0 HD2 PRO A 147 12.685 21.175 6.000 1.00 0.00 H new ATOM 0 HD3 PRO A 147 11.284 20.926 4.978 1.00 0.00 H new ATOM 536 N MET A 148 15.498 22.196 4.286 1.00 0.00 N ATOM 537 CA MET A 148 16.929 22.563 4.494 1.00 0.00 C ATOM 538 C MET A 148 17.843 21.595 3.738 1.00 0.00 C ATOM 539 O MET A 148 18.960 21.926 3.393 1.00 0.00 O ATOM 540 CB MET A 148 17.154 22.446 6.001 1.00 0.00 C ATOM 541 CG MET A 148 17.009 20.984 6.430 1.00 0.00 C ATOM 542 SD MET A 148 17.039 20.884 8.236 1.00 0.00 S ATOM 543 CE MET A 148 18.398 22.048 8.502 1.00 0.00 C ATOM 0 H MET A 148 14.954 22.067 5.139 1.00 0.00 H new ATOM 0 HA MET A 148 17.154 23.563 4.124 1.00 0.00 H new ATOM 0 HB2 MET A 148 18.146 22.815 6.260 1.00 0.00 H new ATOM 0 HB3 MET A 148 16.434 23.065 6.536 1.00 0.00 H new ATOM 0 HG2 MET A 148 16.075 20.572 6.047 1.00 0.00 H new ATOM 0 HG3 MET A 148 17.818 20.387 6.008 1.00 0.00 H new ATOM 0 HE1 MET A 148 18.816 21.898 9.497 1.00 0.00 H new ATOM 0 HE2 MET A 148 19.173 21.880 7.754 1.00 0.00 H new ATOM 0 HE3 MET A 148 18.025 23.069 8.415 1.00 0.00 H new ATOM 553 N THR A 149 17.381 20.403 3.481 1.00 0.00 N ATOM 554 CA THR A 149 18.230 19.419 2.749 1.00 0.00 C ATOM 555 C THR A 149 17.500 18.902 1.505 1.00 0.00 C ATOM 556 O THR A 149 18.113 18.443 0.562 1.00 0.00 O ATOM 557 CB THR A 149 18.468 18.284 3.746 1.00 0.00 C ATOM 558 OG1 THR A 149 19.073 17.187 3.076 1.00 0.00 O ATOM 559 CG2 THR A 149 17.132 17.843 4.349 1.00 0.00 C ATOM 0 H THR A 149 16.455 20.067 3.745 1.00 0.00 H new ATOM 0 HA THR A 149 19.164 19.860 2.402 1.00 0.00 H new ATOM 0 HB THR A 149 19.126 18.631 4.543 1.00 0.00 H new ATOM 0 HG1 THR A 149 18.418 16.465 2.973 1.00 0.00 H new ATOM 0 HG21 THR A 149 17.303 17.034 5.059 1.00 0.00 H new ATOM 0 HG22 THR A 149 16.669 18.685 4.863 1.00 0.00 H new ATOM 0 HG23 THR A 149 16.472 17.495 3.555 1.00 0.00 H new ATOM 567 N GLY A 150 16.197 18.971 1.495 1.00 0.00 N ATOM 568 CA GLY A 150 15.435 18.481 0.309 1.00 0.00 C ATOM 569 C GLY A 150 15.382 16.952 0.335 1.00 0.00 C ATOM 570 O GLY A 150 15.419 16.303 -0.692 1.00 0.00 O ATOM 0 H GLY A 150 15.627 19.344 2.254 1.00 0.00 H new ATOM 0 HA2 GLY A 150 14.425 18.891 0.317 1.00 0.00 H new ATOM 0 HA3 GLY A 150 15.911 18.824 -0.610 1.00 0.00 H new ATOM 574 N THR A 151 15.294 16.373 1.500 1.00 0.00 N ATOM 575 CA THR A 151 15.236 14.885 1.594 1.00 0.00 C ATOM 576 C THR A 151 14.448 14.472 2.840 1.00 0.00 C ATOM 577 O THR A 151 13.939 15.303 3.566 1.00 0.00 O ATOM 578 CB THR A 151 16.693 14.431 1.710 1.00 0.00 C ATOM 579 OG1 THR A 151 17.532 15.562 1.906 1.00 0.00 O ATOM 580 CG2 THR A 151 17.108 13.703 0.430 1.00 0.00 C ATOM 0 H THR A 151 15.260 16.865 2.393 1.00 0.00 H new ATOM 0 HA THR A 151 14.740 14.436 0.733 1.00 0.00 H new ATOM 0 HB THR A 151 16.792 13.755 2.559 1.00 0.00 H new ATOM 0 HG1 THR A 151 18.420 15.379 1.534 1.00 0.00 H new ATOM 0 HG21 THR A 151 18.146 13.381 0.515 1.00 0.00 H new ATOM 0 HG22 THR A 151 16.469 12.833 0.283 1.00 0.00 H new ATOM 0 HG23 THR A 151 17.006 14.376 -0.421 1.00 0.00 H new ATOM 588 N PHE A 152 14.350 13.197 3.100 1.00 0.00 N ATOM 589 CA PHE A 152 13.603 12.742 4.303 1.00 0.00 C ATOM 590 C PHE A 152 14.588 12.410 5.423 1.00 0.00 C ATOM 591 O PHE A 152 15.516 11.647 5.240 1.00 0.00 O ATOM 592 CB PHE A 152 12.846 11.493 3.854 1.00 0.00 C ATOM 593 CG PHE A 152 12.166 11.767 2.533 1.00 0.00 C ATOM 594 CD1 PHE A 152 11.040 12.599 2.484 1.00 0.00 C ATOM 595 CD2 PHE A 152 12.663 11.192 1.358 1.00 0.00 C ATOM 596 CE1 PHE A 152 10.412 12.854 1.259 1.00 0.00 C ATOM 597 CE2 PHE A 152 12.035 11.448 0.133 1.00 0.00 C ATOM 598 CZ PHE A 152 10.909 12.279 0.082 1.00 0.00 C ATOM 0 H PHE A 152 14.755 12.453 2.532 1.00 0.00 H new ATOM 0 HA PHE A 152 12.924 13.502 4.689 1.00 0.00 H new ATOM 0 HB2 PHE A 152 13.534 10.653 3.754 1.00 0.00 H new ATOM 0 HB3 PHE A 152 12.107 11.212 4.605 1.00 0.00 H new ATOM 0 HD1 PHE A 152 10.657 13.043 3.391 1.00 0.00 H new ATOM 0 HD2 PHE A 152 13.531 10.551 1.396 1.00 0.00 H new ATOM 0 HE1 PHE A 152 9.543 13.495 1.221 1.00 0.00 H new ATOM 0 HE2 PHE A 152 12.419 11.004 -0.773 1.00 0.00 H new ATOM 0 HZ PHE A 152 10.425 12.476 -0.863 1.00 0.00 H new ATOM 608 N ARG A 153 14.405 12.987 6.576 1.00 0.00 N ATOM 609 CA ARG A 153 15.343 12.712 7.699 1.00 0.00 C ATOM 610 C ARG A 153 14.701 11.778 8.725 1.00 0.00 C ATOM 611 O ARG A 153 13.538 11.903 9.054 1.00 0.00 O ATOM 612 CB ARG A 153 15.627 14.077 8.325 1.00 0.00 C ATOM 613 CG ARG A 153 16.823 14.723 7.621 1.00 0.00 C ATOM 614 CD ARG A 153 17.515 15.699 8.575 1.00 0.00 C ATOM 615 NE ARG A 153 18.885 15.874 8.018 1.00 0.00 N ATOM 616 CZ ARG A 153 19.926 15.771 8.797 1.00 0.00 C ATOM 617 NH1 ARG A 153 20.266 16.768 9.567 1.00 0.00 N ATOM 618 NH2 ARG A 153 20.628 14.671 8.805 1.00 0.00 N ATOM 0 H ARG A 153 13.648 13.636 6.790 1.00 0.00 H new ATOM 0 HA ARG A 153 16.253 12.220 7.355 1.00 0.00 H new ATOM 0 HB2 ARG A 153 14.750 14.718 8.238 1.00 0.00 H new ATOM 0 HB3 ARG A 153 15.835 13.965 9.389 1.00 0.00 H new ATOM 0 HG2 ARG A 153 17.526 13.955 7.298 1.00 0.00 H new ATOM 0 HG3 ARG A 153 16.491 15.248 6.726 1.00 0.00 H new ATOM 0 HD2 ARG A 153 16.983 16.649 8.622 1.00 0.00 H new ATOM 0 HD3 ARG A 153 17.549 15.302 9.590 1.00 0.00 H new ATOM 0 HE ARG A 153 19.009 16.075 7.026 1.00 0.00 H new ATOM 0 HH11 ARG A 153 19.718 17.628 9.560 1.00 0.00 H new ATOM 0 HH12 ARG A 153 21.080 16.687 10.176 1.00 0.00 H new ATOM 0 HH21 ARG A 153 20.363 13.892 8.202 1.00 0.00 H new ATOM 0 HH22 ARG A 153 21.442 14.590 9.414 1.00 0.00 H new ATOM 632 N CYS A 154 15.460 10.850 9.235 1.00 0.00 N ATOM 633 CA CYS A 154 14.920 9.905 10.253 1.00 0.00 C ATOM 634 C CYS A 154 14.117 10.676 11.305 1.00 0.00 C ATOM 635 O CYS A 154 14.083 11.890 11.304 1.00 0.00 O ATOM 636 CB CYS A 154 16.167 9.284 10.875 1.00 0.00 C ATOM 637 SG CYS A 154 15.729 7.812 11.828 1.00 0.00 S ATOM 0 H CYS A 154 16.439 10.704 8.989 1.00 0.00 H new ATOM 0 HA CYS A 154 14.249 9.157 9.832 1.00 0.00 H new ATOM 0 HB2 CYS A 154 16.879 9.020 10.093 1.00 0.00 H new ATOM 0 HB3 CYS A 154 16.659 10.011 11.522 1.00 0.00 H new ATOM 0 HG CYS A 154 14.473 7.534 11.644 1.00 0.00 H new ATOM 642 N THR A 155 13.470 9.987 12.204 1.00 0.00 N ATOM 643 CA THR A 155 12.674 10.698 13.244 1.00 0.00 C ATOM 644 C THR A 155 13.237 10.423 14.641 1.00 0.00 C ATOM 645 O THR A 155 12.956 11.140 15.580 1.00 0.00 O ATOM 646 CB THR A 155 11.252 10.146 13.119 1.00 0.00 C ATOM 647 OG1 THR A 155 11.185 9.236 12.029 1.00 0.00 O ATOM 648 CG2 THR A 155 10.277 11.301 12.883 1.00 0.00 C ATOM 0 H THR A 155 13.458 8.969 12.264 1.00 0.00 H new ATOM 0 HA THR A 155 12.703 11.778 13.103 1.00 0.00 H new ATOM 0 HB THR A 155 10.984 9.625 14.038 1.00 0.00 H new ATOM 0 HG1 THR A 155 10.274 8.883 11.953 1.00 0.00 H new ATOM 0 HG21 THR A 155 9.264 10.909 12.794 1.00 0.00 H new ATOM 0 HG22 THR A 155 10.325 11.995 13.722 1.00 0.00 H new ATOM 0 HG23 THR A 155 10.546 11.823 11.965 1.00 0.00 H new ATOM 656 N PHE A 156 14.030 9.397 14.793 1.00 0.00 N ATOM 657 CA PHE A 156 14.598 9.105 16.142 1.00 0.00 C ATOM 658 C PHE A 156 16.111 9.315 16.133 1.00 0.00 C ATOM 659 O PHE A 156 16.682 9.823 17.078 1.00 0.00 O ATOM 660 CB PHE A 156 14.254 7.644 16.478 1.00 0.00 C ATOM 661 CG PHE A 156 13.666 6.924 15.286 1.00 0.00 C ATOM 662 CD1 PHE A 156 14.493 6.514 14.237 1.00 0.00 C ATOM 663 CD2 PHE A 156 12.291 6.667 15.234 1.00 0.00 C ATOM 664 CE1 PHE A 156 13.947 5.848 13.136 1.00 0.00 C ATOM 665 CE2 PHE A 156 11.743 6.001 14.133 1.00 0.00 C ATOM 666 CZ PHE A 156 12.572 5.591 13.082 1.00 0.00 C ATOM 0 H PHE A 156 14.307 8.754 14.051 1.00 0.00 H new ATOM 0 HA PHE A 156 14.179 9.775 16.893 1.00 0.00 H new ATOM 0 HB2 PHE A 156 15.153 7.125 16.811 1.00 0.00 H new ATOM 0 HB3 PHE A 156 13.546 7.617 17.306 1.00 0.00 H new ATOM 0 HD1 PHE A 156 15.554 6.712 14.277 1.00 0.00 H new ATOM 0 HD2 PHE A 156 11.652 6.983 16.045 1.00 0.00 H new ATOM 0 HE1 PHE A 156 14.587 5.531 12.326 1.00 0.00 H new ATOM 0 HE2 PHE A 156 10.682 5.803 14.094 1.00 0.00 H new ATOM 0 HZ PHE A 156 12.151 5.077 12.230 1.00 0.00 H new ATOM 676 N CYS A 157 16.767 8.941 15.071 1.00 0.00 N ATOM 677 CA CYS A 157 18.243 9.137 15.006 1.00 0.00 C ATOM 678 C CYS A 157 18.574 10.176 13.917 1.00 0.00 C ATOM 679 O CYS A 157 19.692 10.287 13.454 1.00 0.00 O ATOM 680 CB CYS A 157 18.815 7.732 14.730 1.00 0.00 C ATOM 681 SG CYS A 157 19.291 7.523 12.995 1.00 0.00 S ATOM 0 H CYS A 157 16.348 8.509 14.247 1.00 0.00 H new ATOM 0 HA CYS A 157 18.682 9.537 15.920 1.00 0.00 H new ATOM 0 HB2 CYS A 157 19.683 7.562 15.367 1.00 0.00 H new ATOM 0 HB3 CYS A 157 18.072 6.980 14.996 1.00 0.00 H new ATOM 0 HG CYS A 157 18.230 7.571 12.245 1.00 0.00 H new ATOM 686 N HIS A 158 17.589 10.950 13.542 1.00 0.00 N ATOM 687 CA HIS A 158 17.767 12.028 12.517 1.00 0.00 C ATOM 688 C HIS A 158 18.788 11.669 11.430 1.00 0.00 C ATOM 689 O HIS A 158 19.421 12.539 10.865 1.00 0.00 O ATOM 690 CB HIS A 158 18.238 13.242 13.315 1.00 0.00 C ATOM 691 CG HIS A 158 17.034 13.975 13.840 1.00 0.00 C ATOM 692 ND1 HIS A 158 16.374 14.938 13.096 1.00 0.00 N ATOM 693 CD2 HIS A 158 16.353 13.885 15.028 1.00 0.00 C ATOM 694 CE1 HIS A 158 15.343 15.386 13.836 1.00 0.00 C ATOM 695 NE2 HIS A 158 15.285 14.777 15.023 1.00 0.00 N ATOM 0 H HIS A 158 16.641 10.879 13.913 1.00 0.00 H new ATOM 0 HA HIS A 158 16.837 12.201 11.975 1.00 0.00 H new ATOM 0 HB2 HIS A 158 18.877 12.926 14.140 1.00 0.00 H new ATOM 0 HB3 HIS A 158 18.835 13.900 12.683 1.00 0.00 H new ATOM 0 HD2 HIS A 158 16.607 13.223 15.843 1.00 0.00 H new ATOM 0 HE1 HIS A 158 14.648 16.145 13.510 1.00 0.00 H new ATOM 0 HE2 HIS A 158 14.604 14.932 15.766 1.00 0.00 H new ATOM 703 N THR A 159 18.936 10.419 11.100 1.00 0.00 N ATOM 704 CA THR A 159 19.897 10.061 10.018 1.00 0.00 C ATOM 705 C THR A 159 19.190 10.157 8.663 1.00 0.00 C ATOM 706 O THR A 159 17.990 9.993 8.568 1.00 0.00 O ATOM 707 CB THR A 159 20.309 8.618 10.308 1.00 0.00 C ATOM 708 OG1 THR A 159 21.231 8.594 11.392 1.00 0.00 O ATOM 709 CG2 THR A 159 20.962 8.006 9.065 1.00 0.00 C ATOM 0 H THR A 159 18.440 9.636 11.526 1.00 0.00 H new ATOM 0 HA THR A 159 20.762 10.724 9.986 1.00 0.00 H new ATOM 0 HB THR A 159 19.425 8.038 10.571 1.00 0.00 H new ATOM 0 HG1 THR A 159 20.745 8.461 12.232 1.00 0.00 H new ATOM 0 HG21 THR A 159 21.254 6.977 9.277 1.00 0.00 H new ATOM 0 HG22 THR A 159 20.253 8.019 8.238 1.00 0.00 H new ATOM 0 HG23 THR A 159 21.845 8.586 8.795 1.00 0.00 H new ATOM 717 N GLU A 160 19.918 10.420 7.615 1.00 0.00 N ATOM 718 CA GLU A 160 19.277 10.525 6.271 1.00 0.00 C ATOM 719 C GLU A 160 18.755 9.156 5.826 1.00 0.00 C ATOM 720 O GLU A 160 19.494 8.197 5.739 1.00 0.00 O ATOM 721 CB GLU A 160 20.389 11.002 5.336 1.00 0.00 C ATOM 722 CG GLU A 160 19.915 12.237 4.566 1.00 0.00 C ATOM 723 CD GLU A 160 18.894 11.816 3.506 1.00 0.00 C ATOM 724 OE1 GLU A 160 18.296 10.766 3.672 1.00 0.00 O ATOM 725 OE2 GLU A 160 18.728 12.552 2.547 1.00 0.00 O ATOM 0 H GLU A 160 20.927 10.567 7.628 1.00 0.00 H new ATOM 0 HA GLU A 160 18.426 11.206 6.273 1.00 0.00 H new ATOM 0 HB2 GLU A 160 21.284 11.240 5.910 1.00 0.00 H new ATOM 0 HB3 GLU A 160 20.659 10.208 4.640 1.00 0.00 H new ATOM 0 HG2 GLU A 160 19.468 12.957 5.252 1.00 0.00 H new ATOM 0 HG3 GLU A 160 20.763 12.732 4.093 1.00 0.00 H new ATOM 732 N VAL A 161 17.483 9.058 5.543 1.00 0.00 N ATOM 733 CA VAL A 161 16.916 7.749 5.104 1.00 0.00 C ATOM 734 C VAL A 161 17.071 7.581 3.590 1.00 0.00 C ATOM 735 O VAL A 161 17.460 8.495 2.890 1.00 0.00 O ATOM 736 CB VAL A 161 15.436 7.810 5.481 1.00 0.00 C ATOM 737 CG1 VAL A 161 15.297 8.072 6.980 1.00 0.00 C ATOM 738 CG2 VAL A 161 14.759 8.939 4.705 1.00 0.00 C ATOM 0 H VAL A 161 16.813 9.826 5.597 1.00 0.00 H new ATOM 0 HA VAL A 161 17.425 6.906 5.572 1.00 0.00 H new ATOM 0 HB VAL A 161 14.962 6.860 5.234 1.00 0.00 H new ATOM 0 HG11 VAL A 161 14.241 8.115 7.245 1.00 0.00 H new ATOM 0 HG12 VAL A 161 15.779 7.268 7.536 1.00 0.00 H new ATOM 0 HG13 VAL A 161 15.773 9.021 7.229 1.00 0.00 H new ATOM 0 HG21 VAL A 161 13.703 8.983 4.973 1.00 0.00 H new ATOM 0 HG22 VAL A 161 15.236 9.887 4.952 1.00 0.00 H new ATOM 0 HG23 VAL A 161 14.854 8.753 3.635 1.00 0.00 H new ATOM 748 N GLU A 162 16.767 6.417 3.082 1.00 0.00 N ATOM 749 CA GLU A 162 16.892 6.188 1.614 1.00 0.00 C ATOM 750 C GLU A 162 15.848 5.167 1.149 1.00 0.00 C ATOM 751 O GLU A 162 15.519 4.235 1.855 1.00 0.00 O ATOM 752 CB GLU A 162 18.308 5.646 1.418 1.00 0.00 C ATOM 753 CG GLU A 162 19.278 6.815 1.231 1.00 0.00 C ATOM 754 CD GLU A 162 20.264 6.488 0.110 1.00 0.00 C ATOM 755 OE1 GLU A 162 20.387 5.321 -0.223 1.00 0.00 O ATOM 756 OE2 GLU A 162 20.882 7.410 -0.396 1.00 0.00 O ATOM 0 H GLU A 162 16.438 5.615 3.620 1.00 0.00 H new ATOM 0 HA GLU A 162 16.723 7.096 1.035 1.00 0.00 H new ATOM 0 HB2 GLU A 162 18.603 5.048 2.280 1.00 0.00 H new ATOM 0 HB3 GLU A 162 18.341 4.989 0.549 1.00 0.00 H new ATOM 0 HG2 GLU A 162 18.726 7.724 0.990 1.00 0.00 H new ATOM 0 HG3 GLU A 162 19.817 7.006 2.159 1.00 0.00 H new ATOM 763 N GLU A 163 15.321 5.341 -0.032 1.00 0.00 N ATOM 764 CA GLU A 163 14.293 4.387 -0.544 1.00 0.00 C ATOM 765 C GLU A 163 14.761 2.940 -0.360 1.00 0.00 C ATOM 766 O GLU A 163 15.873 2.589 -0.702 1.00 0.00 O ATOM 767 CB GLU A 163 14.155 4.722 -2.028 1.00 0.00 C ATOM 768 CG GLU A 163 13.578 6.131 -2.182 1.00 0.00 C ATOM 769 CD GLU A 163 13.520 6.500 -3.665 1.00 0.00 C ATOM 770 OE1 GLU A 163 12.799 5.835 -4.393 1.00 0.00 O ATOM 771 OE2 GLU A 163 14.197 7.439 -4.050 1.00 0.00 O ATOM 0 H GLU A 163 15.558 6.104 -0.667 1.00 0.00 H new ATOM 0 HA GLU A 163 13.346 4.477 -0.011 1.00 0.00 H new ATOM 0 HB2 GLU A 163 15.127 4.660 -2.518 1.00 0.00 H new ATOM 0 HB3 GLU A 163 13.505 3.996 -2.517 1.00 0.00 H new ATOM 0 HG2 GLU A 163 12.580 6.176 -1.746 1.00 0.00 H new ATOM 0 HG3 GLU A 163 14.195 6.849 -1.642 1.00 0.00 H new ATOM 778 N ASP A 164 13.918 2.098 0.173 1.00 0.00 N ATOM 779 CA ASP A 164 14.310 0.672 0.373 1.00 0.00 C ATOM 780 C ASP A 164 13.635 -0.214 -0.676 1.00 0.00 C ATOM 781 O ASP A 164 12.427 -0.346 -0.708 1.00 0.00 O ATOM 782 CB ASP A 164 13.812 0.318 1.776 1.00 0.00 C ATOM 783 CG ASP A 164 14.334 -1.065 2.171 1.00 0.00 C ATOM 784 OD1 ASP A 164 13.881 -2.037 1.587 1.00 0.00 O ATOM 785 OD2 ASP A 164 15.176 -1.130 3.050 1.00 0.00 O ATOM 0 H ASP A 164 12.974 2.335 0.479 1.00 0.00 H new ATOM 0 HA ASP A 164 15.385 0.520 0.272 1.00 0.00 H new ATOM 0 HB2 ASP A 164 14.152 1.065 2.493 1.00 0.00 H new ATOM 0 HB3 ASP A 164 12.722 0.327 1.799 1.00 0.00 H new