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 151:sc= -2.25! USER MOD Set 1.2: A 132 CYS SG : rot 110:sc= -2.41! USER MOD Set 1.3: A 134 SER OG : rot -159:sc= 2.01 USER MOD Set 1.4: A 154 CYS SG : rot 7:sc= -5.81! USER MOD Set 1.5: A 157 CYS SG : rot 35:sc= -1.94! USER MOD Set 1.6: A 159 THR OG1 : rot 136:sc= -1.92! USER MOD Set 2.1: A 149 THR OG1 : rot -31:sc= 1.59 USER MOD Set 2.2: A 151 THR OG1 : rot 84:sc= 1.72 USER MOD Single : A 126 SER OG : rot 9:sc= 0.789 USER MOD Single : A 128 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 133 SER OG : rot 55:sc= -0.382! USER MOD Single : A 135 THR OG1 : rot -34:sc= -0.658! USER MOD Single : A 137 THR OG1 : rot 180:sc= 0 USER MOD Single : A 142 ASN : amide:sc= -2.06! K(o=-2.1!,f=-1.4) USER MOD Single : A 143 GLN : amide:sc= -3.03! K(o=-3!,f=-1.8) USER MOD Single : A 148 MET CE :methyl -143:sc= -0.421 (180deg=-2.23!) USER MOD Single : A 155 THR OG1 : rot 94:sc= -0.441 USER MOD Single : A 158 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 211 N SER A 126 8.865 3.451 0.332 1.00 0.00 N ATOM 212 CA SER A 126 9.400 3.183 1.696 1.00 0.00 C ATOM 213 C SER A 126 10.854 3.651 1.805 1.00 0.00 C ATOM 214 O SER A 126 11.696 3.289 1.008 1.00 0.00 O ATOM 215 CB SER A 126 9.314 1.666 1.871 1.00 0.00 C ATOM 216 OG SER A 126 8.966 1.062 0.632 1.00 0.00 O ATOM 0 HA SER A 126 8.838 3.715 2.464 1.00 0.00 H new ATOM 0 HB2 SER A 126 10.269 1.276 2.222 1.00 0.00 H new ATOM 0 HB3 SER A 126 8.571 1.419 2.629 1.00 0.00 H new ATOM 0 HG SER A 126 9.006 1.733 -0.082 1.00 0.00 H new ATOM 222 N PHE A 127 11.155 4.449 2.793 1.00 0.00 N ATOM 223 CA PHE A 127 12.554 4.934 2.964 1.00 0.00 C ATOM 224 C PHE A 127 13.202 4.233 4.157 1.00 0.00 C ATOM 225 O PHE A 127 12.575 4.008 5.174 1.00 0.00 O ATOM 226 CB PHE A 127 12.429 6.435 3.224 1.00 0.00 C ATOM 227 CG PHE A 127 11.536 7.051 2.177 1.00 0.00 C ATOM 228 CD1 PHE A 127 12.086 7.534 0.984 1.00 0.00 C ATOM 229 CD2 PHE A 127 10.157 7.139 2.399 1.00 0.00 C ATOM 230 CE1 PHE A 127 11.257 8.104 0.011 1.00 0.00 C ATOM 231 CE2 PHE A 127 9.328 7.709 1.427 1.00 0.00 C ATOM 232 CZ PHE A 127 9.877 8.192 0.233 1.00 0.00 C ATOM 0 H PHE A 127 10.491 4.786 3.490 1.00 0.00 H new ATOM 0 HA PHE A 127 13.175 4.728 2.093 1.00 0.00 H new ATOM 0 HB2 PHE A 127 12.017 6.610 4.218 1.00 0.00 H new ATOM 0 HB3 PHE A 127 13.413 6.903 3.200 1.00 0.00 H new ATOM 0 HD1 PHE A 127 13.150 7.467 0.814 1.00 0.00 H new ATOM 0 HD2 PHE A 127 9.733 6.767 3.320 1.00 0.00 H new ATOM 0 HE1 PHE A 127 11.681 8.476 -0.910 1.00 0.00 H new ATOM 0 HE2 PHE A 127 8.264 7.777 1.598 1.00 0.00 H new ATOM 0 HZ PHE A 127 9.236 8.632 -0.517 1.00 0.00 H new ATOM 242 N LYS A 128 14.452 3.879 4.043 1.00 0.00 N ATOM 243 CA LYS A 128 15.131 3.187 5.171 1.00 0.00 C ATOM 244 C LYS A 128 16.321 4.011 5.669 1.00 0.00 C ATOM 245 O LYS A 128 17.039 4.618 4.900 1.00 0.00 O ATOM 246 CB LYS A 128 15.597 1.849 4.592 1.00 0.00 C ATOM 247 CG LYS A 128 16.647 1.225 5.515 1.00 0.00 C ATOM 248 CD LYS A 128 16.189 -0.172 5.941 1.00 0.00 C ATOM 249 CE LYS A 128 16.816 -0.524 7.293 1.00 0.00 C ATOM 250 NZ LYS A 128 18.072 -1.255 6.959 1.00 0.00 N ATOM 0 H LYS A 128 15.031 4.039 3.219 1.00 0.00 H new ATOM 0 HA LYS A 128 14.471 3.050 6.028 1.00 0.00 H new ATOM 0 HB2 LYS A 128 14.748 1.174 4.482 1.00 0.00 H new ATOM 0 HB3 LYS A 128 16.016 1.999 3.597 1.00 0.00 H new ATOM 0 HG2 LYS A 128 17.607 1.164 5.002 1.00 0.00 H new ATOM 0 HG3 LYS A 128 16.794 1.854 6.393 1.00 0.00 H new ATOM 0 HD2 LYS A 128 15.102 -0.204 6.013 1.00 0.00 H new ATOM 0 HD3 LYS A 128 16.481 -0.907 5.190 1.00 0.00 H new ATOM 0 HE2 LYS A 128 17.025 0.373 7.876 1.00 0.00 H new ATOM 0 HE3 LYS A 128 16.146 -1.143 7.889 1.00 0.00 H new ATOM 0 HZ1 LYS A 128 18.558 -1.529 7.837 1.00 0.00 H new ATOM 0 HZ2 LYS A 128 17.842 -2.108 6.410 1.00 0.00 H new ATOM 0 HZ3 LYS A 128 18.693 -0.639 6.397 1.00 0.00 H new ATOM 264 N CYS A 129 16.525 4.034 6.957 1.00 0.00 N ATOM 265 CA CYS A 129 17.658 4.814 7.527 1.00 0.00 C ATOM 266 C CYS A 129 18.929 3.955 7.561 1.00 0.00 C ATOM 267 O CYS A 129 18.900 2.822 7.998 1.00 0.00 O ATOM 268 CB CYS A 129 17.204 5.164 8.941 1.00 0.00 C ATOM 269 SG CYS A 129 18.459 6.171 9.752 1.00 0.00 S ATOM 0 H CYS A 129 15.952 3.543 7.643 1.00 0.00 H new ATOM 0 HA CYS A 129 17.897 5.701 6.940 1.00 0.00 H new ATOM 0 HB2 CYS A 129 16.258 5.704 8.906 1.00 0.00 H new ATOM 0 HB3 CYS A 129 17.030 4.253 9.513 1.00 0.00 H new ATOM 0 HG CYS A 129 17.893 6.946 10.629 1.00 0.00 H new ATOM 274 N PRO A 130 20.003 4.525 7.086 1.00 0.00 N ATOM 275 CA PRO A 130 21.299 3.802 7.048 1.00 0.00 C ATOM 276 C PRO A 130 21.955 3.743 8.434 1.00 0.00 C ATOM 277 O PRO A 130 22.813 2.919 8.683 1.00 0.00 O ATOM 278 CB PRO A 130 22.144 4.639 6.093 1.00 0.00 C ATOM 279 CG PRO A 130 21.562 6.017 6.154 1.00 0.00 C ATOM 280 CD PRO A 130 20.110 5.882 6.541 1.00 0.00 C ATOM 0 HA PRO A 130 21.186 2.765 6.733 1.00 0.00 H new ATOM 0 HB2 PRO A 130 23.192 4.641 6.394 1.00 0.00 H new ATOM 0 HB3 PRO A 130 22.104 4.240 5.080 1.00 0.00 H new ATOM 0 HG2 PRO A 130 22.097 6.627 6.882 1.00 0.00 H new ATOM 0 HG3 PRO A 130 21.656 6.516 5.189 1.00 0.00 H new ATOM 0 HD2 PRO A 130 19.824 6.631 7.280 1.00 0.00 H new ATOM 0 HD3 PRO A 130 19.455 6.017 5.680 1.00 0.00 H new ATOM 288 N VAL A 131 21.581 4.612 9.335 1.00 0.00 N ATOM 289 CA VAL A 131 22.216 4.591 10.686 1.00 0.00 C ATOM 290 C VAL A 131 21.483 3.629 11.625 1.00 0.00 C ATOM 291 O VAL A 131 21.983 2.571 11.952 1.00 0.00 O ATOM 292 CB VAL A 131 22.128 6.030 11.198 1.00 0.00 C ATOM 293 CG1 VAL A 131 22.348 6.055 12.713 1.00 0.00 C ATOM 294 CG2 VAL A 131 23.211 6.869 10.517 1.00 0.00 C ATOM 0 H VAL A 131 20.870 5.330 9.197 1.00 0.00 H new ATOM 0 HA VAL A 131 23.247 4.241 10.640 1.00 0.00 H new ATOM 0 HB VAL A 131 21.143 6.437 10.971 1.00 0.00 H new ATOM 0 HG11 VAL A 131 22.284 7.082 13.073 1.00 0.00 H new ATOM 0 HG12 VAL A 131 21.583 5.451 13.202 1.00 0.00 H new ATOM 0 HG13 VAL A 131 23.333 5.650 12.944 1.00 0.00 H new ATOM 0 HG21 VAL A 131 23.155 7.896 10.877 1.00 0.00 H new ATOM 0 HG22 VAL A 131 24.192 6.456 10.751 1.00 0.00 H new ATOM 0 HG23 VAL A 131 23.058 6.853 9.438 1.00 0.00 H new ATOM 304 N CYS A 132 20.311 3.981 12.071 1.00 0.00 N ATOM 305 CA CYS A 132 19.577 3.068 12.998 1.00 0.00 C ATOM 306 C CYS A 132 18.774 2.028 12.202 1.00 0.00 C ATOM 307 O CYS A 132 17.916 1.349 12.731 1.00 0.00 O ATOM 308 CB CYS A 132 18.674 3.976 13.840 1.00 0.00 C ATOM 309 SG CYS A 132 17.248 4.515 12.871 1.00 0.00 S ATOM 0 H CYS A 132 19.831 4.851 11.839 1.00 0.00 H new ATOM 0 HA CYS A 132 20.250 2.497 13.637 1.00 0.00 H new ATOM 0 HB2 CYS A 132 18.337 3.442 14.729 1.00 0.00 H new ATOM 0 HB3 CYS A 132 19.238 4.843 14.183 1.00 0.00 H new ATOM 0 HG CYS A 132 16.174 3.939 13.322 1.00 0.00 H new ATOM 314 N SER A 133 19.080 1.884 10.938 1.00 0.00 N ATOM 315 CA SER A 133 18.385 0.871 10.078 1.00 0.00 C ATOM 316 C SER A 133 16.862 0.934 10.226 1.00 0.00 C ATOM 317 O SER A 133 16.175 -0.048 10.029 1.00 0.00 O ATOM 318 CB SER A 133 18.910 -0.491 10.543 1.00 0.00 C ATOM 319 OG SER A 133 19.162 -0.460 11.942 1.00 0.00 O ATOM 0 H SER A 133 19.792 2.432 10.456 1.00 0.00 H new ATOM 0 HA SER A 133 18.589 1.058 9.024 1.00 0.00 H new ATOM 0 HB2 SER A 133 18.182 -1.269 10.313 1.00 0.00 H new ATOM 0 HB3 SER A 133 19.825 -0.741 10.005 1.00 0.00 H new ATOM 0 HG SER A 133 18.353 -0.170 12.414 1.00 0.00 H new ATOM 325 N SER A 134 16.321 2.073 10.546 1.00 0.00 N ATOM 326 CA SER A 134 14.839 2.171 10.671 1.00 0.00 C ATOM 327 C SER A 134 14.217 2.266 9.273 1.00 0.00 C ATOM 328 O SER A 134 14.887 2.078 8.277 1.00 0.00 O ATOM 329 CB SER A 134 14.589 3.451 11.460 1.00 0.00 C ATOM 330 OG SER A 134 14.619 3.160 12.854 1.00 0.00 O ATOM 0 H SER A 134 16.834 2.936 10.726 1.00 0.00 H new ATOM 0 HA SER A 134 14.399 1.305 11.166 1.00 0.00 H new ATOM 0 HB2 SER A 134 15.347 4.196 11.216 1.00 0.00 H new ATOM 0 HB3 SER A 134 13.624 3.877 11.187 1.00 0.00 H new ATOM 0 HG SER A 134 14.144 3.862 13.345 1.00 0.00 H new ATOM 336 N THR A 135 12.946 2.558 9.183 1.00 0.00 N ATOM 337 CA THR A 135 12.312 2.659 7.836 1.00 0.00 C ATOM 338 C THR A 135 11.036 3.504 7.890 1.00 0.00 C ATOM 339 O THR A 135 10.492 3.764 8.945 1.00 0.00 O ATOM 340 CB THR A 135 11.980 1.221 7.439 1.00 0.00 C ATOM 341 OG1 THR A 135 13.057 0.369 7.804 1.00 0.00 O ATOM 342 CG2 THR A 135 11.760 1.150 5.928 1.00 0.00 C ATOM 0 H THR A 135 12.326 2.729 9.974 1.00 0.00 H new ATOM 0 HA THR A 135 12.974 3.143 7.118 1.00 0.00 H new ATOM 0 HB THR A 135 11.074 0.900 7.953 1.00 0.00 H new ATOM 0 HG1 THR A 135 13.904 0.852 7.706 1.00 0.00 H new ATOM 0 HG21 THR A 135 11.523 0.125 5.643 1.00 0.00 H new ATOM 0 HG22 THR A 135 10.934 1.804 5.649 1.00 0.00 H new ATOM 0 HG23 THR A 135 12.666 1.470 5.413 1.00 0.00 H new ATOM 350 N PHE A 136 10.561 3.934 6.751 1.00 0.00 N ATOM 351 CA PHE A 136 9.322 4.763 6.714 1.00 0.00 C ATOM 352 C PHE A 136 8.618 4.591 5.364 1.00 0.00 C ATOM 353 O PHE A 136 9.112 3.921 4.481 1.00 0.00 O ATOM 354 CB PHE A 136 9.805 6.205 6.888 1.00 0.00 C ATOM 355 CG PHE A 136 10.753 6.281 8.061 1.00 0.00 C ATOM 356 CD1 PHE A 136 10.251 6.485 9.352 1.00 0.00 C ATOM 357 CD2 PHE A 136 12.132 6.144 7.860 1.00 0.00 C ATOM 358 CE1 PHE A 136 11.127 6.554 10.441 1.00 0.00 C ATOM 359 CE2 PHE A 136 13.008 6.214 8.950 1.00 0.00 C ATOM 360 CZ PHE A 136 12.505 6.418 10.240 1.00 0.00 C ATOM 0 H PHE A 136 10.981 3.745 5.841 1.00 0.00 H new ATOM 0 HA PHE A 136 8.608 4.478 7.486 1.00 0.00 H new ATOM 0 HB2 PHE A 136 10.305 6.544 5.981 1.00 0.00 H new ATOM 0 HB3 PHE A 136 8.955 6.867 7.051 1.00 0.00 H new ATOM 0 HD1 PHE A 136 9.187 6.589 9.507 1.00 0.00 H new ATOM 0 HD2 PHE A 136 12.520 5.984 6.865 1.00 0.00 H new ATOM 0 HE1 PHE A 136 10.739 6.712 11.437 1.00 0.00 H new ATOM 0 HE2 PHE A 136 14.072 6.111 8.795 1.00 0.00 H new ATOM 0 HZ PHE A 136 13.181 6.470 11.081 1.00 0.00 H new ATOM 370 N THR A 137 7.470 5.191 5.199 1.00 0.00 N ATOM 371 CA THR A 137 6.735 5.062 3.904 1.00 0.00 C ATOM 372 C THR A 137 6.225 6.429 3.446 1.00 0.00 C ATOM 373 O THR A 137 6.666 7.459 3.917 1.00 0.00 O ATOM 374 CB THR A 137 5.562 4.130 4.206 1.00 0.00 C ATOM 375 OG1 THR A 137 5.036 4.433 5.491 1.00 0.00 O ATOM 376 CG2 THR A 137 6.040 2.678 4.176 1.00 0.00 C ATOM 0 H THR A 137 7.008 5.765 5.904 1.00 0.00 H new ATOM 0 HA THR A 137 7.370 4.676 3.107 1.00 0.00 H new ATOM 0 HB THR A 137 4.785 4.269 3.454 1.00 0.00 H new ATOM 0 HG1 THR A 137 4.283 3.837 5.685 1.00 0.00 H new ATOM 0 HG21 THR A 137 5.202 2.015 4.392 1.00 0.00 H new ATOM 0 HG22 THR A 137 6.441 2.447 3.189 1.00 0.00 H new ATOM 0 HG23 THR A 137 6.818 2.535 4.926 1.00 0.00 H new ATOM 384 N ASP A 138 5.302 6.447 2.525 1.00 0.00 N ATOM 385 CA ASP A 138 4.766 7.747 2.031 1.00 0.00 C ATOM 386 C ASP A 138 4.184 8.560 3.191 1.00 0.00 C ATOM 387 O ASP A 138 4.511 9.715 3.374 1.00 0.00 O ATOM 388 CB ASP A 138 3.674 7.372 1.031 1.00 0.00 C ATOM 389 CG ASP A 138 2.780 6.285 1.630 1.00 0.00 C ATOM 390 OD1 ASP A 138 3.266 5.182 1.819 1.00 0.00 O ATOM 391 OD2 ASP A 138 1.623 6.573 1.889 1.00 0.00 O ATOM 0 H ASP A 138 4.895 5.618 2.093 1.00 0.00 H new ATOM 0 HA ASP A 138 5.540 8.364 1.574 1.00 0.00 H new ATOM 0 HB2 ASP A 138 3.078 8.250 0.782 1.00 0.00 H new ATOM 0 HB3 ASP A 138 4.123 7.017 0.103 1.00 0.00 H new ATOM 396 N LEU A 139 3.328 7.968 3.980 1.00 0.00 N ATOM 397 CA LEU A 139 2.740 8.721 5.125 1.00 0.00 C ATOM 398 C LEU A 139 3.863 9.323 5.968 1.00 0.00 C ATOM 399 O LEU A 139 3.684 10.312 6.652 1.00 0.00 O ATOM 400 CB LEU A 139 1.956 7.684 5.932 1.00 0.00 C ATOM 401 CG LEU A 139 0.629 7.382 5.235 1.00 0.00 C ATOM 402 CD1 LEU A 139 -0.241 6.519 6.149 1.00 0.00 C ATOM 403 CD2 LEU A 139 -0.101 8.693 4.931 1.00 0.00 C ATOM 0 H LEU A 139 3.012 7.003 3.883 1.00 0.00 H new ATOM 0 HA LEU A 139 2.099 9.541 4.801 1.00 0.00 H new ATOM 0 HB2 LEU A 139 2.541 6.770 6.033 1.00 0.00 H new ATOM 0 HB3 LEU A 139 1.772 8.057 6.939 1.00 0.00 H new ATOM 0 HG LEU A 139 0.823 6.849 4.304 1.00 0.00 H new ATOM 0 HD11 LEU A 139 -1.187 6.303 5.653 1.00 0.00 H new ATOM 0 HD12 LEU A 139 0.276 5.584 6.367 1.00 0.00 H new ATOM 0 HD13 LEU A 139 -0.433 7.053 7.080 1.00 0.00 H new ATOM 0 HD21 LEU A 139 -1.047 8.476 4.434 1.00 0.00 H new ATOM 0 HD22 LEU A 139 -0.294 9.226 5.862 1.00 0.00 H new ATOM 0 HD23 LEU A 139 0.517 9.311 4.280 1.00 0.00 H new ATOM 415 N GLU A 140 5.026 8.735 5.914 1.00 0.00 N ATOM 416 CA GLU A 140 6.174 9.267 6.699 1.00 0.00 C ATOM 417 C GLU A 140 7.056 10.134 5.797 1.00 0.00 C ATOM 418 O GLU A 140 7.833 10.945 6.260 1.00 0.00 O ATOM 419 CB GLU A 140 6.936 8.029 7.167 1.00 0.00 C ATOM 420 CG GLU A 140 5.965 7.056 7.838 1.00 0.00 C ATOM 421 CD GLU A 140 5.232 7.767 8.977 1.00 0.00 C ATOM 422 OE1 GLU A 140 4.379 8.589 8.685 1.00 0.00 O ATOM 423 OE2 GLU A 140 5.535 7.477 10.123 1.00 0.00 O ATOM 0 H GLU A 140 5.231 7.905 5.357 1.00 0.00 H new ATOM 0 HA GLU A 140 5.859 9.889 7.537 1.00 0.00 H new ATOM 0 HB2 GLU A 140 7.423 7.547 6.320 1.00 0.00 H new ATOM 0 HB3 GLU A 140 7.722 8.315 7.866 1.00 0.00 H new ATOM 0 HG2 GLU A 140 5.247 6.681 7.108 1.00 0.00 H new ATOM 0 HG3 GLU A 140 6.508 6.193 8.224 1.00 0.00 H new ATOM 430 N ALA A 141 6.936 9.967 4.507 1.00 0.00 N ATOM 431 CA ALA A 141 7.760 10.780 3.570 1.00 0.00 C ATOM 432 C ALA A 141 7.291 12.236 3.592 1.00 0.00 C ATOM 433 O ALA A 141 8.086 13.154 3.589 1.00 0.00 O ATOM 434 CB ALA A 141 7.522 10.158 2.194 1.00 0.00 C ATOM 0 H ALA A 141 6.303 9.302 4.063 1.00 0.00 H new ATOM 0 HA ALA A 141 8.817 10.781 3.837 1.00 0.00 H new ATOM 0 HB1 ALA A 141 8.096 10.702 1.444 1.00 0.00 H new ATOM 0 HB2 ALA A 141 7.838 9.115 2.207 1.00 0.00 H new ATOM 0 HB3 ALA A 141 6.461 10.213 1.948 1.00 0.00 H new ATOM 440 N ASN A 142 6.005 12.455 3.618 1.00 0.00 N ATOM 441 CA ASN A 142 5.489 13.853 3.644 1.00 0.00 C ATOM 442 C ASN A 142 5.662 14.455 5.043 1.00 0.00 C ATOM 443 O ASN A 142 5.393 15.618 5.266 1.00 0.00 O ATOM 444 CB ASN A 142 4.007 13.739 3.289 1.00 0.00 C ATOM 445 CG ASN A 142 3.265 13.017 4.415 1.00 0.00 C ATOM 446 OD1 ASN A 142 2.877 11.874 4.269 1.00 0.00 O ATOM 447 ND2 ASN A 142 3.049 13.639 5.541 1.00 0.00 N ATOM 0 H ASN A 142 5.290 11.728 3.622 1.00 0.00 H new ATOM 0 HA ASN A 142 6.024 14.502 2.950 1.00 0.00 H new ATOM 0 HB2 ASN A 142 3.582 14.731 3.137 1.00 0.00 H new ATOM 0 HB3 ASN A 142 3.888 13.194 2.353 1.00 0.00 H new ATOM 0 HD21 ASN A 142 2.555 13.166 6.298 1.00 0.00 H new ATOM 0 HD22 ASN A 142 3.374 14.598 5.664 1.00 0.00 H new ATOM 454 N GLN A 143 6.113 13.671 5.986 1.00 0.00 N ATOM 455 CA GLN A 143 6.302 14.203 7.366 1.00 0.00 C ATOM 456 C GLN A 143 7.792 14.192 7.737 1.00 0.00 C ATOM 457 O GLN A 143 8.249 14.985 8.536 1.00 0.00 O ATOM 458 CB GLN A 143 5.485 13.266 8.271 1.00 0.00 C ATOM 459 CG GLN A 143 6.340 12.078 8.727 1.00 0.00 C ATOM 460 CD GLN A 143 5.543 11.226 9.718 1.00 0.00 C ATOM 461 OE1 GLN A 143 6.059 10.819 10.739 1.00 0.00 O ATOM 462 NE2 GLN A 143 4.298 10.937 9.455 1.00 0.00 N ATOM 0 H GLN A 143 6.358 12.689 5.861 1.00 0.00 H new ATOM 0 HA GLN A 143 5.970 15.236 7.467 1.00 0.00 H new ATOM 0 HB2 GLN A 143 5.123 13.815 9.140 1.00 0.00 H new ATOM 0 HB3 GLN A 143 4.608 12.905 7.733 1.00 0.00 H new ATOM 0 HG2 GLN A 143 6.633 11.476 7.867 1.00 0.00 H new ATOM 0 HG3 GLN A 143 7.258 12.435 9.194 1.00 0.00 H new ATOM 0 HE21 GLN A 143 3.865 11.279 8.597 1.00 0.00 H new ATOM 0 HE22 GLN A 143 3.758 10.369 10.107 1.00 0.00 H new ATOM 471 N LEU A 144 8.550 13.299 7.161 1.00 0.00 N ATOM 472 CA LEU A 144 10.006 13.237 7.477 1.00 0.00 C ATOM 473 C LEU A 144 10.811 14.023 6.437 1.00 0.00 C ATOM 474 O LEU A 144 12.024 14.072 6.488 1.00 0.00 O ATOM 475 CB LEU A 144 10.363 11.751 7.407 1.00 0.00 C ATOM 476 CG LEU A 144 9.533 10.976 8.431 1.00 0.00 C ATOM 477 CD1 LEU A 144 9.814 9.479 8.290 1.00 0.00 C ATOM 478 CD2 LEU A 144 9.907 11.434 9.841 1.00 0.00 C ATOM 0 H LEU A 144 8.224 12.609 6.484 1.00 0.00 H new ATOM 0 HA LEU A 144 10.232 13.670 8.451 1.00 0.00 H new ATOM 0 HB2 LEU A 144 10.173 11.368 6.405 1.00 0.00 H new ATOM 0 HB3 LEU A 144 11.426 11.612 7.605 1.00 0.00 H new ATOM 0 HG LEU A 144 8.474 11.164 8.256 1.00 0.00 H new ATOM 0 HD11 LEU A 144 9.222 8.927 9.020 1.00 0.00 H new ATOM 0 HD12 LEU A 144 9.547 9.152 7.285 1.00 0.00 H new ATOM 0 HD13 LEU A 144 10.873 9.290 8.464 1.00 0.00 H new ATOM 0 HD21 LEU A 144 9.316 10.882 10.572 1.00 0.00 H new ATOM 0 HD22 LEU A 144 10.967 11.247 10.015 1.00 0.00 H new ATOM 0 HD23 LEU A 144 9.706 12.500 9.943 1.00 0.00 H new ATOM 490 N PHE A 145 10.149 14.633 5.493 1.00 0.00 N ATOM 491 CA PHE A 145 10.884 15.405 4.450 1.00 0.00 C ATOM 492 C PHE A 145 11.444 16.704 5.036 1.00 0.00 C ATOM 493 O PHE A 145 10.905 17.260 5.971 1.00 0.00 O ATOM 494 CB PHE A 145 9.842 15.711 3.374 1.00 0.00 C ATOM 495 CG PHE A 145 10.540 16.215 2.135 1.00 0.00 C ATOM 496 CD1 PHE A 145 11.531 15.438 1.525 1.00 0.00 C ATOM 497 CD2 PHE A 145 10.198 17.462 1.598 1.00 0.00 C ATOM 498 CE1 PHE A 145 12.180 15.906 0.377 1.00 0.00 C ATOM 499 CE2 PHE A 145 10.846 17.930 0.449 1.00 0.00 C ATOM 500 CZ PHE A 145 11.838 17.152 -0.161 1.00 0.00 C ATOM 0 H PHE A 145 9.133 14.631 5.398 1.00 0.00 H new ATOM 0 HA PHE A 145 11.733 14.848 4.053 1.00 0.00 H new ATOM 0 HB2 PHE A 145 9.267 14.814 3.142 1.00 0.00 H new ATOM 0 HB3 PHE A 145 9.136 16.458 3.737 1.00 0.00 H new ATOM 0 HD1 PHE A 145 11.795 14.477 1.940 1.00 0.00 H new ATOM 0 HD2 PHE A 145 9.435 18.063 2.070 1.00 0.00 H new ATOM 0 HE1 PHE A 145 12.945 15.306 -0.094 1.00 0.00 H new ATOM 0 HE2 PHE A 145 10.581 18.891 0.033 1.00 0.00 H new ATOM 0 HZ PHE A 145 12.339 17.514 -1.047 1.00 0.00 H new ATOM 510 N ASP A 146 12.525 17.189 4.486 1.00 0.00 N ATOM 511 CA ASP A 146 13.127 18.453 5.002 1.00 0.00 C ATOM 512 C ASP A 146 13.702 19.268 3.839 1.00 0.00 C ATOM 513 O ASP A 146 14.302 18.721 2.936 1.00 0.00 O ATOM 514 CB ASP A 146 14.241 18.005 5.947 1.00 0.00 C ATOM 515 CG ASP A 146 13.772 18.160 7.395 1.00 0.00 C ATOM 516 OD1 ASP A 146 13.210 19.196 7.707 1.00 0.00 O ATOM 517 OD2 ASP A 146 13.983 17.239 8.168 1.00 0.00 O ATOM 0 H ASP A 146 13.018 16.764 3.701 1.00 0.00 H new ATOM 0 HA ASP A 146 12.398 19.086 5.508 1.00 0.00 H new ATOM 0 HB2 ASP A 146 14.506 16.967 5.748 1.00 0.00 H new ATOM 0 HB3 ASP A 146 15.138 18.601 5.778 1.00 0.00 H new ATOM 522 N PRO A 147 13.493 20.554 3.903 1.00 0.00 N ATOM 523 CA PRO A 147 13.992 21.461 2.840 1.00 0.00 C ATOM 524 C PRO A 147 15.513 21.627 2.937 1.00 0.00 C ATOM 525 O PRO A 147 16.200 21.714 1.938 1.00 0.00 O ATOM 526 CB PRO A 147 13.284 22.780 3.131 1.00 0.00 C ATOM 527 CG PRO A 147 12.959 22.731 4.591 1.00 0.00 C ATOM 528 CD PRO A 147 12.781 21.281 4.960 1.00 0.00 C ATOM 0 HA PRO A 147 13.794 21.086 1.836 1.00 0.00 H new ATOM 0 HB2 PRO A 147 13.924 23.631 2.897 1.00 0.00 H new ATOM 0 HB3 PRO A 147 12.381 22.885 2.529 1.00 0.00 H new ATOM 0 HG2 PRO A 147 13.759 23.182 5.178 1.00 0.00 H new ATOM 0 HG3 PRO A 147 12.051 23.296 4.802 1.00 0.00 H new ATOM 0 HD2 PRO A 147 13.199 21.065 5.943 1.00 0.00 H new ATOM 0 HD3 PRO A 147 11.727 21.005 4.994 1.00 0.00 H new ATOM 536 N MET A 148 16.044 21.675 4.127 1.00 0.00 N ATOM 537 CA MET A 148 17.519 21.839 4.277 1.00 0.00 C ATOM 538 C MET A 148 18.257 20.710 3.551 1.00 0.00 C ATOM 539 O MET A 148 19.273 20.925 2.921 1.00 0.00 O ATOM 540 CB MET A 148 17.777 21.771 5.783 1.00 0.00 C ATOM 541 CG MET A 148 17.638 20.325 6.263 1.00 0.00 C ATOM 542 SD MET A 148 17.956 20.248 8.044 1.00 0.00 S ATOM 543 CE MET A 148 16.246 19.975 8.566 1.00 0.00 C ATOM 0 H MET A 148 15.523 21.608 5.001 1.00 0.00 H new ATOM 0 HA MET A 148 17.874 22.775 3.846 1.00 0.00 H new ATOM 0 HB2 MET A 148 18.776 22.145 6.008 1.00 0.00 H new ATOM 0 HB3 MET A 148 17.070 22.410 6.312 1.00 0.00 H new ATOM 0 HG2 MET A 148 16.637 19.953 6.045 1.00 0.00 H new ATOM 0 HG3 MET A 148 18.340 19.684 5.729 1.00 0.00 H new ATOM 0 HE1 MET A 148 16.059 20.512 9.496 1.00 0.00 H new ATOM 0 HE2 MET A 148 15.568 20.339 7.795 1.00 0.00 H new ATOM 0 HE3 MET A 148 16.079 18.909 8.722 1.00 0.00 H new ATOM 553 N THR A 149 17.753 19.508 3.636 1.00 0.00 N ATOM 554 CA THR A 149 18.426 18.366 2.952 1.00 0.00 C ATOM 555 C THR A 149 17.666 17.993 1.676 1.00 0.00 C ATOM 556 O THR A 149 18.153 17.252 0.845 1.00 0.00 O ATOM 557 CB THR A 149 18.378 17.218 3.963 1.00 0.00 C ATOM 558 OG1 THR A 149 18.837 16.024 3.345 1.00 0.00 O ATOM 559 CG2 THR A 149 16.942 17.023 4.450 1.00 0.00 C ATOM 0 H THR A 149 16.905 19.268 4.149 1.00 0.00 H new ATOM 0 HA THR A 149 19.447 18.604 2.654 1.00 0.00 H new ATOM 0 HB THR A 149 19.018 17.456 4.813 1.00 0.00 H new ATOM 0 HG1 THR A 149 18.608 16.040 2.392 1.00 0.00 H new ATOM 0 HG21 THR A 149 16.910 16.205 5.170 1.00 0.00 H new ATOM 0 HG22 THR A 149 16.592 17.939 4.926 1.00 0.00 H new ATOM 0 HG23 THR A 149 16.299 16.786 3.602 1.00 0.00 H new ATOM 567 N GLY A 150 16.475 18.502 1.516 1.00 0.00 N ATOM 568 CA GLY A 150 15.682 18.181 0.295 1.00 0.00 C ATOM 569 C GLY A 150 15.317 16.695 0.298 1.00 0.00 C ATOM 570 O GLY A 150 14.894 16.148 -0.703 1.00 0.00 O ATOM 0 H GLY A 150 16.016 19.127 2.179 1.00 0.00 H new ATOM 0 HA2 GLY A 150 14.777 18.788 0.266 1.00 0.00 H new ATOM 0 HA3 GLY A 150 16.257 18.423 -0.599 1.00 0.00 H new ATOM 574 N THR A 151 15.476 16.037 1.413 1.00 0.00 N ATOM 575 CA THR A 151 15.136 14.586 1.478 1.00 0.00 C ATOM 576 C THR A 151 14.424 14.268 2.795 1.00 0.00 C ATOM 577 O THR A 151 14.141 15.147 3.586 1.00 0.00 O ATOM 578 CB THR A 151 16.481 13.858 1.406 1.00 0.00 C ATOM 579 OG1 THR A 151 17.531 14.772 1.694 1.00 0.00 O ATOM 580 CG2 THR A 151 16.674 13.280 0.003 1.00 0.00 C ATOM 0 H THR A 151 15.826 16.440 2.282 1.00 0.00 H new ATOM 0 HA THR A 151 14.466 14.283 0.673 1.00 0.00 H new ATOM 0 HB THR A 151 16.496 13.048 2.136 1.00 0.00 H new ATOM 0 HG1 THR A 151 17.642 14.848 2.665 1.00 0.00 H new ATOM 0 HG21 THR A 151 17.632 12.762 -0.048 1.00 0.00 H new ATOM 0 HG22 THR A 151 15.869 12.578 -0.215 1.00 0.00 H new ATOM 0 HG23 THR A 151 16.659 14.088 -0.729 1.00 0.00 H new ATOM 588 N PHE A 152 14.130 13.019 3.037 1.00 0.00 N ATOM 589 CA PHE A 152 13.436 12.650 4.303 1.00 0.00 C ATOM 590 C PHE A 152 14.461 12.334 5.392 1.00 0.00 C ATOM 591 O PHE A 152 15.398 11.590 5.180 1.00 0.00 O ATOM 592 CB PHE A 152 12.618 11.405 3.958 1.00 0.00 C ATOM 593 CG PHE A 152 11.795 11.671 2.720 1.00 0.00 C ATOM 594 CD1 PHE A 152 10.658 12.484 2.796 1.00 0.00 C ATOM 595 CD2 PHE A 152 12.170 11.104 1.496 1.00 0.00 C ATOM 596 CE1 PHE A 152 9.896 12.730 1.646 1.00 0.00 C ATOM 597 CE2 PHE A 152 11.408 11.350 0.348 1.00 0.00 C ATOM 598 CZ PHE A 152 10.271 12.162 0.423 1.00 0.00 C ATOM 0 H PHE A 152 14.340 12.240 2.413 1.00 0.00 H new ATOM 0 HA PHE A 152 12.809 13.457 4.682 1.00 0.00 H new ATOM 0 HB2 PHE A 152 13.281 10.556 3.792 1.00 0.00 H new ATOM 0 HB3 PHE A 152 11.966 11.142 4.791 1.00 0.00 H new ATOM 0 HD1 PHE A 152 10.368 12.921 3.740 1.00 0.00 H new ATOM 0 HD2 PHE A 152 13.047 10.477 1.438 1.00 0.00 H new ATOM 0 HE1 PHE A 152 9.019 13.358 1.703 1.00 0.00 H new ATOM 0 HE2 PHE A 152 11.698 10.913 -0.596 1.00 0.00 H new ATOM 0 HZ PHE A 152 9.683 12.350 -0.463 1.00 0.00 H new ATOM 608 N ARG A 153 14.293 12.895 6.558 1.00 0.00 N ATOM 609 CA ARG A 153 15.263 12.623 7.655 1.00 0.00 C ATOM 610 C ARG A 153 14.652 11.678 8.689 1.00 0.00 C ATOM 611 O ARG A 153 13.468 11.709 8.960 1.00 0.00 O ATOM 612 CB ARG A 153 15.555 13.984 8.285 1.00 0.00 C ATOM 613 CG ARG A 153 16.746 14.626 7.573 1.00 0.00 C ATOM 614 CD ARG A 153 17.979 14.559 8.476 1.00 0.00 C ATOM 615 NE ARG A 153 18.274 15.976 8.825 1.00 0.00 N ATOM 616 CZ ARG A 153 19.476 16.321 9.199 1.00 0.00 C ATOM 617 NH1 ARG A 153 20.113 15.606 10.085 1.00 0.00 N ATOM 618 NH2 ARG A 153 20.039 17.380 8.686 1.00 0.00 N ATOM 0 H ARG A 153 13.529 13.527 6.798 1.00 0.00 H new ATOM 0 HA ARG A 153 16.169 12.144 7.284 1.00 0.00 H new ATOM 0 HB2 ARG A 153 14.680 14.629 8.207 1.00 0.00 H new ATOM 0 HB3 ARG A 153 15.771 13.867 9.347 1.00 0.00 H new ATOM 0 HG2 ARG A 153 16.942 14.110 6.633 1.00 0.00 H new ATOM 0 HG3 ARG A 153 16.519 15.663 7.326 1.00 0.00 H new ATOM 0 HD2 ARG A 153 17.784 13.965 9.368 1.00 0.00 H new ATOM 0 HD3 ARG A 153 18.821 14.095 7.962 1.00 0.00 H new ATOM 0 HE ARG A 153 17.536 16.678 8.772 1.00 0.00 H new ATOM 0 HH11 ARG A 153 19.672 14.778 10.485 1.00 0.00 H new ATOM 0 HH12 ARG A 153 21.052 15.875 10.378 1.00 0.00 H new ATOM 0 HH21 ARG A 153 19.540 17.938 7.993 1.00 0.00 H new ATOM 0 HH22 ARG A 153 20.978 17.650 8.978 1.00 0.00 H new ATOM 632 N CYS A 154 15.463 10.842 9.270 1.00 0.00 N ATOM 633 CA CYS A 154 14.960 9.888 10.298 1.00 0.00 C ATOM 634 C CYS A 154 14.104 10.628 11.332 1.00 0.00 C ATOM 635 O CYS A 154 13.960 11.833 11.280 1.00 0.00 O ATOM 636 CB CYS A 154 16.232 9.343 10.939 1.00 0.00 C ATOM 637 SG CYS A 154 15.860 7.860 11.898 1.00 0.00 S ATOM 0 H CYS A 154 16.462 10.777 9.076 1.00 0.00 H new ATOM 0 HA CYS A 154 14.330 9.102 9.882 1.00 0.00 H new ATOM 0 HB2 CYS A 154 16.966 9.111 10.168 1.00 0.00 H new ATOM 0 HB3 CYS A 154 16.676 10.101 11.585 1.00 0.00 H new ATOM 0 HG CYS A 154 14.622 7.515 11.702 1.00 0.00 H new ATOM 642 N THR A 155 13.534 9.920 12.270 1.00 0.00 N ATOM 643 CA THR A 155 12.691 10.594 13.300 1.00 0.00 C ATOM 644 C THR A 155 13.268 10.363 14.699 1.00 0.00 C ATOM 645 O THR A 155 12.977 11.094 15.624 1.00 0.00 O ATOM 646 CB THR A 155 11.306 9.951 13.176 1.00 0.00 C ATOM 647 OG1 THR A 155 11.358 8.879 12.244 1.00 0.00 O ATOM 648 CG2 THR A 155 10.300 10.999 12.698 1.00 0.00 C ATOM 0 H THR A 155 13.615 8.908 12.368 1.00 0.00 H new ATOM 0 HA THR A 155 12.651 11.673 13.150 1.00 0.00 H new ATOM 0 HB THR A 155 10.996 9.567 14.148 1.00 0.00 H new ATOM 0 HG1 THR A 155 11.522 8.039 12.721 1.00 0.00 H new ATOM 0 HG21 THR A 155 9.314 10.543 12.609 1.00 0.00 H new ATOM 0 HG22 THR A 155 10.258 11.817 13.417 1.00 0.00 H new ATOM 0 HG23 THR A 155 10.610 11.385 11.727 1.00 0.00 H new ATOM 656 N PHE A 156 14.087 9.359 14.865 1.00 0.00 N ATOM 657 CA PHE A 156 14.674 9.106 16.213 1.00 0.00 C ATOM 658 C PHE A 156 16.179 9.364 16.184 1.00 0.00 C ATOM 659 O PHE A 156 16.741 9.923 17.105 1.00 0.00 O ATOM 660 CB PHE A 156 14.385 7.637 16.571 1.00 0.00 C ATOM 661 CG PHE A 156 13.869 6.866 15.375 1.00 0.00 C ATOM 662 CD1 PHE A 156 14.745 6.494 14.352 1.00 0.00 C ATOM 663 CD2 PHE A 156 12.513 6.525 15.298 1.00 0.00 C ATOM 664 CE1 PHE A 156 14.265 5.780 13.249 1.00 0.00 C ATOM 665 CE2 PHE A 156 12.034 5.810 14.193 1.00 0.00 C ATOM 666 CZ PHE A 156 12.911 5.438 13.168 1.00 0.00 C ATOM 0 H PHE A 156 14.373 8.709 14.133 1.00 0.00 H new ATOM 0 HA PHE A 156 14.237 9.771 16.958 1.00 0.00 H new ATOM 0 HB2 PHE A 156 15.295 7.166 16.944 1.00 0.00 H new ATOM 0 HB3 PHE A 156 13.652 7.595 17.376 1.00 0.00 H new ATOM 0 HD1 PHE A 156 15.791 6.757 14.413 1.00 0.00 H new ATOM 0 HD2 PHE A 156 11.837 6.813 16.090 1.00 0.00 H new ATOM 0 HE1 PHE A 156 14.942 5.492 12.458 1.00 0.00 H new ATOM 0 HE2 PHE A 156 10.989 5.546 14.132 1.00 0.00 H new ATOM 0 HZ PHE A 156 12.543 4.887 12.315 1.00 0.00 H new ATOM 676 N CYS A 157 16.833 8.979 15.128 1.00 0.00 N ATOM 677 CA CYS A 157 18.299 9.221 15.036 1.00 0.00 C ATOM 678 C CYS A 157 18.571 10.250 13.925 1.00 0.00 C ATOM 679 O CYS A 157 19.672 10.390 13.431 1.00 0.00 O ATOM 680 CB CYS A 157 18.910 7.828 14.776 1.00 0.00 C ATOM 681 SG CYS A 157 19.425 7.619 13.054 1.00 0.00 S ATOM 0 H CYS A 157 16.418 8.508 14.324 1.00 0.00 H new ATOM 0 HA CYS A 157 18.745 9.650 15.933 1.00 0.00 H new ATOM 0 HB2 CYS A 157 19.769 7.682 15.431 1.00 0.00 H new ATOM 0 HB3 CYS A 157 18.180 7.060 15.031 1.00 0.00 H new ATOM 0 HG CYS A 157 19.873 8.750 12.595 1.00 0.00 H new ATOM 686 N HIS A 158 17.550 10.988 13.570 1.00 0.00 N ATOM 687 CA HIS A 158 17.660 12.057 12.527 1.00 0.00 C ATOM 688 C HIS A 158 18.718 11.755 11.457 1.00 0.00 C ATOM 689 O HIS A 158 19.320 12.658 10.909 1.00 0.00 O ATOM 690 CB HIS A 158 18.030 13.317 13.308 1.00 0.00 C ATOM 691 CG HIS A 158 16.785 13.909 13.909 1.00 0.00 C ATOM 692 ND1 HIS A 158 16.104 14.960 13.315 1.00 0.00 N ATOM 693 CD2 HIS A 158 16.076 13.599 15.045 1.00 0.00 C ATOM 694 CE1 HIS A 158 15.037 15.241 14.087 1.00 0.00 C ATOM 695 NE2 HIS A 158 14.975 14.440 15.155 1.00 0.00 N ATOM 0 H HIS A 158 16.617 10.892 13.971 1.00 0.00 H new ATOM 0 HA HIS A 158 16.727 12.150 11.972 1.00 0.00 H new ATOM 0 HB2 HIS A 158 18.748 13.076 14.092 1.00 0.00 H new ATOM 0 HB3 HIS A 158 18.510 14.040 12.649 1.00 0.00 H new ATOM 0 HD2 HIS A 158 16.335 12.820 15.746 1.00 0.00 H new ATOM 0 HE1 HIS A 158 14.319 16.018 13.870 1.00 0.00 H new ATOM 0 HE2 HIS A 158 14.271 14.445 15.893 1.00 0.00 H new ATOM 703 N THR A 159 18.937 10.516 11.125 1.00 0.00 N ATOM 704 CA THR A 159 19.935 10.210 10.061 1.00 0.00 C ATOM 705 C THR A 159 19.242 10.245 8.695 1.00 0.00 C ATOM 706 O THR A 159 18.072 9.938 8.578 1.00 0.00 O ATOM 707 CB THR A 159 20.438 8.803 10.375 1.00 0.00 C ATOM 708 OG1 THR A 159 21.341 8.863 11.470 1.00 0.00 O ATOM 709 CG2 THR A 159 21.149 8.220 9.149 1.00 0.00 C ATOM 0 H THR A 159 18.474 9.707 11.539 1.00 0.00 H new ATOM 0 HA THR A 159 20.755 10.928 10.032 1.00 0.00 H new ATOM 0 HB THR A 159 19.594 8.164 10.632 1.00 0.00 H new ATOM 0 HG1 THR A 159 21.144 8.135 12.096 1.00 0.00 H new ATOM 0 HG21 THR A 159 21.506 7.216 9.379 1.00 0.00 H new ATOM 0 HG22 THR A 159 20.453 8.175 8.312 1.00 0.00 H new ATOM 0 HG23 THR A 159 21.995 8.854 8.883 1.00 0.00 H new ATOM 717 N GLU A 160 19.947 10.618 7.662 1.00 0.00 N ATOM 718 CA GLU A 160 19.315 10.670 6.311 1.00 0.00 C ATOM 719 C GLU A 160 18.815 9.280 5.903 1.00 0.00 C ATOM 720 O GLU A 160 19.553 8.314 5.918 1.00 0.00 O ATOM 721 CB GLU A 160 20.425 11.139 5.370 1.00 0.00 C ATOM 722 CG GLU A 160 19.821 11.988 4.251 1.00 0.00 C ATOM 723 CD GLU A 160 20.907 12.337 3.231 1.00 0.00 C ATOM 724 OE1 GLU A 160 21.855 13.004 3.611 1.00 0.00 O ATOM 725 OE2 GLU A 160 20.771 11.932 2.089 1.00 0.00 O ATOM 0 H GLU A 160 20.930 10.888 7.694 1.00 0.00 H new ATOM 0 HA GLU A 160 18.452 11.336 6.286 1.00 0.00 H new ATOM 0 HB2 GLU A 160 21.164 11.719 5.923 1.00 0.00 H new ATOM 0 HB3 GLU A 160 20.946 10.279 4.948 1.00 0.00 H new ATOM 0 HG2 GLU A 160 19.011 11.444 3.764 1.00 0.00 H new ATOM 0 HG3 GLU A 160 19.389 12.899 4.664 1.00 0.00 H new ATOM 732 N VAL A 161 17.567 9.174 5.535 1.00 0.00 N ATOM 733 CA VAL A 161 17.016 7.849 5.125 1.00 0.00 C ATOM 734 C VAL A 161 17.228 7.632 3.623 1.00 0.00 C ATOM 735 O VAL A 161 17.832 8.441 2.949 1.00 0.00 O ATOM 736 CB VAL A 161 15.524 7.923 5.448 1.00 0.00 C ATOM 737 CG1 VAL A 161 15.336 8.109 6.954 1.00 0.00 C ATOM 738 CG2 VAL A 161 14.903 9.110 4.709 1.00 0.00 C ATOM 0 H VAL A 161 16.904 9.948 5.500 1.00 0.00 H new ATOM 0 HA VAL A 161 17.504 7.021 5.640 1.00 0.00 H new ATOM 0 HB VAL A 161 15.038 7.000 5.132 1.00 0.00 H new ATOM 0 HG11 VAL A 161 14.272 8.162 7.184 1.00 0.00 H new ATOM 0 HG12 VAL A 161 15.780 7.266 7.483 1.00 0.00 H new ATOM 0 HG13 VAL A 161 15.822 9.032 7.270 1.00 0.00 H new ATOM 0 HG21 VAL A 161 13.839 9.165 4.938 1.00 0.00 H new ATOM 0 HG22 VAL A 161 15.390 10.032 5.027 1.00 0.00 H new ATOM 0 HG23 VAL A 161 15.037 8.980 3.635 1.00 0.00 H new ATOM 748 N GLU A 162 16.736 6.544 3.094 1.00 0.00 N ATOM 749 CA GLU A 162 16.911 6.280 1.635 1.00 0.00 C ATOM 750 C GLU A 162 15.820 5.333 1.131 1.00 0.00 C ATOM 751 O GLU A 162 15.477 4.364 1.779 1.00 0.00 O ATOM 752 CB GLU A 162 18.287 5.622 1.515 1.00 0.00 C ATOM 753 CG GLU A 162 19.365 6.701 1.397 1.00 0.00 C ATOM 754 CD GLU A 162 20.710 6.046 1.077 1.00 0.00 C ATOM 755 OE1 GLU A 162 20.769 4.828 1.084 1.00 0.00 O ATOM 756 OE2 GLU A 162 21.657 6.774 0.829 1.00 0.00 O ATOM 0 H GLU A 162 16.222 5.828 3.607 1.00 0.00 H new ATOM 0 HA GLU A 162 16.839 7.191 1.040 1.00 0.00 H new ATOM 0 HB2 GLU A 162 18.479 4.996 2.387 1.00 0.00 H new ATOM 0 HB3 GLU A 162 18.314 4.970 0.642 1.00 0.00 H new ATOM 0 HG2 GLU A 162 19.099 7.412 0.614 1.00 0.00 H new ATOM 0 HG3 GLU A 162 19.435 7.264 2.328 1.00 0.00 H new ATOM 763 N GLU A 163 15.270 5.604 -0.022 1.00 0.00 N ATOM 764 CA GLU A 163 14.203 4.714 -0.565 1.00 0.00 C ATOM 765 C GLU A 163 14.637 3.250 -0.457 1.00 0.00 C ATOM 766 O GLU A 163 15.724 2.883 -0.856 1.00 0.00 O ATOM 767 CB GLU A 163 14.047 5.126 -2.029 1.00 0.00 C ATOM 768 CG GLU A 163 12.827 6.039 -2.175 1.00 0.00 C ATOM 769 CD GLU A 163 12.702 6.497 -3.629 1.00 0.00 C ATOM 770 OE1 GLU A 163 13.699 6.933 -4.180 1.00 0.00 O ATOM 771 OE2 GLU A 163 11.610 6.406 -4.167 1.00 0.00 O ATOM 0 H GLU A 163 15.512 6.401 -0.610 1.00 0.00 H new ATOM 0 HA GLU A 163 13.265 4.808 -0.018 1.00 0.00 H new ATOM 0 HB2 GLU A 163 14.944 5.643 -2.370 1.00 0.00 H new ATOM 0 HB3 GLU A 163 13.930 4.242 -2.656 1.00 0.00 H new ATOM 0 HG2 GLU A 163 11.925 5.509 -1.871 1.00 0.00 H new ATOM 0 HG3 GLU A 163 12.926 6.903 -1.518 1.00 0.00 H new ATOM 778 N ASP A 164 13.796 2.411 0.082 1.00 0.00 N ATOM 779 CA ASP A 164 14.162 0.972 0.220 1.00 0.00 C ATOM 780 C ASP A 164 13.721 0.185 -1.016 1.00 0.00 C ATOM 781 O ASP A 164 12.548 -0.060 -1.222 1.00 0.00 O ATOM 782 CB ASP A 164 13.406 0.491 1.458 1.00 0.00 C ATOM 783 CG ASP A 164 13.563 -1.025 1.597 1.00 0.00 C ATOM 784 OD1 ASP A 164 14.287 -1.600 0.801 1.00 0.00 O ATOM 785 OD2 ASP A 164 12.957 -1.584 2.495 1.00 0.00 O ATOM 0 H ASP A 164 12.871 2.659 0.433 1.00 0.00 H new ATOM 0 HA ASP A 164 15.239 0.830 0.314 1.00 0.00 H new ATOM 0 HB2 ASP A 164 13.790 0.990 2.348 1.00 0.00 H new ATOM 0 HB3 ASP A 164 12.351 0.752 1.377 1.00 0.00 H new