USER MOD reduce.3.24.130724 H: found=0, std=0, add=276, rem=0, adj=13 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 -153:sc= -2.1! USER MOD Set 1.2: A 132 CYS SG : rot 110:sc= -1.32! USER MOD Set 1.3: A 134 SER OG : rot -166:sc= 2.39 USER MOD Set 1.4: A 154 CYS SG : rot 124:sc= -6.31! USER MOD Set 1.5: A 157 CYS SG : rot -65:sc= -4.08! USER MOD Set 1.6: A 159 THR OG1 : rot 99:sc= -1.91! USER MOD Set 2.1: A 149 THR OG1 : rot -82:sc= 0.342 USER MOD Set 2.2: A 151 THR OG1 : rot 180:sc= 0.126 USER MOD Single : A 126 SER OG : rot 180:sc= 0 USER MOD Single : A 128 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 133 SER OG : rot 60:sc= -0.143! USER MOD Single : A 135 THR OG1 : rot 180:sc= -1.37! USER MOD Single : A 137 THR OG1 : rot -130:sc= -2.04 USER MOD Single : A 142 ASN : amide:sc= -2.72! C(o=-2.7!,f=-13!) USER MOD Single : A 143 GLN : amide:sc= -0.254 X(o=-0.25,f=-0.26) USER MOD Single : A 148 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 155 THR OG1 : rot 79:sc= -0.199 USER MOD Single : A 158 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 211 N SER A 126 8.479 4.231 0.386 1.00 0.00 N ATOM 212 CA SER A 126 9.127 3.438 1.469 1.00 0.00 C ATOM 213 C SER A 126 10.596 3.843 1.615 1.00 0.00 C ATOM 214 O SER A 126 11.411 3.576 0.756 1.00 0.00 O ATOM 215 CB SER A 126 9.015 1.983 1.014 1.00 0.00 C ATOM 216 OG SER A 126 9.243 1.126 2.125 1.00 0.00 O ATOM 0 HA SER A 126 8.656 3.600 2.438 1.00 0.00 H new ATOM 0 HB2 SER A 126 8.027 1.796 0.593 1.00 0.00 H new ATOM 0 HB3 SER A 126 9.741 1.779 0.227 1.00 0.00 H new ATOM 0 HG SER A 126 9.170 0.192 1.838 1.00 0.00 H new ATOM 222 N PHE A 127 10.940 4.490 2.697 1.00 0.00 N ATOM 223 CA PHE A 127 12.357 4.912 2.893 1.00 0.00 C ATOM 224 C PHE A 127 12.979 4.156 4.069 1.00 0.00 C ATOM 225 O PHE A 127 12.304 3.787 5.011 1.00 0.00 O ATOM 226 CB PHE A 127 12.286 6.409 3.199 1.00 0.00 C ATOM 227 CG PHE A 127 11.493 7.110 2.123 1.00 0.00 C ATOM 228 CD1 PHE A 127 12.117 7.488 0.929 1.00 0.00 C ATOM 229 CD2 PHE A 127 10.135 7.384 2.322 1.00 0.00 C ATOM 230 CE1 PHE A 127 11.382 8.141 -0.067 1.00 0.00 C ATOM 231 CE2 PHE A 127 9.400 8.037 1.325 1.00 0.00 C ATOM 232 CZ PHE A 127 10.023 8.415 0.131 1.00 0.00 C ATOM 0 H PHE A 127 10.302 4.744 3.452 1.00 0.00 H new ATOM 0 HA PHE A 127 12.973 4.701 2.019 1.00 0.00 H new ATOM 0 HB2 PHE A 127 11.820 6.570 4.171 1.00 0.00 H new ATOM 0 HB3 PHE A 127 13.291 6.827 3.254 1.00 0.00 H new ATOM 0 HD1 PHE A 127 13.165 7.276 0.776 1.00 0.00 H new ATOM 0 HD2 PHE A 127 9.654 7.092 3.244 1.00 0.00 H new ATOM 0 HE1 PHE A 127 11.863 8.434 -0.989 1.00 0.00 H new ATOM 0 HE2 PHE A 127 8.352 8.249 1.478 1.00 0.00 H new ATOM 0 HZ PHE A 127 9.456 8.918 -0.638 1.00 0.00 H new ATOM 242 N LYS A 128 14.264 3.927 4.025 1.00 0.00 N ATOM 243 CA LYS A 128 14.930 3.203 5.140 1.00 0.00 C ATOM 244 C LYS A 128 16.117 4.019 5.662 1.00 0.00 C ATOM 245 O LYS A 128 16.788 4.706 4.917 1.00 0.00 O ATOM 246 CB LYS A 128 15.399 1.876 4.534 1.00 0.00 C ATOM 247 CG LYS A 128 16.503 1.272 5.407 1.00 0.00 C ATOM 248 CD LYS A 128 16.403 -0.254 5.379 1.00 0.00 C ATOM 249 CE LYS A 128 16.231 -0.783 6.806 1.00 0.00 C ATOM 250 NZ LYS A 128 16.755 -2.176 6.764 1.00 0.00 N ATOM 0 H LYS A 128 14.880 4.211 3.263 1.00 0.00 H new ATOM 0 HA LYS A 128 14.264 3.041 5.987 1.00 0.00 H new ATOM 0 HB2 LYS A 128 14.561 1.183 4.459 1.00 0.00 H new ATOM 0 HB3 LYS A 128 15.770 2.038 3.522 1.00 0.00 H new ATOM 0 HG2 LYS A 128 17.481 1.589 5.045 1.00 0.00 H new ATOM 0 HG3 LYS A 128 16.410 1.634 6.431 1.00 0.00 H new ATOM 0 HD2 LYS A 128 15.559 -0.562 4.762 1.00 0.00 H new ATOM 0 HD3 LYS A 128 17.300 -0.679 4.928 1.00 0.00 H new ATOM 0 HE2 LYS A 128 16.783 -0.175 7.522 1.00 0.00 H new ATOM 0 HE3 LYS A 128 15.185 -0.763 7.111 1.00 0.00 H new ATOM 0 HZ1 LYS A 128 16.671 -2.607 7.707 1.00 0.00 H new ATOM 0 HZ2 LYS A 128 16.206 -2.733 6.079 1.00 0.00 H new ATOM 0 HZ3 LYS A 128 17.755 -2.162 6.477 1.00 0.00 H new ATOM 264 N CYS A 129 16.373 3.952 6.939 1.00 0.00 N ATOM 265 CA CYS A 129 17.508 4.722 7.521 1.00 0.00 C ATOM 266 C CYS A 129 18.767 3.849 7.582 1.00 0.00 C ATOM 267 O CYS A 129 18.711 2.710 7.998 1.00 0.00 O ATOM 268 CB CYS A 129 17.036 5.088 8.926 1.00 0.00 C ATOM 269 SG CYS A 129 18.300 6.067 9.755 1.00 0.00 S ATOM 0 H CYS A 129 15.842 3.394 7.608 1.00 0.00 H new ATOM 0 HA CYS A 129 17.767 5.600 6.930 1.00 0.00 H new ATOM 0 HB2 CYS A 129 16.104 5.651 8.872 1.00 0.00 H new ATOM 0 HB3 CYS A 129 16.830 4.183 9.498 1.00 0.00 H new ATOM 0 HG CYS A 129 18.200 5.905 11.041 1.00 0.00 H new ATOM 274 N PRO A 130 19.862 4.414 7.153 1.00 0.00 N ATOM 275 CA PRO A 130 21.147 3.676 7.147 1.00 0.00 C ATOM 276 C PRO A 130 21.772 3.620 8.547 1.00 0.00 C ATOM 277 O PRO A 130 22.599 2.774 8.828 1.00 0.00 O ATOM 278 CB PRO A 130 22.021 4.494 6.203 1.00 0.00 C ATOM 279 CG PRO A 130 21.457 5.882 6.240 1.00 0.00 C ATOM 280 CD PRO A 130 20.003 5.778 6.632 1.00 0.00 C ATOM 0 HA PRO A 130 21.029 2.638 6.838 1.00 0.00 H new ATOM 0 HB2 PRO A 130 23.062 4.485 6.525 1.00 0.00 H new ATOM 0 HB3 PRO A 130 21.996 4.087 5.192 1.00 0.00 H new ATOM 0 HG2 PRO A 130 22.003 6.497 6.955 1.00 0.00 H new ATOM 0 HG3 PRO A 130 21.557 6.361 5.266 1.00 0.00 H new ATOM 0 HD2 PRO A 130 19.741 6.520 7.386 1.00 0.00 H new ATOM 0 HD3 PRO A 130 19.348 5.947 5.777 1.00 0.00 H new ATOM 288 N VAL A 131 21.404 4.513 9.425 1.00 0.00 N ATOM 289 CA VAL A 131 22.005 4.495 10.792 1.00 0.00 C ATOM 290 C VAL A 131 21.246 3.537 11.713 1.00 0.00 C ATOM 291 O VAL A 131 21.727 2.470 12.042 1.00 0.00 O ATOM 292 CB VAL A 131 21.910 5.939 11.298 1.00 0.00 C ATOM 293 CG1 VAL A 131 21.961 5.964 12.828 1.00 0.00 C ATOM 294 CG2 VAL A 131 23.090 6.739 10.741 1.00 0.00 C ATOM 0 H VAL A 131 20.718 5.250 9.258 1.00 0.00 H new ATOM 0 HA VAL A 131 23.036 4.143 10.774 1.00 0.00 H new ATOM 0 HB VAL A 131 20.969 6.377 10.966 1.00 0.00 H new ATOM 0 HG11 VAL A 131 21.893 6.994 13.178 1.00 0.00 H new ATOM 0 HG12 VAL A 131 21.127 5.389 13.229 1.00 0.00 H new ATOM 0 HG13 VAL A 131 22.900 5.527 13.168 1.00 0.00 H new ATOM 0 HG21 VAL A 131 23.031 7.768 11.095 1.00 0.00 H new ATOM 0 HG22 VAL A 131 24.025 6.292 11.079 1.00 0.00 H new ATOM 0 HG23 VAL A 131 23.055 6.728 9.652 1.00 0.00 H new ATOM 304 N CYS A 132 20.073 3.905 12.144 1.00 0.00 N ATOM 305 CA CYS A 132 19.312 3.003 13.056 1.00 0.00 C ATOM 306 C CYS A 132 18.524 1.960 12.247 1.00 0.00 C ATOM 307 O CYS A 132 17.654 1.284 12.760 1.00 0.00 O ATOM 308 CB CYS A 132 18.394 3.922 13.870 1.00 0.00 C ATOM 309 SG CYS A 132 16.998 4.468 12.865 1.00 0.00 S ATOM 0 H CYS A 132 19.610 4.783 11.908 1.00 0.00 H new ATOM 0 HA CYS A 132 19.965 2.432 13.715 1.00 0.00 H new ATOM 0 HB2 CYS A 132 18.031 3.395 14.752 1.00 0.00 H new ATOM 0 HB3 CYS A 132 18.956 4.787 14.224 1.00 0.00 H new ATOM 0 HG CYS A 132 15.908 3.905 13.294 1.00 0.00 H new ATOM 314 N SER A 133 18.853 1.812 10.989 1.00 0.00 N ATOM 315 CA SER A 133 18.171 0.798 10.123 1.00 0.00 C ATOM 316 C SER A 133 16.651 0.842 10.276 1.00 0.00 C ATOM 317 O SER A 133 15.976 -0.153 10.106 1.00 0.00 O ATOM 318 CB SER A 133 18.712 -0.560 10.574 1.00 0.00 C ATOM 319 OG SER A 133 19.049 -0.508 11.955 1.00 0.00 O ATOM 0 H SER A 133 19.575 2.357 10.517 1.00 0.00 H new ATOM 0 HA SER A 133 18.372 0.995 9.070 1.00 0.00 H new ATOM 0 HB2 SER A 133 17.965 -1.335 10.401 1.00 0.00 H new ATOM 0 HB3 SER A 133 19.590 -0.826 9.985 1.00 0.00 H new ATOM 0 HG SER A 133 18.250 -0.288 12.479 1.00 0.00 H new ATOM 325 N SER A 134 16.099 1.981 10.572 1.00 0.00 N ATOM 326 CA SER A 134 14.619 2.064 10.702 1.00 0.00 C ATOM 327 C SER A 134 13.997 2.138 9.306 1.00 0.00 C ATOM 328 O SER A 134 14.656 1.891 8.315 1.00 0.00 O ATOM 329 CB SER A 134 14.361 3.350 11.478 1.00 0.00 C ATOM 330 OG SER A 134 14.437 3.081 12.871 1.00 0.00 O ATOM 0 H SER A 134 16.603 2.854 10.729 1.00 0.00 H new ATOM 0 HA SER A 134 14.187 1.201 11.208 1.00 0.00 H new ATOM 0 HB2 SER A 134 15.094 4.108 11.202 1.00 0.00 H new ATOM 0 HB3 SER A 134 13.379 3.749 11.226 1.00 0.00 H new ATOM 0 HG SER A 134 14.057 3.834 13.371 1.00 0.00 H new ATOM 336 N THR A 135 12.743 2.477 9.206 1.00 0.00 N ATOM 337 CA THR A 135 12.115 2.561 7.856 1.00 0.00 C ATOM 338 C THR A 135 10.880 3.462 7.886 1.00 0.00 C ATOM 339 O THR A 135 10.313 3.727 8.928 1.00 0.00 O ATOM 340 CB THR A 135 11.723 1.127 7.502 1.00 0.00 C ATOM 341 OG1 THR A 135 12.727 0.235 7.964 1.00 0.00 O ATOM 342 CG2 THR A 135 11.583 1.001 5.983 1.00 0.00 C ATOM 0 H THR A 135 12.130 2.698 9.991 1.00 0.00 H new ATOM 0 HA THR A 135 12.796 2.991 7.122 1.00 0.00 H new ATOM 0 HB THR A 135 10.773 0.879 7.976 1.00 0.00 H new ATOM 0 HG1 THR A 135 12.476 -0.685 7.739 1.00 0.00 H new ATOM 0 HG21 THR A 135 11.303 -0.021 5.727 1.00 0.00 H new ATOM 0 HG22 THR A 135 10.813 1.687 5.630 1.00 0.00 H new ATOM 0 HG23 THR A 135 12.533 1.247 5.508 1.00 0.00 H new ATOM 350 N PHE A 136 10.462 3.934 6.743 1.00 0.00 N ATOM 351 CA PHE A 136 9.265 4.819 6.690 1.00 0.00 C ATOM 352 C PHE A 136 8.549 4.656 5.346 1.00 0.00 C ATOM 353 O PHE A 136 9.089 4.111 4.403 1.00 0.00 O ATOM 354 CB PHE A 136 9.808 6.241 6.826 1.00 0.00 C ATOM 355 CG PHE A 136 10.788 6.307 7.973 1.00 0.00 C ATOM 356 CD1 PHE A 136 10.327 6.544 9.274 1.00 0.00 C ATOM 357 CD2 PHE A 136 12.157 6.137 7.734 1.00 0.00 C ATOM 358 CE1 PHE A 136 11.237 6.609 10.336 1.00 0.00 C ATOM 359 CE2 PHE A 136 13.066 6.205 8.797 1.00 0.00 C ATOM 360 CZ PHE A 136 12.606 6.440 10.097 1.00 0.00 C ATOM 0 H PHE A 136 10.900 3.744 5.841 1.00 0.00 H new ATOM 0 HA PHE A 136 8.546 4.580 7.473 1.00 0.00 H new ATOM 0 HB2 PHE A 136 10.297 6.543 5.900 1.00 0.00 H new ATOM 0 HB3 PHE A 136 8.988 6.939 6.996 1.00 0.00 H new ATOM 0 HD1 PHE A 136 9.271 6.676 9.458 1.00 0.00 H new ATOM 0 HD2 PHE A 136 12.512 5.954 6.731 1.00 0.00 H new ATOM 0 HE1 PHE A 136 10.883 6.790 11.340 1.00 0.00 H new ATOM 0 HE2 PHE A 136 14.122 6.076 8.613 1.00 0.00 H new ATOM 0 HZ PHE A 136 13.307 6.491 10.917 1.00 0.00 H new ATOM 370 N THR A 137 7.341 5.134 5.252 1.00 0.00 N ATOM 371 CA THR A 137 6.586 5.020 3.971 1.00 0.00 C ATOM 372 C THR A 137 6.136 6.408 3.511 1.00 0.00 C ATOM 373 O THR A 137 6.498 7.411 4.093 1.00 0.00 O ATOM 374 CB THR A 137 5.379 4.141 4.298 1.00 0.00 C ATOM 375 OG1 THR A 137 4.991 4.356 5.648 1.00 0.00 O ATOM 376 CG2 THR A 137 5.747 2.670 4.096 1.00 0.00 C ATOM 0 H THR A 137 6.841 5.601 6.009 1.00 0.00 H new ATOM 0 HA THR A 137 7.187 4.595 3.167 1.00 0.00 H new ATOM 0 HB THR A 137 4.551 4.398 3.637 1.00 0.00 H new ATOM 0 HG1 THR A 137 4.894 3.493 6.102 1.00 0.00 H new ATOM 0 HG21 THR A 137 4.886 2.044 4.329 1.00 0.00 H new ATOM 0 HG22 THR A 137 6.043 2.508 3.060 1.00 0.00 H new ATOM 0 HG23 THR A 137 6.575 2.408 4.755 1.00 0.00 H new ATOM 384 N ASP A 138 5.347 6.478 2.475 1.00 0.00 N ATOM 385 CA ASP A 138 4.880 7.807 1.990 1.00 0.00 C ATOM 386 C ASP A 138 4.252 8.596 3.142 1.00 0.00 C ATOM 387 O ASP A 138 4.527 9.765 3.328 1.00 0.00 O ATOM 388 CB ASP A 138 3.839 7.497 0.915 1.00 0.00 C ATOM 389 CG ASP A 138 2.910 6.384 1.404 1.00 0.00 C ATOM 390 OD1 ASP A 138 3.321 5.236 1.364 1.00 0.00 O ATOM 391 OD2 ASP A 138 1.803 6.699 1.809 1.00 0.00 O ATOM 0 H ASP A 138 5.006 5.676 1.945 1.00 0.00 H new ATOM 0 HA ASP A 138 5.695 8.415 1.597 1.00 0.00 H new ATOM 0 HB2 ASP A 138 3.261 8.392 0.686 1.00 0.00 H new ATOM 0 HB3 ASP A 138 4.334 7.192 -0.007 1.00 0.00 H new ATOM 396 N LEU A 139 3.416 7.967 3.922 1.00 0.00 N ATOM 397 CA LEU A 139 2.783 8.688 5.064 1.00 0.00 C ATOM 398 C LEU A 139 3.868 9.276 5.970 1.00 0.00 C ATOM 399 O LEU A 139 3.622 10.178 6.747 1.00 0.00 O ATOM 400 CB LEU A 139 1.965 7.625 5.803 1.00 0.00 C ATOM 401 CG LEU A 139 2.899 6.723 6.610 1.00 0.00 C ATOM 402 CD1 LEU A 139 2.759 7.047 8.099 1.00 0.00 C ATOM 403 CD2 LEU A 139 2.522 5.259 6.370 1.00 0.00 C ATOM 0 H LEU A 139 3.144 6.989 3.819 1.00 0.00 H new ATOM 0 HA LEU A 139 2.156 9.519 4.741 1.00 0.00 H new ATOM 0 HB2 LEU A 139 1.244 8.103 6.466 1.00 0.00 H new ATOM 0 HB3 LEU A 139 1.396 7.029 5.089 1.00 0.00 H new ATOM 0 HG LEU A 139 3.929 6.891 6.297 1.00 0.00 H new ATOM 0 HD11 LEU A 139 3.425 6.404 8.675 1.00 0.00 H new ATOM 0 HD12 LEU A 139 3.023 8.090 8.271 1.00 0.00 H new ATOM 0 HD13 LEU A 139 1.729 6.877 8.413 1.00 0.00 H new ATOM 0 HD21 LEU A 139 3.186 4.613 6.944 1.00 0.00 H new ATOM 0 HD22 LEU A 139 1.492 5.092 6.685 1.00 0.00 H new ATOM 0 HD23 LEU A 139 2.619 5.028 5.309 1.00 0.00 H new ATOM 415 N GLU A 140 5.070 8.777 5.866 1.00 0.00 N ATOM 416 CA GLU A 140 6.180 9.310 6.707 1.00 0.00 C ATOM 417 C GLU A 140 7.070 10.222 5.863 1.00 0.00 C ATOM 418 O GLU A 140 7.882 10.966 6.376 1.00 0.00 O ATOM 419 CB GLU A 140 6.962 8.077 7.164 1.00 0.00 C ATOM 420 CG GLU A 140 6.072 7.205 8.050 1.00 0.00 C ATOM 421 CD GLU A 140 6.205 7.652 9.506 1.00 0.00 C ATOM 422 OE1 GLU A 140 7.229 8.226 9.838 1.00 0.00 O ATOM 423 OE2 GLU A 140 5.281 7.415 10.265 1.00 0.00 O ATOM 0 H GLU A 140 5.332 8.021 5.233 1.00 0.00 H new ATOM 0 HA GLU A 140 5.819 9.896 7.552 1.00 0.00 H new ATOM 0 HB2 GLU A 140 7.301 7.507 6.299 1.00 0.00 H new ATOM 0 HB3 GLU A 140 7.853 8.382 7.714 1.00 0.00 H new ATOM 0 HG2 GLU A 140 5.033 7.283 7.728 1.00 0.00 H new ATOM 0 HG3 GLU A 140 6.359 6.158 7.953 1.00 0.00 H new ATOM 430 N ALA A 141 6.922 10.166 4.568 1.00 0.00 N ATOM 431 CA ALA A 141 7.754 11.024 3.680 1.00 0.00 C ATOM 432 C ALA A 141 7.328 12.488 3.811 1.00 0.00 C ATOM 433 O ALA A 141 8.147 13.374 3.940 1.00 0.00 O ATOM 434 CB ALA A 141 7.478 10.506 2.266 1.00 0.00 C ATOM 0 H ALA A 141 6.258 9.560 4.086 1.00 0.00 H new ATOM 0 HA ALA A 141 8.814 10.980 3.932 1.00 0.00 H new ATOM 0 HB1 ALA A 141 8.055 11.087 1.547 1.00 0.00 H new ATOM 0 HB2 ALA A 141 7.767 9.457 2.200 1.00 0.00 H new ATOM 0 HB3 ALA A 141 6.416 10.605 2.043 1.00 0.00 H new ATOM 440 N ASN A 142 6.051 12.749 3.776 1.00 0.00 N ATOM 441 CA ASN A 142 5.570 14.155 3.895 1.00 0.00 C ATOM 442 C ASN A 142 5.937 14.739 5.263 1.00 0.00 C ATOM 443 O ASN A 142 6.079 15.936 5.416 1.00 0.00 O ATOM 444 CB ASN A 142 4.051 14.067 3.742 1.00 0.00 C ATOM 445 CG ASN A 142 3.508 12.968 4.658 1.00 0.00 C ATOM 446 OD1 ASN A 142 4.166 12.565 5.597 1.00 0.00 O ATOM 447 ND2 ASN A 142 2.328 12.463 4.425 1.00 0.00 N ATOM 0 H ASN A 142 5.318 12.048 3.670 1.00 0.00 H new ATOM 0 HA ASN A 142 6.023 14.805 3.146 1.00 0.00 H new ATOM 0 HB2 ASN A 142 3.594 15.024 3.994 1.00 0.00 H new ATOM 0 HB3 ASN A 142 3.791 13.852 2.705 1.00 0.00 H new ATOM 0 HD21 ASN A 142 1.958 11.730 5.031 1.00 0.00 H new ATOM 0 HD22 ASN A 142 1.775 12.801 3.637 1.00 0.00 H new ATOM 454 N GLN A 143 6.083 13.910 6.260 1.00 0.00 N ATOM 455 CA GLN A 143 6.432 14.432 7.614 1.00 0.00 C ATOM 456 C GLN A 143 7.946 14.358 7.849 1.00 0.00 C ATOM 457 O GLN A 143 8.516 15.182 8.535 1.00 0.00 O ATOM 458 CB GLN A 143 5.686 13.519 8.593 1.00 0.00 C ATOM 459 CG GLN A 143 6.426 12.187 8.730 1.00 0.00 C ATOM 460 CD GLN A 143 5.762 11.343 9.819 1.00 0.00 C ATOM 461 OE1 GLN A 143 6.365 11.055 10.833 1.00 0.00 O ATOM 462 NE2 GLN A 143 4.533 10.932 9.652 1.00 0.00 N ATOM 0 H GLN A 143 5.976 12.898 6.197 1.00 0.00 H new ATOM 0 HA GLN A 143 6.152 15.478 7.735 1.00 0.00 H new ATOM 0 HB2 GLN A 143 5.607 14.003 9.567 1.00 0.00 H new ATOM 0 HB3 GLN A 143 4.670 13.346 8.240 1.00 0.00 H new ATOM 0 HG2 GLN A 143 6.411 11.652 7.781 1.00 0.00 H new ATOM 0 HG3 GLN A 143 7.472 12.364 8.980 1.00 0.00 H new ATOM 0 HE21 GLN A 143 4.026 11.173 8.801 1.00 0.00 H new ATOM 0 HE22 GLN A 143 4.081 10.370 10.373 1.00 0.00 H new ATOM 471 N LEU A 144 8.599 13.378 7.289 1.00 0.00 N ATOM 472 CA LEU A 144 10.073 13.256 7.489 1.00 0.00 C ATOM 473 C LEU A 144 10.826 14.088 6.447 1.00 0.00 C ATOM 474 O LEU A 144 11.987 14.407 6.615 1.00 0.00 O ATOM 475 CB LEU A 144 10.377 11.770 7.300 1.00 0.00 C ATOM 476 CG LEU A 144 9.760 10.972 8.450 1.00 0.00 C ATOM 477 CD1 LEU A 144 10.136 9.497 8.306 1.00 0.00 C ATOM 478 CD2 LEU A 144 10.292 11.504 9.781 1.00 0.00 C ATOM 0 H LEU A 144 8.178 12.657 6.703 1.00 0.00 H new ATOM 0 HA LEU A 144 10.383 13.619 8.469 1.00 0.00 H new ATOM 0 HB2 LEU A 144 9.976 11.424 6.347 1.00 0.00 H new ATOM 0 HB3 LEU A 144 11.455 11.610 7.269 1.00 0.00 H new ATOM 0 HG LEU A 144 8.675 11.075 8.423 1.00 0.00 H new ATOM 0 HD11 LEU A 144 9.697 8.928 9.125 1.00 0.00 H new ATOM 0 HD12 LEU A 144 9.759 9.116 7.357 1.00 0.00 H new ATOM 0 HD13 LEU A 144 11.221 9.394 8.333 1.00 0.00 H new ATOM 0 HD21 LEU A 144 9.853 10.936 10.601 1.00 0.00 H new ATOM 0 HD22 LEU A 144 11.377 11.400 9.807 1.00 0.00 H new ATOM 0 HD23 LEU A 144 10.026 12.556 9.885 1.00 0.00 H new ATOM 490 N PHE A 145 10.178 14.438 5.372 1.00 0.00 N ATOM 491 CA PHE A 145 10.862 15.244 4.319 1.00 0.00 C ATOM 492 C PHE A 145 11.231 16.629 4.859 1.00 0.00 C ATOM 493 O PHE A 145 10.483 17.239 5.598 1.00 0.00 O ATOM 494 CB PHE A 145 9.842 15.366 3.187 1.00 0.00 C ATOM 495 CG PHE A 145 10.429 16.189 2.068 1.00 0.00 C ATOM 496 CD1 PHE A 145 11.548 15.721 1.369 1.00 0.00 C ATOM 497 CD2 PHE A 145 9.855 17.420 1.729 1.00 0.00 C ATOM 498 CE1 PHE A 145 12.093 16.485 0.330 1.00 0.00 C ATOM 499 CE2 PHE A 145 10.401 18.184 0.690 1.00 0.00 C ATOM 500 CZ PHE A 145 11.519 17.716 -0.010 1.00 0.00 C ATOM 0 H PHE A 145 9.205 14.202 5.175 1.00 0.00 H new ATOM 0 HA PHE A 145 11.790 14.779 3.986 1.00 0.00 H new ATOM 0 HB2 PHE A 145 9.569 14.376 2.821 1.00 0.00 H new ATOM 0 HB3 PHE A 145 8.928 15.832 3.555 1.00 0.00 H new ATOM 0 HD1 PHE A 145 11.991 14.771 1.631 1.00 0.00 H new ATOM 0 HD2 PHE A 145 8.992 17.780 2.268 1.00 0.00 H new ATOM 0 HE1 PHE A 145 12.956 16.125 -0.209 1.00 0.00 H new ATOM 0 HE2 PHE A 145 9.959 19.134 0.429 1.00 0.00 H new ATOM 0 HZ PHE A 145 11.939 18.304 -0.812 1.00 0.00 H new ATOM 510 N ASP A 146 12.378 17.132 4.490 1.00 0.00 N ATOM 511 CA ASP A 146 12.797 18.478 4.976 1.00 0.00 C ATOM 512 C ASP A 146 13.507 19.243 3.854 1.00 0.00 C ATOM 513 O ASP A 146 14.348 18.698 3.167 1.00 0.00 O ATOM 514 CB ASP A 146 13.757 18.203 6.133 1.00 0.00 C ATOM 515 CG ASP A 146 13.042 17.377 7.203 1.00 0.00 C ATOM 516 OD1 ASP A 146 12.055 17.858 7.734 1.00 0.00 O ATOM 517 OD2 ASP A 146 13.494 16.277 7.473 1.00 0.00 O ATOM 0 H ASP A 146 13.044 16.668 3.872 1.00 0.00 H new ATOM 0 HA ASP A 146 11.950 19.088 5.291 1.00 0.00 H new ATOM 0 HB2 ASP A 146 14.635 17.668 5.772 1.00 0.00 H new ATOM 0 HB3 ASP A 146 14.109 19.143 6.559 1.00 0.00 H new ATOM 522 N PRO A 147 13.136 20.486 3.705 1.00 0.00 N ATOM 523 CA PRO A 147 13.738 21.342 2.652 1.00 0.00 C ATOM 524 C PRO A 147 15.164 21.751 3.034 1.00 0.00 C ATOM 525 O PRO A 147 15.885 22.328 2.244 1.00 0.00 O ATOM 526 CB PRO A 147 12.818 22.558 2.614 1.00 0.00 C ATOM 527 CG PRO A 147 12.189 22.616 3.969 1.00 0.00 C ATOM 528 CD PRO A 147 12.132 21.204 4.495 1.00 0.00 C ATOM 0 HA PRO A 147 13.818 20.839 1.688 1.00 0.00 H new ATOM 0 HB2 PRO A 147 13.378 23.469 2.400 1.00 0.00 H new ATOM 0 HB3 PRO A 147 12.064 22.457 1.834 1.00 0.00 H new ATOM 0 HG2 PRO A 147 12.771 23.252 4.636 1.00 0.00 H new ATOM 0 HG3 PRO A 147 11.189 23.046 3.911 1.00 0.00 H new ATOM 0 HD2 PRO A 147 12.361 21.166 5.560 1.00 0.00 H new ATOM 0 HD3 PRO A 147 11.140 20.771 4.367 1.00 0.00 H new ATOM 536 N MET A 148 15.577 21.462 4.238 1.00 0.00 N ATOM 537 CA MET A 148 16.956 21.841 4.663 1.00 0.00 C ATOM 538 C MET A 148 17.990 20.930 3.994 1.00 0.00 C ATOM 539 O MET A 148 19.148 21.277 3.874 1.00 0.00 O ATOM 540 CB MET A 148 16.972 21.648 6.180 1.00 0.00 C ATOM 541 CG MET A 148 16.529 20.226 6.520 1.00 0.00 C ATOM 542 SD MET A 148 17.932 19.301 7.192 1.00 0.00 S ATOM 543 CE MET A 148 17.903 20.019 8.854 1.00 0.00 C ATOM 0 H MET A 148 15.021 20.981 4.945 1.00 0.00 H new ATOM 0 HA MET A 148 17.206 22.863 4.380 1.00 0.00 H new ATOM 0 HB2 MET A 148 17.974 21.831 6.569 1.00 0.00 H new ATOM 0 HB3 MET A 148 16.308 22.370 6.656 1.00 0.00 H new ATOM 0 HG2 MET A 148 15.715 20.251 7.245 1.00 0.00 H new ATOM 0 HG3 MET A 148 16.146 19.730 5.628 1.00 0.00 H new ATOM 0 HE1 MET A 148 18.702 19.582 9.453 1.00 0.00 H new ATOM 0 HE2 MET A 148 18.047 21.097 8.787 1.00 0.00 H new ATOM 0 HE3 MET A 148 16.942 19.810 9.324 1.00 0.00 H new ATOM 553 N THR A 149 17.584 19.770 3.559 1.00 0.00 N ATOM 554 CA THR A 149 18.550 18.842 2.900 1.00 0.00 C ATOM 555 C THR A 149 18.023 18.399 1.531 1.00 0.00 C ATOM 556 O THR A 149 18.745 17.835 0.733 1.00 0.00 O ATOM 557 CB THR A 149 18.658 17.644 3.846 1.00 0.00 C ATOM 558 OG1 THR A 149 19.421 16.621 3.223 1.00 0.00 O ATOM 559 CG2 THR A 149 17.258 17.118 4.167 1.00 0.00 C ATOM 0 H THR A 149 16.627 19.423 3.630 1.00 0.00 H new ATOM 0 HA THR A 149 19.516 19.315 2.725 1.00 0.00 H new ATOM 0 HB THR A 149 19.147 17.951 4.770 1.00 0.00 H new ATOM 0 HG1 THR A 149 18.848 16.111 2.613 1.00 0.00 H new ATOM 0 HG21 THR A 149 17.336 16.265 4.841 1.00 0.00 H new ATOM 0 HG22 THR A 149 16.674 17.905 4.644 1.00 0.00 H new ATOM 0 HG23 THR A 149 16.765 16.809 3.245 1.00 0.00 H new ATOM 567 N GLY A 150 16.772 18.646 1.253 1.00 0.00 N ATOM 568 CA GLY A 150 16.208 18.233 -0.063 1.00 0.00 C ATOM 569 C GLY A 150 15.924 16.730 -0.044 1.00 0.00 C ATOM 570 O GLY A 150 15.896 16.079 -1.070 1.00 0.00 O ATOM 0 H GLY A 150 16.117 19.115 1.879 1.00 0.00 H new ATOM 0 HA2 GLY A 150 15.291 18.785 -0.268 1.00 0.00 H new ATOM 0 HA3 GLY A 150 16.909 18.472 -0.863 1.00 0.00 H new ATOM 574 N THR A 151 15.716 16.172 1.118 1.00 0.00 N ATOM 575 CA THR A 151 15.434 14.710 1.206 1.00 0.00 C ATOM 576 C THR A 151 14.603 14.408 2.455 1.00 0.00 C ATOM 577 O THR A 151 13.921 15.265 2.980 1.00 0.00 O ATOM 578 CB THR A 151 16.807 14.039 1.304 1.00 0.00 C ATOM 579 OG1 THR A 151 17.830 15.018 1.170 1.00 0.00 O ATOM 580 CG2 THR A 151 16.948 12.998 0.192 1.00 0.00 C ATOM 0 H THR A 151 15.729 16.665 2.011 1.00 0.00 H new ATOM 0 HA THR A 151 14.867 14.350 0.348 1.00 0.00 H new ATOM 0 HB THR A 151 16.900 13.550 2.274 1.00 0.00 H new ATOM 0 HG1 THR A 151 18.707 14.586 1.235 1.00 0.00 H new ATOM 0 HG21 THR A 151 17.925 12.521 0.262 1.00 0.00 H new ATOM 0 HG22 THR A 151 16.168 12.244 0.298 1.00 0.00 H new ATOM 0 HG23 THR A 151 16.851 13.486 -0.778 1.00 0.00 H new ATOM 588 N PHE A 152 14.658 13.197 2.936 1.00 0.00 N ATOM 589 CA PHE A 152 13.875 12.842 4.153 1.00 0.00 C ATOM 590 C PHE A 152 14.824 12.555 5.318 1.00 0.00 C ATOM 591 O PHE A 152 15.876 11.972 5.143 1.00 0.00 O ATOM 592 CB PHE A 152 13.095 11.585 3.767 1.00 0.00 C ATOM 593 CG PHE A 152 12.208 11.890 2.584 1.00 0.00 C ATOM 594 CD1 PHE A 152 12.763 11.997 1.303 1.00 0.00 C ATOM 595 CD2 PHE A 152 10.832 12.068 2.768 1.00 0.00 C ATOM 596 CE1 PHE A 152 11.942 12.282 0.206 1.00 0.00 C ATOM 597 CE2 PHE A 152 10.010 12.353 1.671 1.00 0.00 C ATOM 598 CZ PHE A 152 10.565 12.460 0.390 1.00 0.00 C ATOM 0 H PHE A 152 15.211 12.438 2.539 1.00 0.00 H new ATOM 0 HA PHE A 152 13.213 13.646 4.474 1.00 0.00 H new ATOM 0 HB2 PHE A 152 13.784 10.777 3.520 1.00 0.00 H new ATOM 0 HB3 PHE A 152 12.493 11.244 4.609 1.00 0.00 H new ATOM 0 HD1 PHE A 152 13.825 11.860 1.161 1.00 0.00 H new ATOM 0 HD2 PHE A 152 10.404 11.986 3.756 1.00 0.00 H new ATOM 0 HE1 PHE A 152 12.370 12.365 -0.782 1.00 0.00 H new ATOM 0 HE2 PHE A 152 8.948 12.490 1.813 1.00 0.00 H new ATOM 0 HZ PHE A 152 9.931 12.680 -0.456 1.00 0.00 H new ATOM 608 N ARG A 153 14.468 12.962 6.505 1.00 0.00 N ATOM 609 CA ARG A 153 15.360 12.713 7.671 1.00 0.00 C ATOM 610 C ARG A 153 14.691 11.766 8.669 1.00 0.00 C ATOM 611 O ARG A 153 13.508 11.853 8.934 1.00 0.00 O ATOM 612 CB ARG A 153 15.585 14.087 8.304 1.00 0.00 C ATOM 613 CG ARG A 153 16.790 14.760 7.644 1.00 0.00 C ATOM 614 CD ARG A 153 17.658 15.423 8.716 1.00 0.00 C ATOM 615 NE ARG A 153 19.062 15.192 8.272 1.00 0.00 N ATOM 616 CZ ARG A 153 19.962 16.122 8.444 1.00 0.00 C ATOM 617 NH1 ARG A 153 20.163 16.624 9.630 1.00 0.00 N ATOM 618 NH2 ARG A 153 20.660 16.551 7.426 1.00 0.00 N ATOM 0 H ARG A 153 13.601 13.455 6.717 1.00 0.00 H new ATOM 0 HA ARG A 153 16.297 12.243 7.373 1.00 0.00 H new ATOM 0 HB2 ARG A 153 14.696 14.706 8.181 1.00 0.00 H new ATOM 0 HB3 ARG A 153 15.755 13.982 9.376 1.00 0.00 H new ATOM 0 HG2 ARG A 153 17.374 14.023 7.093 1.00 0.00 H new ATOM 0 HG3 ARG A 153 16.454 15.504 6.922 1.00 0.00 H new ATOM 0 HD2 ARG A 153 17.440 16.488 8.798 1.00 0.00 H new ATOM 0 HD3 ARG A 153 17.477 14.984 9.697 1.00 0.00 H new ATOM 0 HE ARG A 153 19.320 14.308 7.834 1.00 0.00 H new ATOM 0 HH11 ARG A 153 19.617 16.290 10.424 1.00 0.00 H new ATOM 0 HH12 ARG A 153 20.866 17.351 9.764 1.00 0.00 H new ATOM 0 HH21 ARG A 153 20.502 16.159 6.498 1.00 0.00 H new ATOM 0 HH22 ARG A 153 21.363 17.278 7.560 1.00 0.00 H new ATOM 632 N CYS A 154 15.451 10.865 9.226 1.00 0.00 N ATOM 633 CA CYS A 154 14.889 9.904 10.217 1.00 0.00 C ATOM 634 C CYS A 154 14.023 10.647 11.239 1.00 0.00 C ATOM 635 O CYS A 154 13.930 11.858 11.222 1.00 0.00 O ATOM 636 CB CYS A 154 16.122 9.307 10.888 1.00 0.00 C ATOM 637 SG CYS A 154 15.677 7.820 11.808 1.00 0.00 S ATOM 0 H CYS A 154 16.447 10.752 9.036 1.00 0.00 H new ATOM 0 HA CYS A 154 14.252 9.145 9.763 1.00 0.00 H new ATOM 0 HB2 CYS A 154 16.873 9.066 10.136 1.00 0.00 H new ATOM 0 HB3 CYS A 154 16.568 10.039 11.561 1.00 0.00 H new ATOM 0 HG CYS A 154 16.405 6.823 11.400 1.00 0.00 H new ATOM 642 N THR A 155 13.391 9.935 12.132 1.00 0.00 N ATOM 643 CA THR A 155 12.536 10.614 13.149 1.00 0.00 C ATOM 644 C THR A 155 13.069 10.355 14.559 1.00 0.00 C ATOM 645 O THR A 155 12.767 11.080 15.486 1.00 0.00 O ATOM 646 CB THR A 155 11.142 10.000 12.981 1.00 0.00 C ATOM 647 OG1 THR A 155 11.133 9.132 11.856 1.00 0.00 O ATOM 648 CG2 THR A 155 10.115 11.114 12.777 1.00 0.00 C ATOM 0 H THR A 155 13.429 8.918 12.202 1.00 0.00 H new ATOM 0 HA THR A 155 12.523 11.695 13.011 1.00 0.00 H new ATOM 0 HB THR A 155 10.888 9.431 13.876 1.00 0.00 H new ATOM 0 HG1 THR A 155 11.544 8.277 12.100 1.00 0.00 H new ATOM 0 HG21 THR A 155 9.123 10.677 12.657 1.00 0.00 H new ATOM 0 HG22 THR A 155 10.118 11.775 13.644 1.00 0.00 H new ATOM 0 HG23 THR A 155 10.370 11.685 11.884 1.00 0.00 H new ATOM 656 N PHE A 156 13.861 9.333 14.735 1.00 0.00 N ATOM 657 CA PHE A 156 14.406 9.048 16.095 1.00 0.00 C ATOM 658 C PHE A 156 15.914 9.291 16.115 1.00 0.00 C ATOM 659 O PHE A 156 16.452 9.835 17.059 1.00 0.00 O ATOM 660 CB PHE A 156 14.087 7.579 16.421 1.00 0.00 C ATOM 661 CG PHE A 156 13.549 6.846 15.212 1.00 0.00 C ATOM 662 CD1 PHE A 156 14.413 6.472 14.179 1.00 0.00 C ATOM 663 CD2 PHE A 156 12.185 6.543 15.130 1.00 0.00 C ATOM 664 CE1 PHE A 156 13.913 5.797 13.062 1.00 0.00 C ATOM 665 CE2 PHE A 156 11.684 5.867 14.012 1.00 0.00 C ATOM 666 CZ PHE A 156 12.549 5.494 12.977 1.00 0.00 C ATOM 0 H PHE A 156 14.153 8.686 14.002 1.00 0.00 H new ATOM 0 HA PHE A 156 13.956 9.705 16.840 1.00 0.00 H new ATOM 0 HB2 PHE A 156 14.988 7.081 16.778 1.00 0.00 H new ATOM 0 HB3 PHE A 156 13.357 7.535 17.229 1.00 0.00 H new ATOM 0 HD1 PHE A 156 15.466 6.704 14.244 1.00 0.00 H new ATOM 0 HD2 PHE A 156 11.519 6.831 15.930 1.00 0.00 H new ATOM 0 HE1 PHE A 156 14.580 5.509 12.263 1.00 0.00 H new ATOM 0 HE2 PHE A 156 10.632 5.633 13.948 1.00 0.00 H new ATOM 0 HZ PHE A 156 12.164 4.973 12.113 1.00 0.00 H new ATOM 676 N CYS A 157 16.598 8.909 15.077 1.00 0.00 N ATOM 677 CA CYS A 157 18.069 9.139 15.036 1.00 0.00 C ATOM 678 C CYS A 157 18.390 10.181 13.948 1.00 0.00 C ATOM 679 O CYS A 157 19.506 10.305 13.487 1.00 0.00 O ATOM 680 CB CYS A 157 18.681 7.746 14.774 1.00 0.00 C ATOM 681 SG CYS A 157 19.212 7.550 13.053 1.00 0.00 S ATOM 0 H CYS A 157 16.205 8.448 14.256 1.00 0.00 H new ATOM 0 HA CYS A 157 18.484 9.551 15.956 1.00 0.00 H new ATOM 0 HB2 CYS A 157 19.534 7.594 15.436 1.00 0.00 H new ATOM 0 HB3 CYS A 157 17.948 6.977 15.017 1.00 0.00 H new ATOM 0 HG CYS A 157 18.174 7.594 12.271 1.00 0.00 H new ATOM 686 N HIS A 158 17.392 10.939 13.571 1.00 0.00 N ATOM 687 CA HIS A 158 17.553 12.017 12.541 1.00 0.00 C ATOM 688 C HIS A 158 18.631 11.700 11.496 1.00 0.00 C ATOM 689 O HIS A 158 19.260 12.594 10.966 1.00 0.00 O ATOM 690 CB HIS A 158 17.937 13.262 13.338 1.00 0.00 C ATOM 691 CG HIS A 158 16.690 14.008 13.728 1.00 0.00 C ATOM 692 ND1 HIS A 158 16.029 14.852 12.850 1.00 0.00 N ATOM 693 CD2 HIS A 158 15.971 14.048 14.898 1.00 0.00 C ATOM 694 CE1 HIS A 158 14.963 15.360 13.498 1.00 0.00 C ATOM 695 NE2 HIS A 158 14.882 14.902 14.751 1.00 0.00 N ATOM 0 H HIS A 158 16.446 10.855 13.943 1.00 0.00 H new ATOM 0 HA HIS A 158 16.634 12.137 11.968 1.00 0.00 H new ATOM 0 HB2 HIS A 158 18.498 12.979 14.228 1.00 0.00 H new ATOM 0 HB3 HIS A 158 18.587 13.903 12.742 1.00 0.00 H new ATOM 0 HD2 HIS A 158 16.214 13.500 15.796 1.00 0.00 H new ATOM 0 HE1 HIS A 158 14.260 16.052 13.059 1.00 0.00 H new ATOM 0 HE2 HIS A 158 14.174 15.129 15.449 1.00 0.00 H new ATOM 703 N THR A 159 18.840 10.457 11.162 1.00 0.00 N ATOM 704 CA THR A 159 19.860 10.146 10.120 1.00 0.00 C ATOM 705 C THR A 159 19.213 10.234 8.735 1.00 0.00 C ATOM 706 O THR A 159 18.026 10.018 8.583 1.00 0.00 O ATOM 707 CB THR A 159 20.317 8.717 10.406 1.00 0.00 C ATOM 708 OG1 THR A 159 21.177 8.716 11.537 1.00 0.00 O ATOM 709 CG2 THR A 159 21.066 8.167 9.186 1.00 0.00 C ATOM 0 H THR A 159 18.356 9.652 11.559 1.00 0.00 H new ATOM 0 HA THR A 159 20.699 10.842 10.139 1.00 0.00 H new ATOM 0 HB THR A 159 19.450 8.088 10.610 1.00 0.00 H new ATOM 0 HG1 THR A 159 20.668 8.460 12.335 1.00 0.00 H new ATOM 0 HG21 THR A 159 21.393 7.147 9.389 1.00 0.00 H new ATOM 0 HG22 THR A 159 20.404 8.170 8.320 1.00 0.00 H new ATOM 0 HG23 THR A 159 21.935 8.792 8.980 1.00 0.00 H new ATOM 717 N GLU A 160 19.974 10.547 7.724 1.00 0.00 N ATOM 718 CA GLU A 160 19.386 10.643 6.357 1.00 0.00 C ATOM 719 C GLU A 160 18.844 9.279 5.922 1.00 0.00 C ATOM 720 O GLU A 160 19.564 8.301 5.872 1.00 0.00 O ATOM 721 CB GLU A 160 20.540 11.078 5.456 1.00 0.00 C ATOM 722 CG GLU A 160 20.140 12.345 4.697 1.00 0.00 C ATOM 723 CD GLU A 160 20.825 12.358 3.329 1.00 0.00 C ATOM 724 OE1 GLU A 160 22.028 12.563 3.294 1.00 0.00 O ATOM 725 OE2 GLU A 160 20.136 12.163 2.341 1.00 0.00 O ATOM 0 H GLU A 160 20.974 10.740 7.783 1.00 0.00 H new ATOM 0 HA GLU A 160 18.553 11.345 6.312 1.00 0.00 H new ATOM 0 HB2 GLU A 160 21.432 11.265 6.053 1.00 0.00 H new ATOM 0 HB3 GLU A 160 20.788 10.282 4.753 1.00 0.00 H new ATOM 0 HG2 GLU A 160 19.058 12.382 4.574 1.00 0.00 H new ATOM 0 HG3 GLU A 160 20.426 13.229 5.267 1.00 0.00 H new ATOM 732 N VAL A 161 17.579 9.205 5.610 1.00 0.00 N ATOM 733 CA VAL A 161 16.992 7.902 5.182 1.00 0.00 C ATOM 734 C VAL A 161 17.171 7.705 3.675 1.00 0.00 C ATOM 735 O VAL A 161 17.526 8.619 2.957 1.00 0.00 O ATOM 736 CB VAL A 161 15.509 8.001 5.540 1.00 0.00 C ATOM 737 CG1 VAL A 161 15.361 8.185 7.050 1.00 0.00 C ATOM 738 CG2 VAL A 161 14.889 9.200 4.819 1.00 0.00 C ATOM 0 H VAL A 161 16.927 9.989 5.633 1.00 0.00 H new ATOM 0 HA VAL A 161 17.474 7.054 5.668 1.00 0.00 H new ATOM 0 HB VAL A 161 15.000 7.088 5.232 1.00 0.00 H new ATOM 0 HG11 VAL A 161 14.304 8.256 7.306 1.00 0.00 H new ATOM 0 HG12 VAL A 161 15.803 7.332 7.565 1.00 0.00 H new ATOM 0 HG13 VAL A 161 15.870 9.098 7.357 1.00 0.00 H new ATOM 0 HG21 VAL A 161 13.832 9.271 5.074 1.00 0.00 H new ATOM 0 HG22 VAL A 161 15.399 10.113 5.127 1.00 0.00 H new ATOM 0 HG23 VAL A 161 14.995 9.071 3.742 1.00 0.00 H new ATOM 748 N GLU A 162 16.926 6.518 3.191 1.00 0.00 N ATOM 749 CA GLU A 162 17.080 6.259 1.730 1.00 0.00 C ATOM 750 C GLU A 162 15.944 5.361 1.232 1.00 0.00 C ATOM 751 O GLU A 162 15.563 4.407 1.882 1.00 0.00 O ATOM 752 CB GLU A 162 18.426 5.544 1.593 1.00 0.00 C ATOM 753 CG GLU A 162 19.548 6.580 1.488 1.00 0.00 C ATOM 754 CD GLU A 162 20.130 6.560 0.073 1.00 0.00 C ATOM 755 OE1 GLU A 162 20.296 5.477 -0.462 1.00 0.00 O ATOM 756 OE2 GLU A 162 20.399 7.628 -0.450 1.00 0.00 O ATOM 0 H GLU A 162 16.626 5.715 3.744 1.00 0.00 H new ATOM 0 HA GLU A 162 17.044 7.176 1.142 1.00 0.00 H new ATOM 0 HB2 GLU A 162 18.595 4.896 2.453 1.00 0.00 H new ATOM 0 HB3 GLU A 162 18.422 4.906 0.709 1.00 0.00 H new ATOM 0 HG2 GLU A 162 19.163 7.573 1.721 1.00 0.00 H new ATOM 0 HG3 GLU A 162 20.328 6.362 2.217 1.00 0.00 H new ATOM 763 N GLU A 163 15.400 5.657 0.083 1.00 0.00 N ATOM 764 CA GLU A 163 14.290 4.817 -0.452 1.00 0.00 C ATOM 765 C GLU A 163 14.627 3.332 -0.287 1.00 0.00 C ATOM 766 O GLU A 163 15.730 2.903 -0.558 1.00 0.00 O ATOM 767 CB GLU A 163 14.194 5.184 -1.934 1.00 0.00 C ATOM 768 CG GLU A 163 13.116 6.254 -2.127 1.00 0.00 C ATOM 769 CD GLU A 163 12.297 5.932 -3.379 1.00 0.00 C ATOM 770 OE1 GLU A 163 12.775 5.159 -4.194 1.00 0.00 O ATOM 771 OE2 GLU A 163 11.206 6.465 -3.501 1.00 0.00 O ATOM 0 H GLU A 163 15.675 6.442 -0.507 1.00 0.00 H new ATOM 0 HA GLU A 163 13.350 4.990 0.072 1.00 0.00 H new ATOM 0 HB2 GLU A 163 15.155 5.553 -2.291 1.00 0.00 H new ATOM 0 HB3 GLU A 163 13.953 4.299 -2.524 1.00 0.00 H new ATOM 0 HG2 GLU A 163 12.465 6.292 -1.253 1.00 0.00 H new ATOM 0 HG3 GLU A 163 13.577 7.237 -2.224 1.00 0.00 H new ATOM 778 N ASP A 164 13.685 2.547 0.158 1.00 0.00 N ATOM 779 CA ASP A 164 13.954 1.091 0.341 1.00 0.00 C ATOM 780 C ASP A 164 13.514 0.310 -0.900 1.00 0.00 C ATOM 781 O ASP A 164 12.370 0.363 -1.306 1.00 0.00 O ATOM 782 CB ASP A 164 13.119 0.686 1.555 1.00 0.00 C ATOM 783 CG ASP A 164 13.645 -0.636 2.119 1.00 0.00 C ATOM 784 OD1 ASP A 164 14.710 -1.054 1.699 1.00 0.00 O ATOM 785 OD2 ASP A 164 12.974 -1.205 2.964 1.00 0.00 O ATOM 0 H ASP A 164 12.742 2.849 0.403 1.00 0.00 H new ATOM 0 HA ASP A 164 15.014 0.881 0.486 1.00 0.00 H new ATOM 0 HB2 ASP A 164 13.166 1.463 2.318 1.00 0.00 H new ATOM 0 HB3 ASP A 164 12.072 0.581 1.271 1.00 0.00 H new