USER MOD reduce.3.24.130724 H: found=0, std=0, add=276, rem=0, adj=16 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 149 THR OG1 : rot -71:sc= 0.924 USER MOD Set 1.2: A 151 THR OG1 : rot -80:sc= -0.792 USER MOD Set 2.1: A 129 CYS SG : rot -151:sc= -2.26! USER MOD Set 2.2: A 132 CYS SG : rot 176:sc= -1.47! USER MOD Set 2.3: A 134 SER OG : rot 144:sc= 1.16 USER MOD Set 2.4: A 154 CYS SG : rot 125:sc= -5.79! USER MOD Set 2.5: A 157 CYS SG : rot -65:sc= -4.17! USER MOD Set 2.6: A 159 THR OG1 : rot 107:sc= -1.82! USER MOD Single : A 126 SER OG : rot 180:sc= 0 USER MOD Single : A 128 LYS NZ :NH3+ 172:sc= 0.179 (180deg=0.128) USER MOD Single : A 133 SER OG : rot 49:sc= -0.651! USER MOD Single : A 135 THR OG1 : rot 180:sc= -0.992 USER MOD Single : A 137 THR OG1 : rot 180:sc= 0 USER MOD Single : A 142 ASN : amide:sc= -0.699 K(o=-0.7,f=-2.9!) USER MOD Single : A 143 GLN :FLIP amide:sc= -2.09! C(o=-3!,f=-2.1!) USER MOD Single : A 148 MET CE :methyl -152:sc= -0.546 (180deg=-1.7) USER MOD Single : A 155 THR OG1 : rot 92:sc= -0.238 USER MOD Single : A 158 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 211 N SER A 126 8.780 3.905 0.310 1.00 0.00 N ATOM 212 CA SER A 126 9.370 3.260 1.517 1.00 0.00 C ATOM 213 C SER A 126 10.833 3.680 1.677 1.00 0.00 C ATOM 214 O SER A 126 11.664 3.404 0.836 1.00 0.00 O ATOM 215 CB SER A 126 9.270 1.758 1.252 1.00 0.00 C ATOM 216 OG SER A 126 10.190 1.071 2.090 1.00 0.00 O ATOM 0 HA SER A 126 8.854 3.547 2.433 1.00 0.00 H new ATOM 0 HB2 SER A 126 8.255 1.410 1.444 1.00 0.00 H new ATOM 0 HB3 SER A 126 9.486 1.547 0.205 1.00 0.00 H new ATOM 0 HG SER A 126 10.127 0.107 1.924 1.00 0.00 H new ATOM 222 N PHE A 127 11.153 4.349 2.750 1.00 0.00 N ATOM 223 CA PHE A 127 12.561 4.787 2.961 1.00 0.00 C ATOM 224 C PHE A 127 13.186 4.020 4.127 1.00 0.00 C ATOM 225 O PHE A 127 12.522 3.680 5.087 1.00 0.00 O ATOM 226 CB PHE A 127 12.468 6.277 3.290 1.00 0.00 C ATOM 227 CG PHE A 127 11.563 6.956 2.293 1.00 0.00 C ATOM 228 CD1 PHE A 127 10.173 6.872 2.440 1.00 0.00 C ATOM 229 CD2 PHE A 127 12.112 7.668 1.221 1.00 0.00 C ATOM 230 CE1 PHE A 127 9.333 7.500 1.514 1.00 0.00 C ATOM 231 CE2 PHE A 127 11.272 8.297 0.296 1.00 0.00 C ATOM 232 CZ PHE A 127 9.882 8.214 0.442 1.00 0.00 C ATOM 0 H PHE A 127 10.501 4.611 3.489 1.00 0.00 H new ATOM 0 HA PHE A 127 13.185 4.600 2.087 1.00 0.00 H new ATOM 0 HB2 PHE A 127 12.082 6.414 4.300 1.00 0.00 H new ATOM 0 HB3 PHE A 127 13.460 6.729 3.264 1.00 0.00 H new ATOM 0 HD1 PHE A 127 9.750 6.323 3.268 1.00 0.00 H new ATOM 0 HD2 PHE A 127 13.184 7.732 1.108 1.00 0.00 H new ATOM 0 HE1 PHE A 127 8.261 7.434 1.626 1.00 0.00 H new ATOM 0 HE2 PHE A 127 11.696 8.847 -0.531 1.00 0.00 H new ATOM 0 HZ PHE A 127 9.234 8.700 -0.272 1.00 0.00 H new ATOM 242 N LYS A 128 14.458 3.745 4.051 1.00 0.00 N ATOM 243 CA LYS A 128 15.125 3.002 5.153 1.00 0.00 C ATOM 244 C LYS A 128 16.312 3.810 5.692 1.00 0.00 C ATOM 245 O LYS A 128 17.008 4.479 4.955 1.00 0.00 O ATOM 246 CB LYS A 128 15.590 1.686 4.520 1.00 0.00 C ATOM 247 CG LYS A 128 16.725 1.074 5.350 1.00 0.00 C ATOM 248 CD LYS A 128 16.388 -0.380 5.686 1.00 0.00 C ATOM 249 CE LYS A 128 16.059 -0.491 7.176 1.00 0.00 C ATOM 250 NZ LYS A 128 16.728 -1.745 7.624 1.00 0.00 N ATOM 0 H LYS A 128 15.064 4.003 3.272 1.00 0.00 H new ATOM 0 HA LYS A 128 14.462 2.825 6.000 1.00 0.00 H new ATOM 0 HB2 LYS A 128 14.755 0.987 4.460 1.00 0.00 H new ATOM 0 HB3 LYS A 128 15.930 1.864 3.500 1.00 0.00 H new ATOM 0 HG2 LYS A 128 17.662 1.122 4.795 1.00 0.00 H new ATOM 0 HG3 LYS A 128 16.868 1.646 6.267 1.00 0.00 H new ATOM 0 HD2 LYS A 128 15.541 -0.716 5.089 1.00 0.00 H new ATOM 0 HD3 LYS A 128 17.229 -1.027 5.438 1.00 0.00 H new ATOM 0 HE2 LYS A 128 16.429 0.373 7.728 1.00 0.00 H new ATOM 0 HE3 LYS A 128 14.982 -0.537 7.341 1.00 0.00 H new ATOM 0 HZ1 LYS A 128 16.664 -1.822 8.659 1.00 0.00 H new ATOM 0 HZ2 LYS A 128 16.259 -2.564 7.187 1.00 0.00 H new ATOM 0 HZ3 LYS A 128 17.728 -1.726 7.339 1.00 0.00 H new ATOM 264 N CYS A 129 16.539 3.749 6.976 1.00 0.00 N ATOM 265 CA CYS A 129 17.670 4.506 7.577 1.00 0.00 C ATOM 266 C CYS A 129 18.912 3.613 7.670 1.00 0.00 C ATOM 267 O CYS A 129 18.826 2.472 8.077 1.00 0.00 O ATOM 268 CB CYS A 129 17.177 4.892 8.969 1.00 0.00 C ATOM 269 SG CYS A 129 18.410 5.912 9.799 1.00 0.00 S ATOM 0 H CYS A 129 15.985 3.204 7.637 1.00 0.00 H new ATOM 0 HA CYS A 129 17.953 5.377 6.986 1.00 0.00 H new ATOM 0 HB2 CYS A 129 16.235 5.436 8.892 1.00 0.00 H new ATOM 0 HB3 CYS A 129 16.980 3.995 9.556 1.00 0.00 H new ATOM 0 HG CYS A 129 18.319 5.743 11.085 1.00 0.00 H new ATOM 274 N PRO A 130 20.026 4.165 7.275 1.00 0.00 N ATOM 275 CA PRO A 130 21.301 3.410 7.298 1.00 0.00 C ATOM 276 C PRO A 130 21.903 3.370 8.708 1.00 0.00 C ATOM 277 O PRO A 130 22.699 2.509 9.023 1.00 0.00 O ATOM 278 CB PRO A 130 22.200 4.206 6.360 1.00 0.00 C ATOM 279 CG PRO A 130 21.655 5.602 6.372 1.00 0.00 C ATOM 280 CD PRO A 130 20.200 5.529 6.768 1.00 0.00 C ATOM 0 HA PRO A 130 21.175 2.369 7.000 1.00 0.00 H new ATOM 0 HB2 PRO A 130 23.236 4.186 6.699 1.00 0.00 H new ATOM 0 HB3 PRO A 130 22.186 3.788 5.354 1.00 0.00 H new ATOM 0 HG2 PRO A 130 22.211 6.223 7.075 1.00 0.00 H new ATOM 0 HG3 PRO A 130 21.760 6.061 5.389 1.00 0.00 H new ATOM 0 HD2 PRO A 130 19.958 6.270 7.530 1.00 0.00 H new ATOM 0 HD3 PRO A 130 19.547 5.723 5.917 1.00 0.00 H new ATOM 288 N VAL A 131 21.546 4.297 9.555 1.00 0.00 N ATOM 289 CA VAL A 131 22.125 4.304 10.931 1.00 0.00 C ATOM 290 C VAL A 131 21.355 3.357 11.854 1.00 0.00 C ATOM 291 O VAL A 131 21.854 2.319 12.243 1.00 0.00 O ATOM 292 CB VAL A 131 22.011 5.755 11.408 1.00 0.00 C ATOM 293 CG1 VAL A 131 22.079 5.811 12.938 1.00 0.00 C ATOM 294 CG2 VAL A 131 23.174 6.562 10.822 1.00 0.00 C ATOM 0 H VAL A 131 20.883 5.046 9.357 1.00 0.00 H new ATOM 0 HA VAL A 131 23.158 3.957 10.939 1.00 0.00 H new ATOM 0 HB VAL A 131 21.059 6.171 11.078 1.00 0.00 H new ATOM 0 HG11 VAL A 131 21.997 6.847 13.268 1.00 0.00 H new ATOM 0 HG12 VAL A 131 21.259 5.230 13.360 1.00 0.00 H new ATOM 0 HG13 VAL A 131 23.029 5.397 13.275 1.00 0.00 H new ATOM 0 HG21 VAL A 131 23.103 7.597 11.155 1.00 0.00 H new ATOM 0 HG22 VAL A 131 24.119 6.136 11.160 1.00 0.00 H new ATOM 0 HG23 VAL A 131 23.129 6.527 9.733 1.00 0.00 H new ATOM 304 N CYS A 132 20.155 3.704 12.222 1.00 0.00 N ATOM 305 CA CYS A 132 19.386 2.809 13.134 1.00 0.00 C ATOM 306 C CYS A 132 18.610 1.757 12.328 1.00 0.00 C ATOM 307 O CYS A 132 17.728 1.092 12.836 1.00 0.00 O ATOM 308 CB CYS A 132 18.456 3.733 13.925 1.00 0.00 C ATOM 309 SG CYS A 132 17.086 4.274 12.882 1.00 0.00 S ATOM 0 H CYS A 132 19.676 4.558 11.936 1.00 0.00 H new ATOM 0 HA CYS A 132 20.034 2.246 13.806 1.00 0.00 H new ATOM 0 HB2 CYS A 132 18.072 3.211 14.802 1.00 0.00 H new ATOM 0 HB3 CYS A 132 19.012 4.598 14.287 1.00 0.00 H new ATOM 0 HG CYS A 132 16.261 4.990 13.586 1.00 0.00 H new ATOM 314 N SER A 133 18.962 1.589 11.079 1.00 0.00 N ATOM 315 CA SER A 133 18.294 0.564 10.213 1.00 0.00 C ATOM 316 C SER A 133 16.769 0.627 10.321 1.00 0.00 C ATOM 317 O SER A 133 16.090 -0.368 10.162 1.00 0.00 O ATOM 318 CB SER A 133 18.809 -0.789 10.711 1.00 0.00 C ATOM 319 OG SER A 133 18.933 -0.764 12.127 1.00 0.00 O ATOM 0 H SER A 133 19.694 2.125 10.614 1.00 0.00 H new ATOM 0 HA SER A 133 18.526 0.735 9.162 1.00 0.00 H new ATOM 0 HB2 SER A 133 18.125 -1.582 10.410 1.00 0.00 H new ATOM 0 HB3 SER A 133 19.774 -1.011 10.256 1.00 0.00 H new ATOM 0 HG SER A 133 18.106 -0.417 12.522 1.00 0.00 H new ATOM 325 N SER A 134 16.223 1.779 10.567 1.00 0.00 N ATOM 326 CA SER A 134 14.741 1.886 10.656 1.00 0.00 C ATOM 327 C SER A 134 14.155 2.061 9.253 1.00 0.00 C ATOM 328 O SER A 134 14.869 2.039 8.270 1.00 0.00 O ATOM 329 CB SER A 134 14.484 3.128 11.500 1.00 0.00 C ATOM 330 OG SER A 134 14.750 2.832 12.864 1.00 0.00 O ATOM 0 H SER A 134 16.734 2.650 10.710 1.00 0.00 H new ATOM 0 HA SER A 134 14.282 0.999 11.093 1.00 0.00 H new ATOM 0 HB2 SER A 134 15.118 3.948 11.163 1.00 0.00 H new ATOM 0 HB3 SER A 134 13.451 3.455 11.382 1.00 0.00 H new ATOM 0 HG SER A 134 15.152 3.614 13.296 1.00 0.00 H new ATOM 336 N THR A 135 12.867 2.240 9.144 1.00 0.00 N ATOM 337 CA THR A 135 12.261 2.420 7.793 1.00 0.00 C ATOM 338 C THR A 135 11.059 3.361 7.858 1.00 0.00 C ATOM 339 O THR A 135 10.513 3.622 8.912 1.00 0.00 O ATOM 340 CB THR A 135 11.822 1.024 7.353 1.00 0.00 C ATOM 341 OG1 THR A 135 12.810 0.075 7.733 1.00 0.00 O ATOM 342 CG2 THR A 135 11.649 1.007 5.834 1.00 0.00 C ATOM 0 H THR A 135 12.212 2.269 9.925 1.00 0.00 H new ATOM 0 HA THR A 135 12.969 2.864 7.093 1.00 0.00 H new ATOM 0 HB THR A 135 10.876 0.768 7.830 1.00 0.00 H new ATOM 0 HG1 THR A 135 12.528 -0.821 7.452 1.00 0.00 H new ATOM 0 HG21 THR A 135 11.336 0.013 5.515 1.00 0.00 H new ATOM 0 HG22 THR A 135 10.892 1.736 5.546 1.00 0.00 H new ATOM 0 HG23 THR A 135 12.596 1.260 5.357 1.00 0.00 H new ATOM 350 N PHE A 136 10.644 3.870 6.731 1.00 0.00 N ATOM 351 CA PHE A 136 9.478 4.796 6.710 1.00 0.00 C ATOM 352 C PHE A 136 8.703 4.630 5.400 1.00 0.00 C ATOM 353 O PHE A 136 9.088 3.878 4.528 1.00 0.00 O ATOM 354 CB PHE A 136 10.087 6.195 6.801 1.00 0.00 C ATOM 355 CG PHE A 136 11.021 6.262 7.984 1.00 0.00 C ATOM 356 CD1 PHE A 136 10.510 6.169 9.285 1.00 0.00 C ATOM 357 CD2 PHE A 136 12.397 6.417 7.783 1.00 0.00 C ATOM 358 CE1 PHE A 136 11.375 6.233 10.383 1.00 0.00 C ATOM 359 CE2 PHE A 136 13.263 6.481 8.881 1.00 0.00 C ATOM 360 CZ PHE A 136 12.751 6.389 10.182 1.00 0.00 C ATOM 0 H PHE A 136 11.064 3.683 5.821 1.00 0.00 H new ATOM 0 HA PHE A 136 8.777 4.604 7.522 1.00 0.00 H new ATOM 0 HB2 PHE A 136 10.628 6.428 5.884 1.00 0.00 H new ATOM 0 HB3 PHE A 136 9.298 6.940 6.904 1.00 0.00 H new ATOM 0 HD1 PHE A 136 9.448 6.048 9.441 1.00 0.00 H new ATOM 0 HD2 PHE A 136 12.791 6.487 6.780 1.00 0.00 H new ATOM 0 HE1 PHE A 136 10.981 6.162 11.386 1.00 0.00 H new ATOM 0 HE2 PHE A 136 14.325 6.601 8.725 1.00 0.00 H new ATOM 0 HZ PHE A 136 13.418 6.438 11.030 1.00 0.00 H new ATOM 370 N THR A 137 7.611 5.328 5.258 1.00 0.00 N ATOM 371 CA THR A 137 6.807 5.214 4.006 1.00 0.00 C ATOM 372 C THR A 137 6.393 6.604 3.518 1.00 0.00 C ATOM 373 O THR A 137 6.951 7.605 3.919 1.00 0.00 O ATOM 374 CB THR A 137 5.577 4.394 4.399 1.00 0.00 C ATOM 375 OG1 THR A 137 5.343 4.534 5.794 1.00 0.00 O ATOM 376 CG2 THR A 137 5.813 2.922 4.066 1.00 0.00 C ATOM 0 H THR A 137 7.239 5.973 5.955 1.00 0.00 H new ATOM 0 HA THR A 137 7.366 4.746 3.196 1.00 0.00 H new ATOM 0 HB THR A 137 4.709 4.754 3.846 1.00 0.00 H new ATOM 0 HG1 THR A 137 4.554 4.011 6.048 1.00 0.00 H new ATOM 0 HG21 THR A 137 4.935 2.340 4.347 1.00 0.00 H new ATOM 0 HG22 THR A 137 5.992 2.815 2.996 1.00 0.00 H new ATOM 0 HG23 THR A 137 6.681 2.559 4.617 1.00 0.00 H new ATOM 384 N ASP A 138 5.416 6.674 2.655 1.00 0.00 N ATOM 385 CA ASP A 138 4.967 8.003 2.147 1.00 0.00 C ATOM 386 C ASP A 138 4.425 8.843 3.305 1.00 0.00 C ATOM 387 O ASP A 138 4.754 10.002 3.450 1.00 0.00 O ATOM 388 CB ASP A 138 3.861 7.694 1.139 1.00 0.00 C ATOM 389 CG ASP A 138 2.873 6.700 1.752 1.00 0.00 C ATOM 390 OD1 ASP A 138 3.095 5.509 1.608 1.00 0.00 O ATOM 391 OD2 ASP A 138 1.911 7.147 2.355 1.00 0.00 O ATOM 0 H ASP A 138 4.910 5.871 2.280 1.00 0.00 H new ATOM 0 HA ASP A 138 5.778 8.570 1.690 1.00 0.00 H new ATOM 0 HB2 ASP A 138 3.343 8.611 0.859 1.00 0.00 H new ATOM 0 HB3 ASP A 138 4.291 7.280 0.227 1.00 0.00 H new ATOM 396 N LEU A 139 3.604 8.262 4.137 1.00 0.00 N ATOM 397 CA LEU A 139 3.054 9.026 5.290 1.00 0.00 C ATOM 398 C LEU A 139 4.205 9.621 6.099 1.00 0.00 C ATOM 399 O LEU A 139 4.138 10.740 6.569 1.00 0.00 O ATOM 400 CB LEU A 139 2.288 7.996 6.119 1.00 0.00 C ATOM 401 CG LEU A 139 0.844 7.917 5.622 1.00 0.00 C ATOM 402 CD1 LEU A 139 0.048 6.967 6.518 1.00 0.00 C ATOM 403 CD2 LEU A 139 0.214 9.310 5.670 1.00 0.00 C ATOM 0 H LEU A 139 3.292 7.294 4.068 1.00 0.00 H new ATOM 0 HA LEU A 139 2.411 9.851 4.982 1.00 0.00 H new ATOM 0 HB2 LEU A 139 2.766 7.020 6.038 1.00 0.00 H new ATOM 0 HB3 LEU A 139 2.307 8.274 7.173 1.00 0.00 H new ATOM 0 HG LEU A 139 0.831 7.546 4.597 1.00 0.00 H new ATOM 0 HD11 LEU A 139 -0.981 6.910 6.164 1.00 0.00 H new ATOM 0 HD12 LEU A 139 0.498 5.975 6.486 1.00 0.00 H new ATOM 0 HD13 LEU A 139 0.060 7.338 7.543 1.00 0.00 H new ATOM 0 HD21 LEU A 139 -0.816 9.256 5.316 1.00 0.00 H new ATOM 0 HD22 LEU A 139 0.226 9.680 6.695 1.00 0.00 H new ATOM 0 HD23 LEU A 139 0.782 9.988 5.033 1.00 0.00 H new ATOM 415 N GLU A 140 5.268 8.882 6.250 1.00 0.00 N ATOM 416 CA GLU A 140 6.438 9.398 7.014 1.00 0.00 C ATOM 417 C GLU A 140 7.286 10.293 6.106 1.00 0.00 C ATOM 418 O GLU A 140 8.171 10.994 6.555 1.00 0.00 O ATOM 419 CB GLU A 140 7.220 8.153 7.426 1.00 0.00 C ATOM 420 CG GLU A 140 6.275 7.158 8.103 1.00 0.00 C ATOM 421 CD GLU A 140 5.522 7.856 9.236 1.00 0.00 C ATOM 422 OE1 GLU A 140 6.035 7.872 10.342 1.00 0.00 O ATOM 423 OE2 GLU A 140 4.444 8.365 8.978 1.00 0.00 O ATOM 0 H GLU A 140 5.377 7.939 5.876 1.00 0.00 H new ATOM 0 HA GLU A 140 6.148 9.995 7.879 1.00 0.00 H new ATOM 0 HB2 GLU A 140 7.682 7.695 6.552 1.00 0.00 H new ATOM 0 HB3 GLU A 140 8.027 8.426 8.107 1.00 0.00 H new ATOM 0 HG2 GLU A 140 5.569 6.759 7.375 1.00 0.00 H new ATOM 0 HG3 GLU A 140 6.841 6.313 8.495 1.00 0.00 H new ATOM 430 N ALA A 141 7.016 10.269 4.828 1.00 0.00 N ATOM 431 CA ALA A 141 7.796 11.115 3.882 1.00 0.00 C ATOM 432 C ALA A 141 7.325 12.568 3.972 1.00 0.00 C ATOM 433 O ALA A 141 8.099 13.493 3.834 1.00 0.00 O ATOM 434 CB ALA A 141 7.495 10.537 2.498 1.00 0.00 C ATOM 0 H ALA A 141 6.287 9.699 4.399 1.00 0.00 H new ATOM 0 HA ALA A 141 8.864 11.111 4.101 1.00 0.00 H new ATOM 0 HB1 ALA A 141 8.034 11.107 1.741 1.00 0.00 H new ATOM 0 HB2 ALA A 141 7.812 9.495 2.462 1.00 0.00 H new ATOM 0 HB3 ALA A 141 6.424 10.597 2.304 1.00 0.00 H new ATOM 440 N ASN A 142 6.058 12.772 4.207 1.00 0.00 N ATOM 441 CA ASN A 142 5.532 14.162 4.310 1.00 0.00 C ATOM 442 C ASN A 142 5.838 14.736 5.696 1.00 0.00 C ATOM 443 O ASN A 142 5.629 15.905 5.955 1.00 0.00 O ATOM 444 CB ASN A 142 4.023 14.029 4.103 1.00 0.00 C ATOM 445 CG ASN A 142 3.753 13.219 2.834 1.00 0.00 C ATOM 446 OD1 ASN A 142 4.651 12.970 2.056 1.00 0.00 O ATOM 447 ND2 ASN A 142 2.543 12.793 2.593 1.00 0.00 N ATOM 0 H ASN A 142 5.364 12.035 4.332 1.00 0.00 H new ATOM 0 HA ASN A 142 5.984 14.834 3.580 1.00 0.00 H new ATOM 0 HB2 ASN A 142 3.569 13.539 4.964 1.00 0.00 H new ATOM 0 HB3 ASN A 142 3.568 15.016 4.021 1.00 0.00 H new ATOM 0 HD21 ASN A 142 2.352 12.251 1.751 1.00 0.00 H new ATOM 0 HD22 ASN A 142 1.789 13.002 3.247 1.00 0.00 H new ATOM 454 N GLN A 143 6.334 13.923 6.588 1.00 0.00 N ATOM 455 CA GLN A 143 6.656 14.420 7.956 1.00 0.00 C ATOM 456 C GLN A 143 8.173 14.401 8.178 1.00 0.00 C ATOM 457 O GLN A 143 8.698 15.118 9.008 1.00 0.00 O ATOM 458 CB GLN A 143 5.952 13.448 8.909 1.00 0.00 C ATOM 459 CG GLN A 143 6.747 12.144 9.000 1.00 0.00 C ATOM 460 CD GLN A 143 6.032 11.173 9.941 1.00 0.00 C ATOM 461 OE1 GLN A 143 4.776 10.883 9.732 1.00 0.00 O flip ATOM 462 NE2 GLN A 143 6.621 10.672 10.878 1.00 0.00 N flip ATOM 0 H GLN A 143 6.530 12.935 6.428 1.00 0.00 H new ATOM 0 HA GLN A 143 6.327 15.447 8.114 1.00 0.00 H new ATOM 0 HB2 GLN A 143 5.859 13.897 9.898 1.00 0.00 H new ATOM 0 HB3 GLN A 143 4.942 13.245 8.555 1.00 0.00 H new ATOM 0 HG2 GLN A 143 6.849 11.699 8.010 1.00 0.00 H new ATOM 0 HG3 GLN A 143 7.754 12.345 9.365 1.00 0.00 H new ATOM 0 HE21 GLN A 143 7.602 10.897 11.043 1.00 0.00 H new ATOM 0 HE22 GLN A 143 6.134 10.026 11.500 1.00 0.00 H new ATOM 471 N LEU A 144 8.879 13.589 7.439 1.00 0.00 N ATOM 472 CA LEU A 144 10.361 13.527 7.603 1.00 0.00 C ATOM 473 C LEU A 144 11.047 14.372 6.526 1.00 0.00 C ATOM 474 O LEU A 144 12.117 14.909 6.732 1.00 0.00 O ATOM 475 CB LEU A 144 10.720 12.050 7.424 1.00 0.00 C ATOM 476 CG LEU A 144 10.182 11.242 8.605 1.00 0.00 C ATOM 477 CD1 LEU A 144 10.536 9.765 8.417 1.00 0.00 C ATOM 478 CD2 LEU A 144 10.809 11.756 9.902 1.00 0.00 C ATOM 0 H LEU A 144 8.495 12.966 6.729 1.00 0.00 H new ATOM 0 HA LEU A 144 10.684 13.913 8.570 1.00 0.00 H new ATOM 0 HB2 LEU A 144 10.299 11.674 6.492 1.00 0.00 H new ATOM 0 HB3 LEU A 144 11.802 11.935 7.355 1.00 0.00 H new ATOM 0 HG LEU A 144 9.099 11.352 8.657 1.00 0.00 H new ATOM 0 HD11 LEU A 144 10.152 9.189 9.259 1.00 0.00 H new ATOM 0 HD12 LEU A 144 10.089 9.398 7.493 1.00 0.00 H new ATOM 0 HD13 LEU A 144 11.619 9.654 8.365 1.00 0.00 H new ATOM 0 HD21 LEU A 144 10.426 11.180 10.744 1.00 0.00 H new ATOM 0 HD22 LEU A 144 11.892 11.647 9.851 1.00 0.00 H new ATOM 0 HD23 LEU A 144 10.556 12.808 10.036 1.00 0.00 H new ATOM 490 N PHE A 145 10.439 14.488 5.378 1.00 0.00 N ATOM 491 CA PHE A 145 11.054 15.291 4.282 1.00 0.00 C ATOM 492 C PHE A 145 11.312 16.727 4.747 1.00 0.00 C ATOM 493 O PHE A 145 10.433 17.393 5.257 1.00 0.00 O ATOM 494 CB PHE A 145 10.022 15.271 3.154 1.00 0.00 C ATOM 495 CG PHE A 145 10.565 16.016 1.959 1.00 0.00 C ATOM 496 CD1 PHE A 145 10.446 17.410 1.889 1.00 0.00 C ATOM 497 CD2 PHE A 145 11.185 15.314 0.919 1.00 0.00 C ATOM 498 CE1 PHE A 145 10.949 18.101 0.780 1.00 0.00 C ATOM 499 CE2 PHE A 145 11.688 16.006 -0.190 1.00 0.00 C ATOM 500 CZ PHE A 145 11.570 17.398 -0.260 1.00 0.00 C ATOM 0 H PHE A 145 9.541 14.061 5.150 1.00 0.00 H new ATOM 0 HA PHE A 145 12.016 14.887 3.967 1.00 0.00 H new ATOM 0 HB2 PHE A 145 9.789 14.242 2.879 1.00 0.00 H new ATOM 0 HB3 PHE A 145 9.092 15.730 3.490 1.00 0.00 H new ATOM 0 HD1 PHE A 145 9.966 17.952 2.691 1.00 0.00 H new ATOM 0 HD2 PHE A 145 11.276 14.239 0.972 1.00 0.00 H new ATOM 0 HE1 PHE A 145 10.858 19.176 0.727 1.00 0.00 H new ATOM 0 HE2 PHE A 145 12.167 15.464 -0.992 1.00 0.00 H new ATOM 0 HZ PHE A 145 11.958 17.931 -1.116 1.00 0.00 H new ATOM 510 N ASP A 146 12.511 17.209 4.567 1.00 0.00 N ATOM 511 CA ASP A 146 12.829 18.603 4.990 1.00 0.00 C ATOM 512 C ASP A 146 13.189 19.450 3.766 1.00 0.00 C ATOM 513 O ASP A 146 13.905 19.005 2.891 1.00 0.00 O ATOM 514 CB ASP A 146 14.031 18.471 5.925 1.00 0.00 C ATOM 515 CG ASP A 146 13.544 18.410 7.376 1.00 0.00 C ATOM 516 OD1 ASP A 146 13.093 19.429 7.873 1.00 0.00 O ATOM 517 OD2 ASP A 146 13.630 17.344 7.964 1.00 0.00 O ATOM 0 H ASP A 146 13.286 16.697 4.145 1.00 0.00 H new ATOM 0 HA ASP A 146 11.987 19.091 5.481 1.00 0.00 H new ATOM 0 HB2 ASP A 146 14.597 17.572 5.682 1.00 0.00 H new ATOM 0 HB3 ASP A 146 14.704 19.318 5.791 1.00 0.00 H new ATOM 522 N PRO A 147 12.673 20.649 3.746 1.00 0.00 N ATOM 523 CA PRO A 147 12.936 21.575 2.619 1.00 0.00 C ATOM 524 C PRO A 147 14.366 22.125 2.690 1.00 0.00 C ATOM 525 O PRO A 147 14.773 22.926 1.873 1.00 0.00 O ATOM 526 CB PRO A 147 11.916 22.690 2.827 1.00 0.00 C ATOM 527 CG PRO A 147 11.602 22.663 4.289 1.00 0.00 C ATOM 528 CD PRO A 147 11.804 21.247 4.765 1.00 0.00 C ATOM 0 HA PRO A 147 12.847 21.095 1.645 1.00 0.00 H new ATOM 0 HB2 PRO A 147 12.322 23.657 2.529 1.00 0.00 H new ATOM 0 HB3 PRO A 147 11.021 22.522 2.228 1.00 0.00 H new ATOM 0 HG2 PRO A 147 12.251 23.348 4.834 1.00 0.00 H new ATOM 0 HG3 PRO A 147 10.576 22.986 4.468 1.00 0.00 H new ATOM 0 HD2 PRO A 147 12.268 21.220 5.751 1.00 0.00 H new ATOM 0 HD3 PRO A 147 10.857 20.714 4.844 1.00 0.00 H new ATOM 536 N MET A 148 15.130 21.704 3.662 1.00 0.00 N ATOM 537 CA MET A 148 16.528 22.208 3.781 1.00 0.00 C ATOM 538 C MET A 148 17.507 21.228 3.127 1.00 0.00 C ATOM 539 O MET A 148 18.622 21.581 2.794 1.00 0.00 O ATOM 540 CB MET A 148 16.787 22.300 5.284 1.00 0.00 C ATOM 541 CG MET A 148 16.906 20.893 5.871 1.00 0.00 C ATOM 542 SD MET A 148 16.290 20.893 7.572 1.00 0.00 S ATOM 543 CE MET A 148 16.727 19.185 7.974 1.00 0.00 C ATOM 0 H MET A 148 14.847 21.034 4.377 1.00 0.00 H new ATOM 0 HA MET A 148 16.663 23.168 3.282 1.00 0.00 H new ATOM 0 HB2 MET A 148 17.702 22.862 5.472 1.00 0.00 H new ATOM 0 HB3 MET A 148 15.975 22.841 5.771 1.00 0.00 H new ATOM 0 HG2 MET A 148 16.337 20.186 5.267 1.00 0.00 H new ATOM 0 HG3 MET A 148 17.945 20.566 5.850 1.00 0.00 H new ATOM 0 HE1 MET A 148 16.044 18.803 8.733 1.00 0.00 H new ATOM 0 HE2 MET A 148 16.654 18.570 7.077 1.00 0.00 H new ATOM 0 HE3 MET A 148 17.748 19.151 8.355 1.00 0.00 H new ATOM 553 N THR A 149 17.103 20.001 2.941 1.00 0.00 N ATOM 554 CA THR A 149 18.015 19.004 2.309 1.00 0.00 C ATOM 555 C THR A 149 17.311 18.303 1.144 1.00 0.00 C ATOM 556 O THR A 149 17.894 17.493 0.451 1.00 0.00 O ATOM 557 CB THR A 149 18.339 18.003 3.420 1.00 0.00 C ATOM 558 OG1 THR A 149 19.173 16.977 2.900 1.00 0.00 O ATOM 559 CG2 THR A 149 17.045 17.391 3.953 1.00 0.00 C ATOM 0 H THR A 149 16.182 19.646 3.199 1.00 0.00 H new ATOM 0 HA THR A 149 18.914 19.468 1.902 1.00 0.00 H new ATOM 0 HB THR A 149 18.855 18.515 4.232 1.00 0.00 H new ATOM 0 HG1 THR A 149 18.653 16.407 2.296 1.00 0.00 H new ATOM 0 HG21 THR A 149 17.278 16.678 4.744 1.00 0.00 H new ATOM 0 HG22 THR A 149 16.407 18.180 4.352 1.00 0.00 H new ATOM 0 HG23 THR A 149 16.525 16.878 3.144 1.00 0.00 H new ATOM 567 N GLY A 150 16.062 18.609 0.922 1.00 0.00 N ATOM 568 CA GLY A 150 15.326 17.958 -0.198 1.00 0.00 C ATOM 569 C GLY A 150 15.337 16.440 -0.007 1.00 0.00 C ATOM 570 O GLY A 150 15.368 15.685 -0.960 1.00 0.00 O ATOM 0 H GLY A 150 15.520 19.280 1.467 1.00 0.00 H new ATOM 0 HA2 GLY A 150 14.299 18.323 -0.232 1.00 0.00 H new ATOM 0 HA3 GLY A 150 15.789 18.218 -1.150 1.00 0.00 H new ATOM 574 N THR A 151 15.314 15.984 1.215 1.00 0.00 N ATOM 575 CA THR A 151 15.325 14.513 1.464 1.00 0.00 C ATOM 576 C THR A 151 14.560 14.188 2.751 1.00 0.00 C ATOM 577 O THR A 151 14.175 15.069 3.493 1.00 0.00 O ATOM 578 CB THR A 151 16.804 14.141 1.608 1.00 0.00 C ATOM 579 OG1 THR A 151 17.613 15.256 1.257 1.00 0.00 O ATOM 580 CG2 THR A 151 17.127 12.964 0.686 1.00 0.00 C ATOM 0 H THR A 151 15.288 16.566 2.053 1.00 0.00 H new ATOM 0 HA THR A 151 14.844 13.956 0.660 1.00 0.00 H new ATOM 0 HB THR A 151 17.007 13.859 2.641 1.00 0.00 H new ATOM 0 HG1 THR A 151 17.682 15.316 0.281 1.00 0.00 H new ATOM 0 HG21 THR A 151 18.179 12.700 0.789 1.00 0.00 H new ATOM 0 HG22 THR A 151 16.510 12.108 0.959 1.00 0.00 H new ATOM 0 HG23 THR A 151 16.923 13.244 -0.347 1.00 0.00 H new ATOM 588 N PHE A 152 14.337 12.930 3.023 1.00 0.00 N ATOM 589 CA PHE A 152 13.597 12.557 4.264 1.00 0.00 C ATOM 590 C PHE A 152 14.583 12.235 5.388 1.00 0.00 C ATOM 591 O PHE A 152 15.550 11.524 5.193 1.00 0.00 O ATOM 592 CB PHE A 152 12.786 11.317 3.887 1.00 0.00 C ATOM 593 CG PHE A 152 12.001 11.594 2.627 1.00 0.00 C ATOM 594 CD1 PHE A 152 12.586 11.376 1.374 1.00 0.00 C ATOM 595 CD2 PHE A 152 10.687 12.069 2.714 1.00 0.00 C ATOM 596 CE1 PHE A 152 11.856 11.634 0.207 1.00 0.00 C ATOM 597 CE2 PHE A 152 9.958 12.327 1.547 1.00 0.00 C ATOM 598 CZ PHE A 152 10.542 12.110 0.293 1.00 0.00 C ATOM 0 H PHE A 152 14.634 12.146 2.442 1.00 0.00 H new ATOM 0 HA PHE A 152 12.959 13.364 4.623 1.00 0.00 H new ATOM 0 HB2 PHE A 152 13.451 10.467 3.735 1.00 0.00 H new ATOM 0 HB3 PHE A 152 12.109 11.051 4.699 1.00 0.00 H new ATOM 0 HD1 PHE A 152 13.600 11.009 1.307 1.00 0.00 H new ATOM 0 HD2 PHE A 152 10.236 12.236 3.681 1.00 0.00 H new ATOM 0 HE1 PHE A 152 12.307 11.466 -0.760 1.00 0.00 H new ATOM 0 HE2 PHE A 152 8.944 12.694 1.614 1.00 0.00 H new ATOM 0 HZ PHE A 152 9.979 12.310 -0.607 1.00 0.00 H new ATOM 608 N ARG A 153 14.352 12.755 6.563 1.00 0.00 N ATOM 609 CA ARG A 153 15.285 12.477 7.692 1.00 0.00 C ATOM 610 C ARG A 153 14.656 11.502 8.688 1.00 0.00 C ATOM 611 O ARG A 153 13.467 11.524 8.935 1.00 0.00 O ATOM 612 CB ARG A 153 15.524 13.830 8.361 1.00 0.00 C ATOM 613 CG ARG A 153 16.714 14.526 7.699 1.00 0.00 C ATOM 614 CD ARG A 153 17.290 15.572 8.655 1.00 0.00 C ATOM 615 NE ARG A 153 18.749 15.279 8.711 1.00 0.00 N ATOM 616 CZ ARG A 153 19.585 16.197 9.112 1.00 0.00 C ATOM 617 NH1 ARG A 153 19.178 17.144 9.913 1.00 0.00 N ATOM 618 NH2 ARG A 153 20.826 16.168 8.712 1.00 0.00 N ATOM 0 H ARG A 153 13.561 13.358 6.789 1.00 0.00 H new ATOM 0 HA ARG A 153 16.211 12.020 7.343 1.00 0.00 H new ATOM 0 HB2 ARG A 153 14.633 14.452 8.276 1.00 0.00 H new ATOM 0 HB3 ARG A 153 15.716 13.692 9.425 1.00 0.00 H new ATOM 0 HG2 ARG A 153 17.479 13.794 7.440 1.00 0.00 H new ATOM 0 HG3 ARG A 153 16.400 15.001 6.770 1.00 0.00 H new ATOM 0 HD2 ARG A 153 17.104 16.583 8.293 1.00 0.00 H new ATOM 0 HD3 ARG A 153 16.834 15.498 9.642 1.00 0.00 H new ATOM 0 HE ARG A 153 19.095 14.360 8.436 1.00 0.00 H new ATOM 0 HH11 ARG A 153 18.207 17.166 10.225 1.00 0.00 H new ATOM 0 HH12 ARG A 153 19.831 17.862 10.227 1.00 0.00 H new ATOM 0 HH21 ARG A 153 21.143 15.428 8.086 1.00 0.00 H new ATOM 0 HH22 ARG A 153 21.480 16.886 9.025 1.00 0.00 H new ATOM 632 N CYS A 154 15.457 10.654 9.270 1.00 0.00 N ATOM 633 CA CYS A 154 14.929 9.679 10.266 1.00 0.00 C ATOM 634 C CYS A 154 14.064 10.405 11.303 1.00 0.00 C ATOM 635 O CYS A 154 13.954 11.615 11.289 1.00 0.00 O ATOM 636 CB CYS A 154 16.184 9.104 10.915 1.00 0.00 C ATOM 637 SG CYS A 154 15.772 7.631 11.873 1.00 0.00 S ATOM 0 H CYS A 154 16.461 10.594 9.098 1.00 0.00 H new ATOM 0 HA CYS A 154 14.300 8.908 9.821 1.00 0.00 H new ATOM 0 HB2 CYS A 154 16.917 8.854 10.148 1.00 0.00 H new ATOM 0 HB3 CYS A 154 16.642 9.851 11.563 1.00 0.00 H new ATOM 0 HG CYS A 154 16.510 6.636 11.479 1.00 0.00 H new ATOM 642 N THR A 155 13.447 9.684 12.202 1.00 0.00 N ATOM 643 CA THR A 155 12.593 10.352 13.229 1.00 0.00 C ATOM 644 C THR A 155 13.138 10.102 14.638 1.00 0.00 C ATOM 645 O THR A 155 12.823 10.819 15.567 1.00 0.00 O ATOM 646 CB THR A 155 11.204 9.723 13.075 1.00 0.00 C ATOM 647 OG1 THR A 155 11.275 8.625 12.175 1.00 0.00 O ATOM 648 CG2 THR A 155 10.227 10.768 12.533 1.00 0.00 C ATOM 0 H THR A 155 13.497 8.667 12.270 1.00 0.00 H new ATOM 0 HA THR A 155 12.570 11.433 13.089 1.00 0.00 H new ATOM 0 HB THR A 155 10.856 9.371 14.046 1.00 0.00 H new ATOM 0 HG1 THR A 155 11.448 7.801 12.677 1.00 0.00 H new ATOM 0 HG21 THR A 155 9.239 10.320 12.424 1.00 0.00 H new ATOM 0 HG22 THR A 155 10.170 11.607 13.226 1.00 0.00 H new ATOM 0 HG23 THR A 155 10.574 11.122 11.562 1.00 0.00 H new ATOM 656 N PHE A 156 13.954 9.097 14.813 1.00 0.00 N ATOM 657 CA PHE A 156 14.505 8.827 16.176 1.00 0.00 C ATOM 658 C PHE A 156 16.014 9.066 16.191 1.00 0.00 C ATOM 659 O PHE A 156 16.559 9.587 17.144 1.00 0.00 O ATOM 660 CB PHE A 156 14.187 7.360 16.515 1.00 0.00 C ATOM 661 CG PHE A 156 13.679 6.612 15.304 1.00 0.00 C ATOM 662 CD1 PHE A 156 14.566 6.235 14.291 1.00 0.00 C ATOM 663 CD2 PHE A 156 12.318 6.299 15.196 1.00 0.00 C ATOM 664 CE1 PHE A 156 14.094 5.547 13.171 1.00 0.00 C ATOM 665 CE2 PHE A 156 11.846 5.610 14.075 1.00 0.00 C ATOM 666 CZ PHE A 156 12.734 5.233 13.061 1.00 0.00 C ATOM 0 H PHE A 156 14.261 8.457 14.081 1.00 0.00 H new ATOM 0 HA PHE A 156 14.059 9.494 16.914 1.00 0.00 H new ATOM 0 HB2 PHE A 156 15.083 6.871 16.897 1.00 0.00 H new ATOM 0 HB3 PHE A 156 13.440 7.322 17.308 1.00 0.00 H new ATOM 0 HD1 PHE A 156 15.616 6.476 14.375 1.00 0.00 H new ATOM 0 HD2 PHE A 156 11.633 6.590 15.979 1.00 0.00 H new ATOM 0 HE1 PHE A 156 14.779 5.257 12.388 1.00 0.00 H new ATOM 0 HE2 PHE A 156 10.797 5.369 13.991 1.00 0.00 H new ATOM 0 HZ PHE A 156 12.371 4.700 12.195 1.00 0.00 H new ATOM 676 N CYS A 157 16.692 8.705 15.142 1.00 0.00 N ATOM 677 CA CYS A 157 18.164 8.930 15.101 1.00 0.00 C ATOM 678 C CYS A 157 18.487 9.973 14.014 1.00 0.00 C ATOM 679 O CYS A 157 19.606 10.100 13.558 1.00 0.00 O ATOM 680 CB CYS A 157 18.769 7.535 14.837 1.00 0.00 C ATOM 681 SG CYS A 157 19.309 7.344 13.120 1.00 0.00 S ATOM 0 H CYS A 157 16.294 8.265 14.312 1.00 0.00 H new ATOM 0 HA CYS A 157 18.583 9.339 16.020 1.00 0.00 H new ATOM 0 HB2 CYS A 157 19.617 7.375 15.503 1.00 0.00 H new ATOM 0 HB3 CYS A 157 18.030 6.769 15.072 1.00 0.00 H new ATOM 0 HG CYS A 157 18.276 7.394 12.332 1.00 0.00 H new ATOM 686 N HIS A 158 17.490 10.730 13.631 1.00 0.00 N ATOM 687 CA HIS A 158 17.655 11.809 12.604 1.00 0.00 C ATOM 688 C HIS A 158 18.757 11.504 11.585 1.00 0.00 C ATOM 689 O HIS A 158 19.420 12.401 11.100 1.00 0.00 O ATOM 690 CB HIS A 158 18.006 13.057 13.412 1.00 0.00 C ATOM 691 CG HIS A 158 16.739 13.676 13.932 1.00 0.00 C ATOM 692 ND1 HIS A 158 16.076 14.684 13.251 1.00 0.00 N ATOM 693 CD2 HIS A 158 15.993 13.430 15.057 1.00 0.00 C ATOM 694 CE1 HIS A 158 14.982 15.005 13.966 1.00 0.00 C ATOM 695 NE2 HIS A 158 14.883 14.270 15.077 1.00 0.00 N ATOM 0 H HIS A 158 16.542 10.644 13.997 1.00 0.00 H new ATOM 0 HA HIS A 158 16.747 11.919 12.010 1.00 0.00 H new ATOM 0 HB2 HIS A 158 18.665 12.796 14.240 1.00 0.00 H new ATOM 0 HB3 HIS A 158 18.545 13.770 12.788 1.00 0.00 H new ATOM 0 HD2 HIS A 158 16.231 12.696 15.813 1.00 0.00 H new ATOM 0 HE1 HIS A 158 14.271 15.764 13.677 1.00 0.00 H new ATOM 0 HE2 HIS A 158 14.152 14.315 15.787 1.00 0.00 H new ATOM 703 N THR A 159 18.949 10.268 11.223 1.00 0.00 N ATOM 704 CA THR A 159 19.993 9.963 10.206 1.00 0.00 C ATOM 705 C THR A 159 19.373 10.022 8.808 1.00 0.00 C ATOM 706 O THR A 159 18.277 9.545 8.587 1.00 0.00 O ATOM 707 CB THR A 159 20.470 8.546 10.521 1.00 0.00 C ATOM 708 OG1 THR A 159 21.288 8.577 11.683 1.00 0.00 O ATOM 709 CG2 THR A 159 21.275 7.999 9.337 1.00 0.00 C ATOM 0 H THR A 159 18.435 9.463 11.582 1.00 0.00 H new ATOM 0 HA THR A 159 20.819 10.674 10.231 1.00 0.00 H new ATOM 0 HB THR A 159 19.610 7.900 10.697 1.00 0.00 H new ATOM 0 HG1 THR A 159 20.800 8.184 12.437 1.00 0.00 H new ATOM 0 HG21 THR A 159 21.614 6.988 9.564 1.00 0.00 H new ATOM 0 HG22 THR A 159 20.646 7.980 8.447 1.00 0.00 H new ATOM 0 HG23 THR A 159 22.138 8.640 9.157 1.00 0.00 H new ATOM 717 N GLU A 160 20.059 10.602 7.863 1.00 0.00 N ATOM 718 CA GLU A 160 19.496 10.684 6.484 1.00 0.00 C ATOM 719 C GLU A 160 19.051 9.296 6.015 1.00 0.00 C ATOM 720 O GLU A 160 19.785 8.333 6.112 1.00 0.00 O ATOM 721 CB GLU A 160 20.643 11.201 5.615 1.00 0.00 C ATOM 722 CG GLU A 160 20.131 12.325 4.712 1.00 0.00 C ATOM 723 CD GLU A 160 21.216 12.703 3.702 1.00 0.00 C ATOM 724 OE1 GLU A 160 22.300 12.148 3.789 1.00 0.00 O ATOM 725 OE2 GLU A 160 20.945 13.540 2.858 1.00 0.00 O ATOM 0 H GLU A 160 20.981 11.021 7.984 1.00 0.00 H new ATOM 0 HA GLU A 160 18.623 11.334 6.432 1.00 0.00 H new ATOM 0 HB2 GLU A 160 21.454 11.567 6.244 1.00 0.00 H new ATOM 0 HB3 GLU A 160 21.049 10.390 5.010 1.00 0.00 H new ATOM 0 HG2 GLU A 160 19.229 12.004 4.190 1.00 0.00 H new ATOM 0 HG3 GLU A 160 19.860 13.193 5.313 1.00 0.00 H new ATOM 732 N VAL A 161 17.853 9.188 5.510 1.00 0.00 N ATOM 733 CA VAL A 161 17.360 7.861 5.036 1.00 0.00 C ATOM 734 C VAL A 161 17.515 7.748 3.517 1.00 0.00 C ATOM 735 O VAL A 161 18.089 8.604 2.874 1.00 0.00 O ATOM 736 CB VAL A 161 15.882 7.828 5.424 1.00 0.00 C ATOM 737 CG1 VAL A 161 15.743 7.998 6.937 1.00 0.00 C ATOM 738 CG2 VAL A 161 15.147 8.967 4.716 1.00 0.00 C ATOM 0 H VAL A 161 17.194 9.959 5.405 1.00 0.00 H new ATOM 0 HA VAL A 161 17.918 7.034 5.475 1.00 0.00 H new ATOM 0 HB VAL A 161 15.451 6.872 5.127 1.00 0.00 H new ATOM 0 HG11 VAL A 161 14.688 7.974 7.210 1.00 0.00 H new ATOM 0 HG12 VAL A 161 16.268 7.188 7.444 1.00 0.00 H new ATOM 0 HG13 VAL A 161 16.174 8.953 7.237 1.00 0.00 H new ATOM 0 HG21 VAL A 161 14.092 8.946 4.991 1.00 0.00 H new ATOM 0 HG22 VAL A 161 15.581 9.921 5.015 1.00 0.00 H new ATOM 0 HG23 VAL A 161 15.243 8.847 3.637 1.00 0.00 H new ATOM 748 N GLU A 162 16.999 6.697 2.939 1.00 0.00 N ATOM 749 CA GLU A 162 17.107 6.523 1.462 1.00 0.00 C ATOM 750 C GLU A 162 15.995 5.598 0.961 1.00 0.00 C ATOM 751 O GLU A 162 15.679 4.602 1.580 1.00 0.00 O ATOM 752 CB GLU A 162 18.480 5.887 1.233 1.00 0.00 C ATOM 753 CG GLU A 162 19.546 6.982 1.157 1.00 0.00 C ATOM 754 CD GLU A 162 20.663 6.540 0.212 1.00 0.00 C ATOM 755 OE1 GLU A 162 20.969 5.359 0.199 1.00 0.00 O ATOM 756 OE2 GLU A 162 21.195 7.390 -0.484 1.00 0.00 O ATOM 0 H GLU A 162 16.506 5.949 3.427 1.00 0.00 H new ATOM 0 HA GLU A 162 17.004 7.466 0.926 1.00 0.00 H new ATOM 0 HB2 GLU A 162 18.711 5.196 2.043 1.00 0.00 H new ATOM 0 HB3 GLU A 162 18.474 5.307 0.310 1.00 0.00 H new ATOM 0 HG2 GLU A 162 19.102 7.913 0.803 1.00 0.00 H new ATOM 0 HG3 GLU A 162 19.951 7.179 2.149 1.00 0.00 H new ATOM 763 N GLU A 163 15.398 5.918 -0.155 1.00 0.00 N ATOM 764 CA GLU A 163 14.307 5.053 -0.688 1.00 0.00 C ATOM 765 C GLU A 163 14.729 3.583 -0.639 1.00 0.00 C ATOM 766 O GLU A 163 15.788 3.215 -1.107 1.00 0.00 O ATOM 767 CB GLU A 163 14.107 5.509 -2.133 1.00 0.00 C ATOM 768 CG GLU A 163 12.632 5.364 -2.514 1.00 0.00 C ATOM 769 CD GLU A 163 12.131 6.674 -3.128 1.00 0.00 C ATOM 770 OE1 GLU A 163 12.301 7.704 -2.497 1.00 0.00 O ATOM 771 OE2 GLU A 163 11.588 6.624 -4.219 1.00 0.00 O ATOM 0 H GLU A 163 15.618 6.739 -0.719 1.00 0.00 H new ATOM 0 HA GLU A 163 13.389 5.139 -0.106 1.00 0.00 H new ATOM 0 HB2 GLU A 163 14.422 6.546 -2.245 1.00 0.00 H new ATOM 0 HB3 GLU A 163 14.727 4.913 -2.803 1.00 0.00 H new ATOM 0 HG2 GLU A 163 12.508 4.546 -3.224 1.00 0.00 H new ATOM 0 HG3 GLU A 163 12.041 5.114 -1.633 1.00 0.00 H new ATOM 778 N ASP A 164 13.908 2.740 -0.075 1.00 0.00 N ATOM 779 CA ASP A 164 14.263 1.293 0.005 1.00 0.00 C ATOM 780 C ASP A 164 13.652 0.533 -1.174 1.00 0.00 C ATOM 781 O ASP A 164 12.452 0.362 -1.261 1.00 0.00 O ATOM 782 CB ASP A 164 13.661 0.811 1.326 1.00 0.00 C ATOM 783 CG ASP A 164 14.369 -0.471 1.769 1.00 0.00 C ATOM 784 OD1 ASP A 164 14.435 -1.393 0.974 1.00 0.00 O ATOM 785 OD2 ASP A 164 14.832 -0.507 2.897 1.00 0.00 O ATOM 0 H ASP A 164 13.007 2.989 0.334 1.00 0.00 H new ATOM 0 HA ASP A 164 15.340 1.128 -0.036 1.00 0.00 H new ATOM 0 HB2 ASP A 164 13.768 1.581 2.090 1.00 0.00 H new ATOM 0 HB3 ASP A 164 12.593 0.627 1.206 1.00 0.00 H new