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 -152:sc= -2.07! USER MOD Set 1.2: A 132 CYS SG : rot 98:sc= -1.46! USER MOD Set 1.3: A 134 SER OG : rot -160:sc= 2.37 USER MOD Set 1.4: A 154 CYS SG : rot 126:sc= -6.73! USER MOD Set 1.5: A 157 CYS SG : rot -66:sc= -2.33! USER MOD Set 1.6: A 159 THR OG1 : rot 103:sc= -0.987! USER MOD Set 2.1: A 149 THR OG1 : rot -91:sc= 0.0874 USER MOD Set 2.2: A 151 THR OG1 : rot 180:sc= -0.152 USER MOD Single : A 126 SER OG : rot -22:sc= 0.58 USER MOD Single : A 128 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 133 SER OG : rot 49:sc= -0.592! USER MOD Single : A 135 THR OG1 : rot 180:sc= -1.28! USER MOD Single : A 137 THR OG1 : rot -144:sc= -3.1! USER MOD Single : A 142 ASN : amide:sc= -0.358 K(o=-0.36,f=-2.4!) USER MOD Single : A 143 GLN : amide:sc= -0.388 X(o=-0.39,f=0) USER MOD Single : A 148 MET CE :methyl 156:sc= -0.165 (180deg=-1.45) USER MOD Single : A 155 THR OG1 : rot 70:sc= -1.11 USER MOD Single : A 158 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 211 N SER A 126 8.685 4.195 0.324 1.00 0.00 N ATOM 212 CA SER A 126 9.230 3.305 1.389 1.00 0.00 C ATOM 213 C SER A 126 10.727 3.566 1.572 1.00 0.00 C ATOM 214 O SER A 126 11.556 2.958 0.924 1.00 0.00 O ATOM 215 CB SER A 126 8.991 1.886 0.878 1.00 0.00 C ATOM 216 OG SER A 126 9.371 1.812 -0.490 1.00 0.00 O ATOM 0 HA SER A 126 8.756 3.473 2.356 1.00 0.00 H new ATOM 0 HB2 SER A 126 9.567 1.173 1.467 1.00 0.00 H new ATOM 0 HB3 SER A 126 7.941 1.618 0.991 1.00 0.00 H new ATOM 0 HG SER A 126 9.365 2.711 -0.880 1.00 0.00 H new ATOM 222 N PHE A 127 11.081 4.469 2.446 1.00 0.00 N ATOM 223 CA PHE A 127 12.525 4.771 2.664 1.00 0.00 C ATOM 224 C PHE A 127 13.075 3.936 3.823 1.00 0.00 C ATOM 225 O PHE A 127 12.343 3.255 4.514 1.00 0.00 O ATOM 226 CB PHE A 127 12.570 6.260 3.010 1.00 0.00 C ATOM 227 CG PHE A 127 11.711 7.033 2.039 1.00 0.00 C ATOM 228 CD1 PHE A 127 12.147 7.234 0.724 1.00 0.00 C ATOM 229 CD2 PHE A 127 10.479 7.550 2.454 1.00 0.00 C ATOM 230 CE1 PHE A 127 11.350 7.953 -0.176 1.00 0.00 C ATOM 231 CE2 PHE A 127 9.682 8.269 1.555 1.00 0.00 C ATOM 232 CZ PHE A 127 10.118 8.470 0.240 1.00 0.00 C ATOM 0 H PHE A 127 10.433 5.010 3.018 1.00 0.00 H new ATOM 0 HA PHE A 127 13.131 4.535 1.789 1.00 0.00 H new ATOM 0 HB2 PHE A 127 12.216 6.418 4.029 1.00 0.00 H new ATOM 0 HB3 PHE A 127 13.597 6.622 2.970 1.00 0.00 H new ATOM 0 HD1 PHE A 127 13.098 6.835 0.403 1.00 0.00 H new ATOM 0 HD2 PHE A 127 10.143 7.394 3.468 1.00 0.00 H new ATOM 0 HE1 PHE A 127 11.686 8.108 -1.191 1.00 0.00 H new ATOM 0 HE2 PHE A 127 8.731 8.668 1.876 1.00 0.00 H new ATOM 0 HZ PHE A 127 9.503 9.024 -0.454 1.00 0.00 H new ATOM 242 N LYS A 128 14.360 3.988 4.042 1.00 0.00 N ATOM 243 CA LYS A 128 14.962 3.206 5.156 1.00 0.00 C ATOM 244 C LYS A 128 16.164 3.959 5.730 1.00 0.00 C ATOM 245 O LYS A 128 16.870 4.654 5.026 1.00 0.00 O ATOM 246 CB LYS A 128 15.388 1.876 4.528 1.00 0.00 C ATOM 247 CG LYS A 128 16.296 1.110 5.496 1.00 0.00 C ATOM 248 CD LYS A 128 15.528 -0.071 6.096 1.00 0.00 C ATOM 249 CE LYS A 128 16.243 -1.376 5.740 1.00 0.00 C ATOM 250 NZ LYS A 128 15.393 -2.453 6.316 1.00 0.00 N ATOM 0 H LYS A 128 15.020 4.541 3.495 1.00 0.00 H new ATOM 0 HA LYS A 128 14.268 3.049 5.981 1.00 0.00 H new ATOM 0 HB2 LYS A 128 14.508 1.278 4.290 1.00 0.00 H new ATOM 0 HB3 LYS A 128 15.913 2.058 3.590 1.00 0.00 H new ATOM 0 HG2 LYS A 128 17.182 0.752 4.973 1.00 0.00 H new ATOM 0 HG3 LYS A 128 16.640 1.773 6.289 1.00 0.00 H new ATOM 0 HD2 LYS A 128 15.462 0.036 7.179 1.00 0.00 H new ATOM 0 HD3 LYS A 128 14.507 -0.087 5.714 1.00 0.00 H new ATOM 0 HE2 LYS A 128 16.344 -1.488 4.661 1.00 0.00 H new ATOM 0 HE3 LYS A 128 17.249 -1.401 6.159 1.00 0.00 H new ATOM 0 HZ1 LYS A 128 15.820 -3.379 6.112 1.00 0.00 H new ATOM 0 HZ2 LYS A 128 15.320 -2.325 7.345 1.00 0.00 H new ATOM 0 HZ3 LYS A 128 14.444 -2.409 5.894 1.00 0.00 H new ATOM 264 N CYS A 129 16.397 3.834 7.008 1.00 0.00 N ATOM 265 CA CYS A 129 17.542 4.547 7.636 1.00 0.00 C ATOM 266 C CYS A 129 18.765 3.628 7.718 1.00 0.00 C ATOM 267 O CYS A 129 18.668 2.506 8.174 1.00 0.00 O ATOM 268 CB CYS A 129 17.046 4.911 9.033 1.00 0.00 C ATOM 269 SG CYS A 129 18.269 5.944 9.859 1.00 0.00 S ATOM 0 H CYS A 129 15.840 3.266 7.646 1.00 0.00 H new ATOM 0 HA CYS A 129 17.851 5.423 7.066 1.00 0.00 H new ATOM 0 HB2 CYS A 129 16.095 5.439 8.966 1.00 0.00 H new ATOM 0 HB3 CYS A 129 16.868 4.006 9.614 1.00 0.00 H new ATOM 0 HG CYS A 129 18.179 5.779 11.145 1.00 0.00 H new ATOM 274 N PRO A 130 19.881 4.136 7.267 1.00 0.00 N ATOM 275 CA PRO A 130 21.136 3.350 7.285 1.00 0.00 C ATOM 276 C PRO A 130 21.759 3.329 8.686 1.00 0.00 C ATOM 277 O PRO A 130 22.598 2.503 8.983 1.00 0.00 O ATOM 278 CB PRO A 130 22.037 4.096 6.308 1.00 0.00 C ATOM 279 CG PRO A 130 21.527 5.505 6.291 1.00 0.00 C ATOM 280 CD PRO A 130 20.074 5.474 6.699 1.00 0.00 C ATOM 0 HA PRO A 130 20.980 2.306 7.015 1.00 0.00 H new ATOM 0 HB2 PRO A 130 23.078 4.059 6.628 1.00 0.00 H new ATOM 0 HB3 PRO A 130 21.993 3.650 5.314 1.00 0.00 H new ATOM 0 HG2 PRO A 130 22.103 6.128 6.975 1.00 0.00 H new ATOM 0 HG3 PRO A 130 21.636 5.939 5.297 1.00 0.00 H new ATOM 0 HD2 PRO A 130 19.850 6.251 7.429 1.00 0.00 H new ATOM 0 HD3 PRO A 130 19.418 5.641 5.845 1.00 0.00 H new ATOM 288 N VAL A 131 21.370 4.230 9.549 1.00 0.00 N ATOM 289 CA VAL A 131 21.965 4.246 10.917 1.00 0.00 C ATOM 290 C VAL A 131 21.182 3.331 11.861 1.00 0.00 C ATOM 291 O VAL A 131 21.646 2.271 12.232 1.00 0.00 O ATOM 292 CB VAL A 131 21.884 5.702 11.380 1.00 0.00 C ATOM 293 CG1 VAL A 131 22.058 5.771 12.900 1.00 0.00 C ATOM 294 CG2 VAL A 131 23.000 6.503 10.706 1.00 0.00 C ATOM 0 H VAL A 131 20.671 4.951 9.368 1.00 0.00 H new ATOM 0 HA VAL A 131 22.992 3.880 10.914 1.00 0.00 H new ATOM 0 HB VAL A 131 20.913 6.117 11.110 1.00 0.00 H new ATOM 0 HG11 VAL A 131 22.000 6.809 13.226 1.00 0.00 H new ATOM 0 HG12 VAL A 131 21.269 5.194 13.383 1.00 0.00 H new ATOM 0 HG13 VAL A 131 23.029 5.359 13.174 1.00 0.00 H new ATOM 0 HG21 VAL A 131 22.949 7.542 11.031 1.00 0.00 H new ATOM 0 HG22 VAL A 131 23.967 6.083 10.983 1.00 0.00 H new ATOM 0 HG23 VAL A 131 22.880 6.455 9.624 1.00 0.00 H new ATOM 304 N CYS A 132 20.006 3.727 12.258 1.00 0.00 N ATOM 305 CA CYS A 132 19.216 2.863 13.184 1.00 0.00 C ATOM 306 C CYS A 132 18.407 1.830 12.386 1.00 0.00 C ATOM 307 O CYS A 132 17.501 1.201 12.896 1.00 0.00 O ATOM 308 CB CYS A 132 18.316 3.820 13.975 1.00 0.00 C ATOM 309 SG CYS A 132 16.924 4.362 12.959 1.00 0.00 S ATOM 0 H CYS A 132 19.559 4.603 11.986 1.00 0.00 H new ATOM 0 HA CYS A 132 19.849 2.289 13.860 1.00 0.00 H new ATOM 0 HB2 CYS A 132 17.947 3.324 14.873 1.00 0.00 H new ATOM 0 HB3 CYS A 132 18.893 4.685 14.303 1.00 0.00 H new ATOM 0 HG CYS A 132 15.876 3.646 13.241 1.00 0.00 H new ATOM 314 N SER A 133 18.759 1.634 11.140 1.00 0.00 N ATOM 315 CA SER A 133 18.063 0.624 10.282 1.00 0.00 C ATOM 316 C SER A 133 16.541 0.733 10.384 1.00 0.00 C ATOM 317 O SER A 133 15.831 -0.226 10.153 1.00 0.00 O ATOM 318 CB SER A 133 18.536 -0.737 10.795 1.00 0.00 C ATOM 319 OG SER A 133 18.673 -0.695 12.210 1.00 0.00 O ATOM 0 H SER A 133 19.512 2.139 10.673 1.00 0.00 H new ATOM 0 HA SER A 133 18.301 0.779 9.230 1.00 0.00 H new ATOM 0 HB2 SER A 133 17.823 -1.511 10.512 1.00 0.00 H new ATOM 0 HB3 SER A 133 19.489 -0.998 10.335 1.00 0.00 H new ATOM 0 HG SER A 133 17.862 -0.313 12.606 1.00 0.00 H new ATOM 325 N SER A 134 16.026 1.882 10.705 1.00 0.00 N ATOM 326 CA SER A 134 14.548 2.022 10.788 1.00 0.00 C ATOM 327 C SER A 134 13.973 2.164 9.376 1.00 0.00 C ATOM 328 O SER A 134 14.654 1.926 8.399 1.00 0.00 O ATOM 329 CB SER A 134 14.312 3.290 11.600 1.00 0.00 C ATOM 330 OG SER A 134 14.483 3.001 12.981 1.00 0.00 O ATOM 0 H SER A 134 16.559 2.726 10.913 1.00 0.00 H new ATOM 0 HA SER A 134 14.067 1.160 11.250 1.00 0.00 H new ATOM 0 HB2 SER A 134 15.009 4.069 11.291 1.00 0.00 H new ATOM 0 HB3 SER A 134 13.307 3.671 11.418 1.00 0.00 H new ATOM 0 HG SER A 134 14.043 3.693 13.517 1.00 0.00 H new ATOM 336 N THR A 135 12.734 2.552 9.250 1.00 0.00 N ATOM 337 CA THR A 135 12.149 2.702 7.887 1.00 0.00 C ATOM 338 C THR A 135 10.951 3.652 7.909 1.00 0.00 C ATOM 339 O THR A 135 10.401 3.954 8.950 1.00 0.00 O ATOM 340 CB THR A 135 11.712 1.296 7.476 1.00 0.00 C ATOM 341 OG1 THR A 135 12.662 0.350 7.946 1.00 0.00 O ATOM 342 CG2 THR A 135 11.620 1.219 5.952 1.00 0.00 C ATOM 0 H THR A 135 12.106 2.770 10.024 1.00 0.00 H new ATOM 0 HA THR A 135 12.868 3.126 7.186 1.00 0.00 H new ATOM 0 HB THR A 135 10.737 1.074 7.909 1.00 0.00 H new ATOM 0 HG1 THR A 135 12.382 -0.552 7.684 1.00 0.00 H new ATOM 0 HG21 THR A 135 11.309 0.217 5.656 1.00 0.00 H new ATOM 0 HG22 THR A 135 10.891 1.946 5.594 1.00 0.00 H new ATOM 0 HG23 THR A 135 12.595 1.439 5.517 1.00 0.00 H new ATOM 350 N PHE A 136 10.543 4.122 6.763 1.00 0.00 N ATOM 351 CA PHE A 136 9.382 5.051 6.702 1.00 0.00 C ATOM 352 C PHE A 136 8.666 4.907 5.357 1.00 0.00 C ATOM 353 O PHE A 136 9.185 4.326 4.424 1.00 0.00 O ATOM 354 CB PHE A 136 9.984 6.450 6.839 1.00 0.00 C ATOM 355 CG PHE A 136 10.970 6.466 7.981 1.00 0.00 C ATOM 356 CD1 PHE A 136 10.520 6.673 9.290 1.00 0.00 C ATOM 357 CD2 PHE A 136 12.334 6.277 7.731 1.00 0.00 C ATOM 358 CE1 PHE A 136 11.435 6.689 10.350 1.00 0.00 C ATOM 359 CE2 PHE A 136 13.248 6.293 8.790 1.00 0.00 C ATOM 360 CZ PHE A 136 12.799 6.500 10.100 1.00 0.00 C ATOM 0 H PHE A 136 10.967 3.901 5.862 1.00 0.00 H new ATOM 0 HA PHE A 136 8.647 4.846 7.481 1.00 0.00 H new ATOM 0 HB2 PHE A 136 10.481 6.736 5.912 1.00 0.00 H new ATOM 0 HB3 PHE A 136 9.195 7.181 7.016 1.00 0.00 H new ATOM 0 HD1 PHE A 136 9.468 6.820 9.483 1.00 0.00 H new ATOM 0 HD2 PHE A 136 12.681 6.119 6.721 1.00 0.00 H new ATOM 0 HE1 PHE A 136 11.088 6.847 11.360 1.00 0.00 H new ATOM 0 HE2 PHE A 136 14.300 6.146 8.597 1.00 0.00 H new ATOM 0 HZ PHE A 136 13.505 6.514 10.917 1.00 0.00 H new ATOM 370 N THR A 137 7.479 5.434 5.250 1.00 0.00 N ATOM 371 CA THR A 137 6.729 5.331 3.967 1.00 0.00 C ATOM 372 C THR A 137 6.183 6.705 3.566 1.00 0.00 C ATOM 373 O THR A 137 6.568 7.719 4.113 1.00 0.00 O ATOM 374 CB THR A 137 5.584 4.358 4.254 1.00 0.00 C ATOM 375 OG1 THR A 137 5.353 4.303 5.655 1.00 0.00 O ATOM 376 CG2 THR A 137 5.954 2.966 3.740 1.00 0.00 C ATOM 0 H THR A 137 6.995 5.932 5.997 1.00 0.00 H new ATOM 0 HA THR A 137 7.357 4.986 3.145 1.00 0.00 H new ATOM 0 HB THR A 137 4.680 4.700 3.749 1.00 0.00 H new ATOM 0 HG1 THR A 137 5.105 3.390 5.910 1.00 0.00 H new ATOM 0 HG21 THR A 137 5.138 2.274 3.945 1.00 0.00 H new ATOM 0 HG22 THR A 137 6.131 3.010 2.665 1.00 0.00 H new ATOM 0 HG23 THR A 137 6.857 2.621 4.243 1.00 0.00 H new ATOM 384 N ASP A 138 5.290 6.747 2.616 1.00 0.00 N ATOM 385 CA ASP A 138 4.723 8.057 2.187 1.00 0.00 C ATOM 386 C ASP A 138 4.125 8.793 3.387 1.00 0.00 C ATOM 387 O ASP A 138 4.356 9.970 3.583 1.00 0.00 O ATOM 388 CB ASP A 138 3.634 7.707 1.176 1.00 0.00 C ATOM 389 CG ASP A 138 2.707 6.646 1.772 1.00 0.00 C ATOM 390 OD1 ASP A 138 3.144 5.516 1.912 1.00 0.00 O ATOM 391 OD2 ASP A 138 1.575 6.983 2.080 1.00 0.00 O ATOM 0 H ASP A 138 4.929 5.933 2.119 1.00 0.00 H new ATOM 0 HA ASP A 138 5.480 8.713 1.758 1.00 0.00 H new ATOM 0 HB2 ASP A 138 3.064 8.599 0.916 1.00 0.00 H new ATOM 0 HB3 ASP A 138 4.084 7.336 0.255 1.00 0.00 H new ATOM 396 N LEU A 139 3.362 8.109 4.197 1.00 0.00 N ATOM 397 CA LEU A 139 2.756 8.776 5.384 1.00 0.00 C ATOM 398 C LEU A 139 3.858 9.387 6.252 1.00 0.00 C ATOM 399 O LEU A 139 3.616 10.263 7.058 1.00 0.00 O ATOM 400 CB LEU A 139 2.029 7.665 6.140 1.00 0.00 C ATOM 401 CG LEU A 139 3.029 6.582 6.548 1.00 0.00 C ATOM 402 CD1 LEU A 139 2.903 6.309 8.047 1.00 0.00 C ATOM 403 CD2 LEU A 139 2.734 5.297 5.771 1.00 0.00 C ATOM 0 H LEU A 139 3.133 7.121 4.088 1.00 0.00 H new ATOM 0 HA LEU A 139 2.078 9.583 5.107 1.00 0.00 H new ATOM 0 HB2 LEU A 139 1.539 8.073 7.024 1.00 0.00 H new ATOM 0 HB3 LEU A 139 1.248 7.235 5.513 1.00 0.00 H new ATOM 0 HG LEU A 139 4.041 6.920 6.324 1.00 0.00 H new ATOM 0 HD11 LEU A 139 3.616 5.537 8.337 1.00 0.00 H new ATOM 0 HD12 LEU A 139 3.112 7.223 8.602 1.00 0.00 H new ATOM 0 HD13 LEU A 139 1.891 5.972 8.272 1.00 0.00 H new ATOM 0 HD21 LEU A 139 3.446 4.525 6.061 1.00 0.00 H new ATOM 0 HD22 LEU A 139 1.722 4.960 5.996 1.00 0.00 H new ATOM 0 HD23 LEU A 139 2.823 5.490 4.702 1.00 0.00 H new ATOM 415 N GLU A 140 5.070 8.933 6.085 1.00 0.00 N ATOM 416 CA GLU A 140 6.194 9.487 6.889 1.00 0.00 C ATOM 417 C GLU A 140 7.096 10.345 5.999 1.00 0.00 C ATOM 418 O GLU A 140 7.913 11.108 6.475 1.00 0.00 O ATOM 419 CB GLU A 140 6.953 8.264 7.405 1.00 0.00 C ATOM 420 CG GLU A 140 5.974 7.291 8.065 1.00 0.00 C ATOM 421 CD GLU A 140 6.697 6.502 9.157 1.00 0.00 C ATOM 422 OE1 GLU A 140 7.274 7.128 10.031 1.00 0.00 O ATOM 423 OE2 GLU A 140 6.662 5.283 9.102 1.00 0.00 O ATOM 0 H GLU A 140 5.330 8.200 5.425 1.00 0.00 H new ATOM 0 HA GLU A 140 5.850 10.123 7.705 1.00 0.00 H new ATOM 0 HB2 GLU A 140 7.471 7.772 6.582 1.00 0.00 H new ATOM 0 HB3 GLU A 140 7.714 8.572 8.122 1.00 0.00 H new ATOM 0 HG2 GLU A 140 5.134 7.838 8.493 1.00 0.00 H new ATOM 0 HG3 GLU A 140 5.564 6.609 7.320 1.00 0.00 H new ATOM 430 N ALA A 141 6.953 10.224 4.707 1.00 0.00 N ATOM 431 CA ALA A 141 7.802 11.029 3.781 1.00 0.00 C ATOM 432 C ALA A 141 7.494 12.521 3.939 1.00 0.00 C ATOM 433 O ALA A 141 8.341 13.363 3.727 1.00 0.00 O ATOM 434 CB ALA A 141 7.424 10.549 2.380 1.00 0.00 C ATOM 0 H ALA A 141 6.285 9.602 4.252 1.00 0.00 H new ATOM 0 HA ALA A 141 8.866 10.903 3.983 1.00 0.00 H new ATOM 0 HB1 ALA A 141 8.007 11.095 1.639 1.00 0.00 H new ATOM 0 HB2 ALA A 141 7.632 9.483 2.292 1.00 0.00 H new ATOM 0 HB3 ALA A 141 6.362 10.726 2.209 1.00 0.00 H new ATOM 440 N ASN A 142 6.290 12.854 4.316 1.00 0.00 N ATOM 441 CA ASN A 142 5.937 14.292 4.491 1.00 0.00 C ATOM 442 C ASN A 142 6.298 14.737 5.907 1.00 0.00 C ATOM 443 O ASN A 142 6.388 15.912 6.201 1.00 0.00 O ATOM 444 CB ASN A 142 4.426 14.361 4.274 1.00 0.00 C ATOM 445 CG ASN A 142 4.072 13.714 2.934 1.00 0.00 C ATOM 446 OD1 ASN A 142 4.940 13.448 2.128 1.00 0.00 O ATOM 447 ND2 ASN A 142 2.825 13.446 2.662 1.00 0.00 N ATOM 0 H ASN A 142 5.537 12.194 4.510 1.00 0.00 H new ATOM 0 HA ASN A 142 6.472 14.943 3.799 1.00 0.00 H new ATOM 0 HB2 ASN A 142 3.908 13.849 5.085 1.00 0.00 H new ATOM 0 HB3 ASN A 142 4.093 15.399 4.288 1.00 0.00 H new ATOM 0 HD21 ASN A 142 2.579 13.013 1.772 1.00 0.00 H new ATOM 0 HD22 ASN A 142 2.096 13.670 3.339 1.00 0.00 H new ATOM 454 N GLN A 143 6.504 13.796 6.784 1.00 0.00 N ATOM 455 CA GLN A 143 6.861 14.140 8.185 1.00 0.00 C ATOM 456 C GLN A 143 8.383 14.039 8.365 1.00 0.00 C ATOM 457 O GLN A 143 8.934 14.489 9.348 1.00 0.00 O ATOM 458 CB GLN A 143 6.102 13.103 9.032 1.00 0.00 C ATOM 459 CG GLN A 143 6.965 12.602 10.194 1.00 0.00 C ATOM 460 CD GLN A 143 6.062 12.147 11.343 1.00 0.00 C ATOM 461 OE1 GLN A 143 6.415 12.279 12.497 1.00 0.00 O ATOM 462 NE2 GLN A 143 4.902 11.612 11.072 1.00 0.00 N ATOM 0 H GLN A 143 6.440 12.797 6.588 1.00 0.00 H new ATOM 0 HA GLN A 143 6.591 15.156 8.473 1.00 0.00 H new ATOM 0 HB2 GLN A 143 5.186 13.547 9.421 1.00 0.00 H new ATOM 0 HB3 GLN A 143 5.808 12.262 8.405 1.00 0.00 H new ATOM 0 HG2 GLN A 143 7.594 11.776 9.863 1.00 0.00 H new ATOM 0 HG3 GLN A 143 7.632 13.395 10.534 1.00 0.00 H new ATOM 0 HE21 GLN A 143 4.606 11.501 10.102 1.00 0.00 H new ATOM 0 HE22 GLN A 143 4.292 11.305 11.830 1.00 0.00 H new ATOM 471 N LEU A 144 9.063 13.454 7.416 1.00 0.00 N ATOM 472 CA LEU A 144 10.544 13.327 7.530 1.00 0.00 C ATOM 473 C LEU A 144 11.233 14.163 6.446 1.00 0.00 C ATOM 474 O LEU A 144 12.400 14.487 6.548 1.00 0.00 O ATOM 475 CB LEU A 144 10.833 11.840 7.321 1.00 0.00 C ATOM 476 CG LEU A 144 10.025 11.015 8.321 1.00 0.00 C ATOM 477 CD1 LEU A 144 10.166 9.529 7.987 1.00 0.00 C ATOM 478 CD2 LEU A 144 10.551 11.269 9.734 1.00 0.00 C ATOM 0 H LEU A 144 8.657 13.059 6.568 1.00 0.00 H new ATOM 0 HA LEU A 144 10.914 13.684 8.491 1.00 0.00 H new ATOM 0 HB2 LEU A 144 10.576 11.549 6.302 1.00 0.00 H new ATOM 0 HB3 LEU A 144 11.898 11.645 7.449 1.00 0.00 H new ATOM 0 HG LEU A 144 8.975 11.304 8.265 1.00 0.00 H new ATOM 0 HD11 LEU A 144 9.590 8.940 8.700 1.00 0.00 H new ATOM 0 HD12 LEU A 144 9.793 9.346 6.979 1.00 0.00 H new ATOM 0 HD13 LEU A 144 11.216 9.241 8.043 1.00 0.00 H new ATOM 0 HD21 LEU A 144 9.975 10.681 10.448 1.00 0.00 H new ATOM 0 HD22 LEU A 144 11.601 10.980 9.789 1.00 0.00 H new ATOM 0 HD23 LEU A 144 10.453 12.328 9.974 1.00 0.00 H new ATOM 490 N PHE A 145 10.522 14.511 5.407 1.00 0.00 N ATOM 491 CA PHE A 145 11.140 15.322 4.318 1.00 0.00 C ATOM 492 C PHE A 145 11.372 16.760 4.788 1.00 0.00 C ATOM 493 O PHE A 145 10.468 17.426 5.255 1.00 0.00 O ATOM 494 CB PHE A 145 10.128 15.285 3.171 1.00 0.00 C ATOM 495 CG PHE A 145 10.636 16.120 2.019 1.00 0.00 C ATOM 496 CD1 PHE A 145 10.677 17.514 2.128 1.00 0.00 C ATOM 497 CD2 PHE A 145 11.061 15.496 0.840 1.00 0.00 C ATOM 498 CE1 PHE A 145 11.143 18.286 1.058 1.00 0.00 C ATOM 499 CE2 PHE A 145 11.527 16.268 -0.230 1.00 0.00 C ATOM 500 CZ PHE A 145 11.569 17.664 -0.122 1.00 0.00 C ATOM 0 H PHE A 145 9.541 14.269 5.265 1.00 0.00 H new ATOM 0 HA PHE A 145 12.112 14.931 4.016 1.00 0.00 H new ATOM 0 HB2 PHE A 145 9.969 14.257 2.846 1.00 0.00 H new ATOM 0 HB3 PHE A 145 9.164 15.664 3.511 1.00 0.00 H new ATOM 0 HD1 PHE A 145 10.349 17.994 3.038 1.00 0.00 H new ATOM 0 HD2 PHE A 145 11.029 14.420 0.756 1.00 0.00 H new ATOM 0 HE1 PHE A 145 11.174 19.362 1.142 1.00 0.00 H new ATOM 0 HE2 PHE A 145 11.855 15.787 -1.140 1.00 0.00 H new ATOM 0 HZ PHE A 145 11.929 18.260 -0.948 1.00 0.00 H new ATOM 510 N ASP A 146 12.578 17.244 4.667 1.00 0.00 N ATOM 511 CA ASP A 146 12.874 18.638 5.104 1.00 0.00 C ATOM 512 C ASP A 146 13.424 19.449 3.928 1.00 0.00 C ATOM 513 O ASP A 146 14.218 18.956 3.153 1.00 0.00 O ATOM 514 CB ASP A 146 13.930 18.494 6.202 1.00 0.00 C ATOM 515 CG ASP A 146 13.539 17.354 7.144 1.00 0.00 C ATOM 516 OD1 ASP A 146 12.396 17.329 7.570 1.00 0.00 O ATOM 517 OD2 ASP A 146 14.389 16.524 7.423 1.00 0.00 O ATOM 0 H ASP A 146 13.373 16.733 4.283 1.00 0.00 H new ATOM 0 HA ASP A 146 11.986 19.159 5.463 1.00 0.00 H new ATOM 0 HB2 ASP A 146 14.905 18.294 5.758 1.00 0.00 H new ATOM 0 HB3 ASP A 146 14.018 19.426 6.760 1.00 0.00 H new ATOM 522 N PRO A 147 12.976 20.673 3.835 1.00 0.00 N ATOM 523 CA PRO A 147 13.425 21.565 2.738 1.00 0.00 C ATOM 524 C PRO A 147 14.861 22.033 2.980 1.00 0.00 C ATOM 525 O PRO A 147 15.465 22.675 2.144 1.00 0.00 O ATOM 526 CB PRO A 147 12.453 22.739 2.811 1.00 0.00 C ATOM 527 CG PRO A 147 11.967 22.753 4.226 1.00 0.00 C ATOM 528 CD PRO A 147 12.022 21.334 4.730 1.00 0.00 C ATOM 0 HA PRO A 147 13.426 21.076 1.764 1.00 0.00 H new ATOM 0 HB2 PRO A 147 12.946 23.676 2.554 1.00 0.00 H new ATOM 0 HB3 PRO A 147 11.627 22.611 2.111 1.00 0.00 H new ATOM 0 HG2 PRO A 147 12.589 23.404 4.840 1.00 0.00 H new ATOM 0 HG3 PRO A 147 10.950 23.141 4.280 1.00 0.00 H new ATOM 0 HD2 PRO A 147 12.354 21.292 5.767 1.00 0.00 H new ATOM 0 HD3 PRO A 147 11.042 20.858 4.689 1.00 0.00 H new ATOM 536 N MET A 148 15.413 21.719 4.120 1.00 0.00 N ATOM 537 CA MET A 148 16.809 22.149 4.416 1.00 0.00 C ATOM 538 C MET A 148 17.800 21.359 3.558 1.00 0.00 C ATOM 539 O MET A 148 18.978 21.656 3.522 1.00 0.00 O ATOM 540 CB MET A 148 17.014 21.833 5.899 1.00 0.00 C ATOM 541 CG MET A 148 16.877 20.326 6.123 1.00 0.00 C ATOM 542 SD MET A 148 17.590 19.890 7.728 1.00 0.00 S ATOM 543 CE MET A 148 16.633 21.056 8.727 1.00 0.00 C ATOM 0 H MET A 148 14.958 21.183 4.859 1.00 0.00 H new ATOM 0 HA MET A 148 16.971 23.204 4.197 1.00 0.00 H new ATOM 0 HB2 MET A 148 17.999 22.171 6.221 1.00 0.00 H new ATOM 0 HB3 MET A 148 16.280 22.369 6.501 1.00 0.00 H new ATOM 0 HG2 MET A 148 15.827 20.036 6.088 1.00 0.00 H new ATOM 0 HG3 MET A 148 17.385 19.781 5.327 1.00 0.00 H new ATOM 0 HE1 MET A 148 16.580 20.696 9.755 1.00 0.00 H new ATOM 0 HE2 MET A 148 17.116 22.033 8.709 1.00 0.00 H new ATOM 0 HE3 MET A 148 15.626 21.142 8.320 1.00 0.00 H new ATOM 553 N THR A 149 17.334 20.355 2.865 1.00 0.00 N ATOM 554 CA THR A 149 18.254 19.550 2.011 1.00 0.00 C ATOM 555 C THR A 149 17.504 18.990 0.801 1.00 0.00 C ATOM 556 O THR A 149 18.029 18.925 -0.293 1.00 0.00 O ATOM 557 CB THR A 149 18.741 18.414 2.912 1.00 0.00 C ATOM 558 OG1 THR A 149 19.512 17.501 2.144 1.00 0.00 O ATOM 559 CG2 THR A 149 17.538 17.686 3.515 1.00 0.00 C ATOM 0 H THR A 149 16.358 20.058 2.853 1.00 0.00 H new ATOM 0 HA THR A 149 19.080 20.146 1.623 1.00 0.00 H new ATOM 0 HB THR A 149 19.354 18.824 3.715 1.00 0.00 H new ATOM 0 HG1 THR A 149 18.929 16.796 1.791 1.00 0.00 H new ATOM 0 HG21 THR A 149 17.887 16.877 4.157 1.00 0.00 H new ATOM 0 HG22 THR A 149 16.946 18.387 4.104 1.00 0.00 H new ATOM 0 HG23 THR A 149 16.923 17.275 2.715 1.00 0.00 H new ATOM 567 N GLY A 150 16.281 18.584 0.989 1.00 0.00 N ATOM 568 CA GLY A 150 15.498 18.027 -0.149 1.00 0.00 C ATOM 569 C GLY A 150 15.444 16.502 -0.034 1.00 0.00 C ATOM 570 O GLY A 150 15.451 15.793 -1.021 1.00 0.00 O ATOM 0 H GLY A 150 15.789 18.613 1.882 1.00 0.00 H new ATOM 0 HA2 GLY A 150 14.489 18.438 -0.146 1.00 0.00 H new ATOM 0 HA3 GLY A 150 15.956 18.315 -1.095 1.00 0.00 H new ATOM 574 N THR A 151 15.390 15.993 1.166 1.00 0.00 N ATOM 575 CA THR A 151 15.335 14.514 1.350 1.00 0.00 C ATOM 576 C THR A 151 14.535 14.174 2.610 1.00 0.00 C ATOM 577 O THR A 151 14.021 15.047 3.279 1.00 0.00 O ATOM 578 CB THR A 151 16.793 14.075 1.504 1.00 0.00 C ATOM 579 OG1 THR A 151 17.651 15.113 1.049 1.00 0.00 O ATOM 580 CG2 THR A 151 17.038 12.810 0.680 1.00 0.00 C ATOM 0 H THR A 151 15.382 16.538 2.028 1.00 0.00 H new ATOM 0 HA THR A 151 14.848 14.010 0.515 1.00 0.00 H new ATOM 0 HB THR A 151 17.000 13.867 2.554 1.00 0.00 H new ATOM 0 HG1 THR A 151 18.585 14.833 1.149 1.00 0.00 H new ATOM 0 HG21 THR A 151 18.077 12.499 0.791 1.00 0.00 H new ATOM 0 HG22 THR A 151 16.381 12.014 1.031 1.00 0.00 H new ATOM 0 HG23 THR A 151 16.831 13.014 -0.370 1.00 0.00 H new ATOM 588 N PHE A 152 14.428 12.916 2.941 1.00 0.00 N ATOM 589 CA PHE A 152 13.662 12.530 4.159 1.00 0.00 C ATOM 590 C PHE A 152 14.625 12.239 5.312 1.00 0.00 C ATOM 591 O PHE A 152 15.609 11.546 5.150 1.00 0.00 O ATOM 592 CB PHE A 152 12.897 11.268 3.759 1.00 0.00 C ATOM 593 CG PHE A 152 12.170 11.515 2.458 1.00 0.00 C ATOM 594 CD1 PHE A 152 12.849 11.382 1.241 1.00 0.00 C ATOM 595 CD2 PHE A 152 10.820 11.879 2.472 1.00 0.00 C ATOM 596 CE1 PHE A 152 12.174 11.613 0.036 1.00 0.00 C ATOM 597 CE2 PHE A 152 10.145 12.110 1.268 1.00 0.00 C ATOM 598 CZ PHE A 152 10.822 11.978 0.050 1.00 0.00 C ATOM 0 H PHE A 152 14.838 12.140 2.421 1.00 0.00 H new ATOM 0 HA PHE A 152 12.991 13.319 4.499 1.00 0.00 H new ATOM 0 HB2 PHE A 152 13.586 10.431 3.650 1.00 0.00 H new ATOM 0 HB3 PHE A 152 12.187 10.997 4.540 1.00 0.00 H new ATOM 0 HD1 PHE A 152 13.892 11.102 1.231 1.00 0.00 H new ATOM 0 HD2 PHE A 152 10.298 11.982 3.412 1.00 0.00 H new ATOM 0 HE1 PHE A 152 12.696 11.510 -0.904 1.00 0.00 H new ATOM 0 HE2 PHE A 152 9.102 12.390 1.279 1.00 0.00 H new ATOM 0 HZ PHE A 152 10.302 12.158 -0.879 1.00 0.00 H new ATOM 608 N ARG A 153 14.353 12.769 6.473 1.00 0.00 N ATOM 609 CA ARG A 153 15.264 12.525 7.628 1.00 0.00 C ATOM 610 C ARG A 153 14.611 11.586 8.644 1.00 0.00 C ATOM 611 O ARG A 153 13.432 11.679 8.925 1.00 0.00 O ATOM 612 CB ARG A 153 15.494 13.900 8.256 1.00 0.00 C ATOM 613 CG ARG A 153 16.669 14.590 7.562 1.00 0.00 C ATOM 614 CD ARG A 153 17.059 15.846 8.344 1.00 0.00 C ATOM 615 NE ARG A 153 18.523 15.996 8.123 1.00 0.00 N ATOM 616 CZ ARG A 153 19.125 17.098 8.479 1.00 0.00 C ATOM 617 NH1 ARG A 153 19.128 17.465 9.732 1.00 0.00 N ATOM 618 NH2 ARG A 153 19.725 17.833 7.583 1.00 0.00 N ATOM 0 H ARG A 153 13.544 13.357 6.672 1.00 0.00 H new ATOM 0 HA ARG A 153 16.195 12.054 7.313 1.00 0.00 H new ATOM 0 HB2 ARG A 153 14.595 14.509 8.163 1.00 0.00 H new ATOM 0 HB3 ARG A 153 15.698 13.795 9.321 1.00 0.00 H new ATOM 0 HG2 ARG A 153 17.518 13.910 7.499 1.00 0.00 H new ATOM 0 HG3 ARG A 153 16.397 14.855 6.540 1.00 0.00 H new ATOM 0 HD2 ARG A 153 16.514 16.719 7.986 1.00 0.00 H new ATOM 0 HD3 ARG A 153 16.828 15.739 9.404 1.00 0.00 H new ATOM 0 HE ARG A 153 19.055 15.239 7.694 1.00 0.00 H new ATOM 0 HH11 ARG A 153 18.660 16.890 10.433 1.00 0.00 H new ATOM 0 HH12 ARG A 153 19.599 18.326 10.010 1.00 0.00 H new ATOM 0 HH21 ARG A 153 19.724 17.546 6.604 1.00 0.00 H new ATOM 0 HH22 ARG A 153 20.195 18.694 7.862 1.00 0.00 H new ATOM 632 N CYS A 154 15.377 10.693 9.204 1.00 0.00 N ATOM 633 CA CYS A 154 14.823 9.752 10.219 1.00 0.00 C ATOM 634 C CYS A 154 13.971 10.528 11.230 1.00 0.00 C ATOM 635 O CYS A 154 13.908 11.740 11.195 1.00 0.00 O ATOM 636 CB CYS A 154 16.061 9.168 10.894 1.00 0.00 C ATOM 637 SG CYS A 154 15.617 7.712 11.866 1.00 0.00 S ATOM 0 H CYS A 154 16.369 10.573 9.002 1.00 0.00 H new ATOM 0 HA CYS A 154 14.183 8.981 9.789 1.00 0.00 H new ATOM 0 HB2 CYS A 154 16.801 8.899 10.141 1.00 0.00 H new ATOM 0 HB3 CYS A 154 16.520 9.918 11.538 1.00 0.00 H new ATOM 0 HG CYS A 154 16.351 6.704 11.498 1.00 0.00 H new ATOM 642 N THR A 155 13.315 9.849 12.130 1.00 0.00 N ATOM 643 CA THR A 155 12.476 10.576 13.128 1.00 0.00 C ATOM 644 C THR A 155 12.982 10.321 14.551 1.00 0.00 C ATOM 645 O THR A 155 12.646 11.039 15.472 1.00 0.00 O ATOM 646 CB THR A 155 11.061 10.020 12.954 1.00 0.00 C ATOM 647 OG1 THR A 155 11.023 9.150 11.831 1.00 0.00 O ATOM 648 CG2 THR A 155 10.086 11.180 12.738 1.00 0.00 C ATOM 0 H THR A 155 13.322 8.833 12.219 1.00 0.00 H new ATOM 0 HA THR A 155 12.510 11.654 12.972 1.00 0.00 H new ATOM 0 HB THR A 155 10.776 9.464 13.847 1.00 0.00 H new ATOM 0 HG1 THR A 155 11.518 8.330 12.036 1.00 0.00 H new ATOM 0 HG21 THR A 155 9.076 10.788 12.614 1.00 0.00 H new ATOM 0 HG22 THR A 155 10.114 11.844 13.602 1.00 0.00 H new ATOM 0 HG23 THR A 155 10.373 11.735 11.845 1.00 0.00 H new ATOM 656 N PHE A 156 13.789 9.314 14.744 1.00 0.00 N ATOM 657 CA PHE A 156 14.306 9.038 16.117 1.00 0.00 C ATOM 658 C PHE A 156 15.820 9.247 16.159 1.00 0.00 C ATOM 659 O PHE A 156 16.358 9.751 17.124 1.00 0.00 O ATOM 660 CB PHE A 156 13.948 7.583 16.460 1.00 0.00 C ATOM 661 CG PHE A 156 13.406 6.844 15.256 1.00 0.00 C ATOM 662 CD1 PHE A 156 14.267 6.451 14.229 1.00 0.00 C ATOM 663 CD2 PHE A 156 12.038 6.555 15.173 1.00 0.00 C ATOM 664 CE1 PHE A 156 13.762 5.773 13.116 1.00 0.00 C ATOM 665 CE2 PHE A 156 11.533 5.875 14.059 1.00 0.00 C ATOM 666 CZ PHE A 156 12.396 5.483 13.030 1.00 0.00 C ATOM 0 H PHE A 156 14.111 8.674 14.018 1.00 0.00 H new ATOM 0 HA PHE A 156 13.860 9.717 16.844 1.00 0.00 H new ATOM 0 HB2 PHE A 156 14.833 7.069 16.835 1.00 0.00 H new ATOM 0 HB3 PHE A 156 13.208 7.569 17.260 1.00 0.00 H new ATOM 0 HD1 PHE A 156 15.322 6.671 14.295 1.00 0.00 H new ATOM 0 HD2 PHE A 156 11.373 6.857 15.969 1.00 0.00 H new ATOM 0 HE1 PHE A 156 14.428 5.472 12.321 1.00 0.00 H new ATOM 0 HE2 PHE A 156 10.478 5.653 13.994 1.00 0.00 H new ATOM 0 HZ PHE A 156 12.008 4.957 12.170 1.00 0.00 H new ATOM 676 N CYS A 157 16.509 8.877 15.118 1.00 0.00 N ATOM 677 CA CYS A 157 17.985 9.072 15.102 1.00 0.00 C ATOM 678 C CYS A 157 18.354 10.095 14.010 1.00 0.00 C ATOM 679 O CYS A 157 19.491 10.212 13.596 1.00 0.00 O ATOM 680 CB CYS A 157 18.566 7.662 14.868 1.00 0.00 C ATOM 681 SG CYS A 157 19.134 7.436 13.164 1.00 0.00 S ATOM 0 H CYS A 157 16.116 8.449 14.279 1.00 0.00 H new ATOM 0 HA CYS A 157 18.393 9.486 16.024 1.00 0.00 H new ATOM 0 HB2 CYS A 157 19.398 7.495 15.552 1.00 0.00 H new ATOM 0 HB3 CYS A 157 17.807 6.914 15.099 1.00 0.00 H new ATOM 0 HG CYS A 157 18.115 7.474 12.358 1.00 0.00 H new ATOM 686 N HIS A 158 17.380 10.854 13.578 1.00 0.00 N ATOM 687 CA HIS A 158 17.597 11.917 12.545 1.00 0.00 C ATOM 688 C HIS A 158 18.679 11.555 11.518 1.00 0.00 C ATOM 689 O HIS A 158 19.363 12.422 11.011 1.00 0.00 O ATOM 690 CB HIS A 158 18.016 13.150 13.346 1.00 0.00 C ATOM 691 CG HIS A 158 16.792 13.805 13.925 1.00 0.00 C ATOM 692 ND1 HIS A 158 16.135 14.842 13.283 1.00 0.00 N ATOM 693 CD2 HIS A 158 16.090 13.575 15.083 1.00 0.00 C ATOM 694 CE1 HIS A 158 15.087 15.194 14.049 1.00 0.00 C ATOM 695 NE2 HIS A 158 15.013 14.454 15.158 1.00 0.00 N ATOM 0 H HIS A 158 16.417 10.780 13.906 1.00 0.00 H new ATOM 0 HA HIS A 158 16.693 12.068 11.955 1.00 0.00 H new ATOM 0 HB2 HIS A 158 18.702 12.864 14.144 1.00 0.00 H new ATOM 0 HB3 HIS A 158 18.549 13.851 12.704 1.00 0.00 H new ATOM 0 HD2 HIS A 158 16.336 12.827 15.822 1.00 0.00 H new ATOM 0 HE1 HIS A 158 14.390 15.980 13.798 1.00 0.00 H new ATOM 0 HE2 HIS A 158 14.317 14.519 15.901 1.00 0.00 H new ATOM 703 N THR A 159 18.832 10.307 11.174 1.00 0.00 N ATOM 704 CA THR A 159 19.860 9.956 10.150 1.00 0.00 C ATOM 705 C THR A 159 19.226 9.992 8.756 1.00 0.00 C ATOM 706 O THR A 159 18.178 9.421 8.528 1.00 0.00 O ATOM 707 CB THR A 159 20.314 8.539 10.497 1.00 0.00 C ATOM 708 OG1 THR A 159 21.192 8.588 11.612 1.00 0.00 O ATOM 709 CG2 THR A 159 21.041 7.917 9.297 1.00 0.00 C ATOM 0 H THR A 159 18.299 9.523 11.550 1.00 0.00 H new ATOM 0 HA THR A 159 20.699 10.652 10.147 1.00 0.00 H new ATOM 0 HB THR A 159 19.444 7.930 10.742 1.00 0.00 H new ATOM 0 HG1 THR A 159 20.714 8.300 12.418 1.00 0.00 H new ATOM 0 HG21 THR A 159 21.362 6.907 9.550 1.00 0.00 H new ATOM 0 HG22 THR A 159 20.366 7.879 8.442 1.00 0.00 H new ATOM 0 HG23 THR A 159 21.912 8.522 9.045 1.00 0.00 H new ATOM 717 N GLU A 160 19.852 10.650 7.820 1.00 0.00 N ATOM 718 CA GLU A 160 19.280 10.708 6.444 1.00 0.00 C ATOM 719 C GLU A 160 18.816 9.314 6.009 1.00 0.00 C ATOM 720 O GLU A 160 19.522 8.338 6.170 1.00 0.00 O ATOM 721 CB GLU A 160 20.428 11.195 5.559 1.00 0.00 C ATOM 722 CG GLU A 160 19.864 11.992 4.379 1.00 0.00 C ATOM 723 CD GLU A 160 19.549 13.420 4.831 1.00 0.00 C ATOM 724 OE1 GLU A 160 20.298 13.945 5.638 1.00 0.00 O ATOM 725 OE2 GLU A 160 18.564 13.964 4.362 1.00 0.00 O ATOM 0 H GLU A 160 20.732 11.149 7.947 1.00 0.00 H new ATOM 0 HA GLU A 160 18.413 11.365 6.381 1.00 0.00 H new ATOM 0 HB2 GLU A 160 21.109 11.818 6.139 1.00 0.00 H new ATOM 0 HB3 GLU A 160 21.005 10.345 5.194 1.00 0.00 H new ATOM 0 HG2 GLU A 160 20.584 12.009 3.561 1.00 0.00 H new ATOM 0 HG3 GLU A 160 18.962 11.512 4.000 1.00 0.00 H new ATOM 732 N VAL A 161 17.635 9.212 5.464 1.00 0.00 N ATOM 733 CA VAL A 161 17.131 7.878 5.026 1.00 0.00 C ATOM 734 C VAL A 161 17.179 7.765 3.500 1.00 0.00 C ATOM 735 O VAL A 161 17.200 8.754 2.795 1.00 0.00 O ATOM 736 CB VAL A 161 15.685 7.819 5.520 1.00 0.00 C ATOM 737 CG1 VAL A 161 15.649 8.035 7.032 1.00 0.00 C ATOM 738 CG2 VAL A 161 14.870 8.917 4.834 1.00 0.00 C ATOM 0 H VAL A 161 16.998 9.992 5.303 1.00 0.00 H new ATOM 0 HA VAL A 161 17.733 7.061 5.423 1.00 0.00 H new ATOM 0 HB VAL A 161 15.262 6.843 5.283 1.00 0.00 H new ATOM 0 HG11 VAL A 161 14.617 7.992 7.381 1.00 0.00 H new ATOM 0 HG12 VAL A 161 16.231 7.256 7.525 1.00 0.00 H new ATOM 0 HG13 VAL A 161 16.073 9.011 7.270 1.00 0.00 H new ATOM 0 HG21 VAL A 161 13.839 8.877 5.184 1.00 0.00 H new ATOM 0 HG22 VAL A 161 15.297 9.891 5.073 1.00 0.00 H new ATOM 0 HG23 VAL A 161 14.893 8.766 3.755 1.00 0.00 H new ATOM 748 N GLU A 162 17.191 6.565 2.986 1.00 0.00 N ATOM 749 CA GLU A 162 17.232 6.386 1.507 1.00 0.00 C ATOM 750 C GLU A 162 16.065 5.504 1.054 1.00 0.00 C ATOM 751 O GLU A 162 15.556 4.697 1.806 1.00 0.00 O ATOM 752 CB GLU A 162 18.568 5.696 1.224 1.00 0.00 C ATOM 753 CG GLU A 162 19.718 6.648 1.559 1.00 0.00 C ATOM 754 CD GLU A 162 21.020 6.104 0.967 1.00 0.00 C ATOM 755 OE1 GLU A 162 21.363 4.976 1.280 1.00 0.00 O ATOM 756 OE2 GLU A 162 21.649 6.823 0.210 1.00 0.00 O ATOM 0 H GLU A 162 17.174 5.700 3.527 1.00 0.00 H new ATOM 0 HA GLU A 162 17.145 7.332 0.973 1.00 0.00 H new ATOM 0 HB2 GLU A 162 18.652 4.786 1.817 1.00 0.00 H new ATOM 0 HB3 GLU A 162 18.621 5.400 0.176 1.00 0.00 H new ATOM 0 HG2 GLU A 162 19.511 7.640 1.159 1.00 0.00 H new ATOM 0 HG3 GLU A 162 19.814 6.754 2.640 1.00 0.00 H new ATOM 763 N GLU A 163 15.636 5.653 -0.170 1.00 0.00 N ATOM 764 CA GLU A 163 14.500 4.823 -0.667 1.00 0.00 C ATOM 765 C GLU A 163 14.829 3.335 -0.524 1.00 0.00 C ATOM 766 O GLU A 163 15.819 2.855 -1.042 1.00 0.00 O ATOM 767 CB GLU A 163 14.349 5.197 -2.141 1.00 0.00 C ATOM 768 CG GLU A 163 12.905 4.953 -2.585 1.00 0.00 C ATOM 769 CD GLU A 163 12.882 4.596 -4.072 1.00 0.00 C ATOM 770 OE1 GLU A 163 13.870 4.062 -4.547 1.00 0.00 O ATOM 771 OE2 GLU A 163 11.878 4.863 -4.710 1.00 0.00 O ATOM 0 H GLU A 163 16.022 6.312 -0.846 1.00 0.00 H new ATOM 0 HA GLU A 163 13.583 5.002 -0.105 1.00 0.00 H new ATOM 0 HB2 GLU A 163 14.615 6.244 -2.291 1.00 0.00 H new ATOM 0 HB3 GLU A 163 15.033 4.605 -2.749 1.00 0.00 H new ATOM 0 HG2 GLU A 163 12.465 4.146 -1.999 1.00 0.00 H new ATOM 0 HG3 GLU A 163 12.302 5.843 -2.404 1.00 0.00 H new ATOM 778 N ASP A 164 14.005 2.601 0.172 1.00 0.00 N ATOM 779 CA ASP A 164 14.270 1.143 0.346 1.00 0.00 C ATOM 780 C ASP A 164 13.804 0.370 -0.889 1.00 0.00 C ATOM 781 O ASP A 164 12.645 0.398 -1.253 1.00 0.00 O ATOM 782 CB ASP A 164 13.452 0.738 1.572 1.00 0.00 C ATOM 783 CG ASP A 164 13.728 -0.729 1.907 1.00 0.00 C ATOM 784 OD1 ASP A 164 13.963 -1.492 0.984 1.00 0.00 O ATOM 785 OD2 ASP A 164 13.699 -1.064 3.078 1.00 0.00 O ATOM 0 H ASP A 164 13.160 2.946 0.628 1.00 0.00 H new ATOM 0 HA ASP A 164 15.331 0.927 0.473 1.00 0.00 H new ATOM 0 HB2 ASP A 164 13.711 1.371 2.421 1.00 0.00 H new ATOM 0 HB3 ASP A 164 12.389 0.884 1.378 1.00 0.00 H new