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 -153:sc= -1.91! USER MOD Set 1.2: A 132 CYS SG : rot 108:sc= -1.15! USER MOD Set 1.3: A 134 SER OG : rot -166:sc= 2.32 USER MOD Set 1.4: A 154 CYS SG : rot 125:sc= -6.91! USER MOD Set 1.5: A 157 CYS SG : rot -64:sc= -3.24! USER MOD Set 1.6: A 159 THR OG1 : rot 104:sc= -1.87! USER MOD Set 2.1: A 149 THR OG1 : rot 170:sc= 0 USER MOD Set 2.2: A 151 THR OG1 : rot 180:sc= -0.948! USER MOD Single : A 126 SER OG : rot -10:sc= 0.851 USER MOD Single : A 128 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 133 SER OG : rot 54:sc= -0.167! USER MOD Single : A 135 THR OG1 : rot -42:sc= -0.749! USER MOD Single : A 137 THR OG1 : rot -153:sc= -1.91 USER MOD Single : A 142 ASN : amide:sc= -1.4! C(o=-1.4!,f=-9.3!) USER MOD Single : A 143 GLN : amide:sc= -3.43! C(o=-3.4!,f=-3!) USER MOD Single : A 148 MET CE :methyl -153:sc= -0.0609 (180deg=-1.05) USER MOD Single : A 155 THR OG1 : rot 174:sc= -1.67 USER MOD Single : A 158 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 211 N SER A 126 8.426 3.961 0.274 1.00 0.00 N ATOM 212 CA SER A 126 9.072 3.363 1.478 1.00 0.00 C ATOM 213 C SER A 126 10.524 3.827 1.584 1.00 0.00 C ATOM 214 O SER A 126 11.262 3.819 0.619 1.00 0.00 O ATOM 215 CB SER A 126 9.009 1.851 1.259 1.00 0.00 C ATOM 216 OG SER A 126 8.164 1.564 0.153 1.00 0.00 O ATOM 0 HA SER A 126 8.574 3.661 2.401 1.00 0.00 H new ATOM 0 HB2 SER A 126 10.009 1.458 1.077 1.00 0.00 H new ATOM 0 HB3 SER A 126 8.631 1.359 2.155 1.00 0.00 H new ATOM 0 HG SER A 126 7.685 2.377 -0.113 1.00 0.00 H new ATOM 222 N PHE A 127 10.940 4.230 2.751 1.00 0.00 N ATOM 223 CA PHE A 127 12.344 4.694 2.926 1.00 0.00 C ATOM 224 C PHE A 127 13.000 3.954 4.094 1.00 0.00 C ATOM 225 O PHE A 127 12.344 3.563 5.040 1.00 0.00 O ATOM 226 CB PHE A 127 12.229 6.188 3.228 1.00 0.00 C ATOM 227 CG PHE A 127 11.321 6.836 2.209 1.00 0.00 C ATOM 228 CD1 PHE A 127 9.934 6.829 2.404 1.00 0.00 C ATOM 229 CD2 PHE A 127 11.865 7.442 1.071 1.00 0.00 C ATOM 230 CE1 PHE A 127 9.092 7.428 1.459 1.00 0.00 C ATOM 231 CE2 PHE A 127 11.023 8.041 0.127 1.00 0.00 C ATOM 232 CZ PHE A 127 9.636 8.034 0.321 1.00 0.00 C ATOM 0 H PHE A 127 10.367 4.258 3.594 1.00 0.00 H new ATOM 0 HA PHE A 127 12.959 4.504 2.046 1.00 0.00 H new ATOM 0 HB2 PHE A 127 11.833 6.338 4.232 1.00 0.00 H new ATOM 0 HB3 PHE A 127 13.215 6.653 3.201 1.00 0.00 H new ATOM 0 HD1 PHE A 127 9.514 6.362 3.283 1.00 0.00 H new ATOM 0 HD2 PHE A 127 12.935 7.447 0.921 1.00 0.00 H new ATOM 0 HE1 PHE A 127 8.022 7.422 1.608 1.00 0.00 H new ATOM 0 HE2 PHE A 127 11.443 8.509 -0.751 1.00 0.00 H new ATOM 0 HZ PHE A 127 8.986 8.496 -0.408 1.00 0.00 H new ATOM 242 N LYS A 128 14.287 3.756 4.037 1.00 0.00 N ATOM 243 CA LYS A 128 14.979 3.042 5.141 1.00 0.00 C ATOM 244 C LYS A 128 16.151 3.881 5.661 1.00 0.00 C ATOM 245 O LYS A 128 16.814 4.573 4.914 1.00 0.00 O ATOM 246 CB LYS A 128 15.473 1.732 4.521 1.00 0.00 C ATOM 247 CG LYS A 128 16.596 1.142 5.380 1.00 0.00 C ATOM 248 CD LYS A 128 16.397 -0.368 5.518 1.00 0.00 C ATOM 249 CE LYS A 128 16.709 -0.796 6.953 1.00 0.00 C ATOM 250 NZ LYS A 128 18.190 -0.939 6.996 1.00 0.00 N ATOM 0 H LYS A 128 14.889 4.059 3.271 1.00 0.00 H new ATOM 0 HA LYS A 128 14.324 2.860 5.993 1.00 0.00 H new ATOM 0 HB2 LYS A 128 14.650 1.022 4.445 1.00 0.00 H new ATOM 0 HB3 LYS A 128 15.834 1.912 3.508 1.00 0.00 H new ATOM 0 HG2 LYS A 128 17.564 1.351 4.925 1.00 0.00 H new ATOM 0 HG3 LYS A 128 16.599 1.610 6.364 1.00 0.00 H new ATOM 0 HD2 LYS A 128 15.372 -0.635 5.263 1.00 0.00 H new ATOM 0 HD3 LYS A 128 17.047 -0.896 4.820 1.00 0.00 H new ATOM 0 HE2 LYS A 128 16.363 -0.053 7.671 1.00 0.00 H new ATOM 0 HE3 LYS A 128 16.214 -1.735 7.202 1.00 0.00 H new ATOM 0 HZ1 LYS A 128 18.483 -1.231 7.950 1.00 0.00 H new ATOM 0 HZ2 LYS A 128 18.490 -1.658 6.307 1.00 0.00 H new ATOM 0 HZ3 LYS A 128 18.634 -0.028 6.761 1.00 0.00 H new ATOM 264 N CYS A 129 16.403 3.826 6.939 1.00 0.00 N ATOM 265 CA CYS A 129 17.522 4.619 7.519 1.00 0.00 C ATOM 266 C CYS A 129 18.792 3.765 7.592 1.00 0.00 C ATOM 267 O CYS A 129 18.758 2.642 8.051 1.00 0.00 O ATOM 268 CB CYS A 129 17.039 4.990 8.919 1.00 0.00 C ATOM 269 SG CYS A 129 18.270 6.017 9.743 1.00 0.00 S ATOM 0 H CYS A 129 15.879 3.263 7.610 1.00 0.00 H new ATOM 0 HA CYS A 129 17.770 5.497 6.923 1.00 0.00 H new ATOM 0 HB2 CYS A 129 16.091 5.524 8.856 1.00 0.00 H new ATOM 0 HB3 CYS A 129 16.858 4.087 9.502 1.00 0.00 H new ATOM 0 HG CYS A 129 18.177 5.858 11.030 1.00 0.00 H new ATOM 274 N PRO A 130 19.874 4.327 7.125 1.00 0.00 N ATOM 275 CA PRO A 130 21.169 3.606 7.127 1.00 0.00 C ATOM 276 C PRO A 130 21.787 3.572 8.532 1.00 0.00 C ATOM 277 O PRO A 130 22.627 2.744 8.824 1.00 0.00 O ATOM 278 CB PRO A 130 22.035 4.428 6.177 1.00 0.00 C ATOM 279 CG PRO A 130 21.448 5.806 6.199 1.00 0.00 C ATOM 280 CD PRO A 130 19.988 5.672 6.554 1.00 0.00 C ATOM 0 HA PRO A 130 21.069 2.564 6.824 1.00 0.00 H new ATOM 0 HB2 PRO A 130 23.075 4.438 6.503 1.00 0.00 H new ATOM 0 HB3 PRO A 130 22.020 4.010 5.170 1.00 0.00 H new ATOM 0 HG2 PRO A 130 21.964 6.431 6.928 1.00 0.00 H new ATOM 0 HG3 PRO A 130 21.564 6.287 5.228 1.00 0.00 H new ATOM 0 HD2 PRO A 130 19.681 6.435 7.270 1.00 0.00 H new ATOM 0 HD3 PRO A 130 19.353 5.786 5.675 1.00 0.00 H new ATOM 288 N VAL A 131 21.392 4.462 9.403 1.00 0.00 N ATOM 289 CA VAL A 131 21.980 4.462 10.774 1.00 0.00 C ATOM 290 C VAL A 131 21.223 3.499 11.693 1.00 0.00 C ATOM 291 O VAL A 131 21.710 2.438 12.027 1.00 0.00 O ATOM 292 CB VAL A 131 21.854 5.905 11.273 1.00 0.00 C ATOM 293 CG1 VAL A 131 21.975 5.940 12.799 1.00 0.00 C ATOM 294 CG2 VAL A 131 22.975 6.749 10.661 1.00 0.00 C ATOM 0 H VAL A 131 20.693 5.184 9.227 1.00 0.00 H new ATOM 0 HA VAL A 131 23.017 4.127 10.767 1.00 0.00 H new ATOM 0 HB VAL A 131 20.883 6.304 10.979 1.00 0.00 H new ATOM 0 HG11 VAL A 131 21.885 6.969 13.148 1.00 0.00 H new ATOM 0 HG12 VAL A 131 21.182 5.336 13.241 1.00 0.00 H new ATOM 0 HG13 VAL A 131 22.944 5.540 13.096 1.00 0.00 H new ATOM 0 HG21 VAL A 131 22.890 7.777 11.013 1.00 0.00 H new ATOM 0 HG22 VAL A 131 23.941 6.342 10.959 1.00 0.00 H new ATOM 0 HG23 VAL A 131 22.893 6.730 9.574 1.00 0.00 H new ATOM 304 N CYS A 132 20.044 3.862 12.116 1.00 0.00 N ATOM 305 CA CYS A 132 19.278 2.959 13.026 1.00 0.00 C ATOM 306 C CYS A 132 18.489 1.916 12.219 1.00 0.00 C ATOM 307 O CYS A 132 17.599 1.263 12.726 1.00 0.00 O ATOM 308 CB CYS A 132 18.360 3.882 13.840 1.00 0.00 C ATOM 309 SG CYS A 132 16.952 4.413 12.842 1.00 0.00 S ATOM 0 H CYS A 132 19.579 4.737 11.875 1.00 0.00 H new ATOM 0 HA CYS A 132 19.930 2.385 13.684 1.00 0.00 H new ATOM 0 HB2 CYS A 132 18.007 3.361 14.730 1.00 0.00 H new ATOM 0 HB3 CYS A 132 18.920 4.752 14.182 1.00 0.00 H new ATOM 0 HG CYS A 132 15.875 3.815 13.258 1.00 0.00 H new ATOM 314 N SER A 133 18.840 1.739 10.970 1.00 0.00 N ATOM 315 CA SER A 133 18.158 0.720 10.107 1.00 0.00 C ATOM 316 C SER A 133 16.634 0.771 10.246 1.00 0.00 C ATOM 317 O SER A 133 15.957 -0.220 10.052 1.00 0.00 O ATOM 318 CB SER A 133 18.689 -0.633 10.584 1.00 0.00 C ATOM 319 OG SER A 133 18.955 -0.578 11.979 1.00 0.00 O ATOM 0 H SER A 133 19.580 2.263 10.503 1.00 0.00 H new ATOM 0 HA SER A 133 18.366 0.905 9.053 1.00 0.00 H new ATOM 0 HB2 SER A 133 17.960 -1.415 10.374 1.00 0.00 H new ATOM 0 HB3 SER A 133 19.598 -0.890 10.040 1.00 0.00 H new ATOM 0 HG SER A 133 18.152 -0.278 12.454 1.00 0.00 H new ATOM 325 N SER A 134 16.083 1.908 10.553 1.00 0.00 N ATOM 326 CA SER A 134 14.601 1.995 10.670 1.00 0.00 C ATOM 327 C SER A 134 13.988 2.096 9.269 1.00 0.00 C ATOM 328 O SER A 134 14.629 1.789 8.285 1.00 0.00 O ATOM 329 CB SER A 134 14.339 3.267 11.466 1.00 0.00 C ATOM 330 OG SER A 134 14.407 2.975 12.856 1.00 0.00 O ATOM 0 H SER A 134 16.589 2.777 10.727 1.00 0.00 H new ATOM 0 HA SER A 134 14.163 1.123 11.156 1.00 0.00 H new ATOM 0 HB2 SER A 134 15.073 4.030 11.207 1.00 0.00 H new ATOM 0 HB3 SER A 134 13.358 3.671 11.215 1.00 0.00 H new ATOM 0 HG SER A 134 14.033 3.723 13.366 1.00 0.00 H new ATOM 336 N THR A 135 12.761 2.527 9.163 1.00 0.00 N ATOM 337 CA THR A 135 12.142 2.641 7.811 1.00 0.00 C ATOM 338 C THR A 135 10.943 3.590 7.834 1.00 0.00 C ATOM 339 O THR A 135 10.427 3.935 8.878 1.00 0.00 O ATOM 340 CB THR A 135 11.696 1.224 7.451 1.00 0.00 C ATOM 341 OG1 THR A 135 12.660 0.292 7.920 1.00 0.00 O ATOM 342 CG2 THR A 135 11.563 1.107 5.932 1.00 0.00 C ATOM 0 H THR A 135 12.165 2.802 9.944 1.00 0.00 H new ATOM 0 HA THR A 135 12.844 3.048 7.083 1.00 0.00 H new ATOM 0 HB THR A 135 10.734 1.012 7.917 1.00 0.00 H new ATOM 0 HG1 THR A 135 13.561 0.637 7.745 1.00 0.00 H new ATOM 0 HG21 THR A 135 11.245 0.098 5.671 1.00 0.00 H new ATOM 0 HG22 THR A 135 10.824 1.824 5.575 1.00 0.00 H new ATOM 0 HG23 THR A 135 12.526 1.316 5.465 1.00 0.00 H new ATOM 350 N PHE A 136 10.501 4.013 6.682 1.00 0.00 N ATOM 351 CA PHE A 136 9.337 4.940 6.618 1.00 0.00 C ATOM 352 C PHE A 136 8.579 4.739 5.303 1.00 0.00 C ATOM 353 O PHE A 136 9.051 4.084 4.396 1.00 0.00 O ATOM 354 CB PHE A 136 9.943 6.342 6.673 1.00 0.00 C ATOM 355 CG PHE A 136 10.956 6.412 7.788 1.00 0.00 C ATOM 356 CD1 PHE A 136 10.538 6.675 9.099 1.00 0.00 C ATOM 357 CD2 PHE A 136 12.314 6.215 7.513 1.00 0.00 C ATOM 358 CE1 PHE A 136 11.479 6.739 10.134 1.00 0.00 C ATOM 359 CE2 PHE A 136 13.255 6.280 8.547 1.00 0.00 C ATOM 360 CZ PHE A 136 12.837 6.543 9.858 1.00 0.00 C ATOM 0 H PHE A 136 10.898 3.755 5.778 1.00 0.00 H new ATOM 0 HA PHE A 136 8.628 4.770 7.428 1.00 0.00 H new ATOM 0 HB2 PHE A 136 10.418 6.582 5.721 1.00 0.00 H new ATOM 0 HB3 PHE A 136 9.159 7.082 6.833 1.00 0.00 H new ATOM 0 HD1 PHE A 136 9.490 6.828 9.311 1.00 0.00 H new ATOM 0 HD2 PHE A 136 12.636 6.013 6.502 1.00 0.00 H new ATOM 0 HE1 PHE A 136 11.157 6.940 11.145 1.00 0.00 H new ATOM 0 HE2 PHE A 136 14.303 6.127 8.334 1.00 0.00 H new ATOM 0 HZ PHE A 136 13.563 6.595 10.656 1.00 0.00 H new ATOM 370 N THR A 137 7.408 5.301 5.195 1.00 0.00 N ATOM 371 CA THR A 137 6.617 5.148 3.940 1.00 0.00 C ATOM 372 C THR A 137 6.054 6.501 3.504 1.00 0.00 C ATOM 373 O THR A 137 6.399 7.532 4.046 1.00 0.00 O ATOM 374 CB THR A 137 5.483 4.187 4.300 1.00 0.00 C ATOM 375 OG1 THR A 137 5.351 4.120 5.713 1.00 0.00 O ATOM 376 CG2 THR A 137 5.796 2.797 3.748 1.00 0.00 C ATOM 0 H THR A 137 6.963 5.861 5.922 1.00 0.00 H new ATOM 0 HA THR A 137 7.221 4.773 3.114 1.00 0.00 H new ATOM 0 HB THR A 137 4.550 4.546 3.865 1.00 0.00 H new ATOM 0 HG1 THR A 137 4.972 3.252 5.965 1.00 0.00 H new ATOM 0 HG21 THR A 137 4.987 2.113 4.005 1.00 0.00 H new ATOM 0 HG22 THR A 137 5.896 2.850 2.664 1.00 0.00 H new ATOM 0 HG23 THR A 137 6.729 2.435 4.181 1.00 0.00 H new ATOM 384 N ASP A 138 5.190 6.508 2.527 1.00 0.00 N ATOM 385 CA ASP A 138 4.608 7.796 2.059 1.00 0.00 C ATOM 386 C ASP A 138 4.026 8.573 3.241 1.00 0.00 C ATOM 387 O ASP A 138 4.163 9.777 3.332 1.00 0.00 O ATOM 388 CB ASP A 138 3.505 7.398 1.079 1.00 0.00 C ATOM 389 CG ASP A 138 2.663 6.274 1.685 1.00 0.00 C ATOM 390 OD1 ASP A 138 3.008 5.123 1.474 1.00 0.00 O ATOM 391 OD2 ASP A 138 1.689 6.583 2.350 1.00 0.00 O ATOM 0 H ASP A 138 4.862 5.678 2.033 1.00 0.00 H new ATOM 0 HA ASP A 138 5.352 8.442 1.593 1.00 0.00 H new ATOM 0 HB2 ASP A 138 2.875 8.259 0.856 1.00 0.00 H new ATOM 0 HB3 ASP A 138 3.943 7.071 0.136 1.00 0.00 H new ATOM 396 N LEU A 139 3.381 7.896 4.154 1.00 0.00 N ATOM 397 CA LEU A 139 2.801 8.606 5.329 1.00 0.00 C ATOM 398 C LEU A 139 3.916 9.296 6.120 1.00 0.00 C ATOM 399 O LEU A 139 3.687 10.257 6.828 1.00 0.00 O ATOM 400 CB LEU A 139 2.132 7.516 6.167 1.00 0.00 C ATOM 401 CG LEU A 139 3.202 6.639 6.822 1.00 0.00 C ATOM 402 CD1 LEU A 139 3.200 6.877 8.334 1.00 0.00 C ATOM 403 CD2 LEU A 139 2.896 5.167 6.538 1.00 0.00 C ATOM 0 H LEU A 139 3.232 6.887 4.137 1.00 0.00 H new ATOM 0 HA LEU A 139 2.089 9.379 5.040 1.00 0.00 H new ATOM 0 HB2 LEU A 139 1.500 7.968 6.932 1.00 0.00 H new ATOM 0 HB3 LEU A 139 1.484 6.906 5.538 1.00 0.00 H new ATOM 0 HG LEU A 139 4.181 6.893 6.415 1.00 0.00 H new ATOM 0 HD11 LEU A 139 3.962 6.253 8.802 1.00 0.00 H new ATOM 0 HD12 LEU A 139 3.415 7.926 8.537 1.00 0.00 H new ATOM 0 HD13 LEU A 139 2.222 6.622 8.741 1.00 0.00 H new ATOM 0 HD21 LEU A 139 3.657 4.541 7.004 1.00 0.00 H new ATOM 0 HD22 LEU A 139 1.918 4.913 6.946 1.00 0.00 H new ATOM 0 HD23 LEU A 139 2.895 4.997 5.461 1.00 0.00 H new ATOM 415 N GLU A 140 5.124 8.817 5.996 1.00 0.00 N ATOM 416 CA GLU A 140 6.258 9.447 6.728 1.00 0.00 C ATOM 417 C GLU A 140 7.070 10.317 5.768 1.00 0.00 C ATOM 418 O GLU A 140 7.929 11.076 6.172 1.00 0.00 O ATOM 419 CB GLU A 140 7.101 8.279 7.239 1.00 0.00 C ATOM 420 CG GLU A 140 6.289 7.462 8.245 1.00 0.00 C ATOM 421 CD GLU A 140 7.122 7.228 9.506 1.00 0.00 C ATOM 422 OE1 GLU A 140 7.420 8.198 10.185 1.00 0.00 O ATOM 423 OE2 GLU A 140 7.448 6.083 9.773 1.00 0.00 O ATOM 0 H GLU A 140 5.374 8.015 5.418 1.00 0.00 H new ATOM 0 HA GLU A 140 5.924 10.089 7.543 1.00 0.00 H new ATOM 0 HB2 GLU A 140 7.408 7.647 6.406 1.00 0.00 H new ATOM 0 HB3 GLU A 140 8.011 8.652 7.709 1.00 0.00 H new ATOM 0 HG2 GLU A 140 5.368 7.988 8.497 1.00 0.00 H new ATOM 0 HG3 GLU A 140 6.000 6.507 7.805 1.00 0.00 H new ATOM 430 N ALA A 141 6.801 10.213 4.495 1.00 0.00 N ATOM 431 CA ALA A 141 7.549 11.033 3.501 1.00 0.00 C ATOM 432 C ALA A 141 7.058 12.481 3.540 1.00 0.00 C ATOM 433 O ALA A 141 7.787 13.402 3.231 1.00 0.00 O ATOM 434 CB ALA A 141 7.237 10.391 2.148 1.00 0.00 C ATOM 0 H ALA A 141 6.093 9.594 4.100 1.00 0.00 H new ATOM 0 HA ALA A 141 8.620 11.057 3.701 1.00 0.00 H new ATOM 0 HB1 ALA A 141 7.752 10.938 1.358 1.00 0.00 H new ATOM 0 HB2 ALA A 141 7.574 9.354 2.151 1.00 0.00 H new ATOM 0 HB3 ALA A 141 6.162 10.423 1.969 1.00 0.00 H new ATOM 440 N ASN A 142 5.828 12.690 3.921 1.00 0.00 N ATOM 441 CA ASN A 142 5.292 14.080 3.983 1.00 0.00 C ATOM 442 C ASN A 142 5.545 14.679 5.369 1.00 0.00 C ATOM 443 O ASN A 142 5.142 15.788 5.658 1.00 0.00 O ATOM 444 CB ASN A 142 3.792 13.942 3.721 1.00 0.00 C ATOM 445 CG ASN A 142 3.183 12.965 4.730 1.00 0.00 C ATOM 446 OD1 ASN A 142 3.849 12.063 5.197 1.00 0.00 O ATOM 447 ND2 ASN A 142 1.935 13.107 5.085 1.00 0.00 N ATOM 0 H ASN A 142 5.171 11.959 4.192 1.00 0.00 H new ATOM 0 HA ASN A 142 5.769 14.740 3.259 1.00 0.00 H new ATOM 0 HB2 ASN A 142 3.307 14.915 3.803 1.00 0.00 H new ATOM 0 HB3 ASN A 142 3.621 13.585 2.705 1.00 0.00 H new ATOM 0 HD21 ASN A 142 1.519 12.460 5.755 1.00 0.00 H new ATOM 0 HD22 ASN A 142 1.376 13.865 4.693 1.00 0.00 H new ATOM 454 N GLN A 143 6.208 13.954 6.228 1.00 0.00 N ATOM 455 CA GLN A 143 6.485 14.485 7.593 1.00 0.00 C ATOM 456 C GLN A 143 7.990 14.449 7.882 1.00 0.00 C ATOM 457 O GLN A 143 8.495 15.209 8.684 1.00 0.00 O ATOM 458 CB GLN A 143 5.729 13.553 8.544 1.00 0.00 C ATOM 459 CG GLN A 143 6.489 12.232 8.691 1.00 0.00 C ATOM 460 CD GLN A 143 5.667 11.259 9.538 1.00 0.00 C ATOM 461 OE1 GLN A 143 6.194 10.599 10.411 1.00 0.00 O ATOM 462 NE2 GLN A 143 4.386 11.142 9.315 1.00 0.00 N ATOM 0 H GLN A 143 6.569 13.018 6.044 1.00 0.00 H new ATOM 0 HA GLN A 143 6.168 15.522 7.704 1.00 0.00 H new ATOM 0 HB2 GLN A 143 5.615 14.028 9.519 1.00 0.00 H new ATOM 0 HB3 GLN A 143 4.726 13.365 8.162 1.00 0.00 H new ATOM 0 HG2 GLN A 143 6.683 11.801 7.709 1.00 0.00 H new ATOM 0 HG3 GLN A 143 7.458 12.408 9.158 1.00 0.00 H new ATOM 0 HE21 GLN A 143 3.943 11.696 8.582 1.00 0.00 H new ATOM 0 HE22 GLN A 143 3.828 10.496 9.874 1.00 0.00 H new ATOM 471 N LEU A 144 8.710 13.574 7.235 1.00 0.00 N ATOM 472 CA LEU A 144 10.179 13.494 7.476 1.00 0.00 C ATOM 473 C LEU A 144 10.930 14.337 6.443 1.00 0.00 C ATOM 474 O LEU A 144 12.057 14.740 6.655 1.00 0.00 O ATOM 475 CB LEU A 144 10.527 12.013 7.311 1.00 0.00 C ATOM 476 CG LEU A 144 9.793 11.196 8.376 1.00 0.00 C ATOM 477 CD1 LEU A 144 10.131 9.714 8.206 1.00 0.00 C ATOM 478 CD2 LEU A 144 10.233 11.661 9.766 1.00 0.00 C ATOM 0 H LEU A 144 8.345 12.912 6.551 1.00 0.00 H new ATOM 0 HA LEU A 144 10.457 13.872 8.460 1.00 0.00 H new ATOM 0 HB2 LEU A 144 10.244 11.671 6.316 1.00 0.00 H new ATOM 0 HB3 LEU A 144 11.603 11.869 7.404 1.00 0.00 H new ATOM 0 HG LEU A 144 8.718 11.339 8.266 1.00 0.00 H new ATOM 0 HD11 LEU A 144 9.608 9.132 8.965 1.00 0.00 H new ATOM 0 HD12 LEU A 144 9.820 9.381 7.216 1.00 0.00 H new ATOM 0 HD13 LEU A 144 11.206 9.571 8.316 1.00 0.00 H new ATOM 0 HD21 LEU A 144 9.711 11.080 10.526 1.00 0.00 H new ATOM 0 HD22 LEU A 144 11.308 11.517 9.874 1.00 0.00 H new ATOM 0 HD23 LEU A 144 9.994 12.717 9.889 1.00 0.00 H new ATOM 490 N PHE A 145 10.314 14.604 5.325 1.00 0.00 N ATOM 491 CA PHE A 145 10.989 15.418 4.272 1.00 0.00 C ATOM 492 C PHE A 145 11.400 16.784 4.830 1.00 0.00 C ATOM 493 O PHE A 145 10.705 17.375 5.631 1.00 0.00 O ATOM 494 CB PHE A 145 9.939 15.582 3.173 1.00 0.00 C ATOM 495 CG PHE A 145 10.603 16.088 1.915 1.00 0.00 C ATOM 496 CD1 PHE A 145 11.609 15.333 1.301 1.00 0.00 C ATOM 497 CD2 PHE A 145 10.211 17.314 1.362 1.00 0.00 C ATOM 498 CE1 PHE A 145 12.223 15.802 0.135 1.00 0.00 C ATOM 499 CE2 PHE A 145 10.826 17.783 0.195 1.00 0.00 C ATOM 500 CZ PHE A 145 11.832 17.027 -0.419 1.00 0.00 C ATOM 0 H PHE A 145 9.370 14.294 5.093 1.00 0.00 H new ATOM 0 HA PHE A 145 11.899 14.944 3.905 1.00 0.00 H new ATOM 0 HB2 PHE A 145 9.448 14.629 2.979 1.00 0.00 H new ATOM 0 HB3 PHE A 145 9.166 16.280 3.495 1.00 0.00 H new ATOM 0 HD1 PHE A 145 11.911 14.388 1.728 1.00 0.00 H new ATOM 0 HD2 PHE A 145 9.435 17.897 1.836 1.00 0.00 H new ATOM 0 HE1 PHE A 145 12.999 15.219 -0.338 1.00 0.00 H new ATOM 0 HE2 PHE A 145 10.524 18.728 -0.232 1.00 0.00 H new ATOM 0 HZ PHE A 145 12.306 17.389 -1.319 1.00 0.00 H new ATOM 510 N ASP A 146 12.528 17.288 4.405 1.00 0.00 N ATOM 511 CA ASP A 146 12.992 18.616 4.901 1.00 0.00 C ATOM 512 C ASP A 146 13.658 19.394 3.761 1.00 0.00 C ATOM 513 O ASP A 146 14.541 18.887 3.098 1.00 0.00 O ATOM 514 CB ASP A 146 14.007 18.298 5.999 1.00 0.00 C ATOM 515 CG ASP A 146 13.276 18.100 7.329 1.00 0.00 C ATOM 516 OD1 ASP A 146 12.468 17.190 7.410 1.00 0.00 O ATOM 517 OD2 ASP A 146 13.541 18.861 8.245 1.00 0.00 O ATOM 0 H ASP A 146 13.149 16.836 3.734 1.00 0.00 H new ATOM 0 HA ASP A 146 12.173 19.231 5.274 1.00 0.00 H new ATOM 0 HB2 ASP A 146 14.567 17.399 5.742 1.00 0.00 H new ATOM 0 HB3 ASP A 146 14.730 19.109 6.087 1.00 0.00 H new ATOM 522 N PRO A 147 13.207 20.606 3.568 1.00 0.00 N ATOM 523 CA PRO A 147 13.765 21.463 2.492 1.00 0.00 C ATOM 524 C PRO A 147 15.166 21.957 2.862 1.00 0.00 C ATOM 525 O PRO A 147 15.799 22.675 2.112 1.00 0.00 O ATOM 526 CB PRO A 147 12.781 22.628 2.418 1.00 0.00 C ATOM 527 CG PRO A 147 12.146 22.686 3.771 1.00 0.00 C ATOM 528 CD PRO A 147 12.149 21.284 4.323 1.00 0.00 C ATOM 0 HA PRO A 147 13.874 20.938 1.543 1.00 0.00 H new ATOM 0 HB2 PRO A 147 13.292 23.561 2.182 1.00 0.00 H new ATOM 0 HB3 PRO A 147 12.036 22.466 1.639 1.00 0.00 H new ATOM 0 HG2 PRO A 147 12.698 23.359 4.427 1.00 0.00 H new ATOM 0 HG3 PRO A 147 11.128 23.071 3.703 1.00 0.00 H new ATOM 0 HD2 PRO A 147 12.356 21.277 5.393 1.00 0.00 H new ATOM 0 HD3 PRO A 147 11.184 20.798 4.182 1.00 0.00 H new ATOM 536 N MET A 148 15.658 21.581 4.010 1.00 0.00 N ATOM 537 CA MET A 148 17.019 22.033 4.421 1.00 0.00 C ATOM 538 C MET A 148 18.091 21.172 3.746 1.00 0.00 C ATOM 539 O MET A 148 19.197 21.615 3.508 1.00 0.00 O ATOM 540 CB MET A 148 17.058 21.848 5.937 1.00 0.00 C ATOM 541 CG MET A 148 17.105 20.357 6.270 1.00 0.00 C ATOM 542 SD MET A 148 16.568 20.104 7.980 1.00 0.00 S ATOM 543 CE MET A 148 17.762 21.218 8.761 1.00 0.00 C ATOM 0 H MET A 148 15.178 20.981 4.681 1.00 0.00 H new ATOM 0 HA MET A 148 17.215 23.066 4.132 1.00 0.00 H new ATOM 0 HB2 MET A 148 17.931 22.352 6.353 1.00 0.00 H new ATOM 0 HB3 MET A 148 16.179 22.305 6.392 1.00 0.00 H new ATOM 0 HG2 MET A 148 16.461 19.801 5.589 1.00 0.00 H new ATOM 0 HG3 MET A 148 18.117 19.975 6.135 1.00 0.00 H new ATOM 0 HE1 MET A 148 17.953 20.888 9.782 1.00 0.00 H new ATOM 0 HE2 MET A 148 18.694 21.207 8.195 1.00 0.00 H new ATOM 0 HE3 MET A 148 17.359 22.231 8.776 1.00 0.00 H new ATOM 553 N THR A 149 17.775 19.944 3.436 1.00 0.00 N ATOM 554 CA THR A 149 18.779 19.061 2.776 1.00 0.00 C ATOM 555 C THR A 149 18.235 18.542 1.442 1.00 0.00 C ATOM 556 O THR A 149 18.981 18.253 0.527 1.00 0.00 O ATOM 557 CB THR A 149 18.999 17.908 3.758 1.00 0.00 C ATOM 558 OG1 THR A 149 19.914 16.977 3.199 1.00 0.00 O ATOM 559 CG2 THR A 149 17.667 17.214 4.041 1.00 0.00 C ATOM 0 H THR A 149 16.867 19.514 3.611 1.00 0.00 H new ATOM 0 HA THR A 149 19.708 19.586 2.552 1.00 0.00 H new ATOM 0 HB THR A 149 19.406 18.299 4.691 1.00 0.00 H new ATOM 0 HG1 THR A 149 20.179 16.328 3.883 1.00 0.00 H new ATOM 0 HG21 THR A 149 17.826 16.393 4.740 1.00 0.00 H new ATOM 0 HG22 THR A 149 16.969 17.930 4.474 1.00 0.00 H new ATOM 0 HG23 THR A 149 17.255 16.823 3.110 1.00 0.00 H new ATOM 567 N GLY A 150 16.941 18.429 1.321 1.00 0.00 N ATOM 568 CA GLY A 150 16.351 17.936 0.044 1.00 0.00 C ATOM 569 C GLY A 150 16.117 16.426 0.128 1.00 0.00 C ATOM 570 O GLY A 150 16.231 15.716 -0.850 1.00 0.00 O ATOM 0 H GLY A 150 16.266 18.657 2.051 1.00 0.00 H new ATOM 0 HA2 GLY A 150 15.409 18.448 -0.154 1.00 0.00 H new ATOM 0 HA3 GLY A 150 17.018 18.164 -0.787 1.00 0.00 H new ATOM 574 N THR A 151 15.790 15.930 1.289 1.00 0.00 N ATOM 575 CA THR A 151 15.549 14.465 1.434 1.00 0.00 C ATOM 576 C THR A 151 14.730 14.186 2.698 1.00 0.00 C ATOM 577 O THR A 151 14.376 15.090 3.429 1.00 0.00 O ATOM 578 CB THR A 151 16.942 13.840 1.549 1.00 0.00 C ATOM 579 OG1 THR A 151 17.916 14.773 1.099 1.00 0.00 O ATOM 580 CG2 THR A 151 17.010 12.575 0.693 1.00 0.00 C ATOM 0 H THR A 151 15.679 16.475 2.144 1.00 0.00 H new ATOM 0 HA THR A 151 14.988 14.055 0.594 1.00 0.00 H new ATOM 0 HB THR A 151 17.139 13.581 2.589 1.00 0.00 H new ATOM 0 HG1 THR A 151 18.809 14.375 1.173 1.00 0.00 H new ATOM 0 HG21 THR A 151 18.002 12.132 0.777 1.00 0.00 H new ATOM 0 HG22 THR A 151 16.263 11.861 1.040 1.00 0.00 H new ATOM 0 HG23 THR A 151 16.813 12.829 -0.348 1.00 0.00 H new ATOM 588 N PHE A 152 14.430 12.944 2.964 1.00 0.00 N ATOM 589 CA PHE A 152 13.638 12.617 4.184 1.00 0.00 C ATOM 590 C PHE A 152 14.581 12.301 5.347 1.00 0.00 C ATOM 591 O PHE A 152 15.480 11.491 5.228 1.00 0.00 O ATOM 592 CB PHE A 152 12.816 11.383 3.810 1.00 0.00 C ATOM 593 CG PHE A 152 12.025 11.669 2.555 1.00 0.00 C ATOM 594 CD1 PHE A 152 12.612 11.472 1.300 1.00 0.00 C ATOM 595 CD2 PHE A 152 10.708 12.131 2.648 1.00 0.00 C ATOM 596 CE1 PHE A 152 11.880 11.736 0.135 1.00 0.00 C ATOM 597 CE2 PHE A 152 9.975 12.396 1.484 1.00 0.00 C ATOM 598 CZ PHE A 152 10.561 12.199 0.228 1.00 0.00 C ATOM 0 H PHE A 152 14.698 12.144 2.391 1.00 0.00 H new ATOM 0 HA PHE A 152 13.003 13.444 4.500 1.00 0.00 H new ATOM 0 HB2 PHE A 152 13.474 10.528 3.652 1.00 0.00 H new ATOM 0 HB3 PHE A 152 12.142 11.120 4.626 1.00 0.00 H new ATOM 0 HD1 PHE A 152 13.629 11.116 1.230 1.00 0.00 H new ATOM 0 HD2 PHE A 152 10.256 12.283 3.617 1.00 0.00 H new ATOM 0 HE1 PHE A 152 12.332 11.583 -0.834 1.00 0.00 H new ATOM 0 HE2 PHE A 152 8.958 12.752 1.556 1.00 0.00 H new ATOM 0 HZ PHE A 152 9.996 12.404 -0.669 1.00 0.00 H new ATOM 608 N ARG A 153 14.391 12.938 6.469 1.00 0.00 N ATOM 609 CA ARG A 153 15.283 12.677 7.632 1.00 0.00 C ATOM 610 C ARG A 153 14.619 11.705 8.612 1.00 0.00 C ATOM 611 O ARG A 153 13.433 11.776 8.866 1.00 0.00 O ATOM 612 CB ARG A 153 15.490 14.044 8.287 1.00 0.00 C ATOM 613 CG ARG A 153 16.708 14.729 7.664 1.00 0.00 C ATOM 614 CD ARG A 153 17.616 15.270 8.771 1.00 0.00 C ATOM 615 NE ARG A 153 18.913 15.555 8.096 1.00 0.00 N ATOM 616 CZ ARG A 153 19.992 15.742 8.807 1.00 0.00 C ATOM 617 NH1 ARG A 153 19.928 16.412 9.925 1.00 0.00 N ATOM 618 NH2 ARG A 153 21.134 15.260 8.401 1.00 0.00 N ATOM 0 H ARG A 153 13.657 13.628 6.630 1.00 0.00 H new ATOM 0 HA ARG A 153 16.226 12.221 7.331 1.00 0.00 H new ATOM 0 HB2 ARG A 153 14.603 14.662 8.151 1.00 0.00 H new ATOM 0 HB3 ARG A 153 15.635 13.926 9.361 1.00 0.00 H new ATOM 0 HG2 ARG A 153 17.257 14.022 7.043 1.00 0.00 H new ATOM 0 HG3 ARG A 153 16.387 15.542 7.013 1.00 0.00 H new ATOM 0 HD2 ARG A 153 17.198 16.171 9.220 1.00 0.00 H new ATOM 0 HD3 ARG A 153 17.739 14.542 9.573 1.00 0.00 H new ATOM 0 HE ARG A 153 18.958 15.604 7.078 1.00 0.00 H new ATOM 0 HH11 ARG A 153 19.035 16.789 10.243 1.00 0.00 H new ATOM 0 HH12 ARG A 153 20.771 16.558 10.481 1.00 0.00 H new ATOM 0 HH21 ARG A 153 21.185 14.736 7.527 1.00 0.00 H new ATOM 0 HH22 ARG A 153 21.976 15.407 8.957 1.00 0.00 H new ATOM 632 N CYS A 154 15.382 10.804 9.165 1.00 0.00 N ATOM 633 CA CYS A 154 14.815 9.825 10.136 1.00 0.00 C ATOM 634 C CYS A 154 13.927 10.551 11.151 1.00 0.00 C ATOM 635 O CYS A 154 13.837 11.762 11.154 1.00 0.00 O ATOM 636 CB CYS A 154 16.042 9.231 10.821 1.00 0.00 C ATOM 637 SG CYS A 154 15.592 7.743 11.740 1.00 0.00 S ATOM 0 H CYS A 154 16.381 10.703 8.985 1.00 0.00 H new ATOM 0 HA CYS A 154 14.194 9.064 9.663 1.00 0.00 H new ATOM 0 HB2 CYS A 154 16.801 8.991 10.077 1.00 0.00 H new ATOM 0 HB3 CYS A 154 16.480 9.965 11.497 1.00 0.00 H new ATOM 0 HG CYS A 154 16.337 6.751 11.351 1.00 0.00 H new ATOM 642 N THR A 155 13.266 9.827 12.013 1.00 0.00 N ATOM 643 CA THR A 155 12.385 10.495 13.015 1.00 0.00 C ATOM 644 C THR A 155 12.881 10.230 14.439 1.00 0.00 C ATOM 645 O THR A 155 12.526 10.930 15.366 1.00 0.00 O ATOM 646 CB THR A 155 10.997 9.882 12.806 1.00 0.00 C ATOM 647 OG1 THR A 155 11.024 9.003 11.689 1.00 0.00 O ATOM 648 CG2 THR A 155 9.983 10.999 12.552 1.00 0.00 C ATOM 0 H THR A 155 13.297 8.809 12.068 1.00 0.00 H new ATOM 0 HA THR A 155 12.376 11.577 12.886 1.00 0.00 H new ATOM 0 HB THR A 155 10.710 9.323 13.697 1.00 0.00 H new ATOM 0 HG1 THR A 155 10.165 8.536 11.620 1.00 0.00 H new ATOM 0 HG21 THR A 155 8.994 10.566 12.403 1.00 0.00 H new ATOM 0 HG22 THR A 155 9.959 11.671 13.410 1.00 0.00 H new ATOM 0 HG23 THR A 155 10.272 11.558 11.662 1.00 0.00 H new ATOM 656 N PHE A 156 13.703 9.232 14.625 1.00 0.00 N ATOM 657 CA PHE A 156 14.215 8.944 15.997 1.00 0.00 C ATOM 658 C PHE A 156 15.721 9.201 16.058 1.00 0.00 C ATOM 659 O PHE A 156 16.231 9.728 17.027 1.00 0.00 O ATOM 660 CB PHE A 156 13.904 7.467 16.305 1.00 0.00 C ATOM 661 CG PHE A 156 13.376 6.743 15.086 1.00 0.00 C ATOM 662 CD1 PHE A 156 14.241 6.403 14.044 1.00 0.00 C ATOM 663 CD2 PHE A 156 12.016 6.418 15.002 1.00 0.00 C ATOM 664 CE1 PHE A 156 13.750 5.739 12.917 1.00 0.00 C ATOM 665 CE2 PHE A 156 11.525 5.751 13.875 1.00 0.00 C ATOM 666 CZ PHE A 156 12.393 5.412 12.830 1.00 0.00 C ATOM 0 H PHE A 156 14.040 8.608 13.892 1.00 0.00 H new ATOM 0 HA PHE A 156 13.738 9.591 16.733 1.00 0.00 H new ATOM 0 HB2 PHE A 156 14.807 6.971 16.661 1.00 0.00 H new ATOM 0 HB3 PHE A 156 13.171 7.409 17.109 1.00 0.00 H new ATOM 0 HD1 PHE A 156 15.290 6.653 14.109 1.00 0.00 H new ATOM 0 HD2 PHE A 156 11.347 6.682 15.807 1.00 0.00 H new ATOM 0 HE1 PHE A 156 14.420 5.478 12.111 1.00 0.00 H new ATOM 0 HE2 PHE A 156 10.477 5.498 13.811 1.00 0.00 H new ATOM 0 HZ PHE A 156 12.015 4.899 11.958 1.00 0.00 H new ATOM 676 N CYS A 157 16.434 8.850 15.027 1.00 0.00 N ATOM 677 CA CYS A 157 17.903 9.094 15.025 1.00 0.00 C ATOM 678 C CYS A 157 18.240 10.147 13.952 1.00 0.00 C ATOM 679 O CYS A 157 19.369 10.295 13.527 1.00 0.00 O ATOM 680 CB CYS A 157 18.533 7.710 14.770 1.00 0.00 C ATOM 681 SG CYS A 157 19.101 7.527 13.059 1.00 0.00 S ATOM 0 H CYS A 157 16.065 8.405 14.186 1.00 0.00 H new ATOM 0 HA CYS A 157 18.292 9.504 15.957 1.00 0.00 H new ATOM 0 HB2 CYS A 157 19.373 7.564 15.449 1.00 0.00 H new ATOM 0 HB3 CYS A 157 17.803 6.932 14.995 1.00 0.00 H new ATOM 0 HG CYS A 157 18.080 7.577 12.255 1.00 0.00 H new ATOM 686 N HIS A 158 17.243 10.890 13.545 1.00 0.00 N ATOM 687 CA HIS A 158 17.418 11.975 12.530 1.00 0.00 C ATOM 688 C HIS A 158 18.504 11.664 11.491 1.00 0.00 C ATOM 689 O HIS A 158 19.113 12.562 10.945 1.00 0.00 O ATOM 690 CB HIS A 158 17.795 13.209 13.348 1.00 0.00 C ATOM 691 CG HIS A 158 16.550 13.793 13.958 1.00 0.00 C ATOM 692 ND1 HIS A 158 15.869 14.854 13.381 1.00 0.00 N ATOM 693 CD2 HIS A 158 15.842 13.464 15.087 1.00 0.00 C ATOM 694 CE1 HIS A 158 14.803 15.122 14.157 1.00 0.00 C ATOM 695 NE2 HIS A 158 14.740 14.304 15.212 1.00 0.00 N ATOM 0 H HIS A 158 16.287 10.787 13.884 1.00 0.00 H new ATOM 0 HA HIS A 158 16.507 12.106 11.946 1.00 0.00 H new ATOM 0 HB2 HIS A 158 18.506 12.940 14.129 1.00 0.00 H new ATOM 0 HB3 HIS A 158 18.284 13.947 12.712 1.00 0.00 H new ATOM 0 HD2 HIS A 158 16.101 12.672 15.775 1.00 0.00 H new ATOM 0 HE1 HIS A 158 14.086 15.903 13.952 1.00 0.00 H new ATOM 0 HE2 HIS A 158 14.036 14.297 15.950 1.00 0.00 H new ATOM 703 N THR A 159 18.738 10.421 11.181 1.00 0.00 N ATOM 704 CA THR A 159 19.766 10.115 10.143 1.00 0.00 C ATOM 705 C THR A 159 19.121 10.180 8.756 1.00 0.00 C ATOM 706 O THR A 159 17.974 9.823 8.578 1.00 0.00 O ATOM 707 CB THR A 159 20.243 8.693 10.444 1.00 0.00 C ATOM 708 OG1 THR A 159 21.088 8.705 11.588 1.00 0.00 O ATOM 709 CG2 THR A 159 21.021 8.145 9.242 1.00 0.00 C ATOM 0 H THR A 159 18.271 9.613 11.593 1.00 0.00 H new ATOM 0 HA THR A 159 20.595 10.823 10.157 1.00 0.00 H new ATOM 0 HB THR A 159 19.379 8.058 10.637 1.00 0.00 H new ATOM 0 HG1 THR A 159 20.597 8.356 12.361 1.00 0.00 H new ATOM 0 HG21 THR A 159 21.360 7.132 9.459 1.00 0.00 H new ATOM 0 HG22 THR A 159 20.374 8.131 8.365 1.00 0.00 H new ATOM 0 HG23 THR A 159 21.884 8.782 9.046 1.00 0.00 H new ATOM 717 N GLU A 160 19.845 10.631 7.770 1.00 0.00 N ATOM 718 CA GLU A 160 19.263 10.710 6.400 1.00 0.00 C ATOM 719 C GLU A 160 18.796 9.325 5.941 1.00 0.00 C ATOM 720 O GLU A 160 19.548 8.371 5.951 1.00 0.00 O ATOM 721 CB GLU A 160 20.402 11.213 5.515 1.00 0.00 C ATOM 722 CG GLU A 160 19.834 12.125 4.425 1.00 0.00 C ATOM 723 CD GLU A 160 20.333 13.554 4.646 1.00 0.00 C ATOM 724 OE1 GLU A 160 19.940 14.152 5.635 1.00 0.00 O ATOM 725 OE2 GLU A 160 21.099 14.026 3.822 1.00 0.00 O ATOM 0 H GLU A 160 20.811 10.947 7.852 1.00 0.00 H new ATOM 0 HA GLU A 160 18.394 11.366 6.358 1.00 0.00 H new ATOM 0 HB2 GLU A 160 21.131 11.756 6.116 1.00 0.00 H new ATOM 0 HB3 GLU A 160 20.926 10.370 5.063 1.00 0.00 H new ATOM 0 HG2 GLU A 160 20.141 11.769 3.442 1.00 0.00 H new ATOM 0 HG3 GLU A 160 18.744 12.101 4.447 1.00 0.00 H new ATOM 732 N VAL A 161 17.559 9.207 5.535 1.00 0.00 N ATOM 733 CA VAL A 161 17.046 7.884 5.075 1.00 0.00 C ATOM 734 C VAL A 161 17.082 7.803 3.546 1.00 0.00 C ATOM 735 O VAL A 161 17.232 8.799 2.865 1.00 0.00 O ATOM 736 CB VAL A 161 15.603 7.818 5.576 1.00 0.00 C ATOM 737 CG1 VAL A 161 15.561 8.135 7.071 1.00 0.00 C ATOM 738 CG2 VAL A 161 14.754 8.839 4.817 1.00 0.00 C ATOM 0 H VAL A 161 16.882 9.970 5.502 1.00 0.00 H new ATOM 0 HA VAL A 161 17.648 7.058 5.453 1.00 0.00 H new ATOM 0 HB VAL A 161 15.209 6.816 5.408 1.00 0.00 H new ATOM 0 HG11 VAL A 161 14.531 8.087 7.424 1.00 0.00 H new ATOM 0 HG12 VAL A 161 16.165 7.408 7.614 1.00 0.00 H new ATOM 0 HG13 VAL A 161 15.957 9.136 7.242 1.00 0.00 H new ATOM 0 HG21 VAL A 161 13.725 8.793 5.173 1.00 0.00 H new ATOM 0 HG22 VAL A 161 15.152 9.840 4.985 1.00 0.00 H new ATOM 0 HG23 VAL A 161 14.779 8.613 3.751 1.00 0.00 H new ATOM 748 N GLU A 162 16.941 6.625 3.001 1.00 0.00 N ATOM 749 CA GLU A 162 16.962 6.480 1.516 1.00 0.00 C ATOM 750 C GLU A 162 15.831 5.552 1.064 1.00 0.00 C ATOM 751 O GLU A 162 15.504 4.590 1.729 1.00 0.00 O ATOM 752 CB GLU A 162 18.324 5.864 1.196 1.00 0.00 C ATOM 753 CG GLU A 162 19.425 6.657 1.904 1.00 0.00 C ATOM 754 CD GLU A 162 19.613 8.006 1.207 1.00 0.00 C ATOM 755 OE1 GLU A 162 18.660 8.480 0.611 1.00 0.00 O ATOM 756 OE2 GLU A 162 20.707 8.542 1.281 1.00 0.00 O ATOM 0 H GLU A 162 16.812 5.756 3.520 1.00 0.00 H new ATOM 0 HA GLU A 162 16.818 7.431 1.004 1.00 0.00 H new ATOM 0 HB2 GLU A 162 18.348 4.823 1.517 1.00 0.00 H new ATOM 0 HB3 GLU A 162 18.493 5.869 0.119 1.00 0.00 H new ATOM 0 HG2 GLU A 162 19.161 6.810 2.951 1.00 0.00 H new ATOM 0 HG3 GLU A 162 20.359 6.095 1.889 1.00 0.00 H new ATOM 763 N GLU A 163 15.233 5.832 -0.062 1.00 0.00 N ATOM 764 CA GLU A 163 14.123 4.965 -0.553 1.00 0.00 C ATOM 765 C GLU A 163 14.474 3.488 -0.349 1.00 0.00 C ATOM 766 O GLU A 163 15.512 3.022 -0.773 1.00 0.00 O ATOM 767 CB GLU A 163 13.998 5.283 -2.042 1.00 0.00 C ATOM 768 CG GLU A 163 13.217 6.587 -2.223 1.00 0.00 C ATOM 769 CD GLU A 163 12.367 6.503 -3.490 1.00 0.00 C ATOM 770 OE1 GLU A 163 12.884 6.819 -4.549 1.00 0.00 O ATOM 771 OE2 GLU A 163 11.211 6.125 -3.381 1.00 0.00 O ATOM 0 H GLU A 163 15.465 6.623 -0.663 1.00 0.00 H new ATOM 0 HA GLU A 163 13.191 5.148 -0.018 1.00 0.00 H new ATOM 0 HB2 GLU A 163 14.988 5.375 -2.489 1.00 0.00 H new ATOM 0 HB3 GLU A 163 13.490 4.468 -2.557 1.00 0.00 H new ATOM 0 HG2 GLU A 163 12.580 6.765 -1.357 1.00 0.00 H new ATOM 0 HG3 GLU A 163 13.906 7.429 -2.290 1.00 0.00 H new ATOM 778 N ASP A 164 13.615 2.749 0.299 1.00 0.00 N ATOM 779 CA ASP A 164 13.901 1.304 0.529 1.00 0.00 C ATOM 780 C ASP A 164 13.337 0.464 -0.621 1.00 0.00 C ATOM 781 O ASP A 164 12.144 0.424 -0.845 1.00 0.00 O ATOM 782 CB ASP A 164 13.189 0.962 1.838 1.00 0.00 C ATOM 783 CG ASP A 164 13.117 -0.558 1.998 1.00 0.00 C ATOM 784 OD1 ASP A 164 13.966 -1.232 1.439 1.00 0.00 O ATOM 785 OD2 ASP A 164 12.215 -1.021 2.677 1.00 0.00 O ATOM 0 H ASP A 164 12.729 3.083 0.679 1.00 0.00 H new ATOM 0 HA ASP A 164 14.970 1.099 0.580 1.00 0.00 H new ATOM 0 HB2 ASP A 164 13.723 1.402 2.680 1.00 0.00 H new ATOM 0 HB3 ASP A 164 12.185 1.386 1.840 1.00 0.00 H new