USER MOD reduce.3.24.130724 H: found=0, std=0, add=276, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 272 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 129 CYS SG : rot 151:sc= -1.98! USER MOD Set 1.2: A 132 CYS SG : rot 175:sc= -1.18 USER MOD Set 1.3: A 134 SER OG : rot 144:sc= 1.41 USER MOD Set 1.4: A 154 CYS SG : rot -173:sc= -6.04! USER MOD Set 1.5: A 157 CYS SG : rot 59:sc= -3.61! USER MOD Set 1.6: A 159 THR OG1 : rot -47:sc= -1.81! USER MOD Set 2.1: A 149 THR OG1 : rot -50:sc= 0.941 USER MOD Set 2.2: A 151 THR OG1 : rot 105:sc= 0.524! USER MOD Set 3.1: A 128 LYS NZ :NH3+ -113:sc= 0.26 (180deg=0) USER MOD Set 3.2: A 135 THR OG1 : rot 120:sc= -0.587! USER MOD Single : A 126 SER OG : rot 180:sc= 0 USER MOD Single : A 133 SER OG : rot 61:sc= -0.574! USER MOD Single : A 137 THR OG1 : rot -170:sc=-0.00532 USER MOD Single : A 142 ASN : amide:sc= 0.437 X(o=0.44,f=0) USER MOD Single : A 143 GLN : amide:sc= -1.05 K(o=-1.1,f=-2.3!) USER MOD Single : A 148 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 155 THR OG1 : rot -150:sc= -1.16 USER MOD Single : A 158 HIS : no HD1:sc= -0.263 X(o=-0.26,f=-0.0015) USER MOD ----------------------------------------------------------------- ATOM 211 N SER A 126 8.747 3.968 0.407 1.00 0.00 N ATOM 212 CA SER A 126 9.338 3.337 1.619 1.00 0.00 C ATOM 213 C SER A 126 10.798 3.763 1.781 1.00 0.00 C ATOM 214 O SER A 126 11.655 3.382 1.008 1.00 0.00 O ATOM 215 CB SER A 126 9.247 1.833 1.370 1.00 0.00 C ATOM 216 OG SER A 126 10.086 1.152 2.293 1.00 0.00 O ATOM 0 HA SER A 126 8.817 3.632 2.530 1.00 0.00 H new ATOM 0 HB2 SER A 126 8.216 1.496 1.481 1.00 0.00 H new ATOM 0 HB3 SER A 126 9.549 1.603 0.348 1.00 0.00 H new ATOM 0 HG SER A 126 10.028 0.186 2.137 1.00 0.00 H new ATOM 222 N PHE A 127 11.088 4.548 2.779 1.00 0.00 N ATOM 223 CA PHE A 127 12.493 4.995 2.990 1.00 0.00 C ATOM 224 C PHE A 127 13.109 4.254 4.178 1.00 0.00 C ATOM 225 O PHE A 127 12.480 4.074 5.201 1.00 0.00 O ATOM 226 CB PHE A 127 12.397 6.487 3.293 1.00 0.00 C ATOM 227 CG PHE A 127 11.602 7.175 2.209 1.00 0.00 C ATOM 228 CD1 PHE A 127 12.187 7.422 0.962 1.00 0.00 C ATOM 229 CD2 PHE A 127 10.281 7.568 2.453 1.00 0.00 C ATOM 230 CE1 PHE A 127 11.450 8.062 -0.043 1.00 0.00 C ATOM 231 CE2 PHE A 127 9.544 8.208 1.449 1.00 0.00 C ATOM 232 CZ PHE A 127 10.130 8.455 0.201 1.00 0.00 C ATOM 0 H PHE A 127 10.413 4.900 3.458 1.00 0.00 H new ATOM 0 HA PHE A 127 13.121 4.794 2.122 1.00 0.00 H new ATOM 0 HB2 PHE A 127 11.920 6.642 4.261 1.00 0.00 H new ATOM 0 HB3 PHE A 127 13.395 6.920 3.356 1.00 0.00 H new ATOM 0 HD1 PHE A 127 13.207 7.119 0.774 1.00 0.00 H new ATOM 0 HD2 PHE A 127 9.830 7.378 3.416 1.00 0.00 H new ATOM 0 HE1 PHE A 127 11.901 8.252 -1.006 1.00 0.00 H new ATOM 0 HE2 PHE A 127 8.525 8.511 1.637 1.00 0.00 H new ATOM 0 HZ PHE A 127 9.562 8.949 -0.573 1.00 0.00 H new ATOM 242 N LYS A 128 14.333 3.829 4.051 1.00 0.00 N ATOM 243 CA LYS A 128 14.986 3.107 5.172 1.00 0.00 C ATOM 244 C LYS A 128 16.164 3.925 5.707 1.00 0.00 C ATOM 245 O LYS A 128 16.807 4.656 4.980 1.00 0.00 O ATOM 246 CB LYS A 128 15.464 1.784 4.567 1.00 0.00 C ATOM 247 CG LYS A 128 16.565 1.180 5.445 1.00 0.00 C ATOM 248 CD LYS A 128 16.399 -0.341 5.510 1.00 0.00 C ATOM 249 CE LYS A 128 15.821 -0.736 6.872 1.00 0.00 C ATOM 250 NZ LYS A 128 14.395 -1.070 6.602 1.00 0.00 N ATOM 0 H LYS A 128 14.909 3.951 3.218 1.00 0.00 H new ATOM 0 HA LYS A 128 14.312 2.942 6.013 1.00 0.00 H new ATOM 0 HB2 LYS A 128 14.629 1.088 4.485 1.00 0.00 H new ATOM 0 HB3 LYS A 128 15.841 1.950 3.558 1.00 0.00 H new ATOM 0 HG2 LYS A 128 17.545 1.431 5.040 1.00 0.00 H new ATOM 0 HG3 LYS A 128 16.517 1.604 6.448 1.00 0.00 H new ATOM 0 HD2 LYS A 128 15.739 -0.680 4.711 1.00 0.00 H new ATOM 0 HD3 LYS A 128 17.361 -0.829 5.357 1.00 0.00 H new ATOM 0 HE2 LYS A 128 16.353 -1.588 7.295 1.00 0.00 H new ATOM 0 HE3 LYS A 128 15.906 0.080 7.589 1.00 0.00 H new ATOM 0 HZ1 LYS A 128 13.781 -0.368 7.062 1.00 0.00 H new ATOM 0 HZ2 LYS A 128 14.224 -1.060 5.576 1.00 0.00 H new ATOM 0 HZ3 LYS A 128 14.182 -2.016 6.979 1.00 0.00 H new ATOM 264 N CYS A 129 16.444 3.813 6.974 1.00 0.00 N ATOM 265 CA CYS A 129 17.572 4.585 7.561 1.00 0.00 C ATOM 266 C CYS A 129 18.829 3.708 7.643 1.00 0.00 C ATOM 267 O CYS A 129 18.774 2.589 8.113 1.00 0.00 O ATOM 268 CB CYS A 129 17.086 4.972 8.956 1.00 0.00 C ATOM 269 SG CYS A 129 18.323 6.004 9.761 1.00 0.00 S ATOM 0 H CYS A 129 15.938 3.218 7.630 1.00 0.00 H new ATOM 0 HA CYS A 129 17.840 5.457 6.965 1.00 0.00 H new ATOM 0 HB2 CYS A 129 16.140 5.508 8.887 1.00 0.00 H new ATOM 0 HB3 CYS A 129 16.902 4.077 9.550 1.00 0.00 H new ATOM 0 HG CYS A 129 17.738 6.810 10.597 1.00 0.00 H new ATOM 274 N PRO A 130 19.921 4.248 7.168 1.00 0.00 N ATOM 275 CA PRO A 130 21.206 3.505 7.171 1.00 0.00 C ATOM 276 C PRO A 130 21.851 3.505 8.563 1.00 0.00 C ATOM 277 O PRO A 130 22.790 2.776 8.815 1.00 0.00 O ATOM 278 CB PRO A 130 22.068 4.285 6.185 1.00 0.00 C ATOM 279 CG PRO A 130 21.509 5.674 6.181 1.00 0.00 C ATOM 280 CD PRO A 130 20.057 5.586 6.586 1.00 0.00 C ATOM 0 HA PRO A 130 21.081 2.456 6.903 1.00 0.00 H new ATOM 0 HB2 PRO A 130 23.114 4.283 6.491 1.00 0.00 H new ATOM 0 HB3 PRO A 130 22.026 3.842 5.190 1.00 0.00 H new ATOM 0 HG2 PRO A 130 22.061 6.310 6.873 1.00 0.00 H new ATOM 0 HG3 PRO A 130 21.604 6.121 5.192 1.00 0.00 H new ATOM 0 HD2 PRO A 130 19.798 6.361 7.307 1.00 0.00 H new ATOM 0 HD3 PRO A 130 19.397 5.715 5.728 1.00 0.00 H new ATOM 288 N VAL A 131 21.372 4.317 9.468 1.00 0.00 N ATOM 289 CA VAL A 131 21.987 4.348 10.826 1.00 0.00 C ATOM 290 C VAL A 131 21.227 3.434 11.789 1.00 0.00 C ATOM 291 O VAL A 131 21.706 2.383 12.165 1.00 0.00 O ATOM 292 CB VAL A 131 21.907 5.812 11.273 1.00 0.00 C ATOM 293 CG1 VAL A 131 22.003 5.901 12.798 1.00 0.00 C ATOM 294 CG2 VAL A 131 23.070 6.587 10.650 1.00 0.00 C ATOM 0 H VAL A 131 20.588 4.955 9.327 1.00 0.00 H new ATOM 0 HA VAL A 131 23.016 3.988 10.815 1.00 0.00 H new ATOM 0 HB VAL A 131 20.956 6.236 10.950 1.00 0.00 H new ATOM 0 HG11 VAL A 131 21.945 6.945 13.106 1.00 0.00 H new ATOM 0 HG12 VAL A 131 21.181 5.344 13.247 1.00 0.00 H new ATOM 0 HG13 VAL A 131 22.951 5.477 13.128 1.00 0.00 H new ATOM 0 HG21 VAL A 131 23.021 7.630 10.963 1.00 0.00 H new ATOM 0 HG22 VAL A 131 24.014 6.153 10.979 1.00 0.00 H new ATOM 0 HG23 VAL A 131 23.004 6.530 9.563 1.00 0.00 H new ATOM 304 N CYS A 132 20.053 3.822 12.200 1.00 0.00 N ATOM 305 CA CYS A 132 19.288 2.960 13.149 1.00 0.00 C ATOM 306 C CYS A 132 18.487 1.899 12.380 1.00 0.00 C ATOM 307 O CYS A 132 17.608 1.253 12.918 1.00 0.00 O ATOM 308 CB CYS A 132 18.379 3.916 13.927 1.00 0.00 C ATOM 309 SG CYS A 132 17.002 4.451 12.890 1.00 0.00 S ATOM 0 H CYS A 132 19.592 4.689 11.925 1.00 0.00 H new ATOM 0 HA CYS A 132 19.939 2.408 13.828 1.00 0.00 H new ATOM 0 HB2 CYS A 132 17.999 3.421 14.821 1.00 0.00 H new ATOM 0 HB3 CYS A 132 18.951 4.782 14.260 1.00 0.00 H new ATOM 0 HG CYS A 132 16.188 5.182 13.593 1.00 0.00 H new ATOM 314 N SER A 133 18.815 1.697 11.129 1.00 0.00 N ATOM 315 CA SER A 133 18.121 0.661 10.299 1.00 0.00 C ATOM 316 C SER A 133 16.598 0.752 10.418 1.00 0.00 C ATOM 317 O SER A 133 15.902 -0.233 10.274 1.00 0.00 O ATOM 318 CB SER A 133 18.614 -0.690 10.828 1.00 0.00 C ATOM 319 OG SER A 133 18.899 -0.591 12.216 1.00 0.00 O ATOM 0 H SER A 133 19.545 2.213 10.639 1.00 0.00 H new ATOM 0 HA SER A 133 18.348 0.802 9.242 1.00 0.00 H new ATOM 0 HB2 SER A 133 17.857 -1.455 10.657 1.00 0.00 H new ATOM 0 HB3 SER A 133 19.508 -0.999 10.286 1.00 0.00 H new ATOM 0 HG SER A 133 18.084 -0.341 12.700 1.00 0.00 H new ATOM 325 N SER A 134 16.070 1.916 10.655 1.00 0.00 N ATOM 326 CA SER A 134 14.589 2.042 10.749 1.00 0.00 C ATOM 327 C SER A 134 13.997 2.149 9.341 1.00 0.00 C ATOM 328 O SER A 134 14.672 1.907 8.361 1.00 0.00 O ATOM 329 CB SER A 134 14.347 3.329 11.531 1.00 0.00 C ATOM 330 OG SER A 134 14.532 3.079 12.918 1.00 0.00 O ATOM 0 H SER A 134 16.593 2.782 10.787 1.00 0.00 H new ATOM 0 HA SER A 134 14.124 1.184 11.235 1.00 0.00 H new ATOM 0 HB2 SER A 134 15.033 4.106 11.195 1.00 0.00 H new ATOM 0 HB3 SER A 134 13.337 3.695 11.347 1.00 0.00 H new ATOM 0 HG SER A 134 14.942 3.863 13.340 1.00 0.00 H new ATOM 336 N THR A 135 12.750 2.514 9.225 1.00 0.00 N ATOM 337 CA THR A 135 12.142 2.636 7.869 1.00 0.00 C ATOM 338 C THR A 135 10.888 3.511 7.916 1.00 0.00 C ATOM 339 O THR A 135 10.321 3.750 8.963 1.00 0.00 O ATOM 340 CB THR A 135 11.786 1.209 7.455 1.00 0.00 C ATOM 341 OG1 THR A 135 12.838 0.332 7.831 1.00 0.00 O ATOM 342 CG2 THR A 135 11.588 1.155 5.939 1.00 0.00 C ATOM 0 H THR A 135 12.129 2.732 10.004 1.00 0.00 H new ATOM 0 HA THR A 135 12.825 3.106 7.161 1.00 0.00 H new ATOM 0 HB THR A 135 10.865 0.902 7.951 1.00 0.00 H new ATOM 0 HG1 THR A 135 12.494 -0.344 8.452 1.00 0.00 H new ATOM 0 HG21 THR A 135 11.334 0.138 5.641 1.00 0.00 H new ATOM 0 HG22 THR A 135 10.781 1.829 5.653 1.00 0.00 H new ATOM 0 HG23 THR A 135 12.508 1.460 5.441 1.00 0.00 H new ATOM 350 N PHE A 136 10.453 3.989 6.782 1.00 0.00 N ATOM 351 CA PHE A 136 9.236 4.848 6.747 1.00 0.00 C ATOM 352 C PHE A 136 8.490 4.646 5.425 1.00 0.00 C ATOM 353 O PHE A 136 8.951 3.949 4.544 1.00 0.00 O ATOM 354 CB PHE A 136 9.762 6.280 6.853 1.00 0.00 C ATOM 355 CG PHE A 136 10.767 6.366 7.976 1.00 0.00 C ATOM 356 CD1 PHE A 136 12.109 6.047 7.741 1.00 0.00 C ATOM 357 CD2 PHE A 136 10.353 6.764 9.254 1.00 0.00 C ATOM 358 CE1 PHE A 136 13.040 6.128 8.784 1.00 0.00 C ATOM 359 CE2 PHE A 136 11.284 6.844 10.296 1.00 0.00 C ATOM 360 CZ PHE A 136 12.627 6.526 10.062 1.00 0.00 C ATOM 0 H PHE A 136 10.890 3.821 5.876 1.00 0.00 H new ATOM 0 HA PHE A 136 8.536 4.611 7.548 1.00 0.00 H new ATOM 0 HB2 PHE A 136 10.225 6.579 5.913 1.00 0.00 H new ATOM 0 HB3 PHE A 136 8.937 6.969 7.035 1.00 0.00 H new ATOM 0 HD1 PHE A 136 12.427 5.739 6.756 1.00 0.00 H new ATOM 0 HD2 PHE A 136 9.317 7.009 9.435 1.00 0.00 H new ATOM 0 HE1 PHE A 136 14.076 5.884 8.603 1.00 0.00 H new ATOM 0 HE2 PHE A 136 10.966 7.151 11.281 1.00 0.00 H new ATOM 0 HZ PHE A 136 13.345 6.588 10.867 1.00 0.00 H new ATOM 370 N THR A 137 7.345 5.252 5.280 1.00 0.00 N ATOM 371 CA THR A 137 6.570 5.099 4.014 1.00 0.00 C ATOM 372 C THR A 137 6.107 6.468 3.515 1.00 0.00 C ATOM 373 O THR A 137 6.467 7.492 4.061 1.00 0.00 O ATOM 374 CB THR A 137 5.367 4.229 4.384 1.00 0.00 C ATOM 375 OG1 THR A 137 5.220 4.200 5.797 1.00 0.00 O ATOM 376 CG2 THR A 137 5.582 2.808 3.862 1.00 0.00 C ATOM 0 H THR A 137 6.910 5.848 5.984 1.00 0.00 H new ATOM 0 HA THR A 137 7.164 4.651 3.217 1.00 0.00 H new ATOM 0 HB THR A 137 4.466 4.646 3.934 1.00 0.00 H new ATOM 0 HG1 THR A 137 4.555 3.524 6.043 1.00 0.00 H new ATOM 0 HG21 THR A 137 4.724 2.190 4.126 1.00 0.00 H new ATOM 0 HG22 THR A 137 5.692 2.831 2.778 1.00 0.00 H new ATOM 0 HG23 THR A 137 6.483 2.389 4.309 1.00 0.00 H new ATOM 384 N ASP A 138 5.311 6.497 2.483 1.00 0.00 N ATOM 385 CA ASP A 138 4.829 7.805 1.954 1.00 0.00 C ATOM 386 C ASP A 138 4.175 8.619 3.074 1.00 0.00 C ATOM 387 O ASP A 138 4.477 9.780 3.264 1.00 0.00 O ATOM 388 CB ASP A 138 3.810 7.452 0.868 1.00 0.00 C ATOM 389 CG ASP A 138 2.900 6.319 1.351 1.00 0.00 C ATOM 390 OD1 ASP A 138 2.944 6.006 2.528 1.00 0.00 O ATOM 391 OD2 ASP A 138 2.170 5.785 0.531 1.00 0.00 O ATOM 0 H ASP A 138 4.974 5.674 1.983 1.00 0.00 H new ATOM 0 HA ASP A 138 5.641 8.413 1.556 1.00 0.00 H new ATOM 0 HB2 ASP A 138 3.212 8.329 0.620 1.00 0.00 H new ATOM 0 HB3 ASP A 138 4.327 7.151 -0.043 1.00 0.00 H new ATOM 396 N LEU A 139 3.287 8.022 3.822 1.00 0.00 N ATOM 397 CA LEU A 139 2.631 8.772 4.930 1.00 0.00 C ATOM 398 C LEU A 139 3.700 9.422 5.811 1.00 0.00 C ATOM 399 O LEU A 139 3.449 10.390 6.503 1.00 0.00 O ATOM 400 CB LEU A 139 1.842 7.723 5.716 1.00 0.00 C ATOM 401 CG LEU A 139 2.804 6.873 6.548 1.00 0.00 C ATOM 402 CD1 LEU A 139 2.752 7.325 8.007 1.00 0.00 C ATOM 403 CD2 LEU A 139 2.393 5.401 6.455 1.00 0.00 C ATOM 0 H LEU A 139 2.989 7.052 3.714 1.00 0.00 H new ATOM 0 HA LEU A 139 1.981 9.569 4.569 1.00 0.00 H new ATOM 0 HB2 LEU A 139 1.117 8.211 6.367 1.00 0.00 H new ATOM 0 HB3 LEU A 139 1.279 7.088 5.031 1.00 0.00 H new ATOM 0 HG LEU A 139 3.818 6.993 6.167 1.00 0.00 H new ATOM 0 HD11 LEU A 139 3.437 6.720 8.600 1.00 0.00 H new ATOM 0 HD12 LEU A 139 3.043 8.373 8.074 1.00 0.00 H new ATOM 0 HD13 LEU A 139 1.738 7.205 8.389 1.00 0.00 H new ATOM 0 HD21 LEU A 139 3.078 4.794 7.047 1.00 0.00 H new ATOM 0 HD22 LEU A 139 1.379 5.282 6.837 1.00 0.00 H new ATOM 0 HD23 LEU A 139 2.429 5.078 5.415 1.00 0.00 H new ATOM 415 N GLU A 140 4.896 8.898 5.782 1.00 0.00 N ATOM 416 CA GLU A 140 5.991 9.482 6.606 1.00 0.00 C ATOM 417 C GLU A 140 6.838 10.425 5.749 1.00 0.00 C ATOM 418 O GLU A 140 7.514 11.301 6.251 1.00 0.00 O ATOM 419 CB GLU A 140 6.822 8.285 7.068 1.00 0.00 C ATOM 420 CG GLU A 140 5.968 7.386 7.962 1.00 0.00 C ATOM 421 CD GLU A 140 6.805 6.899 9.146 1.00 0.00 C ATOM 422 OE1 GLU A 140 7.516 5.922 8.982 1.00 0.00 O ATOM 423 OE2 GLU A 140 6.723 7.513 10.197 1.00 0.00 O ATOM 0 H GLU A 140 5.161 8.088 5.221 1.00 0.00 H new ATOM 0 HA GLU A 140 5.615 10.062 7.448 1.00 0.00 H new ATOM 0 HB2 GLU A 140 7.181 7.723 6.206 1.00 0.00 H new ATOM 0 HB3 GLU A 140 7.701 8.628 7.613 1.00 0.00 H new ATOM 0 HG2 GLU A 140 5.097 7.934 8.320 1.00 0.00 H new ATOM 0 HG3 GLU A 140 5.597 6.535 7.391 1.00 0.00 H new ATOM 430 N ALA A 141 6.803 10.252 4.456 1.00 0.00 N ATOM 431 CA ALA A 141 7.601 11.138 3.562 1.00 0.00 C ATOM 432 C ALA A 141 7.088 12.577 3.662 1.00 0.00 C ATOM 433 O ALA A 141 7.782 13.519 3.331 1.00 0.00 O ATOM 434 CB ALA A 141 7.377 10.583 2.154 1.00 0.00 C ATOM 0 H ALA A 141 6.256 9.535 3.980 1.00 0.00 H new ATOM 0 HA ALA A 141 8.658 11.156 3.827 1.00 0.00 H new ATOM 0 HB1 ALA A 141 7.933 11.183 1.434 1.00 0.00 H new ATOM 0 HB2 ALA A 141 7.723 9.550 2.111 1.00 0.00 H new ATOM 0 HB3 ALA A 141 6.315 10.620 1.913 1.00 0.00 H new ATOM 440 N ASN A 142 5.877 12.754 4.117 1.00 0.00 N ATOM 441 CA ASN A 142 5.317 14.131 4.240 1.00 0.00 C ATOM 442 C ASN A 142 5.634 14.712 5.622 1.00 0.00 C ATOM 443 O ASN A 142 5.423 15.882 5.874 1.00 0.00 O ATOM 444 CB ASN A 142 3.808 13.960 4.062 1.00 0.00 C ATOM 445 CG ASN A 142 3.506 13.552 2.619 1.00 0.00 C ATOM 446 OD1 ASN A 142 3.350 14.395 1.757 1.00 0.00 O ATOM 447 ND2 ASN A 142 3.413 12.286 2.317 1.00 0.00 N ATOM 0 H ASN A 142 5.251 12.004 4.409 1.00 0.00 H new ATOM 0 HA ASN A 142 5.740 14.816 3.505 1.00 0.00 H new ATOM 0 HB2 ASN A 142 3.434 13.203 4.751 1.00 0.00 H new ATOM 0 HB3 ASN A 142 3.295 14.891 4.302 1.00 0.00 H new ATOM 0 HD21 ASN A 142 3.210 12.004 1.358 1.00 0.00 H new ATOM 0 HD22 ASN A 142 3.544 11.578 3.040 1.00 0.00 H new ATOM 454 N GLN A 143 6.138 13.907 6.518 1.00 0.00 N ATOM 455 CA GLN A 143 6.466 14.423 7.879 1.00 0.00 C ATOM 456 C GLN A 143 7.964 14.272 8.157 1.00 0.00 C ATOM 457 O GLN A 143 8.499 14.871 9.067 1.00 0.00 O ATOM 458 CB GLN A 143 5.650 13.560 8.844 1.00 0.00 C ATOM 459 CG GLN A 143 6.198 12.131 8.841 1.00 0.00 C ATOM 460 CD GLN A 143 5.311 11.243 9.715 1.00 0.00 C ATOM 461 OE1 GLN A 143 4.211 11.619 10.065 1.00 0.00 O ATOM 462 NE2 GLN A 143 5.746 10.069 10.084 1.00 0.00 N ATOM 0 H GLN A 143 6.336 12.918 6.368 1.00 0.00 H new ATOM 0 HA GLN A 143 6.229 15.482 7.984 1.00 0.00 H new ATOM 0 HB2 GLN A 143 5.698 13.977 9.850 1.00 0.00 H new ATOM 0 HB3 GLN A 143 4.601 13.559 8.549 1.00 0.00 H new ATOM 0 HG2 GLN A 143 6.228 11.744 7.823 1.00 0.00 H new ATOM 0 HG3 GLN A 143 7.222 12.122 9.215 1.00 0.00 H new ATOM 0 HE21 GLN A 143 6.670 9.752 9.790 1.00 0.00 H new ATOM 0 HE22 GLN A 143 5.162 9.468 10.666 1.00 0.00 H new ATOM 471 N LEU A 144 8.645 13.476 7.378 1.00 0.00 N ATOM 472 CA LEU A 144 10.109 13.290 7.599 1.00 0.00 C ATOM 473 C LEU A 144 10.903 14.100 6.571 1.00 0.00 C ATOM 474 O LEU A 144 12.108 14.224 6.659 1.00 0.00 O ATOM 475 CB LEU A 144 10.353 11.793 7.404 1.00 0.00 C ATOM 476 CG LEU A 144 9.485 11.002 8.383 1.00 0.00 C ATOM 477 CD1 LEU A 144 9.839 9.517 8.295 1.00 0.00 C ATOM 478 CD2 LEU A 144 9.741 11.503 9.806 1.00 0.00 C ATOM 0 H LEU A 144 8.252 12.947 6.599 1.00 0.00 H new ATOM 0 HA LEU A 144 10.425 13.629 8.586 1.00 0.00 H new ATOM 0 HB2 LEU A 144 10.117 11.506 6.379 1.00 0.00 H new ATOM 0 HB3 LEU A 144 11.406 11.561 7.566 1.00 0.00 H new ATOM 0 HG LEU A 144 8.434 11.139 8.131 1.00 0.00 H new ATOM 0 HD11 LEU A 144 9.220 8.953 8.993 1.00 0.00 H new ATOM 0 HD12 LEU A 144 9.660 9.160 7.281 1.00 0.00 H new ATOM 0 HD13 LEU A 144 10.890 9.378 8.548 1.00 0.00 H new ATOM 0 HD21 LEU A 144 9.123 10.941 10.506 1.00 0.00 H new ATOM 0 HD22 LEU A 144 10.793 11.364 10.057 1.00 0.00 H new ATOM 0 HD23 LEU A 144 9.490 12.562 9.870 1.00 0.00 H new ATOM 490 N PHE A 145 10.235 14.652 5.596 1.00 0.00 N ATOM 491 CA PHE A 145 10.946 15.452 4.559 1.00 0.00 C ATOM 492 C PHE A 145 11.559 16.709 5.182 1.00 0.00 C ATOM 493 O PHE A 145 11.083 17.217 6.177 1.00 0.00 O ATOM 494 CB PHE A 145 9.867 15.827 3.544 1.00 0.00 C ATOM 495 CG PHE A 145 10.511 16.468 2.340 1.00 0.00 C ATOM 496 CD1 PHE A 145 10.894 17.814 2.385 1.00 0.00 C ATOM 497 CD2 PHE A 145 10.727 15.718 1.178 1.00 0.00 C ATOM 498 CE1 PHE A 145 11.493 18.409 1.268 1.00 0.00 C ATOM 499 CE2 PHE A 145 11.325 16.312 0.061 1.00 0.00 C ATOM 500 CZ PHE A 145 11.708 17.658 0.107 1.00 0.00 C ATOM 0 H PHE A 145 9.225 14.583 5.472 1.00 0.00 H new ATOM 0 HA PHE A 145 11.765 14.898 4.100 1.00 0.00 H new ATOM 0 HB2 PHE A 145 9.311 14.939 3.243 1.00 0.00 H new ATOM 0 HB3 PHE A 145 9.151 16.513 3.995 1.00 0.00 H new ATOM 0 HD1 PHE A 145 10.727 18.393 3.281 1.00 0.00 H new ATOM 0 HD2 PHE A 145 10.432 14.680 1.144 1.00 0.00 H new ATOM 0 HE1 PHE A 145 11.789 19.447 1.302 1.00 0.00 H new ATOM 0 HE2 PHE A 145 11.491 15.733 -0.835 1.00 0.00 H new ATOM 0 HZ PHE A 145 12.170 18.117 -0.755 1.00 0.00 H new ATOM 510 N ASP A 146 12.611 17.217 4.599 1.00 0.00 N ATOM 511 CA ASP A 146 13.254 18.444 5.153 1.00 0.00 C ATOM 512 C ASP A 146 13.574 19.426 4.022 1.00 0.00 C ATOM 513 O ASP A 146 14.157 19.052 3.022 1.00 0.00 O ATOM 514 CB ASP A 146 14.539 17.953 5.820 1.00 0.00 C ATOM 515 CG ASP A 146 14.258 17.621 7.287 1.00 0.00 C ATOM 516 OD1 ASP A 146 13.427 16.763 7.532 1.00 0.00 O ATOM 517 OD2 ASP A 146 14.880 18.232 8.142 1.00 0.00 O ATOM 0 H ASP A 146 13.053 16.836 3.763 1.00 0.00 H new ATOM 0 HA ASP A 146 12.608 18.969 5.857 1.00 0.00 H new ATOM 0 HB2 ASP A 146 14.916 17.071 5.302 1.00 0.00 H new ATOM 0 HB3 ASP A 146 15.312 18.718 5.751 1.00 0.00 H new ATOM 522 N PRO A 147 13.175 20.655 4.217 1.00 0.00 N ATOM 523 CA PRO A 147 13.419 21.706 3.199 1.00 0.00 C ATOM 524 C PRO A 147 14.898 22.102 3.176 1.00 0.00 C ATOM 525 O PRO A 147 15.340 22.828 2.307 1.00 0.00 O ATOM 526 CB PRO A 147 12.551 22.869 3.672 1.00 0.00 C ATOM 527 CG PRO A 147 12.390 22.660 5.144 1.00 0.00 C ATOM 528 CD PRO A 147 12.469 21.175 5.393 1.00 0.00 C ATOM 0 HA PRO A 147 13.179 21.384 2.186 1.00 0.00 H new ATOM 0 HB2 PRO A 147 13.025 23.827 3.459 1.00 0.00 H new ATOM 0 HB3 PRO A 147 11.586 22.872 3.166 1.00 0.00 H new ATOM 0 HG2 PRO A 147 13.170 23.185 5.695 1.00 0.00 H new ATOM 0 HG3 PRO A 147 11.435 23.058 5.487 1.00 0.00 H new ATOM 0 HD2 PRO A 147 13.009 20.953 6.313 1.00 0.00 H new ATOM 0 HD3 PRO A 147 11.477 20.733 5.491 1.00 0.00 H new ATOM 536 N MET A 148 15.667 21.634 4.121 1.00 0.00 N ATOM 537 CA MET A 148 17.115 21.990 4.147 1.00 0.00 C ATOM 538 C MET A 148 17.934 20.941 3.389 1.00 0.00 C ATOM 539 O MET A 148 18.993 21.226 2.867 1.00 0.00 O ATOM 540 CB MET A 148 17.497 22.004 5.628 1.00 0.00 C ATOM 541 CG MET A 148 17.240 20.625 6.239 1.00 0.00 C ATOM 542 SD MET A 148 18.273 20.413 7.710 1.00 0.00 S ATOM 543 CE MET A 148 17.100 21.088 8.912 1.00 0.00 C ATOM 0 H MET A 148 15.356 21.022 4.875 1.00 0.00 H new ATOM 0 HA MET A 148 17.311 22.950 3.669 1.00 0.00 H new ATOM 0 HB2 MET A 148 18.548 22.272 5.740 1.00 0.00 H new ATOM 0 HB3 MET A 148 16.917 22.761 6.156 1.00 0.00 H new ATOM 0 HG2 MET A 148 16.187 20.523 6.503 1.00 0.00 H new ATOM 0 HG3 MET A 148 17.462 19.846 5.510 1.00 0.00 H new ATOM 0 HE1 MET A 148 17.540 21.054 9.909 1.00 0.00 H new ATOM 0 HE2 MET A 148 16.868 22.121 8.653 1.00 0.00 H new ATOM 0 HE3 MET A 148 16.185 20.496 8.899 1.00 0.00 H new ATOM 553 N THR A 149 17.453 19.729 3.324 1.00 0.00 N ATOM 554 CA THR A 149 18.207 18.667 2.599 1.00 0.00 C ATOM 555 C THR A 149 17.423 18.210 1.366 1.00 0.00 C ATOM 556 O THR A 149 17.933 17.505 0.518 1.00 0.00 O ATOM 557 CB THR A 149 18.347 17.525 3.607 1.00 0.00 C ATOM 558 OG1 THR A 149 18.878 16.381 2.954 1.00 0.00 O ATOM 559 CG2 THR A 149 16.977 17.190 4.197 1.00 0.00 C ATOM 0 H THR A 149 16.572 19.429 3.741 1.00 0.00 H new ATOM 0 HA THR A 149 19.177 19.015 2.243 1.00 0.00 H new ATOM 0 HB THR A 149 19.019 17.829 4.409 1.00 0.00 H new ATOM 0 HG1 THR A 149 18.362 16.200 2.141 1.00 0.00 H new ATOM 0 HG21 THR A 149 17.079 16.376 4.915 1.00 0.00 H new ATOM 0 HG22 THR A 149 16.573 18.069 4.700 1.00 0.00 H new ATOM 0 HG23 THR A 149 16.301 16.886 3.398 1.00 0.00 H new ATOM 567 N GLY A 150 16.184 18.611 1.257 1.00 0.00 N ATOM 568 CA GLY A 150 15.367 18.207 0.077 1.00 0.00 C ATOM 569 C GLY A 150 15.081 16.705 0.135 1.00 0.00 C ATOM 570 O GLY A 150 14.557 16.127 -0.797 1.00 0.00 O ATOM 0 H GLY A 150 15.703 19.201 1.935 1.00 0.00 H new ATOM 0 HA2 GLY A 150 14.431 18.765 0.063 1.00 0.00 H new ATOM 0 HA3 GLY A 150 15.896 18.450 -0.844 1.00 0.00 H new ATOM 574 N THR A 151 15.420 16.065 1.221 1.00 0.00 N ATOM 575 CA THR A 151 15.165 14.599 1.333 1.00 0.00 C ATOM 576 C THR A 151 14.409 14.290 2.628 1.00 0.00 C ATOM 577 O THR A 151 13.960 15.179 3.324 1.00 0.00 O ATOM 578 CB THR A 151 16.551 13.954 1.355 1.00 0.00 C ATOM 579 OG1 THR A 151 17.511 14.916 1.764 1.00 0.00 O ATOM 580 CG2 THR A 151 16.903 13.443 -0.042 1.00 0.00 C ATOM 0 H THR A 151 15.862 16.492 2.035 1.00 0.00 H new ATOM 0 HA THR A 151 14.554 14.224 0.512 1.00 0.00 H new ATOM 0 HB THR A 151 16.551 13.118 2.054 1.00 0.00 H new ATOM 0 HG1 THR A 151 17.780 14.737 2.689 1.00 0.00 H new ATOM 0 HG21 THR A 151 17.891 12.984 -0.023 1.00 0.00 H new ATOM 0 HG22 THR A 151 16.166 12.704 -0.356 1.00 0.00 H new ATOM 0 HG23 THR A 151 16.903 14.276 -0.745 1.00 0.00 H new ATOM 588 N PHE A 152 14.268 13.035 2.957 1.00 0.00 N ATOM 589 CA PHE A 152 13.546 12.668 4.208 1.00 0.00 C ATOM 590 C PHE A 152 14.548 12.389 5.329 1.00 0.00 C ATOM 591 O PHE A 152 15.550 11.731 5.129 1.00 0.00 O ATOM 592 CB PHE A 152 12.764 11.402 3.856 1.00 0.00 C ATOM 593 CG PHE A 152 11.946 11.652 2.612 1.00 0.00 C ATOM 594 CD1 PHE A 152 12.501 11.411 1.349 1.00 0.00 C ATOM 595 CD2 PHE A 152 10.633 12.125 2.722 1.00 0.00 C ATOM 596 CE1 PHE A 152 11.744 11.645 0.196 1.00 0.00 C ATOM 597 CE2 PHE A 152 9.876 12.359 1.567 1.00 0.00 C ATOM 598 CZ PHE A 152 10.431 12.119 0.305 1.00 0.00 C ATOM 0 H PHE A 152 14.622 12.248 2.413 1.00 0.00 H new ATOM 0 HA PHE A 152 12.891 13.465 4.559 1.00 0.00 H new ATOM 0 HB2 PHE A 152 13.450 10.570 3.694 1.00 0.00 H new ATOM 0 HB3 PHE A 152 12.112 11.121 4.683 1.00 0.00 H new ATOM 0 HD1 PHE A 152 13.513 11.044 1.265 1.00 0.00 H new ATOM 0 HD2 PHE A 152 10.204 12.309 3.696 1.00 0.00 H new ATOM 0 HE1 PHE A 152 12.172 11.460 -0.778 1.00 0.00 H new ATOM 0 HE2 PHE A 152 8.863 12.725 1.650 1.00 0.00 H new ATOM 0 HZ PHE A 152 9.846 12.299 -0.585 1.00 0.00 H new ATOM 608 N ARG A 153 14.293 12.892 6.505 1.00 0.00 N ATOM 609 CA ARG A 153 15.238 12.656 7.631 1.00 0.00 C ATOM 610 C ARG A 153 14.625 11.702 8.656 1.00 0.00 C ATOM 611 O ARG A 153 13.455 11.785 8.976 1.00 0.00 O ATOM 612 CB ARG A 153 15.465 14.032 8.258 1.00 0.00 C ATOM 613 CG ARG A 153 16.630 14.729 7.552 1.00 0.00 C ATOM 614 CD ARG A 153 17.161 15.860 8.436 1.00 0.00 C ATOM 615 NE ARG A 153 18.643 15.741 8.364 1.00 0.00 N ATOM 616 CZ ARG A 153 19.382 16.815 8.298 1.00 0.00 C ATOM 617 NH1 ARG A 153 19.075 17.862 9.013 1.00 0.00 N ATOM 618 NH2 ARG A 153 20.429 16.840 7.519 1.00 0.00 N ATOM 0 H ARG A 153 13.474 13.455 6.734 1.00 0.00 H new ATOM 0 HA ARG A 153 16.168 12.201 7.291 1.00 0.00 H new ATOM 0 HB2 ARG A 153 14.561 14.635 8.173 1.00 0.00 H new ATOM 0 HB3 ARG A 153 15.680 13.928 9.321 1.00 0.00 H new ATOM 0 HG2 ARG A 153 17.424 14.012 7.344 1.00 0.00 H new ATOM 0 HG3 ARG A 153 16.301 15.127 6.592 1.00 0.00 H new ATOM 0 HD2 ARG A 153 16.825 16.833 8.077 1.00 0.00 H new ATOM 0 HD3 ARG A 153 16.806 15.759 9.462 1.00 0.00 H new ATOM 0 HE ARG A 153 19.081 14.820 8.366 1.00 0.00 H new ATOM 0 HH11 ARG A 153 18.258 17.841 9.623 1.00 0.00 H new ATOM 0 HH12 ARG A 153 19.652 18.702 8.962 1.00 0.00 H new ATOM 0 HH21 ARG A 153 20.670 16.020 6.962 1.00 0.00 H new ATOM 0 HH22 ARG A 153 21.006 17.679 7.467 1.00 0.00 H new ATOM 632 N CYS A 154 15.412 10.808 9.181 1.00 0.00 N ATOM 633 CA CYS A 154 14.892 9.854 10.198 1.00 0.00 C ATOM 634 C CYS A 154 14.076 10.618 11.247 1.00 0.00 C ATOM 635 O CYS A 154 14.019 11.831 11.232 1.00 0.00 O ATOM 636 CB CYS A 154 16.149 9.253 10.818 1.00 0.00 C ATOM 637 SG CYS A 154 15.723 7.810 11.816 1.00 0.00 S ATOM 0 H CYS A 154 16.399 10.696 8.948 1.00 0.00 H new ATOM 0 HA CYS A 154 14.235 9.091 9.781 1.00 0.00 H new ATOM 0 HB2 CYS A 154 16.850 8.968 10.033 1.00 0.00 H new ATOM 0 HB3 CYS A 154 16.650 9.997 11.437 1.00 0.00 H new ATOM 0 HG CYS A 154 16.778 7.396 12.453 1.00 0.00 H new ATOM 642 N THR A 155 13.443 9.929 12.156 1.00 0.00 N ATOM 643 CA THR A 155 12.636 10.644 13.188 1.00 0.00 C ATOM 644 C THR A 155 13.185 10.380 14.593 1.00 0.00 C ATOM 645 O THR A 155 12.903 11.110 15.523 1.00 0.00 O ATOM 646 CB THR A 155 11.216 10.091 13.053 1.00 0.00 C ATOM 647 OG1 THR A 155 11.165 9.160 11.979 1.00 0.00 O ATOM 648 CG2 THR A 155 10.249 11.244 12.777 1.00 0.00 C ATOM 0 H THR A 155 13.448 8.912 12.230 1.00 0.00 H new ATOM 0 HA THR A 155 12.667 11.724 13.041 1.00 0.00 H new ATOM 0 HB THR A 155 10.932 9.588 13.978 1.00 0.00 H new ATOM 0 HG1 THR A 155 10.269 9.167 11.582 1.00 0.00 H new ATOM 0 HG21 THR A 155 9.236 10.854 12.680 1.00 0.00 H new ATOM 0 HG22 THR A 155 10.286 11.956 13.602 1.00 0.00 H new ATOM 0 HG23 THR A 155 10.535 11.745 11.852 1.00 0.00 H new ATOM 656 N PHE A 156 13.969 9.350 14.763 1.00 0.00 N ATOM 657 CA PHE A 156 14.524 9.067 16.120 1.00 0.00 C ATOM 658 C PHE A 156 16.041 9.264 16.121 1.00 0.00 C ATOM 659 O PHE A 156 16.619 9.691 17.100 1.00 0.00 O ATOM 660 CB PHE A 156 14.165 7.612 16.467 1.00 0.00 C ATOM 661 CG PHE A 156 13.634 6.872 15.259 1.00 0.00 C ATOM 662 CD1 PHE A 156 14.510 6.466 14.250 1.00 0.00 C ATOM 663 CD2 PHE A 156 12.266 6.593 15.154 1.00 0.00 C ATOM 664 CE1 PHE A 156 14.019 5.783 13.133 1.00 0.00 C ATOM 665 CE2 PHE A 156 11.775 5.909 14.036 1.00 0.00 C ATOM 666 CZ PHE A 156 12.652 5.503 13.025 1.00 0.00 C ATOM 0 H PHE A 156 14.248 8.698 14.030 1.00 0.00 H new ATOM 0 HA PHE A 156 14.105 9.748 16.861 1.00 0.00 H new ATOM 0 HB2 PHE A 156 15.047 7.100 16.851 1.00 0.00 H new ATOM 0 HB3 PHE A 156 13.418 7.599 17.261 1.00 0.00 H new ATOM 0 HD1 PHE A 156 15.566 6.679 14.332 1.00 0.00 H new ATOM 0 HD2 PHE A 156 11.590 6.906 15.936 1.00 0.00 H new ATOM 0 HE1 PHE A 156 14.696 5.471 12.352 1.00 0.00 H new ATOM 0 HE2 PHE A 156 10.720 5.695 13.954 1.00 0.00 H new ATOM 0 HZ PHE A 156 12.275 4.974 12.162 1.00 0.00 H new ATOM 676 N CYS A 157 16.689 8.970 15.030 1.00 0.00 N ATOM 677 CA CYS A 157 18.165 9.159 14.975 1.00 0.00 C ATOM 678 C CYS A 157 18.510 10.163 13.858 1.00 0.00 C ATOM 679 O CYS A 157 19.626 10.241 13.383 1.00 0.00 O ATOM 680 CB CYS A 157 18.736 7.745 14.752 1.00 0.00 C ATOM 681 SG CYS A 157 19.267 7.490 13.040 1.00 0.00 S ATOM 0 H CYS A 157 16.263 8.608 14.177 1.00 0.00 H new ATOM 0 HA CYS A 157 18.596 9.586 15.880 1.00 0.00 H new ATOM 0 HB2 CYS A 157 19.581 7.586 15.421 1.00 0.00 H new ATOM 0 HB3 CYS A 157 17.980 7.004 15.011 1.00 0.00 H new ATOM 0 HG CYS A 157 20.175 8.368 12.732 1.00 0.00 H new ATOM 686 N HIS A 158 17.537 10.948 13.475 1.00 0.00 N ATOM 687 CA HIS A 158 17.727 11.999 12.423 1.00 0.00 C ATOM 688 C HIS A 158 18.788 11.629 11.378 1.00 0.00 C ATOM 689 O HIS A 158 19.462 12.490 10.849 1.00 0.00 O ATOM 690 CB HIS A 158 18.153 13.242 13.201 1.00 0.00 C ATOM 691 CG HIS A 158 16.996 13.720 14.036 1.00 0.00 C ATOM 692 ND1 HIS A 158 16.252 14.840 13.698 1.00 0.00 N ATOM 693 CD2 HIS A 158 16.437 13.234 15.191 1.00 0.00 C ATOM 694 CE1 HIS A 158 15.296 14.987 14.633 1.00 0.00 C ATOM 695 NE2 HIS A 158 15.363 14.035 15.567 1.00 0.00 N ATOM 0 H HIS A 158 16.592 10.905 13.857 1.00 0.00 H new ATOM 0 HA HIS A 158 16.812 12.138 11.848 1.00 0.00 H new ATOM 0 HB2 HIS A 158 19.007 13.013 13.838 1.00 0.00 H new ATOM 0 HB3 HIS A 158 18.470 14.026 12.513 1.00 0.00 H new ATOM 0 HD2 HIS A 158 16.779 12.361 15.727 1.00 0.00 H new ATOM 0 HE1 HIS A 158 14.562 15.780 14.629 1.00 0.00 H new ATOM 0 HE2 HIS A 158 14.758 13.920 16.380 1.00 0.00 H new ATOM 703 N THR A 159 18.932 10.378 11.043 1.00 0.00 N ATOM 704 CA THR A 159 19.934 10.012 10.001 1.00 0.00 C ATOM 705 C THR A 159 19.264 10.030 8.623 1.00 0.00 C ATOM 706 O THR A 159 18.182 9.505 8.443 1.00 0.00 O ATOM 707 CB THR A 159 20.396 8.601 10.362 1.00 0.00 C ATOM 708 OG1 THR A 159 21.263 8.668 11.485 1.00 0.00 O ATOM 709 CG2 THR A 159 21.141 7.972 9.177 1.00 0.00 C ATOM 0 H THR A 159 18.406 9.599 11.440 1.00 0.00 H new ATOM 0 HA THR A 159 20.774 10.706 9.964 1.00 0.00 H new ATOM 0 HB THR A 159 19.527 7.987 10.600 1.00 0.00 H new ATOM 0 HG1 THR A 159 21.926 9.376 11.345 1.00 0.00 H new ATOM 0 HG21 THR A 159 21.466 6.967 9.444 1.00 0.00 H new ATOM 0 HG22 THR A 159 20.476 7.921 8.315 1.00 0.00 H new ATOM 0 HG23 THR A 159 22.011 8.581 8.929 1.00 0.00 H new ATOM 717 N GLU A 160 19.895 10.628 7.649 1.00 0.00 N ATOM 718 CA GLU A 160 19.289 10.675 6.286 1.00 0.00 C ATOM 719 C GLU A 160 18.821 9.277 5.869 1.00 0.00 C ATOM 720 O GLU A 160 19.549 8.310 5.976 1.00 0.00 O ATOM 721 CB GLU A 160 20.413 11.161 5.371 1.00 0.00 C ATOM 722 CG GLU A 160 19.878 11.339 3.949 1.00 0.00 C ATOM 723 CD GLU A 160 21.022 11.167 2.947 1.00 0.00 C ATOM 724 OE1 GLU A 160 21.873 12.040 2.896 1.00 0.00 O ATOM 725 OE2 GLU A 160 21.028 10.166 2.250 1.00 0.00 O ATOM 0 H GLU A 160 20.802 11.085 7.737 1.00 0.00 H new ATOM 0 HA GLU A 160 18.417 11.328 6.242 1.00 0.00 H new ATOM 0 HB2 GLU A 160 20.813 12.105 5.740 1.00 0.00 H new ATOM 0 HB3 GLU A 160 21.234 10.444 5.374 1.00 0.00 H new ATOM 0 HG2 GLU A 160 19.094 10.609 3.750 1.00 0.00 H new ATOM 0 HG3 GLU A 160 19.430 12.326 3.839 1.00 0.00 H new ATOM 732 N VAL A 161 17.609 9.161 5.396 1.00 0.00 N ATOM 733 CA VAL A 161 17.097 7.826 4.974 1.00 0.00 C ATOM 734 C VAL A 161 17.301 7.633 3.467 1.00 0.00 C ATOM 735 O VAL A 161 17.742 8.527 2.773 1.00 0.00 O ATOM 736 CB VAL A 161 15.606 7.849 5.312 1.00 0.00 C ATOM 737 CG1 VAL A 161 15.424 7.961 6.828 1.00 0.00 C ATOM 738 CG2 VAL A 161 14.951 9.052 4.632 1.00 0.00 C ATOM 0 H VAL A 161 16.952 9.933 5.284 1.00 0.00 H new ATOM 0 HA VAL A 161 17.617 7.008 5.473 1.00 0.00 H new ATOM 0 HB VAL A 161 15.140 6.929 4.959 1.00 0.00 H new ATOM 0 HG11 VAL A 161 14.361 7.977 7.067 1.00 0.00 H new ATOM 0 HG12 VAL A 161 15.892 7.105 7.315 1.00 0.00 H new ATOM 0 HG13 VAL A 161 15.890 8.880 7.183 1.00 0.00 H new ATOM 0 HG21 VAL A 161 13.888 9.071 4.871 1.00 0.00 H new ATOM 0 HG22 VAL A 161 15.419 9.970 4.987 1.00 0.00 H new ATOM 0 HG23 VAL A 161 15.079 8.974 3.552 1.00 0.00 H new ATOM 748 N GLU A 162 16.981 6.474 2.958 1.00 0.00 N ATOM 749 CA GLU A 162 17.155 6.226 1.498 1.00 0.00 C ATOM 750 C GLU A 162 16.065 5.277 0.992 1.00 0.00 C ATOM 751 O GLU A 162 15.521 4.489 1.740 1.00 0.00 O ATOM 752 CB GLU A 162 18.533 5.576 1.364 1.00 0.00 C ATOM 753 CG GLU A 162 19.616 6.656 1.400 1.00 0.00 C ATOM 754 CD GLU A 162 20.832 6.188 0.598 1.00 0.00 C ATOM 755 OE1 GLU A 162 20.916 5.002 0.326 1.00 0.00 O ATOM 756 OE2 GLU A 162 21.656 7.023 0.269 1.00 0.00 O ATOM 0 H GLU A 162 16.607 5.688 3.490 1.00 0.00 H new ATOM 0 HA GLU A 162 17.079 7.142 0.913 1.00 0.00 H new ATOM 0 HB2 GLU A 162 18.690 4.863 2.173 1.00 0.00 H new ATOM 0 HB3 GLU A 162 18.593 5.017 0.430 1.00 0.00 H new ATOM 0 HG2 GLU A 162 19.230 7.587 0.985 1.00 0.00 H new ATOM 0 HG3 GLU A 162 19.905 6.862 2.431 1.00 0.00 H new ATOM 763 N GLU A 163 15.745 5.341 -0.272 1.00 0.00 N ATOM 764 CA GLU A 163 14.694 4.435 -0.817 1.00 0.00 C ATOM 765 C GLU A 163 15.070 2.977 -0.543 1.00 0.00 C ATOM 766 O GLU A 163 16.126 2.516 -0.929 1.00 0.00 O ATOM 767 CB GLU A 163 14.666 4.711 -2.321 1.00 0.00 C ATOM 768 CG GLU A 163 14.171 6.136 -2.572 1.00 0.00 C ATOM 769 CD GLU A 163 12.704 6.098 -3.004 1.00 0.00 C ATOM 770 OE1 GLU A 163 12.009 5.184 -2.593 1.00 0.00 O ATOM 771 OE2 GLU A 163 12.300 6.986 -3.738 1.00 0.00 O ATOM 0 H GLU A 163 16.164 5.979 -0.949 1.00 0.00 H new ATOM 0 HA GLU A 163 13.720 4.607 -0.359 1.00 0.00 H new ATOM 0 HB2 GLU A 163 15.663 4.582 -2.743 1.00 0.00 H new ATOM 0 HB3 GLU A 163 14.013 3.995 -2.820 1.00 0.00 H new ATOM 0 HG2 GLU A 163 14.279 6.735 -1.668 1.00 0.00 H new ATOM 0 HG3 GLU A 163 14.776 6.612 -3.344 1.00 0.00 H new ATOM 778 N ASP A 164 14.218 2.250 0.125 1.00 0.00 N ATOM 779 CA ASP A 164 14.531 0.824 0.430 1.00 0.00 C ATOM 780 C ASP A 164 13.986 -0.090 -0.671 1.00 0.00 C ATOM 781 O ASP A 164 12.811 -0.076 -0.977 1.00 0.00 O ATOM 782 CB ASP A 164 13.830 0.543 1.758 1.00 0.00 C ATOM 783 CG ASP A 164 13.972 -0.939 2.109 1.00 0.00 C ATOM 784 OD1 ASP A 164 14.590 -1.654 1.337 1.00 0.00 O ATOM 785 OD2 ASP A 164 13.462 -1.334 3.144 1.00 0.00 O ATOM 0 H ASP A 164 13.318 2.581 0.473 1.00 0.00 H new ATOM 0 HA ASP A 164 15.604 0.640 0.487 1.00 0.00 H new ATOM 0 HB2 ASP A 164 14.264 1.157 2.547 1.00 0.00 H new ATOM 0 HB3 ASP A 164 12.776 0.811 1.688 1.00 0.00 H new