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 149 THR OG1 : rot -100:sc= 1.26 USER MOD Set 1.2: A 151 THR OG1 : rot 180:sc= 1.1 USER MOD Set 2.1: A 129 CYS SG : rot 150:sc= -2.33! USER MOD Set 2.2: A 132 CYS SG : rot 66:sc= -0.742! USER MOD Set 2.3: A 134 SER OG : rot 148:sc= 2.64 USER MOD Set 2.4: A 154 CYS SG : rot -174:sc= -6.21! USER MOD Set 2.5: A 157 CYS SG : rot -126:sc= -3.24! USER MOD Set 2.6: A 159 THR OG1 : rot 97:sc= -1.69! USER MOD Single : A 126 SER OG : rot 180:sc= -0.766 USER MOD Single : A 128 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 133 SER OG : rot 48:sc= -0.443! USER MOD Single : A 135 THR OG1 : rot -55:sc= -0.0956! USER MOD Single : A 137 THR OG1 : rot 180:sc= -0.729 USER MOD Single : A 142 ASN : amide:sc= 0 X(o=0,f=-0.032) USER MOD Single : A 143 GLN : amide:sc= -0.283 X(o=-0.28,f=-0.035) USER MOD Single : A 148 MET CE :methyl 165:sc= -0.0139 (180deg=-0.434) USER MOD Single : A 155 THR OG1 : rot 91:sc= -0.472 USER MOD Single : A 158 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 211 N SER A 126 8.758 3.854 0.419 1.00 0.00 N ATOM 212 CA SER A 126 9.308 3.164 1.621 1.00 0.00 C ATOM 213 C SER A 126 10.762 3.585 1.845 1.00 0.00 C ATOM 214 O SER A 126 11.660 3.137 1.161 1.00 0.00 O ATOM 215 CB SER A 126 9.229 1.675 1.296 1.00 0.00 C ATOM 216 OG SER A 126 10.053 0.952 2.202 1.00 0.00 O ATOM 0 HA SER A 126 8.757 3.411 2.529 1.00 0.00 H new ATOM 0 HB2 SER A 126 8.198 1.329 1.369 1.00 0.00 H new ATOM 0 HB3 SER A 126 9.553 1.497 0.271 1.00 0.00 H new ATOM 0 HG SER A 126 10.003 -0.005 1.997 1.00 0.00 H new ATOM 222 N PHE A 127 10.998 4.446 2.793 1.00 0.00 N ATOM 223 CA PHE A 127 12.394 4.899 3.054 1.00 0.00 C ATOM 224 C PHE A 127 13.021 4.078 4.182 1.00 0.00 C ATOM 225 O PHE A 127 12.345 3.612 5.077 1.00 0.00 O ATOM 226 CB PHE A 127 12.261 6.361 3.477 1.00 0.00 C ATOM 227 CG PHE A 127 11.620 7.156 2.367 1.00 0.00 C ATOM 228 CD1 PHE A 127 12.413 7.699 1.348 1.00 0.00 C ATOM 229 CD2 PHE A 127 10.235 7.354 2.355 1.00 0.00 C ATOM 230 CE1 PHE A 127 11.820 8.439 0.319 1.00 0.00 C ATOM 231 CE2 PHE A 127 9.641 8.095 1.327 1.00 0.00 C ATOM 232 CZ PHE A 127 10.434 8.638 0.309 1.00 0.00 C ATOM 0 H PHE A 127 10.287 4.856 3.399 1.00 0.00 H new ATOM 0 HA PHE A 127 13.033 4.778 2.180 1.00 0.00 H new ATOM 0 HB2 PHE A 127 11.660 6.434 4.383 1.00 0.00 H new ATOM 0 HB3 PHE A 127 13.243 6.772 3.712 1.00 0.00 H new ATOM 0 HD1 PHE A 127 13.482 7.547 1.357 1.00 0.00 H new ATOM 0 HD2 PHE A 127 9.623 6.934 3.140 1.00 0.00 H new ATOM 0 HE1 PHE A 127 12.431 8.857 -0.467 1.00 0.00 H new ATOM 0 HE2 PHE A 127 8.572 8.248 1.319 1.00 0.00 H new ATOM 0 HZ PHE A 127 9.977 9.211 -0.484 1.00 0.00 H new ATOM 242 N LYS A 128 14.314 3.907 4.149 1.00 0.00 N ATOM 243 CA LYS A 128 14.991 3.131 5.221 1.00 0.00 C ATOM 244 C LYS A 128 16.197 3.914 5.743 1.00 0.00 C ATOM 245 O LYS A 128 16.925 4.529 4.990 1.00 0.00 O ATOM 246 CB LYS A 128 15.433 1.825 4.561 1.00 0.00 C ATOM 247 CG LYS A 128 16.396 1.079 5.489 1.00 0.00 C ATOM 248 CD LYS A 128 15.709 -0.174 6.038 1.00 0.00 C ATOM 249 CE LYS A 128 16.413 -1.418 5.496 1.00 0.00 C ATOM 250 NZ LYS A 128 15.665 -2.567 6.078 1.00 0.00 N ATOM 0 H LYS A 128 14.930 4.273 3.423 1.00 0.00 H new ATOM 0 HA LYS A 128 14.338 2.943 6.073 1.00 0.00 H new ATOM 0 HB2 LYS A 128 14.564 1.203 4.346 1.00 0.00 H new ATOM 0 HB3 LYS A 128 15.919 2.034 3.608 1.00 0.00 H new ATOM 0 HG2 LYS A 128 17.300 0.803 4.946 1.00 0.00 H new ATOM 0 HG3 LYS A 128 16.703 1.728 6.310 1.00 0.00 H new ATOM 0 HD2 LYS A 128 15.740 -0.171 7.128 1.00 0.00 H new ATOM 0 HD3 LYS A 128 14.658 -0.182 5.749 1.00 0.00 H new ATOM 0 HE2 LYS A 128 16.389 -1.442 4.407 1.00 0.00 H new ATOM 0 HE3 LYS A 128 17.462 -1.439 5.792 1.00 0.00 H new ATOM 0 HZ1 LYS A 128 16.089 -3.459 5.752 1.00 0.00 H new ATOM 0 HZ2 LYS A 128 15.711 -2.521 7.116 1.00 0.00 H new ATOM 0 HZ3 LYS A 128 14.672 -2.525 5.773 1.00 0.00 H new ATOM 264 N CYS A 129 16.408 3.904 7.030 1.00 0.00 N ATOM 265 CA CYS A 129 17.557 4.653 7.603 1.00 0.00 C ATOM 266 C CYS A 129 18.792 3.748 7.686 1.00 0.00 C ATOM 267 O CYS A 129 18.712 2.629 8.147 1.00 0.00 O ATOM 268 CB CYS A 129 17.088 5.060 8.997 1.00 0.00 C ATOM 269 SG CYS A 129 18.350 6.071 9.789 1.00 0.00 S ATOM 0 H CYS A 129 15.832 3.408 7.710 1.00 0.00 H new ATOM 0 HA CYS A 129 17.843 5.513 6.998 1.00 0.00 H new ATOM 0 HB2 CYS A 129 16.153 5.616 8.929 1.00 0.00 H new ATOM 0 HB3 CYS A 129 16.889 4.173 9.598 1.00 0.00 H new ATOM 0 HG CYS A 129 17.785 6.905 10.610 1.00 0.00 H new ATOM 274 N PRO A 130 19.897 4.269 7.224 1.00 0.00 N ATOM 275 CA PRO A 130 21.165 3.500 7.233 1.00 0.00 C ATOM 276 C PRO A 130 21.799 3.488 8.629 1.00 0.00 C ATOM 277 O PRO A 130 22.614 2.640 8.937 1.00 0.00 O ATOM 278 CB PRO A 130 22.049 4.265 6.253 1.00 0.00 C ATOM 279 CG PRO A 130 21.518 5.665 6.249 1.00 0.00 C ATOM 280 CD PRO A 130 20.065 5.607 6.651 1.00 0.00 C ATOM 0 HA PRO A 130 21.022 2.454 6.962 1.00 0.00 H new ATOM 0 HB2 PRO A 130 23.093 4.242 6.565 1.00 0.00 H new ATOM 0 HB3 PRO A 130 22.004 3.825 5.257 1.00 0.00 H new ATOM 0 HG2 PRO A 130 22.082 6.290 6.942 1.00 0.00 H new ATOM 0 HG3 PRO A 130 21.623 6.111 5.260 1.00 0.00 H new ATOM 0 HD2 PRO A 130 19.823 6.383 7.377 1.00 0.00 H new ATOM 0 HD3 PRO A 130 19.409 5.757 5.793 1.00 0.00 H new ATOM 288 N VAL A 131 21.452 4.423 9.470 1.00 0.00 N ATOM 289 CA VAL A 131 22.060 4.455 10.833 1.00 0.00 C ATOM 290 C VAL A 131 21.294 3.548 11.801 1.00 0.00 C ATOM 291 O VAL A 131 21.770 2.497 12.179 1.00 0.00 O ATOM 292 CB VAL A 131 21.983 5.919 11.272 1.00 0.00 C ATOM 293 CG1 VAL A 131 22.161 6.015 12.789 1.00 0.00 C ATOM 294 CG2 VAL A 131 23.099 6.706 10.580 1.00 0.00 C ATOM 0 H VAL A 131 20.778 5.163 9.275 1.00 0.00 H new ATOM 0 HA VAL A 131 23.086 4.087 10.827 1.00 0.00 H new ATOM 0 HB VAL A 131 21.012 6.331 10.998 1.00 0.00 H new ATOM 0 HG11 VAL A 131 22.105 7.059 13.097 1.00 0.00 H new ATOM 0 HG12 VAL A 131 21.373 5.448 13.284 1.00 0.00 H new ATOM 0 HG13 VAL A 131 23.132 5.606 13.068 1.00 0.00 H new ATOM 0 HG21 VAL A 131 23.052 7.751 10.887 1.00 0.00 H new ATOM 0 HG22 VAL A 131 24.066 6.289 10.860 1.00 0.00 H new ATOM 0 HG23 VAL A 131 22.975 6.640 9.499 1.00 0.00 H new ATOM 304 N CYS A 132 20.121 3.940 12.213 1.00 0.00 N ATOM 305 CA CYS A 132 19.358 3.078 13.164 1.00 0.00 C ATOM 306 C CYS A 132 18.555 2.016 12.400 1.00 0.00 C ATOM 307 O CYS A 132 17.680 1.370 12.943 1.00 0.00 O ATOM 308 CB CYS A 132 18.452 4.030 13.955 1.00 0.00 C ATOM 309 SG CYS A 132 17.055 4.555 12.941 1.00 0.00 S ATOM 0 H CYS A 132 19.661 4.808 11.938 1.00 0.00 H new ATOM 0 HA CYS A 132 20.014 2.527 13.838 1.00 0.00 H new ATOM 0 HB2 CYS A 132 18.090 3.534 14.855 1.00 0.00 H new ATOM 0 HB3 CYS A 132 19.023 4.901 14.278 1.00 0.00 H new ATOM 0 HG CYS A 132 16.292 3.533 12.690 1.00 0.00 H new ATOM 314 N SER A 133 18.876 1.816 11.145 1.00 0.00 N ATOM 315 CA SER A 133 18.183 0.777 10.319 1.00 0.00 C ATOM 316 C SER A 133 16.661 0.852 10.455 1.00 0.00 C ATOM 317 O SER A 133 15.971 -0.138 10.308 1.00 0.00 O ATOM 318 CB SER A 133 18.701 -0.566 10.840 1.00 0.00 C ATOM 319 OG SER A 133 18.821 -0.519 12.255 1.00 0.00 O ATOM 0 H SER A 133 19.600 2.337 10.650 1.00 0.00 H new ATOM 0 HA SER A 133 18.392 0.922 9.259 1.00 0.00 H new ATOM 0 HB2 SER A 133 18.020 -1.366 10.550 1.00 0.00 H new ATOM 0 HB3 SER A 133 19.668 -0.792 10.391 1.00 0.00 H new ATOM 0 HG SER A 133 17.997 -0.155 12.641 1.00 0.00 H new ATOM 325 N SER A 134 16.122 2.008 10.707 1.00 0.00 N ATOM 326 CA SER A 134 14.642 2.119 10.817 1.00 0.00 C ATOM 327 C SER A 134 14.037 2.190 9.413 1.00 0.00 C ATOM 328 O SER A 134 14.692 1.890 8.434 1.00 0.00 O ATOM 329 CB SER A 134 14.395 3.418 11.572 1.00 0.00 C ATOM 330 OG SER A 134 14.653 3.213 12.956 1.00 0.00 O ATOM 0 H SER A 134 16.638 2.878 10.841 1.00 0.00 H new ATOM 0 HA SER A 134 14.191 1.268 11.328 1.00 0.00 H new ATOM 0 HB2 SER A 134 15.039 4.206 11.183 1.00 0.00 H new ATOM 0 HB3 SER A 134 13.366 3.747 11.427 1.00 0.00 H new ATOM 0 HG SER A 134 14.990 4.043 13.352 1.00 0.00 H new ATOM 336 N THR A 135 12.799 2.584 9.295 1.00 0.00 N ATOM 337 CA THR A 135 12.186 2.669 7.938 1.00 0.00 C ATOM 338 C THR A 135 10.953 3.574 7.949 1.00 0.00 C ATOM 339 O THR A 135 10.406 3.889 8.988 1.00 0.00 O ATOM 340 CB THR A 135 11.797 1.235 7.584 1.00 0.00 C ATOM 341 OG1 THR A 135 12.780 0.341 8.088 1.00 0.00 O ATOM 342 CG2 THR A 135 11.704 1.093 6.065 1.00 0.00 C ATOM 0 H THR A 135 12.190 2.848 10.070 1.00 0.00 H new ATOM 0 HA THR A 135 12.876 3.098 7.211 1.00 0.00 H new ATOM 0 HB THR A 135 10.830 0.998 8.029 1.00 0.00 H new ATOM 0 HG1 THR A 135 13.663 0.602 7.752 1.00 0.00 H new ATOM 0 HG21 THR A 135 11.426 0.070 5.812 1.00 0.00 H new ATOM 0 HG22 THR A 135 10.949 1.779 5.681 1.00 0.00 H new ATOM 0 HG23 THR A 135 12.670 1.328 5.618 1.00 0.00 H new ATOM 350 N PHE A 136 10.510 3.988 6.794 1.00 0.00 N ATOM 351 CA PHE A 136 9.310 4.867 6.721 1.00 0.00 C ATOM 352 C PHE A 136 8.601 4.673 5.378 1.00 0.00 C ATOM 353 O PHE A 136 9.148 4.113 4.449 1.00 0.00 O ATOM 354 CB PHE A 136 9.851 6.293 6.835 1.00 0.00 C ATOM 355 CG PHE A 136 10.814 6.381 7.992 1.00 0.00 C ATOM 356 CD1 PHE A 136 10.326 6.523 9.297 1.00 0.00 C ATOM 357 CD2 PHE A 136 12.192 6.323 7.762 1.00 0.00 C ATOM 358 CE1 PHE A 136 11.219 6.606 10.373 1.00 0.00 C ATOM 359 CE2 PHE A 136 13.085 6.406 8.837 1.00 0.00 C ATOM 360 CZ PHE A 136 12.598 6.547 10.142 1.00 0.00 C ATOM 0 H PHE A 136 10.930 3.754 5.894 1.00 0.00 H new ATOM 0 HA PHE A 136 8.586 4.643 7.504 1.00 0.00 H new ATOM 0 HB2 PHE A 136 10.352 6.577 5.910 1.00 0.00 H new ATOM 0 HB3 PHE A 136 9.029 6.994 6.980 1.00 0.00 H new ATOM 0 HD1 PHE A 136 9.262 6.568 9.474 1.00 0.00 H new ATOM 0 HD2 PHE A 136 12.567 6.214 6.755 1.00 0.00 H new ATOM 0 HE1 PHE A 136 10.844 6.715 11.380 1.00 0.00 H new ATOM 0 HE2 PHE A 136 14.149 6.361 8.660 1.00 0.00 H new ATOM 0 HZ PHE A 136 13.287 6.610 10.971 1.00 0.00 H new ATOM 370 N THR A 137 7.389 5.137 5.269 1.00 0.00 N ATOM 371 CA THR A 137 6.639 4.991 3.989 1.00 0.00 C ATOM 372 C THR A 137 6.261 6.372 3.448 1.00 0.00 C ATOM 373 O THR A 137 6.809 7.377 3.853 1.00 0.00 O ATOM 374 CB THR A 137 5.383 4.196 4.351 1.00 0.00 C ATOM 375 OG1 THR A 137 5.111 4.351 5.736 1.00 0.00 O ATOM 376 CG2 THR A 137 5.600 2.715 4.033 1.00 0.00 C ATOM 0 H THR A 137 6.882 5.614 6.014 1.00 0.00 H new ATOM 0 HA THR A 137 7.226 4.492 3.218 1.00 0.00 H new ATOM 0 HB THR A 137 4.539 4.567 3.770 1.00 0.00 H new ATOM 0 HG1 THR A 137 4.306 3.844 5.970 1.00 0.00 H new ATOM 0 HG21 THR A 137 4.703 2.152 4.292 1.00 0.00 H new ATOM 0 HG22 THR A 137 5.807 2.598 2.969 1.00 0.00 H new ATOM 0 HG23 THR A 137 6.444 2.339 4.611 1.00 0.00 H new ATOM 384 N ASP A 138 5.330 6.431 2.536 1.00 0.00 N ATOM 385 CA ASP A 138 4.926 7.755 1.978 1.00 0.00 C ATOM 386 C ASP A 138 4.287 8.614 3.070 1.00 0.00 C ATOM 387 O ASP A 138 4.667 9.749 3.279 1.00 0.00 O ATOM 388 CB ASP A 138 3.913 7.444 0.878 1.00 0.00 C ATOM 389 CG ASP A 138 2.898 6.415 1.380 1.00 0.00 C ATOM 390 OD1 ASP A 138 3.240 5.245 1.417 1.00 0.00 O ATOM 391 OD2 ASP A 138 1.796 6.815 1.719 1.00 0.00 O ATOM 0 H ASP A 138 4.833 5.626 2.154 1.00 0.00 H new ATOM 0 HA ASP A 138 5.779 8.312 1.591 1.00 0.00 H new ATOM 0 HB2 ASP A 138 3.399 8.357 0.576 1.00 0.00 H new ATOM 0 HB3 ASP A 138 4.427 7.061 -0.004 1.00 0.00 H new ATOM 396 N LEU A 139 3.324 8.086 3.775 1.00 0.00 N ATOM 397 CA LEU A 139 2.680 8.887 4.854 1.00 0.00 C ATOM 398 C LEU A 139 3.759 9.429 5.793 1.00 0.00 C ATOM 399 O LEU A 139 3.607 10.471 6.400 1.00 0.00 O ATOM 400 CB LEU A 139 1.746 7.916 5.581 1.00 0.00 C ATOM 401 CG LEU A 139 2.553 7.017 6.518 1.00 0.00 C ATOM 402 CD1 LEU A 139 2.511 7.591 7.935 1.00 0.00 C ATOM 403 CD2 LEU A 139 1.950 5.610 6.518 1.00 0.00 C ATOM 0 H LEU A 139 2.958 7.142 3.652 1.00 0.00 H new ATOM 0 HA LEU A 139 2.127 9.745 4.471 1.00 0.00 H new ATOM 0 HB2 LEU A 139 1.001 8.472 6.150 1.00 0.00 H new ATOM 0 HB3 LEU A 139 1.205 7.308 4.856 1.00 0.00 H new ATOM 0 HG LEU A 139 3.587 6.969 6.176 1.00 0.00 H new ATOM 0 HD11 LEU A 139 3.086 6.951 8.604 1.00 0.00 H new ATOM 0 HD12 LEU A 139 2.940 8.593 7.934 1.00 0.00 H new ATOM 0 HD13 LEU A 139 1.477 7.639 8.278 1.00 0.00 H new ATOM 0 HD21 LEU A 139 2.524 4.968 7.186 1.00 0.00 H new ATOM 0 HD22 LEU A 139 0.916 5.657 6.860 1.00 0.00 H new ATOM 0 HD23 LEU A 139 1.979 5.202 5.508 1.00 0.00 H new ATOM 415 N GLU A 140 4.861 8.735 5.898 1.00 0.00 N ATOM 416 CA GLU A 140 5.965 9.213 6.775 1.00 0.00 C ATOM 417 C GLU A 140 6.866 10.153 5.976 1.00 0.00 C ATOM 418 O GLU A 140 7.537 11.007 6.520 1.00 0.00 O ATOM 419 CB GLU A 140 6.731 7.952 7.179 1.00 0.00 C ATOM 420 CG GLU A 140 5.755 6.921 7.749 1.00 0.00 C ATOM 421 CD GLU A 140 6.447 6.121 8.854 1.00 0.00 C ATOM 422 OE1 GLU A 140 6.994 6.740 9.752 1.00 0.00 O ATOM 423 OE2 GLU A 140 6.418 4.903 8.784 1.00 0.00 O ATOM 0 H GLU A 140 5.043 7.856 5.413 1.00 0.00 H new ATOM 0 HA GLU A 140 5.606 9.759 7.648 1.00 0.00 H new ATOM 0 HB2 GLU A 140 7.251 7.537 6.315 1.00 0.00 H new ATOM 0 HB3 GLU A 140 7.491 8.198 7.921 1.00 0.00 H new ATOM 0 HG2 GLU A 140 4.872 7.421 8.146 1.00 0.00 H new ATOM 0 HG3 GLU A 140 5.414 6.251 6.959 1.00 0.00 H new ATOM 430 N ALA A 141 6.874 10.001 4.680 1.00 0.00 N ATOM 431 CA ALA A 141 7.716 10.880 3.824 1.00 0.00 C ATOM 432 C ALA A 141 7.249 12.331 3.951 1.00 0.00 C ATOM 433 O ALA A 141 8.039 13.253 3.943 1.00 0.00 O ATOM 434 CB ALA A 141 7.498 10.365 2.400 1.00 0.00 C ATOM 0 H ALA A 141 6.330 9.301 4.176 1.00 0.00 H new ATOM 0 HA ALA A 141 8.768 10.858 4.107 1.00 0.00 H new ATOM 0 HB1 ALA A 141 8.086 10.962 1.703 1.00 0.00 H new ATOM 0 HB2 ALA A 141 7.810 9.323 2.338 1.00 0.00 H new ATOM 0 HB3 ALA A 141 6.442 10.443 2.143 1.00 0.00 H new ATOM 440 N ASN A 142 5.966 12.540 4.071 1.00 0.00 N ATOM 441 CA ASN A 142 5.443 13.930 4.201 1.00 0.00 C ATOM 442 C ASN A 142 5.929 14.561 5.509 1.00 0.00 C ATOM 443 O ASN A 142 6.205 15.743 5.573 1.00 0.00 O ATOM 444 CB ASN A 142 3.922 13.781 4.210 1.00 0.00 C ATOM 445 CG ASN A 142 3.350 14.288 2.884 1.00 0.00 C ATOM 446 OD1 ASN A 142 3.475 15.453 2.562 1.00 0.00 O ATOM 447 ND2 ASN A 142 2.722 13.456 2.098 1.00 0.00 N ATOM 0 H ASN A 142 5.257 11.807 4.085 1.00 0.00 H new ATOM 0 HA ASN A 142 5.785 14.576 3.393 1.00 0.00 H new ATOM 0 HB2 ASN A 142 3.649 12.736 4.360 1.00 0.00 H new ATOM 0 HB3 ASN A 142 3.496 14.344 5.041 1.00 0.00 H new ATOM 0 HD21 ASN A 142 2.336 13.784 1.213 1.00 0.00 H new ATOM 0 HD22 ASN A 142 2.618 12.478 2.369 1.00 0.00 H new ATOM 454 N GLN A 143 6.033 13.785 6.554 1.00 0.00 N ATOM 455 CA GLN A 143 6.498 14.348 7.855 1.00 0.00 C ATOM 456 C GLN A 143 8.002 14.112 8.031 1.00 0.00 C ATOM 457 O GLN A 143 8.644 14.730 8.857 1.00 0.00 O ATOM 458 CB GLN A 143 5.704 13.594 8.923 1.00 0.00 C ATOM 459 CG GLN A 143 6.188 12.143 9.000 1.00 0.00 C ATOM 460 CD GLN A 143 5.660 11.498 10.283 1.00 0.00 C ATOM 461 OE1 GLN A 143 5.993 11.920 11.371 1.00 0.00 O ATOM 462 NE2 GLN A 143 4.845 10.481 10.199 1.00 0.00 N ATOM 0 H GLN A 143 5.817 12.788 6.564 1.00 0.00 H new ATOM 0 HA GLN A 143 6.340 15.425 7.917 1.00 0.00 H new ATOM 0 HB2 GLN A 143 5.826 14.080 9.891 1.00 0.00 H new ATOM 0 HB3 GLN A 143 4.641 13.620 8.685 1.00 0.00 H new ATOM 0 HG2 GLN A 143 5.840 11.586 8.130 1.00 0.00 H new ATOM 0 HG3 GLN A 143 7.277 12.110 8.985 1.00 0.00 H new ATOM 0 HE21 GLN A 143 4.565 10.126 9.285 1.00 0.00 H new ATOM 0 HE22 GLN A 143 4.489 10.042 11.048 1.00 0.00 H new ATOM 471 N LEU A 144 8.568 13.222 7.261 1.00 0.00 N ATOM 472 CA LEU A 144 10.030 12.948 7.387 1.00 0.00 C ATOM 473 C LEU A 144 10.816 13.762 6.354 1.00 0.00 C ATOM 474 O LEU A 144 12.027 13.698 6.294 1.00 0.00 O ATOM 475 CB LEU A 144 10.178 11.452 7.104 1.00 0.00 C ATOM 476 CG LEU A 144 9.580 10.645 8.257 1.00 0.00 C ATOM 477 CD1 LEU A 144 9.684 9.151 7.941 1.00 0.00 C ATOM 478 CD2 LEU A 144 10.351 10.947 9.543 1.00 0.00 C ATOM 0 H LEU A 144 8.083 12.673 6.551 1.00 0.00 H new ATOM 0 HA LEU A 144 10.415 13.222 8.369 1.00 0.00 H new ATOM 0 HB2 LEU A 144 9.675 11.198 6.171 1.00 0.00 H new ATOM 0 HB3 LEU A 144 11.231 11.199 6.978 1.00 0.00 H new ATOM 0 HG LEU A 144 8.533 10.918 8.387 1.00 0.00 H new ATOM 0 HD11 LEU A 144 9.258 8.575 8.762 1.00 0.00 H new ATOM 0 HD12 LEU A 144 9.137 8.934 7.024 1.00 0.00 H new ATOM 0 HD13 LEU A 144 10.731 8.879 7.812 1.00 0.00 H new ATOM 0 HD21 LEU A 144 9.926 10.372 10.366 1.00 0.00 H new ATOM 0 HD22 LEU A 144 11.398 10.673 9.412 1.00 0.00 H new ATOM 0 HD23 LEU A 144 10.280 12.011 9.769 1.00 0.00 H new ATOM 490 N PHE A 145 10.138 14.521 5.536 1.00 0.00 N ATOM 491 CA PHE A 145 10.850 15.330 4.503 1.00 0.00 C ATOM 492 C PHE A 145 11.419 16.613 5.115 1.00 0.00 C ATOM 493 O PHE A 145 10.895 17.143 6.075 1.00 0.00 O ATOM 494 CB PHE A 145 9.782 15.664 3.460 1.00 0.00 C ATOM 495 CG PHE A 145 10.436 16.276 2.245 1.00 0.00 C ATOM 496 CD1 PHE A 145 11.487 15.609 1.605 1.00 0.00 C ATOM 497 CD2 PHE A 145 9.988 17.509 1.755 1.00 0.00 C ATOM 498 CE1 PHE A 145 12.093 16.175 0.477 1.00 0.00 C ATOM 499 CE2 PHE A 145 10.593 18.075 0.626 1.00 0.00 C ATOM 500 CZ PHE A 145 11.645 17.408 -0.013 1.00 0.00 C ATOM 0 H PHE A 145 9.122 14.616 5.538 1.00 0.00 H new ATOM 0 HA PHE A 145 11.693 14.790 4.073 1.00 0.00 H new ATOM 0 HB2 PHE A 145 9.240 14.762 3.178 1.00 0.00 H new ATOM 0 HB3 PHE A 145 9.052 16.356 3.880 1.00 0.00 H new ATOM 0 HD1 PHE A 145 11.831 14.657 1.982 1.00 0.00 H new ATOM 0 HD2 PHE A 145 9.176 18.023 2.248 1.00 0.00 H new ATOM 0 HE1 PHE A 145 12.906 15.661 -0.015 1.00 0.00 H new ATOM 0 HE2 PHE A 145 10.248 19.026 0.248 1.00 0.00 H new ATOM 0 HZ PHE A 145 12.111 17.844 -0.884 1.00 0.00 H new ATOM 510 N ASP A 146 12.486 17.118 4.557 1.00 0.00 N ATOM 511 CA ASP A 146 13.094 18.371 5.091 1.00 0.00 C ATOM 512 C ASP A 146 13.745 19.161 3.950 1.00 0.00 C ATOM 513 O ASP A 146 14.470 18.607 3.148 1.00 0.00 O ATOM 514 CB ASP A 146 14.150 17.905 6.095 1.00 0.00 C ATOM 515 CG ASP A 146 13.745 18.344 7.503 1.00 0.00 C ATOM 516 OD1 ASP A 146 12.575 18.226 7.827 1.00 0.00 O ATOM 517 OD2 ASP A 146 14.612 18.794 8.235 1.00 0.00 O ATOM 0 H ASP A 146 12.965 16.715 3.751 1.00 0.00 H new ATOM 0 HA ASP A 146 12.357 19.026 5.556 1.00 0.00 H new ATOM 0 HB2 ASP A 146 14.251 16.820 6.056 1.00 0.00 H new ATOM 0 HB3 ASP A 146 15.122 18.325 5.837 1.00 0.00 H new ATOM 522 N PRO A 147 13.456 20.435 3.912 1.00 0.00 N ATOM 523 CA PRO A 147 14.012 21.312 2.852 1.00 0.00 C ATOM 524 C PRO A 147 15.497 21.596 3.106 1.00 0.00 C ATOM 525 O PRO A 147 16.274 21.754 2.186 1.00 0.00 O ATOM 526 CB PRO A 147 13.190 22.592 2.982 1.00 0.00 C ATOM 527 CG PRO A 147 12.709 22.604 4.399 1.00 0.00 C ATOM 528 CD PRO A 147 12.592 21.168 4.842 1.00 0.00 C ATOM 0 HA PRO A 147 13.955 20.867 1.859 1.00 0.00 H new ATOM 0 HB2 PRO A 147 13.794 23.472 2.763 1.00 0.00 H new ATOM 0 HB3 PRO A 147 12.355 22.597 2.282 1.00 0.00 H new ATOM 0 HG2 PRO A 147 13.405 23.148 5.037 1.00 0.00 H new ATOM 0 HG3 PRO A 147 11.746 23.110 4.474 1.00 0.00 H new ATOM 0 HD2 PRO A 147 12.919 21.041 5.874 1.00 0.00 H new ATOM 0 HD3 PRO A 147 11.561 20.817 4.789 1.00 0.00 H new ATOM 536 N MET A 148 15.892 21.670 4.347 1.00 0.00 N ATOM 537 CA MET A 148 17.322 21.953 4.660 1.00 0.00 C ATOM 538 C MET A 148 18.237 20.924 3.987 1.00 0.00 C ATOM 539 O MET A 148 19.411 21.164 3.788 1.00 0.00 O ATOM 540 CB MET A 148 17.421 21.841 6.181 1.00 0.00 C ATOM 541 CG MET A 148 16.768 20.536 6.641 1.00 0.00 C ATOM 542 SD MET A 148 17.347 20.126 8.307 1.00 0.00 S ATOM 543 CE MET A 148 16.544 21.500 9.169 1.00 0.00 C ATOM 0 H MET A 148 15.286 21.547 5.159 1.00 0.00 H new ATOM 0 HA MET A 148 17.634 22.932 4.297 1.00 0.00 H new ATOM 0 HB2 MET A 148 18.466 21.866 6.491 1.00 0.00 H new ATOM 0 HB3 MET A 148 16.929 22.692 6.652 1.00 0.00 H new ATOM 0 HG2 MET A 148 15.683 20.639 6.637 1.00 0.00 H new ATOM 0 HG3 MET A 148 17.015 19.730 5.950 1.00 0.00 H new ATOM 0 HE1 MET A 148 16.542 21.305 10.241 1.00 0.00 H new ATOM 0 HE2 MET A 148 17.089 22.423 8.969 1.00 0.00 H new ATOM 0 HE3 MET A 148 15.518 21.601 8.816 1.00 0.00 H new ATOM 553 N THR A 149 17.714 19.781 3.639 1.00 0.00 N ATOM 554 CA THR A 149 18.565 18.746 2.983 1.00 0.00 C ATOM 555 C THR A 149 17.995 18.375 1.611 1.00 0.00 C ATOM 556 O THR A 149 18.704 17.917 0.738 1.00 0.00 O ATOM 557 CB THR A 149 18.520 17.542 3.925 1.00 0.00 C ATOM 558 OG1 THR A 149 19.042 16.402 3.257 1.00 0.00 O ATOM 559 CG2 THR A 149 17.075 17.271 4.346 1.00 0.00 C ATOM 0 H THR A 149 16.738 19.518 3.779 1.00 0.00 H new ATOM 0 HA THR A 149 19.583 19.098 2.816 1.00 0.00 H new ATOM 0 HB THR A 149 19.119 17.752 4.811 1.00 0.00 H new ATOM 0 HG1 THR A 149 18.303 15.844 2.936 1.00 0.00 H new ATOM 0 HG21 THR A 149 17.046 16.413 5.017 1.00 0.00 H new ATOM 0 HG22 THR A 149 16.675 18.146 4.859 1.00 0.00 H new ATOM 0 HG23 THR A 149 16.472 17.061 3.463 1.00 0.00 H new ATOM 567 N GLY A 150 16.720 18.569 1.414 1.00 0.00 N ATOM 568 CA GLY A 150 16.111 18.226 0.099 1.00 0.00 C ATOM 569 C GLY A 150 15.739 16.743 0.081 1.00 0.00 C ATOM 570 O GLY A 150 15.513 16.161 -0.962 1.00 0.00 O ATOM 0 H GLY A 150 16.075 18.950 2.106 1.00 0.00 H new ATOM 0 HA2 GLY A 150 15.225 18.836 -0.074 1.00 0.00 H new ATOM 0 HA3 GLY A 150 16.811 18.446 -0.707 1.00 0.00 H new ATOM 574 N THR A 151 15.673 16.126 1.228 1.00 0.00 N ATOM 575 CA THR A 151 15.315 14.679 1.281 1.00 0.00 C ATOM 576 C THR A 151 14.515 14.383 2.552 1.00 0.00 C ATOM 577 O THR A 151 13.947 15.269 3.159 1.00 0.00 O ATOM 578 CB THR A 151 16.655 13.939 1.307 1.00 0.00 C ATOM 579 OG1 THR A 151 17.687 14.842 1.674 1.00 0.00 O ATOM 580 CG2 THR A 151 16.949 13.363 -0.079 1.00 0.00 C ATOM 0 H THR A 151 15.852 16.561 2.133 1.00 0.00 H new ATOM 0 HA THR A 151 14.698 14.374 0.436 1.00 0.00 H new ATOM 0 HB THR A 151 16.607 13.127 2.033 1.00 0.00 H new ATOM 0 HG1 THR A 151 18.545 14.368 1.692 1.00 0.00 H new ATOM 0 HG21 THR A 151 17.903 12.836 -0.059 1.00 0.00 H new ATOM 0 HG22 THR A 151 16.157 12.669 -0.360 1.00 0.00 H new ATOM 0 HG23 THR A 151 16.997 14.173 -0.807 1.00 0.00 H new ATOM 588 N PHE A 152 14.466 13.144 2.961 1.00 0.00 N ATOM 589 CA PHE A 152 13.706 12.797 4.193 1.00 0.00 C ATOM 590 C PHE A 152 14.678 12.469 5.331 1.00 0.00 C ATOM 591 O PHE A 152 15.622 11.726 5.156 1.00 0.00 O ATOM 592 CB PHE A 152 12.876 11.571 3.813 1.00 0.00 C ATOM 593 CG PHE A 152 12.042 11.892 2.596 1.00 0.00 C ATOM 594 CD1 PHE A 152 12.564 11.678 1.314 1.00 0.00 C ATOM 595 CD2 PHE A 152 10.747 12.404 2.748 1.00 0.00 C ATOM 596 CE1 PHE A 152 11.791 11.977 0.185 1.00 0.00 C ATOM 597 CE2 PHE A 152 9.976 12.703 1.618 1.00 0.00 C ATOM 598 CZ PHE A 152 10.497 12.490 0.337 1.00 0.00 C ATOM 0 H PHE A 152 14.920 12.358 2.495 1.00 0.00 H new ATOM 0 HA PHE A 152 13.077 13.616 4.542 1.00 0.00 H new ATOM 0 HB2 PHE A 152 13.530 10.724 3.607 1.00 0.00 H new ATOM 0 HB3 PHE A 152 12.232 11.282 4.644 1.00 0.00 H new ATOM 0 HD1 PHE A 152 13.562 11.283 1.196 1.00 0.00 H new ATOM 0 HD2 PHE A 152 10.343 12.568 3.736 1.00 0.00 H new ATOM 0 HE1 PHE A 152 12.193 11.812 -0.804 1.00 0.00 H new ATOM 0 HE2 PHE A 152 8.978 13.099 1.735 1.00 0.00 H new ATOM 0 HZ PHE A 152 9.902 12.721 -0.534 1.00 0.00 H new ATOM 608 N ARG A 153 14.461 13.027 6.492 1.00 0.00 N ATOM 609 CA ARG A 153 15.384 12.752 7.631 1.00 0.00 C ATOM 610 C ARG A 153 14.733 11.808 8.645 1.00 0.00 C ATOM 611 O ARG A 153 13.555 11.897 8.930 1.00 0.00 O ATOM 612 CB ARG A 153 15.641 14.118 8.271 1.00 0.00 C ATOM 613 CG ARG A 153 16.858 14.772 7.613 1.00 0.00 C ATOM 614 CD ARG A 153 17.271 16.005 8.419 1.00 0.00 C ATOM 615 NE ARG A 153 18.759 16.006 8.381 1.00 0.00 N ATOM 616 CZ ARG A 153 19.420 17.087 8.695 1.00 0.00 C ATOM 617 NH1 ARG A 153 19.214 17.668 9.845 1.00 0.00 N ATOM 618 NH2 ARG A 153 20.286 17.587 7.857 1.00 0.00 N ATOM 0 H ARG A 153 13.688 13.659 6.700 1.00 0.00 H new ATOM 0 HA ARG A 153 16.303 12.269 7.298 1.00 0.00 H new ATOM 0 HB2 ARG A 153 14.765 14.756 8.154 1.00 0.00 H new ATOM 0 HB3 ARG A 153 15.811 14.003 9.341 1.00 0.00 H new ATOM 0 HG2 ARG A 153 17.684 14.062 7.564 1.00 0.00 H new ATOM 0 HG3 ARG A 153 16.622 15.057 6.588 1.00 0.00 H new ATOM 0 HD2 ARG A 153 16.864 16.917 7.982 1.00 0.00 H new ATOM 0 HD3 ARG A 153 16.902 15.950 9.443 1.00 0.00 H new ATOM 0 HE ARG A 153 19.262 15.162 8.109 1.00 0.00 H new ATOM 0 HH11 ARG A 153 18.536 17.278 10.499 1.00 0.00 H new ATOM 0 HH12 ARG A 153 19.731 18.513 10.090 1.00 0.00 H new ATOM 0 HH21 ARG A 153 20.446 17.133 6.958 1.00 0.00 H new ATOM 0 HH22 ARG A 153 20.803 18.432 8.101 1.00 0.00 H new ATOM 632 N CYS A 154 15.501 10.910 9.197 1.00 0.00 N ATOM 633 CA CYS A 154 14.950 9.959 10.206 1.00 0.00 C ATOM 634 C CYS A 154 14.116 10.723 11.240 1.00 0.00 C ATOM 635 O CYS A 154 14.036 11.935 11.209 1.00 0.00 O ATOM 636 CB CYS A 154 16.192 9.350 10.855 1.00 0.00 C ATOM 637 SG CYS A 154 15.748 7.890 11.820 1.00 0.00 S ATOM 0 H CYS A 154 16.493 10.793 8.992 1.00 0.00 H new ATOM 0 HA CYS A 154 14.296 9.203 9.772 1.00 0.00 H new ATOM 0 HB2 CYS A 154 16.916 9.079 10.086 1.00 0.00 H new ATOM 0 HB3 CYS A 154 16.672 10.087 11.499 1.00 0.00 H new ATOM 0 HG CYS A 154 16.792 7.464 12.468 1.00 0.00 H new ATOM 642 N THR A 155 13.494 10.029 12.156 1.00 0.00 N ATOM 643 CA THR A 155 12.669 10.732 13.181 1.00 0.00 C ATOM 644 C THR A 155 13.207 10.458 14.590 1.00 0.00 C ATOM 645 O THR A 155 12.924 11.187 15.520 1.00 0.00 O ATOM 646 CB THR A 155 11.255 10.164 13.025 1.00 0.00 C ATOM 647 OG1 THR A 155 11.226 9.243 11.943 1.00 0.00 O ATOM 648 CG2 THR A 155 10.276 11.307 12.750 1.00 0.00 C ATOM 0 H THR A 155 13.521 9.013 12.239 1.00 0.00 H new ATOM 0 HA THR A 155 12.689 11.813 13.043 1.00 0.00 H new ATOM 0 HB THR A 155 10.968 9.650 13.942 1.00 0.00 H new ATOM 0 HG1 THR A 155 11.413 8.341 12.276 1.00 0.00 H new ATOM 0 HG21 THR A 155 9.269 10.905 12.639 1.00 0.00 H new ATOM 0 HG22 THR A 155 10.296 12.011 13.582 1.00 0.00 H new ATOM 0 HG23 THR A 155 10.565 11.821 11.833 1.00 0.00 H new ATOM 656 N PHE A 156 13.984 9.423 14.760 1.00 0.00 N ATOM 657 CA PHE A 156 14.532 9.130 16.119 1.00 0.00 C ATOM 658 C PHE A 156 16.044 9.358 16.134 1.00 0.00 C ATOM 659 O PHE A 156 16.598 9.847 17.099 1.00 0.00 O ATOM 660 CB PHE A 156 14.203 7.664 16.448 1.00 0.00 C ATOM 661 CG PHE A 156 13.642 6.936 15.247 1.00 0.00 C ATOM 662 CD1 PHE A 156 14.487 6.560 14.200 1.00 0.00 C ATOM 663 CD2 PHE A 156 12.275 6.639 15.187 1.00 0.00 C ATOM 664 CE1 PHE A 156 13.966 5.888 13.090 1.00 0.00 C ATOM 665 CE2 PHE A 156 11.753 5.965 14.078 1.00 0.00 C ATOM 666 CZ PHE A 156 12.599 5.590 13.028 1.00 0.00 C ATOM 0 H PHE A 156 14.262 8.772 14.026 1.00 0.00 H new ATOM 0 HA PHE A 156 14.089 9.791 16.864 1.00 0.00 H new ATOM 0 HB2 PHE A 156 15.104 7.157 16.793 1.00 0.00 H new ATOM 0 HB3 PHE A 156 13.483 7.627 17.266 1.00 0.00 H new ATOM 0 HD1 PHE A 156 15.542 6.788 14.248 1.00 0.00 H new ATOM 0 HD2 PHE A 156 11.623 6.930 15.997 1.00 0.00 H new ATOM 0 HE1 PHE A 156 14.618 5.598 12.280 1.00 0.00 H new ATOM 0 HE2 PHE A 156 10.699 5.734 14.032 1.00 0.00 H new ATOM 0 HZ PHE A 156 12.198 5.071 12.170 1.00 0.00 H new ATOM 676 N CYS A 157 16.716 9.020 15.071 1.00 0.00 N ATOM 677 CA CYS A 157 18.188 9.236 15.027 1.00 0.00 C ATOM 678 C CYS A 157 18.524 10.269 13.934 1.00 0.00 C ATOM 679 O CYS A 157 19.651 10.403 13.501 1.00 0.00 O ATOM 680 CB CYS A 157 18.783 7.835 14.774 1.00 0.00 C ATOM 681 SG CYS A 157 19.292 7.617 13.050 1.00 0.00 S ATOM 0 H CYS A 157 16.311 8.604 14.232 1.00 0.00 H new ATOM 0 HA CYS A 157 18.607 9.652 15.944 1.00 0.00 H new ATOM 0 HB2 CYS A 157 19.642 7.682 15.428 1.00 0.00 H new ATOM 0 HB3 CYS A 157 18.046 7.075 15.033 1.00 0.00 H new ATOM 0 HG CYS A 157 18.723 6.556 12.560 1.00 0.00 H new ATOM 686 N HIS A 158 17.530 11.014 13.521 1.00 0.00 N ATOM 687 CA HIS A 158 17.713 12.085 12.489 1.00 0.00 C ATOM 688 C HIS A 158 18.746 11.723 11.413 1.00 0.00 C ATOM 689 O HIS A 158 19.364 12.594 10.832 1.00 0.00 O ATOM 690 CB HIS A 158 18.177 13.306 13.281 1.00 0.00 C ATOM 691 CG HIS A 158 16.979 13.972 13.902 1.00 0.00 C ATOM 692 ND1 HIS A 158 16.293 14.997 13.269 1.00 0.00 N ATOM 693 CD2 HIS A 158 16.324 13.761 15.090 1.00 0.00 C ATOM 694 CE1 HIS A 158 15.275 15.360 14.072 1.00 0.00 C ATOM 695 NE2 HIS A 158 15.249 14.638 15.195 1.00 0.00 N ATOM 0 H HIS A 158 16.574 10.923 13.864 1.00 0.00 H new ATOM 0 HA HIS A 158 16.786 12.249 11.940 1.00 0.00 H new ATOM 0 HB2 HIS A 158 18.884 13.006 14.054 1.00 0.00 H new ATOM 0 HB3 HIS A 158 18.698 14.004 12.626 1.00 0.00 H new ATOM 0 HD2 HIS A 158 16.601 13.026 15.831 1.00 0.00 H new ATOM 0 HE1 HIS A 158 14.566 16.140 13.837 1.00 0.00 H new ATOM 0 HE2 HIS A 158 14.584 14.713 15.965 1.00 0.00 H new ATOM 703 N THR A 159 18.930 10.469 11.112 1.00 0.00 N ATOM 704 CA THR A 159 19.910 10.114 10.043 1.00 0.00 C ATOM 705 C THR A 159 19.218 10.159 8.676 1.00 0.00 C ATOM 706 O THR A 159 18.085 9.747 8.530 1.00 0.00 O ATOM 707 CB THR A 159 20.361 8.692 10.370 1.00 0.00 C ATOM 708 OG1 THR A 159 21.247 8.723 11.479 1.00 0.00 O ATOM 709 CG2 THR A 159 21.073 8.085 9.154 1.00 0.00 C ATOM 0 H THR A 159 18.453 9.682 11.552 1.00 0.00 H new ATOM 0 HA THR A 159 20.753 10.803 10.003 1.00 0.00 H new ATOM 0 HB THR A 159 19.493 8.081 10.617 1.00 0.00 H new ATOM 0 HG1 THR A 159 20.750 8.527 12.301 1.00 0.00 H new ATOM 0 HG21 THR A 159 21.394 7.070 9.389 1.00 0.00 H new ATOM 0 HG22 THR A 159 20.389 8.062 8.306 1.00 0.00 H new ATOM 0 HG23 THR A 159 21.943 8.691 8.902 1.00 0.00 H new ATOM 717 N GLU A 160 19.885 10.656 7.671 1.00 0.00 N ATOM 718 CA GLU A 160 19.250 10.722 6.321 1.00 0.00 C ATOM 719 C GLU A 160 18.727 9.342 5.913 1.00 0.00 C ATOM 720 O GLU A 160 19.409 8.346 6.043 1.00 0.00 O ATOM 721 CB GLU A 160 20.366 11.172 5.378 1.00 0.00 C ATOM 722 CG GLU A 160 19.834 11.210 3.943 1.00 0.00 C ATOM 723 CD GLU A 160 20.821 11.964 3.050 1.00 0.00 C ATOM 724 OE1 GLU A 160 20.963 13.161 3.236 1.00 0.00 O ATOM 725 OE2 GLU A 160 21.418 11.332 2.195 1.00 0.00 O ATOM 0 H GLU A 160 20.837 11.018 7.724 1.00 0.00 H new ATOM 0 HA GLU A 160 18.399 11.403 6.299 1.00 0.00 H new ATOM 0 HB2 GLU A 160 20.728 12.158 5.670 1.00 0.00 H new ATOM 0 HB3 GLU A 160 21.212 10.489 5.446 1.00 0.00 H new ATOM 0 HG2 GLU A 160 19.692 10.196 3.570 1.00 0.00 H new ATOM 0 HG3 GLU A 160 18.860 11.698 3.918 1.00 0.00 H new ATOM 732 N VAL A 161 17.519 9.275 5.419 1.00 0.00 N ATOM 733 CA VAL A 161 16.955 7.957 5.003 1.00 0.00 C ATOM 734 C VAL A 161 17.017 7.810 3.481 1.00 0.00 C ATOM 735 O VAL A 161 17.204 8.772 2.761 1.00 0.00 O ATOM 736 CB VAL A 161 15.501 7.975 5.476 1.00 0.00 C ATOM 737 CG1 VAL A 161 15.455 8.129 6.996 1.00 0.00 C ATOM 738 CG2 VAL A 161 14.769 9.149 4.822 1.00 0.00 C ATOM 0 H VAL A 161 16.899 10.074 5.286 1.00 0.00 H new ATOM 0 HA VAL A 161 17.512 7.122 5.428 1.00 0.00 H new ATOM 0 HB VAL A 161 15.018 7.040 5.194 1.00 0.00 H new ATOM 0 HG11 VAL A 161 14.417 8.141 7.329 1.00 0.00 H new ATOM 0 HG12 VAL A 161 15.976 7.293 7.462 1.00 0.00 H new ATOM 0 HG13 VAL A 161 15.939 9.063 7.282 1.00 0.00 H new ATOM 0 HG21 VAL A 161 13.732 9.164 5.158 1.00 0.00 H new ATOM 0 HG22 VAL A 161 15.255 10.083 5.104 1.00 0.00 H new ATOM 0 HG23 VAL A 161 14.798 9.037 3.738 1.00 0.00 H new ATOM 748 N GLU A 162 16.859 6.614 2.984 1.00 0.00 N ATOM 749 CA GLU A 162 16.903 6.407 1.509 1.00 0.00 C ATOM 750 C GLU A 162 15.849 5.379 1.089 1.00 0.00 C ATOM 751 O GLU A 162 15.366 4.608 1.895 1.00 0.00 O ATOM 752 CB GLU A 162 18.310 5.879 1.224 1.00 0.00 C ATOM 753 CG GLU A 162 19.258 7.056 0.983 1.00 0.00 C ATOM 754 CD GLU A 162 19.689 7.073 -0.485 1.00 0.00 C ATOM 755 OE1 GLU A 162 19.967 6.008 -1.013 1.00 0.00 O ATOM 756 OE2 GLU A 162 19.734 8.150 -1.057 1.00 0.00 O ATOM 0 H GLU A 162 16.701 5.771 3.536 1.00 0.00 H new ATOM 0 HA GLU A 162 16.692 7.323 0.957 1.00 0.00 H new ATOM 0 HB2 GLU A 162 18.662 5.281 2.064 1.00 0.00 H new ATOM 0 HB3 GLU A 162 18.295 5.226 0.352 1.00 0.00 H new ATOM 0 HG2 GLU A 162 18.763 7.993 1.239 1.00 0.00 H new ATOM 0 HG3 GLU A 162 20.132 6.971 1.629 1.00 0.00 H new ATOM 763 N GLU A 163 15.489 5.363 -0.164 1.00 0.00 N ATOM 764 CA GLU A 163 14.464 4.386 -0.632 1.00 0.00 C ATOM 765 C GLU A 163 14.848 2.968 -0.201 1.00 0.00 C ATOM 766 O GLU A 163 15.990 2.565 -0.302 1.00 0.00 O ATOM 767 CB GLU A 163 14.470 4.504 -2.156 1.00 0.00 C ATOM 768 CG GLU A 163 13.145 5.106 -2.626 1.00 0.00 C ATOM 769 CD GLU A 163 13.102 5.121 -4.155 1.00 0.00 C ATOM 770 OE1 GLU A 163 14.145 5.322 -4.755 1.00 0.00 O ATOM 771 OE2 GLU A 163 12.028 4.930 -4.700 1.00 0.00 O ATOM 0 H GLU A 163 15.859 5.983 -0.884 1.00 0.00 H new ATOM 0 HA GLU A 163 13.479 4.589 -0.212 1.00 0.00 H new ATOM 0 HB2 GLU A 163 15.301 5.130 -2.480 1.00 0.00 H new ATOM 0 HB3 GLU A 163 14.616 3.522 -2.607 1.00 0.00 H new ATOM 0 HG2 GLU A 163 12.310 4.524 -2.234 1.00 0.00 H new ATOM 0 HG3 GLU A 163 13.037 6.119 -2.239 1.00 0.00 H new ATOM 778 N ASP A 164 13.903 2.207 0.281 1.00 0.00 N ATOM 779 CA ASP A 164 14.214 0.816 0.718 1.00 0.00 C ATOM 780 C ASP A 164 14.121 -0.144 -0.470 1.00 0.00 C ATOM 781 O ASP A 164 13.048 -0.532 -0.885 1.00 0.00 O ATOM 782 CB ASP A 164 13.147 0.483 1.762 1.00 0.00 C ATOM 783 CG ASP A 164 13.245 -0.996 2.139 1.00 0.00 C ATOM 784 OD1 ASP A 164 14.139 -1.658 1.639 1.00 0.00 O ATOM 785 OD2 ASP A 164 12.423 -1.442 2.924 1.00 0.00 O ATOM 0 H ASP A 164 12.929 2.489 0.391 1.00 0.00 H new ATOM 0 HA ASP A 164 15.222 0.724 1.121 1.00 0.00 H new ATOM 0 HB2 ASP A 164 13.283 1.104 2.647 1.00 0.00 H new ATOM 0 HB3 ASP A 164 12.155 0.703 1.367 1.00 0.00 H new