USER MOD reduce.3.24.130724 H: found=0, std=0, add=276, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 272 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 129 CYS SG : rot -152:sc= -2.3! USER MOD Set 1.2: A 132 CYS SG : rot 112:sc= -2! USER MOD Set 1.3: A 134 SER OG : rot -159:sc= 2.5 USER MOD Set 1.4: A 154 CYS SG : rot 124:sc= -6.04! USER MOD Set 1.5: A 157 CYS SG : rot -66:sc= -2.38! USER MOD Set 1.6: A 159 THR OG1 : rot 112:sc= -0.881 USER MOD Set 2.1: A 149 THR OG1 : rot -84:sc= 1.2 USER MOD Set 2.2: A 151 THR OG1 : rot 180:sc= 1.02 USER MOD Single : A 126 SER OG : rot 10:sc= 0.761 USER MOD Single : A 128 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 133 SER OG : rot 45:sc= -0.371! USER MOD Single : A 135 THR OG1 : rot 180:sc= -0.945 USER MOD Single : A 137 THR OG1 : rot -130:sc= -3.37! USER MOD Single : A 142 ASN : amide:sc= 0 X(o=0,f=-0.033) USER MOD Single : A 143 GLN : amide:sc= -1.31 X(o=-1.3,f=-0.98) USER MOD Single : A 148 MET CE :methyl -163:sc= -0.013 (180deg=-0.427) USER MOD Single : A 155 THR OG1 : rot 92:sc= -0.358 USER MOD Single : A 158 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 211 N SER A 126 8.587 4.086 0.146 1.00 0.00 N ATOM 212 CA SER A 126 9.202 3.351 1.288 1.00 0.00 C ATOM 213 C SER A 126 10.652 3.796 1.490 1.00 0.00 C ATOM 214 O SER A 126 11.507 3.557 0.661 1.00 0.00 O ATOM 215 CB SER A 126 9.144 1.878 0.887 1.00 0.00 C ATOM 216 OG SER A 126 10.060 1.643 -0.174 1.00 0.00 O ATOM 0 HA SER A 126 8.681 3.540 2.227 1.00 0.00 H new ATOM 0 HB2 SER A 126 9.390 1.247 1.741 1.00 0.00 H new ATOM 0 HB3 SER A 126 8.133 1.614 0.575 1.00 0.00 H new ATOM 0 HG SER A 126 10.627 2.433 -0.298 1.00 0.00 H new ATOM 222 N PHE A 127 10.936 4.438 2.590 1.00 0.00 N ATOM 223 CA PHE A 127 12.330 4.896 2.848 1.00 0.00 C ATOM 224 C PHE A 127 12.919 4.142 4.043 1.00 0.00 C ATOM 225 O PHE A 127 12.213 3.759 4.955 1.00 0.00 O ATOM 226 CB PHE A 127 12.209 6.387 3.162 1.00 0.00 C ATOM 227 CG PHE A 127 11.310 7.043 2.145 1.00 0.00 C ATOM 228 CD1 PHE A 127 11.840 7.492 0.929 1.00 0.00 C ATOM 229 CD2 PHE A 127 9.946 7.204 2.416 1.00 0.00 C ATOM 230 CE1 PHE A 127 11.005 8.102 -0.015 1.00 0.00 C ATOM 231 CE2 PHE A 127 9.112 7.813 1.471 1.00 0.00 C ATOM 232 CZ PHE A 127 9.641 8.263 0.256 1.00 0.00 C ATOM 0 H PHE A 127 10.262 4.665 3.321 1.00 0.00 H new ATOM 0 HA PHE A 127 12.988 4.713 1.999 1.00 0.00 H new ATOM 0 HB2 PHE A 127 11.805 6.527 4.165 1.00 0.00 H new ATOM 0 HB3 PHE A 127 13.194 6.854 3.147 1.00 0.00 H new ATOM 0 HD1 PHE A 127 12.892 7.368 0.719 1.00 0.00 H new ATOM 0 HD2 PHE A 127 9.537 6.858 3.354 1.00 0.00 H new ATOM 0 HE1 PHE A 127 11.413 8.449 -0.953 1.00 0.00 H new ATOM 0 HE2 PHE A 127 8.059 7.936 1.680 1.00 0.00 H new ATOM 0 HZ PHE A 127 8.997 8.734 -0.472 1.00 0.00 H new ATOM 242 N LYS A 128 14.204 3.929 4.046 1.00 0.00 N ATOM 243 CA LYS A 128 14.833 3.203 5.182 1.00 0.00 C ATOM 244 C LYS A 128 16.028 3.994 5.721 1.00 0.00 C ATOM 245 O LYS A 128 16.713 4.683 4.991 1.00 0.00 O ATOM 246 CB LYS A 128 15.278 1.856 4.603 1.00 0.00 C ATOM 247 CG LYS A 128 16.363 1.239 5.493 1.00 0.00 C ATOM 248 CD LYS A 128 16.100 -0.259 5.661 1.00 0.00 C ATOM 249 CE LYS A 128 16.253 -0.644 7.136 1.00 0.00 C ATOM 250 NZ LYS A 128 16.933 -1.970 7.120 1.00 0.00 N ATOM 0 H LYS A 128 14.846 4.226 3.311 1.00 0.00 H new ATOM 0 HA LYS A 128 14.147 3.070 6.018 1.00 0.00 H new ATOM 0 HB2 LYS A 128 14.425 1.181 4.533 1.00 0.00 H new ATOM 0 HB3 LYS A 128 15.660 1.993 3.591 1.00 0.00 H new ATOM 0 HG2 LYS A 128 17.346 1.398 5.049 1.00 0.00 H new ATOM 0 HG3 LYS A 128 16.370 1.729 6.467 1.00 0.00 H new ATOM 0 HD2 LYS A 128 15.097 -0.504 5.313 1.00 0.00 H new ATOM 0 HD3 LYS A 128 16.798 -0.832 5.051 1.00 0.00 H new ATOM 0 HE2 LYS A 128 16.843 0.095 7.678 1.00 0.00 H new ATOM 0 HE3 LYS A 128 15.284 -0.703 7.631 1.00 0.00 H new ATOM 0 HZ1 LYS A 128 17.073 -2.300 8.096 1.00 0.00 H new ATOM 0 HZ2 LYS A 128 16.345 -2.655 6.604 1.00 0.00 H new ATOM 0 HZ3 LYS A 128 17.856 -1.881 6.649 1.00 0.00 H new ATOM 264 N CYS A 129 16.275 3.901 6.997 1.00 0.00 N ATOM 265 CA CYS A 129 17.415 4.644 7.600 1.00 0.00 C ATOM 266 C CYS A 129 18.659 3.749 7.657 1.00 0.00 C ATOM 267 O CYS A 129 18.581 2.604 8.052 1.00 0.00 O ATOM 268 CB CYS A 129 16.934 5.000 9.003 1.00 0.00 C ATOM 269 SG CYS A 129 18.194 5.967 9.853 1.00 0.00 S ATOM 0 H CYS A 129 15.732 3.338 7.652 1.00 0.00 H new ATOM 0 HA CYS A 129 17.696 5.527 7.026 1.00 0.00 H new ATOM 0 HB2 CYS A 129 16.005 5.567 8.946 1.00 0.00 H new ATOM 0 HB3 CYS A 129 16.719 4.091 9.565 1.00 0.00 H new ATOM 0 HG CYS A 129 18.097 5.775 11.135 1.00 0.00 H new ATOM 274 N PRO A 130 19.769 4.304 7.245 1.00 0.00 N ATOM 275 CA PRO A 130 21.044 3.544 7.232 1.00 0.00 C ATOM 276 C PRO A 130 21.648 3.426 8.640 1.00 0.00 C ATOM 277 O PRO A 130 22.468 2.567 8.895 1.00 0.00 O ATOM 278 CB PRO A 130 21.947 4.384 6.335 1.00 0.00 C ATOM 279 CG PRO A 130 21.403 5.777 6.418 1.00 0.00 C ATOM 280 CD PRO A 130 19.935 5.675 6.753 1.00 0.00 C ATOM 0 HA PRO A 130 20.913 2.520 6.882 1.00 0.00 H new ATOM 0 HB2 PRO A 130 22.983 4.346 6.673 1.00 0.00 H new ATOM 0 HB3 PRO A 130 21.933 4.017 5.309 1.00 0.00 H new ATOM 0 HG2 PRO A 130 21.931 6.349 7.181 1.00 0.00 H new ATOM 0 HG3 PRO A 130 21.544 6.300 5.472 1.00 0.00 H new ATOM 0 HD2 PRO A 130 19.648 6.406 7.509 1.00 0.00 H new ATOM 0 HD3 PRO A 130 19.313 5.861 5.877 1.00 0.00 H new ATOM 288 N VAL A 131 21.271 4.284 9.550 1.00 0.00 N ATOM 289 CA VAL A 131 21.855 4.205 10.922 1.00 0.00 C ATOM 290 C VAL A 131 21.035 3.277 11.821 1.00 0.00 C ATOM 291 O VAL A 131 21.468 2.194 12.162 1.00 0.00 O ATOM 292 CB VAL A 131 21.837 5.638 11.455 1.00 0.00 C ATOM 293 CG1 VAL A 131 21.999 5.629 12.978 1.00 0.00 C ATOM 294 CG2 VAL A 131 22.999 6.417 10.831 1.00 0.00 C ATOM 0 H VAL A 131 20.590 5.030 9.406 1.00 0.00 H new ATOM 0 HA VAL A 131 22.864 3.793 10.903 1.00 0.00 H new ATOM 0 HB VAL A 131 20.888 6.109 11.197 1.00 0.00 H new ATOM 0 HG11 VAL A 131 21.985 6.653 13.351 1.00 0.00 H new ATOM 0 HG12 VAL A 131 21.180 5.068 13.428 1.00 0.00 H new ATOM 0 HG13 VAL A 131 22.947 5.160 13.240 1.00 0.00 H new ATOM 0 HG21 VAL A 131 22.994 7.441 11.206 1.00 0.00 H new ATOM 0 HG22 VAL A 131 23.942 5.938 11.096 1.00 0.00 H new ATOM 0 HG23 VAL A 131 22.889 6.427 9.747 1.00 0.00 H new ATOM 304 N CYS A 132 19.864 3.686 12.218 1.00 0.00 N ATOM 305 CA CYS A 132 19.047 2.806 13.104 1.00 0.00 C ATOM 306 C CYS A 132 18.225 1.814 12.265 1.00 0.00 C ATOM 307 O CYS A 132 17.301 1.188 12.744 1.00 0.00 O ATOM 308 CB CYS A 132 18.159 3.752 13.923 1.00 0.00 C ATOM 309 SG CYS A 132 16.792 4.365 12.916 1.00 0.00 S ATOM 0 H CYS A 132 19.439 4.580 11.972 1.00 0.00 H new ATOM 0 HA CYS A 132 19.663 2.195 13.764 1.00 0.00 H new ATOM 0 HB2 CYS A 132 17.769 3.229 14.797 1.00 0.00 H new ATOM 0 HB3 CYS A 132 18.752 4.590 14.291 1.00 0.00 H new ATOM 0 HG CYS A 132 15.673 3.873 13.358 1.00 0.00 H new ATOM 314 N SER A 133 18.590 1.651 11.018 1.00 0.00 N ATOM 315 CA SER A 133 17.883 0.680 10.124 1.00 0.00 C ATOM 316 C SER A 133 16.362 0.791 10.238 1.00 0.00 C ATOM 317 O SER A 133 15.646 -0.153 9.967 1.00 0.00 O ATOM 318 CB SER A 133 18.349 -0.701 10.588 1.00 0.00 C ATOM 319 OG SER A 133 18.412 -0.727 12.008 1.00 0.00 O ATOM 0 H SER A 133 19.358 2.156 10.575 1.00 0.00 H new ATOM 0 HA SER A 133 18.117 0.875 9.077 1.00 0.00 H new ATOM 0 HB2 SER A 133 17.662 -1.468 10.230 1.00 0.00 H new ATOM 0 HB3 SER A 133 19.328 -0.927 10.166 1.00 0.00 H new ATOM 0 HG SER A 133 17.608 -0.308 12.379 1.00 0.00 H new ATOM 325 N SER A 134 15.852 1.927 10.612 1.00 0.00 N ATOM 326 CA SER A 134 14.373 2.064 10.707 1.00 0.00 C ATOM 327 C SER A 134 13.784 2.164 9.298 1.00 0.00 C ATOM 328 O SER A 134 14.458 1.909 8.320 1.00 0.00 O ATOM 329 CB SER A 134 14.137 3.356 11.481 1.00 0.00 C ATOM 330 OG SER A 134 14.133 3.075 12.874 1.00 0.00 O ATOM 0 H SER A 134 16.388 2.761 10.854 1.00 0.00 H new ATOM 0 HA SER A 134 13.903 1.214 11.201 1.00 0.00 H new ATOM 0 HB2 SER A 134 14.916 4.081 11.247 1.00 0.00 H new ATOM 0 HB3 SER A 134 13.187 3.802 11.186 1.00 0.00 H new ATOM 0 HG SER A 134 13.660 3.789 13.350 1.00 0.00 H new ATOM 336 N THR A 135 12.539 2.533 9.177 1.00 0.00 N ATOM 337 CA THR A 135 11.942 2.643 7.817 1.00 0.00 C ATOM 338 C THR A 135 10.762 3.615 7.818 1.00 0.00 C ATOM 339 O THR A 135 10.174 3.899 8.844 1.00 0.00 O ATOM 340 CB THR A 135 11.471 1.233 7.466 1.00 0.00 C ATOM 341 OG1 THR A 135 12.401 0.286 7.972 1.00 0.00 O ATOM 342 CG2 THR A 135 11.376 1.099 5.945 1.00 0.00 C ATOM 0 H THR A 135 11.915 2.761 9.951 1.00 0.00 H new ATOM 0 HA THR A 135 12.661 3.025 7.093 1.00 0.00 H new ATOM 0 HB THR A 135 10.492 1.050 7.909 1.00 0.00 H new ATOM 0 HG1 THR A 135 12.100 -0.620 7.749 1.00 0.00 H new ATOM 0 HG21 THR A 135 11.040 0.094 5.689 1.00 0.00 H new ATOM 0 HG22 THR A 135 10.664 1.829 5.559 1.00 0.00 H new ATOM 0 HG23 THR A 135 12.356 1.278 5.502 1.00 0.00 H new ATOM 350 N PHE A 136 10.415 4.125 6.670 1.00 0.00 N ATOM 351 CA PHE A 136 9.276 5.078 6.589 1.00 0.00 C ATOM 352 C PHE A 136 8.564 4.932 5.243 1.00 0.00 C ATOM 353 O PHE A 136 9.079 4.342 4.314 1.00 0.00 O ATOM 354 CB PHE A 136 9.906 6.465 6.708 1.00 0.00 C ATOM 355 CG PHE A 136 10.878 6.480 7.864 1.00 0.00 C ATOM 356 CD1 PHE A 136 10.399 6.448 9.179 1.00 0.00 C ATOM 357 CD2 PHE A 136 12.255 6.527 7.621 1.00 0.00 C ATOM 358 CE1 PHE A 136 11.298 6.463 10.251 1.00 0.00 C ATOM 359 CE2 PHE A 136 13.155 6.541 8.693 1.00 0.00 C ATOM 360 CZ PHE A 136 12.676 6.510 10.008 1.00 0.00 C ATOM 0 H PHE A 136 10.873 3.922 5.782 1.00 0.00 H new ATOM 0 HA PHE A 136 8.534 4.899 7.367 1.00 0.00 H new ATOM 0 HB2 PHE A 136 10.421 6.723 5.783 1.00 0.00 H new ATOM 0 HB3 PHE A 136 9.131 7.216 6.861 1.00 0.00 H new ATOM 0 HD1 PHE A 136 9.336 6.412 9.366 1.00 0.00 H new ATOM 0 HD2 PHE A 136 12.624 6.552 6.606 1.00 0.00 H new ATOM 0 HE1 PHE A 136 10.929 6.438 11.266 1.00 0.00 H new ATOM 0 HE2 PHE A 136 14.218 6.576 8.506 1.00 0.00 H new ATOM 0 HZ PHE A 136 13.370 6.522 10.836 1.00 0.00 H new ATOM 370 N THR A 137 7.383 5.469 5.134 1.00 0.00 N ATOM 371 CA THR A 137 6.630 5.372 3.851 1.00 0.00 C ATOM 372 C THR A 137 6.051 6.740 3.484 1.00 0.00 C ATOM 373 O THR A 137 6.329 7.733 4.128 1.00 0.00 O ATOM 374 CB THR A 137 5.508 4.369 4.126 1.00 0.00 C ATOM 375 OG1 THR A 137 5.163 4.414 5.504 1.00 0.00 O ATOM 376 CG2 THR A 137 5.981 2.962 3.761 1.00 0.00 C ATOM 0 H THR A 137 6.904 5.973 5.880 1.00 0.00 H new ATOM 0 HA THR A 137 7.260 5.057 3.019 1.00 0.00 H new ATOM 0 HB THR A 137 4.635 4.623 3.525 1.00 0.00 H new ATOM 0 HG1 THR A 137 5.152 3.504 5.868 1.00 0.00 H new ATOM 0 HG21 THR A 137 5.182 2.247 3.957 1.00 0.00 H new ATOM 0 HG22 THR A 137 6.246 2.930 2.704 1.00 0.00 H new ATOM 0 HG23 THR A 137 6.853 2.704 4.361 1.00 0.00 H new ATOM 384 N ASP A 138 5.250 6.803 2.458 1.00 0.00 N ATOM 385 CA ASP A 138 4.661 8.112 2.060 1.00 0.00 C ATOM 386 C ASP A 138 4.038 8.797 3.278 1.00 0.00 C ATOM 387 O ASP A 138 4.184 9.987 3.475 1.00 0.00 O ATOM 388 CB ASP A 138 3.593 7.769 1.023 1.00 0.00 C ATOM 389 CG ASP A 138 2.749 6.597 1.525 1.00 0.00 C ATOM 390 OD1 ASP A 138 3.238 5.479 1.484 1.00 0.00 O ATOM 391 OD2 ASP A 138 1.627 6.835 1.941 1.00 0.00 O ATOM 0 H ASP A 138 4.978 6.008 1.879 1.00 0.00 H new ATOM 0 HA ASP A 138 5.406 8.799 1.657 1.00 0.00 H new ATOM 0 HB2 ASP A 138 2.958 8.636 0.840 1.00 0.00 H new ATOM 0 HB3 ASP A 138 4.063 7.512 0.074 1.00 0.00 H new ATOM 396 N LEU A 139 3.353 8.055 4.106 1.00 0.00 N ATOM 397 CA LEU A 139 2.736 8.670 5.315 1.00 0.00 C ATOM 398 C LEU A 139 3.829 9.301 6.181 1.00 0.00 C ATOM 399 O LEU A 139 3.574 10.170 6.990 1.00 0.00 O ATOM 400 CB LEU A 139 2.059 7.513 6.052 1.00 0.00 C ATOM 401 CG LEU A 139 3.120 6.649 6.740 1.00 0.00 C ATOM 402 CD1 LEU A 139 3.073 6.889 8.249 1.00 0.00 C ATOM 403 CD2 LEU A 139 2.839 5.174 6.448 1.00 0.00 C ATOM 0 H LEU A 139 3.195 7.053 3.998 1.00 0.00 H new ATOM 0 HA LEU A 139 2.023 9.457 5.069 1.00 0.00 H new ATOM 0 HB2 LEU A 139 1.357 7.900 6.790 1.00 0.00 H new ATOM 0 HB3 LEU A 139 1.483 6.909 5.350 1.00 0.00 H new ATOM 0 HG LEU A 139 4.108 6.914 6.362 1.00 0.00 H new ATOM 0 HD11 LEU A 139 3.828 6.274 8.739 1.00 0.00 H new ATOM 0 HD12 LEU A 139 3.271 7.941 8.456 1.00 0.00 H new ATOM 0 HD13 LEU A 139 2.086 6.624 8.629 1.00 0.00 H new ATOM 0 HD21 LEU A 139 3.593 4.556 6.936 1.00 0.00 H new ATOM 0 HD22 LEU A 139 1.852 4.910 6.827 1.00 0.00 H new ATOM 0 HD23 LEU A 139 2.872 5.003 5.372 1.00 0.00 H new ATOM 415 N GLU A 140 5.048 8.870 6.007 1.00 0.00 N ATOM 416 CA GLU A 140 6.167 9.442 6.806 1.00 0.00 C ATOM 417 C GLU A 140 7.016 10.361 5.923 1.00 0.00 C ATOM 418 O GLU A 140 7.578 11.335 6.380 1.00 0.00 O ATOM 419 CB GLU A 140 6.983 8.234 7.268 1.00 0.00 C ATOM 420 CG GLU A 140 6.078 7.270 8.037 1.00 0.00 C ATOM 421 CD GLU A 140 6.897 6.537 9.101 1.00 0.00 C ATOM 422 OE1 GLU A 140 7.413 7.201 9.984 1.00 0.00 O ATOM 423 OE2 GLU A 140 6.997 5.325 9.012 1.00 0.00 O ATOM 0 H GLU A 140 5.318 8.144 5.343 1.00 0.00 H new ATOM 0 HA GLU A 140 5.817 10.038 7.649 1.00 0.00 H new ATOM 0 HB2 GLU A 140 7.423 7.729 6.408 1.00 0.00 H new ATOM 0 HB3 GLU A 140 7.807 8.560 7.902 1.00 0.00 H new ATOM 0 HG2 GLU A 140 5.261 7.818 8.506 1.00 0.00 H new ATOM 0 HG3 GLU A 140 5.628 6.552 7.351 1.00 0.00 H new ATOM 430 N ALA A 141 7.107 10.060 4.657 1.00 0.00 N ATOM 431 CA ALA A 141 7.911 10.919 3.745 1.00 0.00 C ATOM 432 C ALA A 141 7.512 12.386 3.921 1.00 0.00 C ATOM 433 O ALA A 141 8.305 13.283 3.723 1.00 0.00 O ATOM 434 CB ALA A 141 7.567 10.435 2.335 1.00 0.00 C ATOM 0 H ALA A 141 6.659 9.257 4.215 1.00 0.00 H new ATOM 0 HA ALA A 141 8.980 10.851 3.947 1.00 0.00 H new ATOM 0 HB1 ALA A 141 8.122 11.022 1.603 1.00 0.00 H new ATOM 0 HB2 ALA A 141 7.835 9.383 2.236 1.00 0.00 H new ATOM 0 HB3 ALA A 141 6.498 10.555 2.160 1.00 0.00 H new ATOM 440 N ASN A 142 6.284 12.635 4.287 1.00 0.00 N ATOM 441 CA ASN A 142 5.833 14.045 4.472 1.00 0.00 C ATOM 442 C ASN A 142 6.274 14.574 5.839 1.00 0.00 C ATOM 443 O ASN A 142 6.455 15.762 6.024 1.00 0.00 O ATOM 444 CB ASN A 142 4.307 13.986 4.386 1.00 0.00 C ATOM 445 CG ASN A 142 3.871 14.105 2.925 1.00 0.00 C ATOM 446 OD1 ASN A 142 4.096 15.118 2.292 1.00 0.00 O ATOM 447 ND2 ASN A 142 3.254 13.106 2.357 1.00 0.00 N ATOM 0 H ASN A 142 5.574 11.925 4.466 1.00 0.00 H new ATOM 0 HA ASN A 142 6.260 14.714 3.725 1.00 0.00 H new ATOM 0 HB2 ASN A 142 3.945 13.049 4.809 1.00 0.00 H new ATOM 0 HB3 ASN A 142 3.868 14.792 4.974 1.00 0.00 H new ATOM 0 HD21 ASN A 142 2.961 13.175 1.383 1.00 0.00 H new ATOM 0 HD22 ASN A 142 3.065 12.256 2.887 1.00 0.00 H new ATOM 454 N GLN A 143 6.447 13.707 6.800 1.00 0.00 N ATOM 455 CA GLN A 143 6.875 14.175 8.151 1.00 0.00 C ATOM 456 C GLN A 143 8.398 14.075 8.290 1.00 0.00 C ATOM 457 O GLN A 143 8.990 14.661 9.174 1.00 0.00 O ATOM 458 CB GLN A 143 6.166 13.244 9.143 1.00 0.00 C ATOM 459 CG GLN A 143 6.916 11.914 9.247 1.00 0.00 C ATOM 460 CD GLN A 143 6.319 11.080 10.383 1.00 0.00 C ATOM 461 OE1 GLN A 143 5.939 11.612 11.407 1.00 0.00 O ATOM 462 NE2 GLN A 143 6.220 9.787 10.245 1.00 0.00 N ATOM 0 H GLN A 143 6.312 12.700 6.710 1.00 0.00 H new ATOM 0 HA GLN A 143 6.616 15.219 8.329 1.00 0.00 H new ATOM 0 HB2 GLN A 143 6.113 13.718 10.123 1.00 0.00 H new ATOM 0 HB3 GLN A 143 5.141 13.067 8.818 1.00 0.00 H new ATOM 0 HG2 GLN A 143 6.845 11.369 8.305 1.00 0.00 H new ATOM 0 HG3 GLN A 143 7.975 12.095 9.432 1.00 0.00 H new ATOM 0 HE21 GLN A 143 6.539 9.340 9.385 1.00 0.00 H new ATOM 0 HE22 GLN A 143 5.824 9.223 10.997 1.00 0.00 H new ATOM 471 N LEU A 144 9.036 13.338 7.421 1.00 0.00 N ATOM 472 CA LEU A 144 10.518 13.205 7.503 1.00 0.00 C ATOM 473 C LEU A 144 11.183 14.024 6.392 1.00 0.00 C ATOM 474 O LEU A 144 12.363 14.309 6.438 1.00 0.00 O ATOM 475 CB LEU A 144 10.797 11.713 7.304 1.00 0.00 C ATOM 476 CG LEU A 144 9.907 10.895 8.239 1.00 0.00 C ATOM 477 CD1 LEU A 144 10.119 9.404 7.970 1.00 0.00 C ATOM 478 CD2 LEU A 144 10.275 11.206 9.691 1.00 0.00 C ATOM 0 H LEU A 144 8.595 12.823 6.659 1.00 0.00 H new ATOM 0 HA LEU A 144 10.912 13.571 8.451 1.00 0.00 H new ATOM 0 HB2 LEU A 144 10.608 11.433 6.268 1.00 0.00 H new ATOM 0 HB3 LEU A 144 11.847 11.499 7.505 1.00 0.00 H new ATOM 0 HG LEU A 144 8.862 11.152 8.064 1.00 0.00 H new ATOM 0 HD11 LEU A 144 9.484 8.820 8.637 1.00 0.00 H new ATOM 0 HD12 LEU A 144 9.860 9.181 6.935 1.00 0.00 H new ATOM 0 HD13 LEU A 144 11.164 9.147 8.146 1.00 0.00 H new ATOM 0 HD21 LEU A 144 9.641 10.624 10.360 1.00 0.00 H new ATOM 0 HD22 LEU A 144 11.320 10.948 9.865 1.00 0.00 H new ATOM 0 HD23 LEU A 144 10.127 12.268 9.884 1.00 0.00 H new ATOM 490 N PHE A 145 10.432 14.400 5.391 1.00 0.00 N ATOM 491 CA PHE A 145 11.018 15.195 4.273 1.00 0.00 C ATOM 492 C PHE A 145 11.288 16.635 4.719 1.00 0.00 C ATOM 493 O PHE A 145 10.413 17.318 5.215 1.00 0.00 O ATOM 494 CB PHE A 145 9.957 15.166 3.174 1.00 0.00 C ATOM 495 CG PHE A 145 10.304 16.171 2.105 1.00 0.00 C ATOM 496 CD1 PHE A 145 10.002 17.525 2.294 1.00 0.00 C ATOM 497 CD2 PHE A 145 10.925 15.750 0.925 1.00 0.00 C ATOM 498 CE1 PHE A 145 10.322 18.456 1.299 1.00 0.00 C ATOM 499 CE2 PHE A 145 11.245 16.681 -0.068 1.00 0.00 C ATOM 500 CZ PHE A 145 10.944 18.035 0.118 1.00 0.00 C ATOM 0 H PHE A 145 9.438 14.191 5.299 1.00 0.00 H new ATOM 0 HA PHE A 145 11.972 14.788 3.937 1.00 0.00 H new ATOM 0 HB2 PHE A 145 9.895 14.167 2.741 1.00 0.00 H new ATOM 0 HB3 PHE A 145 8.977 15.392 3.595 1.00 0.00 H new ATOM 0 HD1 PHE A 145 9.523 17.850 3.206 1.00 0.00 H new ATOM 0 HD2 PHE A 145 11.158 14.705 0.781 1.00 0.00 H new ATOM 0 HE1 PHE A 145 10.089 19.501 1.443 1.00 0.00 H new ATOM 0 HE2 PHE A 145 11.725 16.355 -0.979 1.00 0.00 H new ATOM 0 HZ PHE A 145 11.191 18.754 -0.649 1.00 0.00 H new ATOM 510 N ASP A 146 12.494 17.102 4.542 1.00 0.00 N ATOM 511 CA ASP A 146 12.825 18.498 4.949 1.00 0.00 C ATOM 512 C ASP A 146 13.268 19.308 3.728 1.00 0.00 C ATOM 513 O ASP A 146 13.959 18.804 2.864 1.00 0.00 O ATOM 514 CB ASP A 146 13.973 18.358 5.949 1.00 0.00 C ATOM 515 CG ASP A 146 13.407 18.054 7.338 1.00 0.00 C ATOM 516 OD1 ASP A 146 12.208 18.198 7.511 1.00 0.00 O ATOM 517 OD2 ASP A 146 14.181 17.682 8.204 1.00 0.00 O ATOM 0 H ASP A 146 13.266 16.576 4.132 1.00 0.00 H new ATOM 0 HA ASP A 146 11.971 19.018 5.384 1.00 0.00 H new ATOM 0 HB2 ASP A 146 14.646 17.560 5.636 1.00 0.00 H new ATOM 0 HB3 ASP A 146 14.559 19.277 5.977 1.00 0.00 H new ATOM 522 N PRO A 147 12.850 20.545 3.697 1.00 0.00 N ATOM 523 CA PRO A 147 13.203 21.442 2.569 1.00 0.00 C ATOM 524 C PRO A 147 14.675 21.860 2.652 1.00 0.00 C ATOM 525 O PRO A 147 15.324 22.080 1.648 1.00 0.00 O ATOM 526 CB PRO A 147 12.285 22.645 2.769 1.00 0.00 C ATOM 527 CG PRO A 147 11.964 22.648 4.230 1.00 0.00 C ATOM 528 CD PRO A 147 12.018 21.217 4.700 1.00 0.00 C ATOM 0 HA PRO A 147 13.078 20.971 1.594 1.00 0.00 H new ATOM 0 HB2 PRO A 147 12.777 23.571 2.471 1.00 0.00 H new ATOM 0 HB3 PRO A 147 11.381 22.556 2.166 1.00 0.00 H new ATOM 0 HG2 PRO A 147 12.678 23.261 4.780 1.00 0.00 H new ATOM 0 HG3 PRO A 147 10.976 23.074 4.406 1.00 0.00 H new ATOM 0 HD2 PRO A 147 12.454 21.140 5.696 1.00 0.00 H new ATOM 0 HD3 PRO A 147 11.022 20.776 4.753 1.00 0.00 H new ATOM 536 N MET A 148 15.204 21.975 3.839 1.00 0.00 N ATOM 537 CA MET A 148 16.632 22.383 3.981 1.00 0.00 C ATOM 538 C MET A 148 17.538 21.427 3.199 1.00 0.00 C ATOM 539 O MET A 148 18.566 21.819 2.681 1.00 0.00 O ATOM 540 CB MET A 148 16.923 22.295 5.479 1.00 0.00 C ATOM 541 CG MET A 148 16.944 20.828 5.912 1.00 0.00 C ATOM 542 SD MET A 148 16.938 20.731 7.719 1.00 0.00 S ATOM 543 CE MET A 148 18.633 21.307 7.985 1.00 0.00 C ATOM 0 H MET A 148 14.711 21.805 4.716 1.00 0.00 H new ATOM 0 HA MET A 148 16.816 23.383 3.589 1.00 0.00 H new ATOM 0 HB2 MET A 148 17.881 22.764 5.702 1.00 0.00 H new ATOM 0 HB3 MET A 148 16.163 22.839 6.040 1.00 0.00 H new ATOM 0 HG2 MET A 148 16.077 20.306 5.506 1.00 0.00 H new ATOM 0 HG3 MET A 148 17.830 20.333 5.514 1.00 0.00 H new ATOM 0 HE1 MET A 148 18.952 21.046 8.994 1.00 0.00 H new ATOM 0 HE2 MET A 148 19.296 20.833 7.261 1.00 0.00 H new ATOM 0 HE3 MET A 148 18.673 22.389 7.860 1.00 0.00 H new ATOM 553 N THR A 149 17.168 20.179 3.106 1.00 0.00 N ATOM 554 CA THR A 149 18.014 19.206 2.355 1.00 0.00 C ATOM 555 C THR A 149 17.268 18.693 1.121 1.00 0.00 C ATOM 556 O THR A 149 17.868 18.288 0.146 1.00 0.00 O ATOM 557 CB THR A 149 18.277 18.062 3.337 1.00 0.00 C ATOM 558 OG1 THR A 149 18.959 17.013 2.664 1.00 0.00 O ATOM 559 CG2 THR A 149 16.950 17.538 3.887 1.00 0.00 C ATOM 0 H THR A 149 16.319 19.791 3.516 1.00 0.00 H new ATOM 0 HA THR A 149 18.940 19.658 2.000 1.00 0.00 H new ATOM 0 HB THR A 149 18.888 18.426 4.163 1.00 0.00 H new ATOM 0 HG1 THR A 149 18.308 16.441 2.206 1.00 0.00 H new ATOM 0 HG21 THR A 149 17.142 16.724 4.586 1.00 0.00 H new ATOM 0 HG22 THR A 149 16.427 18.343 4.403 1.00 0.00 H new ATOM 0 HG23 THR A 149 16.334 17.173 3.065 1.00 0.00 H new ATOM 567 N GLY A 150 15.964 18.706 1.155 1.00 0.00 N ATOM 568 CA GLY A 150 15.183 18.220 -0.019 1.00 0.00 C ATOM 569 C GLY A 150 15.046 16.697 0.050 1.00 0.00 C ATOM 570 O GLY A 150 14.619 16.061 -0.893 1.00 0.00 O ATOM 0 H GLY A 150 15.405 19.032 1.944 1.00 0.00 H new ATOM 0 HA2 GLY A 150 14.197 18.684 -0.030 1.00 0.00 H new ATOM 0 HA3 GLY A 150 15.681 18.509 -0.945 1.00 0.00 H new ATOM 574 N THR A 151 15.404 16.107 1.158 1.00 0.00 N ATOM 575 CA THR A 151 15.294 14.625 1.282 1.00 0.00 C ATOM 576 C THR A 151 14.495 14.260 2.537 1.00 0.00 C ATOM 577 O THR A 151 13.838 15.093 3.129 1.00 0.00 O ATOM 578 CB THR A 151 16.735 14.123 1.397 1.00 0.00 C ATOM 579 OG1 THR A 151 17.635 15.188 1.119 1.00 0.00 O ATOM 580 CG2 THR A 151 16.963 12.987 0.396 1.00 0.00 C ATOM 0 H THR A 151 15.767 16.586 1.982 1.00 0.00 H new ATOM 0 HA THR A 151 14.777 14.178 0.433 1.00 0.00 H new ATOM 0 HB THR A 151 16.910 13.756 2.408 1.00 0.00 H new ATOM 0 HG1 THR A 151 18.557 14.865 1.195 1.00 0.00 H new ATOM 0 HG21 THR A 151 17.990 12.630 0.478 1.00 0.00 H new ATOM 0 HG22 THR A 151 16.276 12.169 0.611 1.00 0.00 H new ATOM 0 HG23 THR A 151 16.786 13.352 -0.616 1.00 0.00 H new ATOM 588 N PHE A 152 14.549 13.023 2.949 1.00 0.00 N ATOM 589 CA PHE A 152 13.794 12.609 4.166 1.00 0.00 C ATOM 590 C PHE A 152 14.763 12.349 5.320 1.00 0.00 C ATOM 591 O PHE A 152 15.802 11.744 5.145 1.00 0.00 O ATOM 592 CB PHE A 152 13.075 11.320 3.765 1.00 0.00 C ATOM 593 CG PHE A 152 12.260 11.566 2.518 1.00 0.00 C ATOM 594 CD1 PHE A 152 12.838 11.379 1.257 1.00 0.00 C ATOM 595 CD2 PHE A 152 10.928 11.982 2.624 1.00 0.00 C ATOM 596 CE1 PHE A 152 12.083 11.609 0.100 1.00 0.00 C ATOM 597 CE2 PHE A 152 10.173 12.212 1.467 1.00 0.00 C ATOM 598 CZ PHE A 152 10.750 12.024 0.205 1.00 0.00 C ATOM 0 H PHE A 152 15.083 12.281 2.496 1.00 0.00 H new ATOM 0 HA PHE A 152 13.096 13.375 4.503 1.00 0.00 H new ATOM 0 HB2 PHE A 152 13.801 10.526 3.587 1.00 0.00 H new ATOM 0 HB3 PHE A 152 12.428 10.985 4.575 1.00 0.00 H new ATOM 0 HD1 PHE A 152 13.866 11.057 1.176 1.00 0.00 H new ATOM 0 HD2 PHE A 152 10.483 12.126 3.597 1.00 0.00 H new ATOM 0 HE1 PHE A 152 12.529 11.466 -0.873 1.00 0.00 H new ATOM 0 HE2 PHE A 152 9.145 12.534 1.548 1.00 0.00 H new ATOM 0 HZ PHE A 152 10.167 12.199 -0.687 1.00 0.00 H new ATOM 608 N ARG A 153 14.436 12.803 6.498 1.00 0.00 N ATOM 609 CA ARG A 153 15.346 12.579 7.656 1.00 0.00 C ATOM 610 C ARG A 153 14.680 11.671 8.691 1.00 0.00 C ATOM 611 O ARG A 153 13.512 11.806 8.994 1.00 0.00 O ATOM 612 CB ARG A 153 15.598 13.966 8.246 1.00 0.00 C ATOM 613 CG ARG A 153 16.716 14.655 7.462 1.00 0.00 C ATOM 614 CD ARG A 153 17.534 15.545 8.400 1.00 0.00 C ATOM 615 NE ARG A 153 18.911 15.532 7.832 1.00 0.00 N ATOM 616 CZ ARG A 153 19.877 16.156 8.448 1.00 0.00 C ATOM 617 NH1 ARG A 153 20.405 15.640 9.524 1.00 0.00 N ATOM 618 NH2 ARG A 153 20.316 17.295 7.987 1.00 0.00 N ATOM 0 H ARG A 153 13.581 13.318 6.709 1.00 0.00 H new ATOM 0 HA ARG A 153 16.273 12.091 7.356 1.00 0.00 H new ATOM 0 HB2 ARG A 153 14.687 14.563 8.203 1.00 0.00 H new ATOM 0 HB3 ARG A 153 15.874 13.882 9.297 1.00 0.00 H new ATOM 0 HG2 ARG A 153 17.362 13.909 6.999 1.00 0.00 H new ATOM 0 HG3 ARG A 153 16.292 15.254 6.656 1.00 0.00 H new ATOM 0 HD2 ARG A 153 17.131 16.557 8.437 1.00 0.00 H new ATOM 0 HD3 ARG A 153 17.523 15.160 9.420 1.00 0.00 H new ATOM 0 HE ARG A 153 19.099 15.035 6.961 1.00 0.00 H new ATOM 0 HH11 ARG A 153 20.062 14.749 9.883 1.00 0.00 H new ATOM 0 HH12 ARG A 153 21.160 16.128 10.006 1.00 0.00 H new ATOM 0 HH21 ARG A 153 19.904 17.697 7.145 1.00 0.00 H new ATOM 0 HH22 ARG A 153 21.071 17.783 8.468 1.00 0.00 H new ATOM 632 N CYS A 154 15.423 10.749 9.235 1.00 0.00 N ATOM 633 CA CYS A 154 14.852 9.828 10.257 1.00 0.00 C ATOM 634 C CYS A 154 14.005 10.615 11.259 1.00 0.00 C ATOM 635 O CYS A 154 14.004 11.830 11.265 1.00 0.00 O ATOM 636 CB CYS A 154 16.073 9.226 10.942 1.00 0.00 C ATOM 637 SG CYS A 154 15.592 7.770 11.891 1.00 0.00 S ATOM 0 H CYS A 154 16.407 10.593 9.015 1.00 0.00 H new ATOM 0 HA CYS A 154 14.201 9.067 9.826 1.00 0.00 H new ATOM 0 HB2 CYS A 154 16.821 8.954 10.197 1.00 0.00 H new ATOM 0 HB3 CYS A 154 16.532 9.964 11.600 1.00 0.00 H new ATOM 0 HG CYS A 154 16.299 6.749 11.507 1.00 0.00 H new ATOM 642 N THR A 155 13.282 9.938 12.109 1.00 0.00 N ATOM 643 CA THR A 155 12.437 10.662 13.102 1.00 0.00 C ATOM 644 C THR A 155 12.948 10.421 14.526 1.00 0.00 C ATOM 645 O THR A 155 12.618 11.150 15.440 1.00 0.00 O ATOM 646 CB THR A 155 11.027 10.088 12.929 1.00 0.00 C ATOM 647 OG1 THR A 155 10.990 9.248 11.783 1.00 0.00 O ATOM 648 CG2 THR A 155 10.028 11.234 12.757 1.00 0.00 C ATOM 0 H THR A 155 13.239 8.920 12.159 1.00 0.00 H new ATOM 0 HA THR A 155 12.458 11.740 12.942 1.00 0.00 H new ATOM 0 HB THR A 155 10.763 9.505 13.811 1.00 0.00 H new ATOM 0 HG1 THR A 155 11.190 8.326 12.047 1.00 0.00 H new ATOM 0 HG21 THR A 155 9.025 10.827 12.634 1.00 0.00 H new ATOM 0 HG22 THR A 155 10.054 11.875 13.639 1.00 0.00 H new ATOM 0 HG23 THR A 155 10.293 11.818 11.876 1.00 0.00 H new ATOM 656 N PHE A 156 13.748 9.409 14.729 1.00 0.00 N ATOM 657 CA PHE A 156 14.267 9.146 16.103 1.00 0.00 C ATOM 658 C PHE A 156 15.786 9.323 16.137 1.00 0.00 C ATOM 659 O PHE A 156 16.337 9.839 17.089 1.00 0.00 O ATOM 660 CB PHE A 156 13.880 7.701 16.464 1.00 0.00 C ATOM 661 CG PHE A 156 13.374 6.949 15.253 1.00 0.00 C ATOM 662 CD1 PHE A 156 14.277 6.481 14.296 1.00 0.00 C ATOM 663 CD2 PHE A 156 12.002 6.725 15.093 1.00 0.00 C ATOM 664 CE1 PHE A 156 13.809 5.788 13.176 1.00 0.00 C ATOM 665 CE2 PHE A 156 11.533 6.032 13.971 1.00 0.00 C ATOM 666 CZ PHE A 156 12.437 5.562 13.012 1.00 0.00 C ATOM 0 H PHE A 156 14.063 8.758 14.010 1.00 0.00 H new ATOM 0 HA PHE A 156 13.841 9.846 16.822 1.00 0.00 H new ATOM 0 HB2 PHE A 156 14.744 7.184 16.881 1.00 0.00 H new ATOM 0 HB3 PHE A 156 13.111 7.710 17.237 1.00 0.00 H new ATOM 0 HD1 PHE A 156 15.336 6.654 14.421 1.00 0.00 H new ATOM 0 HD2 PHE A 156 11.305 7.087 15.835 1.00 0.00 H new ATOM 0 HE1 PHE A 156 14.507 5.426 12.436 1.00 0.00 H new ATOM 0 HE2 PHE A 156 10.474 5.860 13.846 1.00 0.00 H new ATOM 0 HZ PHE A 156 12.077 5.026 12.146 1.00 0.00 H new ATOM 676 N CYS A 157 16.465 8.914 15.104 1.00 0.00 N ATOM 677 CA CYS A 157 17.946 9.076 15.081 1.00 0.00 C ATOM 678 C CYS A 157 18.334 10.066 13.967 1.00 0.00 C ATOM 679 O CYS A 157 19.462 10.123 13.522 1.00 0.00 O ATOM 680 CB CYS A 157 18.495 7.648 14.878 1.00 0.00 C ATOM 681 SG CYS A 157 19.091 7.375 13.190 1.00 0.00 S ATOM 0 H CYS A 157 16.061 8.476 14.276 1.00 0.00 H new ATOM 0 HA CYS A 157 18.366 9.501 15.993 1.00 0.00 H new ATOM 0 HB2 CYS A 157 19.308 7.470 15.581 1.00 0.00 H new ATOM 0 HB3 CYS A 157 17.713 6.924 15.106 1.00 0.00 H new ATOM 0 HG CYS A 157 18.091 7.437 12.361 1.00 0.00 H new ATOM 686 N HIS A 158 17.380 10.862 13.551 1.00 0.00 N ATOM 687 CA HIS A 158 17.606 11.900 12.495 1.00 0.00 C ATOM 688 C HIS A 158 18.711 11.527 11.500 1.00 0.00 C ATOM 689 O HIS A 158 19.407 12.386 10.997 1.00 0.00 O ATOM 690 CB HIS A 158 17.995 13.160 13.264 1.00 0.00 C ATOM 691 CG HIS A 158 16.754 13.808 13.813 1.00 0.00 C ATOM 692 ND1 HIS A 158 16.057 14.780 13.112 1.00 0.00 N ATOM 693 CD2 HIS A 158 16.069 13.630 14.989 1.00 0.00 C ATOM 694 CE1 HIS A 158 15.004 15.146 13.866 1.00 0.00 C ATOM 695 NE2 HIS A 158 14.964 14.475 15.021 1.00 0.00 N ATOM 0 H HIS A 158 16.426 10.835 13.910 1.00 0.00 H new ATOM 0 HA HIS A 158 16.710 12.021 11.887 1.00 0.00 H new ATOM 0 HB2 HIS A 158 18.678 12.909 14.076 1.00 0.00 H new ATOM 0 HB3 HIS A 158 18.521 13.853 12.608 1.00 0.00 H new ATOM 0 HD2 HIS A 158 16.346 12.939 15.771 1.00 0.00 H new ATOM 0 HE1 HIS A 158 14.279 15.891 13.573 1.00 0.00 H new ATOM 0 HE2 HIS A 158 14.272 14.563 15.766 1.00 0.00 H new ATOM 703 N THR A 159 18.870 10.276 11.181 1.00 0.00 N ATOM 704 CA THR A 159 19.917 9.909 10.188 1.00 0.00 C ATOM 705 C THR A 159 19.316 9.965 8.780 1.00 0.00 C ATOM 706 O THR A 159 18.260 9.422 8.528 1.00 0.00 O ATOM 707 CB THR A 159 20.327 8.480 10.545 1.00 0.00 C ATOM 708 OG1 THR A 159 21.174 8.502 11.686 1.00 0.00 O ATOM 709 CG2 THR A 159 21.071 7.844 9.365 1.00 0.00 C ATOM 0 H THR A 159 18.328 9.499 11.559 1.00 0.00 H new ATOM 0 HA THR A 159 20.773 10.583 10.207 1.00 0.00 H new ATOM 0 HB THR A 159 19.435 7.893 10.765 1.00 0.00 H new ATOM 0 HG1 THR A 159 20.709 8.094 12.446 1.00 0.00 H new ATOM 0 HG21 THR A 159 21.361 6.826 9.624 1.00 0.00 H new ATOM 0 HG22 THR A 159 20.419 7.824 8.492 1.00 0.00 H new ATOM 0 HG23 THR A 159 21.963 8.429 9.139 1.00 0.00 H new ATOM 717 N GLU A 160 19.973 10.619 7.860 1.00 0.00 N ATOM 718 CA GLU A 160 19.419 10.700 6.476 1.00 0.00 C ATOM 719 C GLU A 160 18.939 9.319 6.023 1.00 0.00 C ATOM 720 O GLU A 160 19.709 8.383 5.928 1.00 0.00 O ATOM 721 CB GLU A 160 20.581 11.177 5.604 1.00 0.00 C ATOM 722 CG GLU A 160 20.067 11.477 4.193 1.00 0.00 C ATOM 723 CD GLU A 160 21.036 12.426 3.486 1.00 0.00 C ATOM 724 OE1 GLU A 160 20.918 13.623 3.690 1.00 0.00 O ATOM 725 OE2 GLU A 160 21.881 11.940 2.751 1.00 0.00 O ATOM 0 H GLU A 160 20.862 11.097 8.004 1.00 0.00 H new ATOM 0 HA GLU A 160 18.565 11.374 6.412 1.00 0.00 H new ATOM 0 HB2 GLU A 160 21.032 12.070 6.036 1.00 0.00 H new ATOM 0 HB3 GLU A 160 21.358 10.414 5.565 1.00 0.00 H new ATOM 0 HG2 GLU A 160 19.970 10.551 3.626 1.00 0.00 H new ATOM 0 HG3 GLU A 160 19.075 11.925 4.244 1.00 0.00 H new ATOM 732 N VAL A 161 17.671 9.182 5.748 1.00 0.00 N ATOM 733 CA VAL A 161 17.142 7.858 5.304 1.00 0.00 C ATOM 734 C VAL A 161 17.273 7.712 3.786 1.00 0.00 C ATOM 735 O VAL A 161 17.435 8.680 3.070 1.00 0.00 O ATOM 736 CB VAL A 161 15.669 7.863 5.712 1.00 0.00 C ATOM 737 CG1 VAL A 161 15.548 8.224 7.193 1.00 0.00 C ATOM 738 CG2 VAL A 161 14.917 8.899 4.872 1.00 0.00 C ATOM 0 H VAL A 161 16.978 9.928 5.811 1.00 0.00 H new ATOM 0 HA VAL A 161 17.689 7.028 5.751 1.00 0.00 H new ATOM 0 HB VAL A 161 15.241 6.874 5.546 1.00 0.00 H new ATOM 0 HG11 VAL A 161 14.497 8.227 7.482 1.00 0.00 H new ATOM 0 HG12 VAL A 161 16.087 7.490 7.792 1.00 0.00 H new ATOM 0 HG13 VAL A 161 15.974 9.213 7.362 1.00 0.00 H new ATOM 0 HG21 VAL A 161 13.866 8.906 5.159 1.00 0.00 H new ATOM 0 HG22 VAL A 161 15.347 9.886 5.042 1.00 0.00 H new ATOM 0 HG23 VAL A 161 15.003 8.643 3.816 1.00 0.00 H new ATOM 748 N GLU A 162 17.198 6.507 3.293 1.00 0.00 N ATOM 749 CA GLU A 162 17.309 6.292 1.821 1.00 0.00 C ATOM 750 C GLU A 162 16.107 5.488 1.321 1.00 0.00 C ATOM 751 O GLU A 162 15.498 4.740 2.060 1.00 0.00 O ATOM 752 CB GLU A 162 18.604 5.502 1.630 1.00 0.00 C ATOM 753 CG GLU A 162 19.796 6.359 2.063 1.00 0.00 C ATOM 754 CD GLU A 162 20.114 7.382 0.972 1.00 0.00 C ATOM 755 OE1 GLU A 162 20.676 6.988 -0.037 1.00 0.00 O ATOM 756 OE2 GLU A 162 19.793 8.543 1.163 1.00 0.00 O ATOM 0 H GLU A 162 17.064 5.660 3.846 1.00 0.00 H new ATOM 0 HA GLU A 162 17.323 7.228 1.263 1.00 0.00 H new ATOM 0 HB2 GLU A 162 18.571 4.583 2.216 1.00 0.00 H new ATOM 0 HB3 GLU A 162 18.713 5.210 0.586 1.00 0.00 H new ATOM 0 HG2 GLU A 162 19.569 6.869 2.999 1.00 0.00 H new ATOM 0 HG3 GLU A 162 20.664 5.726 2.247 1.00 0.00 H new ATOM 763 N GLU A 163 15.755 5.635 0.074 1.00 0.00 N ATOM 764 CA GLU A 163 14.588 4.878 -0.465 1.00 0.00 C ATOM 765 C GLU A 163 14.825 3.371 -0.331 1.00 0.00 C ATOM 766 O GLU A 163 15.904 2.877 -0.588 1.00 0.00 O ATOM 767 CB GLU A 163 14.500 5.280 -1.938 1.00 0.00 C ATOM 768 CG GLU A 163 13.414 6.344 -2.111 1.00 0.00 C ATOM 769 CD GLU A 163 14.046 7.642 -2.616 1.00 0.00 C ATOM 770 OE1 GLU A 163 15.253 7.775 -2.501 1.00 0.00 O ATOM 771 OE2 GLU A 163 13.311 8.480 -3.112 1.00 0.00 O ATOM 0 H GLU A 163 16.224 6.246 -0.595 1.00 0.00 H new ATOM 0 HA GLU A 163 13.667 5.102 0.074 1.00 0.00 H new ATOM 0 HB2 GLU A 163 15.461 5.666 -2.279 1.00 0.00 H new ATOM 0 HB3 GLU A 163 14.271 4.408 -2.551 1.00 0.00 H new ATOM 0 HG2 GLU A 163 12.659 5.997 -2.816 1.00 0.00 H new ATOM 0 HG3 GLU A 163 12.907 6.519 -1.162 1.00 0.00 H new ATOM 778 N ASP A 164 13.821 2.638 0.070 1.00 0.00 N ATOM 779 CA ASP A 164 13.986 1.164 0.221 1.00 0.00 C ATOM 780 C ASP A 164 13.628 0.455 -1.088 1.00 0.00 C ATOM 781 O ASP A 164 12.471 0.231 -1.387 1.00 0.00 O ATOM 782 CB ASP A 164 13.009 0.768 1.330 1.00 0.00 C ATOM 783 CG ASP A 164 13.365 -0.625 1.854 1.00 0.00 C ATOM 784 OD1 ASP A 164 13.093 -1.586 1.153 1.00 0.00 O ATOM 785 OD2 ASP A 164 13.902 -0.707 2.946 1.00 0.00 O ATOM 0 H ASP A 164 12.894 2.997 0.299 1.00 0.00 H new ATOM 0 HA ASP A 164 15.012 0.886 0.463 1.00 0.00 H new ATOM 0 HB2 ASP A 164 13.050 1.494 2.142 1.00 0.00 H new ATOM 0 HB3 ASP A 164 11.988 0.774 0.948 1.00 0.00 H new