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 150:sc= -1.55! USER MOD Set 1.2: A 132 CYS SG : rot -58:sc= -0.29 USER MOD Set 1.3: A 134 SER OG : rot 115:sc= 1.07 USER MOD Set 1.4: A 154 CYS SG : rot -174:sc= -6.54! USER MOD Set 1.5: A 157 CYS SG : rot 41:sc= -1.29! USER MOD Set 1.6: A 159 THR OG1 : rot 139:sc= 0.292 USER MOD Set 2.1: A 149 THR OG1 : rot 130:sc= 1.25 USER MOD Set 2.2: A 151 THR OG1 : rot 103:sc= -0.15 USER MOD Set 3.1: A 128 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 3.2: A 135 THR OG1 : rot 180:sc= -1.01 USER MOD Single : A 126 SER OG : rot 180:sc= 0 USER MOD Single : A 133 SER OG : rot 61:sc= -0.496! USER MOD Single : A 137 THR OG1 : rot 180:sc= 0 USER MOD Single : A 142 ASN : amide:sc= -3.97! C(o=-4!,f=-14!) USER MOD Single : A 143 GLN : amide:sc= -3.85! C(o=-3.9!,f=-3.2!) USER MOD Single : A 148 MET CE :methyl 147:sc= -0.389 (180deg=-1.88!) USER MOD Single : A 155 THR OG1 : rot 169:sc= -1.56 USER MOD Single : A 158 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 211 N SER A 126 8.656 4.290 0.297 1.00 0.00 N ATOM 212 CA SER A 126 9.343 3.539 1.387 1.00 0.00 C ATOM 213 C SER A 126 10.796 4.004 1.520 1.00 0.00 C ATOM 214 O SER A 126 11.524 4.085 0.551 1.00 0.00 O ATOM 215 CB SER A 126 9.287 2.076 0.950 1.00 0.00 C ATOM 216 OG SER A 126 9.924 1.268 1.932 1.00 0.00 O ATOM 0 HA SER A 126 8.872 3.696 2.357 1.00 0.00 H new ATOM 0 HB2 SER A 126 8.251 1.762 0.821 1.00 0.00 H new ATOM 0 HB3 SER A 126 9.780 1.953 -0.014 1.00 0.00 H new ATOM 0 HG SER A 126 9.888 0.328 1.656 1.00 0.00 H new ATOM 222 N PHE A 127 11.224 4.306 2.716 1.00 0.00 N ATOM 223 CA PHE A 127 12.631 4.763 2.914 1.00 0.00 C ATOM 224 C PHE A 127 13.271 4.003 4.078 1.00 0.00 C ATOM 225 O PHE A 127 12.595 3.540 4.975 1.00 0.00 O ATOM 226 CB PHE A 127 12.528 6.253 3.244 1.00 0.00 C ATOM 227 CG PHE A 127 11.561 6.915 2.293 1.00 0.00 C ATOM 228 CD1 PHE A 127 10.184 6.832 2.528 1.00 0.00 C ATOM 229 CD2 PHE A 127 12.041 7.610 1.177 1.00 0.00 C ATOM 230 CE1 PHE A 127 9.286 7.445 1.647 1.00 0.00 C ATOM 231 CE2 PHE A 127 11.143 8.223 0.296 1.00 0.00 C ATOM 232 CZ PHE A 127 9.765 8.141 0.530 1.00 0.00 C ATOM 0 H PHE A 127 10.661 4.256 3.565 1.00 0.00 H new ATOM 0 HA PHE A 127 13.248 4.584 2.034 1.00 0.00 H new ATOM 0 HB2 PHE A 127 12.191 6.386 4.272 1.00 0.00 H new ATOM 0 HB3 PHE A 127 13.509 6.722 3.167 1.00 0.00 H new ATOM 0 HD1 PHE A 127 9.814 6.295 3.389 1.00 0.00 H new ATOM 0 HD2 PHE A 127 13.104 7.673 0.996 1.00 0.00 H new ATOM 0 HE1 PHE A 127 8.223 7.381 1.828 1.00 0.00 H new ATOM 0 HE2 PHE A 127 11.513 8.760 -0.565 1.00 0.00 H new ATOM 0 HZ PHE A 127 9.072 8.614 -0.150 1.00 0.00 H new ATOM 242 N LYS A 128 14.569 3.871 4.072 1.00 0.00 N ATOM 243 CA LYS A 128 15.246 3.144 5.179 1.00 0.00 C ATOM 244 C LYS A 128 16.396 3.984 5.743 1.00 0.00 C ATOM 245 O LYS A 128 17.044 4.728 5.033 1.00 0.00 O ATOM 246 CB LYS A 128 15.771 1.851 4.546 1.00 0.00 C ATOM 247 CG LYS A 128 16.906 1.277 5.401 1.00 0.00 C ATOM 248 CD LYS A 128 16.742 -0.239 5.526 1.00 0.00 C ATOM 249 CE LYS A 128 16.036 -0.569 6.842 1.00 0.00 C ATOM 250 NZ LYS A 128 15.000 -1.574 6.478 1.00 0.00 N ATOM 0 H LYS A 128 15.188 4.235 3.348 1.00 0.00 H new ATOM 0 HA LYS A 128 14.573 2.940 6.012 1.00 0.00 H new ATOM 0 HB2 LYS A 128 14.964 1.123 4.461 1.00 0.00 H new ATOM 0 HB3 LYS A 128 16.129 2.049 3.536 1.00 0.00 H new ATOM 0 HG2 LYS A 128 17.869 1.512 4.949 1.00 0.00 H new ATOM 0 HG3 LYS A 128 16.897 1.736 6.390 1.00 0.00 H new ATOM 0 HD2 LYS A 128 16.165 -0.624 4.685 1.00 0.00 H new ATOM 0 HD3 LYS A 128 17.717 -0.725 5.492 1.00 0.00 H new ATOM 0 HE2 LYS A 128 16.735 -0.970 7.576 1.00 0.00 H new ATOM 0 HE3 LYS A 128 15.586 0.320 7.283 1.00 0.00 H new ATOM 0 HZ1 LYS A 128 14.471 -1.852 7.329 1.00 0.00 H new ATOM 0 HZ2 LYS A 128 14.345 -1.162 5.783 1.00 0.00 H new ATOM 0 HZ3 LYS A 128 15.459 -2.412 6.067 1.00 0.00 H new ATOM 264 N CYS A 129 16.654 3.862 7.015 1.00 0.00 N ATOM 265 CA CYS A 129 17.758 4.641 7.637 1.00 0.00 C ATOM 266 C CYS A 129 19.011 3.765 7.752 1.00 0.00 C ATOM 267 O CYS A 129 18.970 2.698 8.330 1.00 0.00 O ATOM 268 CB CYS A 129 17.230 5.020 9.020 1.00 0.00 C ATOM 269 SG CYS A 129 18.404 6.110 9.844 1.00 0.00 S ATOM 0 H CYS A 129 16.144 3.252 7.654 1.00 0.00 H new ATOM 0 HA CYS A 129 18.038 5.519 7.055 1.00 0.00 H new ATOM 0 HB2 CYS A 129 16.263 5.515 8.927 1.00 0.00 H new ATOM 0 HB3 CYS A 129 17.072 4.122 9.618 1.00 0.00 H new ATOM 0 HG CYS A 129 17.764 6.914 10.641 1.00 0.00 H new ATOM 274 N PRO A 130 20.086 4.243 7.182 1.00 0.00 N ATOM 275 CA PRO A 130 21.363 3.487 7.205 1.00 0.00 C ATOM 276 C PRO A 130 22.023 3.544 8.590 1.00 0.00 C ATOM 277 O PRO A 130 22.977 2.841 8.856 1.00 0.00 O ATOM 278 CB PRO A 130 22.222 4.208 6.172 1.00 0.00 C ATOM 279 CG PRO A 130 21.671 5.598 6.104 1.00 0.00 C ATOM 280 CD PRO A 130 20.210 5.518 6.466 1.00 0.00 C ATOM 0 HA PRO A 130 21.225 2.428 6.988 1.00 0.00 H new ATOM 0 HB2 PRO A 130 23.271 4.214 6.468 1.00 0.00 H new ATOM 0 HB3 PRO A 130 22.167 3.715 5.201 1.00 0.00 H new ATOM 0 HG2 PRO A 130 22.202 6.256 6.792 1.00 0.00 H new ATOM 0 HG3 PRO A 130 21.797 6.013 5.104 1.00 0.00 H new ATOM 0 HD2 PRO A 130 19.908 6.358 7.092 1.00 0.00 H new ATOM 0 HD3 PRO A 130 19.578 5.539 5.578 1.00 0.00 H new ATOM 288 N VAL A 131 21.535 4.375 9.470 1.00 0.00 N ATOM 289 CA VAL A 131 22.157 4.464 10.823 1.00 0.00 C ATOM 290 C VAL A 131 21.424 3.565 11.819 1.00 0.00 C ATOM 291 O VAL A 131 21.929 2.536 12.224 1.00 0.00 O ATOM 292 CB VAL A 131 22.033 5.931 11.225 1.00 0.00 C ATOM 293 CG1 VAL A 131 22.300 6.078 12.725 1.00 0.00 C ATOM 294 CG2 VAL A 131 23.060 6.756 10.446 1.00 0.00 C ATOM 0 H VAL A 131 20.738 4.992 9.313 1.00 0.00 H new ATOM 0 HA VAL A 131 23.195 4.131 10.815 1.00 0.00 H new ATOM 0 HB VAL A 131 21.027 6.285 11.000 1.00 0.00 H new ATOM 0 HG11 VAL A 131 22.211 7.126 13.009 1.00 0.00 H new ATOM 0 HG12 VAL A 131 21.574 5.488 13.283 1.00 0.00 H new ATOM 0 HG13 VAL A 131 23.306 5.725 12.952 1.00 0.00 H new ATOM 0 HG21 VAL A 131 22.975 7.805 10.730 1.00 0.00 H new ATOM 0 HG22 VAL A 131 24.064 6.398 10.675 1.00 0.00 H new ATOM 0 HG23 VAL A 131 22.874 6.653 9.377 1.00 0.00 H new ATOM 304 N CYS A 132 20.241 3.937 12.222 1.00 0.00 N ATOM 305 CA CYS A 132 19.499 3.085 13.196 1.00 0.00 C ATOM 306 C CYS A 132 18.710 1.998 12.452 1.00 0.00 C ATOM 307 O CYS A 132 17.847 1.345 13.004 1.00 0.00 O ATOM 308 CB CYS A 132 18.586 4.041 13.972 1.00 0.00 C ATOM 309 SG CYS A 132 17.156 4.496 12.969 1.00 0.00 S ATOM 0 H CYS A 132 19.759 4.785 11.924 1.00 0.00 H new ATOM 0 HA CYS A 132 20.163 2.557 13.881 1.00 0.00 H new ATOM 0 HB2 CYS A 132 18.254 3.568 14.896 1.00 0.00 H new ATOM 0 HB3 CYS A 132 19.141 4.936 14.253 1.00 0.00 H new ATOM 0 HG CYS A 132 17.560 5.044 11.862 1.00 0.00 H new ATOM 314 N SER A 133 19.038 1.785 11.202 1.00 0.00 N ATOM 315 CA SER A 133 18.365 0.725 10.385 1.00 0.00 C ATOM 316 C SER A 133 16.840 0.791 10.489 1.00 0.00 C ATOM 317 O SER A 133 16.160 -0.205 10.339 1.00 0.00 O ATOM 318 CB SER A 133 18.883 -0.609 10.932 1.00 0.00 C ATOM 319 OG SER A 133 19.172 -0.484 12.318 1.00 0.00 O ATOM 0 H SER A 133 19.757 2.310 10.703 1.00 0.00 H new ATOM 0 HA SER A 133 18.593 0.856 9.327 1.00 0.00 H new ATOM 0 HB2 SER A 133 18.139 -1.390 10.776 1.00 0.00 H new ATOM 0 HB3 SER A 133 19.780 -0.911 10.390 1.00 0.00 H new ATOM 0 HG SER A 133 18.355 -0.244 12.802 1.00 0.00 H new ATOM 325 N SER A 134 16.288 1.948 10.714 1.00 0.00 N ATOM 326 CA SER A 134 14.805 2.048 10.786 1.00 0.00 C ATOM 327 C SER A 134 14.243 2.194 9.369 1.00 0.00 C ATOM 328 O SER A 134 14.954 2.033 8.396 1.00 0.00 O ATOM 329 CB SER A 134 14.525 3.298 11.613 1.00 0.00 C ATOM 330 OG SER A 134 14.731 3.008 12.989 1.00 0.00 O ATOM 0 H SER A 134 16.794 2.823 10.850 1.00 0.00 H new ATOM 0 HA SER A 134 14.342 1.168 11.233 1.00 0.00 H new ATOM 0 HB2 SER A 134 15.181 4.110 11.299 1.00 0.00 H new ATOM 0 HB3 SER A 134 13.501 3.634 11.450 1.00 0.00 H new ATOM 0 HG SER A 134 15.483 3.539 13.326 1.00 0.00 H new ATOM 336 N THR A 135 12.981 2.494 9.232 1.00 0.00 N ATOM 337 CA THR A 135 12.407 2.643 7.861 1.00 0.00 C ATOM 338 C THR A 135 11.171 3.546 7.886 1.00 0.00 C ATOM 339 O THR A 135 10.616 3.832 8.928 1.00 0.00 O ATOM 340 CB THR A 135 12.028 1.225 7.434 1.00 0.00 C ATOM 341 OG1 THR A 135 13.044 0.321 7.847 1.00 0.00 O ATOM 342 CG2 THR A 135 11.885 1.174 5.912 1.00 0.00 C ATOM 0 H THR A 135 12.326 2.642 10.000 1.00 0.00 H new ATOM 0 HA THR A 135 13.114 3.104 7.171 1.00 0.00 H new ATOM 0 HB THR A 135 11.082 0.944 7.897 1.00 0.00 H new ATOM 0 HG1 THR A 135 12.802 -0.589 7.575 1.00 0.00 H new ATOM 0 HG21 THR A 135 11.615 0.163 5.606 1.00 0.00 H new ATOM 0 HG22 THR A 135 11.107 1.869 5.596 1.00 0.00 H new ATOM 0 HG23 THR A 135 12.831 1.453 5.448 1.00 0.00 H new ATOM 350 N PHE A 136 10.737 3.995 6.739 1.00 0.00 N ATOM 351 CA PHE A 136 9.538 4.879 6.685 1.00 0.00 C ATOM 352 C PHE A 136 8.781 4.664 5.371 1.00 0.00 C ATOM 353 O PHE A 136 9.268 4.025 4.460 1.00 0.00 O ATOM 354 CB PHE A 136 10.091 6.302 6.748 1.00 0.00 C ATOM 355 CG PHE A 136 11.060 6.422 7.898 1.00 0.00 C ATOM 356 CD1 PHE A 136 10.586 6.714 9.182 1.00 0.00 C ATOM 357 CD2 PHE A 136 12.432 6.250 7.680 1.00 0.00 C ATOM 358 CE1 PHE A 136 11.483 6.837 10.248 1.00 0.00 C ATOM 359 CE2 PHE A 136 13.329 6.370 8.747 1.00 0.00 C ATOM 360 CZ PHE A 136 12.855 6.664 10.030 1.00 0.00 C ATOM 0 H PHE A 136 11.162 3.787 5.836 1.00 0.00 H new ATOM 0 HA PHE A 136 8.840 4.673 7.496 1.00 0.00 H new ATOM 0 HB2 PHE A 136 10.591 6.550 5.812 1.00 0.00 H new ATOM 0 HB3 PHE A 136 9.275 7.014 6.872 1.00 0.00 H new ATOM 0 HD1 PHE A 136 9.527 6.844 9.350 1.00 0.00 H new ATOM 0 HD2 PHE A 136 12.798 6.025 6.689 1.00 0.00 H new ATOM 0 HE1 PHE A 136 11.118 7.065 11.238 1.00 0.00 H new ATOM 0 HE2 PHE A 136 14.388 6.236 8.580 1.00 0.00 H new ATOM 0 HZ PHE A 136 13.548 6.758 10.853 1.00 0.00 H new ATOM 370 N THR A 137 7.595 5.197 5.267 1.00 0.00 N ATOM 371 CA THR A 137 6.807 5.030 4.012 1.00 0.00 C ATOM 372 C THR A 137 6.305 6.390 3.524 1.00 0.00 C ATOM 373 O THR A 137 6.725 7.425 4.005 1.00 0.00 O ATOM 374 CB THR A 137 5.632 4.129 4.397 1.00 0.00 C ATOM 375 OG1 THR A 137 5.488 4.117 5.810 1.00 0.00 O ATOM 376 CG2 THR A 137 5.888 2.708 3.896 1.00 0.00 C ATOM 0 H THR A 137 7.136 5.742 5.997 1.00 0.00 H new ATOM 0 HA THR A 137 7.399 4.600 3.204 1.00 0.00 H new ATOM 0 HB THR A 137 4.718 4.512 3.942 1.00 0.00 H new ATOM 0 HG1 THR A 137 4.734 3.541 6.057 1.00 0.00 H new ATOM 0 HG21 THR A 137 5.050 2.068 4.172 1.00 0.00 H new ATOM 0 HG22 THR A 137 5.995 2.718 2.811 1.00 0.00 H new ATOM 0 HG23 THR A 137 6.802 2.322 4.347 1.00 0.00 H new ATOM 384 N ASP A 138 5.408 6.401 2.578 1.00 0.00 N ATOM 385 CA ASP A 138 4.884 7.698 2.069 1.00 0.00 C ATOM 386 C ASP A 138 4.317 8.519 3.229 1.00 0.00 C ATOM 387 O ASP A 138 4.554 9.707 3.335 1.00 0.00 O ATOM 388 CB ASP A 138 3.780 7.321 1.083 1.00 0.00 C ATOM 389 CG ASP A 138 2.881 6.252 1.705 1.00 0.00 C ATOM 390 OD1 ASP A 138 3.352 5.142 1.888 1.00 0.00 O ATOM 391 OD2 ASP A 138 1.735 6.562 1.989 1.00 0.00 O ATOM 0 H ASP A 138 5.016 5.569 2.136 1.00 0.00 H new ATOM 0 HA ASP A 138 5.656 8.304 1.595 1.00 0.00 H new ATOM 0 HB2 ASP A 138 3.191 8.202 0.826 1.00 0.00 H new ATOM 0 HB3 ASP A 138 4.217 6.949 0.156 1.00 0.00 H new ATOM 396 N LEU A 139 3.579 7.895 4.104 1.00 0.00 N ATOM 397 CA LEU A 139 3.008 8.640 5.262 1.00 0.00 C ATOM 398 C LEU A 139 4.133 9.328 6.035 1.00 0.00 C ATOM 399 O LEU A 139 4.025 10.472 6.426 1.00 0.00 O ATOM 400 CB LEU A 139 2.333 7.577 6.128 1.00 0.00 C ATOM 401 CG LEU A 139 0.902 7.353 5.641 1.00 0.00 C ATOM 402 CD1 LEU A 139 0.193 6.373 6.578 1.00 0.00 C ATOM 403 CD2 LEU A 139 0.151 8.687 5.639 1.00 0.00 C ATOM 0 H LEU A 139 3.346 6.903 4.068 1.00 0.00 H new ATOM 0 HA LEU A 139 2.305 9.414 4.955 1.00 0.00 H new ATOM 0 HB2 LEU A 139 2.895 6.644 6.080 1.00 0.00 H new ATOM 0 HB3 LEU A 139 2.328 7.893 7.171 1.00 0.00 H new ATOM 0 HG LEU A 139 0.921 6.943 4.631 1.00 0.00 H new ATOM 0 HD11 LEU A 139 -0.828 6.212 6.232 1.00 0.00 H new ATOM 0 HD12 LEU A 139 0.728 5.423 6.584 1.00 0.00 H new ATOM 0 HD13 LEU A 139 0.173 6.784 7.587 1.00 0.00 H new ATOM 0 HD21 LEU A 139 -0.870 8.529 5.292 1.00 0.00 H new ATOM 0 HD22 LEU A 139 0.132 9.095 6.650 1.00 0.00 H new ATOM 0 HD23 LEU A 139 0.656 9.388 4.974 1.00 0.00 H new ATOM 415 N GLU A 140 5.218 8.635 6.252 1.00 0.00 N ATOM 416 CA GLU A 140 6.357 9.246 6.993 1.00 0.00 C ATOM 417 C GLU A 140 7.192 10.110 6.045 1.00 0.00 C ATOM 418 O GLU A 140 8.124 10.775 6.452 1.00 0.00 O ATOM 419 CB GLU A 140 7.180 8.062 7.503 1.00 0.00 C ATOM 420 CG GLU A 140 6.319 7.202 8.434 1.00 0.00 C ATOM 421 CD GLU A 140 6.575 7.607 9.886 1.00 0.00 C ATOM 422 OE1 GLU A 140 7.631 8.161 10.149 1.00 0.00 O ATOM 423 OE2 GLU A 140 5.712 7.357 10.711 1.00 0.00 O ATOM 0 H GLU A 140 5.364 7.672 5.948 1.00 0.00 H new ATOM 0 HA GLU A 140 6.025 9.890 7.807 1.00 0.00 H new ATOM 0 HB2 GLU A 140 7.535 7.464 6.664 1.00 0.00 H new ATOM 0 HB3 GLU A 140 8.062 8.421 8.034 1.00 0.00 H new ATOM 0 HG2 GLU A 140 5.264 7.329 8.191 1.00 0.00 H new ATOM 0 HG3 GLU A 140 6.554 6.147 8.293 1.00 0.00 H new ATOM 430 N ALA A 141 6.863 10.106 4.781 1.00 0.00 N ATOM 431 CA ALA A 141 7.635 10.925 3.803 1.00 0.00 C ATOM 432 C ALA A 141 7.239 12.399 3.915 1.00 0.00 C ATOM 433 O ALA A 141 8.075 13.280 3.887 1.00 0.00 O ATOM 434 CB ALA A 141 7.249 10.369 2.431 1.00 0.00 C ATOM 0 H ALA A 141 6.092 9.570 4.383 1.00 0.00 H new ATOM 0 HA ALA A 141 8.710 10.872 3.978 1.00 0.00 H new ATOM 0 HB1 ALA A 141 7.777 10.921 1.653 1.00 0.00 H new ATOM 0 HB2 ALA A 141 7.520 9.315 2.376 1.00 0.00 H new ATOM 0 HB3 ALA A 141 6.174 10.475 2.285 1.00 0.00 H new ATOM 440 N ASN A 142 5.969 12.675 4.040 1.00 0.00 N ATOM 441 CA ASN A 142 5.522 14.095 4.150 1.00 0.00 C ATOM 442 C ASN A 142 5.799 14.634 5.557 1.00 0.00 C ATOM 443 O ASN A 142 5.709 15.820 5.804 1.00 0.00 O ATOM 444 CB ASN A 142 4.017 14.058 3.877 1.00 0.00 C ATOM 445 CG ASN A 142 3.344 13.094 4.855 1.00 0.00 C ATOM 446 OD1 ASN A 142 3.842 12.864 5.940 1.00 0.00 O ATOM 447 ND2 ASN A 142 2.223 12.517 4.517 1.00 0.00 N ATOM 0 H ASN A 142 5.222 11.981 4.071 1.00 0.00 H new ATOM 0 HA ASN A 142 6.048 14.747 3.453 1.00 0.00 H new ATOM 0 HB2 ASN A 142 3.593 15.056 3.984 1.00 0.00 H new ATOM 0 HB3 ASN A 142 3.831 13.741 2.851 1.00 0.00 H new ATOM 0 HD21 ASN A 142 1.765 11.874 5.163 1.00 0.00 H new ATOM 0 HD22 ASN A 142 1.805 12.709 3.607 1.00 0.00 H new ATOM 454 N GLN A 143 6.131 13.774 6.481 1.00 0.00 N ATOM 455 CA GLN A 143 6.410 14.245 7.868 1.00 0.00 C ATOM 456 C GLN A 143 7.915 14.183 8.159 1.00 0.00 C ATOM 457 O GLN A 143 8.384 14.686 9.159 1.00 0.00 O ATOM 458 CB GLN A 143 5.629 13.288 8.778 1.00 0.00 C ATOM 459 CG GLN A 143 6.427 11.997 8.992 1.00 0.00 C ATOM 460 CD GLN A 143 5.588 11.007 9.802 1.00 0.00 C ATOM 461 OE1 GLN A 143 4.414 10.832 9.541 1.00 0.00 O ATOM 462 NE2 GLN A 143 6.144 10.345 10.780 1.00 0.00 N ATOM 0 H GLN A 143 6.221 12.768 6.336 1.00 0.00 H new ATOM 0 HA GLN A 143 6.109 15.281 8.024 1.00 0.00 H new ATOM 0 HB2 GLN A 143 5.431 13.766 9.737 1.00 0.00 H new ATOM 0 HB3 GLN A 143 4.662 13.057 8.332 1.00 0.00 H new ATOM 0 HG2 GLN A 143 6.697 11.560 8.031 1.00 0.00 H new ATOM 0 HG3 GLN A 143 7.358 12.215 9.516 1.00 0.00 H new ATOM 0 HE21 GLN A 143 7.129 10.491 11.000 1.00 0.00 H new ATOM 0 HE22 GLN A 143 5.593 9.681 11.325 1.00 0.00 H new ATOM 471 N LEU A 144 8.672 13.572 7.289 1.00 0.00 N ATOM 472 CA LEU A 144 10.145 13.480 7.513 1.00 0.00 C ATOM 473 C LEU A 144 10.895 14.313 6.470 1.00 0.00 C ATOM 474 O LEU A 144 12.001 14.760 6.698 1.00 0.00 O ATOM 475 CB LEU A 144 10.481 11.997 7.348 1.00 0.00 C ATOM 476 CG LEU A 144 9.921 11.211 8.533 1.00 0.00 C ATOM 477 CD1 LEU A 144 10.166 9.717 8.315 1.00 0.00 C ATOM 478 CD2 LEU A 144 10.622 11.660 9.817 1.00 0.00 C ATOM 0 H LEU A 144 8.335 13.132 6.432 1.00 0.00 H new ATOM 0 HA LEU A 144 10.434 13.860 8.493 1.00 0.00 H new ATOM 0 HB2 LEU A 144 10.060 11.620 6.416 1.00 0.00 H new ATOM 0 HB3 LEU A 144 11.561 11.863 7.287 1.00 0.00 H new ATOM 0 HG LEU A 144 8.850 11.395 8.619 1.00 0.00 H new ATOM 0 HD11 LEU A 144 9.767 9.156 9.160 1.00 0.00 H new ATOM 0 HD12 LEU A 144 9.669 9.397 7.399 1.00 0.00 H new ATOM 0 HD13 LEU A 144 11.237 9.532 8.230 1.00 0.00 H new ATOM 0 HD21 LEU A 144 10.224 11.101 10.664 1.00 0.00 H new ATOM 0 HD22 LEU A 144 11.693 11.475 9.731 1.00 0.00 H new ATOM 0 HD23 LEU A 144 10.449 12.725 9.972 1.00 0.00 H new ATOM 490 N PHE A 145 10.302 14.521 5.327 1.00 0.00 N ATOM 491 CA PHE A 145 10.982 15.320 4.267 1.00 0.00 C ATOM 492 C PHE A 145 11.556 16.611 4.857 1.00 0.00 C ATOM 493 O PHE A 145 11.004 17.186 5.773 1.00 0.00 O ATOM 494 CB PHE A 145 9.886 15.637 3.249 1.00 0.00 C ATOM 495 CG PHE A 145 10.508 16.163 1.978 1.00 0.00 C ATOM 496 CD1 PHE A 145 11.347 15.341 1.216 1.00 0.00 C ATOM 497 CD2 PHE A 145 10.242 17.472 1.559 1.00 0.00 C ATOM 498 CE1 PHE A 145 11.921 15.830 0.035 1.00 0.00 C ATOM 499 CE2 PHE A 145 10.817 17.960 0.379 1.00 0.00 C ATOM 500 CZ PHE A 145 11.656 17.139 -0.383 1.00 0.00 C ATOM 0 H PHE A 145 9.376 14.172 5.080 1.00 0.00 H new ATOM 0 HA PHE A 145 11.816 14.782 3.817 1.00 0.00 H new ATOM 0 HB2 PHE A 145 9.304 14.740 3.036 1.00 0.00 H new ATOM 0 HB3 PHE A 145 9.197 16.375 3.660 1.00 0.00 H new ATOM 0 HD1 PHE A 145 11.552 14.331 1.538 1.00 0.00 H new ATOM 0 HD2 PHE A 145 9.593 18.106 2.146 1.00 0.00 H new ATOM 0 HE1 PHE A 145 12.568 15.196 -0.553 1.00 0.00 H new ATOM 0 HE2 PHE A 145 10.613 18.970 0.057 1.00 0.00 H new ATOM 0 HZ PHE A 145 12.099 17.515 -1.293 1.00 0.00 H new ATOM 510 N ASP A 146 12.659 17.071 4.334 1.00 0.00 N ATOM 511 CA ASP A 146 13.270 18.327 4.860 1.00 0.00 C ATOM 512 C ASP A 146 13.793 19.184 3.702 1.00 0.00 C ATOM 513 O ASP A 146 14.436 18.684 2.801 1.00 0.00 O ATOM 514 CB ASP A 146 14.423 17.862 5.752 1.00 0.00 C ATOM 515 CG ASP A 146 14.033 18.041 7.220 1.00 0.00 C ATOM 516 OD1 ASP A 146 13.390 19.033 7.525 1.00 0.00 O ATOM 517 OD2 ASP A 146 14.381 17.184 8.015 1.00 0.00 O ATOM 0 H ASP A 146 13.165 16.632 3.565 1.00 0.00 H new ATOM 0 HA ASP A 146 12.554 18.939 5.408 1.00 0.00 H new ATOM 0 HB2 ASP A 146 14.654 16.816 5.551 1.00 0.00 H new ATOM 0 HB3 ASP A 146 15.323 18.436 5.531 1.00 0.00 H new ATOM 522 N PRO A 147 13.490 20.453 3.767 1.00 0.00 N ATOM 523 CA PRO A 147 13.927 21.398 2.709 1.00 0.00 C ATOM 524 C PRO A 147 15.429 21.679 2.821 1.00 0.00 C ATOM 525 O PRO A 147 16.065 22.087 1.871 1.00 0.00 O ATOM 526 CB PRO A 147 13.117 22.658 3.000 1.00 0.00 C ATOM 527 CG PRO A 147 12.789 22.581 4.457 1.00 0.00 C ATOM 528 CD PRO A 147 12.718 21.120 4.820 1.00 0.00 C ATOM 0 HA PRO A 147 13.767 21.014 1.702 1.00 0.00 H new ATOM 0 HB2 PRO A 147 13.690 23.557 2.772 1.00 0.00 H new ATOM 0 HB3 PRO A 147 12.212 22.694 2.393 1.00 0.00 H new ATOM 0 HG2 PRO A 147 13.550 23.088 5.050 1.00 0.00 H new ATOM 0 HG3 PRO A 147 11.840 23.076 4.665 1.00 0.00 H new ATOM 0 HD2 PRO A 147 13.144 20.933 5.806 1.00 0.00 H new ATOM 0 HD3 PRO A 147 11.688 20.765 4.845 1.00 0.00 H new ATOM 536 N MET A 148 15.999 21.468 3.976 1.00 0.00 N ATOM 537 CA MET A 148 17.457 21.728 4.145 1.00 0.00 C ATOM 538 C MET A 148 18.278 20.678 3.391 1.00 0.00 C ATOM 539 O MET A 148 19.372 20.943 2.933 1.00 0.00 O ATOM 540 CB MET A 148 17.707 21.623 5.650 1.00 0.00 C ATOM 541 CG MET A 148 17.391 20.203 6.121 1.00 0.00 C ATOM 542 SD MET A 148 17.611 20.102 7.915 1.00 0.00 S ATOM 543 CE MET A 148 16.338 21.307 8.365 1.00 0.00 C ATOM 0 H MET A 148 15.519 21.127 4.809 1.00 0.00 H new ATOM 0 HA MET A 148 17.749 22.701 3.749 1.00 0.00 H new ATOM 0 HB2 MET A 148 18.744 21.870 5.875 1.00 0.00 H new ATOM 0 HB3 MET A 148 17.085 22.342 6.184 1.00 0.00 H new ATOM 0 HG2 MET A 148 16.368 19.938 5.853 1.00 0.00 H new ATOM 0 HG3 MET A 148 18.046 19.488 5.622 1.00 0.00 H new ATOM 0 HE1 MET A 148 15.883 21.019 9.313 1.00 0.00 H new ATOM 0 HE2 MET A 148 16.790 22.294 8.464 1.00 0.00 H new ATOM 0 HE3 MET A 148 15.573 21.335 7.589 1.00 0.00 H new ATOM 553 N THR A 149 17.760 19.488 3.259 1.00 0.00 N ATOM 554 CA THR A 149 18.514 18.424 2.538 1.00 0.00 C ATOM 555 C THR A 149 17.749 17.985 1.286 1.00 0.00 C ATOM 556 O THR A 149 18.295 17.356 0.402 1.00 0.00 O ATOM 557 CB THR A 149 18.621 17.270 3.536 1.00 0.00 C ATOM 558 OG1 THR A 149 19.034 16.093 2.856 1.00 0.00 O ATOM 559 CG2 THR A 149 17.258 17.031 4.190 1.00 0.00 C ATOM 0 H THR A 149 16.848 19.207 3.619 1.00 0.00 H new ATOM 0 HA THR A 149 19.493 18.766 2.204 1.00 0.00 H new ATOM 0 HB THR A 149 19.352 17.521 4.304 1.00 0.00 H new ATOM 0 HG1 THR A 149 19.785 15.685 3.335 1.00 0.00 H new ATOM 0 HG21 THR A 149 17.335 16.208 4.901 1.00 0.00 H new ATOM 0 HG22 THR A 149 16.942 17.934 4.712 1.00 0.00 H new ATOM 0 HG23 THR A 149 16.525 16.780 3.423 1.00 0.00 H new ATOM 567 N GLY A 150 16.488 18.310 1.205 1.00 0.00 N ATOM 568 CA GLY A 150 15.691 17.909 0.012 1.00 0.00 C ATOM 569 C GLY A 150 15.417 16.405 0.066 1.00 0.00 C ATOM 570 O GLY A 150 15.232 15.759 -0.947 1.00 0.00 O ATOM 0 H GLY A 150 15.976 18.836 1.913 1.00 0.00 H new ATOM 0 HA2 GLY A 150 14.751 18.460 -0.013 1.00 0.00 H new ATOM 0 HA3 GLY A 150 16.232 18.159 -0.901 1.00 0.00 H new ATOM 574 N THR A 151 15.391 15.841 1.243 1.00 0.00 N ATOM 575 CA THR A 151 15.130 14.378 1.365 1.00 0.00 C ATOM 576 C THR A 151 14.351 14.084 2.650 1.00 0.00 C ATOM 577 O THR A 151 13.936 14.982 3.356 1.00 0.00 O ATOM 578 CB THR A 151 16.515 13.731 1.417 1.00 0.00 C ATOM 579 OG1 THR A 151 17.425 14.506 0.648 1.00 0.00 O ATOM 580 CG2 THR A 151 16.444 12.313 0.851 1.00 0.00 C ATOM 0 H THR A 151 15.539 16.330 2.126 1.00 0.00 H new ATOM 0 HA THR A 151 14.532 13.995 0.538 1.00 0.00 H new ATOM 0 HB THR A 151 16.856 13.687 2.451 1.00 0.00 H new ATOM 0 HG1 THR A 151 17.992 15.035 1.247 1.00 0.00 H new ATOM 0 HG21 THR A 151 17.433 11.856 0.890 1.00 0.00 H new ATOM 0 HG22 THR A 151 15.746 11.720 1.442 1.00 0.00 H new ATOM 0 HG23 THR A 151 16.102 12.351 -0.183 1.00 0.00 H new ATOM 588 N PHE A 152 14.154 12.832 2.962 1.00 0.00 N ATOM 589 CA PHE A 152 13.407 12.480 4.203 1.00 0.00 C ATOM 590 C PHE A 152 14.392 12.184 5.336 1.00 0.00 C ATOM 591 O PHE A 152 15.318 11.414 5.178 1.00 0.00 O ATOM 592 CB PHE A 152 12.608 11.227 3.845 1.00 0.00 C ATOM 593 CG PHE A 152 11.905 11.436 2.525 1.00 0.00 C ATOM 594 CD1 PHE A 152 10.746 12.218 2.464 1.00 0.00 C ATOM 595 CD2 PHE A 152 12.413 10.845 1.361 1.00 0.00 C ATOM 596 CE1 PHE A 152 10.094 12.410 1.239 1.00 0.00 C ATOM 597 CE2 PHE A 152 11.761 11.037 0.137 1.00 0.00 C ATOM 598 CZ PHE A 152 10.602 11.819 0.076 1.00 0.00 C ATOM 0 H PHE A 152 14.478 12.037 2.411 1.00 0.00 H new ATOM 0 HA PHE A 152 12.760 13.289 4.543 1.00 0.00 H new ATOM 0 HB2 PHE A 152 13.272 10.365 3.783 1.00 0.00 H new ATOM 0 HB3 PHE A 152 11.879 11.012 4.627 1.00 0.00 H new ATOM 0 HD1 PHE A 152 10.354 12.674 3.361 1.00 0.00 H new ATOM 0 HD2 PHE A 152 13.307 10.241 1.408 1.00 0.00 H new ATOM 0 HE1 PHE A 152 9.200 13.014 1.192 1.00 0.00 H new ATOM 0 HE2 PHE A 152 12.153 10.581 -0.760 1.00 0.00 H new ATOM 0 HZ PHE A 152 10.099 11.967 -0.868 1.00 0.00 H new ATOM 608 N ARG A 153 14.205 12.791 6.474 1.00 0.00 N ATOM 609 CA ARG A 153 15.141 12.541 7.606 1.00 0.00 C ATOM 610 C ARG A 153 14.509 11.597 8.632 1.00 0.00 C ATOM 611 O ARG A 153 13.325 11.647 8.897 1.00 0.00 O ATOM 612 CB ARG A 153 15.396 13.914 8.227 1.00 0.00 C ATOM 613 CG ARG A 153 16.575 14.581 7.517 1.00 0.00 C ATOM 614 CD ARG A 153 16.958 15.866 8.255 1.00 0.00 C ATOM 615 NE ARG A 153 18.429 15.994 8.060 1.00 0.00 N ATOM 616 CZ ARG A 153 19.238 15.839 9.071 1.00 0.00 C ATOM 617 NH1 ARG A 153 18.982 14.937 9.978 1.00 0.00 N ATOM 618 NH2 ARG A 153 20.303 16.585 9.173 1.00 0.00 N ATOM 0 H ARG A 153 13.448 13.447 6.669 1.00 0.00 H new ATOM 0 HA ARG A 153 16.064 12.067 7.272 1.00 0.00 H new ATOM 0 HB2 ARG A 153 14.505 14.536 8.140 1.00 0.00 H new ATOM 0 HB3 ARG A 153 15.609 13.810 9.291 1.00 0.00 H new ATOM 0 HG2 ARG A 153 17.426 13.900 7.485 1.00 0.00 H new ATOM 0 HG3 ARG A 153 16.310 14.808 6.484 1.00 0.00 H new ATOM 0 HD2 ARG A 153 16.429 16.728 7.849 1.00 0.00 H new ATOM 0 HD3 ARG A 153 16.703 15.805 9.313 1.00 0.00 H new ATOM 0 HE ARG A 153 18.804 16.203 7.135 1.00 0.00 H new ATOM 0 HH11 ARG A 153 18.149 14.353 9.896 1.00 0.00 H new ATOM 0 HH12 ARG A 153 19.614 14.815 10.769 1.00 0.00 H new ATOM 0 HH21 ARG A 153 20.503 17.289 8.462 1.00 0.00 H new ATOM 0 HH22 ARG A 153 20.936 16.464 9.963 1.00 0.00 H new ATOM 632 N CYS A 154 15.302 10.744 9.215 1.00 0.00 N ATOM 633 CA CYS A 154 14.775 9.795 10.235 1.00 0.00 C ATOM 634 C CYS A 154 13.919 10.551 11.254 1.00 0.00 C ATOM 635 O CYS A 154 13.789 11.757 11.193 1.00 0.00 O ATOM 636 CB CYS A 154 16.032 9.235 10.892 1.00 0.00 C ATOM 637 SG CYS A 154 15.647 7.741 11.828 1.00 0.00 S ATOM 0 H CYS A 154 16.301 10.662 9.027 1.00 0.00 H new ATOM 0 HA CYS A 154 14.142 9.014 9.814 1.00 0.00 H new ATOM 0 HB2 CYS A 154 16.778 9.011 10.130 1.00 0.00 H new ATOM 0 HB3 CYS A 154 16.467 9.984 11.554 1.00 0.00 H new ATOM 0 HG CYS A 154 16.702 7.355 12.482 1.00 0.00 H new ATOM 642 N THR A 155 13.336 9.858 12.193 1.00 0.00 N ATOM 643 CA THR A 155 12.494 10.555 13.208 1.00 0.00 C ATOM 644 C THR A 155 13.004 10.253 14.619 1.00 0.00 C ATOM 645 O THR A 155 12.669 10.935 15.568 1.00 0.00 O ATOM 646 CB THR A 155 11.079 10.001 13.016 1.00 0.00 C ATOM 647 OG1 THR A 155 11.086 9.009 11.999 1.00 0.00 O ATOM 648 CG2 THR A 155 10.138 11.138 12.614 1.00 0.00 C ATOM 0 H THR A 155 13.405 8.846 12.302 1.00 0.00 H new ATOM 0 HA THR A 155 12.522 11.638 13.085 1.00 0.00 H new ATOM 0 HB THR A 155 10.736 9.556 13.950 1.00 0.00 H new ATOM 0 HG1 THR A 155 10.229 8.534 11.999 1.00 0.00 H new ATOM 0 HG21 THR A 155 9.131 10.745 12.477 1.00 0.00 H new ATOM 0 HG22 THR A 155 10.128 11.896 13.397 1.00 0.00 H new ATOM 0 HG23 THR A 155 10.484 11.584 11.681 1.00 0.00 H new ATOM 656 N PHE A 156 13.815 9.240 14.769 1.00 0.00 N ATOM 657 CA PHE A 156 14.344 8.909 16.124 1.00 0.00 C ATOM 658 C PHE A 156 15.840 9.206 16.185 1.00 0.00 C ATOM 659 O PHE A 156 16.354 9.659 17.189 1.00 0.00 O ATOM 660 CB PHE A 156 14.088 7.412 16.364 1.00 0.00 C ATOM 661 CG PHE A 156 13.435 6.759 15.165 1.00 0.00 C ATOM 662 CD1 PHE A 156 14.207 6.397 14.059 1.00 0.00 C ATOM 663 CD2 PHE A 156 12.056 6.520 15.166 1.00 0.00 C ATOM 664 CE1 PHE A 156 13.602 5.797 12.951 1.00 0.00 C ATOM 665 CE2 PHE A 156 11.450 5.918 14.059 1.00 0.00 C ATOM 666 CZ PHE A 156 12.222 5.558 12.949 1.00 0.00 C ATOM 0 H PHE A 156 14.133 8.630 14.016 1.00 0.00 H new ATOM 0 HA PHE A 156 13.851 9.508 16.890 1.00 0.00 H new ATOM 0 HB2 PHE A 156 15.031 6.912 16.583 1.00 0.00 H new ATOM 0 HB3 PHE A 156 13.450 7.287 17.239 1.00 0.00 H new ATOM 0 HD1 PHE A 156 15.271 6.581 14.060 1.00 0.00 H new ATOM 0 HD2 PHE A 156 11.460 6.801 16.022 1.00 0.00 H new ATOM 0 HE1 PHE A 156 14.199 5.517 12.096 1.00 0.00 H new ATOM 0 HE2 PHE A 156 10.386 5.731 14.061 1.00 0.00 H new ATOM 0 HZ PHE A 156 11.754 5.096 12.092 1.00 0.00 H new ATOM 676 N CYS A 157 16.543 8.963 15.117 1.00 0.00 N ATOM 677 CA CYS A 157 18.004 9.241 15.113 1.00 0.00 C ATOM 678 C CYS A 157 18.322 10.312 14.051 1.00 0.00 C ATOM 679 O CYS A 157 19.455 10.515 13.662 1.00 0.00 O ATOM 680 CB CYS A 157 18.657 7.870 14.841 1.00 0.00 C ATOM 681 SG CYS A 157 19.181 7.704 13.118 1.00 0.00 S ATOM 0 H CYS A 157 16.170 8.584 14.247 1.00 0.00 H new ATOM 0 HA CYS A 157 18.386 9.653 16.047 1.00 0.00 H new ATOM 0 HB2 CYS A 157 19.518 7.741 15.497 1.00 0.00 H new ATOM 0 HB3 CYS A 157 17.950 7.076 15.084 1.00 0.00 H new ATOM 0 HG CYS A 157 19.701 8.824 12.713 1.00 0.00 H new ATOM 686 N HIS A 158 17.305 11.015 13.616 1.00 0.00 N ATOM 687 CA HIS A 158 17.471 12.114 12.610 1.00 0.00 C ATOM 688 C HIS A 158 18.539 11.811 11.552 1.00 0.00 C ATOM 689 O HIS A 158 19.162 12.712 11.025 1.00 0.00 O ATOM 690 CB HIS A 158 17.874 13.334 13.436 1.00 0.00 C ATOM 691 CG HIS A 158 16.643 13.957 14.036 1.00 0.00 C ATOM 692 ND1 HIS A 158 15.941 14.968 13.399 1.00 0.00 N ATOM 693 CD2 HIS A 158 15.976 13.720 15.211 1.00 0.00 C ATOM 694 CE1 HIS A 158 14.903 15.300 14.188 1.00 0.00 C ATOM 695 NE2 HIS A 158 14.877 14.569 15.306 1.00 0.00 N ATOM 0 H HIS A 158 16.343 10.870 13.923 1.00 0.00 H new ATOM 0 HA HIS A 158 16.550 12.257 12.044 1.00 0.00 H new ATOM 0 HB2 HIS A 158 18.568 13.041 14.224 1.00 0.00 H new ATOM 0 HB3 HIS A 158 18.392 14.058 12.807 1.00 0.00 H new ATOM 0 HD2 HIS A 158 16.260 12.986 15.950 1.00 0.00 H new ATOM 0 HE1 HIS A 158 14.179 16.064 13.947 1.00 0.00 H new ATOM 0 HE2 HIS A 158 14.198 14.622 16.065 1.00 0.00 H new ATOM 703 N THR A 159 18.745 10.573 11.208 1.00 0.00 N ATOM 704 CA THR A 159 19.756 10.270 10.157 1.00 0.00 C ATOM 705 C THR A 159 19.087 10.314 8.778 1.00 0.00 C ATOM 706 O THR A 159 17.938 9.946 8.626 1.00 0.00 O ATOM 707 CB THR A 159 20.260 8.865 10.477 1.00 0.00 C ATOM 708 OG1 THR A 159 21.113 8.929 11.611 1.00 0.00 O ATOM 709 CG2 THR A 159 21.037 8.301 9.283 1.00 0.00 C ATOM 0 H THR A 159 18.264 9.765 11.603 1.00 0.00 H new ATOM 0 HA THR A 159 20.575 10.989 10.140 1.00 0.00 H new ATOM 0 HB THR A 159 19.412 8.213 10.685 1.00 0.00 H new ATOM 0 HG1 THR A 159 20.933 8.166 12.199 1.00 0.00 H new ATOM 0 HG21 THR A 159 21.392 7.298 9.521 1.00 0.00 H new ATOM 0 HG22 THR A 159 20.384 8.257 8.412 1.00 0.00 H new ATOM 0 HG23 THR A 159 21.889 8.946 9.066 1.00 0.00 H new ATOM 717 N GLU A 160 19.790 10.766 7.778 1.00 0.00 N ATOM 718 CA GLU A 160 19.188 10.837 6.415 1.00 0.00 C ATOM 719 C GLU A 160 18.791 9.439 5.932 1.00 0.00 C ATOM 720 O GLU A 160 19.586 8.521 5.932 1.00 0.00 O ATOM 721 CB GLU A 160 20.287 11.417 5.525 1.00 0.00 C ATOM 722 CG GLU A 160 19.666 12.367 4.499 1.00 0.00 C ATOM 723 CD GLU A 160 20.312 13.748 4.625 1.00 0.00 C ATOM 724 OE1 GLU A 160 20.547 14.170 5.745 1.00 0.00 O ATOM 725 OE2 GLU A 160 20.559 14.359 3.598 1.00 0.00 O ATOM 0 H GLU A 160 20.755 11.090 7.844 1.00 0.00 H new ATOM 0 HA GLU A 160 18.284 11.445 6.398 1.00 0.00 H new ATOM 0 HB2 GLU A 160 21.019 11.949 6.133 1.00 0.00 H new ATOM 0 HB3 GLU A 160 20.819 10.613 5.016 1.00 0.00 H new ATOM 0 HG2 GLU A 160 19.811 11.977 3.492 1.00 0.00 H new ATOM 0 HG3 GLU A 160 18.591 12.441 4.660 1.00 0.00 H new ATOM 732 N VAL A 161 17.565 9.272 5.513 1.00 0.00 N ATOM 733 CA VAL A 161 17.118 7.937 5.024 1.00 0.00 C ATOM 734 C VAL A 161 17.102 7.918 3.493 1.00 0.00 C ATOM 735 O VAL A 161 17.050 8.948 2.851 1.00 0.00 O ATOM 736 CB VAL A 161 15.702 7.762 5.573 1.00 0.00 C ATOM 737 CG1 VAL A 161 15.685 8.092 7.066 1.00 0.00 C ATOM 738 CG2 VAL A 161 14.750 8.705 4.835 1.00 0.00 C ATOM 0 H VAL A 161 16.854 10.003 5.489 1.00 0.00 H new ATOM 0 HA VAL A 161 17.781 7.136 5.350 1.00 0.00 H new ATOM 0 HB VAL A 161 15.383 6.730 5.426 1.00 0.00 H new ATOM 0 HG11 VAL A 161 14.674 7.966 7.455 1.00 0.00 H new ATOM 0 HG12 VAL A 161 16.363 7.422 7.594 1.00 0.00 H new ATOM 0 HG13 VAL A 161 16.005 9.123 7.214 1.00 0.00 H new ATOM 0 HG21 VAL A 161 13.740 8.581 5.226 1.00 0.00 H new ATOM 0 HG22 VAL A 161 15.072 9.736 4.982 1.00 0.00 H new ATOM 0 HG23 VAL A 161 14.759 8.471 3.770 1.00 0.00 H new ATOM 748 N GLU A 162 17.144 6.755 2.904 1.00 0.00 N ATOM 749 CA GLU A 162 17.129 6.675 1.415 1.00 0.00 C ATOM 750 C GLU A 162 15.998 5.754 0.949 1.00 0.00 C ATOM 751 O GLU A 162 15.486 4.953 1.705 1.00 0.00 O ATOM 752 CB GLU A 162 18.490 6.089 1.037 1.00 0.00 C ATOM 753 CG GLU A 162 19.543 7.199 1.036 1.00 0.00 C ATOM 754 CD GLU A 162 20.516 6.979 -0.123 1.00 0.00 C ATOM 755 OE1 GLU A 162 21.338 6.083 -0.018 1.00 0.00 O ATOM 756 OE2 GLU A 162 20.423 7.709 -1.095 1.00 0.00 O ATOM 0 H GLU A 162 17.188 5.858 3.387 1.00 0.00 H new ATOM 0 HA GLU A 162 16.961 7.646 0.949 1.00 0.00 H new ATOM 0 HB2 GLU A 162 18.770 5.308 1.744 1.00 0.00 H new ATOM 0 HB3 GLU A 162 18.436 5.624 0.053 1.00 0.00 H new ATOM 0 HG2 GLU A 162 19.061 8.172 0.940 1.00 0.00 H new ATOM 0 HG3 GLU A 162 20.083 7.203 1.983 1.00 0.00 H new ATOM 763 N GLU A 163 15.602 5.864 -0.289 1.00 0.00 N ATOM 764 CA GLU A 163 14.501 4.995 -0.798 1.00 0.00 C ATOM 765 C GLU A 163 14.907 3.522 -0.713 1.00 0.00 C ATOM 766 O GLU A 163 15.967 3.132 -1.162 1.00 0.00 O ATOM 767 CB GLU A 163 14.305 5.415 -2.254 1.00 0.00 C ATOM 768 CG GLU A 163 13.403 6.650 -2.310 1.00 0.00 C ATOM 769 CD GLU A 163 12.125 6.314 -3.082 1.00 0.00 C ATOM 770 OE1 GLU A 163 12.239 5.885 -4.219 1.00 0.00 O ATOM 771 OE2 GLU A 163 11.055 6.494 -2.525 1.00 0.00 O ATOM 0 H GLU A 163 15.991 6.516 -0.970 1.00 0.00 H new ATOM 0 HA GLU A 163 13.586 5.105 -0.216 1.00 0.00 H new ATOM 0 HB2 GLU A 163 15.269 5.634 -2.714 1.00 0.00 H new ATOM 0 HB3 GLU A 163 13.859 4.599 -2.822 1.00 0.00 H new ATOM 0 HG2 GLU A 163 13.155 6.978 -1.301 1.00 0.00 H new ATOM 0 HG3 GLU A 163 13.927 7.474 -2.794 1.00 0.00 H new ATOM 778 N ASP A 164 14.069 2.700 -0.143 1.00 0.00 N ATOM 779 CA ASP A 164 14.404 1.253 -0.031 1.00 0.00 C ATOM 780 C ASP A 164 13.780 0.477 -1.194 1.00 0.00 C ATOM 781 O ASP A 164 12.575 0.375 -1.308 1.00 0.00 O ATOM 782 CB ASP A 164 13.798 0.807 1.301 1.00 0.00 C ATOM 783 CG ASP A 164 14.132 -0.666 1.548 1.00 0.00 C ATOM 784 OD1 ASP A 164 14.054 -1.436 0.606 1.00 0.00 O ATOM 785 OD2 ASP A 164 14.459 -0.997 2.675 1.00 0.00 O ATOM 0 H ASP A 164 13.167 2.968 0.250 1.00 0.00 H new ATOM 0 HA ASP A 164 15.478 1.072 -0.068 1.00 0.00 H new ATOM 0 HB2 ASP A 164 14.188 1.420 2.113 1.00 0.00 H new ATOM 0 HB3 ASP A 164 12.717 0.948 1.286 1.00 0.00 H new