USER MOD reduce.3.24.130724 H: found=0, std=0, add=276, rem=0, adj=15 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 128 LYS NZ :NH3+ 138:sc= 0.331 (180deg=0) USER MOD Set 1.2: A 135 THR OG1 : rot 161:sc= -0.147 USER MOD Set 2.1: A 129 CYS SG : rot 149:sc= -2.7! USER MOD Set 2.2: A 132 CYS SG : rot 106:sc= -1.73! USER MOD Set 2.3: A 134 SER OG : rot -164:sc= 1.57 USER MOD Set 2.4: A 154 CYS SG : rot -66:sc= -6.55! USER MOD Set 2.5: A 157 CYS SG : rot 41:sc= -1.53! USER MOD Set 2.6: A 159 THR OG1 : rot 140:sc= -1.54 USER MOD Single : A 126 SER OG : rot -21:sc= 0.828 USER MOD Single : A 133 SER OG : rot 48:sc= -0.486! USER MOD Single : A 137 THR OG1 : rot 180:sc= 0 USER MOD Single : A 142 ASN : amide:sc= -0.296 K(o=-0.3,f=-1.2) USER MOD Single : A 143 GLN : amide:sc= -2.11! C(o=-2.1!,f=-2!) USER MOD Single : A 148 MET CE :methyl -152:sc= -0.133 (180deg=-0.36) USER MOD Single : A 149 THR OG1 : rot 180:sc= 0 USER MOD Single : A 151 THR OG1 : rot 180:sc= -1.48 USER MOD Single : A 155 THR OG1 : rot 180:sc= -0.791 USER MOD Single : A 158 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 211 N SER A 126 8.693 4.147 0.212 1.00 0.00 N ATOM 212 CA SER A 126 9.347 3.419 1.338 1.00 0.00 C ATOM 213 C SER A 126 10.791 3.894 1.507 1.00 0.00 C ATOM 214 O SER A 126 11.576 3.867 0.580 1.00 0.00 O ATOM 215 CB SER A 126 9.311 1.946 0.930 1.00 0.00 C ATOM 216 OG SER A 126 9.535 1.840 -0.469 1.00 0.00 O ATOM 0 HA SER A 126 8.844 3.591 2.289 1.00 0.00 H new ATOM 0 HB2 SER A 126 10.072 1.387 1.475 1.00 0.00 H new ATOM 0 HB3 SER A 126 8.347 1.508 1.190 1.00 0.00 H new ATOM 0 HG SER A 126 9.331 2.697 -0.899 1.00 0.00 H new ATOM 222 N PHE A 127 11.147 4.332 2.683 1.00 0.00 N ATOM 223 CA PHE A 127 12.541 4.811 2.911 1.00 0.00 C ATOM 224 C PHE A 127 13.184 4.040 4.067 1.00 0.00 C ATOM 225 O PHE A 127 12.517 3.612 4.988 1.00 0.00 O ATOM 226 CB PHE A 127 12.398 6.290 3.269 1.00 0.00 C ATOM 227 CG PHE A 127 11.573 6.989 2.215 1.00 0.00 C ATOM 228 CD1 PHE A 127 12.171 7.403 1.018 1.00 0.00 C ATOM 229 CD2 PHE A 127 10.211 7.226 2.435 1.00 0.00 C ATOM 230 CE1 PHE A 127 11.407 8.053 0.042 1.00 0.00 C ATOM 231 CE2 PHE A 127 9.447 7.877 1.460 1.00 0.00 C ATOM 232 CZ PHE A 127 10.044 8.290 0.262 1.00 0.00 C ATOM 0 H PHE A 127 10.533 4.379 3.496 1.00 0.00 H new ATOM 0 HA PHE A 127 13.176 4.662 2.038 1.00 0.00 H new ATOM 0 HB2 PHE A 127 11.924 6.394 4.245 1.00 0.00 H new ATOM 0 HB3 PHE A 127 13.382 6.754 3.342 1.00 0.00 H new ATOM 0 HD1 PHE A 127 13.222 7.221 0.848 1.00 0.00 H new ATOM 0 HD2 PHE A 127 9.750 6.906 3.358 1.00 0.00 H new ATOM 0 HE1 PHE A 127 11.868 8.372 -0.881 1.00 0.00 H new ATOM 0 HE2 PHE A 127 8.397 8.061 1.631 1.00 0.00 H new ATOM 0 HZ PHE A 127 9.454 8.791 -0.491 1.00 0.00 H new ATOM 242 N LYS A 128 14.477 3.861 4.028 1.00 0.00 N ATOM 243 CA LYS A 128 15.158 3.122 5.125 1.00 0.00 C ATOM 244 C LYS A 128 16.331 3.944 5.668 1.00 0.00 C ATOM 245 O LYS A 128 17.022 4.621 4.934 1.00 0.00 O ATOM 246 CB LYS A 128 15.651 1.822 4.486 1.00 0.00 C ATOM 247 CG LYS A 128 16.743 1.199 5.360 1.00 0.00 C ATOM 248 CD LYS A 128 16.539 -0.316 5.430 1.00 0.00 C ATOM 249 CE LYS A 128 16.014 -0.696 6.817 1.00 0.00 C ATOM 250 NZ LYS A 128 14.821 -1.549 6.555 1.00 0.00 N ATOM 0 H LYS A 128 15.089 4.195 3.284 1.00 0.00 H new ATOM 0 HA LYS A 128 14.494 2.929 5.968 1.00 0.00 H new ATOM 0 HB2 LYS A 128 14.821 1.124 4.371 1.00 0.00 H new ATOM 0 HB3 LYS A 128 16.040 2.021 3.488 1.00 0.00 H new ATOM 0 HG2 LYS A 128 17.726 1.425 4.948 1.00 0.00 H new ATOM 0 HG3 LYS A 128 16.710 1.628 6.362 1.00 0.00 H new ATOM 0 HD2 LYS A 128 15.834 -0.635 4.662 1.00 0.00 H new ATOM 0 HD3 LYS A 128 17.480 -0.830 5.232 1.00 0.00 H new ATOM 0 HE2 LYS A 128 16.768 -1.236 7.390 1.00 0.00 H new ATOM 0 HE3 LYS A 128 15.748 0.189 7.395 1.00 0.00 H new ATOM 0 HZ1 LYS A 128 14.822 -2.357 7.209 1.00 0.00 H new ATOM 0 HZ2 LYS A 128 13.956 -0.989 6.697 1.00 0.00 H new ATOM 0 HZ3 LYS A 128 14.851 -1.897 5.575 1.00 0.00 H new ATOM 264 N CYS A 129 16.555 3.887 6.952 1.00 0.00 N ATOM 265 CA CYS A 129 17.675 4.660 7.553 1.00 0.00 C ATOM 266 C CYS A 129 18.950 3.810 7.578 1.00 0.00 C ATOM 267 O CYS A 129 18.911 2.643 7.907 1.00 0.00 O ATOM 268 CB CYS A 129 17.207 4.974 8.971 1.00 0.00 C ATOM 269 SG CYS A 129 18.441 5.985 9.810 1.00 0.00 S ATOM 0 H CYS A 129 16.007 3.335 7.612 1.00 0.00 H new ATOM 0 HA CYS A 129 17.912 5.563 6.990 1.00 0.00 H new ATOM 0 HB2 CYS A 129 16.252 5.499 8.941 1.00 0.00 H new ATOM 0 HB3 CYS A 129 17.045 4.049 9.524 1.00 0.00 H new ATOM 0 HG CYS A 129 17.852 6.769 10.664 1.00 0.00 H new ATOM 274 N PRO A 130 20.041 4.428 7.214 1.00 0.00 N ATOM 275 CA PRO A 130 21.342 3.720 7.180 1.00 0.00 C ATOM 276 C PRO A 130 21.959 3.611 8.581 1.00 0.00 C ATOM 277 O PRO A 130 22.766 2.740 8.841 1.00 0.00 O ATOM 278 CB PRO A 130 22.201 4.607 6.286 1.00 0.00 C ATOM 279 CG PRO A 130 21.608 5.978 6.394 1.00 0.00 C ATOM 280 CD PRO A 130 20.160 5.827 6.799 1.00 0.00 C ATOM 0 HA PRO A 130 21.251 2.696 6.818 1.00 0.00 H new ATOM 0 HB2 PRO A 130 23.241 4.603 6.612 1.00 0.00 H new ATOM 0 HB3 PRO A 130 22.189 4.254 5.255 1.00 0.00 H new ATOM 0 HG2 PRO A 130 22.150 6.571 7.130 1.00 0.00 H new ATOM 0 HG3 PRO A 130 21.685 6.503 5.442 1.00 0.00 H new ATOM 0 HD2 PRO A 130 19.902 6.506 7.612 1.00 0.00 H new ATOM 0 HD3 PRO A 130 19.490 6.054 5.970 1.00 0.00 H new ATOM 288 N VAL A 131 21.606 4.489 9.481 1.00 0.00 N ATOM 289 CA VAL A 131 22.199 4.424 10.850 1.00 0.00 C ATOM 290 C VAL A 131 21.425 3.448 11.740 1.00 0.00 C ATOM 291 O VAL A 131 21.901 2.377 12.057 1.00 0.00 O ATOM 292 CB VAL A 131 22.111 5.851 11.402 1.00 0.00 C ATOM 293 CG1 VAL A 131 22.267 5.827 12.925 1.00 0.00 C ATOM 294 CG2 VAL A 131 23.236 6.696 10.797 1.00 0.00 C ATOM 0 H VAL A 131 20.937 5.244 9.330 1.00 0.00 H new ATOM 0 HA VAL A 131 23.227 4.063 10.823 1.00 0.00 H new ATOM 0 HB VAL A 131 21.143 6.279 11.143 1.00 0.00 H new ATOM 0 HG11 VAL A 131 22.204 6.844 13.313 1.00 0.00 H new ATOM 0 HG12 VAL A 131 21.473 5.221 13.363 1.00 0.00 H new ATOM 0 HG13 VAL A 131 23.235 5.399 13.185 1.00 0.00 H new ATOM 0 HG21 VAL A 131 23.178 7.712 11.187 1.00 0.00 H new ATOM 0 HG22 VAL A 131 24.200 6.261 11.061 1.00 0.00 H new ATOM 0 HG23 VAL A 131 23.132 6.717 9.712 1.00 0.00 H new ATOM 304 N CYS A 132 20.243 3.808 12.155 1.00 0.00 N ATOM 305 CA CYS A 132 19.465 2.887 13.035 1.00 0.00 C ATOM 306 C CYS A 132 18.671 1.877 12.191 1.00 0.00 C ATOM 307 O CYS A 132 17.765 1.224 12.668 1.00 0.00 O ATOM 308 CB CYS A 132 18.551 3.793 13.870 1.00 0.00 C ATOM 309 SG CYS A 132 17.137 4.341 12.889 1.00 0.00 S ATOM 0 H CYS A 132 19.784 4.690 11.927 1.00 0.00 H new ATOM 0 HA CYS A 132 20.107 2.289 13.681 1.00 0.00 H new ATOM 0 HB2 CYS A 132 18.203 3.255 14.752 1.00 0.00 H new ATOM 0 HB3 CYS A 132 19.112 4.658 14.225 1.00 0.00 H new ATOM 0 HG CYS A 132 16.071 3.703 13.270 1.00 0.00 H new ATOM 314 N SER A 133 19.037 1.728 10.943 1.00 0.00 N ATOM 315 CA SER A 133 18.355 0.743 10.047 1.00 0.00 C ATOM 316 C SER A 133 16.833 0.822 10.159 1.00 0.00 C ATOM 317 O SER A 133 16.133 -0.117 9.834 1.00 0.00 O ATOM 318 CB SER A 133 18.851 -0.628 10.508 1.00 0.00 C ATOM 319 OG SER A 133 18.948 -0.648 11.925 1.00 0.00 O ATOM 0 H SER A 133 19.790 2.254 10.500 1.00 0.00 H new ATOM 0 HA SER A 133 18.587 0.943 9.001 1.00 0.00 H new ATOM 0 HB2 SER A 133 18.167 -1.406 10.169 1.00 0.00 H new ATOM 0 HB3 SER A 133 19.823 -0.843 10.064 1.00 0.00 H new ATOM 0 HG SER A 133 18.122 -0.293 12.314 1.00 0.00 H new ATOM 325 N SER A 134 16.303 1.929 10.591 1.00 0.00 N ATOM 326 CA SER A 134 14.822 2.038 10.689 1.00 0.00 C ATOM 327 C SER A 134 14.233 2.195 9.284 1.00 0.00 C ATOM 328 O SER A 134 14.935 2.095 8.298 1.00 0.00 O ATOM 329 CB SER A 134 14.567 3.287 11.526 1.00 0.00 C ATOM 330 OG SER A 134 14.755 2.975 12.900 1.00 0.00 O ATOM 0 H SER A 134 16.825 2.757 10.878 1.00 0.00 H new ATOM 0 HA SER A 134 14.362 1.158 11.139 1.00 0.00 H new ATOM 0 HB2 SER A 134 15.246 4.085 11.226 1.00 0.00 H new ATOM 0 HB3 SER A 134 13.553 3.651 11.359 1.00 0.00 H new ATOM 0 HG SER A 134 14.359 3.681 13.453 1.00 0.00 H new ATOM 336 N THR A 135 12.955 2.435 9.175 1.00 0.00 N ATOM 337 CA THR A 135 12.353 2.589 7.819 1.00 0.00 C ATOM 338 C THR A 135 11.119 3.492 7.865 1.00 0.00 C ATOM 339 O THR A 135 10.558 3.748 8.912 1.00 0.00 O ATOM 340 CB THR A 135 11.959 1.175 7.393 1.00 0.00 C ATOM 341 OG1 THR A 135 12.971 0.261 7.794 1.00 0.00 O ATOM 342 CG2 THR A 135 11.794 1.129 5.874 1.00 0.00 C ATOM 0 H THR A 135 12.307 2.530 9.957 1.00 0.00 H new ATOM 0 HA THR A 135 13.051 3.052 7.121 1.00 0.00 H new ATOM 0 HB THR A 135 11.017 0.899 7.866 1.00 0.00 H new ATOM 0 HG1 THR A 135 12.605 -0.648 7.806 1.00 0.00 H new ATOM 0 HG21 THR A 135 11.513 0.121 5.569 1.00 0.00 H new ATOM 0 HG22 THR A 135 11.016 1.830 5.571 1.00 0.00 H new ATOM 0 HG23 THR A 135 12.735 1.403 5.397 1.00 0.00 H new ATOM 350 N PHE A 136 10.694 3.972 6.728 1.00 0.00 N ATOM 351 CA PHE A 136 9.496 4.857 6.688 1.00 0.00 C ATOM 352 C PHE A 136 8.723 4.635 5.385 1.00 0.00 C ATOM 353 O PHE A 136 9.146 3.899 4.517 1.00 0.00 O ATOM 354 CB PHE A 136 10.048 6.280 6.745 1.00 0.00 C ATOM 355 CG PHE A 136 11.041 6.395 7.877 1.00 0.00 C ATOM 356 CD1 PHE A 136 10.587 6.594 9.186 1.00 0.00 C ATOM 357 CD2 PHE A 136 12.414 6.305 7.618 1.00 0.00 C ATOM 358 CE1 PHE A 136 11.505 6.705 10.237 1.00 0.00 C ATOM 359 CE2 PHE A 136 13.332 6.415 8.669 1.00 0.00 C ATOM 360 CZ PHE A 136 12.878 6.615 9.978 1.00 0.00 C ATOM 0 H PHE A 136 11.126 3.789 5.823 1.00 0.00 H new ATOM 0 HA PHE A 136 8.807 4.656 7.508 1.00 0.00 H new ATOM 0 HB2 PHE A 136 10.529 6.532 5.800 1.00 0.00 H new ATOM 0 HB3 PHE A 136 9.234 6.991 6.889 1.00 0.00 H new ATOM 0 HD1 PHE A 136 9.528 6.662 9.385 1.00 0.00 H new ATOM 0 HD2 PHE A 136 12.765 6.151 6.608 1.00 0.00 H new ATOM 0 HE1 PHE A 136 11.154 6.860 11.247 1.00 0.00 H new ATOM 0 HE2 PHE A 136 14.391 6.346 8.470 1.00 0.00 H new ATOM 0 HZ PHE A 136 13.587 6.700 10.788 1.00 0.00 H new ATOM 370 N THR A 137 7.594 5.270 5.244 1.00 0.00 N ATOM 371 CA THR A 137 6.789 5.106 3.997 1.00 0.00 C ATOM 372 C THR A 137 6.338 6.476 3.484 1.00 0.00 C ATOM 373 O THR A 137 6.920 7.491 3.808 1.00 0.00 O ATOM 374 CB THR A 137 5.580 4.260 4.410 1.00 0.00 C ATOM 375 OG1 THR A 137 5.495 4.213 5.827 1.00 0.00 O ATOM 376 CG2 THR A 137 5.735 2.841 3.859 1.00 0.00 C ATOM 0 H THR A 137 7.191 5.898 5.939 1.00 0.00 H new ATOM 0 HA THR A 137 7.357 4.634 3.195 1.00 0.00 H new ATOM 0 HB THR A 137 4.671 4.707 4.007 1.00 0.00 H new ATOM 0 HG1 THR A 137 4.721 3.673 6.091 1.00 0.00 H new ATOM 0 HG21 THR A 137 4.874 2.240 4.153 1.00 0.00 H new ATOM 0 HG22 THR A 137 5.797 2.878 2.771 1.00 0.00 H new ATOM 0 HG23 THR A 137 6.644 2.393 4.259 1.00 0.00 H new ATOM 384 N ASP A 138 5.306 6.515 2.685 1.00 0.00 N ATOM 385 CA ASP A 138 4.828 7.826 2.159 1.00 0.00 C ATOM 386 C ASP A 138 4.305 8.692 3.305 1.00 0.00 C ATOM 387 O ASP A 138 4.635 9.856 3.417 1.00 0.00 O ATOM 388 CB ASP A 138 3.700 7.479 1.188 1.00 0.00 C ATOM 389 CG ASP A 138 2.733 6.500 1.855 1.00 0.00 C ATOM 390 OD1 ASP A 138 3.151 5.391 2.147 1.00 0.00 O ATOM 391 OD2 ASP A 138 1.591 6.874 2.064 1.00 0.00 O ATOM 0 H ASP A 138 4.776 5.701 2.375 1.00 0.00 H new ATOM 0 HA ASP A 138 5.622 8.390 1.671 1.00 0.00 H new ATOM 0 HB2 ASP A 138 3.170 8.384 0.892 1.00 0.00 H new ATOM 0 HB3 ASP A 138 4.111 7.038 0.280 1.00 0.00 H new ATOM 396 N LEU A 139 3.497 8.133 4.164 1.00 0.00 N ATOM 397 CA LEU A 139 2.961 8.925 5.305 1.00 0.00 C ATOM 398 C LEU A 139 4.116 9.565 6.075 1.00 0.00 C ATOM 399 O LEU A 139 4.060 10.716 6.460 1.00 0.00 O ATOM 400 CB LEU A 139 2.229 7.912 6.184 1.00 0.00 C ATOM 401 CG LEU A 139 0.771 7.804 5.734 1.00 0.00 C ATOM 402 CD1 LEU A 139 0.011 6.882 6.687 1.00 0.00 C ATOM 403 CD2 LEU A 139 0.130 9.194 5.749 1.00 0.00 C ATOM 0 H LEU A 139 3.186 7.163 4.124 1.00 0.00 H new ATOM 0 HA LEU A 139 2.301 9.730 4.981 1.00 0.00 H new ATOM 0 HB2 LEU A 139 2.714 6.938 6.116 1.00 0.00 H new ATOM 0 HB3 LEU A 139 2.276 8.220 7.229 1.00 0.00 H new ATOM 0 HG LEU A 139 0.731 7.395 4.724 1.00 0.00 H new ATOM 0 HD11 LEU A 139 -1.028 6.805 6.367 1.00 0.00 H new ATOM 0 HD12 LEU A 139 0.468 5.893 6.678 1.00 0.00 H new ATOM 0 HD13 LEU A 139 0.050 7.290 7.697 1.00 0.00 H new ATOM 0 HD21 LEU A 139 -0.909 9.119 5.429 1.00 0.00 H new ATOM 0 HD22 LEU A 139 0.170 9.602 6.759 1.00 0.00 H new ATOM 0 HD23 LEU A 139 0.672 9.852 5.070 1.00 0.00 H new ATOM 415 N GLU A 140 5.168 8.825 6.293 1.00 0.00 N ATOM 416 CA GLU A 140 6.335 9.383 7.029 1.00 0.00 C ATOM 417 C GLU A 140 7.178 10.239 6.081 1.00 0.00 C ATOM 418 O GLU A 140 8.038 10.988 6.499 1.00 0.00 O ATOM 419 CB GLU A 140 7.125 8.162 7.497 1.00 0.00 C ATOM 420 CG GLU A 140 6.204 7.226 8.283 1.00 0.00 C ATOM 421 CD GLU A 140 6.666 7.159 9.739 1.00 0.00 C ATOM 422 OE1 GLU A 140 6.217 7.981 10.521 1.00 0.00 O ATOM 423 OE2 GLU A 140 7.462 6.287 10.048 1.00 0.00 O ATOM 0 H GLU A 140 5.269 7.856 5.992 1.00 0.00 H new ATOM 0 HA GLU A 140 6.041 10.019 7.864 1.00 0.00 H new ATOM 0 HB2 GLU A 140 7.546 7.638 6.639 1.00 0.00 H new ATOM 0 HB3 GLU A 140 7.961 8.475 8.122 1.00 0.00 H new ATOM 0 HG2 GLU A 140 5.176 7.584 8.233 1.00 0.00 H new ATOM 0 HG3 GLU A 140 6.217 6.230 7.840 1.00 0.00 H new ATOM 430 N ALA A 141 6.934 10.129 4.803 1.00 0.00 N ATOM 431 CA ALA A 141 7.713 10.932 3.819 1.00 0.00 C ATOM 432 C ALA A 141 7.261 12.395 3.853 1.00 0.00 C ATOM 433 O ALA A 141 8.046 13.302 3.666 1.00 0.00 O ATOM 434 CB ALA A 141 7.397 10.304 2.460 1.00 0.00 C ATOM 0 H ALA A 141 6.227 9.516 4.398 1.00 0.00 H new ATOM 0 HA ALA A 141 8.782 10.926 4.033 1.00 0.00 H new ATOM 0 HB1 ALA A 141 7.934 10.840 1.678 1.00 0.00 H new ATOM 0 HB2 ALA A 141 7.706 9.259 2.462 1.00 0.00 H new ATOM 0 HB3 ALA A 141 6.325 10.365 2.271 1.00 0.00 H new ATOM 440 N ASN A 142 5.999 12.630 4.092 1.00 0.00 N ATOM 441 CA ASN A 142 5.500 14.035 4.138 1.00 0.00 C ATOM 442 C ASN A 142 5.823 14.668 5.494 1.00 0.00 C ATOM 443 O ASN A 142 5.688 15.862 5.680 1.00 0.00 O ATOM 444 CB ASN A 142 3.987 13.925 3.944 1.00 0.00 C ATOM 445 CG ASN A 142 3.686 12.953 2.802 1.00 0.00 C ATOM 446 OD1 ASN A 142 4.462 12.829 1.874 1.00 0.00 O ATOM 447 ND2 ASN A 142 2.586 12.252 2.829 1.00 0.00 N ATOM 0 H ASN A 142 5.293 11.912 4.257 1.00 0.00 H new ATOM 0 HA ASN A 142 5.964 14.663 3.377 1.00 0.00 H new ATOM 0 HB2 ASN A 142 3.516 13.578 4.864 1.00 0.00 H new ATOM 0 HB3 ASN A 142 3.566 14.906 3.721 1.00 0.00 H new ATOM 0 HD21 ASN A 142 2.378 11.601 2.072 1.00 0.00 H new ATOM 0 HD22 ASN A 142 1.934 12.355 3.607 1.00 0.00 H new ATOM 454 N GLN A 143 6.244 13.878 6.443 1.00 0.00 N ATOM 455 CA GLN A 143 6.572 14.436 7.785 1.00 0.00 C ATOM 456 C GLN A 143 8.088 14.421 8.009 1.00 0.00 C ATOM 457 O GLN A 143 8.627 15.239 8.727 1.00 0.00 O ATOM 458 CB GLN A 143 5.861 13.513 8.779 1.00 0.00 C ATOM 459 CG GLN A 143 6.649 12.210 8.931 1.00 0.00 C ATOM 460 CD GLN A 143 5.928 11.291 9.918 1.00 0.00 C ATOM 461 OE1 GLN A 143 6.551 10.671 10.757 1.00 0.00 O ATOM 462 NE2 GLN A 143 4.629 11.174 9.852 1.00 0.00 N ATOM 0 H GLN A 143 6.375 12.871 6.347 1.00 0.00 H new ATOM 0 HA GLN A 143 6.252 15.472 7.896 1.00 0.00 H new ATOM 0 HB2 GLN A 143 5.768 14.007 9.746 1.00 0.00 H new ATOM 0 HB3 GLN A 143 4.850 13.299 8.432 1.00 0.00 H new ATOM 0 HG2 GLN A 143 6.747 11.717 7.964 1.00 0.00 H new ATOM 0 HG3 GLN A 143 7.658 12.422 9.285 1.00 0.00 H new ATOM 0 HE21 GLN A 143 4.105 11.694 9.148 1.00 0.00 H new ATOM 0 HE22 GLN A 143 4.138 10.563 10.504 1.00 0.00 H new ATOM 471 N LEU A 144 8.778 13.496 7.398 1.00 0.00 N ATOM 472 CA LEU A 144 10.258 13.431 7.574 1.00 0.00 C ATOM 473 C LEU A 144 10.957 14.288 6.515 1.00 0.00 C ATOM 474 O LEU A 144 12.044 14.787 6.726 1.00 0.00 O ATOM 475 CB LEU A 144 10.616 11.955 7.388 1.00 0.00 C ATOM 476 CG LEU A 144 10.033 11.138 8.543 1.00 0.00 C ATOM 477 CD1 LEU A 144 10.412 9.666 8.368 1.00 0.00 C ATOM 478 CD2 LEU A 144 10.597 11.655 9.868 1.00 0.00 C ATOM 0 H LEU A 144 8.382 12.783 6.785 1.00 0.00 H new ATOM 0 HA LEU A 144 10.573 13.809 8.547 1.00 0.00 H new ATOM 0 HB2 LEU A 144 10.224 11.592 6.438 1.00 0.00 H new ATOM 0 HB3 LEU A 144 11.699 11.834 7.353 1.00 0.00 H new ATOM 0 HG LEU A 144 8.947 11.236 8.546 1.00 0.00 H new ATOM 0 HD11 LEU A 144 9.997 9.083 9.190 1.00 0.00 H new ATOM 0 HD12 LEU A 144 10.012 9.297 7.424 1.00 0.00 H new ATOM 0 HD13 LEU A 144 11.498 9.568 8.365 1.00 0.00 H new ATOM 0 HD21 LEU A 144 10.182 11.074 10.692 1.00 0.00 H new ATOM 0 HD22 LEU A 144 11.683 11.556 9.865 1.00 0.00 H new ATOM 0 HD23 LEU A 144 10.329 12.704 9.993 1.00 0.00 H new ATOM 490 N PHE A 145 10.342 14.460 5.377 1.00 0.00 N ATOM 491 CA PHE A 145 10.971 15.283 4.305 1.00 0.00 C ATOM 492 C PHE A 145 11.162 16.723 4.787 1.00 0.00 C ATOM 493 O PHE A 145 10.222 17.384 5.184 1.00 0.00 O ATOM 494 CB PHE A 145 9.984 15.232 3.137 1.00 0.00 C ATOM 495 CG PHE A 145 10.582 15.923 1.935 1.00 0.00 C ATOM 496 CD1 PHE A 145 10.404 17.301 1.758 1.00 0.00 C ATOM 497 CD2 PHE A 145 11.309 15.185 0.995 1.00 0.00 C ATOM 498 CE1 PHE A 145 10.955 17.939 0.641 1.00 0.00 C ATOM 499 CE2 PHE A 145 11.861 15.823 -0.122 1.00 0.00 C ATOM 500 CZ PHE A 145 11.683 17.201 -0.299 1.00 0.00 C ATOM 0 H PHE A 145 9.431 14.066 5.143 1.00 0.00 H new ATOM 0 HA PHE A 145 11.956 14.911 4.022 1.00 0.00 H new ATOM 0 HB2 PHE A 145 9.748 14.196 2.893 1.00 0.00 H new ATOM 0 HB3 PHE A 145 9.048 15.715 3.418 1.00 0.00 H new ATOM 0 HD1 PHE A 145 9.842 17.871 2.483 1.00 0.00 H new ATOM 0 HD2 PHE A 145 11.444 14.122 1.131 1.00 0.00 H new ATOM 0 HE1 PHE A 145 10.818 19.002 0.504 1.00 0.00 H new ATOM 0 HE2 PHE A 145 12.424 15.253 -0.847 1.00 0.00 H new ATOM 0 HZ PHE A 145 12.108 17.694 -1.161 1.00 0.00 H new ATOM 510 N ASP A 146 12.370 17.215 4.757 1.00 0.00 N ATOM 511 CA ASP A 146 12.619 18.612 5.215 1.00 0.00 C ATOM 512 C ASP A 146 13.189 19.454 4.070 1.00 0.00 C ATOM 513 O ASP A 146 13.990 18.979 3.288 1.00 0.00 O ATOM 514 CB ASP A 146 13.639 18.484 6.346 1.00 0.00 C ATOM 515 CG ASP A 146 13.055 17.623 7.467 1.00 0.00 C ATOM 516 OD1 ASP A 146 11.861 17.374 7.435 1.00 0.00 O ATOM 517 OD2 ASP A 146 13.811 17.226 8.339 1.00 0.00 O ATOM 0 H ASP A 146 13.196 16.710 4.435 1.00 0.00 H new ATOM 0 HA ASP A 146 11.705 19.105 5.545 1.00 0.00 H new ATOM 0 HB2 ASP A 146 14.559 18.036 5.971 1.00 0.00 H new ATOM 0 HB3 ASP A 146 13.898 19.471 6.729 1.00 0.00 H new ATOM 522 N PRO A 147 12.755 20.683 4.015 1.00 0.00 N ATOM 523 CA PRO A 147 13.225 21.613 2.961 1.00 0.00 C ATOM 524 C PRO A 147 14.656 22.076 3.253 1.00 0.00 C ATOM 525 O PRO A 147 15.227 22.858 2.519 1.00 0.00 O ATOM 526 CB PRO A 147 12.247 22.780 3.054 1.00 0.00 C ATOM 527 CG PRO A 147 11.729 22.746 4.457 1.00 0.00 C ATOM 528 CD PRO A 147 11.791 21.313 4.923 1.00 0.00 C ATOM 0 HA PRO A 147 13.250 21.160 1.970 1.00 0.00 H new ATOM 0 HB2 PRO A 147 12.742 23.727 2.840 1.00 0.00 H new ATOM 0 HB3 PRO A 147 11.437 22.674 2.332 1.00 0.00 H new ATOM 0 HG2 PRO A 147 12.329 23.387 5.104 1.00 0.00 H new ATOM 0 HG3 PRO A 147 10.706 23.120 4.498 1.00 0.00 H new ATOM 0 HD2 PRO A 147 12.118 21.245 5.961 1.00 0.00 H new ATOM 0 HD3 PRO A 147 10.815 20.832 4.864 1.00 0.00 H new ATOM 536 N MET A 148 15.239 21.603 4.321 1.00 0.00 N ATOM 537 CA MET A 148 16.631 22.020 4.657 1.00 0.00 C ATOM 538 C MET A 148 17.635 21.310 3.744 1.00 0.00 C ATOM 539 O MET A 148 18.817 21.592 3.767 1.00 0.00 O ATOM 540 CB MET A 148 16.832 21.591 6.112 1.00 0.00 C ATOM 541 CG MET A 148 16.990 20.070 6.181 1.00 0.00 C ATOM 542 SD MET A 148 16.232 19.452 7.705 1.00 0.00 S ATOM 543 CE MET A 148 17.675 19.661 8.776 1.00 0.00 C ATOM 0 H MET A 148 14.812 20.947 4.975 1.00 0.00 H new ATOM 0 HA MET A 148 16.784 23.091 4.522 1.00 0.00 H new ATOM 0 HB2 MET A 148 17.715 22.078 6.527 1.00 0.00 H new ATOM 0 HB3 MET A 148 15.981 21.906 6.716 1.00 0.00 H new ATOM 0 HG2 MET A 148 16.520 19.605 5.314 1.00 0.00 H new ATOM 0 HG3 MET A 148 18.046 19.802 6.153 1.00 0.00 H new ATOM 0 HE1 MET A 148 17.637 18.931 9.584 1.00 0.00 H new ATOM 0 HE2 MET A 148 18.585 19.511 8.194 1.00 0.00 H new ATOM 0 HE3 MET A 148 17.674 20.667 9.195 1.00 0.00 H new ATOM 553 N THR A 149 17.175 20.388 2.942 1.00 0.00 N ATOM 554 CA THR A 149 18.108 19.662 2.031 1.00 0.00 C ATOM 555 C THR A 149 17.343 19.078 0.843 1.00 0.00 C ATOM 556 O THR A 149 17.801 19.114 -0.283 1.00 0.00 O ATOM 557 CB THR A 149 18.705 18.544 2.887 1.00 0.00 C ATOM 558 OG1 THR A 149 19.621 17.789 2.107 1.00 0.00 O ATOM 559 CG2 THR A 149 17.586 17.632 3.391 1.00 0.00 C ATOM 0 H THR A 149 16.197 20.106 2.878 1.00 0.00 H new ATOM 0 HA THR A 149 18.876 20.317 1.620 1.00 0.00 H new ATOM 0 HB THR A 149 19.227 18.978 3.740 1.00 0.00 H new ATOM 0 HG1 THR A 149 20.005 17.073 2.655 1.00 0.00 H new ATOM 0 HG21 THR A 149 18.013 16.836 4.001 1.00 0.00 H new ATOM 0 HG22 THR A 149 16.886 18.213 3.991 1.00 0.00 H new ATOM 0 HG23 THR A 149 17.061 17.196 2.541 1.00 0.00 H new ATOM 567 N GLY A 150 16.182 18.541 1.085 1.00 0.00 N ATOM 568 CA GLY A 150 15.383 17.954 -0.027 1.00 0.00 C ATOM 569 C GLY A 150 15.314 16.434 0.133 1.00 0.00 C ATOM 570 O GLY A 150 15.331 15.698 -0.833 1.00 0.00 O ATOM 0 H GLY A 150 15.750 18.482 2.007 1.00 0.00 H new ATOM 0 HA2 GLY A 150 14.378 18.375 -0.027 1.00 0.00 H new ATOM 0 HA3 GLY A 150 15.835 18.208 -0.986 1.00 0.00 H new ATOM 574 N THR A 151 15.236 15.958 1.345 1.00 0.00 N ATOM 575 CA THR A 151 15.165 14.484 1.563 1.00 0.00 C ATOM 576 C THR A 151 14.442 14.178 2.877 1.00 0.00 C ATOM 577 O THR A 151 14.136 15.065 3.649 1.00 0.00 O ATOM 578 CB THR A 151 16.621 14.021 1.632 1.00 0.00 C ATOM 579 OG1 THR A 151 17.450 15.119 1.987 1.00 0.00 O ATOM 580 CG2 THR A 151 17.049 13.473 0.270 1.00 0.00 C ATOM 0 H THR A 151 15.218 16.524 2.193 1.00 0.00 H new ATOM 0 HA THR A 151 14.614 13.977 0.771 1.00 0.00 H new ATOM 0 HB THR A 151 16.718 13.236 2.382 1.00 0.00 H new ATOM 0 HG1 THR A 151 18.383 14.823 2.033 1.00 0.00 H new ATOM 0 HG21 THR A 151 18.087 13.143 0.320 1.00 0.00 H new ATOM 0 HG22 THR A 151 16.413 12.630 0.001 1.00 0.00 H new ATOM 0 HG23 THR A 151 16.953 14.255 -0.483 1.00 0.00 H new ATOM 588 N PHE A 152 14.170 12.930 3.137 1.00 0.00 N ATOM 589 CA PHE A 152 13.469 12.571 4.402 1.00 0.00 C ATOM 590 C PHE A 152 14.493 12.274 5.499 1.00 0.00 C ATOM 591 O PHE A 152 15.424 11.518 5.303 1.00 0.00 O ATOM 592 CB PHE A 152 12.662 11.313 4.070 1.00 0.00 C ATOM 593 CG PHE A 152 11.965 11.490 2.742 1.00 0.00 C ATOM 594 CD1 PHE A 152 10.687 12.057 2.693 1.00 0.00 C ATOM 595 CD2 PHE A 152 12.599 11.088 1.560 1.00 0.00 C ATOM 596 CE1 PHE A 152 10.040 12.221 1.461 1.00 0.00 C ATOM 597 CE2 PHE A 152 11.953 11.252 0.329 1.00 0.00 C ATOM 598 CZ PHE A 152 10.674 11.818 0.280 1.00 0.00 C ATOM 0 H PHE A 152 14.402 12.144 2.530 1.00 0.00 H new ATOM 0 HA PHE A 152 12.831 13.377 4.765 1.00 0.00 H new ATOM 0 HB2 PHE A 152 13.321 10.446 4.033 1.00 0.00 H new ATOM 0 HB3 PHE A 152 11.929 11.122 4.854 1.00 0.00 H new ATOM 0 HD1 PHE A 152 10.199 12.368 3.605 1.00 0.00 H new ATOM 0 HD2 PHE A 152 13.586 10.652 1.598 1.00 0.00 H new ATOM 0 HE1 PHE A 152 9.053 12.658 1.423 1.00 0.00 H new ATOM 0 HE2 PHE A 152 12.442 10.942 -0.583 1.00 0.00 H new ATOM 0 HZ PHE A 152 10.176 11.944 -0.670 1.00 0.00 H new ATOM 608 N ARG A 153 14.331 12.859 6.652 1.00 0.00 N ATOM 609 CA ARG A 153 15.301 12.598 7.755 1.00 0.00 C ATOM 610 C ARG A 153 14.685 11.647 8.782 1.00 0.00 C ATOM 611 O ARG A 153 13.518 11.738 9.107 1.00 0.00 O ATOM 612 CB ARG A 153 15.577 13.963 8.387 1.00 0.00 C ATOM 613 CG ARG A 153 16.757 14.627 7.673 1.00 0.00 C ATOM 614 CD ARG A 153 16.868 16.088 8.117 1.00 0.00 C ATOM 615 NE ARG A 153 18.206 16.194 8.761 1.00 0.00 N ATOM 616 CZ ARG A 153 19.289 16.041 8.048 1.00 0.00 C ATOM 617 NH1 ARG A 153 19.623 16.945 7.167 1.00 0.00 N ATOM 618 NH2 ARG A 153 20.037 14.986 8.216 1.00 0.00 N ATOM 0 H ARG A 153 13.574 13.503 6.879 1.00 0.00 H new ATOM 0 HA ARG A 153 16.216 12.130 7.393 1.00 0.00 H new ATOM 0 HB2 ARG A 153 14.692 14.595 8.314 1.00 0.00 H new ATOM 0 HB3 ARG A 153 15.799 13.846 9.448 1.00 0.00 H new ATOM 0 HG2 ARG A 153 17.680 14.095 7.903 1.00 0.00 H new ATOM 0 HG3 ARG A 153 16.619 14.574 6.593 1.00 0.00 H new ATOM 0 HD2 ARG A 153 16.784 16.766 7.268 1.00 0.00 H new ATOM 0 HD3 ARG A 153 16.072 16.350 8.814 1.00 0.00 H new ATOM 0 HE ARG A 153 18.277 16.386 9.760 1.00 0.00 H new ATOM 0 HH11 ARG A 153 19.038 17.770 7.036 1.00 0.00 H new ATOM 0 HH12 ARG A 153 20.469 16.826 6.610 1.00 0.00 H new ATOM 0 HH21 ARG A 153 19.776 14.280 8.905 1.00 0.00 H new ATOM 0 HH22 ARG A 153 20.883 14.867 7.659 1.00 0.00 H new ATOM 632 N CYS A 154 15.464 10.737 9.293 1.00 0.00 N ATOM 633 CA CYS A 154 14.936 9.778 10.304 1.00 0.00 C ATOM 634 C CYS A 154 14.095 10.521 11.347 1.00 0.00 C ATOM 635 O CYS A 154 14.054 11.735 11.371 1.00 0.00 O ATOM 636 CB CYS A 154 16.184 9.181 10.945 1.00 0.00 C ATOM 637 SG CYS A 154 15.762 7.673 11.841 1.00 0.00 S ATOM 0 H CYS A 154 16.448 10.615 9.054 1.00 0.00 H new ATOM 0 HA CYS A 154 14.291 9.016 9.867 1.00 0.00 H new ATOM 0 HB2 CYS A 154 16.926 8.961 10.178 1.00 0.00 H new ATOM 0 HB3 CYS A 154 16.633 9.904 11.626 1.00 0.00 H new ATOM 0 HG CYS A 154 15.001 7.968 12.853 1.00 0.00 H new ATOM 642 N THR A 155 13.426 9.806 12.211 1.00 0.00 N ATOM 643 CA THR A 155 12.591 10.483 13.246 1.00 0.00 C ATOM 644 C THR A 155 13.100 10.150 14.652 1.00 0.00 C ATOM 645 O THR A 155 12.755 10.805 15.615 1.00 0.00 O ATOM 646 CB THR A 155 11.174 9.935 13.047 1.00 0.00 C ATOM 647 OG1 THR A 155 11.167 8.995 11.982 1.00 0.00 O ATOM 648 CG2 THR A 155 10.222 11.086 12.719 1.00 0.00 C ATOM 0 H THR A 155 13.421 8.787 12.246 1.00 0.00 H new ATOM 0 HA THR A 155 12.626 11.568 13.147 1.00 0.00 H new ATOM 0 HB THR A 155 10.848 9.443 13.963 1.00 0.00 H new ATOM 0 HG1 THR A 155 10.259 8.646 11.859 1.00 0.00 H new ATOM 0 HG21 THR A 155 9.214 10.696 12.578 1.00 0.00 H new ATOM 0 HG22 THR A 155 10.221 11.803 13.540 1.00 0.00 H new ATOM 0 HG23 THR A 155 10.551 11.581 11.805 1.00 0.00 H new ATOM 656 N PHE A 156 13.921 9.141 14.782 1.00 0.00 N ATOM 657 CA PHE A 156 14.445 8.785 16.133 1.00 0.00 C ATOM 658 C PHE A 156 15.953 9.029 16.193 1.00 0.00 C ATOM 659 O PHE A 156 16.480 9.461 17.199 1.00 0.00 O ATOM 660 CB PHE A 156 14.130 7.297 16.373 1.00 0.00 C ATOM 661 CG PHE A 156 13.516 6.653 15.149 1.00 0.00 C ATOM 662 CD1 PHE A 156 14.317 6.334 14.050 1.00 0.00 C ATOM 663 CD2 PHE A 156 12.143 6.380 15.117 1.00 0.00 C ATOM 664 CE1 PHE A 156 13.749 5.744 12.917 1.00 0.00 C ATOM 665 CE2 PHE A 156 11.573 5.789 13.984 1.00 0.00 C ATOM 666 CZ PHE A 156 12.376 5.472 12.883 1.00 0.00 C ATOM 0 H PHE A 156 14.249 8.552 14.017 1.00 0.00 H new ATOM 0 HA PHE A 156 13.979 9.400 16.902 1.00 0.00 H new ATOM 0 HB2 PHE A 156 15.045 6.770 16.642 1.00 0.00 H new ATOM 0 HB3 PHE A 156 13.447 7.201 17.217 1.00 0.00 H new ATOM 0 HD1 PHE A 156 15.376 6.543 14.076 1.00 0.00 H new ATOM 0 HD2 PHE A 156 11.524 6.626 15.967 1.00 0.00 H new ATOM 0 HE1 PHE A 156 14.369 5.498 12.068 1.00 0.00 H new ATOM 0 HE2 PHE A 156 10.514 5.578 13.959 1.00 0.00 H new ATOM 0 HZ PHE A 156 11.937 5.018 12.007 1.00 0.00 H new ATOM 676 N CYS A 157 16.651 8.769 15.124 1.00 0.00 N ATOM 677 CA CYS A 157 18.122 9.004 15.129 1.00 0.00 C ATOM 678 C CYS A 157 18.478 10.076 14.079 1.00 0.00 C ATOM 679 O CYS A 157 19.620 10.252 13.702 1.00 0.00 O ATOM 680 CB CYS A 157 18.741 7.619 14.847 1.00 0.00 C ATOM 681 SG CYS A 157 19.290 7.459 13.130 1.00 0.00 S ATOM 0 H CYS A 157 16.270 8.406 14.251 1.00 0.00 H new ATOM 0 HA CYS A 157 18.508 9.395 16.070 1.00 0.00 H new ATOM 0 HB2 CYS A 157 19.587 7.457 15.515 1.00 0.00 H new ATOM 0 HB3 CYS A 157 18.008 6.843 15.067 1.00 0.00 H new ATOM 0 HG CYS A 157 19.852 8.567 12.749 1.00 0.00 H new ATOM 686 N HIS A 158 17.485 10.811 13.642 1.00 0.00 N ATOM 687 CA HIS A 158 17.694 11.914 12.648 1.00 0.00 C ATOM 688 C HIS A 158 18.775 11.593 11.608 1.00 0.00 C ATOM 689 O HIS A 158 19.451 12.479 11.124 1.00 0.00 O ATOM 690 CB HIS A 158 18.113 13.116 13.493 1.00 0.00 C ATOM 691 CG HIS A 158 16.896 13.713 14.145 1.00 0.00 C ATOM 692 ND1 HIS A 158 16.196 14.767 13.579 1.00 0.00 N ATOM 693 CD2 HIS A 158 16.240 13.412 15.312 1.00 0.00 C ATOM 694 CE1 HIS A 158 15.169 15.059 14.399 1.00 0.00 C ATOM 695 NE2 HIS A 158 15.151 14.263 15.472 1.00 0.00 N ATOM 0 H HIS A 158 16.516 10.691 13.938 1.00 0.00 H new ATOM 0 HA HIS A 158 16.788 12.085 12.067 1.00 0.00 H new ATOM 0 HB2 HIS A 158 18.833 12.809 14.252 1.00 0.00 H new ATOM 0 HB3 HIS A 158 18.607 13.860 12.868 1.00 0.00 H new ATOM 0 HD2 HIS A 158 16.526 12.632 16.002 1.00 0.00 H new ATOM 0 HE1 HIS A 158 14.448 15.841 14.212 1.00 0.00 H new ATOM 0 HE2 HIS A 158 14.483 14.276 16.243 1.00 0.00 H new ATOM 703 N THR A 159 18.939 10.357 11.232 1.00 0.00 N ATOM 704 CA THR A 159 19.965 10.039 10.199 1.00 0.00 C ATOM 705 C THR A 159 19.324 10.071 8.808 1.00 0.00 C ATOM 706 O THR A 159 18.264 9.519 8.593 1.00 0.00 O ATOM 707 CB THR A 159 20.449 8.627 10.525 1.00 0.00 C ATOM 708 OG1 THR A 159 21.281 8.666 11.676 1.00 0.00 O ATOM 709 CG2 THR A 159 21.237 8.069 9.337 1.00 0.00 C ATOM 0 H THR A 159 18.414 9.559 11.590 1.00 0.00 H new ATOM 0 HA THR A 159 20.786 10.756 10.201 1.00 0.00 H new ATOM 0 HB THR A 159 19.591 7.984 10.721 1.00 0.00 H new ATOM 0 HG1 THR A 159 21.088 7.892 12.245 1.00 0.00 H new ATOM 0 HG21 THR A 159 21.582 7.062 9.570 1.00 0.00 H new ATOM 0 HG22 THR A 159 20.595 8.038 8.457 1.00 0.00 H new ATOM 0 HG23 THR A 159 22.096 8.710 9.137 1.00 0.00 H new ATOM 717 N GLU A 160 19.958 10.705 7.860 1.00 0.00 N ATOM 718 CA GLU A 160 19.375 10.756 6.488 1.00 0.00 C ATOM 719 C GLU A 160 18.921 9.357 6.062 1.00 0.00 C ATOM 720 O GLU A 160 19.638 8.388 6.218 1.00 0.00 O ATOM 721 CB GLU A 160 20.510 11.249 5.590 1.00 0.00 C ATOM 722 CG GLU A 160 20.099 11.107 4.124 1.00 0.00 C ATOM 723 CD GLU A 160 20.955 12.033 3.259 1.00 0.00 C ATOM 724 OE1 GLU A 160 22.017 12.423 3.714 1.00 0.00 O ATOM 725 OE2 GLU A 160 20.535 12.335 2.154 1.00 0.00 O ATOM 0 H GLU A 160 20.849 11.188 7.974 1.00 0.00 H new ATOM 0 HA GLU A 160 18.503 11.408 6.431 1.00 0.00 H new ATOM 0 HB2 GLU A 160 20.740 12.290 5.815 1.00 0.00 H new ATOM 0 HB3 GLU A 160 21.416 10.674 5.782 1.00 0.00 H new ATOM 0 HG2 GLU A 160 20.222 10.074 3.800 1.00 0.00 H new ATOM 0 HG3 GLU A 160 19.044 11.355 4.006 1.00 0.00 H new ATOM 732 N VAL A 161 17.734 9.242 5.532 1.00 0.00 N ATOM 733 CA VAL A 161 17.236 7.901 5.106 1.00 0.00 C ATOM 734 C VAL A 161 17.374 7.735 3.590 1.00 0.00 C ATOM 735 O VAL A 161 17.581 8.690 2.867 1.00 0.00 O ATOM 736 CB VAL A 161 15.764 7.880 5.516 1.00 0.00 C ATOM 737 CG1 VAL A 161 15.653 8.044 7.033 1.00 0.00 C ATOM 738 CG2 VAL A 161 15.027 9.029 4.826 1.00 0.00 C ATOM 0 H VAL A 161 17.088 10.016 5.375 1.00 0.00 H new ATOM 0 HA VAL A 161 17.801 7.088 5.563 1.00 0.00 H new ATOM 0 HB VAL A 161 15.319 6.930 5.220 1.00 0.00 H new ATOM 0 HG11 VAL A 161 14.603 8.029 7.325 1.00 0.00 H new ATOM 0 HG12 VAL A 161 16.179 7.227 7.527 1.00 0.00 H new ATOM 0 HG13 VAL A 161 16.098 8.994 7.330 1.00 0.00 H new ATOM 0 HG21 VAL A 161 13.977 9.015 5.118 1.00 0.00 H new ATOM 0 HG22 VAL A 161 15.473 9.978 5.123 1.00 0.00 H new ATOM 0 HG23 VAL A 161 15.105 8.914 3.745 1.00 0.00 H new ATOM 748 N GLU A 162 17.257 6.528 3.106 1.00 0.00 N ATOM 749 CA GLU A 162 17.378 6.296 1.638 1.00 0.00 C ATOM 750 C GLU A 162 16.235 5.402 1.150 1.00 0.00 C ATOM 751 O GLU A 162 15.937 4.383 1.740 1.00 0.00 O ATOM 752 CB GLU A 162 18.722 5.589 1.458 1.00 0.00 C ATOM 753 CG GLU A 162 19.828 6.424 2.106 1.00 0.00 C ATOM 754 CD GLU A 162 20.937 6.684 1.085 1.00 0.00 C ATOM 755 OE1 GLU A 162 21.642 5.746 0.753 1.00 0.00 O ATOM 756 OE2 GLU A 162 21.063 7.819 0.655 1.00 0.00 O ATOM 0 H GLU A 162 17.083 5.692 3.664 1.00 0.00 H new ATOM 0 HA GLU A 162 17.325 7.223 1.067 1.00 0.00 H new ATOM 0 HB2 GLU A 162 18.687 4.598 1.911 1.00 0.00 H new ATOM 0 HB3 GLU A 162 18.932 5.448 0.398 1.00 0.00 H new ATOM 0 HG2 GLU A 162 19.421 7.369 2.465 1.00 0.00 H new ATOM 0 HG3 GLU A 162 20.232 5.901 2.973 1.00 0.00 H new ATOM 763 N GLU A 163 15.592 5.775 0.077 1.00 0.00 N ATOM 764 CA GLU A 163 14.471 4.944 -0.443 1.00 0.00 C ATOM 765 C GLU A 163 14.870 3.466 -0.446 1.00 0.00 C ATOM 766 O GLU A 163 15.778 3.059 -1.145 1.00 0.00 O ATOM 767 CB GLU A 163 14.233 5.441 -1.869 1.00 0.00 C ATOM 768 CG GLU A 163 12.730 5.593 -2.111 1.00 0.00 C ATOM 769 CD GLU A 163 12.144 4.249 -2.546 1.00 0.00 C ATOM 770 OE1 GLU A 163 12.522 3.244 -1.967 1.00 0.00 O ATOM 771 OE2 GLU A 163 11.327 4.247 -3.452 1.00 0.00 O ATOM 0 H GLU A 163 15.795 6.618 -0.461 1.00 0.00 H new ATOM 0 HA GLU A 163 13.574 5.030 0.170 1.00 0.00 H new ATOM 0 HB2 GLU A 163 14.735 6.396 -2.021 1.00 0.00 H new ATOM 0 HB3 GLU A 163 14.659 4.739 -2.586 1.00 0.00 H new ATOM 0 HG2 GLU A 163 12.238 5.939 -1.202 1.00 0.00 H new ATOM 0 HG3 GLU A 163 12.549 6.346 -2.878 1.00 0.00 H new ATOM 778 N ASP A 164 14.202 2.662 0.333 1.00 0.00 N ATOM 779 CA ASP A 164 14.545 1.212 0.379 1.00 0.00 C ATOM 780 C ASP A 164 13.854 0.464 -0.762 1.00 0.00 C ATOM 781 O ASP A 164 12.670 0.199 -0.716 1.00 0.00 O ATOM 782 CB ASP A 164 14.018 0.724 1.728 1.00 0.00 C ATOM 783 CG ASP A 164 14.257 -0.781 1.856 1.00 0.00 C ATOM 784 OD1 ASP A 164 13.906 -1.497 0.932 1.00 0.00 O ATOM 785 OD2 ASP A 164 14.789 -1.193 2.874 1.00 0.00 O ATOM 0 H ASP A 164 13.433 2.946 0.940 1.00 0.00 H new ATOM 0 HA ASP A 164 15.616 1.041 0.269 1.00 0.00 H new ATOM 0 HB2 ASP A 164 14.519 1.253 2.539 1.00 0.00 H new ATOM 0 HB3 ASP A 164 12.954 0.942 1.815 1.00 0.00 H new