USER MOD reduce.3.24.130724 H: found=0, std=0, add=287, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 284 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 421 CYS SG : rot 174:sc= -2.69 USER MOD Set 1.2: A 427 CYS SG : rot 170:sc= -3.2 USER MOD Set 1.3: A 434 HIS : no HE2:sc= -0.0127 K(o=-6.4,f=-11) USER MOD Set 1.4: A 440 HIS : no HE2:sc= -0.529 K(o=-6.4,f=-13) USER MOD Single : A 423 TYR OH : rot 180:sc= 0 USER MOD Single : A 426 SER OG : rot 180:sc= -0.0164 USER MOD Single : A 428 TYR OH : rot 180:sc= 0 USER MOD Single : A 430 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 431 ASN : amide:sc= 0 K(o=0,f=-0.82) USER MOD Single : A 433 GLN : amide:sc= -2.86! C(o=-2.9!,f=-3.4!) USER MOD Single : A 435 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 438 TYR OH : rot 180:sc= 0 USER MOD Single : A 441 ASN : amide:sc= -0.0258 X(o=-0.026,f=0) USER MOD Single : A 442 THR OG1 : rot 180:sc= 0.105 USER MOD Single : A 447 ASN : amide:sc= -0.037 X(o=-0.037,f=0) USER MOD ----------------------------------------------------------------- ATOM 148 N ASP A 416 -2.382 -9.158 -8.564 1.00 0.00 N ATOM 149 CA ASP A 416 -2.046 -10.624 -8.598 1.00 0.00 C ATOM 150 C ASP A 416 -0.594 -10.881 -8.135 1.00 0.00 C ATOM 151 O ASP A 416 -0.280 -11.956 -7.661 1.00 0.00 O ATOM 152 CB ASP A 416 -2.227 -11.057 -10.058 1.00 0.00 C ATOM 153 CG ASP A 416 -2.976 -12.391 -10.114 1.00 0.00 C ATOM 154 OD1 ASP A 416 -2.387 -13.397 -9.751 1.00 0.00 O ATOM 155 OD2 ASP A 416 -4.127 -12.384 -10.519 1.00 0.00 O ATOM 0 HA ASP A 416 -2.688 -11.189 -7.922 1.00 0.00 H new ATOM 0 HB2 ASP A 416 -2.781 -10.295 -10.607 1.00 0.00 H new ATOM 0 HB3 ASP A 416 -1.255 -11.155 -10.541 1.00 0.00 H new ATOM 160 N ASP A 417 0.290 -9.909 -8.251 1.00 0.00 N ATOM 161 CA ASP A 417 1.695 -10.110 -7.800 1.00 0.00 C ATOM 162 C ASP A 417 2.026 -9.035 -6.757 1.00 0.00 C ATOM 163 O ASP A 417 2.894 -8.210 -6.963 1.00 0.00 O ATOM 164 CB ASP A 417 2.552 -9.945 -9.058 1.00 0.00 C ATOM 165 CG ASP A 417 2.752 -11.313 -9.713 1.00 0.00 C ATOM 166 OD1 ASP A 417 1.768 -11.891 -10.141 1.00 0.00 O ATOM 167 OD2 ASP A 417 3.886 -11.762 -9.770 1.00 0.00 O ATOM 0 H ASP A 417 0.090 -8.988 -8.640 1.00 0.00 H new ATOM 0 HA ASP A 417 1.868 -11.084 -7.341 1.00 0.00 H new ATOM 0 HB2 ASP A 417 2.068 -9.262 -9.756 1.00 0.00 H new ATOM 0 HB3 ASP A 417 3.516 -9.507 -8.801 1.00 0.00 H new ATOM 172 N ARG A 418 1.325 -9.034 -5.642 1.00 0.00 N ATOM 173 CA ARG A 418 1.591 -8.000 -4.597 1.00 0.00 C ATOM 174 C ARG A 418 1.905 -8.654 -3.234 1.00 0.00 C ATOM 175 O ARG A 418 1.263 -9.612 -2.855 1.00 0.00 O ATOM 176 CB ARG A 418 0.304 -7.186 -4.533 1.00 0.00 C ATOM 177 CG ARG A 418 0.090 -6.482 -5.875 1.00 0.00 C ATOM 178 CD ARG A 418 0.926 -5.201 -5.921 1.00 0.00 C ATOM 179 NE ARG A 418 2.184 -5.580 -6.640 1.00 0.00 N ATOM 180 CZ ARG A 418 2.204 -5.754 -7.953 1.00 0.00 C ATOM 181 NH1 ARG A 418 1.118 -5.629 -8.680 1.00 0.00 N ATOM 182 NH2 ARG A 418 3.327 -6.074 -8.543 1.00 0.00 N ATOM 0 H ARG A 418 0.587 -9.701 -5.416 1.00 0.00 H new ATOM 0 HA ARG A 418 2.458 -7.384 -4.835 1.00 0.00 H new ATOM 0 HB2 ARG A 418 -0.542 -7.837 -4.310 1.00 0.00 H new ATOM 0 HB3 ARG A 418 0.362 -6.453 -3.729 1.00 0.00 H new ATOM 0 HG2 ARG A 418 0.374 -7.143 -6.694 1.00 0.00 H new ATOM 0 HG3 ARG A 418 -0.965 -6.245 -6.009 1.00 0.00 H new ATOM 0 HD2 ARG A 418 0.398 -4.404 -6.445 1.00 0.00 H new ATOM 0 HD3 ARG A 418 1.141 -4.835 -4.917 1.00 0.00 H new ATOM 0 HE ARG A 418 3.044 -5.707 -6.107 1.00 0.00 H new ATOM 0 HH11 ARG A 418 0.231 -5.392 -8.235 1.00 0.00 H new ATOM 0 HH12 ARG A 418 1.161 -5.768 -9.690 1.00 0.00 H new ATOM 0 HH21 ARG A 418 4.178 -6.188 -7.992 1.00 0.00 H new ATOM 0 HH22 ARG A 418 3.351 -6.210 -9.554 1.00 0.00 H new ATOM 196 N PRO A 419 2.896 -8.118 -2.539 1.00 0.00 N ATOM 197 CA PRO A 419 3.288 -8.682 -1.222 1.00 0.00 C ATOM 198 C PRO A 419 2.256 -8.377 -0.109 1.00 0.00 C ATOM 199 O PRO A 419 1.429 -9.215 0.182 1.00 0.00 O ATOM 200 CB PRO A 419 4.650 -8.045 -0.943 1.00 0.00 C ATOM 201 CG PRO A 419 4.674 -6.781 -1.744 1.00 0.00 C ATOM 202 CD PRO A 419 3.736 -6.968 -2.909 1.00 0.00 C ATOM 0 HA PRO A 419 3.332 -9.771 -1.238 1.00 0.00 H new ATOM 0 HB2 PRO A 419 4.776 -7.838 0.120 1.00 0.00 H new ATOM 0 HB3 PRO A 419 5.462 -8.711 -1.236 1.00 0.00 H new ATOM 0 HG2 PRO A 419 4.363 -5.933 -1.133 1.00 0.00 H new ATOM 0 HG3 PRO A 419 5.684 -6.568 -2.095 1.00 0.00 H new ATOM 0 HD2 PRO A 419 3.133 -6.076 -3.077 1.00 0.00 H new ATOM 0 HD3 PRO A 419 4.285 -7.160 -3.831 1.00 0.00 H new ATOM 210 N GLU A 420 2.281 -7.203 0.515 1.00 0.00 N ATOM 211 CA GLU A 420 1.289 -6.862 1.618 1.00 0.00 C ATOM 212 C GLU A 420 1.740 -5.569 2.337 1.00 0.00 C ATOM 213 O GLU A 420 2.629 -5.600 3.167 1.00 0.00 O ATOM 214 CB GLU A 420 1.296 -8.023 2.638 1.00 0.00 C ATOM 215 CG GLU A 420 2.734 -8.362 3.058 1.00 0.00 C ATOM 216 CD GLU A 420 2.935 -9.879 3.045 1.00 0.00 C ATOM 217 OE1 GLU A 420 2.096 -10.571 3.600 1.00 0.00 O ATOM 218 OE2 GLU A 420 3.922 -10.324 2.485 1.00 0.00 O ATOM 0 H GLU A 420 2.950 -6.462 0.306 1.00 0.00 H new ATOM 0 HA GLU A 420 0.294 -6.716 1.198 1.00 0.00 H new ATOM 0 HB2 GLU A 420 0.710 -7.748 3.515 1.00 0.00 H new ATOM 0 HB3 GLU A 420 0.822 -8.902 2.201 1.00 0.00 H new ATOM 0 HG2 GLU A 420 3.442 -7.886 2.379 1.00 0.00 H new ATOM 0 HG3 GLU A 420 2.934 -7.968 4.055 1.00 0.00 H new ATOM 225 N CYS A 421 1.149 -4.437 2.016 1.00 0.00 N ATOM 226 CA CYS A 421 1.566 -3.143 2.679 1.00 0.00 C ATOM 227 C CYS A 421 1.533 -3.269 4.219 1.00 0.00 C ATOM 228 O CYS A 421 0.643 -3.895 4.761 1.00 0.00 O ATOM 229 CB CYS A 421 0.530 -2.093 2.213 1.00 0.00 C ATOM 230 SG CYS A 421 0.762 -0.523 3.086 1.00 0.00 S ATOM 0 H CYS A 421 0.400 -4.348 1.329 1.00 0.00 H new ATOM 0 HA CYS A 421 2.586 -2.871 2.408 1.00 0.00 H new ATOM 0 HB2 CYS A 421 0.626 -1.934 1.139 1.00 0.00 H new ATOM 0 HB3 CYS A 421 -0.478 -2.467 2.391 1.00 0.00 H new ATOM 0 HG CYS A 421 -0.041 0.372 2.591 1.00 0.00 H new ATOM 235 N PRO A 422 2.483 -2.629 4.883 1.00 0.00 N ATOM 236 CA PRO A 422 2.498 -2.651 6.364 1.00 0.00 C ATOM 237 C PRO A 422 1.352 -1.771 6.908 1.00 0.00 C ATOM 238 O PRO A 422 0.627 -2.188 7.790 1.00 0.00 O ATOM 239 CB PRO A 422 3.867 -2.088 6.727 1.00 0.00 C ATOM 240 CG PRO A 422 4.272 -1.254 5.555 1.00 0.00 C ATOM 241 CD PRO A 422 3.617 -1.857 4.338 1.00 0.00 C ATOM 0 HA PRO A 422 2.346 -3.643 6.790 1.00 0.00 H new ATOM 0 HB2 PRO A 422 3.818 -1.490 7.637 1.00 0.00 H new ATOM 0 HB3 PRO A 422 4.586 -2.887 6.909 1.00 0.00 H new ATOM 0 HG2 PRO A 422 3.956 -0.220 5.690 1.00 0.00 H new ATOM 0 HG3 PRO A 422 5.356 -1.245 5.445 1.00 0.00 H new ATOM 0 HD2 PRO A 422 3.278 -1.087 3.645 1.00 0.00 H new ATOM 0 HD3 PRO A 422 4.308 -2.497 3.790 1.00 0.00 H new ATOM 249 N TYR A 423 1.179 -0.552 6.392 1.00 0.00 N ATOM 250 CA TYR A 423 0.057 0.343 6.896 1.00 0.00 C ATOM 251 C TYR A 423 -1.275 -0.453 6.999 1.00 0.00 C ATOM 252 O TYR A 423 -2.074 -0.215 7.884 1.00 0.00 O ATOM 253 CB TYR A 423 -0.092 1.499 5.882 1.00 0.00 C ATOM 254 CG TYR A 423 1.154 2.358 5.849 1.00 0.00 C ATOM 255 CD1 TYR A 423 1.416 3.250 6.917 1.00 0.00 C ATOM 256 CD2 TYR A 423 2.056 2.287 4.750 1.00 0.00 C ATOM 257 CE1 TYR A 423 2.571 4.077 6.891 1.00 0.00 C ATOM 258 CE2 TYR A 423 3.217 3.109 4.727 1.00 0.00 C ATOM 259 CZ TYR A 423 3.471 4.009 5.795 1.00 0.00 C ATOM 260 OH TYR A 423 4.597 4.807 5.774 1.00 0.00 O ATOM 0 H TYR A 423 1.757 -0.147 5.656 1.00 0.00 H new ATOM 0 HA TYR A 423 0.290 0.723 7.891 1.00 0.00 H new ATOM 0 HB2 TYR A 423 -0.284 1.093 4.889 1.00 0.00 H new ATOM 0 HB3 TYR A 423 -0.953 2.112 6.148 1.00 0.00 H new ATOM 0 HD1 TYR A 423 0.736 3.302 7.754 1.00 0.00 H new ATOM 0 HD2 TYR A 423 1.859 1.609 3.933 1.00 0.00 H new ATOM 0 HE1 TYR A 423 2.765 4.758 7.706 1.00 0.00 H new ATOM 0 HE2 TYR A 423 3.905 3.048 3.897 1.00 0.00 H new ATOM 0 HH TYR A 423 5.105 4.635 4.954 1.00 0.00 H new ATOM 270 N GLY A 424 -1.495 -1.429 6.129 1.00 0.00 N ATOM 271 CA GLY A 424 -2.738 -2.261 6.214 1.00 0.00 C ATOM 272 C GLY A 424 -3.933 -1.555 5.554 1.00 0.00 C ATOM 273 O GLY A 424 -3.757 -0.765 4.651 1.00 0.00 O ATOM 0 H GLY A 424 -0.863 -1.678 5.368 1.00 0.00 H new ATOM 0 HA2 GLY A 424 -2.568 -3.222 5.729 1.00 0.00 H new ATOM 0 HA3 GLY A 424 -2.968 -2.468 7.259 1.00 0.00 H new ATOM 277 N PRO A 425 -5.123 -1.868 6.029 1.00 0.00 N ATOM 278 CA PRO A 425 -6.352 -1.252 5.459 1.00 0.00 C ATOM 279 C PRO A 425 -6.398 0.251 5.780 1.00 0.00 C ATOM 280 O PRO A 425 -6.858 1.040 4.977 1.00 0.00 O ATOM 281 CB PRO A 425 -7.488 -1.998 6.156 1.00 0.00 C ATOM 282 CG PRO A 425 -6.887 -2.498 7.429 1.00 0.00 C ATOM 283 CD PRO A 425 -5.445 -2.798 7.127 1.00 0.00 C ATOM 0 HA PRO A 425 -6.406 -1.330 4.373 1.00 0.00 H new ATOM 0 HB2 PRO A 425 -8.335 -1.339 6.350 1.00 0.00 H new ATOM 0 HB3 PRO A 425 -7.857 -2.820 5.543 1.00 0.00 H new ATOM 0 HG2 PRO A 425 -6.971 -1.751 8.218 1.00 0.00 H new ATOM 0 HG3 PRO A 425 -7.405 -3.391 7.779 1.00 0.00 H new ATOM 0 HD2 PRO A 425 -4.809 -2.629 7.996 1.00 0.00 H new ATOM 0 HD3 PRO A 425 -5.305 -3.837 6.827 1.00 0.00 H new ATOM 291 N SER A 426 -5.910 0.662 6.936 1.00 0.00 N ATOM 292 CA SER A 426 -5.915 2.118 7.282 1.00 0.00 C ATOM 293 C SER A 426 -4.602 2.740 6.796 1.00 0.00 C ATOM 294 O SER A 426 -3.814 3.243 7.574 1.00 0.00 O ATOM 295 CB SER A 426 -6.034 2.212 8.811 1.00 0.00 C ATOM 296 OG SER A 426 -6.944 3.254 9.146 1.00 0.00 O ATOM 0 H SER A 426 -5.511 0.050 7.648 1.00 0.00 H new ATOM 0 HA SER A 426 -6.741 2.651 6.811 1.00 0.00 H new ATOM 0 HB2 SER A 426 -6.382 1.263 9.220 1.00 0.00 H new ATOM 0 HB3 SER A 426 -5.057 2.410 9.252 1.00 0.00 H new ATOM 0 HG SER A 426 -7.025 3.317 10.121 1.00 0.00 H new ATOM 302 N CYS A 427 -4.378 2.718 5.504 1.00 0.00 N ATOM 303 CA CYS A 427 -3.128 3.327 4.948 1.00 0.00 C ATOM 304 C CYS A 427 -3.350 4.821 4.736 1.00 0.00 C ATOM 305 O CYS A 427 -3.910 5.245 3.743 1.00 0.00 O ATOM 306 CB CYS A 427 -2.819 2.596 3.634 1.00 0.00 C ATOM 307 SG CYS A 427 -1.110 2.931 3.145 1.00 0.00 S ATOM 0 H CYS A 427 -5.004 2.306 4.812 1.00 0.00 H new ATOM 0 HA CYS A 427 -2.281 3.222 5.626 1.00 0.00 H new ATOM 0 HB2 CYS A 427 -2.969 1.524 3.758 1.00 0.00 H new ATOM 0 HB3 CYS A 427 -3.503 2.926 2.852 1.00 0.00 H new ATOM 0 HG CYS A 427 -0.783 2.157 2.153 1.00 0.00 H new ATOM 312 N TYR A 428 -2.914 5.627 5.680 1.00 0.00 N ATOM 313 CA TYR A 428 -3.091 7.123 5.562 1.00 0.00 C ATOM 314 C TYR A 428 -2.081 7.672 4.545 1.00 0.00 C ATOM 315 O TYR A 428 -1.286 8.526 4.862 1.00 0.00 O ATOM 316 CB TYR A 428 -2.875 7.796 6.970 1.00 0.00 C ATOM 317 CG TYR A 428 -3.051 6.828 8.144 1.00 0.00 C ATOM 318 CD1 TYR A 428 -4.347 6.325 8.440 1.00 0.00 C ATOM 319 CD2 TYR A 428 -1.930 6.402 8.929 1.00 0.00 C ATOM 320 CE1 TYR A 428 -4.531 5.411 9.513 1.00 0.00 C ATOM 321 CE2 TYR A 428 -2.121 5.486 9.995 1.00 0.00 C ATOM 322 CZ TYR A 428 -3.419 4.991 10.289 1.00 0.00 C ATOM 323 OH TYR A 428 -3.599 4.100 11.326 1.00 0.00 O ATOM 0 H TYR A 428 -2.442 5.317 6.530 1.00 0.00 H new ATOM 0 HA TYR A 428 -4.101 7.350 5.220 1.00 0.00 H new ATOM 0 HB2 TYR A 428 -1.873 8.224 7.009 1.00 0.00 H new ATOM 0 HB3 TYR A 428 -3.579 8.621 7.081 1.00 0.00 H new ATOM 0 HD1 TYR A 428 -5.194 6.638 7.848 1.00 0.00 H new ATOM 0 HD2 TYR A 428 -0.942 6.778 8.709 1.00 0.00 H new ATOM 0 HE1 TYR A 428 -5.518 5.036 9.738 1.00 0.00 H new ATOM 0 HE2 TYR A 428 -1.276 5.164 10.585 1.00 0.00 H new ATOM 0 HH TYR A 428 -2.736 3.917 11.753 1.00 0.00 H new ATOM 333 N ARG A 429 -2.177 7.257 3.298 1.00 0.00 N ATOM 334 CA ARG A 429 -1.252 7.820 2.268 1.00 0.00 C ATOM 335 C ARG A 429 -1.669 7.443 0.839 1.00 0.00 C ATOM 336 O ARG A 429 -2.523 6.603 0.630 1.00 0.00 O ATOM 337 CB ARG A 429 0.169 7.301 2.597 1.00 0.00 C ATOM 338 CG ARG A 429 0.178 5.805 2.959 1.00 0.00 C ATOM 339 CD ARG A 429 1.491 5.444 3.686 1.00 0.00 C ATOM 340 NE ARG A 429 2.425 4.980 2.613 1.00 0.00 N ATOM 341 CZ ARG A 429 3.248 5.822 1.997 1.00 0.00 C ATOM 342 NH1 ARG A 429 3.244 7.110 2.260 1.00 0.00 N ATOM 343 NH2 ARG A 429 4.080 5.368 1.096 1.00 0.00 N ATOM 0 H ARG A 429 -2.845 6.565 2.958 1.00 0.00 H new ATOM 0 HA ARG A 429 -1.283 8.909 2.301 1.00 0.00 H new ATOM 0 HB2 ARG A 429 0.822 7.469 1.740 1.00 0.00 H new ATOM 0 HB3 ARG A 429 0.579 7.875 3.427 1.00 0.00 H new ATOM 0 HG2 ARG A 429 -0.675 5.572 3.596 1.00 0.00 H new ATOM 0 HG3 ARG A 429 0.076 5.203 2.056 1.00 0.00 H new ATOM 0 HD2 ARG A 429 1.897 6.306 4.215 1.00 0.00 H new ATOM 0 HD3 ARG A 429 1.327 4.663 4.429 1.00 0.00 H new ATOM 0 HE ARG A 429 2.430 3.995 2.348 1.00 0.00 H new ATOM 0 HH11 ARG A 429 2.597 7.487 2.953 1.00 0.00 H new ATOM 0 HH12 ARG A 429 3.888 7.732 1.771 1.00 0.00 H new ATOM 0 HH21 ARG A 429 4.094 4.373 0.870 1.00 0.00 H new ATOM 0 HH22 ARG A 429 4.715 6.008 0.619 1.00 0.00 H new ATOM 357 N LYS A 430 -1.070 8.080 -0.150 1.00 0.00 N ATOM 358 CA LYS A 430 -1.428 7.780 -1.570 1.00 0.00 C ATOM 359 C LYS A 430 -0.226 8.053 -2.496 1.00 0.00 C ATOM 360 O LYS A 430 0.007 9.174 -2.913 1.00 0.00 O ATOM 361 CB LYS A 430 -2.603 8.715 -1.897 1.00 0.00 C ATOM 362 CG LYS A 430 -2.189 10.184 -1.727 1.00 0.00 C ATOM 363 CD LYS A 430 -3.417 11.031 -1.394 1.00 0.00 C ATOM 364 CE LYS A 430 -2.970 12.335 -0.723 1.00 0.00 C ATOM 365 NZ LYS A 430 -3.754 13.403 -1.402 1.00 0.00 N ATOM 0 H LYS A 430 -0.350 8.793 -0.028 1.00 0.00 H new ATOM 0 HA LYS A 430 -1.698 6.734 -1.715 1.00 0.00 H new ATOM 0 HB2 LYS A 430 -2.938 8.542 -2.920 1.00 0.00 H new ATOM 0 HB3 LYS A 430 -3.446 8.491 -1.243 1.00 0.00 H new ATOM 0 HG2 LYS A 430 -1.448 10.273 -0.933 1.00 0.00 H new ATOM 0 HG3 LYS A 430 -1.721 10.548 -2.642 1.00 0.00 H new ATOM 0 HD2 LYS A 430 -3.978 11.250 -2.302 1.00 0.00 H new ATOM 0 HD3 LYS A 430 -4.085 10.479 -0.732 1.00 0.00 H new ATOM 0 HE2 LYS A 430 -3.171 12.317 0.348 1.00 0.00 H new ATOM 0 HE3 LYS A 430 -1.898 12.494 -0.843 1.00 0.00 H new ATOM 0 HZ1 LYS A 430 -3.504 14.328 -0.997 1.00 0.00 H new ATOM 0 HZ2 LYS A 430 -3.537 13.400 -2.419 1.00 0.00 H new ATOM 0 HZ3 LYS A 430 -4.770 13.229 -1.264 1.00 0.00 H new ATOM 379 N ASN A 431 0.543 7.039 -2.824 1.00 0.00 N ATOM 380 CA ASN A 431 1.719 7.252 -3.719 1.00 0.00 C ATOM 381 C ASN A 431 1.519 6.482 -5.030 1.00 0.00 C ATOM 382 O ASN A 431 0.747 5.544 -5.072 1.00 0.00 O ATOM 383 CB ASN A 431 2.915 6.698 -2.939 1.00 0.00 C ATOM 384 CG ASN A 431 3.678 7.852 -2.275 1.00 0.00 C ATOM 385 OD1 ASN A 431 3.086 8.840 -1.891 1.00 0.00 O ATOM 386 ND2 ASN A 431 4.978 7.774 -2.121 1.00 0.00 N ATOM 0 H ASN A 431 0.405 6.078 -2.510 1.00 0.00 H new ATOM 0 HA ASN A 431 1.862 8.300 -3.983 1.00 0.00 H new ATOM 0 HB2 ASN A 431 2.573 5.992 -2.182 1.00 0.00 H new ATOM 0 HB3 ASN A 431 3.577 6.150 -3.610 1.00 0.00 H new ATOM 0 HD21 ASN A 431 5.486 8.541 -1.681 1.00 0.00 H new ATOM 0 HD22 ASN A 431 5.481 6.946 -2.442 1.00 0.00 H new ATOM 393 N PRO A 432 2.217 6.891 -6.066 1.00 0.00 N ATOM 394 CA PRO A 432 2.082 6.199 -7.368 1.00 0.00 C ATOM 395 C PRO A 432 2.696 4.795 -7.287 1.00 0.00 C ATOM 396 O PRO A 432 2.052 3.821 -7.628 1.00 0.00 O ATOM 397 CB PRO A 432 2.838 7.103 -8.344 1.00 0.00 C ATOM 398 CG PRO A 432 3.799 7.881 -7.501 1.00 0.00 C ATOM 399 CD PRO A 432 3.181 8.005 -6.130 1.00 0.00 C ATOM 0 HA PRO A 432 1.048 6.049 -7.677 1.00 0.00 H new ATOM 0 HB2 PRO A 432 3.363 6.516 -9.098 1.00 0.00 H new ATOM 0 HB3 PRO A 432 2.155 7.766 -8.875 1.00 0.00 H new ATOM 0 HG2 PRO A 432 4.762 7.374 -7.446 1.00 0.00 H new ATOM 0 HG3 PRO A 432 3.982 8.865 -7.932 1.00 0.00 H new ATOM 0 HD2 PRO A 432 3.933 7.926 -5.345 1.00 0.00 H new ATOM 0 HD3 PRO A 432 2.686 8.968 -6.002 1.00 0.00 H new ATOM 407 N GLN A 433 3.927 4.674 -6.840 1.00 0.00 N ATOM 408 CA GLN A 433 4.560 3.327 -6.742 1.00 0.00 C ATOM 409 C GLN A 433 4.035 2.551 -5.510 1.00 0.00 C ATOM 410 O GLN A 433 4.198 1.347 -5.433 1.00 0.00 O ATOM 411 CB GLN A 433 6.091 3.556 -6.681 1.00 0.00 C ATOM 412 CG GLN A 433 6.519 4.201 -5.347 1.00 0.00 C ATOM 413 CD GLN A 433 6.551 3.143 -4.244 1.00 0.00 C ATOM 414 OE1 GLN A 433 5.949 3.322 -3.205 1.00 0.00 O ATOM 415 NE2 GLN A 433 7.225 2.039 -4.416 1.00 0.00 N ATOM 0 H GLN A 433 4.515 5.452 -6.541 1.00 0.00 H new ATOM 0 HA GLN A 433 4.308 2.711 -7.605 1.00 0.00 H new ATOM 0 HB2 GLN A 433 6.607 2.604 -6.807 1.00 0.00 H new ATOM 0 HB3 GLN A 433 6.396 4.196 -7.509 1.00 0.00 H new ATOM 0 HG2 GLN A 433 7.503 4.658 -5.453 1.00 0.00 H new ATOM 0 HG3 GLN A 433 5.825 4.997 -5.079 1.00 0.00 H new ATOM 0 HE21 GLN A 433 7.733 1.882 -5.286 1.00 0.00 H new ATOM 0 HE22 GLN A 433 7.244 1.333 -3.680 1.00 0.00 H new ATOM 424 N HIS A 434 3.430 3.214 -4.532 1.00 0.00 N ATOM 425 CA HIS A 434 2.941 2.455 -3.328 1.00 0.00 C ATOM 426 C HIS A 434 1.800 1.500 -3.715 1.00 0.00 C ATOM 427 O HIS A 434 1.825 0.340 -3.346 1.00 0.00 O ATOM 428 CB HIS A 434 2.463 3.484 -2.286 1.00 0.00 C ATOM 429 CG HIS A 434 2.076 2.748 -1.032 1.00 0.00 C ATOM 430 ND1 HIS A 434 2.904 1.787 -0.465 1.00 0.00 N ATOM 431 CD2 HIS A 434 0.932 2.751 -0.270 1.00 0.00 C ATOM 432 CE1 HIS A 434 2.245 1.250 0.576 1.00 0.00 C ATOM 433 NE2 HIS A 434 1.044 1.801 0.731 1.00 0.00 N ATOM 0 H HIS A 434 3.260 4.220 -4.519 1.00 0.00 H new ATOM 0 HA HIS A 434 3.745 1.846 -2.913 1.00 0.00 H new ATOM 0 HB2 HIS A 434 3.254 4.204 -2.074 1.00 0.00 H new ATOM 0 HB3 HIS A 434 1.614 4.048 -2.672 1.00 0.00 H new ATOM 0 HD1 HIS A 434 3.841 1.535 -0.781 1.00 0.00 H new ATOM 0 HD2 HIS A 434 0.079 3.394 -0.428 1.00 0.00 H new ATOM 0 HE1 HIS A 434 2.641 0.469 1.208 1.00 0.00 H new ATOM 441 N LYS A 435 0.797 1.951 -4.452 1.00 0.00 N ATOM 442 CA LYS A 435 -0.325 1.000 -4.834 1.00 0.00 C ATOM 443 C LYS A 435 0.185 -0.126 -5.770 1.00 0.00 C ATOM 444 O LYS A 435 -0.438 -1.166 -5.873 1.00 0.00 O ATOM 445 CB LYS A 435 -1.388 1.839 -5.569 1.00 0.00 C ATOM 446 CG LYS A 435 -2.278 2.570 -4.553 1.00 0.00 C ATOM 447 CD LYS A 435 -2.032 4.082 -4.632 1.00 0.00 C ATOM 448 CE LYS A 435 -2.419 4.598 -6.023 1.00 0.00 C ATOM 449 NZ LYS A 435 -3.177 5.854 -5.773 1.00 0.00 N ATOM 0 H LYS A 435 0.703 2.906 -4.798 1.00 0.00 H new ATOM 0 HA LYS A 435 -0.731 0.522 -3.942 1.00 0.00 H new ATOM 0 HB2 LYS A 435 -0.903 2.561 -6.225 1.00 0.00 H new ATOM 0 HB3 LYS A 435 -1.998 1.194 -6.201 1.00 0.00 H new ATOM 0 HG2 LYS A 435 -3.327 2.353 -4.754 1.00 0.00 H new ATOM 0 HG3 LYS A 435 -2.065 2.211 -3.546 1.00 0.00 H new ATOM 0 HD2 LYS A 435 -2.616 4.595 -3.868 1.00 0.00 H new ATOM 0 HD3 LYS A 435 -0.983 4.300 -4.432 1.00 0.00 H new ATOM 0 HE2 LYS A 435 -1.536 4.785 -6.634 1.00 0.00 H new ATOM 0 HE3 LYS A 435 -3.028 3.870 -6.558 1.00 0.00 H new ATOM 0 HZ1 LYS A 435 -3.476 6.266 -6.680 1.00 0.00 H new ATOM 0 HZ2 LYS A 435 -4.016 5.644 -5.195 1.00 0.00 H new ATOM 0 HZ3 LYS A 435 -2.570 6.531 -5.269 1.00 0.00 H new ATOM 463 N ILE A 436 1.316 0.057 -6.430 1.00 0.00 N ATOM 464 CA ILE A 436 1.839 -1.041 -7.319 1.00 0.00 C ATOM 465 C ILE A 436 2.860 -1.909 -6.551 1.00 0.00 C ATOM 466 O ILE A 436 2.983 -3.088 -6.830 1.00 0.00 O ATOM 467 CB ILE A 436 2.419 -0.404 -8.636 1.00 0.00 C ATOM 468 CG1 ILE A 436 3.446 -1.356 -9.313 1.00 0.00 C ATOM 469 CG2 ILE A 436 3.064 0.966 -8.406 1.00 0.00 C ATOM 470 CD1 ILE A 436 4.842 -1.230 -8.666 1.00 0.00 C ATOM 0 H ILE A 436 1.887 0.901 -6.392 1.00 0.00 H new ATOM 0 HA ILE A 436 1.035 -1.715 -7.614 1.00 0.00 H new ATOM 0 HB ILE A 436 1.565 -0.257 -9.297 1.00 0.00 H new ATOM 0 HG12 ILE A 436 3.098 -2.386 -9.233 1.00 0.00 H new ATOM 0 HG13 ILE A 436 3.514 -1.124 -10.376 1.00 0.00 H new ATOM 0 HG21 ILE A 436 3.445 1.352 -9.352 1.00 0.00 H new ATOM 0 HG22 ILE A 436 2.321 1.655 -8.005 1.00 0.00 H new ATOM 0 HG23 ILE A 436 3.886 0.867 -7.697 1.00 0.00 H new ATOM 0 HD11 ILE A 436 5.536 -1.909 -9.162 1.00 0.00 H new ATOM 0 HD12 ILE A 436 5.200 -0.206 -8.769 1.00 0.00 H new ATOM 0 HD13 ILE A 436 4.777 -1.487 -7.609 1.00 0.00 H new ATOM 482 N GLU A 437 3.595 -1.363 -5.595 1.00 0.00 N ATOM 483 CA GLU A 437 4.593 -2.219 -4.851 1.00 0.00 C ATOM 484 C GLU A 437 3.891 -3.135 -3.831 1.00 0.00 C ATOM 485 O GLU A 437 4.182 -4.313 -3.777 1.00 0.00 O ATOM 486 CB GLU A 437 5.567 -1.268 -4.123 1.00 0.00 C ATOM 487 CG GLU A 437 6.886 -1.183 -4.902 1.00 0.00 C ATOM 488 CD GLU A 437 8.059 -1.159 -3.919 1.00 0.00 C ATOM 489 OE1 GLU A 437 7.944 -0.488 -2.906 1.00 0.00 O ATOM 490 OE2 GLU A 437 9.051 -1.811 -4.196 1.00 0.00 O ATOM 0 H GLU A 437 3.549 -0.387 -5.304 1.00 0.00 H new ATOM 0 HA GLU A 437 5.124 -2.862 -5.553 1.00 0.00 H new ATOM 0 HB2 GLU A 437 5.123 -0.277 -4.032 1.00 0.00 H new ATOM 0 HB3 GLU A 437 5.754 -1.628 -3.111 1.00 0.00 H new ATOM 0 HG2 GLU A 437 6.979 -2.036 -5.575 1.00 0.00 H new ATOM 0 HG3 GLU A 437 6.898 -0.286 -5.521 1.00 0.00 H new ATOM 497 N TYR A 438 2.978 -2.622 -3.019 1.00 0.00 N ATOM 498 CA TYR A 438 2.290 -3.495 -2.024 1.00 0.00 C ATOM 499 C TYR A 438 0.772 -3.486 -2.262 1.00 0.00 C ATOM 500 O TYR A 438 0.266 -2.721 -3.061 1.00 0.00 O ATOM 501 CB TYR A 438 2.590 -2.878 -0.652 1.00 0.00 C ATOM 502 CG TYR A 438 4.080 -2.831 -0.412 1.00 0.00 C ATOM 503 CD1 TYR A 438 4.823 -1.697 -0.831 1.00 0.00 C ATOM 504 CD2 TYR A 438 4.736 -3.914 0.236 1.00 0.00 C ATOM 505 CE1 TYR A 438 6.223 -1.644 -0.604 1.00 0.00 C ATOM 506 CE2 TYR A 438 6.137 -3.860 0.462 1.00 0.00 C ATOM 507 CZ TYR A 438 6.880 -2.725 0.042 1.00 0.00 C ATOM 508 OH TYR A 438 8.241 -2.672 0.262 1.00 0.00 O ATOM 0 H TYR A 438 2.690 -1.644 -3.011 1.00 0.00 H new ATOM 0 HA TYR A 438 2.634 -4.527 -2.099 1.00 0.00 H new ATOM 0 HB2 TYR A 438 2.175 -1.872 -0.600 1.00 0.00 H new ATOM 0 HB3 TYR A 438 2.107 -3.463 0.131 1.00 0.00 H new ATOM 0 HD1 TYR A 438 4.324 -0.875 -1.322 1.00 0.00 H new ATOM 0 HD2 TYR A 438 4.169 -4.776 0.556 1.00 0.00 H new ATOM 0 HE1 TYR A 438 6.789 -0.781 -0.923 1.00 0.00 H new ATOM 0 HE2 TYR A 438 6.637 -4.682 0.953 1.00 0.00 H new ATOM 0 HH TYR A 438 8.531 -3.491 0.715 1.00 0.00 H new ATOM 518 N ARG A 439 0.042 -4.305 -1.542 1.00 0.00 N ATOM 519 CA ARG A 439 -1.446 -4.324 -1.677 1.00 0.00 C ATOM 520 C ARG A 439 -2.044 -4.201 -0.269 1.00 0.00 C ATOM 521 O ARG A 439 -1.340 -4.388 0.708 1.00 0.00 O ATOM 522 CB ARG A 439 -1.802 -5.672 -2.318 1.00 0.00 C ATOM 523 CG ARG A 439 -1.212 -6.822 -1.496 1.00 0.00 C ATOM 524 CD ARG A 439 -1.958 -8.119 -1.828 1.00 0.00 C ATOM 525 NE ARG A 439 -1.639 -9.077 -0.711 1.00 0.00 N ATOM 526 CZ ARG A 439 -1.524 -10.378 -0.931 1.00 0.00 C ATOM 527 NH1 ARG A 439 -1.761 -10.905 -2.111 1.00 0.00 N ATOM 528 NH2 ARG A 439 -1.195 -11.170 0.056 1.00 0.00 N ATOM 0 H ARG A 439 0.418 -4.965 -0.862 1.00 0.00 H new ATOM 0 HA ARG A 439 -1.834 -3.510 -2.289 1.00 0.00 H new ATOM 0 HB2 ARG A 439 -2.885 -5.778 -2.380 1.00 0.00 H new ATOM 0 HB3 ARG A 439 -1.419 -5.710 -3.338 1.00 0.00 H new ATOM 0 HG2 ARG A 439 -0.150 -6.934 -1.716 1.00 0.00 H new ATOM 0 HG3 ARG A 439 -1.296 -6.603 -0.431 1.00 0.00 H new ATOM 0 HD2 ARG A 439 -3.032 -7.945 -1.898 1.00 0.00 H new ATOM 0 HD3 ARG A 439 -1.636 -8.519 -2.789 1.00 0.00 H new ATOM 0 HE ARG A 439 -1.509 -8.717 0.234 1.00 0.00 H new ATOM 0 HH11 ARG A 439 -2.042 -10.308 -2.889 1.00 0.00 H new ATOM 0 HH12 ARG A 439 -1.664 -11.911 -2.249 1.00 0.00 H new ATOM 0 HH21 ARG A 439 -1.029 -10.785 0.986 1.00 0.00 H new ATOM 0 HH22 ARG A 439 -1.104 -12.173 -0.104 1.00 0.00 H new ATOM 542 N HIS A 440 -3.304 -3.850 -0.134 1.00 0.00 N ATOM 543 CA HIS A 440 -3.879 -3.679 1.245 1.00 0.00 C ATOM 544 C HIS A 440 -5.039 -4.649 1.552 1.00 0.00 C ATOM 545 O HIS A 440 -5.640 -4.549 2.607 1.00 0.00 O ATOM 546 CB HIS A 440 -4.399 -2.233 1.271 1.00 0.00 C ATOM 547 CG HIS A 440 -3.276 -1.278 0.957 1.00 0.00 C ATOM 548 ND1 HIS A 440 -2.837 -1.044 -0.342 1.00 0.00 N ATOM 549 CD2 HIS A 440 -2.477 -0.512 1.762 1.00 0.00 C ATOM 550 CE1 HIS A 440 -1.809 -0.176 -0.270 1.00 0.00 C ATOM 551 NE2 HIS A 440 -1.561 0.178 0.991 1.00 0.00 N ATOM 0 H HIS A 440 -3.951 -3.677 -0.904 1.00 0.00 H new ATOM 0 HA HIS A 440 -3.120 -3.892 1.997 1.00 0.00 H new ATOM 0 HB2 HIS A 440 -5.203 -2.113 0.545 1.00 0.00 H new ATOM 0 HB3 HIS A 440 -4.818 -2.006 2.251 1.00 0.00 H new ATOM 0 HD1 HIS A 440 -3.222 -1.454 -1.193 1.00 0.00 H new ATOM 0 HD2 HIS A 440 -2.551 -0.455 2.838 1.00 0.00 H new ATOM 0 HE1 HIS A 440 -1.257 0.186 -1.124 1.00 0.00 H new ATOM 559 N ASN A 441 -5.377 -5.582 0.679 1.00 0.00 N ATOM 560 CA ASN A 441 -6.516 -6.511 1.001 1.00 0.00 C ATOM 561 C ASN A 441 -5.982 -7.900 1.370 1.00 0.00 C ATOM 562 O ASN A 441 -6.342 -8.449 2.394 1.00 0.00 O ATOM 563 CB ASN A 441 -7.388 -6.598 -0.265 1.00 0.00 C ATOM 564 CG ASN A 441 -7.668 -5.194 -0.824 1.00 0.00 C ATOM 565 OD1 ASN A 441 -8.597 -4.536 -0.400 1.00 0.00 O ATOM 566 ND2 ASN A 441 -6.894 -4.704 -1.762 1.00 0.00 N ATOM 0 H ASN A 441 -4.924 -5.737 -0.222 1.00 0.00 H new ATOM 0 HA ASN A 441 -7.091 -6.143 1.850 1.00 0.00 H new ATOM 0 HB2 ASN A 441 -6.885 -7.202 -1.020 1.00 0.00 H new ATOM 0 HB3 ASN A 441 -8.329 -7.097 -0.032 1.00 0.00 H new ATOM 0 HD21 ASN A 441 -7.072 -3.771 -2.135 1.00 0.00 H new ATOM 0 HD22 ASN A 441 -6.114 -5.255 -2.119 1.00 0.00 H new ATOM 573 N THR A 442 -5.136 -8.488 0.541 1.00 0.00 N ATOM 574 CA THR A 442 -4.595 -9.849 0.844 1.00 0.00 C ATOM 575 C THR A 442 -5.755 -10.839 1.011 1.00 0.00 C ATOM 576 O THR A 442 -6.183 -11.118 2.114 1.00 0.00 O ATOM 577 CB THR A 442 -3.793 -9.710 2.142 1.00 0.00 C ATOM 578 OG1 THR A 442 -2.852 -8.655 2.002 1.00 0.00 O ATOM 579 CG2 THR A 442 -3.054 -11.018 2.434 1.00 0.00 C ATOM 0 H THR A 442 -4.802 -8.077 -0.331 1.00 0.00 H new ATOM 0 HA THR A 442 -3.962 -10.228 0.041 1.00 0.00 H new ATOM 0 HB THR A 442 -4.472 -9.489 2.966 1.00 0.00 H new ATOM 0 HG1 THR A 442 -2.338 -8.562 2.832 1.00 0.00 H new ATOM 0 HG21 THR A 442 -2.485 -10.916 3.358 1.00 0.00 H new ATOM 0 HG22 THR A 442 -3.776 -11.828 2.540 1.00 0.00 H new ATOM 0 HG23 THR A 442 -2.375 -11.243 1.612 1.00 0.00 H new ATOM 587 N LEU A 443 -6.263 -11.372 -0.079 1.00 0.00 N ATOM 588 CA LEU A 443 -7.398 -12.345 0.023 1.00 0.00 C ATOM 589 C LEU A 443 -6.935 -13.759 -0.369 1.00 0.00 C ATOM 590 O LEU A 443 -6.013 -13.910 -1.146 1.00 0.00 O ATOM 591 CB LEU A 443 -8.457 -11.839 -0.958 1.00 0.00 C ATOM 592 CG LEU A 443 -9.480 -10.980 -0.212 1.00 0.00 C ATOM 593 CD1 LEU A 443 -8.875 -9.605 0.075 1.00 0.00 C ATOM 594 CD2 LEU A 443 -10.732 -10.814 -1.076 1.00 0.00 C ATOM 0 H LEU A 443 -5.942 -11.176 -1.027 1.00 0.00 H new ATOM 0 HA LEU A 443 -7.784 -12.410 1.040 1.00 0.00 H new ATOM 0 HB2 LEU A 443 -7.985 -11.256 -1.749 1.00 0.00 H new ATOM 0 HB3 LEU A 443 -8.955 -12.682 -1.437 1.00 0.00 H new ATOM 0 HG LEU A 443 -9.747 -11.465 0.727 1.00 0.00 H new ATOM 0 HD11 LEU A 443 -9.602 -8.991 0.607 1.00 0.00 H new ATOM 0 HD12 LEU A 443 -7.981 -9.721 0.688 1.00 0.00 H new ATOM 0 HD13 LEU A 443 -8.610 -9.121 -0.865 1.00 0.00 H new ATOM 0 HD21 LEU A 443 -11.462 -10.202 -0.546 1.00 0.00 H new ATOM 0 HD22 LEU A 443 -10.465 -10.328 -2.014 1.00 0.00 H new ATOM 0 HD23 LEU A 443 -11.163 -11.793 -1.284 1.00 0.00 H new ATOM 606 N PRO A 444 -7.593 -14.760 0.181 1.00 0.00 N ATOM 607 CA PRO A 444 -7.227 -16.164 -0.133 1.00 0.00 C ATOM 608 C PRO A 444 -7.699 -16.539 -1.547 1.00 0.00 C ATOM 609 O PRO A 444 -8.769 -16.144 -1.969 1.00 0.00 O ATOM 610 CB PRO A 444 -7.978 -16.979 0.917 1.00 0.00 C ATOM 611 CG PRO A 444 -9.136 -16.124 1.322 1.00 0.00 C ATOM 612 CD PRO A 444 -8.717 -14.689 1.132 1.00 0.00 C ATOM 0 HA PRO A 444 -6.151 -16.337 -0.112 1.00 0.00 H new ATOM 0 HB2 PRO A 444 -8.316 -17.932 0.509 1.00 0.00 H new ATOM 0 HB3 PRO A 444 -7.339 -17.206 1.770 1.00 0.00 H new ATOM 0 HG2 PRO A 444 -10.013 -16.352 0.717 1.00 0.00 H new ATOM 0 HG3 PRO A 444 -9.408 -16.311 2.361 1.00 0.00 H new ATOM 0 HD2 PRO A 444 -9.534 -14.085 0.738 1.00 0.00 H new ATOM 0 HD3 PRO A 444 -8.412 -14.236 2.075 1.00 0.00 H new ATOM 620 N VAL A 445 -6.913 -17.300 -2.282 1.00 0.00 N ATOM 621 CA VAL A 445 -7.331 -17.693 -3.664 1.00 0.00 C ATOM 622 C VAL A 445 -7.351 -19.219 -3.784 1.00 0.00 C ATOM 623 O VAL A 445 -6.830 -19.783 -4.729 1.00 0.00 O ATOM 624 CB VAL A 445 -6.267 -17.124 -4.597 1.00 0.00 C ATOM 625 CG1 VAL A 445 -6.672 -17.385 -6.056 1.00 0.00 C ATOM 626 CG2 VAL A 445 -6.112 -15.615 -4.370 1.00 0.00 C ATOM 0 H VAL A 445 -6.007 -17.661 -1.983 1.00 0.00 H new ATOM 0 HA VAL A 445 -8.326 -17.320 -3.905 1.00 0.00 H new ATOM 0 HB VAL A 445 -5.315 -17.612 -4.387 1.00 0.00 H new ATOM 0 HG11 VAL A 445 -5.912 -16.978 -6.723 1.00 0.00 H new ATOM 0 HG12 VAL A 445 -6.764 -18.458 -6.222 1.00 0.00 H new ATOM 0 HG13 VAL A 445 -7.628 -16.904 -6.260 1.00 0.00 H new ATOM 0 HG21 VAL A 445 -5.349 -15.222 -5.043 1.00 0.00 H new ATOM 0 HG22 VAL A 445 -7.062 -15.118 -4.568 1.00 0.00 H new ATOM 0 HG23 VAL A 445 -5.815 -15.431 -3.338 1.00 0.00 H new ATOM 636 N ARG A 446 -7.931 -19.897 -2.823 1.00 0.00 N ATOM 637 CA ARG A 446 -7.974 -21.388 -2.862 1.00 0.00 C ATOM 638 C ARG A 446 -6.553 -21.951 -2.996 1.00 0.00 C ATOM 639 O ARG A 446 -6.232 -22.613 -3.965 1.00 0.00 O ATOM 640 CB ARG A 446 -8.833 -21.761 -4.078 1.00 0.00 C ATOM 641 CG ARG A 446 -10.233 -21.166 -3.917 1.00 0.00 C ATOM 642 CD ARG A 446 -10.988 -21.272 -5.244 1.00 0.00 C ATOM 643 NE ARG A 446 -12.428 -21.097 -4.883 1.00 0.00 N ATOM 644 CZ ARG A 446 -12.925 -19.904 -4.596 1.00 0.00 C ATOM 645 NH1 ARG A 446 -12.174 -18.826 -4.615 1.00 0.00 N ATOM 646 NH2 ARG A 446 -14.190 -19.789 -4.284 1.00 0.00 N ATOM 0 H ARG A 446 -8.379 -19.476 -2.009 1.00 0.00 H new ATOM 0 HA ARG A 446 -8.397 -21.805 -1.948 1.00 0.00 H new ATOM 0 HB2 ARG A 446 -8.370 -21.387 -4.991 1.00 0.00 H new ATOM 0 HB3 ARG A 446 -8.896 -22.845 -4.173 1.00 0.00 H new ATOM 0 HG2 ARG A 446 -10.777 -21.695 -3.134 1.00 0.00 H new ATOM 0 HG3 ARG A 446 -10.163 -20.123 -3.608 1.00 0.00 H new ATOM 0 HD2 ARG A 446 -10.661 -20.506 -5.947 1.00 0.00 H new ATOM 0 HD3 ARG A 446 -10.815 -22.237 -5.721 1.00 0.00 H new ATOM 0 HE ARG A 446 -13.040 -21.913 -4.857 1.00 0.00 H new ATOM 0 HH11 ARG A 446 -11.185 -18.898 -4.855 1.00 0.00 H new ATOM 0 HH12 ARG A 446 -12.580 -17.918 -4.390 1.00 0.00 H new ATOM 0 HH21 ARG A 446 -14.787 -20.616 -4.263 1.00 0.00 H new ATOM 0 HH22 ARG A 446 -14.579 -18.873 -4.062 1.00 0.00 H new ATOM 660 N ASN A 447 -5.695 -21.686 -2.031 1.00 0.00 N ATOM 661 CA ASN A 447 -4.301 -22.205 -2.118 1.00 0.00 C ATOM 662 C ASN A 447 -4.083 -23.329 -1.093 1.00 0.00 C ATOM 663 O ASN A 447 -3.321 -23.179 -0.156 1.00 0.00 O ATOM 664 CB ASN A 447 -3.397 -21.006 -1.813 1.00 0.00 C ATOM 665 CG ASN A 447 -2.016 -21.232 -2.443 1.00 0.00 C ATOM 666 OD1 ASN A 447 -1.025 -21.299 -1.742 1.00 0.00 O ATOM 667 ND2 ASN A 447 -1.902 -21.355 -3.743 1.00 0.00 N ATOM 0 H ASN A 447 -5.905 -21.137 -1.197 1.00 0.00 H new ATOM 0 HA ASN A 447 -4.085 -22.629 -3.099 1.00 0.00 H new ATOM 0 HB2 ASN A 447 -3.842 -20.092 -2.206 1.00 0.00 H new ATOM 0 HB3 ASN A 447 -3.300 -20.875 -0.735 1.00 0.00 H new ATOM 0 HD21 ASN A 447 -0.985 -21.506 -4.162 1.00 0.00 H new ATOM 0 HD22 ASN A 447 -2.731 -21.299 -4.335 1.00 0.00 H new ATOM 674 N VAL A 448 -4.739 -24.459 -1.265 1.00 0.00 N ATOM 675 CA VAL A 448 -4.550 -25.590 -0.293 1.00 0.00 C ATOM 676 C VAL A 448 -4.488 -26.956 -1.019 1.00 0.00 C ATOM 677 O VAL A 448 -4.723 -27.989 -0.422 1.00 0.00 O ATOM 678 CB VAL A 448 -5.766 -25.525 0.643 1.00 0.00 C ATOM 679 CG1 VAL A 448 -5.640 -26.597 1.727 1.00 0.00 C ATOM 680 CG2 VAL A 448 -5.833 -24.147 1.309 1.00 0.00 C ATOM 0 H VAL A 448 -5.390 -24.645 -2.028 1.00 0.00 H new ATOM 0 HA VAL A 448 -3.609 -25.496 0.250 1.00 0.00 H new ATOM 0 HB VAL A 448 -6.672 -25.696 0.061 1.00 0.00 H new ATOM 0 HG11 VAL A 448 -6.504 -26.548 2.389 1.00 0.00 H new ATOM 0 HG12 VAL A 448 -5.595 -27.582 1.262 1.00 0.00 H new ATOM 0 HG13 VAL A 448 -4.731 -26.426 2.304 1.00 0.00 H new ATOM 0 HG21 VAL A 448 -6.697 -24.105 1.972 1.00 0.00 H new ATOM 0 HG22 VAL A 448 -4.924 -23.977 1.886 1.00 0.00 H new ATOM 0 HG23 VAL A 448 -5.926 -23.377 0.543 1.00 0.00 H new ATOM 690 N LEU A 449 -4.157 -26.974 -2.296 1.00 0.00 N ATOM 691 CA LEU A 449 -4.065 -28.273 -3.057 1.00 0.00 C ATOM 692 C LEU A 449 -3.588 -28.002 -4.498 1.00 0.00 C ATOM 693 O LEU A 449 -4.121 -28.552 -5.442 1.00 0.00 O ATOM 694 CB LEU A 449 -5.489 -28.843 -3.081 1.00 0.00 C ATOM 695 CG LEU A 449 -5.454 -30.276 -3.617 1.00 0.00 C ATOM 696 CD1 LEU A 449 -5.365 -31.257 -2.447 1.00 0.00 C ATOM 697 CD2 LEU A 449 -6.731 -30.552 -4.414 1.00 0.00 C ATOM 0 H LEU A 449 -3.946 -26.142 -2.846 1.00 0.00 H new ATOM 0 HA LEU A 449 -3.360 -28.963 -2.595 1.00 0.00 H new ATOM 0 HB2 LEU A 449 -5.915 -28.829 -2.078 1.00 0.00 H new ATOM 0 HB3 LEU A 449 -6.130 -28.224 -3.709 1.00 0.00 H new ATOM 0 HG LEU A 449 -4.585 -30.401 -4.263 1.00 0.00 H new ATOM 0 HD11 LEU A 449 -5.340 -32.278 -2.829 1.00 0.00 H new ATOM 0 HD12 LEU A 449 -4.457 -31.061 -1.876 1.00 0.00 H new ATOM 0 HD13 LEU A 449 -6.234 -31.133 -1.801 1.00 0.00 H new ATOM 0 HD21 LEU A 449 -6.708 -31.572 -4.797 1.00 0.00 H new ATOM 0 HD22 LEU A 449 -7.598 -30.427 -3.766 1.00 0.00 H new ATOM 0 HD23 LEU A 449 -6.798 -29.853 -5.248 1.00 0.00 H new ATOM 709 N ASP A 450 -2.598 -27.141 -4.673 1.00 0.00 N ATOM 710 CA ASP A 450 -2.095 -26.809 -6.040 1.00 0.00 C ATOM 711 C ASP A 450 -3.256 -26.509 -7.010 1.00 0.00 C ATOM 712 O ASP A 450 -3.343 -27.093 -8.074 1.00 0.00 O ATOM 713 CB ASP A 450 -1.311 -28.042 -6.491 1.00 0.00 C ATOM 714 CG ASP A 450 0.171 -27.855 -6.163 1.00 0.00 C ATOM 715 OD1 ASP A 450 0.655 -26.745 -6.312 1.00 0.00 O ATOM 716 OD2 ASP A 450 0.796 -28.825 -5.767 1.00 0.00 O ATOM 0 H ASP A 450 -2.120 -26.655 -3.914 1.00 0.00 H new ATOM 0 HA ASP A 450 -1.475 -25.913 -6.031 1.00 0.00 H new ATOM 0 HB2 ASP A 450 -1.695 -28.932 -5.992 1.00 0.00 H new ATOM 0 HB3 ASP A 450 -1.440 -28.196 -7.562 1.00 0.00 H new ATOM 721 N GLU A 451 -4.145 -25.604 -6.654 1.00 0.00 N ATOM 722 CA GLU A 451 -5.287 -25.278 -7.560 1.00 0.00 C ATOM 723 C GLU A 451 -5.212 -23.813 -7.999 1.00 0.00 C ATOM 724 O GLU A 451 -6.205 -23.314 -8.505 1.00 0.00 O ATOM 725 CB GLU A 451 -6.541 -25.522 -6.720 1.00 0.00 C ATOM 726 CG GLU A 451 -6.612 -26.999 -6.325 1.00 0.00 C ATOM 727 CD GLU A 451 -8.029 -27.336 -5.862 1.00 0.00 C ATOM 728 OE1 GLU A 451 -8.310 -27.146 -4.690 1.00 0.00 O ATOM 729 OE2 GLU A 451 -8.812 -27.780 -6.687 1.00 0.00 O ATOM 730 OXT GLU A 451 -4.164 -23.214 -7.822 1.00 0.00 O ATOM 0 H GLU A 451 -4.124 -25.082 -5.778 1.00 0.00 H new ATOM 0 HA GLU A 451 -5.280 -25.882 -8.467 1.00 0.00 H new ATOM 0 HB2 GLU A 451 -6.521 -24.897 -5.828 1.00 0.00 H new ATOM 0 HB3 GLU A 451 -7.430 -25.243 -7.285 1.00 0.00 H new ATOM 0 HG2 GLU A 451 -6.336 -27.627 -7.172 1.00 0.00 H new ATOM 0 HG3 GLU A 451 -5.898 -27.208 -5.528 1.00 0.00 H new