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 431 ASN : amide:sc= -1.84 K(o=-4.1,f=-5.7!) USER MOD Set 1.2: A 433 GLN : amide:sc= -2.27! C(o=-4.1!,f=-6.8!) USER MOD Set 2.1: A 421 CYS SG : rot -164:sc= -2.08 USER MOD Set 2.2: A 427 CYS SG : rot 55:sc= -1.8! USER MOD Set 2.3: A 434 HIS : no HD1:sc= -0.435 K(o=-4.6,f=-8.2) USER MOD Set 2.4: A 440 HIS : no HE2:sc= -0.302 K(o=-4.6,f=-9.1) USER MOD Single : A 423 TYR OH : rot 180:sc= 0 USER MOD Single : A 426 SER OG : rot 180:sc= 0 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 435 LYS NZ :NH3+ 146:sc= -0.195 (180deg=-0.4) USER MOD Single : A 438 TYR OH : rot 180:sc= 0 USER MOD Single : A 441 ASN : amide:sc= -2.77! C(o=-2.8!,f=-2.7!) USER MOD Single : A 442 THR OG1 : rot 180:sc= 0 USER MOD Single : A 447 ASN : amide:sc= -0.021 X(o=-0.021,f=0) USER MOD ----------------------------------------------------------------- ATOM 148 N ASP A 416 -1.035 -10.511 -9.369 1.00 0.00 N ATOM 149 CA ASP A 416 -0.400 -11.723 -8.766 1.00 0.00 C ATOM 150 C ASP A 416 1.029 -11.418 -8.281 1.00 0.00 C ATOM 151 O ASP A 416 1.738 -12.325 -7.884 1.00 0.00 O ATOM 152 CB ASP A 416 -0.363 -12.780 -9.877 1.00 0.00 C ATOM 153 CG ASP A 416 -1.717 -13.491 -9.965 1.00 0.00 C ATOM 154 OD1 ASP A 416 -2.717 -12.865 -9.653 1.00 0.00 O ATOM 155 OD2 ASP A 416 -1.731 -14.651 -10.343 1.00 0.00 O ATOM 0 HA ASP A 416 -0.964 -12.064 -7.898 1.00 0.00 H new ATOM 0 HB2 ASP A 416 -0.127 -12.309 -10.831 1.00 0.00 H new ATOM 0 HB3 ASP A 416 0.426 -13.505 -9.675 1.00 0.00 H new ATOM 160 N ASP A 417 1.489 -10.175 -8.335 1.00 0.00 N ATOM 161 CA ASP A 417 2.894 -9.900 -7.900 1.00 0.00 C ATOM 162 C ASP A 417 2.981 -8.955 -6.685 1.00 0.00 C ATOM 163 O ASP A 417 4.076 -8.637 -6.250 1.00 0.00 O ATOM 164 CB ASP A 417 3.549 -9.248 -9.121 1.00 0.00 C ATOM 165 CG ASP A 417 4.089 -10.334 -10.053 1.00 0.00 C ATOM 166 OD1 ASP A 417 3.311 -11.183 -10.456 1.00 0.00 O ATOM 167 OD2 ASP A 417 5.272 -10.297 -10.350 1.00 0.00 O ATOM 0 H ASP A 417 0.959 -9.364 -8.655 1.00 0.00 H new ATOM 0 HA ASP A 417 3.383 -10.819 -7.577 1.00 0.00 H new ATOM 0 HB2 ASP A 417 2.823 -8.629 -9.649 1.00 0.00 H new ATOM 0 HB3 ASP A 417 4.359 -8.590 -8.805 1.00 0.00 H new ATOM 172 N ARG A 418 1.882 -8.480 -6.128 1.00 0.00 N ATOM 173 CA ARG A 418 2.000 -7.538 -4.948 1.00 0.00 C ATOM 174 C ARG A 418 2.121 -8.345 -3.645 1.00 0.00 C ATOM 175 O ARG A 418 1.441 -9.340 -3.489 1.00 0.00 O ATOM 176 CB ARG A 418 0.703 -6.692 -4.905 1.00 0.00 C ATOM 177 CG ARG A 418 0.348 -6.158 -6.305 1.00 0.00 C ATOM 178 CD ARG A 418 0.155 -4.641 -6.258 1.00 0.00 C ATOM 179 NE ARG A 418 0.417 -4.182 -7.658 1.00 0.00 N ATOM 180 CZ ARG A 418 -0.530 -4.210 -8.585 1.00 0.00 C ATOM 181 NH1 ARG A 418 -1.730 -4.677 -8.328 1.00 0.00 N ATOM 182 NH2 ARG A 418 -0.265 -3.777 -9.791 1.00 0.00 N ATOM 0 H ARG A 418 0.931 -8.695 -6.427 1.00 0.00 H new ATOM 0 HA ARG A 418 2.881 -6.905 -5.049 1.00 0.00 H new ATOM 0 HB2 ARG A 418 -0.119 -7.298 -4.524 1.00 0.00 H new ATOM 0 HB3 ARG A 418 0.831 -5.858 -4.215 1.00 0.00 H new ATOM 0 HG2 ARG A 418 1.140 -6.410 -7.010 1.00 0.00 H new ATOM 0 HG3 ARG A 418 -0.563 -6.637 -6.665 1.00 0.00 H new ATOM 0 HD2 ARG A 418 -0.854 -4.380 -5.938 1.00 0.00 H new ATOM 0 HD3 ARG A 418 0.844 -4.176 -5.553 1.00 0.00 H new ATOM 0 HE ARG A 418 1.346 -3.840 -7.905 1.00 0.00 H new ATOM 0 HH11 ARG A 418 -1.951 -5.030 -7.397 1.00 0.00 H new ATOM 0 HH12 ARG A 418 -2.441 -4.687 -9.060 1.00 0.00 H new ATOM 0 HH21 ARG A 418 0.665 -3.421 -10.012 1.00 0.00 H new ATOM 0 HH22 ARG A 418 -0.988 -3.795 -10.510 1.00 0.00 H new ATOM 196 N PRO A 419 2.973 -7.902 -2.739 1.00 0.00 N ATOM 197 CA PRO A 419 3.135 -8.615 -1.460 1.00 0.00 C ATOM 198 C PRO A 419 2.081 -8.108 -0.436 1.00 0.00 C ATOM 199 O PRO A 419 0.981 -8.629 -0.404 1.00 0.00 O ATOM 200 CB PRO A 419 4.587 -8.297 -1.077 1.00 0.00 C ATOM 201 CG PRO A 419 4.918 -6.999 -1.766 1.00 0.00 C ATOM 202 CD PRO A 419 3.854 -6.729 -2.807 1.00 0.00 C ATOM 0 HA PRO A 419 2.968 -9.691 -1.502 1.00 0.00 H new ATOM 0 HB2 PRO A 419 4.695 -8.205 0.004 1.00 0.00 H new ATOM 0 HB3 PRO A 419 5.259 -9.093 -1.398 1.00 0.00 H new ATOM 0 HG2 PRO A 419 4.957 -6.184 -1.043 1.00 0.00 H new ATOM 0 HG3 PRO A 419 5.901 -7.057 -2.234 1.00 0.00 H new ATOM 0 HD2 PRO A 419 3.310 -5.810 -2.590 1.00 0.00 H new ATOM 0 HD3 PRO A 419 4.289 -6.615 -3.800 1.00 0.00 H new ATOM 210 N GLU A 420 2.376 -7.104 0.390 1.00 0.00 N ATOM 211 CA GLU A 420 1.342 -6.615 1.372 1.00 0.00 C ATOM 212 C GLU A 420 1.829 -5.387 2.168 1.00 0.00 C ATOM 213 O GLU A 420 2.740 -5.482 2.969 1.00 0.00 O ATOM 214 CB GLU A 420 1.079 -7.785 2.335 1.00 0.00 C ATOM 215 CG GLU A 420 2.375 -8.194 3.037 1.00 0.00 C ATOM 216 CD GLU A 420 2.260 -9.644 3.510 1.00 0.00 C ATOM 217 OE1 GLU A 420 1.681 -9.859 4.563 1.00 0.00 O ATOM 218 OE2 GLU A 420 2.751 -10.515 2.812 1.00 0.00 O ATOM 0 H GLU A 420 3.272 -6.617 0.421 1.00 0.00 H new ATOM 0 HA GLU A 420 0.443 -6.302 0.841 1.00 0.00 H new ATOM 0 HB2 GLU A 420 0.332 -7.496 3.074 1.00 0.00 H new ATOM 0 HB3 GLU A 420 0.671 -8.633 1.785 1.00 0.00 H new ATOM 0 HG2 GLU A 420 3.220 -8.088 2.356 1.00 0.00 H new ATOM 0 HG3 GLU A 420 2.565 -7.537 3.886 1.00 0.00 H new ATOM 225 N CYS A 421 1.204 -4.241 1.974 1.00 0.00 N ATOM 226 CA CYS A 421 1.617 -3.017 2.755 1.00 0.00 C ATOM 227 C CYS A 421 1.444 -3.276 4.266 1.00 0.00 C ATOM 228 O CYS A 421 0.466 -3.868 4.672 1.00 0.00 O ATOM 229 CB CYS A 421 0.664 -1.890 2.300 1.00 0.00 C ATOM 230 SG CYS A 421 1.005 -0.353 3.193 1.00 0.00 S ATOM 0 H CYS A 421 0.436 -4.100 1.318 1.00 0.00 H new ATOM 0 HA CYS A 421 2.661 -2.758 2.581 1.00 0.00 H new ATOM 0 HB2 CYS A 421 0.776 -1.725 1.228 1.00 0.00 H new ATOM 0 HB3 CYS A 421 -0.369 -2.192 2.470 1.00 0.00 H new ATOM 0 HG CYS A 421 0.005 0.465 3.047 1.00 0.00 H new ATOM 235 N PRO A 422 2.388 -2.809 5.062 1.00 0.00 N ATOM 236 CA PRO A 422 2.289 -2.992 6.536 1.00 0.00 C ATOM 237 C PRO A 422 1.166 -2.101 7.110 1.00 0.00 C ATOM 238 O PRO A 422 0.451 -2.509 8.007 1.00 0.00 O ATOM 239 CB PRO A 422 3.658 -2.547 7.048 1.00 0.00 C ATOM 240 CG PRO A 422 4.179 -1.617 6.002 1.00 0.00 C ATOM 241 CD PRO A 422 3.614 -2.083 4.686 1.00 0.00 C ATOM 0 HA PRO A 422 2.046 -4.014 6.828 1.00 0.00 H new ATOM 0 HB2 PRO A 422 3.575 -2.048 8.014 1.00 0.00 H new ATOM 0 HB3 PRO A 422 4.324 -3.399 7.186 1.00 0.00 H new ATOM 0 HG2 PRO A 422 3.876 -0.591 6.211 1.00 0.00 H new ATOM 0 HG3 PRO A 422 5.269 -1.630 5.981 1.00 0.00 H new ATOM 0 HD2 PRO A 422 3.394 -1.244 4.026 1.00 0.00 H new ATOM 0 HD3 PRO A 422 4.314 -2.729 4.157 1.00 0.00 H new ATOM 249 N TYR A 423 1.007 -0.885 6.603 1.00 0.00 N ATOM 250 CA TYR A 423 -0.083 0.021 7.134 1.00 0.00 C ATOM 251 C TYR A 423 -1.430 -0.733 7.177 1.00 0.00 C ATOM 252 O TYR A 423 -2.124 -0.700 8.176 1.00 0.00 O ATOM 253 CB TYR A 423 -0.148 1.232 6.186 1.00 0.00 C ATOM 254 CG TYR A 423 1.142 2.011 6.273 1.00 0.00 C ATOM 255 CD1 TYR A 423 1.724 2.306 7.544 1.00 0.00 C ATOM 256 CD2 TYR A 423 1.762 2.477 5.083 1.00 0.00 C ATOM 257 CE1 TYR A 423 2.926 3.056 7.619 1.00 0.00 C ATOM 258 CE2 TYR A 423 2.966 3.230 5.165 1.00 0.00 C ATOM 259 CZ TYR A 423 3.546 3.516 6.432 1.00 0.00 C ATOM 260 OH TYR A 423 4.715 4.240 6.508 1.00 0.00 O ATOM 0 H TYR A 423 1.576 -0.487 5.856 1.00 0.00 H new ATOM 0 HA TYR A 423 0.128 0.347 8.153 1.00 0.00 H new ATOM 0 HB2 TYR A 423 -0.314 0.897 5.162 1.00 0.00 H new ATOM 0 HB3 TYR A 423 -0.990 1.871 6.453 1.00 0.00 H new ATOM 0 HD1 TYR A 423 1.248 1.958 8.449 1.00 0.00 H new ATOM 0 HD2 TYR A 423 1.322 2.261 4.121 1.00 0.00 H new ATOM 0 HE1 TYR A 423 3.367 3.276 8.580 1.00 0.00 H new ATOM 0 HE2 TYR A 423 3.441 3.586 4.263 1.00 0.00 H new ATOM 0 HH TYR A 423 5.011 4.479 5.605 1.00 0.00 H new ATOM 270 N GLY A 424 -1.793 -1.436 6.120 1.00 0.00 N ATOM 271 CA GLY A 424 -3.072 -2.210 6.141 1.00 0.00 C ATOM 272 C GLY A 424 -4.235 -1.371 5.588 1.00 0.00 C ATOM 273 O GLY A 424 -4.038 -0.551 4.715 1.00 0.00 O ATOM 0 H GLY A 424 -1.259 -1.503 5.254 1.00 0.00 H new ATOM 0 HA2 GLY A 424 -2.961 -3.118 5.549 1.00 0.00 H new ATOM 0 HA3 GLY A 424 -3.296 -2.520 7.162 1.00 0.00 H new ATOM 277 N PRO A 425 -5.424 -1.610 6.114 1.00 0.00 N ATOM 278 CA PRO A 425 -6.630 -0.865 5.649 1.00 0.00 C ATOM 279 C PRO A 425 -6.568 0.625 6.039 1.00 0.00 C ATOM 280 O PRO A 425 -7.245 1.442 5.443 1.00 0.00 O ATOM 281 CB PRO A 425 -7.782 -1.559 6.372 1.00 0.00 C ATOM 282 CG PRO A 425 -7.157 -2.169 7.580 1.00 0.00 C ATOM 283 CD PRO A 425 -5.767 -2.573 7.178 1.00 0.00 C ATOM 0 HA PRO A 425 -6.728 -0.878 4.564 1.00 0.00 H new ATOM 0 HB2 PRO A 425 -8.563 -0.849 6.646 1.00 0.00 H new ATOM 0 HB3 PRO A 425 -8.247 -2.317 5.741 1.00 0.00 H new ATOM 0 HG2 PRO A 425 -7.132 -1.458 8.406 1.00 0.00 H new ATOM 0 HG3 PRO A 425 -7.730 -3.032 7.920 1.00 0.00 H new ATOM 0 HD2 PRO A 425 -5.072 -2.510 8.016 1.00 0.00 H new ATOM 0 HD3 PRO A 425 -5.736 -3.600 6.815 1.00 0.00 H new ATOM 291 N SER A 426 -5.763 1.000 7.020 1.00 0.00 N ATOM 292 CA SER A 426 -5.679 2.445 7.403 1.00 0.00 C ATOM 293 C SER A 426 -4.400 3.047 6.805 1.00 0.00 C ATOM 294 O SER A 426 -3.633 3.695 7.494 1.00 0.00 O ATOM 295 CB SER A 426 -5.625 2.470 8.934 1.00 0.00 C ATOM 296 OG SER A 426 -5.997 3.760 9.399 1.00 0.00 O ATOM 0 H SER A 426 -5.170 0.371 7.561 1.00 0.00 H new ATOM 0 HA SER A 426 -6.525 3.025 7.034 1.00 0.00 H new ATOM 0 HB2 SER A 426 -6.296 1.716 9.345 1.00 0.00 H new ATOM 0 HB3 SER A 426 -4.620 2.223 9.277 1.00 0.00 H new ATOM 0 HG SER A 426 -5.964 3.777 10.378 1.00 0.00 H new ATOM 302 N CYS A 427 -4.164 2.840 5.524 1.00 0.00 N ATOM 303 CA CYS A 427 -2.928 3.406 4.892 1.00 0.00 C ATOM 304 C CYS A 427 -3.151 4.880 4.518 1.00 0.00 C ATOM 305 O CYS A 427 -3.613 5.191 3.437 1.00 0.00 O ATOM 306 CB CYS A 427 -2.650 2.573 3.636 1.00 0.00 C ATOM 307 SG CYS A 427 -0.997 2.972 3.035 1.00 0.00 S ATOM 0 H CYS A 427 -4.769 2.309 4.898 1.00 0.00 H new ATOM 0 HA CYS A 427 -2.083 3.365 5.579 1.00 0.00 H new ATOM 0 HB2 CYS A 427 -2.723 1.510 3.864 1.00 0.00 H new ATOM 0 HB3 CYS A 427 -3.394 2.787 2.868 1.00 0.00 H new ATOM 0 HG CYS A 427 -0.133 2.792 3.989 1.00 0.00 H new ATOM 312 N TYR A 428 -2.801 5.790 5.402 1.00 0.00 N ATOM 313 CA TYR A 428 -2.969 7.257 5.085 1.00 0.00 C ATOM 314 C TYR A 428 -2.175 7.633 3.798 1.00 0.00 C ATOM 315 O TYR A 428 -2.504 8.603 3.140 1.00 0.00 O ATOM 316 CB TYR A 428 -2.474 8.052 6.350 1.00 0.00 C ATOM 317 CG TYR A 428 -1.285 8.949 6.035 1.00 0.00 C ATOM 318 CD1 TYR A 428 -1.497 10.176 5.352 1.00 0.00 C ATOM 319 CD2 TYR A 428 0.036 8.553 6.395 1.00 0.00 C ATOM 320 CE1 TYR A 428 -0.394 11.012 5.032 1.00 0.00 C ATOM 321 CE2 TYR A 428 1.131 9.386 6.069 1.00 0.00 C ATOM 322 CZ TYR A 428 0.921 10.617 5.390 1.00 0.00 C ATOM 323 OH TYR A 428 1.995 11.425 5.077 1.00 0.00 O ATOM 0 H TYR A 428 -2.410 5.587 6.322 1.00 0.00 H new ATOM 0 HA TYR A 428 -4.009 7.507 4.876 1.00 0.00 H new ATOM 0 HB2 TYR A 428 -3.292 8.659 6.739 1.00 0.00 H new ATOM 0 HB3 TYR A 428 -2.198 7.348 7.135 1.00 0.00 H new ATOM 0 HD1 TYR A 428 -2.498 10.474 5.076 1.00 0.00 H new ATOM 0 HD2 TYR A 428 0.200 7.621 6.915 1.00 0.00 H new ATOM 0 HE1 TYR A 428 -0.556 11.947 4.517 1.00 0.00 H new ATOM 0 HE2 TYR A 428 2.133 9.085 6.337 1.00 0.00 H new ATOM 0 HH TYR A 428 2.822 11.007 5.394 1.00 0.00 H new ATOM 333 N ARG A 429 -1.137 6.892 3.442 1.00 0.00 N ATOM 334 CA ARG A 429 -0.355 7.256 2.209 1.00 0.00 C ATOM 335 C ARG A 429 -0.962 6.592 0.963 1.00 0.00 C ATOM 336 O ARG A 429 -1.462 5.483 1.027 1.00 0.00 O ATOM 337 CB ARG A 429 1.096 6.773 2.438 1.00 0.00 C ATOM 338 CG ARG A 429 1.161 5.239 2.526 1.00 0.00 C ATOM 339 CD ARG A 429 2.603 4.766 2.288 1.00 0.00 C ATOM 340 NE ARG A 429 3.005 5.253 0.918 1.00 0.00 N ATOM 341 CZ ARG A 429 4.282 5.327 0.571 1.00 0.00 C ATOM 342 NH1 ARG A 429 5.240 4.973 1.397 1.00 0.00 N ATOM 343 NH2 ARG A 429 4.604 5.752 -0.624 1.00 0.00 N ATOM 0 H ARG A 429 -0.806 6.068 3.943 1.00 0.00 H new ATOM 0 HA ARG A 429 -0.381 8.332 2.038 1.00 0.00 H new ATOM 0 HB2 ARG A 429 1.731 7.121 1.623 1.00 0.00 H new ATOM 0 HB3 ARG A 429 1.487 7.210 3.357 1.00 0.00 H new ATOM 0 HG2 ARG A 429 0.816 4.907 3.505 1.00 0.00 H new ATOM 0 HG3 ARG A 429 0.496 4.794 1.786 1.00 0.00 H new ATOM 0 HD2 ARG A 429 3.271 5.166 3.051 1.00 0.00 H new ATOM 0 HD3 ARG A 429 2.667 3.679 2.345 1.00 0.00 H new ATOM 0 HE ARG A 429 2.285 5.529 0.250 1.00 0.00 H new ATOM 0 HH11 ARG A 429 5.009 4.632 2.330 1.00 0.00 H new ATOM 0 HH12 ARG A 429 6.215 5.039 1.105 1.00 0.00 H new ATOM 0 HH21 ARG A 429 3.874 6.024 -1.282 1.00 0.00 H new ATOM 0 HH22 ARG A 429 5.585 5.811 -0.897 1.00 0.00 H new ATOM 357 N LYS A 430 -0.907 7.255 -0.173 1.00 0.00 N ATOM 358 CA LYS A 430 -1.459 6.652 -1.417 1.00 0.00 C ATOM 359 C LYS A 430 -0.319 6.473 -2.431 1.00 0.00 C ATOM 360 O LYS A 430 0.114 5.369 -2.665 1.00 0.00 O ATOM 361 CB LYS A 430 -2.509 7.643 -1.923 1.00 0.00 C ATOM 362 CG LYS A 430 -3.830 7.402 -1.188 1.00 0.00 C ATOM 363 CD LYS A 430 -5.001 7.644 -2.141 1.00 0.00 C ATOM 364 CE LYS A 430 -6.230 8.065 -1.334 1.00 0.00 C ATOM 365 NZ LYS A 430 -7.377 7.915 -2.273 1.00 0.00 N ATOM 0 H LYS A 430 -0.503 8.185 -0.284 1.00 0.00 H new ATOM 0 HA LYS A 430 -1.906 5.671 -1.255 1.00 0.00 H new ATOM 0 HB2 LYS A 430 -2.169 8.666 -1.758 1.00 0.00 H new ATOM 0 HB3 LYS A 430 -2.650 7.523 -2.997 1.00 0.00 H new ATOM 0 HG2 LYS A 430 -3.864 6.382 -0.806 1.00 0.00 H new ATOM 0 HG3 LYS A 430 -3.905 8.067 -0.328 1.00 0.00 H new ATOM 0 HD2 LYS A 430 -4.743 8.419 -2.863 1.00 0.00 H new ATOM 0 HD3 LYS A 430 -5.217 6.738 -2.708 1.00 0.00 H new ATOM 0 HE2 LYS A 430 -6.357 7.437 -0.452 1.00 0.00 H new ATOM 0 HE3 LYS A 430 -6.139 9.093 -0.983 1.00 0.00 H new ATOM 0 HZ1 LYS A 430 -8.258 8.186 -1.791 1.00 0.00 H new ATOM 0 HZ2 LYS A 430 -7.232 8.529 -3.100 1.00 0.00 H new ATOM 0 HZ3 LYS A 430 -7.443 6.925 -2.585 1.00 0.00 H new ATOM 379 N ASN A 431 0.195 7.551 -3.004 1.00 0.00 N ATOM 380 CA ASN A 431 1.333 7.444 -3.979 1.00 0.00 C ATOM 381 C ASN A 431 0.998 6.502 -5.157 1.00 0.00 C ATOM 382 O ASN A 431 0.183 5.613 -5.032 1.00 0.00 O ATOM 383 CB ASN A 431 2.510 6.898 -3.162 1.00 0.00 C ATOM 384 CG ASN A 431 3.799 7.635 -3.552 1.00 0.00 C ATOM 385 OD1 ASN A 431 3.762 8.808 -3.866 1.00 0.00 O ATOM 386 ND2 ASN A 431 4.945 7.000 -3.545 1.00 0.00 N ATOM 0 H ASN A 431 -0.131 8.502 -2.833 1.00 0.00 H new ATOM 0 HA ASN A 431 1.556 8.410 -4.432 1.00 0.00 H new ATOM 0 HB2 ASN A 431 2.315 7.025 -2.097 1.00 0.00 H new ATOM 0 HB3 ASN A 431 2.623 5.829 -3.340 1.00 0.00 H new ATOM 0 HD21 ASN A 431 5.801 7.491 -3.802 1.00 0.00 H new ATOM 0 HD22 ASN A 431 4.981 6.015 -3.282 1.00 0.00 H new ATOM 393 N PRO A 432 1.638 6.734 -6.287 1.00 0.00 N ATOM 394 CA PRO A 432 1.385 5.887 -7.475 1.00 0.00 C ATOM 395 C PRO A 432 2.194 4.578 -7.417 1.00 0.00 C ATOM 396 O PRO A 432 1.701 3.537 -7.807 1.00 0.00 O ATOM 397 CB PRO A 432 1.848 6.758 -8.638 1.00 0.00 C ATOM 398 CG PRO A 432 2.861 7.702 -8.060 1.00 0.00 C ATOM 399 CD PRO A 432 2.623 7.792 -6.570 1.00 0.00 C ATOM 0 HA PRO A 432 0.342 5.581 -7.556 1.00 0.00 H new ATOM 0 HB2 PRO A 432 2.286 6.152 -9.431 1.00 0.00 H new ATOM 0 HB3 PRO A 432 1.012 7.302 -9.077 1.00 0.00 H new ATOM 0 HG2 PRO A 432 3.871 7.347 -8.263 1.00 0.00 H new ATOM 0 HG3 PRO A 432 2.770 8.686 -8.520 1.00 0.00 H new ATOM 0 HD2 PRO A 432 3.545 7.635 -6.011 1.00 0.00 H new ATOM 0 HD3 PRO A 432 2.243 8.774 -6.288 1.00 0.00 H new ATOM 407 N GLN A 433 3.421 4.607 -6.936 1.00 0.00 N ATOM 408 CA GLN A 433 4.220 3.346 -6.866 1.00 0.00 C ATOM 409 C GLN A 433 3.938 2.587 -5.560 1.00 0.00 C ATOM 410 O GLN A 433 4.175 1.396 -5.480 1.00 0.00 O ATOM 411 CB GLN A 433 5.708 3.741 -6.998 1.00 0.00 C ATOM 412 CG GLN A 433 6.226 4.466 -5.735 1.00 0.00 C ATOM 413 CD GLN A 433 6.497 3.460 -4.608 1.00 0.00 C ATOM 414 OE1 GLN A 433 6.071 3.672 -3.489 1.00 0.00 O ATOM 415 NE2 GLN A 433 7.185 2.375 -4.840 1.00 0.00 N ATOM 0 H GLN A 433 3.895 5.443 -6.594 1.00 0.00 H new ATOM 0 HA GLN A 433 3.945 2.666 -7.672 1.00 0.00 H new ATOM 0 HB2 GLN A 433 6.307 2.847 -7.175 1.00 0.00 H new ATOM 0 HB3 GLN A 433 5.836 4.388 -7.866 1.00 0.00 H new ATOM 0 HG2 GLN A 433 7.140 5.011 -5.971 1.00 0.00 H new ATOM 0 HG3 GLN A 433 5.493 5.202 -5.405 1.00 0.00 H new ATOM 0 HE21 GLN A 433 7.546 2.190 -5.776 1.00 0.00 H new ATOM 0 HE22 GLN A 433 7.362 1.712 -4.085 1.00 0.00 H new ATOM 424 N HIS A 434 3.437 3.244 -4.524 1.00 0.00 N ATOM 425 CA HIS A 434 3.160 2.484 -3.262 1.00 0.00 C ATOM 426 C HIS A 434 2.074 1.443 -3.560 1.00 0.00 C ATOM 427 O HIS A 434 2.281 0.265 -3.337 1.00 0.00 O ATOM 428 CB HIS A 434 2.695 3.500 -2.198 1.00 0.00 C ATOM 429 CG HIS A 434 2.276 2.771 -0.946 1.00 0.00 C ATOM 430 ND1 HIS A 434 3.156 1.981 -0.214 1.00 0.00 N ATOM 431 CD2 HIS A 434 1.063 2.661 -0.314 1.00 0.00 C ATOM 432 CE1 HIS A 434 2.456 1.430 0.797 1.00 0.00 C ATOM 433 NE2 HIS A 434 1.184 1.813 0.772 1.00 0.00 N ATOM 0 H HIS A 434 3.217 4.240 -4.503 1.00 0.00 H new ATOM 0 HA HIS A 434 4.043 1.963 -2.891 1.00 0.00 H new ATOM 0 HB2 HIS A 434 3.501 4.198 -1.971 1.00 0.00 H new ATOM 0 HB3 HIS A 434 1.862 4.089 -2.583 1.00 0.00 H new ATOM 0 HD2 HIS A 434 0.154 3.159 -0.618 1.00 0.00 H new ATOM 0 HE1 HIS A 434 2.876 0.762 1.534 1.00 0.00 H new ATOM 0 HE2 HIS A 434 0.447 1.538 1.421 1.00 0.00 H new ATOM 441 N LYS A 435 0.907 1.847 -4.037 1.00 0.00 N ATOM 442 CA LYS A 435 -0.188 0.834 -4.314 1.00 0.00 C ATOM 443 C LYS A 435 0.324 -0.343 -5.153 1.00 0.00 C ATOM 444 O LYS A 435 -0.116 -1.465 -4.968 1.00 0.00 O ATOM 445 CB LYS A 435 -1.274 1.577 -5.103 1.00 0.00 C ATOM 446 CG LYS A 435 -2.164 2.356 -4.136 1.00 0.00 C ATOM 447 CD LYS A 435 -2.598 3.661 -4.797 1.00 0.00 C ATOM 448 CE LYS A 435 -2.879 4.711 -3.724 1.00 0.00 C ATOM 449 NZ LYS A 435 -4.171 4.294 -3.111 1.00 0.00 N ATOM 0 H LYS A 435 0.666 2.816 -4.244 1.00 0.00 H new ATOM 0 HA LYS A 435 -0.560 0.423 -3.375 1.00 0.00 H new ATOM 0 HB2 LYS A 435 -0.816 2.258 -5.821 1.00 0.00 H new ATOM 0 HB3 LYS A 435 -1.873 0.868 -5.674 1.00 0.00 H new ATOM 0 HG2 LYS A 435 -3.038 1.762 -3.868 1.00 0.00 H new ATOM 0 HG3 LYS A 435 -1.624 2.564 -3.212 1.00 0.00 H new ATOM 0 HD2 LYS A 435 -1.818 4.015 -5.471 1.00 0.00 H new ATOM 0 HD3 LYS A 435 -3.490 3.495 -5.400 1.00 0.00 H new ATOM 0 HE2 LYS A 435 -2.081 4.741 -2.982 1.00 0.00 H new ATOM 0 HE3 LYS A 435 -2.950 5.709 -4.156 1.00 0.00 H new ATOM 0 HZ1 LYS A 435 -4.168 4.533 -2.099 1.00 0.00 H new ATOM 0 HZ2 LYS A 435 -4.955 4.790 -3.581 1.00 0.00 H new ATOM 0 HZ3 LYS A 435 -4.294 3.268 -3.224 1.00 0.00 H new ATOM 463 N ILE A 436 1.252 -0.113 -6.060 1.00 0.00 N ATOM 464 CA ILE A 436 1.760 -1.273 -6.868 1.00 0.00 C ATOM 465 C ILE A 436 2.814 -2.026 -6.036 1.00 0.00 C ATOM 466 O ILE A 436 2.816 -3.242 -6.001 1.00 0.00 O ATOM 467 CB ILE A 436 2.285 -0.773 -8.275 1.00 0.00 C ATOM 468 CG1 ILE A 436 3.403 -1.703 -8.820 1.00 0.00 C ATOM 469 CG2 ILE A 436 2.780 0.680 -8.276 1.00 0.00 C ATOM 470 CD1 ILE A 436 4.774 -1.378 -8.186 1.00 0.00 C ATOM 0 H ILE A 436 1.667 0.795 -6.270 1.00 0.00 H new ATOM 0 HA ILE A 436 0.960 -1.979 -7.091 1.00 0.00 H new ATOM 0 HB ILE A 436 1.416 -0.812 -8.932 1.00 0.00 H new ATOM 0 HG12 ILE A 436 3.144 -2.742 -8.616 1.00 0.00 H new ATOM 0 HG13 ILE A 436 3.468 -1.598 -9.903 1.00 0.00 H new ATOM 0 HG21 ILE A 436 3.123 0.947 -9.276 1.00 0.00 H new ATOM 0 HG22 ILE A 436 1.965 1.342 -7.983 1.00 0.00 H new ATOM 0 HG23 ILE A 436 3.604 0.784 -7.570 1.00 0.00 H new ATOM 0 HD11 ILE A 436 5.531 -2.049 -8.592 1.00 0.00 H new ATOM 0 HD12 ILE A 436 5.044 -0.347 -8.413 1.00 0.00 H new ATOM 0 HD13 ILE A 436 4.715 -1.509 -7.105 1.00 0.00 H new ATOM 482 N GLU A 437 3.708 -1.331 -5.369 1.00 0.00 N ATOM 483 CA GLU A 437 4.747 -2.061 -4.551 1.00 0.00 C ATOM 484 C GLU A 437 4.092 -2.843 -3.399 1.00 0.00 C ATOM 485 O GLU A 437 4.554 -3.914 -3.049 1.00 0.00 O ATOM 486 CB GLU A 437 5.709 -0.998 -3.986 1.00 0.00 C ATOM 487 CG GLU A 437 6.980 -0.954 -4.839 1.00 0.00 C ATOM 488 CD GLU A 437 8.197 -0.790 -3.931 1.00 0.00 C ATOM 489 OE1 GLU A 437 8.563 0.343 -3.665 1.00 0.00 O ATOM 490 OE2 GLU A 437 8.741 -1.798 -3.513 1.00 0.00 O ATOM 0 H GLU A 437 3.768 -0.313 -5.351 1.00 0.00 H new ATOM 0 HA GLU A 437 5.277 -2.782 -5.173 1.00 0.00 H new ATOM 0 HB2 GLU A 437 5.226 -0.021 -3.983 1.00 0.00 H new ATOM 0 HB3 GLU A 437 5.960 -1.233 -2.952 1.00 0.00 H new ATOM 0 HG2 GLU A 437 7.070 -1.869 -5.424 1.00 0.00 H new ATOM 0 HG3 GLU A 437 6.927 -0.127 -5.547 1.00 0.00 H new ATOM 497 N TYR A 438 3.033 -2.333 -2.799 1.00 0.00 N ATOM 498 CA TYR A 438 2.390 -3.074 -1.680 1.00 0.00 C ATOM 499 C TYR A 438 0.865 -3.097 -1.860 1.00 0.00 C ATOM 500 O TYR A 438 0.288 -2.181 -2.420 1.00 0.00 O ATOM 501 CB TYR A 438 2.802 -2.316 -0.424 1.00 0.00 C ATOM 502 CG TYR A 438 4.281 -2.510 -0.216 1.00 0.00 C ATOM 503 CD1 TYR A 438 4.792 -3.813 0.035 1.00 0.00 C ATOM 504 CD2 TYR A 438 5.163 -1.399 -0.282 1.00 0.00 C ATOM 505 CE1 TYR A 438 6.186 -4.002 0.222 1.00 0.00 C ATOM 506 CE2 TYR A 438 6.557 -1.589 -0.093 1.00 0.00 C ATOM 507 CZ TYR A 438 7.069 -2.891 0.159 1.00 0.00 C ATOM 508 OH TYR A 438 8.422 -3.077 0.340 1.00 0.00 O ATOM 0 H TYR A 438 2.597 -1.443 -3.040 1.00 0.00 H new ATOM 0 HA TYR A 438 2.699 -4.118 -1.632 1.00 0.00 H new ATOM 0 HB2 TYR A 438 2.569 -1.256 -0.527 1.00 0.00 H new ATOM 0 HB3 TYR A 438 2.246 -2.682 0.439 1.00 0.00 H new ATOM 0 HD1 TYR A 438 4.120 -4.657 0.083 1.00 0.00 H new ATOM 0 HD2 TYR A 438 4.774 -0.410 -0.476 1.00 0.00 H new ATOM 0 HE1 TYR A 438 6.576 -4.991 0.412 1.00 0.00 H new ATOM 0 HE2 TYR A 438 7.229 -0.744 -0.141 1.00 0.00 H new ATOM 0 HH TYR A 438 8.884 -2.216 0.265 1.00 0.00 H new ATOM 518 N ARG A 439 0.213 -4.161 -1.438 1.00 0.00 N ATOM 519 CA ARG A 439 -1.259 -4.256 -1.643 1.00 0.00 C ATOM 520 C ARG A 439 -2.068 -4.185 -0.344 1.00 0.00 C ATOM 521 O ARG A 439 -1.683 -4.697 0.689 1.00 0.00 O ATOM 522 CB ARG A 439 -1.499 -5.600 -2.354 1.00 0.00 C ATOM 523 CG ARG A 439 -1.106 -6.781 -1.460 1.00 0.00 C ATOM 524 CD ARG A 439 -1.906 -8.017 -1.896 1.00 0.00 C ATOM 525 NE ARG A 439 -1.646 -9.067 -0.845 1.00 0.00 N ATOM 526 CZ ARG A 439 -1.584 -10.356 -1.152 1.00 0.00 C ATOM 527 NH1 ARG A 439 -1.826 -10.792 -2.369 1.00 0.00 N ATOM 528 NH2 ARG A 439 -1.299 -11.225 -0.216 1.00 0.00 N ATOM 0 H ARG A 439 0.640 -4.958 -0.965 1.00 0.00 H new ATOM 0 HA ARG A 439 -1.600 -3.402 -2.229 1.00 0.00 H new ATOM 0 HB2 ARG A 439 -2.550 -5.685 -2.631 1.00 0.00 H new ATOM 0 HB3 ARG A 439 -0.922 -5.633 -3.278 1.00 0.00 H new ATOM 0 HG2 ARG A 439 -0.037 -6.976 -1.540 1.00 0.00 H new ATOM 0 HG3 ARG A 439 -1.310 -6.548 -0.415 1.00 0.00 H new ATOM 0 HD2 ARG A 439 -2.970 -7.789 -1.966 1.00 0.00 H new ATOM 0 HD3 ARG A 439 -1.588 -8.362 -2.880 1.00 0.00 H new ATOM 0 HE ARG A 439 -1.515 -8.779 0.125 1.00 0.00 H new ATOM 0 HH11 ARG A 439 -2.069 -10.132 -3.108 1.00 0.00 H new ATOM 0 HH12 ARG A 439 -1.770 -11.790 -2.574 1.00 0.00 H new ATOM 0 HH21 ARG A 439 -1.127 -10.909 0.738 1.00 0.00 H new ATOM 0 HH22 ARG A 439 -1.249 -12.219 -0.441 1.00 0.00 H new ATOM 542 N HIS A 440 -3.234 -3.597 -0.435 1.00 0.00 N ATOM 543 CA HIS A 440 -4.163 -3.528 0.721 1.00 0.00 C ATOM 544 C HIS A 440 -5.353 -4.370 0.254 1.00 0.00 C ATOM 545 O HIS A 440 -6.189 -3.891 -0.478 1.00 0.00 O ATOM 546 CB HIS A 440 -4.551 -2.043 0.919 1.00 0.00 C ATOM 547 CG HIS A 440 -3.341 -1.137 0.781 1.00 0.00 C ATOM 548 ND1 HIS A 440 -2.839 -0.765 -0.460 1.00 0.00 N ATOM 549 CD2 HIS A 440 -2.510 -0.539 1.708 1.00 0.00 C ATOM 550 CE1 HIS A 440 -1.758 0.001 -0.250 1.00 0.00 C ATOM 551 NE2 HIS A 440 -1.520 0.173 1.049 1.00 0.00 N ATOM 0 H HIS A 440 -3.584 -3.153 -1.284 1.00 0.00 H new ATOM 0 HA HIS A 440 -3.764 -3.888 1.669 1.00 0.00 H new ATOM 0 HB2 HIS A 440 -5.306 -1.761 0.185 1.00 0.00 H new ATOM 0 HB3 HIS A 440 -4.998 -1.909 1.904 1.00 0.00 H new ATOM 0 HD1 HIS A 440 -3.223 -1.027 -1.368 1.00 0.00 H new ATOM 0 HD2 HIS A 440 -2.615 -0.614 2.780 1.00 0.00 H new ATOM 0 HE1 HIS A 440 -1.154 0.426 -1.038 1.00 0.00 H new ATOM 559 N ASN A 441 -5.419 -5.629 0.657 1.00 0.00 N ATOM 560 CA ASN A 441 -6.541 -6.549 0.202 1.00 0.00 C ATOM 561 C ASN A 441 -6.262 -7.998 0.660 1.00 0.00 C ATOM 562 O ASN A 441 -7.115 -8.671 1.206 1.00 0.00 O ATOM 563 CB ASN A 441 -6.454 -6.574 -1.334 1.00 0.00 C ATOM 564 CG ASN A 441 -7.447 -5.608 -1.965 1.00 0.00 C ATOM 565 OD1 ASN A 441 -8.606 -5.579 -1.603 1.00 0.00 O ATOM 566 ND2 ASN A 441 -7.022 -4.795 -2.896 1.00 0.00 N ATOM 0 H ASN A 441 -4.743 -6.064 1.284 1.00 0.00 H new ATOM 0 HA ASN A 441 -7.497 -6.207 0.597 1.00 0.00 H new ATOM 0 HB2 ASN A 441 -5.443 -6.314 -1.646 1.00 0.00 H new ATOM 0 HB3 ASN A 441 -6.649 -7.584 -1.694 1.00 0.00 H new ATOM 0 HD21 ASN A 441 -7.665 -4.129 -3.324 1.00 0.00 H new ATOM 0 HD22 ASN A 441 -6.047 -4.826 -3.194 1.00 0.00 H new ATOM 573 N THR A 442 -5.045 -8.467 0.401 1.00 0.00 N ATOM 574 CA THR A 442 -4.640 -9.865 0.764 1.00 0.00 C ATOM 575 C THR A 442 -5.757 -10.880 0.408 1.00 0.00 C ATOM 576 O THR A 442 -6.233 -11.603 1.263 1.00 0.00 O ATOM 577 CB THR A 442 -4.401 -9.824 2.281 1.00 0.00 C ATOM 578 OG1 THR A 442 -3.853 -8.551 2.654 1.00 0.00 O ATOM 579 CG2 THR A 442 -3.437 -10.947 2.685 1.00 0.00 C ATOM 0 H THR A 442 -4.312 -7.923 -0.054 1.00 0.00 H new ATOM 0 HA THR A 442 -3.754 -10.188 0.217 1.00 0.00 H new ATOM 0 HB THR A 442 -5.351 -9.967 2.797 1.00 0.00 H new ATOM 0 HG1 THR A 442 -3.704 -8.530 3.622 1.00 0.00 H new ATOM 0 HG21 THR A 442 -3.271 -10.914 3.762 1.00 0.00 H new ATOM 0 HG22 THR A 442 -3.867 -11.911 2.414 1.00 0.00 H new ATOM 0 HG23 THR A 442 -2.487 -10.815 2.167 1.00 0.00 H new ATOM 587 N LEU A 443 -6.168 -10.948 -0.848 1.00 0.00 N ATOM 588 CA LEU A 443 -7.248 -11.932 -1.229 1.00 0.00 C ATOM 589 C LEU A 443 -6.608 -13.267 -1.649 1.00 0.00 C ATOM 590 O LEU A 443 -5.401 -13.363 -1.735 1.00 0.00 O ATOM 591 CB LEU A 443 -8.025 -11.305 -2.409 1.00 0.00 C ATOM 592 CG LEU A 443 -9.442 -10.931 -1.964 1.00 0.00 C ATOM 593 CD1 LEU A 443 -9.423 -9.546 -1.323 1.00 0.00 C ATOM 594 CD2 LEU A 443 -10.380 -10.908 -3.177 1.00 0.00 C ATOM 0 H LEU A 443 -5.809 -10.376 -1.612 1.00 0.00 H new ATOM 0 HA LEU A 443 -7.918 -12.134 -0.393 1.00 0.00 H new ATOM 0 HB2 LEU A 443 -7.502 -10.419 -2.769 1.00 0.00 H new ATOM 0 HB3 LEU A 443 -8.070 -12.009 -3.240 1.00 0.00 H new ATOM 0 HG LEU A 443 -9.797 -11.669 -1.244 1.00 0.00 H new ATOM 0 HD11 LEU A 443 -10.431 -9.278 -1.006 1.00 0.00 H new ATOM 0 HD12 LEU A 443 -8.760 -9.555 -0.458 1.00 0.00 H new ATOM 0 HD13 LEU A 443 -9.064 -8.815 -2.047 1.00 0.00 H new ATOM 0 HD21 LEU A 443 -11.386 -10.641 -2.854 1.00 0.00 H new ATOM 0 HD22 LEU A 443 -10.024 -10.173 -3.898 1.00 0.00 H new ATOM 0 HD23 LEU A 443 -10.398 -11.894 -3.642 1.00 0.00 H new ATOM 606 N PRO A 444 -7.435 -14.267 -1.894 1.00 0.00 N ATOM 607 CA PRO A 444 -6.910 -15.601 -2.299 1.00 0.00 C ATOM 608 C PRO A 444 -6.335 -15.562 -3.723 1.00 0.00 C ATOM 609 O PRO A 444 -6.727 -14.741 -4.531 1.00 0.00 O ATOM 610 CB PRO A 444 -8.137 -16.509 -2.231 1.00 0.00 C ATOM 611 CG PRO A 444 -9.304 -15.593 -2.407 1.00 0.00 C ATOM 612 CD PRO A 444 -8.908 -14.262 -1.822 1.00 0.00 C ATOM 0 HA PRO A 444 -6.094 -15.942 -1.661 1.00 0.00 H new ATOM 0 HB2 PRO A 444 -8.110 -17.269 -3.012 1.00 0.00 H new ATOM 0 HB3 PRO A 444 -8.187 -17.034 -1.277 1.00 0.00 H new ATOM 0 HG2 PRO A 444 -9.559 -15.491 -3.462 1.00 0.00 H new ATOM 0 HG3 PRO A 444 -10.185 -15.989 -1.903 1.00 0.00 H new ATOM 0 HD2 PRO A 444 -9.333 -13.434 -2.389 1.00 0.00 H new ATOM 0 HD3 PRO A 444 -9.257 -14.157 -0.795 1.00 0.00 H new ATOM 620 N VAL A 445 -5.404 -16.445 -4.039 1.00 0.00 N ATOM 621 CA VAL A 445 -4.810 -16.454 -5.416 1.00 0.00 C ATOM 622 C VAL A 445 -4.349 -17.878 -5.786 1.00 0.00 C ATOM 623 O VAL A 445 -3.203 -18.091 -6.135 1.00 0.00 O ATOM 624 CB VAL A 445 -3.608 -15.498 -5.353 1.00 0.00 C ATOM 625 CG1 VAL A 445 -2.918 -15.442 -6.721 1.00 0.00 C ATOM 626 CG2 VAL A 445 -4.079 -14.091 -4.980 1.00 0.00 C ATOM 0 H VAL A 445 -5.036 -17.153 -3.404 1.00 0.00 H new ATOM 0 HA VAL A 445 -5.530 -16.143 -6.173 1.00 0.00 H new ATOM 0 HB VAL A 445 -2.909 -15.863 -4.600 1.00 0.00 H new ATOM 0 HG11 VAL A 445 -2.067 -14.763 -6.672 1.00 0.00 H new ATOM 0 HG12 VAL A 445 -2.572 -16.439 -6.995 1.00 0.00 H new ATOM 0 HG13 VAL A 445 -3.624 -15.084 -7.470 1.00 0.00 H new ATOM 0 HG21 VAL A 445 -3.221 -13.420 -4.937 1.00 0.00 H new ATOM 0 HG22 VAL A 445 -4.784 -13.732 -5.730 1.00 0.00 H new ATOM 0 HG23 VAL A 445 -4.568 -14.117 -4.006 1.00 0.00 H new ATOM 636 N ARG A 446 -5.232 -18.857 -5.723 1.00 0.00 N ATOM 637 CA ARG A 446 -4.827 -20.266 -6.083 1.00 0.00 C ATOM 638 C ARG A 446 -6.020 -21.244 -6.013 1.00 0.00 C ATOM 639 O ARG A 446 -6.185 -22.068 -6.894 1.00 0.00 O ATOM 640 CB ARG A 446 -3.727 -20.685 -5.086 1.00 0.00 C ATOM 641 CG ARG A 446 -4.183 -20.459 -3.642 1.00 0.00 C ATOM 642 CD ARG A 446 -2.975 -20.551 -2.707 1.00 0.00 C ATOM 643 NE ARG A 446 -3.281 -19.606 -1.591 1.00 0.00 N ATOM 644 CZ ARG A 446 -4.201 -19.890 -0.683 1.00 0.00 C ATOM 645 NH1 ARG A 446 -4.873 -21.019 -0.717 1.00 0.00 N ATOM 646 NH2 ARG A 446 -4.449 -19.034 0.275 1.00 0.00 N ATOM 0 H ARG A 446 -6.206 -18.744 -5.441 1.00 0.00 H new ATOM 0 HA ARG A 446 -4.465 -20.297 -7.111 1.00 0.00 H new ATOM 0 HB2 ARG A 446 -3.479 -21.736 -5.233 1.00 0.00 H new ATOM 0 HB3 ARG A 446 -2.819 -20.113 -5.279 1.00 0.00 H new ATOM 0 HG2 ARG A 446 -4.656 -19.482 -3.547 1.00 0.00 H new ATOM 0 HG3 ARG A 446 -4.929 -21.203 -3.364 1.00 0.00 H new ATOM 0 HD2 ARG A 446 -2.837 -21.567 -2.338 1.00 0.00 H new ATOM 0 HD3 ARG A 446 -2.055 -20.271 -3.221 1.00 0.00 H new ATOM 0 HE ARG A 446 -2.771 -18.725 -1.528 1.00 0.00 H new ATOM 0 HH11 ARG A 446 -4.690 -21.699 -1.455 1.00 0.00 H new ATOM 0 HH12 ARG A 446 -5.577 -21.215 -0.006 1.00 0.00 H new ATOM 0 HH21 ARG A 446 -3.935 -18.154 0.319 1.00 0.00 H new ATOM 0 HH22 ARG A 446 -5.157 -19.246 0.978 1.00 0.00 H new ATOM 660 N ASN A 447 -6.856 -21.171 -4.991 1.00 0.00 N ATOM 661 CA ASN A 447 -8.018 -22.115 -4.917 1.00 0.00 C ATOM 662 C ASN A 447 -9.325 -21.368 -5.212 1.00 0.00 C ATOM 663 O ASN A 447 -10.121 -21.125 -4.323 1.00 0.00 O ATOM 664 CB ASN A 447 -8.016 -22.665 -3.486 1.00 0.00 C ATOM 665 CG ASN A 447 -8.905 -23.914 -3.417 1.00 0.00 C ATOM 666 OD1 ASN A 447 -9.903 -23.920 -2.724 1.00 0.00 O ATOM 667 ND2 ASN A 447 -8.589 -24.983 -4.108 1.00 0.00 N ATOM 0 H ASN A 447 -6.781 -20.508 -4.220 1.00 0.00 H new ATOM 0 HA ASN A 447 -7.938 -22.918 -5.650 1.00 0.00 H new ATOM 0 HB2 ASN A 447 -6.999 -22.912 -3.181 1.00 0.00 H new ATOM 0 HB3 ASN A 447 -8.381 -21.907 -2.793 1.00 0.00 H new ATOM 0 HD21 ASN A 447 -9.180 -25.813 -4.062 1.00 0.00 H new ATOM 0 HD22 ASN A 447 -7.752 -24.984 -4.692 1.00 0.00 H new ATOM 674 N VAL A 448 -9.560 -21.006 -6.457 1.00 0.00 N ATOM 675 CA VAL A 448 -10.827 -20.279 -6.801 1.00 0.00 C ATOM 676 C VAL A 448 -11.399 -20.759 -8.158 1.00 0.00 C ATOM 677 O VAL A 448 -12.148 -20.051 -8.804 1.00 0.00 O ATOM 678 CB VAL A 448 -10.432 -18.797 -6.870 1.00 0.00 C ATOM 679 CG1 VAL A 448 -11.672 -17.945 -7.144 1.00 0.00 C ATOM 680 CG2 VAL A 448 -9.811 -18.363 -5.537 1.00 0.00 C ATOM 0 H VAL A 448 -8.933 -21.182 -7.242 1.00 0.00 H new ATOM 0 HA VAL A 448 -11.608 -20.461 -6.063 1.00 0.00 H new ATOM 0 HB VAL A 448 -9.708 -18.660 -7.673 1.00 0.00 H new ATOM 0 HG11 VAL A 448 -11.388 -16.894 -7.192 1.00 0.00 H new ATOM 0 HG12 VAL A 448 -12.117 -18.245 -8.093 1.00 0.00 H new ATOM 0 HG13 VAL A 448 -12.396 -18.089 -6.342 1.00 0.00 H new ATOM 0 HG21 VAL A 448 -9.532 -17.311 -5.591 1.00 0.00 H new ATOM 0 HG22 VAL A 448 -10.535 -18.506 -4.735 1.00 0.00 H new ATOM 0 HG23 VAL A 448 -8.924 -18.963 -5.336 1.00 0.00 H new ATOM 690 N LEU A 449 -11.065 -21.960 -8.592 1.00 0.00 N ATOM 691 CA LEU A 449 -11.597 -22.492 -9.900 1.00 0.00 C ATOM 692 C LEU A 449 -11.062 -23.918 -10.145 1.00 0.00 C ATOM 693 O LEU A 449 -10.648 -24.245 -11.240 1.00 0.00 O ATOM 694 CB LEU A 449 -11.067 -21.547 -10.990 1.00 0.00 C ATOM 695 CG LEU A 449 -12.099 -21.436 -12.113 1.00 0.00 C ATOM 696 CD1 LEU A 449 -11.843 -20.162 -12.919 1.00 0.00 C ATOM 697 CD2 LEU A 449 -11.981 -22.652 -13.035 1.00 0.00 C ATOM 0 H LEU A 449 -10.444 -22.598 -8.094 1.00 0.00 H new ATOM 0 HA LEU A 449 -12.686 -22.537 -9.899 1.00 0.00 H new ATOM 0 HB2 LEU A 449 -10.866 -20.563 -10.567 1.00 0.00 H new ATOM 0 HB3 LEU A 449 -10.123 -21.923 -11.385 1.00 0.00 H new ATOM 0 HG LEU A 449 -13.100 -21.399 -11.683 1.00 0.00 H new ATOM 0 HD11 LEU A 449 -12.579 -20.084 -13.719 1.00 0.00 H new ATOM 0 HD12 LEU A 449 -11.925 -19.295 -12.264 1.00 0.00 H new ATOM 0 HD13 LEU A 449 -10.842 -20.198 -13.349 1.00 0.00 H new ATOM 0 HD21 LEU A 449 -12.716 -22.574 -13.836 1.00 0.00 H new ATOM 0 HD22 LEU A 449 -10.980 -22.688 -13.464 1.00 0.00 H new ATOM 0 HD23 LEU A 449 -12.163 -23.562 -12.463 1.00 0.00 H new ATOM 709 N ASP A 450 -11.056 -24.764 -9.128 1.00 0.00 N ATOM 710 CA ASP A 450 -10.535 -26.155 -9.284 1.00 0.00 C ATOM 711 C ASP A 450 -9.177 -26.172 -10.016 1.00 0.00 C ATOM 712 O ASP A 450 -9.060 -26.715 -11.099 1.00 0.00 O ATOM 713 CB ASP A 450 -11.601 -26.895 -10.095 1.00 0.00 C ATOM 714 CG ASP A 450 -11.382 -28.403 -9.971 1.00 0.00 C ATOM 715 OD1 ASP A 450 -10.304 -28.856 -10.319 1.00 0.00 O ATOM 716 OD2 ASP A 450 -12.296 -29.081 -9.532 1.00 0.00 O ATOM 0 H ASP A 450 -11.395 -24.539 -8.193 1.00 0.00 H new ATOM 0 HA ASP A 450 -10.357 -26.625 -8.316 1.00 0.00 H new ATOM 0 HB2 ASP A 450 -12.595 -26.631 -9.735 1.00 0.00 H new ATOM 0 HB3 ASP A 450 -11.550 -26.594 -11.142 1.00 0.00 H new ATOM 721 N GLU A 451 -8.151 -25.582 -9.434 1.00 0.00 N ATOM 722 CA GLU A 451 -6.815 -25.570 -10.103 1.00 0.00 C ATOM 723 C GLU A 451 -5.797 -26.342 -9.260 1.00 0.00 C ATOM 724 O GLU A 451 -5.303 -27.350 -9.739 1.00 0.00 O ATOM 725 CB GLU A 451 -6.428 -24.093 -10.193 1.00 0.00 C ATOM 726 CG GLU A 451 -6.815 -23.545 -11.568 1.00 0.00 C ATOM 727 CD GLU A 451 -5.877 -22.396 -11.942 1.00 0.00 C ATOM 728 OE1 GLU A 451 -4.804 -22.675 -12.451 1.00 0.00 O ATOM 729 OE2 GLU A 451 -6.249 -21.257 -11.713 1.00 0.00 O ATOM 730 OXT GLU A 451 -5.529 -25.912 -8.150 1.00 0.00 O ATOM 0 H GLU A 451 -8.187 -25.112 -8.529 1.00 0.00 H new ATOM 0 HA GLU A 451 -6.840 -26.043 -11.084 1.00 0.00 H new ATOM 0 HB2 GLU A 451 -6.931 -23.526 -9.410 1.00 0.00 H new ATOM 0 HB3 GLU A 451 -5.356 -23.977 -10.032 1.00 0.00 H new ATOM 0 HG2 GLU A 451 -6.755 -24.335 -12.316 1.00 0.00 H new ATOM 0 HG3 GLU A 451 -7.848 -23.196 -11.555 1.00 0.00 H new