USER MOD reduce.3.24.130724 H: found=0, std=0, add=287, rem=0, adj=10 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 -177:sc= -1.17 USER MOD Set 1.2: A 427 CYS SG : rot 172:sc= -1.93 USER MOD Set 1.3: A 434 HIS : no HE2:sc= -1.08 K(o=-4.3,f=-6.8) USER MOD Set 1.4: A 440 HIS : no HE2:sc= -0.0971 K(o=-4.3,f=-8.1) 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 431 ASN : amide:sc= -0.0193 K(o=-0.019,f=-1) USER MOD Single : A 433 GLN : amide:sc= -3.52! C(o=-3.5!,f=-3.4!) USER MOD Single : A 435 LYS NZ :NH3+ -169:sc= 0 (180deg=-0.0653) USER MOD Single : A 438 TYR OH : rot 180:sc= 0 USER MOD Single : A 441 ASN : amide:sc= -0.681 K(o=-0.68,f=-4.5!) USER MOD Single : A 442 THR OG1 : rot 138:sc= -6.3! USER MOD Single : A 447 ASN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 148 N ASP A 416 0.182 -8.171 -10.205 1.00 0.00 N ATOM 149 CA ASP A 416 1.523 -7.489 -10.304 1.00 0.00 C ATOM 150 C ASP A 416 2.575 -8.056 -9.315 1.00 0.00 C ATOM 151 O ASP A 416 3.604 -7.439 -9.114 1.00 0.00 O ATOM 152 CB ASP A 416 1.265 -6.001 -10.027 1.00 0.00 C ATOM 153 CG ASP A 416 0.397 -5.419 -11.143 1.00 0.00 C ATOM 154 OD1 ASP A 416 0.834 -5.447 -12.282 1.00 0.00 O ATOM 155 OD2 ASP A 416 -0.690 -4.954 -10.841 1.00 0.00 O ATOM 0 HA ASP A 416 1.948 -7.658 -11.293 1.00 0.00 H new ATOM 0 HB2 ASP A 416 0.768 -5.880 -9.064 1.00 0.00 H new ATOM 0 HB3 ASP A 416 2.210 -5.462 -9.968 1.00 0.00 H new ATOM 160 N ASP A 417 2.329 -9.188 -8.659 1.00 0.00 N ATOM 161 CA ASP A 417 3.305 -9.739 -7.663 1.00 0.00 C ATOM 162 C ASP A 417 3.320 -8.811 -6.451 1.00 0.00 C ATOM 163 O ASP A 417 4.367 -8.472 -5.932 1.00 0.00 O ATOM 164 CB ASP A 417 4.684 -9.793 -8.343 1.00 0.00 C ATOM 165 CG ASP A 417 5.446 -11.026 -7.855 1.00 0.00 C ATOM 166 OD1 ASP A 417 6.070 -10.937 -6.811 1.00 0.00 O ATOM 167 OD2 ASP A 417 5.391 -12.038 -8.533 1.00 0.00 O ATOM 0 H ASP A 417 1.485 -9.748 -8.780 1.00 0.00 H new ATOM 0 HA ASP A 417 3.033 -10.741 -7.330 1.00 0.00 H new ATOM 0 HB2 ASP A 417 4.566 -9.830 -9.426 1.00 0.00 H new ATOM 0 HB3 ASP A 417 5.249 -8.889 -8.115 1.00 0.00 H new ATOM 172 N ARG A 418 2.152 -8.384 -5.998 1.00 0.00 N ATOM 173 CA ARG A 418 2.117 -7.463 -4.819 1.00 0.00 C ATOM 174 C ARG A 418 2.264 -8.265 -3.511 1.00 0.00 C ATOM 175 O ARG A 418 1.605 -9.272 -3.338 1.00 0.00 O ATOM 176 CB ARG A 418 0.760 -6.745 -4.848 1.00 0.00 C ATOM 177 CG ARG A 418 0.823 -5.562 -5.818 1.00 0.00 C ATOM 178 CD ARG A 418 -0.162 -4.471 -5.362 1.00 0.00 C ATOM 179 NE ARG A 418 -1.549 -5.035 -5.565 1.00 0.00 N ATOM 180 CZ ARG A 418 -2.597 -4.240 -5.722 1.00 0.00 C ATOM 181 NH1 ARG A 418 -2.486 -2.934 -5.670 1.00 0.00 N ATOM 182 NH2 ARG A 418 -3.780 -4.766 -5.915 1.00 0.00 N ATOM 0 H ARG A 418 1.243 -8.632 -6.390 1.00 0.00 H new ATOM 0 HA ARG A 418 2.937 -6.747 -4.864 1.00 0.00 H new ATOM 0 HB2 ARG A 418 -0.023 -7.438 -5.155 1.00 0.00 H new ATOM 0 HB3 ARG A 418 0.501 -6.395 -3.849 1.00 0.00 H new ATOM 0 HG2 ARG A 418 1.836 -5.161 -5.853 1.00 0.00 H new ATOM 0 HG3 ARG A 418 0.575 -5.892 -6.827 1.00 0.00 H new ATOM 0 HD2 ARG A 418 0.002 -4.212 -4.316 1.00 0.00 H new ATOM 0 HD3 ARG A 418 -0.026 -3.558 -5.942 1.00 0.00 H new ATOM 0 HE ARG A 418 -1.681 -6.046 -5.581 1.00 0.00 H new ATOM 0 HH11 ARG A 418 -1.575 -2.506 -5.505 1.00 0.00 H new ATOM 0 HH12 ARG A 418 -3.311 -2.347 -5.795 1.00 0.00 H new ATOM 0 HH21 ARG A 418 -3.889 -5.780 -5.943 1.00 0.00 H new ATOM 0 HH22 ARG A 418 -4.593 -4.162 -6.037 1.00 0.00 H new ATOM 196 N PRO A 419 3.121 -7.802 -2.625 1.00 0.00 N ATOM 197 CA PRO A 419 3.329 -8.503 -1.342 1.00 0.00 C ATOM 198 C PRO A 419 2.217 -8.176 -0.323 1.00 0.00 C ATOM 199 O PRO A 419 1.281 -8.937 -0.194 1.00 0.00 O ATOM 200 CB PRO A 419 4.707 -8.023 -0.887 1.00 0.00 C ATOM 201 CG PRO A 419 4.920 -6.702 -1.561 1.00 0.00 C ATOM 202 CD PRO A 419 3.967 -6.611 -2.727 1.00 0.00 C ATOM 0 HA PRO A 419 3.285 -9.588 -1.439 1.00 0.00 H new ATOM 0 HB2 PRO A 419 4.747 -7.920 0.197 1.00 0.00 H new ATOM 0 HB3 PRO A 419 5.482 -8.736 -1.169 1.00 0.00 H new ATOM 0 HG2 PRO A 419 4.744 -5.885 -0.861 1.00 0.00 H new ATOM 0 HG3 PRO A 419 5.951 -6.612 -1.904 1.00 0.00 H new ATOM 0 HD2 PRO A 419 3.371 -5.699 -2.679 1.00 0.00 H new ATOM 0 HD3 PRO A 419 4.505 -6.590 -3.675 1.00 0.00 H new ATOM 210 N GLU A 420 2.286 -7.064 0.400 1.00 0.00 N ATOM 211 CA GLU A 420 1.206 -6.719 1.409 1.00 0.00 C ATOM 212 C GLU A 420 1.615 -5.467 2.220 1.00 0.00 C ATOM 213 O GLU A 420 2.449 -5.551 3.101 1.00 0.00 O ATOM 214 CB GLU A 420 1.078 -7.918 2.372 1.00 0.00 C ATOM 215 CG GLU A 420 2.453 -8.302 2.940 1.00 0.00 C ATOM 216 CD GLU A 420 2.591 -9.827 2.966 1.00 0.00 C ATOM 217 OE1 GLU A 420 2.968 -10.385 1.949 1.00 0.00 O ATOM 218 OE2 GLU A 420 2.317 -10.409 4.002 1.00 0.00 O ATOM 0 H GLU A 420 3.042 -6.382 0.335 1.00 0.00 H new ATOM 0 HA GLU A 420 0.265 -6.514 0.899 1.00 0.00 H new ATOM 0 HB2 GLU A 420 0.399 -7.667 3.187 1.00 0.00 H new ATOM 0 HB3 GLU A 420 0.644 -8.769 1.847 1.00 0.00 H new ATOM 0 HG2 GLU A 420 3.244 -7.866 2.330 1.00 0.00 H new ATOM 0 HG3 GLU A 420 2.567 -7.899 3.946 1.00 0.00 H new ATOM 225 N CYS A 421 1.045 -4.310 1.934 1.00 0.00 N ATOM 226 CA CYS A 421 1.428 -3.064 2.706 1.00 0.00 C ATOM 227 C CYS A 421 1.327 -3.309 4.227 1.00 0.00 C ATOM 228 O CYS A 421 0.374 -3.909 4.685 1.00 0.00 O ATOM 229 CB CYS A 421 0.425 -1.972 2.287 1.00 0.00 C ATOM 230 SG CYS A 421 0.830 -0.403 3.099 1.00 0.00 S ATOM 0 H CYS A 421 0.340 -4.172 1.210 1.00 0.00 H new ATOM 0 HA CYS A 421 2.457 -2.775 2.490 1.00 0.00 H new ATOM 0 HB2 CYS A 421 0.446 -1.845 1.205 1.00 0.00 H new ATOM 0 HB3 CYS A 421 -0.587 -2.277 2.553 1.00 0.00 H new ATOM 0 HG CYS A 421 -0.056 0.493 2.778 1.00 0.00 H new ATOM 235 N PRO A 422 2.303 -2.822 4.972 1.00 0.00 N ATOM 236 CA PRO A 422 2.274 -2.994 6.448 1.00 0.00 C ATOM 237 C PRO A 422 1.168 -2.122 7.069 1.00 0.00 C ATOM 238 O PRO A 422 0.517 -2.533 8.012 1.00 0.00 O ATOM 239 CB PRO A 422 3.655 -2.522 6.897 1.00 0.00 C ATOM 240 CG PRO A 422 4.114 -1.594 5.821 1.00 0.00 C ATOM 241 CD PRO A 422 3.503 -2.085 4.535 1.00 0.00 C ATOM 0 HA PRO A 422 2.062 -4.019 6.753 1.00 0.00 H new ATOM 0 HB2 PRO A 422 3.605 -2.015 7.861 1.00 0.00 H new ATOM 0 HB3 PRO A 422 4.341 -3.361 7.013 1.00 0.00 H new ATOM 0 HG2 PRO A 422 3.801 -0.572 6.032 1.00 0.00 H new ATOM 0 HG3 PRO A 422 5.202 -1.587 5.754 1.00 0.00 H new ATOM 0 HD2 PRO A 422 3.245 -1.258 3.874 1.00 0.00 H new ATOM 0 HD3 PRO A 422 4.190 -2.729 3.987 1.00 0.00 H new ATOM 249 N TYR A 423 0.937 -0.929 6.549 1.00 0.00 N ATOM 250 CA TYR A 423 -0.151 -0.055 7.131 1.00 0.00 C ATOM 251 C TYR A 423 -1.498 -0.808 7.135 1.00 0.00 C ATOM 252 O TYR A 423 -2.251 -0.719 8.086 1.00 0.00 O ATOM 253 CB TYR A 423 -0.219 1.206 6.242 1.00 0.00 C ATOM 254 CG TYR A 423 1.087 1.963 6.332 1.00 0.00 C ATOM 255 CD1 TYR A 423 1.692 2.195 7.603 1.00 0.00 C ATOM 256 CD2 TYR A 423 1.699 2.471 5.149 1.00 0.00 C ATOM 257 CE1 TYR A 423 2.905 2.925 7.691 1.00 0.00 C ATOM 258 CE2 TYR A 423 2.914 3.203 5.245 1.00 0.00 C ATOM 259 CZ TYR A 423 3.516 3.426 6.516 1.00 0.00 C ATOM 260 OH TYR A 423 4.695 4.130 6.608 1.00 0.00 O ATOM 0 H TYR A 423 1.444 -0.527 5.761 1.00 0.00 H new ATOM 0 HA TYR A 423 0.062 0.214 8.165 1.00 0.00 H new ATOM 0 HB2 TYR A 423 -0.416 0.924 5.208 1.00 0.00 H new ATOM 0 HB3 TYR A 423 -1.043 1.844 6.561 1.00 0.00 H new ATOM 0 HD1 TYR A 423 1.226 1.814 8.500 1.00 0.00 H new ATOM 0 HD2 TYR A 423 1.242 2.301 4.185 1.00 0.00 H new ATOM 0 HE1 TYR A 423 3.362 3.099 8.654 1.00 0.00 H new ATOM 0 HE2 TYR A 423 3.381 3.591 4.352 1.00 0.00 H new ATOM 0 HH TYR A 423 4.984 4.403 5.712 1.00 0.00 H new ATOM 270 N GLY A 424 -1.798 -1.566 6.097 1.00 0.00 N ATOM 271 CA GLY A 424 -3.084 -2.336 6.080 1.00 0.00 C ATOM 272 C GLY A 424 -4.229 -1.478 5.512 1.00 0.00 C ATOM 273 O GLY A 424 -4.015 -0.688 4.616 1.00 0.00 O ATOM 0 H GLY A 424 -1.211 -1.681 5.271 1.00 0.00 H new ATOM 0 HA2 GLY A 424 -2.966 -3.237 5.478 1.00 0.00 H new ATOM 0 HA3 GLY A 424 -3.333 -2.659 7.091 1.00 0.00 H new ATOM 277 N PRO A 425 -5.425 -1.669 6.046 1.00 0.00 N ATOM 278 CA PRO A 425 -6.608 -0.904 5.561 1.00 0.00 C ATOM 279 C PRO A 425 -6.523 0.587 5.950 1.00 0.00 C ATOM 280 O PRO A 425 -7.055 1.433 5.255 1.00 0.00 O ATOM 281 CB PRO A 425 -7.785 -1.576 6.265 1.00 0.00 C ATOM 282 CG PRO A 425 -7.195 -2.196 7.488 1.00 0.00 C ATOM 283 CD PRO A 425 -5.792 -2.597 7.133 1.00 0.00 C ATOM 0 HA PRO A 425 -6.690 -0.917 4.474 1.00 0.00 H new ATOM 0 HB2 PRO A 425 -8.558 -0.852 6.522 1.00 0.00 H new ATOM 0 HB3 PRO A 425 -8.251 -2.327 5.627 1.00 0.00 H new ATOM 0 HG2 PRO A 425 -7.198 -1.491 8.319 1.00 0.00 H new ATOM 0 HG3 PRO A 425 -7.777 -3.062 7.803 1.00 0.00 H new ATOM 0 HD2 PRO A 425 -5.120 -2.500 7.986 1.00 0.00 H new ATOM 0 HD3 PRO A 425 -5.743 -3.636 6.806 1.00 0.00 H new ATOM 291 N SER A 426 -5.864 0.926 7.044 1.00 0.00 N ATOM 292 CA SER A 426 -5.763 2.369 7.445 1.00 0.00 C ATOM 293 C SER A 426 -4.461 2.966 6.894 1.00 0.00 C ATOM 294 O SER A 426 -3.657 3.510 7.628 1.00 0.00 O ATOM 295 CB SER A 426 -5.762 2.389 8.979 1.00 0.00 C ATOM 296 OG SER A 426 -7.094 2.239 9.451 1.00 0.00 O ATOM 0 H SER A 426 -5.397 0.269 7.669 1.00 0.00 H new ATOM 0 HA SER A 426 -6.589 2.960 7.050 1.00 0.00 H new ATOM 0 HB2 SER A 426 -5.135 1.585 9.364 1.00 0.00 H new ATOM 0 HB3 SER A 426 -5.339 3.326 9.342 1.00 0.00 H new ATOM 0 HG SER A 426 -7.097 2.250 10.431 1.00 0.00 H new ATOM 302 N CYS A 427 -4.247 2.867 5.600 1.00 0.00 N ATOM 303 CA CYS A 427 -2.996 3.429 4.996 1.00 0.00 C ATOM 304 C CYS A 427 -3.190 4.914 4.648 1.00 0.00 C ATOM 305 O CYS A 427 -3.732 5.253 3.613 1.00 0.00 O ATOM 306 CB CYS A 427 -2.718 2.616 3.725 1.00 0.00 C ATOM 307 SG CYS A 427 -1.063 3.019 3.123 1.00 0.00 S ATOM 0 H CYS A 427 -4.884 2.422 4.939 1.00 0.00 H new ATOM 0 HA CYS A 427 -2.161 3.364 5.694 1.00 0.00 H new ATOM 0 HB2 CYS A 427 -2.793 1.549 3.936 1.00 0.00 H new ATOM 0 HB3 CYS A 427 -3.462 2.843 2.962 1.00 0.00 H new ATOM 0 HG CYS A 427 -0.752 2.223 2.144 1.00 0.00 H new ATOM 312 N TYR A 428 -2.735 5.801 5.506 1.00 0.00 N ATOM 313 CA TYR A 428 -2.870 7.282 5.230 1.00 0.00 C ATOM 314 C TYR A 428 -2.010 7.724 4.002 1.00 0.00 C ATOM 315 O TYR A 428 -2.169 8.834 3.526 1.00 0.00 O ATOM 316 CB TYR A 428 -2.446 8.024 6.554 1.00 0.00 C ATOM 317 CG TYR A 428 -1.261 8.955 6.337 1.00 0.00 C ATOM 318 CD1 TYR A 428 -1.475 10.248 5.789 1.00 0.00 C ATOM 319 CD2 TYR A 428 0.063 8.527 6.650 1.00 0.00 C ATOM 320 CE1 TYR A 428 -0.373 11.112 5.551 1.00 0.00 C ATOM 321 CE2 TYR A 428 1.156 9.391 6.414 1.00 0.00 C ATOM 322 CZ TYR A 428 0.943 10.682 5.862 1.00 0.00 C ATOM 323 OH TYR A 428 2.016 11.520 5.631 1.00 0.00 O ATOM 0 H TYR A 428 -2.275 5.569 6.387 1.00 0.00 H new ATOM 0 HA TYR A 428 -3.896 7.537 4.962 1.00 0.00 H new ATOM 0 HB2 TYR A 428 -3.292 8.597 6.934 1.00 0.00 H new ATOM 0 HB3 TYR A 428 -2.192 7.287 7.316 1.00 0.00 H new ATOM 0 HD1 TYR A 428 -2.477 10.575 5.553 1.00 0.00 H new ATOM 0 HD2 TYR A 428 0.230 7.545 7.067 1.00 0.00 H new ATOM 0 HE1 TYR A 428 -0.536 12.095 5.134 1.00 0.00 H new ATOM 0 HE2 TYR A 428 2.158 9.068 6.655 1.00 0.00 H new ATOM 0 HH TYR A 428 2.845 11.072 5.900 1.00 0.00 H new ATOM 333 N ARG A 429 -1.117 6.894 3.484 1.00 0.00 N ATOM 334 CA ARG A 429 -0.300 7.333 2.303 1.00 0.00 C ATOM 335 C ARG A 429 -0.899 6.780 0.998 1.00 0.00 C ATOM 336 O ARG A 429 -1.383 5.664 0.956 1.00 0.00 O ATOM 337 CB ARG A 429 1.132 6.800 2.527 1.00 0.00 C ATOM 338 CG ARG A 429 1.156 5.264 2.544 1.00 0.00 C ATOM 339 CD ARG A 429 2.592 4.770 2.315 1.00 0.00 C ATOM 340 NE ARG A 429 3.034 5.318 0.980 1.00 0.00 N ATOM 341 CZ ARG A 429 4.320 5.406 0.673 1.00 0.00 C ATOM 342 NH1 ARG A 429 5.252 4.982 1.496 1.00 0.00 N ATOM 343 NH2 ARG A 429 4.677 5.911 -0.478 1.00 0.00 N ATOM 0 H ARG A 429 -0.926 5.952 3.824 1.00 0.00 H new ATOM 0 HA ARG A 429 -0.293 8.419 2.212 1.00 0.00 H new ATOM 0 HB2 ARG A 429 1.788 7.168 1.738 1.00 0.00 H new ATOM 0 HB3 ARG A 429 1.522 7.183 3.470 1.00 0.00 H new ATOM 0 HG2 ARG A 429 0.781 4.895 3.499 1.00 0.00 H new ATOM 0 HG3 ARG A 429 0.497 4.871 1.769 1.00 0.00 H new ATOM 0 HD2 ARG A 429 3.251 5.115 3.112 1.00 0.00 H new ATOM 0 HD3 ARG A 429 2.631 3.681 2.318 1.00 0.00 H new ATOM 0 HE ARG A 429 2.333 5.625 0.305 1.00 0.00 H new ATOM 0 HH11 ARG A 429 4.992 4.574 2.394 1.00 0.00 H new ATOM 0 HH12 ARG A 429 6.235 5.061 1.237 1.00 0.00 H new ATOM 0 HH21 ARG A 429 3.967 6.235 -1.135 1.00 0.00 H new ATOM 0 HH22 ARG A 429 5.665 5.981 -0.720 1.00 0.00 H new ATOM 357 N LYS A 430 -0.875 7.556 -0.067 1.00 0.00 N ATOM 358 CA LYS A 430 -1.441 7.072 -1.359 1.00 0.00 C ATOM 359 C LYS A 430 -0.570 7.554 -2.527 1.00 0.00 C ATOM 360 O LYS A 430 -0.838 8.578 -3.126 1.00 0.00 O ATOM 361 CB LYS A 430 -2.839 7.685 -1.438 1.00 0.00 C ATOM 362 CG LYS A 430 -3.663 6.939 -2.489 1.00 0.00 C ATOM 363 CD LYS A 430 -4.435 5.800 -1.819 1.00 0.00 C ATOM 364 CE LYS A 430 -5.736 5.550 -2.584 1.00 0.00 C ATOM 365 NZ LYS A 430 -6.743 6.431 -1.929 1.00 0.00 N ATOM 0 H LYS A 430 -0.488 8.499 -0.090 1.00 0.00 H new ATOM 0 HA LYS A 430 -1.475 5.984 -1.415 1.00 0.00 H new ATOM 0 HB2 LYS A 430 -3.329 7.626 -0.466 1.00 0.00 H new ATOM 0 HB3 LYS A 430 -2.771 8.742 -1.697 1.00 0.00 H new ATOM 0 HG2 LYS A 430 -4.356 7.624 -2.977 1.00 0.00 H new ATOM 0 HG3 LYS A 430 -3.008 6.542 -3.265 1.00 0.00 H new ATOM 0 HD2 LYS A 430 -3.829 4.894 -1.804 1.00 0.00 H new ATOM 0 HD3 LYS A 430 -4.653 6.054 -0.782 1.00 0.00 H new ATOM 0 HE2 LYS A 430 -5.626 5.794 -3.641 1.00 0.00 H new ATOM 0 HE3 LYS A 430 -6.032 4.502 -2.528 1.00 0.00 H new ATOM 0 HZ1 LYS A 430 -7.663 6.315 -2.399 1.00 0.00 H new ATOM 0 HZ2 LYS A 430 -6.831 6.171 -0.926 1.00 0.00 H new ATOM 0 HZ3 LYS A 430 -6.438 7.422 -2.004 1.00 0.00 H new ATOM 379 N ASN A 431 0.471 6.820 -2.859 1.00 0.00 N ATOM 380 CA ASN A 431 1.356 7.238 -3.991 1.00 0.00 C ATOM 381 C ASN A 431 1.115 6.325 -5.199 1.00 0.00 C ATOM 382 O ASN A 431 0.429 5.329 -5.080 1.00 0.00 O ATOM 383 CB ASN A 431 2.787 7.068 -3.470 1.00 0.00 C ATOM 384 CG ASN A 431 3.284 8.392 -2.878 1.00 0.00 C ATOM 385 OD1 ASN A 431 2.491 9.220 -2.474 1.00 0.00 O ATOM 386 ND2 ASN A 431 4.570 8.634 -2.807 1.00 0.00 N ATOM 0 H ASN A 431 0.742 5.953 -2.395 1.00 0.00 H new ATOM 0 HA ASN A 431 1.164 8.262 -4.312 1.00 0.00 H new ATOM 0 HB2 ASN A 431 2.817 6.286 -2.712 1.00 0.00 H new ATOM 0 HB3 ASN A 431 3.444 6.752 -4.280 1.00 0.00 H new ATOM 0 HD21 ASN A 431 4.902 9.515 -2.414 1.00 0.00 H new ATOM 0 HD22 ASN A 431 5.239 7.942 -3.145 1.00 0.00 H new ATOM 393 N PRO A 432 1.686 6.676 -6.331 1.00 0.00 N ATOM 394 CA PRO A 432 1.506 5.837 -7.538 1.00 0.00 C ATOM 395 C PRO A 432 2.263 4.508 -7.379 1.00 0.00 C ATOM 396 O PRO A 432 1.699 3.448 -7.579 1.00 0.00 O ATOM 397 CB PRO A 432 2.076 6.693 -8.668 1.00 0.00 C ATOM 398 CG PRO A 432 3.030 7.637 -8.007 1.00 0.00 C ATOM 399 CD PRO A 432 2.537 7.850 -6.598 1.00 0.00 C ATOM 0 HA PRO A 432 0.468 5.561 -7.726 1.00 0.00 H new ATOM 0 HB2 PRO A 432 2.583 6.077 -9.410 1.00 0.00 H new ATOM 0 HB3 PRO A 432 1.286 7.233 -9.189 1.00 0.00 H new ATOM 0 HG2 PRO A 432 4.039 7.226 -8.004 1.00 0.00 H new ATOM 0 HG3 PRO A 432 3.073 8.583 -8.547 1.00 0.00 H new ATOM 0 HD2 PRO A 432 3.365 7.911 -5.891 1.00 0.00 H new ATOM 0 HD3 PRO A 432 1.973 8.779 -6.509 1.00 0.00 H new ATOM 407 N GLN A 433 3.530 4.548 -7.022 1.00 0.00 N ATOM 408 CA GLN A 433 4.299 3.276 -6.857 1.00 0.00 C ATOM 409 C GLN A 433 3.924 2.539 -5.542 1.00 0.00 C ATOM 410 O GLN A 433 4.205 1.364 -5.405 1.00 0.00 O ATOM 411 CB GLN A 433 5.797 3.656 -6.904 1.00 0.00 C ATOM 412 CG GLN A 433 6.224 4.437 -5.645 1.00 0.00 C ATOM 413 CD GLN A 433 6.395 3.480 -4.463 1.00 0.00 C ATOM 414 OE1 GLN A 433 5.857 3.718 -3.401 1.00 0.00 O ATOM 415 NE2 GLN A 433 7.115 2.399 -4.592 1.00 0.00 N ATOM 0 H GLN A 433 4.058 5.402 -6.840 1.00 0.00 H new ATOM 0 HA GLN A 433 4.058 2.573 -7.655 1.00 0.00 H new ATOM 0 HB2 GLN A 433 6.400 2.752 -6.994 1.00 0.00 H new ATOM 0 HB3 GLN A 433 5.992 4.259 -7.791 1.00 0.00 H new ATOM 0 HG2 GLN A 433 7.159 4.964 -5.834 1.00 0.00 H new ATOM 0 HG3 GLN A 433 5.476 5.193 -5.405 1.00 0.00 H new ATOM 0 HE21 GLN A 433 7.570 2.192 -5.481 1.00 0.00 H new ATOM 0 HE22 GLN A 433 7.223 1.761 -3.804 1.00 0.00 H new ATOM 424 N HIS A 434 3.298 3.200 -4.574 1.00 0.00 N ATOM 425 CA HIS A 434 2.933 2.482 -3.292 1.00 0.00 C ATOM 426 C HIS A 434 1.713 1.555 -3.504 1.00 0.00 C ATOM 427 O HIS A 434 1.581 0.557 -2.817 1.00 0.00 O ATOM 428 CB HIS A 434 2.627 3.558 -2.232 1.00 0.00 C ATOM 429 CG HIS A 434 2.239 2.883 -0.937 1.00 0.00 C ATOM 430 ND1 HIS A 434 3.149 2.161 -0.171 1.00 0.00 N ATOM 431 CD2 HIS A 434 1.029 2.747 -0.304 1.00 0.00 C ATOM 432 CE1 HIS A 434 2.466 1.618 0.859 1.00 0.00 C ATOM 433 NE2 HIS A 434 1.176 1.947 0.815 1.00 0.00 N ATOM 0 H HIS A 434 3.030 4.183 -4.616 1.00 0.00 H new ATOM 0 HA HIS A 434 3.758 1.849 -2.965 1.00 0.00 H new ATOM 0 HB2 HIS A 434 3.500 4.193 -2.078 1.00 0.00 H new ATOM 0 HB3 HIS A 434 1.819 4.205 -2.575 1.00 0.00 H new ATOM 0 HD1 HIS A 434 4.147 2.061 -0.354 1.00 0.00 H new ATOM 0 HD2 HIS A 434 0.103 3.196 -0.630 1.00 0.00 H new ATOM 0 HE1 HIS A 434 2.909 0.996 1.622 1.00 0.00 H new ATOM 441 N LYS A 435 0.856 1.826 -4.472 1.00 0.00 N ATOM 442 CA LYS A 435 -0.296 0.886 -4.722 1.00 0.00 C ATOM 443 C LYS A 435 0.208 -0.318 -5.559 1.00 0.00 C ATOM 444 O LYS A 435 -0.369 -1.387 -5.524 1.00 0.00 O ATOM 445 CB LYS A 435 -1.363 1.677 -5.503 1.00 0.00 C ATOM 446 CG LYS A 435 -2.379 2.288 -4.524 1.00 0.00 C ATOM 447 CD LYS A 435 -2.251 3.816 -4.519 1.00 0.00 C ATOM 448 CE LYS A 435 -2.595 4.368 -5.906 1.00 0.00 C ATOM 449 NZ LYS A 435 -4.039 4.728 -5.830 1.00 0.00 N ATOM 0 H LYS A 435 0.902 2.639 -5.087 1.00 0.00 H new ATOM 0 HA LYS A 435 -0.715 0.505 -3.791 1.00 0.00 H new ATOM 0 HB2 LYS A 435 -0.889 2.465 -6.088 1.00 0.00 H new ATOM 0 HB3 LYS A 435 -1.873 1.020 -6.207 1.00 0.00 H new ATOM 0 HG2 LYS A 435 -3.391 2.001 -4.811 1.00 0.00 H new ATOM 0 HG3 LYS A 435 -2.209 1.898 -3.521 1.00 0.00 H new ATOM 0 HD2 LYS A 435 -2.918 4.244 -3.771 1.00 0.00 H new ATOM 0 HD3 LYS A 435 -1.237 4.105 -4.244 1.00 0.00 H new ATOM 0 HE2 LYS A 435 -1.984 5.237 -6.148 1.00 0.00 H new ATOM 0 HE3 LYS A 435 -2.414 3.625 -6.683 1.00 0.00 H new ATOM 0 HZ1 LYS A 435 -4.396 4.936 -6.784 1.00 0.00 H new ATOM 0 HZ2 LYS A 435 -4.574 3.933 -5.426 1.00 0.00 H new ATOM 0 HZ3 LYS A 435 -4.156 5.566 -5.226 1.00 0.00 H new ATOM 463 N ILE A 436 1.314 -0.157 -6.274 1.00 0.00 N ATOM 464 CA ILE A 436 1.876 -1.308 -7.064 1.00 0.00 C ATOM 465 C ILE A 436 2.956 -2.035 -6.226 1.00 0.00 C ATOM 466 O ILE A 436 3.092 -3.241 -6.321 1.00 0.00 O ATOM 467 CB ILE A 436 2.414 -0.765 -8.442 1.00 0.00 C ATOM 468 CG1 ILE A 436 3.507 -1.704 -9.021 1.00 0.00 C ATOM 469 CG2 ILE A 436 2.962 0.668 -8.353 1.00 0.00 C ATOM 470 CD1 ILE A 436 4.889 -1.407 -8.399 1.00 0.00 C ATOM 0 H ILE A 436 1.842 0.713 -6.341 1.00 0.00 H new ATOM 0 HA ILE A 436 1.107 -2.048 -7.286 1.00 0.00 H new ATOM 0 HB ILE A 436 1.554 -0.745 -9.111 1.00 0.00 H new ATOM 0 HG12 ILE A 436 3.236 -2.742 -8.830 1.00 0.00 H new ATOM 0 HG13 ILE A 436 3.559 -1.582 -10.103 1.00 0.00 H new ATOM 0 HG21 ILE A 436 3.317 0.983 -9.334 1.00 0.00 H new ATOM 0 HG22 ILE A 436 2.171 1.340 -8.020 1.00 0.00 H new ATOM 0 HG23 ILE A 436 3.787 0.698 -7.642 1.00 0.00 H new ATOM 0 HD11 ILE A 436 5.632 -2.081 -8.825 1.00 0.00 H new ATOM 0 HD12 ILE A 436 5.170 -0.376 -8.612 1.00 0.00 H new ATOM 0 HD13 ILE A 436 4.842 -1.554 -7.320 1.00 0.00 H new ATOM 482 N GLU A 437 3.718 -1.330 -5.405 1.00 0.00 N ATOM 483 CA GLU A 437 4.764 -2.038 -4.579 1.00 0.00 C ATOM 484 C GLU A 437 4.094 -2.879 -3.486 1.00 0.00 C ATOM 485 O GLU A 437 4.527 -3.977 -3.212 1.00 0.00 O ATOM 486 CB GLU A 437 5.662 -0.963 -3.932 1.00 0.00 C ATOM 487 CG GLU A 437 6.970 -0.839 -4.723 1.00 0.00 C ATOM 488 CD GLU A 437 8.150 -0.710 -3.756 1.00 0.00 C ATOM 489 OE1 GLU A 437 8.381 -1.643 -3.005 1.00 0.00 O ATOM 490 OE2 GLU A 437 8.801 0.321 -3.784 1.00 0.00 O ATOM 0 H GLU A 437 3.663 -0.320 -5.274 1.00 0.00 H new ATOM 0 HA GLU A 437 5.354 -2.703 -5.209 1.00 0.00 H new ATOM 0 HB2 GLU A 437 5.144 -0.004 -3.915 1.00 0.00 H new ATOM 0 HB3 GLU A 437 5.875 -1.228 -2.897 1.00 0.00 H new ATOM 0 HG2 GLU A 437 7.104 -1.713 -5.361 1.00 0.00 H new ATOM 0 HG3 GLU A 437 6.928 0.031 -5.379 1.00 0.00 H new ATOM 497 N TYR A 438 3.049 -2.376 -2.858 1.00 0.00 N ATOM 498 CA TYR A 438 2.369 -3.158 -1.790 1.00 0.00 C ATOM 499 C TYR A 438 0.855 -3.161 -2.035 1.00 0.00 C ATOM 500 O TYR A 438 0.329 -2.274 -2.679 1.00 0.00 O ATOM 501 CB TYR A 438 2.709 -2.427 -0.491 1.00 0.00 C ATOM 502 CG TYR A 438 4.198 -2.505 -0.248 1.00 0.00 C ATOM 503 CD1 TYR A 438 4.774 -3.703 0.258 1.00 0.00 C ATOM 504 CD2 TYR A 438 5.022 -1.382 -0.527 1.00 0.00 C ATOM 505 CE1 TYR A 438 6.175 -3.774 0.485 1.00 0.00 C ATOM 506 CE2 TYR A 438 6.423 -1.455 -0.300 1.00 0.00 C ATOM 507 CZ TYR A 438 6.999 -2.651 0.207 1.00 0.00 C ATOM 508 OH TYR A 438 8.360 -2.722 0.424 1.00 0.00 O ATOM 0 H TYR A 438 2.645 -1.458 -3.046 1.00 0.00 H new ATOM 0 HA TYR A 438 2.689 -4.200 -1.761 1.00 0.00 H new ATOM 0 HB2 TYR A 438 2.393 -1.386 -0.553 1.00 0.00 H new ATOM 0 HB3 TYR A 438 2.169 -2.874 0.343 1.00 0.00 H new ATOM 0 HD1 TYR A 438 4.148 -4.557 0.469 1.00 0.00 H new ATOM 0 HD2 TYR A 438 4.584 -0.473 -0.912 1.00 0.00 H new ATOM 0 HE1 TYR A 438 6.614 -4.683 0.869 1.00 0.00 H new ATOM 0 HE2 TYR A 438 7.050 -0.602 -0.513 1.00 0.00 H new ATOM 0 HH TYR A 438 8.775 -1.868 0.181 1.00 0.00 H new ATOM 518 N ARG A 439 0.147 -4.138 -1.514 1.00 0.00 N ATOM 519 CA ARG A 439 -1.337 -4.175 -1.704 1.00 0.00 C ATOM 520 C ARG A 439 -2.027 -4.038 -0.339 1.00 0.00 C ATOM 521 O ARG A 439 -1.421 -4.289 0.687 1.00 0.00 O ATOM 522 CB ARG A 439 -1.663 -5.531 -2.346 1.00 0.00 C ATOM 523 CG ARG A 439 -1.144 -6.677 -1.476 1.00 0.00 C ATOM 524 CD ARG A 439 -2.002 -7.917 -1.708 1.00 0.00 C ATOM 525 NE ARG A 439 -1.583 -8.884 -0.648 1.00 0.00 N ATOM 526 CZ ARG A 439 -1.887 -8.689 0.626 1.00 0.00 C ATOM 527 NH1 ARG A 439 -2.571 -7.638 1.018 1.00 0.00 N ATOM 528 NH2 ARG A 439 -1.510 -9.566 1.519 1.00 0.00 N ATOM 0 H ARG A 439 0.533 -4.908 -0.968 1.00 0.00 H new ATOM 0 HA ARG A 439 -1.687 -3.360 -2.337 1.00 0.00 H new ATOM 0 HB2 ARG A 439 -2.741 -5.627 -2.479 1.00 0.00 H new ATOM 0 HB3 ARG A 439 -1.214 -5.588 -3.337 1.00 0.00 H new ATOM 0 HG2 ARG A 439 -0.103 -6.891 -1.719 1.00 0.00 H new ATOM 0 HG3 ARG A 439 -1.174 -6.392 -0.424 1.00 0.00 H new ATOM 0 HD2 ARG A 439 -3.064 -7.682 -1.630 1.00 0.00 H new ATOM 0 HD3 ARG A 439 -1.839 -8.329 -2.704 1.00 0.00 H new ATOM 0 HE ARG A 439 -1.051 -9.713 -0.912 1.00 0.00 H new ATOM 0 HH11 ARG A 439 -2.882 -6.948 0.334 1.00 0.00 H new ATOM 0 HH12 ARG A 439 -2.791 -7.512 2.006 1.00 0.00 H new ATOM 0 HH21 ARG A 439 -0.986 -10.393 1.232 1.00 0.00 H new ATOM 0 HH22 ARG A 439 -1.740 -9.424 2.502 1.00 0.00 H new ATOM 542 N HIS A 440 -3.272 -3.610 -0.309 1.00 0.00 N ATOM 543 CA HIS A 440 -3.966 -3.426 1.014 1.00 0.00 C ATOM 544 C HIS A 440 -5.105 -4.446 1.249 1.00 0.00 C ATOM 545 O HIS A 440 -5.472 -4.693 2.384 1.00 0.00 O ATOM 546 CB HIS A 440 -4.515 -1.990 0.970 1.00 0.00 C ATOM 547 CG HIS A 440 -3.365 -1.033 0.780 1.00 0.00 C ATOM 548 ND1 HIS A 440 -2.849 -0.748 -0.476 1.00 0.00 N ATOM 549 CD2 HIS A 440 -2.574 -0.347 1.672 1.00 0.00 C ATOM 550 CE1 HIS A 440 -1.789 0.064 -0.306 1.00 0.00 C ATOM 551 NE2 HIS A 440 -1.584 0.339 0.984 1.00 0.00 N ATOM 0 H HIS A 440 -3.832 -3.383 -1.131 1.00 0.00 H new ATOM 0 HA HIS A 440 -3.275 -3.592 1.840 1.00 0.00 H new ATOM 0 HB2 HIS A 440 -5.231 -1.885 0.155 1.00 0.00 H new ATOM 0 HB3 HIS A 440 -5.047 -1.761 1.893 1.00 0.00 H new ATOM 0 HD1 HIS A 440 -3.208 -1.092 -1.367 1.00 0.00 H new ATOM 0 HD2 HIS A 440 -2.704 -0.343 2.744 1.00 0.00 H new ATOM 0 HE1 HIS A 440 -1.180 0.445 -1.113 1.00 0.00 H new ATOM 559 N ASN A 441 -5.688 -5.025 0.217 1.00 0.00 N ATOM 560 CA ASN A 441 -6.816 -6.000 0.447 1.00 0.00 C ATOM 561 C ASN A 441 -6.593 -7.366 -0.247 1.00 0.00 C ATOM 562 O ASN A 441 -6.919 -8.393 0.316 1.00 0.00 O ATOM 563 CB ASN A 441 -8.067 -5.319 -0.117 1.00 0.00 C ATOM 564 CG ASN A 441 -7.885 -5.029 -1.611 1.00 0.00 C ATOM 565 OD1 ASN A 441 -8.253 -5.835 -2.440 1.00 0.00 O ATOM 566 ND2 ASN A 441 -7.329 -3.908 -2.000 1.00 0.00 N ATOM 0 H ASN A 441 -5.438 -4.869 -0.759 1.00 0.00 H new ATOM 0 HA ASN A 441 -6.898 -6.229 1.510 1.00 0.00 H new ATOM 0 HB2 ASN A 441 -8.937 -5.958 0.033 1.00 0.00 H new ATOM 0 HB3 ASN A 441 -8.258 -4.390 0.420 1.00 0.00 H new ATOM 0 HD21 ASN A 441 -7.208 -3.717 -2.995 1.00 0.00 H new ATOM 0 HD22 ASN A 441 -7.018 -3.226 -1.308 1.00 0.00 H new ATOM 573 N THR A 442 -6.058 -7.406 -1.460 1.00 0.00 N ATOM 574 CA THR A 442 -5.838 -8.713 -2.172 1.00 0.00 C ATOM 575 C THR A 442 -7.178 -9.387 -2.521 1.00 0.00 C ATOM 576 O THR A 442 -7.573 -10.352 -1.893 1.00 0.00 O ATOM 577 CB THR A 442 -5.014 -9.603 -1.226 1.00 0.00 C ATOM 578 OG1 THR A 442 -4.368 -8.787 -0.256 1.00 0.00 O ATOM 579 CG2 THR A 442 -3.965 -10.371 -2.034 1.00 0.00 C ATOM 0 H THR A 442 -5.765 -6.582 -1.985 1.00 0.00 H new ATOM 0 HA THR A 442 -5.313 -8.552 -3.113 1.00 0.00 H new ATOM 0 HB THR A 442 -5.672 -10.312 -0.723 1.00 0.00 H new ATOM 0 HG1 THR A 442 -4.430 -9.214 0.624 1.00 0.00 H new ATOM 0 HG21 THR A 442 -3.380 -11.002 -1.365 1.00 0.00 H new ATOM 0 HG22 THR A 442 -4.463 -10.994 -2.777 1.00 0.00 H new ATOM 0 HG23 THR A 442 -3.304 -9.665 -2.536 1.00 0.00 H new ATOM 587 N LEU A 443 -7.878 -8.894 -3.525 1.00 0.00 N ATOM 588 CA LEU A 443 -9.182 -9.518 -3.911 1.00 0.00 C ATOM 589 C LEU A 443 -9.182 -9.873 -5.408 1.00 0.00 C ATOM 590 O LEU A 443 -8.499 -9.238 -6.185 1.00 0.00 O ATOM 591 CB LEU A 443 -10.233 -8.446 -3.623 1.00 0.00 C ATOM 592 CG LEU A 443 -10.910 -8.735 -2.283 1.00 0.00 C ATOM 593 CD1 LEU A 443 -10.136 -8.042 -1.161 1.00 0.00 C ATOM 594 CD2 LEU A 443 -12.345 -8.204 -2.318 1.00 0.00 C ATOM 0 H LEU A 443 -7.599 -8.090 -4.088 1.00 0.00 H new ATOM 0 HA LEU A 443 -9.373 -10.441 -3.363 1.00 0.00 H new ATOM 0 HB2 LEU A 443 -9.766 -7.462 -3.600 1.00 0.00 H new ATOM 0 HB3 LEU A 443 -10.976 -8.428 -4.420 1.00 0.00 H new ATOM 0 HG LEU A 443 -10.922 -9.810 -2.103 1.00 0.00 H new ATOM 0 HD11 LEU A 443 -10.618 -8.248 -0.205 1.00 0.00 H new ATOM 0 HD12 LEU A 443 -9.113 -8.417 -1.139 1.00 0.00 H new ATOM 0 HD13 LEU A 443 -10.124 -6.966 -1.337 1.00 0.00 H new ATOM 0 HD21 LEU A 443 -12.832 -8.408 -1.364 1.00 0.00 H new ATOM 0 HD22 LEU A 443 -12.331 -7.129 -2.496 1.00 0.00 H new ATOM 0 HD23 LEU A 443 -12.896 -8.697 -3.119 1.00 0.00 H new ATOM 606 N PRO A 444 -9.955 -10.877 -5.774 1.00 0.00 N ATOM 607 CA PRO A 444 -10.026 -11.289 -7.198 1.00 0.00 C ATOM 608 C PRO A 444 -10.808 -10.251 -8.015 1.00 0.00 C ATOM 609 O PRO A 444 -11.487 -9.408 -7.459 1.00 0.00 O ATOM 610 CB PRO A 444 -10.770 -12.623 -7.155 1.00 0.00 C ATOM 611 CG PRO A 444 -11.575 -12.576 -5.896 1.00 0.00 C ATOM 612 CD PRO A 444 -10.820 -11.711 -4.920 1.00 0.00 C ATOM 0 HA PRO A 444 -9.046 -11.372 -7.668 1.00 0.00 H new ATOM 0 HB2 PRO A 444 -11.410 -12.746 -8.029 1.00 0.00 H new ATOM 0 HB3 PRO A 444 -10.075 -13.463 -7.148 1.00 0.00 H new ATOM 0 HG2 PRO A 444 -12.566 -12.166 -6.088 1.00 0.00 H new ATOM 0 HG3 PRO A 444 -11.718 -13.578 -5.492 1.00 0.00 H new ATOM 0 HD2 PRO A 444 -11.497 -11.101 -4.322 1.00 0.00 H new ATOM 0 HD3 PRO A 444 -10.234 -12.312 -4.225 1.00 0.00 H new ATOM 620 N VAL A 445 -10.724 -10.303 -9.330 1.00 0.00 N ATOM 621 CA VAL A 445 -11.470 -9.313 -10.164 1.00 0.00 C ATOM 622 C VAL A 445 -12.107 -10.021 -11.369 1.00 0.00 C ATOM 623 O VAL A 445 -11.972 -9.581 -12.495 1.00 0.00 O ATOM 624 CB VAL A 445 -10.421 -8.291 -10.621 1.00 0.00 C ATOM 625 CG1 VAL A 445 -11.095 -7.204 -11.463 1.00 0.00 C ATOM 626 CG2 VAL A 445 -9.763 -7.644 -9.399 1.00 0.00 C ATOM 0 H VAL A 445 -10.174 -10.985 -9.852 1.00 0.00 H new ATOM 0 HA VAL A 445 -12.278 -8.832 -9.613 1.00 0.00 H new ATOM 0 HB VAL A 445 -9.663 -8.800 -11.217 1.00 0.00 H new ATOM 0 HG11 VAL A 445 -10.348 -6.479 -11.787 1.00 0.00 H new ATOM 0 HG12 VAL A 445 -11.562 -7.658 -12.337 1.00 0.00 H new ATOM 0 HG13 VAL A 445 -11.855 -6.700 -10.866 1.00 0.00 H new ATOM 0 HG21 VAL A 445 -9.019 -6.919 -9.728 1.00 0.00 H new ATOM 0 HG22 VAL A 445 -10.522 -7.139 -8.802 1.00 0.00 H new ATOM 0 HG23 VAL A 445 -9.279 -8.413 -8.797 1.00 0.00 H new ATOM 636 N ARG A 446 -12.811 -11.111 -11.141 1.00 0.00 N ATOM 637 CA ARG A 446 -13.473 -11.849 -12.279 1.00 0.00 C ATOM 638 C ARG A 446 -14.246 -13.087 -11.773 1.00 0.00 C ATOM 639 O ARG A 446 -15.362 -13.327 -12.193 1.00 0.00 O ATOM 640 CB ARG A 446 -12.356 -12.273 -13.259 1.00 0.00 C ATOM 641 CG ARG A 446 -11.206 -12.973 -12.523 1.00 0.00 C ATOM 642 CD ARG A 446 -9.977 -13.028 -13.433 1.00 0.00 C ATOM 643 NE ARG A 446 -9.167 -14.174 -12.917 1.00 0.00 N ATOM 644 CZ ARG A 446 -9.547 -15.427 -13.109 1.00 0.00 C ATOM 645 NH1 ARG A 446 -10.651 -15.715 -13.759 1.00 0.00 N ATOM 646 NH2 ARG A 446 -8.813 -16.405 -12.643 1.00 0.00 N ATOM 0 H ARG A 446 -12.957 -11.522 -10.219 1.00 0.00 H new ATOM 0 HA ARG A 446 -14.200 -11.203 -12.771 1.00 0.00 H new ATOM 0 HB2 ARG A 446 -12.767 -12.942 -14.015 1.00 0.00 H new ATOM 0 HB3 ARG A 446 -11.976 -11.396 -13.782 1.00 0.00 H new ATOM 0 HG2 ARG A 446 -10.968 -12.437 -11.604 1.00 0.00 H new ATOM 0 HG3 ARG A 446 -11.504 -13.981 -12.235 1.00 0.00 H new ATOM 0 HD2 ARG A 446 -10.262 -13.183 -14.473 1.00 0.00 H new ATOM 0 HD3 ARG A 446 -9.413 -12.096 -13.392 1.00 0.00 H new ATOM 0 HE ARG A 446 -8.304 -13.986 -12.407 1.00 0.00 H new ATOM 0 HH11 ARG A 446 -11.236 -14.965 -14.128 1.00 0.00 H new ATOM 0 HH12 ARG A 446 -10.924 -16.688 -13.895 1.00 0.00 H new ATOM 0 HH21 ARG A 446 -7.953 -16.200 -12.135 1.00 0.00 H new ATOM 0 HH22 ARG A 446 -9.101 -17.373 -12.788 1.00 0.00 H new ATOM 660 N ASN A 447 -13.675 -13.880 -10.878 1.00 0.00 N ATOM 661 CA ASN A 447 -14.399 -15.094 -10.364 1.00 0.00 C ATOM 662 C ASN A 447 -14.881 -15.964 -11.533 1.00 0.00 C ATOM 663 O ASN A 447 -15.978 -16.490 -11.504 1.00 0.00 O ATOM 664 CB ASN A 447 -15.604 -14.567 -9.572 1.00 0.00 C ATOM 665 CG ASN A 447 -15.148 -13.538 -8.527 1.00 0.00 C ATOM 666 OD1 ASN A 447 -14.691 -13.901 -7.462 1.00 0.00 O ATOM 667 ND2 ASN A 447 -15.254 -12.257 -8.788 1.00 0.00 N ATOM 0 H ASN A 447 -12.744 -13.736 -10.487 1.00 0.00 H new ATOM 0 HA ASN A 447 -13.747 -15.710 -9.744 1.00 0.00 H new ATOM 0 HB2 ASN A 447 -16.323 -14.110 -10.252 1.00 0.00 H new ATOM 0 HB3 ASN A 447 -16.113 -15.395 -9.079 1.00 0.00 H new ATOM 0 HD21 ASN A 447 -14.953 -11.569 -8.098 1.00 0.00 H new ATOM 0 HD22 ASN A 447 -15.637 -11.949 -9.681 1.00 0.00 H new ATOM 674 N VAL A 448 -14.085 -16.104 -12.579 1.00 0.00 N ATOM 675 CA VAL A 448 -14.516 -16.920 -13.760 1.00 0.00 C ATOM 676 C VAL A 448 -15.859 -16.393 -14.272 1.00 0.00 C ATOM 677 O VAL A 448 -16.858 -17.084 -14.245 1.00 0.00 O ATOM 678 CB VAL A 448 -14.643 -18.364 -13.260 1.00 0.00 C ATOM 679 CG1 VAL A 448 -15.043 -19.273 -14.423 1.00 0.00 C ATOM 680 CG2 VAL A 448 -13.299 -18.830 -12.693 1.00 0.00 C ATOM 0 H VAL A 448 -13.158 -15.687 -12.660 1.00 0.00 H new ATOM 0 HA VAL A 448 -13.805 -16.864 -14.584 1.00 0.00 H new ATOM 0 HB VAL A 448 -15.404 -18.411 -12.481 1.00 0.00 H new ATOM 0 HG11 VAL A 448 -15.133 -20.300 -14.068 1.00 0.00 H new ATOM 0 HG12 VAL A 448 -15.999 -18.944 -14.830 1.00 0.00 H new ATOM 0 HG13 VAL A 448 -14.282 -19.224 -15.202 1.00 0.00 H new ATOM 0 HG21 VAL A 448 -13.390 -19.856 -12.338 1.00 0.00 H new ATOM 0 HG22 VAL A 448 -12.539 -18.782 -13.473 1.00 0.00 H new ATOM 0 HG23 VAL A 448 -13.010 -18.184 -11.864 1.00 0.00 H new ATOM 690 N LEU A 449 -15.889 -15.151 -14.712 1.00 0.00 N ATOM 691 CA LEU A 449 -17.163 -14.541 -15.204 1.00 0.00 C ATOM 692 C LEU A 449 -18.220 -14.579 -14.088 1.00 0.00 C ATOM 693 O LEU A 449 -19.387 -14.804 -14.347 1.00 0.00 O ATOM 694 CB LEU A 449 -17.625 -15.388 -16.403 1.00 0.00 C ATOM 695 CG LEU A 449 -16.489 -15.525 -17.433 1.00 0.00 C ATOM 696 CD1 LEU A 449 -16.241 -17.007 -17.730 1.00 0.00 C ATOM 697 CD2 LEU A 449 -16.876 -14.805 -18.730 1.00 0.00 C ATOM 0 H LEU A 449 -15.078 -14.534 -14.749 1.00 0.00 H new ATOM 0 HA LEU A 449 -17.019 -13.501 -15.496 1.00 0.00 H new ATOM 0 HB2 LEU A 449 -17.935 -16.375 -16.061 1.00 0.00 H new ATOM 0 HB3 LEU A 449 -18.494 -14.925 -16.870 1.00 0.00 H new ATOM 0 HG LEU A 449 -15.582 -15.077 -17.027 1.00 0.00 H new ATOM 0 HD11 LEU A 449 -15.437 -17.102 -18.459 1.00 0.00 H new ATOM 0 HD12 LEU A 449 -15.960 -17.520 -16.810 1.00 0.00 H new ATOM 0 HD13 LEU A 449 -17.150 -17.455 -18.132 1.00 0.00 H new ATOM 0 HD21 LEU A 449 -16.069 -14.905 -19.456 1.00 0.00 H new ATOM 0 HD22 LEU A 449 -17.785 -15.249 -19.135 1.00 0.00 H new ATOM 0 HD23 LEU A 449 -17.049 -13.749 -18.522 1.00 0.00 H new ATOM 709 N ASP A 450 -17.825 -14.370 -12.840 1.00 0.00 N ATOM 710 CA ASP A 450 -18.810 -14.408 -11.712 1.00 0.00 C ATOM 711 C ASP A 450 -19.650 -15.699 -11.770 1.00 0.00 C ATOM 712 O ASP A 450 -20.843 -15.674 -11.533 1.00 0.00 O ATOM 713 CB ASP A 450 -19.698 -13.177 -11.910 1.00 0.00 C ATOM 714 CG ASP A 450 -20.209 -12.693 -10.552 1.00 0.00 C ATOM 715 OD1 ASP A 450 -20.468 -13.532 -9.705 1.00 0.00 O ATOM 716 OD2 ASP A 450 -20.333 -11.490 -10.382 1.00 0.00 O ATOM 0 H ASP A 450 -16.863 -14.176 -12.564 1.00 0.00 H new ATOM 0 HA ASP A 450 -18.316 -14.400 -10.740 1.00 0.00 H new ATOM 0 HB2 ASP A 450 -19.134 -12.384 -12.402 1.00 0.00 H new ATOM 0 HB3 ASP A 450 -20.538 -13.422 -12.560 1.00 0.00 H new ATOM 721 N GLU A 451 -19.039 -16.826 -12.092 1.00 0.00 N ATOM 722 CA GLU A 451 -19.827 -18.116 -12.172 1.00 0.00 C ATOM 723 C GLU A 451 -20.641 -18.334 -10.889 1.00 0.00 C ATOM 724 O GLU A 451 -21.742 -18.851 -10.990 1.00 0.00 O ATOM 725 CB GLU A 451 -18.805 -19.257 -12.338 1.00 0.00 C ATOM 726 CG GLU A 451 -18.715 -19.655 -13.813 1.00 0.00 C ATOM 727 CD GLU A 451 -18.134 -21.066 -13.925 1.00 0.00 C ATOM 728 OE1 GLU A 451 -18.720 -21.973 -13.358 1.00 0.00 O ATOM 729 OE2 GLU A 451 -17.115 -21.215 -14.578 1.00 0.00 O ATOM 730 OXT GLU A 451 -20.149 -17.979 -9.831 1.00 0.00 O ATOM 0 H GLU A 451 -18.044 -16.911 -12.300 1.00 0.00 H new ATOM 0 HA GLU A 451 -20.526 -18.083 -13.008 1.00 0.00 H new ATOM 0 HB2 GLU A 451 -17.827 -18.938 -11.977 1.00 0.00 H new ATOM 0 HB3 GLU A 451 -19.103 -20.116 -11.737 1.00 0.00 H new ATOM 0 HG2 GLU A 451 -19.703 -19.619 -14.271 1.00 0.00 H new ATOM 0 HG3 GLU A 451 -18.087 -18.947 -14.354 1.00 0.00 H new