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 145:sc= -1.68 USER MOD Set 1.2: A 427 CYS SG : rot 118:sc= -2.37 USER MOD Set 1.3: A 434 HIS : no HE2:sc= -0.928 K(o=-5.2,f=-9.2) USER MOD Set 1.4: A 440 HIS : no HD1:sc= -0.235 K(o=-5.2,f=-10) 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= -0.313 K(o=-0.31,f=-2.5!) USER MOD Single : A 433 GLN : amide:sc= -3! C(o=-3!,f=-3.6!) USER MOD Single : A 435 LYS NZ :NH3+ -166:sc= -0.106 (180deg=-0.164) USER MOD Single : A 438 TYR OH : rot 180:sc= 0 USER MOD Single : A 441 ASN : amide:sc= -3.25 K(o=-3.2,f=-9.7!) USER MOD Single : A 442 THR OG1 : rot 180:sc= 0 USER MOD Single : A 447 ASN : amide:sc= -0.366 X(o=-0.37,f=-0.82) USER MOD ----------------------------------------------------------------- ATOM 148 N ASP A 416 -1.211 -8.881 -9.904 1.00 0.00 N ATOM 149 CA ASP A 416 -1.967 -9.500 -8.774 1.00 0.00 C ATOM 150 C ASP A 416 -1.013 -10.198 -7.783 1.00 0.00 C ATOM 151 O ASP A 416 -1.463 -10.738 -6.789 1.00 0.00 O ATOM 152 CB ASP A 416 -2.912 -10.524 -9.413 1.00 0.00 C ATOM 153 CG ASP A 416 -4.253 -10.515 -8.677 1.00 0.00 C ATOM 154 OD1 ASP A 416 -5.031 -9.607 -8.917 1.00 0.00 O ATOM 155 OD2 ASP A 416 -4.478 -11.415 -7.885 1.00 0.00 O ATOM 0 HA ASP A 416 -2.510 -8.745 -8.206 1.00 0.00 H new ATOM 0 HB2 ASP A 416 -3.062 -10.287 -10.466 1.00 0.00 H new ATOM 0 HB3 ASP A 416 -2.469 -11.519 -9.370 1.00 0.00 H new ATOM 160 N ASP A 417 0.292 -10.206 -8.024 1.00 0.00 N ATOM 161 CA ASP A 417 1.210 -10.896 -7.048 1.00 0.00 C ATOM 162 C ASP A 417 1.796 -9.913 -6.010 1.00 0.00 C ATOM 163 O ASP A 417 2.764 -10.235 -5.346 1.00 0.00 O ATOM 164 CB ASP A 417 2.336 -11.512 -7.892 1.00 0.00 C ATOM 165 CG ASP A 417 1.820 -12.769 -8.595 1.00 0.00 C ATOM 166 OD1 ASP A 417 1.281 -13.627 -7.915 1.00 0.00 O ATOM 167 OD2 ASP A 417 1.971 -12.852 -9.803 1.00 0.00 O ATOM 0 H ASP A 417 0.746 -9.777 -8.831 1.00 0.00 H new ATOM 0 HA ASP A 417 0.664 -11.648 -6.478 1.00 0.00 H new ATOM 0 HB2 ASP A 417 2.689 -10.790 -8.628 1.00 0.00 H new ATOM 0 HB3 ASP A 417 3.186 -11.761 -7.257 1.00 0.00 H new ATOM 172 N ARG A 418 1.238 -8.719 -5.859 1.00 0.00 N ATOM 173 CA ARG A 418 1.806 -7.749 -4.851 1.00 0.00 C ATOM 174 C ARG A 418 1.945 -8.424 -3.474 1.00 0.00 C ATOM 175 O ARG A 418 1.114 -9.231 -3.106 1.00 0.00 O ATOM 176 CB ARG A 418 0.821 -6.581 -4.753 1.00 0.00 C ATOM 177 CG ARG A 418 1.279 -5.454 -5.675 1.00 0.00 C ATOM 178 CD ARG A 418 0.129 -4.457 -5.891 1.00 0.00 C ATOM 179 NE ARG A 418 -1.020 -5.251 -6.459 1.00 0.00 N ATOM 180 CZ ARG A 418 -2.277 -4.872 -6.270 1.00 0.00 C ATOM 181 NH1 ARG A 418 -2.573 -3.756 -5.644 1.00 0.00 N ATOM 182 NH2 ARG A 418 -3.250 -5.611 -6.737 1.00 0.00 N ATOM 0 H ARG A 418 0.429 -8.382 -6.381 1.00 0.00 H new ATOM 0 HA ARG A 418 2.795 -7.411 -5.160 1.00 0.00 H new ATOM 0 HB2 ARG A 418 -0.180 -6.910 -5.032 1.00 0.00 H new ATOM 0 HB3 ARG A 418 0.764 -6.224 -3.725 1.00 0.00 H new ATOM 0 HG2 ARG A 418 2.138 -4.943 -5.241 1.00 0.00 H new ATOM 0 HG3 ARG A 418 1.602 -5.864 -6.632 1.00 0.00 H new ATOM 0 HD2 ARG A 418 -0.154 -3.981 -4.952 1.00 0.00 H new ATOM 0 HD3 ARG A 418 0.427 -3.662 -6.574 1.00 0.00 H new ATOM 0 HE ARG A 418 -0.827 -6.095 -6.998 1.00 0.00 H new ATOM 0 HH11 ARG A 418 -1.827 -3.157 -5.290 1.00 0.00 H new ATOM 0 HH12 ARG A 418 -3.548 -3.488 -5.512 1.00 0.00 H new ATOM 0 HH21 ARG A 418 -3.039 -6.472 -7.242 1.00 0.00 H new ATOM 0 HH22 ARG A 418 -4.219 -5.327 -6.596 1.00 0.00 H new ATOM 196 N PRO A 419 2.992 -8.085 -2.753 1.00 0.00 N ATOM 197 CA PRO A 419 3.200 -8.697 -1.422 1.00 0.00 C ATOM 198 C PRO A 419 2.172 -8.126 -0.406 1.00 0.00 C ATOM 199 O PRO A 419 1.082 -8.646 -0.308 1.00 0.00 O ATOM 200 CB PRO A 419 4.660 -8.356 -1.097 1.00 0.00 C ATOM 201 CG PRO A 419 4.964 -7.120 -1.892 1.00 0.00 C ATOM 202 CD PRO A 419 4.057 -7.124 -3.095 1.00 0.00 C ATOM 0 HA PRO A 419 3.039 -9.774 -1.386 1.00 0.00 H new ATOM 0 HB2 PRO A 419 4.795 -8.180 -0.030 1.00 0.00 H new ATOM 0 HB3 PRO A 419 5.326 -9.174 -1.372 1.00 0.00 H new ATOM 0 HG2 PRO A 419 4.799 -6.226 -1.290 1.00 0.00 H new ATOM 0 HG3 PRO A 419 6.010 -7.109 -2.200 1.00 0.00 H new ATOM 0 HD2 PRO A 419 3.649 -6.132 -3.287 1.00 0.00 H new ATOM 0 HD3 PRO A 419 4.592 -7.429 -3.994 1.00 0.00 H new ATOM 210 N GLU A 420 2.485 -7.075 0.345 1.00 0.00 N ATOM 211 CA GLU A 420 1.479 -6.531 1.321 1.00 0.00 C ATOM 212 C GLU A 420 1.989 -5.280 2.045 1.00 0.00 C ATOM 213 O GLU A 420 3.020 -5.313 2.689 1.00 0.00 O ATOM 214 CB GLU A 420 1.243 -7.647 2.353 1.00 0.00 C ATOM 215 CG GLU A 420 2.566 -8.030 3.027 1.00 0.00 C ATOM 216 CD GLU A 420 2.503 -9.487 3.488 1.00 0.00 C ATOM 217 OE1 GLU A 420 1.569 -9.823 4.197 1.00 0.00 O ATOM 218 OE2 GLU A 420 3.389 -10.240 3.121 1.00 0.00 O ATOM 0 H GLU A 420 3.379 -6.584 0.320 1.00 0.00 H new ATOM 0 HA GLU A 420 0.571 -6.241 0.792 1.00 0.00 H new ATOM 0 HB2 GLU A 420 0.527 -7.313 3.104 1.00 0.00 H new ATOM 0 HB3 GLU A 420 0.809 -8.519 1.864 1.00 0.00 H new ATOM 0 HG2 GLU A 420 3.393 -7.894 2.331 1.00 0.00 H new ATOM 0 HG3 GLU A 420 2.755 -7.376 3.879 1.00 0.00 H new ATOM 225 N CYS A 421 1.252 -4.191 1.990 1.00 0.00 N ATOM 226 CA CYS A 421 1.686 -2.958 2.739 1.00 0.00 C ATOM 227 C CYS A 421 1.509 -3.214 4.246 1.00 0.00 C ATOM 228 O CYS A 421 0.540 -3.832 4.646 1.00 0.00 O ATOM 229 CB CYS A 421 0.744 -1.836 2.255 1.00 0.00 C ATOM 230 SG CYS A 421 1.007 -0.306 3.185 1.00 0.00 S ATOM 0 H CYS A 421 0.381 -4.101 1.467 1.00 0.00 H new ATOM 0 HA CYS A 421 2.729 -2.693 2.566 1.00 0.00 H new ATOM 0 HB2 CYS A 421 0.911 -1.652 1.194 1.00 0.00 H new ATOM 0 HB3 CYS A 421 -0.292 -2.156 2.364 1.00 0.00 H new ATOM 0 HG CYS A 421 0.831 0.715 2.400 1.00 0.00 H new ATOM 235 N PRO A 422 2.439 -2.738 5.046 1.00 0.00 N ATOM 236 CA PRO A 422 2.335 -2.943 6.514 1.00 0.00 C ATOM 237 C PRO A 422 1.167 -2.122 7.088 1.00 0.00 C ATOM 238 O PRO A 422 0.471 -2.572 7.979 1.00 0.00 O ATOM 239 CB PRO A 422 3.677 -2.441 7.045 1.00 0.00 C ATOM 240 CG PRO A 422 4.163 -1.479 6.010 1.00 0.00 C ATOM 241 CD PRO A 422 3.648 -1.976 4.686 1.00 0.00 C ATOM 0 HA PRO A 422 2.139 -3.979 6.791 1.00 0.00 H new ATOM 0 HB2 PRO A 422 3.562 -1.955 8.014 1.00 0.00 H new ATOM 0 HB3 PRO A 422 4.380 -3.263 7.182 1.00 0.00 H new ATOM 0 HG2 PRO A 422 3.798 -0.473 6.215 1.00 0.00 H new ATOM 0 HG3 PRO A 422 5.252 -1.429 6.008 1.00 0.00 H new ATOM 0 HD2 PRO A 422 3.416 -1.152 4.012 1.00 0.00 H new ATOM 0 HD3 PRO A 422 4.382 -2.604 4.181 1.00 0.00 H new ATOM 249 N TYR A 423 0.940 -0.920 6.590 1.00 0.00 N ATOM 250 CA TYR A 423 -0.201 -0.081 7.130 1.00 0.00 C ATOM 251 C TYR A 423 -1.521 -0.876 7.107 1.00 0.00 C ATOM 252 O TYR A 423 -2.171 -1.019 8.126 1.00 0.00 O ATOM 253 CB TYR A 423 -0.292 1.173 6.231 1.00 0.00 C ATOM 254 CG TYR A 423 1.009 1.932 6.303 1.00 0.00 C ATOM 255 CD1 TYR A 423 1.613 2.192 7.569 1.00 0.00 C ATOM 256 CD2 TYR A 423 1.631 2.393 5.110 1.00 0.00 C ATOM 257 CE1 TYR A 423 2.836 2.905 7.642 1.00 0.00 C ATOM 258 CE2 TYR A 423 2.856 3.112 5.189 1.00 0.00 C ATOM 259 CZ TYR A 423 3.457 3.364 6.454 1.00 0.00 C ATOM 260 OH TYR A 423 4.649 4.047 6.530 1.00 0.00 O ATOM 0 H TYR A 423 1.484 -0.486 5.844 1.00 0.00 H new ATOM 0 HA TYR A 423 -0.024 0.200 8.168 1.00 0.00 H new ATOM 0 HB2 TYR A 423 -0.500 0.882 5.201 1.00 0.00 H new ATOM 0 HB3 TYR A 423 -1.116 1.809 6.556 1.00 0.00 H new ATOM 0 HD1 TYR A 423 1.137 1.845 8.474 1.00 0.00 H new ATOM 0 HD2 TYR A 423 1.176 2.198 4.150 1.00 0.00 H new ATOM 0 HE1 TYR A 423 3.293 3.098 8.601 1.00 0.00 H new ATOM 0 HE2 TYR A 423 3.331 3.467 4.287 1.00 0.00 H new ATOM 0 HH TYR A 423 4.944 4.292 5.628 1.00 0.00 H new ATOM 270 N GLY A 424 -1.915 -1.413 5.969 1.00 0.00 N ATOM 271 CA GLY A 424 -3.180 -2.213 5.920 1.00 0.00 C ATOM 272 C GLY A 424 -4.359 -1.337 5.461 1.00 0.00 C ATOM 273 O GLY A 424 -4.192 -0.482 4.615 1.00 0.00 O ATOM 0 H GLY A 424 -1.418 -1.331 5.082 1.00 0.00 H new ATOM 0 HA2 GLY A 424 -3.058 -3.054 5.238 1.00 0.00 H new ATOM 0 HA3 GLY A 424 -3.391 -2.629 6.905 1.00 0.00 H new ATOM 277 N PRO A 425 -5.529 -1.582 6.028 1.00 0.00 N ATOM 278 CA PRO A 425 -6.739 -0.799 5.648 1.00 0.00 C ATOM 279 C PRO A 425 -6.636 0.672 6.108 1.00 0.00 C ATOM 280 O PRO A 425 -7.288 1.535 5.551 1.00 0.00 O ATOM 281 CB PRO A 425 -7.875 -1.511 6.379 1.00 0.00 C ATOM 282 CG PRO A 425 -7.214 -2.186 7.534 1.00 0.00 C ATOM 283 CD PRO A 425 -5.842 -2.584 7.063 1.00 0.00 C ATOM 0 HA PRO A 425 -6.880 -0.758 4.568 1.00 0.00 H new ATOM 0 HB2 PRO A 425 -8.635 -0.805 6.714 1.00 0.00 H new ATOM 0 HB3 PRO A 425 -8.373 -2.232 5.731 1.00 0.00 H new ATOM 0 HG2 PRO A 425 -7.151 -1.516 8.392 1.00 0.00 H new ATOM 0 HG3 PRO A 425 -7.784 -3.059 7.852 1.00 0.00 H new ATOM 0 HD2 PRO A 425 -5.116 -2.561 7.876 1.00 0.00 H new ATOM 0 HD3 PRO A 425 -5.835 -3.596 6.657 1.00 0.00 H new ATOM 291 N SER A 426 -5.811 0.976 7.093 1.00 0.00 N ATOM 292 CA SER A 426 -5.671 2.396 7.538 1.00 0.00 C ATOM 293 C SER A 426 -4.384 2.958 6.931 1.00 0.00 C ATOM 294 O SER A 426 -3.507 3.425 7.635 1.00 0.00 O ATOM 295 CB SER A 426 -5.589 2.360 9.067 1.00 0.00 C ATOM 296 OG SER A 426 -6.893 2.517 9.609 1.00 0.00 O ATOM 0 H SER A 426 -5.236 0.303 7.600 1.00 0.00 H new ATOM 0 HA SER A 426 -6.503 3.026 7.222 1.00 0.00 H new ATOM 0 HB2 SER A 426 -5.156 1.416 9.398 1.00 0.00 H new ATOM 0 HB3 SER A 426 -4.935 3.154 9.427 1.00 0.00 H new ATOM 0 HG SER A 426 -6.846 2.493 10.588 1.00 0.00 H new ATOM 302 N CYS A 427 -4.263 2.907 5.622 1.00 0.00 N ATOM 303 CA CYS A 427 -3.020 3.434 4.968 1.00 0.00 C ATOM 304 C CYS A 427 -3.179 4.921 4.599 1.00 0.00 C ATOM 305 O CYS A 427 -3.613 5.255 3.513 1.00 0.00 O ATOM 306 CB CYS A 427 -2.801 2.595 3.707 1.00 0.00 C ATOM 307 SG CYS A 427 -1.149 2.950 3.066 1.00 0.00 S ATOM 0 H CYS A 427 -4.964 2.527 4.985 1.00 0.00 H new ATOM 0 HA CYS A 427 -2.169 3.363 5.645 1.00 0.00 H new ATOM 0 HB2 CYS A 427 -2.899 1.534 3.936 1.00 0.00 H new ATOM 0 HB3 CYS A 427 -3.557 2.831 2.958 1.00 0.00 H new ATOM 0 HG CYS A 427 -0.434 1.865 3.085 1.00 0.00 H new ATOM 312 N TYR A 428 -2.812 5.815 5.495 1.00 0.00 N ATOM 313 CA TYR A 428 -2.924 7.292 5.189 1.00 0.00 C ATOM 314 C TYR A 428 -2.088 7.678 3.928 1.00 0.00 C ATOM 315 O TYR A 428 -2.339 8.708 3.327 1.00 0.00 O ATOM 316 CB TYR A 428 -2.446 8.056 6.481 1.00 0.00 C ATOM 317 CG TYR A 428 -1.258 8.962 6.202 1.00 0.00 C ATOM 318 CD1 TYR A 428 -1.473 10.251 5.643 1.00 0.00 C ATOM 319 CD2 TYR A 428 0.068 8.516 6.467 1.00 0.00 C ATOM 320 CE1 TYR A 428 -0.368 11.091 5.349 1.00 0.00 C ATOM 321 CE2 TYR A 428 1.166 9.356 6.174 1.00 0.00 C ATOM 322 CZ TYR A 428 0.953 10.643 5.612 1.00 0.00 C ATOM 323 OH TYR A 428 2.029 11.458 5.325 1.00 0.00 O ATOM 0 H TYR A 428 -2.442 5.592 6.419 1.00 0.00 H new ATOM 0 HA TYR A 428 -3.951 7.567 4.947 1.00 0.00 H new ATOM 0 HB2 TYR A 428 -3.270 8.650 6.876 1.00 0.00 H new ATOM 0 HB3 TYR A 428 -2.177 7.333 7.251 1.00 0.00 H new ATOM 0 HD1 TYR A 428 -2.478 10.591 5.442 1.00 0.00 H new ATOM 0 HD2 TYR A 428 0.234 7.537 6.891 1.00 0.00 H new ATOM 0 HE1 TYR A 428 -0.532 12.071 4.925 1.00 0.00 H new ATOM 0 HE2 TYR A 428 2.171 9.018 6.378 1.00 0.00 H new ATOM 0 HH TYR A 428 2.861 10.999 5.567 1.00 0.00 H new ATOM 333 N ARG A 429 -1.106 6.886 3.525 1.00 0.00 N ATOM 334 CA ARG A 429 -0.298 7.269 2.314 1.00 0.00 C ATOM 335 C ARG A 429 -0.946 6.728 1.029 1.00 0.00 C ATOM 336 O ARG A 429 -1.505 5.648 1.018 1.00 0.00 O ATOM 337 CB ARG A 429 1.116 6.684 2.507 1.00 0.00 C ATOM 338 CG ARG A 429 1.085 5.151 2.519 1.00 0.00 C ATOM 339 CD ARG A 429 2.503 4.614 2.272 1.00 0.00 C ATOM 340 NE ARG A 429 2.939 5.129 0.924 1.00 0.00 N ATOM 341 CZ ARG A 429 4.224 5.172 0.598 1.00 0.00 C ATOM 342 NH1 ARG A 429 5.157 4.747 1.419 1.00 0.00 N ATOM 343 NH2 ARG A 429 4.578 5.638 -0.573 1.00 0.00 N ATOM 0 H ARG A 429 -0.836 6.011 3.974 1.00 0.00 H new ATOM 0 HA ARG A 429 -0.252 8.353 2.211 1.00 0.00 H new ATOM 0 HB2 ARG A 429 1.768 7.031 1.706 1.00 0.00 H new ATOM 0 HB3 ARG A 429 1.539 7.049 3.443 1.00 0.00 H new ATOM 0 HG2 ARG A 429 0.709 4.791 3.476 1.00 0.00 H new ATOM 0 HG3 ARG A 429 0.405 4.783 1.750 1.00 0.00 H new ATOM 0 HD2 ARG A 429 3.185 4.951 3.053 1.00 0.00 H new ATOM 0 HD3 ARG A 429 2.512 3.524 2.290 1.00 0.00 H new ATOM 0 HE ARG A 429 2.238 5.448 0.255 1.00 0.00 H new ATOM 0 HH11 ARG A 429 4.901 4.372 2.332 1.00 0.00 H new ATOM 0 HH12 ARG A 429 6.138 4.791 1.143 1.00 0.00 H new ATOM 0 HH21 ARG A 429 3.868 5.965 -1.228 1.00 0.00 H new ATOM 0 HH22 ARG A 429 5.564 5.674 -0.831 1.00 0.00 H new ATOM 357 N LYS A 430 -0.872 7.474 -0.054 1.00 0.00 N ATOM 358 CA LYS A 430 -1.478 7.003 -1.335 1.00 0.00 C ATOM 359 C LYS A 430 -0.658 7.521 -2.528 1.00 0.00 C ATOM 360 O LYS A 430 -0.973 8.548 -3.098 1.00 0.00 O ATOM 361 CB LYS A 430 -2.884 7.602 -1.352 1.00 0.00 C ATOM 362 CG LYS A 430 -3.764 6.810 -2.319 1.00 0.00 C ATOM 363 CD LYS A 430 -5.072 7.569 -2.556 1.00 0.00 C ATOM 364 CE LYS A 430 -5.530 7.364 -4.002 1.00 0.00 C ATOM 365 NZ LYS A 430 -6.800 8.133 -4.114 1.00 0.00 N ATOM 0 H LYS A 430 -0.418 8.386 -0.100 1.00 0.00 H new ATOM 0 HA LYS A 430 -1.498 5.916 -1.409 1.00 0.00 H new ATOM 0 HB2 LYS A 430 -3.313 7.578 -0.350 1.00 0.00 H new ATOM 0 HB3 LYS A 430 -2.842 8.648 -1.656 1.00 0.00 H new ATOM 0 HG2 LYS A 430 -3.241 6.660 -3.264 1.00 0.00 H new ATOM 0 HG3 LYS A 430 -3.973 5.821 -1.911 1.00 0.00 H new ATOM 0 HD2 LYS A 430 -5.839 7.215 -1.867 1.00 0.00 H new ATOM 0 HD3 LYS A 430 -4.929 8.631 -2.356 1.00 0.00 H new ATOM 0 HE2 LYS A 430 -4.784 7.728 -4.708 1.00 0.00 H new ATOM 0 HE3 LYS A 430 -5.687 6.308 -4.221 1.00 0.00 H new ATOM 0 HZ1 LYS A 430 -7.177 8.042 -5.079 1.00 0.00 H new ATOM 0 HZ2 LYS A 430 -7.493 7.759 -3.435 1.00 0.00 H new ATOM 0 HZ3 LYS A 430 -6.618 9.136 -3.907 1.00 0.00 H new ATOM 379 N ASN A 431 0.394 6.824 -2.908 1.00 0.00 N ATOM 380 CA ASN A 431 1.224 7.296 -4.060 1.00 0.00 C ATOM 381 C ASN A 431 1.028 6.370 -5.268 1.00 0.00 C ATOM 382 O ASN A 431 0.349 5.366 -5.164 1.00 0.00 O ATOM 383 CB ASN A 431 2.676 7.236 -3.568 1.00 0.00 C ATOM 384 CG ASN A 431 3.182 8.654 -3.272 1.00 0.00 C ATOM 385 OD1 ASN A 431 2.838 9.588 -3.968 1.00 0.00 O ATOM 386 ND2 ASN A 431 3.993 8.860 -2.262 1.00 0.00 N ATOM 0 H ASN A 431 0.708 5.957 -2.472 1.00 0.00 H new ATOM 0 HA ASN A 431 0.947 8.301 -4.378 1.00 0.00 H new ATOM 0 HB2 ASN A 431 2.740 6.622 -2.670 1.00 0.00 H new ATOM 0 HB3 ASN A 431 3.306 6.765 -4.322 1.00 0.00 H new ATOM 0 HD21 ASN A 431 4.332 9.801 -2.064 1.00 0.00 H new ATOM 0 HD22 ASN A 431 4.285 8.079 -1.675 1.00 0.00 H new ATOM 393 N PRO A 432 1.624 6.732 -6.385 1.00 0.00 N ATOM 394 CA PRO A 432 1.487 5.903 -7.605 1.00 0.00 C ATOM 395 C PRO A 432 2.337 4.629 -7.496 1.00 0.00 C ATOM 396 O PRO A 432 1.922 3.579 -7.944 1.00 0.00 O ATOM 397 CB PRO A 432 1.998 6.809 -8.720 1.00 0.00 C ATOM 398 CG PRO A 432 2.923 7.774 -8.049 1.00 0.00 C ATOM 399 CD PRO A 432 2.460 7.922 -6.622 1.00 0.00 C ATOM 0 HA PRO A 432 0.465 5.565 -7.775 1.00 0.00 H new ATOM 0 HB2 PRO A 432 2.517 6.235 -9.487 1.00 0.00 H new ATOM 0 HB3 PRO A 432 1.176 7.329 -9.213 1.00 0.00 H new ATOM 0 HG2 PRO A 432 3.950 7.409 -8.084 1.00 0.00 H new ATOM 0 HG3 PRO A 432 2.909 8.737 -8.559 1.00 0.00 H new ATOM 0 HD2 PRO A 432 3.303 7.960 -5.932 1.00 0.00 H new ATOM 0 HD3 PRO A 432 1.892 8.842 -6.481 1.00 0.00 H new ATOM 407 N GLN A 433 3.510 4.698 -6.893 1.00 0.00 N ATOM 408 CA GLN A 433 4.342 3.468 -6.758 1.00 0.00 C ATOM 409 C GLN A 433 3.951 2.687 -5.491 1.00 0.00 C ATOM 410 O GLN A 433 4.195 1.497 -5.404 1.00 0.00 O ATOM 411 CB GLN A 433 5.823 3.914 -6.737 1.00 0.00 C ATOM 412 CG GLN A 433 6.191 4.638 -5.424 1.00 0.00 C ATOM 413 CD GLN A 433 6.381 3.624 -4.288 1.00 0.00 C ATOM 414 OE1 GLN A 433 5.838 3.802 -3.216 1.00 0.00 O ATOM 415 NE2 GLN A 433 7.127 2.565 -4.464 1.00 0.00 N ATOM 0 H GLN A 433 3.915 5.546 -6.496 1.00 0.00 H new ATOM 0 HA GLN A 433 4.179 2.789 -7.595 1.00 0.00 H new ATOM 0 HB2 GLN A 433 6.466 3.043 -6.863 1.00 0.00 H new ATOM 0 HB3 GLN A 433 6.014 4.576 -7.582 1.00 0.00 H new ATOM 0 HG2 GLN A 433 7.106 5.213 -5.563 1.00 0.00 H new ATOM 0 HG3 GLN A 433 5.406 5.347 -5.160 1.00 0.00 H new ATOM 0 HE21 GLN A 433 7.586 2.408 -5.361 1.00 0.00 H new ATOM 0 HE22 GLN A 433 7.250 1.896 -3.704 1.00 0.00 H new ATOM 424 N HIS A 434 3.352 3.327 -4.496 1.00 0.00 N ATOM 425 CA HIS A 434 2.972 2.549 -3.272 1.00 0.00 C ATOM 426 C HIS A 434 1.938 1.484 -3.666 1.00 0.00 C ATOM 427 O HIS A 434 2.152 0.310 -3.432 1.00 0.00 O ATOM 428 CB HIS A 434 2.381 3.545 -2.258 1.00 0.00 C ATOM 429 CG HIS A 434 2.020 2.809 -0.995 1.00 0.00 C ATOM 430 ND1 HIS A 434 2.946 2.052 -0.280 1.00 0.00 N ATOM 431 CD2 HIS A 434 0.832 2.670 -0.324 1.00 0.00 C ATOM 432 CE1 HIS A 434 2.294 1.497 0.761 1.00 0.00 C ATOM 433 NE2 HIS A 434 1.011 1.843 0.769 1.00 0.00 N ATOM 0 H HIS A 434 3.120 4.320 -4.483 1.00 0.00 H new ATOM 0 HA HIS A 434 3.831 2.044 -2.829 1.00 0.00 H new ATOM 0 HB2 HIS A 434 3.103 4.333 -2.041 1.00 0.00 H new ATOM 0 HB3 HIS A 434 1.498 4.028 -2.677 1.00 0.00 H new ATOM 0 HD1 HIS A 434 3.935 1.939 -0.503 1.00 0.00 H new ATOM 0 HD2 HIS A 434 -0.101 3.135 -0.606 1.00 0.00 H new ATOM 0 HE1 HIS A 434 2.756 0.853 1.495 1.00 0.00 H new ATOM 441 N LYS A 435 0.810 1.865 -4.244 1.00 0.00 N ATOM 442 CA LYS A 435 -0.231 0.827 -4.622 1.00 0.00 C ATOM 443 C LYS A 435 0.385 -0.324 -5.431 1.00 0.00 C ATOM 444 O LYS A 435 -0.062 -1.452 -5.324 1.00 0.00 O ATOM 445 CB LYS A 435 -1.296 1.541 -5.482 1.00 0.00 C ATOM 446 CG LYS A 435 -2.505 1.904 -4.613 1.00 0.00 C ATOM 447 CD LYS A 435 -2.420 3.375 -4.190 1.00 0.00 C ATOM 448 CE LYS A 435 -2.821 3.515 -2.719 1.00 0.00 C ATOM 449 NZ LYS A 435 -4.301 3.354 -2.706 1.00 0.00 N ATOM 0 H LYS A 435 0.565 2.830 -4.468 1.00 0.00 H new ATOM 0 HA LYS A 435 -0.661 0.397 -3.718 1.00 0.00 H new ATOM 0 HB2 LYS A 435 -0.873 2.441 -5.928 1.00 0.00 H new ATOM 0 HB3 LYS A 435 -1.607 0.895 -6.303 1.00 0.00 H new ATOM 0 HG2 LYS A 435 -3.428 1.728 -5.166 1.00 0.00 H new ATOM 0 HG3 LYS A 435 -2.535 1.264 -3.731 1.00 0.00 H new ATOM 0 HD2 LYS A 435 -1.406 3.747 -4.337 1.00 0.00 H new ATOM 0 HD3 LYS A 435 -3.076 3.981 -4.815 1.00 0.00 H new ATOM 0 HE2 LYS A 435 -2.336 2.757 -2.104 1.00 0.00 H new ATOM 0 HE3 LYS A 435 -2.526 4.486 -2.320 1.00 0.00 H new ATOM 0 HZ1 LYS A 435 -4.676 3.668 -1.788 1.00 0.00 H new ATOM 0 HZ2 LYS A 435 -4.719 3.928 -3.466 1.00 0.00 H new ATOM 0 HZ3 LYS A 435 -4.543 2.353 -2.855 1.00 0.00 H new ATOM 463 N ILE A 436 1.404 -0.069 -6.228 1.00 0.00 N ATOM 464 CA ILE A 436 2.007 -1.208 -7.007 1.00 0.00 C ATOM 465 C ILE A 436 3.006 -1.960 -6.110 1.00 0.00 C ATOM 466 O ILE A 436 3.012 -3.172 -6.095 1.00 0.00 O ATOM 467 CB ILE A 436 2.630 -0.676 -8.361 1.00 0.00 C ATOM 468 CG1 ILE A 436 3.814 -1.569 -8.830 1.00 0.00 C ATOM 469 CG2 ILE A 436 3.084 0.787 -8.305 1.00 0.00 C ATOM 470 CD1 ILE A 436 5.121 -1.223 -8.086 1.00 0.00 C ATOM 0 H ILE A 436 1.832 0.846 -6.371 1.00 0.00 H new ATOM 0 HA ILE A 436 1.242 -1.927 -7.298 1.00 0.00 H new ATOM 0 HB ILE A 436 1.817 -0.730 -9.085 1.00 0.00 H new ATOM 0 HG12 ILE A 436 3.567 -2.617 -8.663 1.00 0.00 H new ATOM 0 HG13 ILE A 436 3.962 -1.443 -9.903 1.00 0.00 H new ATOM 0 HG21 ILE A 436 3.499 1.076 -9.270 1.00 0.00 H new ATOM 0 HG22 ILE A 436 2.231 1.424 -8.071 1.00 0.00 H new ATOM 0 HG23 ILE A 436 3.845 0.902 -7.533 1.00 0.00 H new ATOM 0 HD11 ILE A 436 5.924 -1.868 -8.442 1.00 0.00 H new ATOM 0 HD12 ILE A 436 5.382 -0.182 -8.274 1.00 0.00 H new ATOM 0 HD13 ILE A 436 4.981 -1.374 -7.016 1.00 0.00 H new ATOM 482 N GLU A 437 3.858 -1.275 -5.381 1.00 0.00 N ATOM 483 CA GLU A 437 4.851 -2.015 -4.514 1.00 0.00 C ATOM 484 C GLU A 437 4.148 -2.863 -3.433 1.00 0.00 C ATOM 485 O GLU A 437 4.591 -3.958 -3.138 1.00 0.00 O ATOM 486 CB GLU A 437 5.752 -0.953 -3.847 1.00 0.00 C ATOM 487 CG GLU A 437 7.071 -0.840 -4.615 1.00 0.00 C ATOM 488 CD GLU A 437 8.219 -0.611 -3.630 1.00 0.00 C ATOM 489 OE1 GLU A 437 8.041 0.184 -2.722 1.00 0.00 O ATOM 490 OE2 GLU A 437 9.252 -1.239 -3.797 1.00 0.00 O ATOM 0 H GLU A 437 3.914 -0.257 -5.344 1.00 0.00 H new ATOM 0 HA GLU A 437 5.432 -2.704 -5.127 1.00 0.00 H new ATOM 0 HB2 GLU A 437 5.244 0.012 -3.833 1.00 0.00 H new ATOM 0 HB3 GLU A 437 5.946 -1.226 -2.810 1.00 0.00 H new ATOM 0 HG2 GLU A 437 7.248 -1.749 -5.190 1.00 0.00 H new ATOM 0 HG3 GLU A 437 7.020 -0.017 -5.327 1.00 0.00 H new ATOM 497 N TYR A 438 3.081 -2.380 -2.818 1.00 0.00 N ATOM 498 CA TYR A 438 2.416 -3.185 -1.753 1.00 0.00 C ATOM 499 C TYR A 438 0.886 -3.210 -1.934 1.00 0.00 C ATOM 500 O TYR A 438 0.304 -2.294 -2.480 1.00 0.00 O ATOM 501 CB TYR A 438 2.796 -2.472 -0.461 1.00 0.00 C ATOM 502 CG TYR A 438 4.287 -2.582 -0.245 1.00 0.00 C ATOM 503 CD1 TYR A 438 4.874 -3.844 0.041 1.00 0.00 C ATOM 504 CD2 TYR A 438 5.102 -1.420 -0.326 1.00 0.00 C ATOM 505 CE1 TYR A 438 6.276 -3.945 0.247 1.00 0.00 C ATOM 506 CE2 TYR A 438 6.506 -1.522 -0.121 1.00 0.00 C ATOM 507 CZ TYR A 438 7.093 -2.785 0.166 1.00 0.00 C ATOM 508 OH TYR A 438 8.455 -2.883 0.365 1.00 0.00 O ATOM 0 H TYR A 438 2.654 -1.474 -3.012 1.00 0.00 H new ATOM 0 HA TYR A 438 2.729 -4.229 -1.770 1.00 0.00 H new ATOM 0 HB2 TYR A 438 2.501 -1.424 -0.511 1.00 0.00 H new ATOM 0 HB3 TYR A 438 2.262 -2.913 0.381 1.00 0.00 H new ATOM 0 HD1 TYR A 438 4.254 -4.726 0.102 1.00 0.00 H new ATOM 0 HD2 TYR A 438 4.656 -0.461 -0.543 1.00 0.00 H new ATOM 0 HE1 TYR A 438 6.721 -4.904 0.465 1.00 0.00 H new ATOM 0 HE2 TYR A 438 7.126 -0.640 -0.183 1.00 0.00 H new ATOM 0 HH TYR A 438 8.864 -1.997 0.273 1.00 0.00 H new ATOM 518 N ARG A 439 0.235 -4.272 -1.489 1.00 0.00 N ATOM 519 CA ARG A 439 -1.252 -4.367 -1.654 1.00 0.00 C ATOM 520 C ARG A 439 -1.990 -4.285 -0.317 1.00 0.00 C ATOM 521 O ARG A 439 -1.483 -4.676 0.716 1.00 0.00 O ATOM 522 CB ARG A 439 -1.528 -5.714 -2.339 1.00 0.00 C ATOM 523 CG ARG A 439 -1.053 -6.885 -1.468 1.00 0.00 C ATOM 524 CD ARG A 439 -1.684 -8.192 -1.980 1.00 0.00 C ATOM 525 NE ARG A 439 -1.303 -9.263 -0.990 1.00 0.00 N ATOM 526 CZ ARG A 439 -1.175 -10.531 -1.361 1.00 0.00 C ATOM 527 NH1 ARG A 439 -1.443 -10.922 -2.587 1.00 0.00 N ATOM 528 NH2 ARG A 439 -0.795 -11.427 -0.484 1.00 0.00 N ATOM 0 H ARG A 439 0.671 -5.068 -1.023 1.00 0.00 H new ATOM 0 HA ARG A 439 -1.616 -3.529 -2.248 1.00 0.00 H new ATOM 0 HB2 ARG A 439 -2.595 -5.813 -2.536 1.00 0.00 H new ATOM 0 HB3 ARG A 439 -1.021 -5.745 -3.304 1.00 0.00 H new ATOM 0 HG2 ARG A 439 0.034 -6.957 -1.498 1.00 0.00 H new ATOM 0 HG3 ARG A 439 -1.333 -6.716 -0.428 1.00 0.00 H new ATOM 0 HD2 ARG A 439 -2.767 -8.098 -2.053 1.00 0.00 H new ATOM 0 HD3 ARG A 439 -1.317 -8.436 -2.977 1.00 0.00 H new ATOM 0 HE ARG A 439 -1.140 -9.008 -0.016 1.00 0.00 H new ATOM 0 HH11 ARG A 439 -1.758 -10.244 -3.281 1.00 0.00 H new ATOM 0 HH12 ARG A 439 -1.336 -11.903 -2.844 1.00 0.00 H new ATOM 0 HH21 ARG A 439 -0.599 -11.149 0.478 1.00 0.00 H new ATOM 0 HH22 ARG A 439 -0.695 -12.403 -0.763 1.00 0.00 H new ATOM 542 N HIS A 440 -3.211 -3.793 -0.349 1.00 0.00 N ATOM 543 CA HIS A 440 -4.021 -3.697 0.892 1.00 0.00 C ATOM 544 C HIS A 440 -5.200 -4.665 0.729 1.00 0.00 C ATOM 545 O HIS A 440 -6.206 -4.317 0.147 1.00 0.00 O ATOM 546 CB HIS A 440 -4.498 -2.234 0.987 1.00 0.00 C ATOM 547 CG HIS A 440 -3.325 -1.285 0.839 1.00 0.00 C ATOM 548 ND1 HIS A 440 -2.790 -0.964 -0.402 1.00 0.00 N ATOM 549 CD2 HIS A 440 -2.561 -0.599 1.760 1.00 0.00 C ATOM 550 CE1 HIS A 440 -1.753 -0.135 -0.197 1.00 0.00 C ATOM 551 NE2 HIS A 440 -1.575 0.122 1.099 1.00 0.00 N ATOM 0 H HIS A 440 -3.675 -3.454 -1.192 1.00 0.00 H new ATOM 0 HA HIS A 440 -3.473 -3.958 1.798 1.00 0.00 H new ATOM 0 HB2 HIS A 440 -5.236 -2.034 0.210 1.00 0.00 H new ATOM 0 HB3 HIS A 440 -4.991 -2.067 1.945 1.00 0.00 H new ATOM 0 HD2 HIS A 440 -2.707 -0.619 2.830 1.00 0.00 H new ATOM 0 HE1 HIS A 440 -1.139 0.273 -0.986 1.00 0.00 H new ATOM 0 HE2 HIS A 440 -0.864 0.722 1.517 1.00 0.00 H new ATOM 559 N ASN A 441 -5.071 -5.876 1.264 1.00 0.00 N ATOM 560 CA ASN A 441 -6.172 -6.929 1.183 1.00 0.00 C ATOM 561 C ASN A 441 -5.593 -8.337 1.428 1.00 0.00 C ATOM 562 O ASN A 441 -6.213 -9.155 2.077 1.00 0.00 O ATOM 563 CB ASN A 441 -6.786 -6.900 -0.234 1.00 0.00 C ATOM 564 CG ASN A 441 -5.682 -6.806 -1.299 1.00 0.00 C ATOM 565 OD1 ASN A 441 -4.911 -7.730 -1.471 1.00 0.00 O ATOM 566 ND2 ASN A 441 -5.567 -5.722 -2.024 1.00 0.00 N ATOM 0 H ASN A 441 -4.236 -6.186 1.762 1.00 0.00 H new ATOM 0 HA ASN A 441 -6.924 -6.710 1.941 1.00 0.00 H new ATOM 0 HB2 ASN A 441 -7.381 -7.799 -0.397 1.00 0.00 H new ATOM 0 HB3 ASN A 441 -7.462 -6.050 -0.326 1.00 0.00 H new ATOM 0 HD21 ASN A 441 -4.833 -5.656 -2.729 1.00 0.00 H new ATOM 0 HD22 ASN A 441 -6.211 -4.944 -1.884 1.00 0.00 H new ATOM 573 N THR A 442 -4.410 -8.626 0.909 1.00 0.00 N ATOM 574 CA THR A 442 -3.793 -9.982 1.109 1.00 0.00 C ATOM 575 C THR A 442 -4.811 -11.103 0.802 1.00 0.00 C ATOM 576 O THR A 442 -5.096 -11.930 1.648 1.00 0.00 O ATOM 577 CB THR A 442 -3.385 -10.015 2.584 1.00 0.00 C ATOM 578 OG1 THR A 442 -2.904 -8.734 2.966 1.00 0.00 O ATOM 579 CG2 THR A 442 -2.284 -11.058 2.790 1.00 0.00 C ATOM 0 H THR A 442 -3.849 -7.978 0.356 1.00 0.00 H new ATOM 0 HA THR A 442 -2.946 -10.146 0.443 1.00 0.00 H new ATOM 0 HB THR A 442 -4.248 -10.279 3.195 1.00 0.00 H new ATOM 0 HG1 THR A 442 -2.643 -8.751 3.911 1.00 0.00 H new ATOM 0 HG21 THR A 442 -1.995 -11.080 3.841 1.00 0.00 H new ATOM 0 HG22 THR A 442 -2.653 -12.040 2.495 1.00 0.00 H new ATOM 0 HG23 THR A 442 -1.418 -10.798 2.181 1.00 0.00 H new ATOM 587 N LEU A 443 -5.364 -11.136 -0.396 1.00 0.00 N ATOM 588 CA LEU A 443 -6.370 -12.214 -0.722 1.00 0.00 C ATOM 589 C LEU A 443 -5.656 -13.553 -0.979 1.00 0.00 C ATOM 590 O LEU A 443 -4.830 -13.639 -1.867 1.00 0.00 O ATOM 591 CB LEU A 443 -7.127 -11.764 -1.994 1.00 0.00 C ATOM 592 CG LEU A 443 -8.619 -11.629 -1.684 1.00 0.00 C ATOM 593 CD1 LEU A 443 -8.876 -10.277 -1.015 1.00 0.00 C ATOM 594 CD2 LEU A 443 -9.420 -11.714 -2.984 1.00 0.00 C ATOM 0 H LEU A 443 -5.168 -10.477 -1.150 1.00 0.00 H new ATOM 0 HA LEU A 443 -7.059 -12.359 0.110 1.00 0.00 H new ATOM 0 HB2 LEU A 443 -6.731 -10.812 -2.347 1.00 0.00 H new ATOM 0 HB3 LEU A 443 -6.976 -12.488 -2.794 1.00 0.00 H new ATOM 0 HG LEU A 443 -8.927 -12.433 -1.015 1.00 0.00 H new ATOM 0 HD11 LEU A 443 -9.938 -10.177 -0.793 1.00 0.00 H new ATOM 0 HD12 LEU A 443 -8.304 -10.215 -0.089 1.00 0.00 H new ATOM 0 HD13 LEU A 443 -8.569 -9.475 -1.686 1.00 0.00 H new ATOM 0 HD21 LEU A 443 -10.483 -11.618 -2.763 1.00 0.00 H new ATOM 0 HD22 LEU A 443 -9.114 -10.910 -3.653 1.00 0.00 H new ATOM 0 HD23 LEU A 443 -9.234 -12.675 -3.463 1.00 0.00 H new ATOM 606 N PRO A 444 -5.992 -14.567 -0.201 1.00 0.00 N ATOM 607 CA PRO A 444 -5.353 -15.890 -0.389 1.00 0.00 C ATOM 608 C PRO A 444 -5.983 -16.628 -1.582 1.00 0.00 C ATOM 609 O PRO A 444 -7.192 -16.720 -1.685 1.00 0.00 O ATOM 610 CB PRO A 444 -5.645 -16.624 0.915 1.00 0.00 C ATOM 611 CG PRO A 444 -6.882 -15.985 1.465 1.00 0.00 C ATOM 612 CD PRO A 444 -6.967 -14.587 0.905 1.00 0.00 C ATOM 0 HA PRO A 444 -4.286 -15.820 -0.602 1.00 0.00 H new ATOM 0 HB2 PRO A 444 -5.798 -17.689 0.740 1.00 0.00 H new ATOM 0 HB3 PRO A 444 -4.812 -16.532 1.612 1.00 0.00 H new ATOM 0 HG2 PRO A 444 -7.765 -16.561 1.189 1.00 0.00 H new ATOM 0 HG3 PRO A 444 -6.846 -15.959 2.554 1.00 0.00 H new ATOM 0 HD2 PRO A 444 -7.973 -14.363 0.550 1.00 0.00 H new ATOM 0 HD3 PRO A 444 -6.723 -13.842 1.662 1.00 0.00 H new ATOM 620 N VAL A 445 -5.179 -17.156 -2.486 1.00 0.00 N ATOM 621 CA VAL A 445 -5.752 -17.884 -3.664 1.00 0.00 C ATOM 622 C VAL A 445 -4.795 -19.004 -4.116 1.00 0.00 C ATOM 623 O VAL A 445 -4.417 -19.071 -5.270 1.00 0.00 O ATOM 624 CB VAL A 445 -5.901 -16.824 -4.765 1.00 0.00 C ATOM 625 CG1 VAL A 445 -6.495 -17.465 -6.022 1.00 0.00 C ATOM 626 CG2 VAL A 445 -6.832 -15.708 -4.285 1.00 0.00 C ATOM 0 H VAL A 445 -4.160 -17.113 -2.456 1.00 0.00 H new ATOM 0 HA VAL A 445 -6.705 -18.357 -3.428 1.00 0.00 H new ATOM 0 HB VAL A 445 -4.919 -16.409 -4.994 1.00 0.00 H new ATOM 0 HG11 VAL A 445 -6.599 -16.710 -6.801 1.00 0.00 H new ATOM 0 HG12 VAL A 445 -5.835 -18.259 -6.372 1.00 0.00 H new ATOM 0 HG13 VAL A 445 -7.474 -17.883 -5.789 1.00 0.00 H new ATOM 0 HG21 VAL A 445 -6.935 -14.958 -5.069 1.00 0.00 H new ATOM 0 HG22 VAL A 445 -7.811 -16.126 -4.052 1.00 0.00 H new ATOM 0 HG23 VAL A 445 -6.414 -15.244 -3.392 1.00 0.00 H new ATOM 636 N ARG A 446 -4.409 -19.891 -3.220 1.00 0.00 N ATOM 637 CA ARG A 446 -3.480 -21.015 -3.612 1.00 0.00 C ATOM 638 C ARG A 446 -3.194 -21.957 -2.422 1.00 0.00 C ATOM 639 O ARG A 446 -3.214 -23.164 -2.580 1.00 0.00 O ATOM 640 CB ARG A 446 -2.172 -20.363 -4.116 1.00 0.00 C ATOM 641 CG ARG A 446 -1.647 -19.332 -3.111 1.00 0.00 C ATOM 642 CD ARG A 446 -0.597 -18.447 -3.787 1.00 0.00 C ATOM 643 NE ARG A 446 -0.423 -17.285 -2.862 1.00 0.00 N ATOM 644 CZ ARG A 446 0.248 -17.405 -1.727 1.00 0.00 C ATOM 645 NH1 ARG A 446 0.796 -18.545 -1.372 1.00 0.00 N ATOM 646 NH2 ARG A 446 0.372 -16.370 -0.938 1.00 0.00 N ATOM 0 H ARG A 446 -4.694 -19.888 -2.241 1.00 0.00 H new ATOM 0 HA ARG A 446 -3.938 -21.628 -4.388 1.00 0.00 H new ATOM 0 HB2 ARG A 446 -1.418 -21.133 -4.280 1.00 0.00 H new ATOM 0 HB3 ARG A 446 -2.349 -19.881 -5.077 1.00 0.00 H new ATOM 0 HG2 ARG A 446 -2.469 -18.720 -2.739 1.00 0.00 H new ATOM 0 HG3 ARG A 446 -1.211 -19.838 -2.249 1.00 0.00 H new ATOM 0 HD2 ARG A 446 0.341 -18.984 -3.928 1.00 0.00 H new ATOM 0 HD3 ARG A 446 -0.930 -18.121 -4.773 1.00 0.00 H new ATOM 0 HE ARG A 446 -0.829 -16.383 -3.110 1.00 0.00 H new ATOM 0 HH11 ARG A 446 0.709 -19.362 -1.976 1.00 0.00 H new ATOM 0 HH12 ARG A 446 1.308 -18.613 -0.493 1.00 0.00 H new ATOM 0 HH21 ARG A 446 -0.047 -15.477 -1.198 1.00 0.00 H new ATOM 0 HH22 ARG A 446 0.888 -16.455 -0.062 1.00 0.00 H new ATOM 660 N ASN A 447 -2.929 -21.434 -1.238 1.00 0.00 N ATOM 661 CA ASN A 447 -2.651 -22.328 -0.073 1.00 0.00 C ATOM 662 C ASN A 447 -3.727 -22.139 1.009 1.00 0.00 C ATOM 663 O ASN A 447 -3.427 -21.755 2.125 1.00 0.00 O ATOM 664 CB ASN A 447 -1.278 -21.890 0.445 1.00 0.00 C ATOM 665 CG ASN A 447 -0.825 -22.843 1.557 1.00 0.00 C ATOM 666 OD1 ASN A 447 -0.968 -22.538 2.724 1.00 0.00 O ATOM 667 ND2 ASN A 447 -0.279 -23.995 1.250 1.00 0.00 N ATOM 0 H ASN A 447 -2.895 -20.435 -1.037 1.00 0.00 H new ATOM 0 HA ASN A 447 -2.662 -23.383 -0.348 1.00 0.00 H new ATOM 0 HB2 ASN A 447 -0.553 -21.892 -0.369 1.00 0.00 H new ATOM 0 HB3 ASN A 447 -1.329 -20.869 0.824 1.00 0.00 H new ATOM 0 HD21 ASN A 447 0.023 -24.629 1.989 1.00 0.00 H new ATOM 0 HD22 ASN A 447 -0.156 -24.257 0.272 1.00 0.00 H new ATOM 674 N VAL A 448 -4.980 -22.403 0.693 1.00 0.00 N ATOM 675 CA VAL A 448 -6.064 -22.230 1.724 1.00 0.00 C ATOM 676 C VAL A 448 -6.367 -23.553 2.441 1.00 0.00 C ATOM 677 O VAL A 448 -6.707 -23.563 3.611 1.00 0.00 O ATOM 678 CB VAL A 448 -7.302 -21.720 0.966 1.00 0.00 C ATOM 679 CG1 VAL A 448 -8.444 -21.458 1.956 1.00 0.00 C ATOM 680 CG2 VAL A 448 -6.960 -20.417 0.232 1.00 0.00 C ATOM 0 H VAL A 448 -5.296 -22.726 -0.221 1.00 0.00 H new ATOM 0 HA VAL A 448 -5.756 -21.527 2.498 1.00 0.00 H new ATOM 0 HB VAL A 448 -7.612 -22.475 0.243 1.00 0.00 H new ATOM 0 HG11 VAL A 448 -9.319 -21.097 1.415 1.00 0.00 H new ATOM 0 HG12 VAL A 448 -8.695 -22.383 2.475 1.00 0.00 H new ATOM 0 HG13 VAL A 448 -8.131 -20.708 2.682 1.00 0.00 H new ATOM 0 HG21 VAL A 448 -7.839 -20.059 -0.303 1.00 0.00 H new ATOM 0 HG22 VAL A 448 -6.644 -19.664 0.955 1.00 0.00 H new ATOM 0 HG23 VAL A 448 -6.153 -20.600 -0.477 1.00 0.00 H new ATOM 690 N LEU A 449 -6.250 -24.659 1.761 1.00 0.00 N ATOM 691 CA LEU A 449 -6.531 -25.978 2.404 1.00 0.00 C ATOM 692 C LEU A 449 -5.552 -27.041 1.883 1.00 0.00 C ATOM 693 O LEU A 449 -5.937 -28.164 1.617 1.00 0.00 O ATOM 694 CB LEU A 449 -7.964 -26.322 1.990 1.00 0.00 C ATOM 695 CG LEU A 449 -8.454 -27.530 2.792 1.00 0.00 C ATOM 696 CD1 LEU A 449 -9.239 -27.049 4.014 1.00 0.00 C ATOM 697 CD2 LEU A 449 -9.361 -28.393 1.912 1.00 0.00 C ATOM 0 H LEU A 449 -5.970 -24.709 0.781 1.00 0.00 H new ATOM 0 HA LEU A 449 -6.416 -25.943 3.487 1.00 0.00 H new ATOM 0 HB2 LEU A 449 -8.618 -25.468 2.164 1.00 0.00 H new ATOM 0 HB3 LEU A 449 -8.002 -26.541 0.923 1.00 0.00 H new ATOM 0 HG LEU A 449 -7.597 -28.119 3.120 1.00 0.00 H new ATOM 0 HD11 LEU A 449 -9.588 -27.910 4.584 1.00 0.00 H new ATOM 0 HD12 LEU A 449 -8.594 -26.435 4.642 1.00 0.00 H new ATOM 0 HD13 LEU A 449 -10.096 -26.459 3.687 1.00 0.00 H new ATOM 0 HD21 LEU A 449 -9.710 -29.253 2.483 1.00 0.00 H new ATOM 0 HD22 LEU A 449 -10.217 -27.804 1.584 1.00 0.00 H new ATOM 0 HD23 LEU A 449 -8.803 -28.737 1.042 1.00 0.00 H new ATOM 709 N ASP A 450 -4.285 -26.702 1.730 1.00 0.00 N ATOM 710 CA ASP A 450 -3.283 -27.698 1.222 1.00 0.00 C ATOM 711 C ASP A 450 -3.767 -28.331 -0.095 1.00 0.00 C ATOM 712 O ASP A 450 -3.723 -29.535 -0.258 1.00 0.00 O ATOM 713 CB ASP A 450 -3.171 -28.760 2.320 1.00 0.00 C ATOM 714 CG ASP A 450 -1.721 -29.236 2.426 1.00 0.00 C ATOM 715 OD1 ASP A 450 -1.242 -29.829 1.473 1.00 0.00 O ATOM 716 OD2 ASP A 450 -1.115 -28.999 3.458 1.00 0.00 O ATOM 0 H ASP A 450 -3.906 -25.778 1.936 1.00 0.00 H new ATOM 0 HA ASP A 450 -2.321 -27.231 1.011 1.00 0.00 H new ATOM 0 HB2 ASP A 450 -3.500 -28.348 3.274 1.00 0.00 H new ATOM 0 HB3 ASP A 450 -3.825 -29.602 2.094 1.00 0.00 H new ATOM 721 N GLU A 451 -4.229 -27.530 -1.035 1.00 0.00 N ATOM 722 CA GLU A 451 -4.712 -28.097 -2.330 1.00 0.00 C ATOM 723 C GLU A 451 -3.834 -27.603 -3.484 1.00 0.00 C ATOM 724 O GLU A 451 -3.038 -28.387 -3.974 1.00 0.00 O ATOM 725 CB GLU A 451 -6.142 -27.576 -2.483 1.00 0.00 C ATOM 726 CG GLU A 451 -6.889 -28.428 -3.510 1.00 0.00 C ATOM 727 CD GLU A 451 -6.782 -27.776 -4.891 1.00 0.00 C ATOM 728 OE1 GLU A 451 -7.611 -26.934 -5.192 1.00 0.00 O ATOM 729 OE2 GLU A 451 -5.873 -28.131 -5.622 1.00 0.00 O ATOM 730 OXT GLU A 451 -3.974 -26.450 -3.857 1.00 0.00 O ATOM 0 H GLU A 451 -4.290 -26.515 -0.956 1.00 0.00 H new ATOM 0 HA GLU A 451 -4.672 -29.186 -2.344 1.00 0.00 H new ATOM 0 HB2 GLU A 451 -6.657 -27.610 -1.523 1.00 0.00 H new ATOM 0 HB3 GLU A 451 -6.128 -26.533 -2.801 1.00 0.00 H new ATOM 0 HG2 GLU A 451 -6.470 -29.434 -3.538 1.00 0.00 H new ATOM 0 HG3 GLU A 451 -7.936 -28.527 -3.223 1.00 0.00 H new