USER MOD reduce.3.24.130724 H: found=0, std=0, add=580, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 582 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 456 GLN : amide:sc= 0.602 K(o=1.4,f=-0.57) USER MOD Set 1.2: A 460 GLN : amide:sc= 0.779 K(o=1.4,f=-0.2) USER MOD Set 2.1: A 420 MET CE :methyl -168:sc= 0 (180deg=-0.28) USER MOD Set 2.2: A 462 MET CE :methyl -158:sc=-0.00298 (180deg=-0.56) USER MOD Single : A 393 SER OG : rot 180:sc=0.000379 USER MOD Single : A 394 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 395 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 402 ASN : amide:sc= 0.848 K(o=0.85,f=-6.6!) USER MOD Single : A 406 TYR OH : rot 180:sc= 0 USER MOD Single : A 407 HIS : no HD1:sc= -0.0133 X(o=-0.013,f=0) USER MOD Single : A 410 GLN : amide:sc= 0.766 K(o=0.77,f=-0.0091) USER MOD Single : A 415 GLN : amide:sc= 0 X(o=0,f=-0.12) USER MOD Single : A 419 GLN : amide:sc=-0.00767 X(o=-0.0077,f=-0.37) USER MOD Single : A 422 MET CE :methyl -174:sc= -0.12 (180deg=-0.15) USER MOD Single : A 426 ASN : amide:sc= -0.0438 K(o=-0.044,f=-1) USER MOD Single : A 429 SER OG : rot -92:sc= -0.0208 USER MOD Single : A 431 LYS NZ :NH3+ 154:sc= 0.719 (180deg=0.367) USER MOD Single : A 442 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 443 CYS SG : rot -94:sc= 0.0178 USER MOD Single : A 448 SER OG : rot -148:sc= 0.328 USER MOD Single : A 449 TYR OH : rot -161:sc= 0.954 USER MOD Single : A 451 ASN : amide:sc= -0.137 X(o=-0.14,f=-0.14) USER MOD Single : A 454 SER OG : rot 180:sc= 0 USER MOD Single : A 461 SER OG : rot 98:sc= 1.07 USER MOD Single : A 463 ASN : amide:sc= 0.787 K(o=0.79,f=-6.4!) USER MOD Single : A 466 GLN : amide:sc= -0.124 X(o=-0.12,f=-0.12) USER MOD Single : A 473 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 475 GLN : amide:sc= 0.586 K(o=0.59,f=0) USER MOD Single : A 477 LYS NZ :NH3+ -166:sc= 1.17 (180deg=0.916) USER MOD ----------------------------------------------------------------- ATOM 182 N ALA A 391 -9.992 1.777 -2.133 1.00 0.00 N ATOM 183 CA ALA A 391 -9.869 0.485 -1.451 1.00 0.00 C ATOM 184 C ALA A 391 -10.304 -0.676 -2.363 1.00 0.00 C ATOM 185 O ALA A 391 -11.460 -0.762 -2.784 1.00 0.00 O ATOM 186 CB ALA A 391 -10.688 0.524 -0.155 1.00 0.00 C ATOM 0 HA ALA A 391 -8.822 0.308 -1.204 1.00 0.00 H new ATOM 0 HB1 ALA A 391 -10.602 -0.434 0.359 1.00 0.00 H new ATOM 0 HB2 ALA A 391 -10.310 1.317 0.490 1.00 0.00 H new ATOM 0 HB3 ALA A 391 -11.735 0.716 -0.392 1.00 0.00 H new ATOM 192 N GLY A 392 -9.356 -1.570 -2.658 1.00 0.00 N ATOM 193 CA GLY A 392 -9.519 -2.733 -3.534 1.00 0.00 C ATOM 194 C GLY A 392 -9.136 -2.452 -4.989 1.00 0.00 C ATOM 195 O GLY A 392 -9.066 -3.389 -5.784 1.00 0.00 O ATOM 0 H GLY A 392 -8.413 -1.500 -2.276 1.00 0.00 H new ATOM 0 HA2 GLY A 392 -8.908 -3.553 -3.156 1.00 0.00 H new ATOM 0 HA3 GLY A 392 -10.556 -3.065 -3.496 1.00 0.00 H new ATOM 199 N SER A 393 -8.855 -1.197 -5.339 1.00 0.00 N ATOM 200 CA SER A 393 -8.430 -0.792 -6.683 1.00 0.00 C ATOM 201 C SER A 393 -6.908 -0.949 -6.885 1.00 0.00 C ATOM 202 O SER A 393 -6.159 -1.237 -5.946 1.00 0.00 O ATOM 203 CB SER A 393 -8.904 0.644 -6.957 1.00 0.00 C ATOM 204 OG SER A 393 -8.804 0.953 -8.343 1.00 0.00 O ATOM 0 H SER A 393 -8.917 -0.417 -4.685 1.00 0.00 H new ATOM 0 HA SER A 393 -8.894 -1.458 -7.410 1.00 0.00 H new ATOM 0 HB2 SER A 393 -9.936 0.760 -6.627 1.00 0.00 H new ATOM 0 HB3 SER A 393 -8.304 1.347 -6.379 1.00 0.00 H new ATOM 0 HG SER A 393 -9.112 1.871 -8.497 1.00 0.00 H new ATOM 210 N GLN A 394 -6.437 -0.758 -8.119 1.00 0.00 N ATOM 211 CA GLN A 394 -5.025 -0.864 -8.510 1.00 0.00 C ATOM 212 C GLN A 394 -4.617 0.301 -9.437 1.00 0.00 C ATOM 213 O GLN A 394 -3.768 0.158 -10.319 1.00 0.00 O ATOM 214 CB GLN A 394 -4.742 -2.262 -9.103 1.00 0.00 C ATOM 215 CG GLN A 394 -4.878 -3.387 -8.058 1.00 0.00 C ATOM 216 CD GLN A 394 -4.501 -4.755 -8.627 1.00 0.00 C ATOM 217 OE1 GLN A 394 -5.348 -5.577 -8.955 1.00 0.00 O ATOM 218 NE2 GLN A 394 -3.226 -5.066 -8.757 1.00 0.00 N ATOM 0 H GLN A 394 -7.046 -0.517 -8.901 1.00 0.00 H new ATOM 0 HA GLN A 394 -4.393 -0.768 -7.627 1.00 0.00 H new ATOM 0 HB2 GLN A 394 -5.432 -2.450 -9.926 1.00 0.00 H new ATOM 0 HB3 GLN A 394 -3.735 -2.279 -9.521 1.00 0.00 H new ATOM 0 HG2 GLN A 394 -4.241 -3.164 -7.202 1.00 0.00 H new ATOM 0 HG3 GLN A 394 -5.904 -3.418 -7.692 1.00 0.00 H new ATOM 0 HE21 GLN A 394 -2.507 -4.394 -8.489 1.00 0.00 H new ATOM 0 HE22 GLN A 394 -2.959 -5.979 -9.126 1.00 0.00 H new ATOM 227 N LYS A 395 -5.232 1.474 -9.241 1.00 0.00 N ATOM 228 CA LYS A 395 -4.817 2.734 -9.867 1.00 0.00 C ATOM 229 C LYS A 395 -3.464 3.243 -9.330 1.00 0.00 C ATOM 230 O LYS A 395 -2.994 2.827 -8.268 1.00 0.00 O ATOM 231 CB LYS A 395 -5.907 3.801 -9.646 1.00 0.00 C ATOM 232 CG LYS A 395 -6.919 3.878 -10.797 1.00 0.00 C ATOM 233 CD LYS A 395 -7.653 5.228 -10.812 1.00 0.00 C ATOM 234 CE LYS A 395 -6.701 6.382 -11.186 1.00 0.00 C ATOM 235 NZ LYS A 395 -7.416 7.683 -11.263 1.00 0.00 N ATOM 0 H LYS A 395 -6.045 1.575 -8.633 1.00 0.00 H new ATOM 0 HA LYS A 395 -4.686 2.544 -10.932 1.00 0.00 H new ATOM 0 HB2 LYS A 395 -6.437 3.583 -8.719 1.00 0.00 H new ATOM 0 HB3 LYS A 395 -5.433 4.775 -9.521 1.00 0.00 H new ATOM 0 HG2 LYS A 395 -6.404 3.732 -11.746 1.00 0.00 H new ATOM 0 HG3 LYS A 395 -7.644 3.070 -10.700 1.00 0.00 H new ATOM 0 HD2 LYS A 395 -8.477 5.188 -11.525 1.00 0.00 H new ATOM 0 HD3 LYS A 395 -8.089 5.418 -9.831 1.00 0.00 H new ATOM 0 HE2 LYS A 395 -5.903 6.449 -10.447 1.00 0.00 H new ATOM 0 HE3 LYS A 395 -6.230 6.168 -12.146 1.00 0.00 H new ATOM 0 HZ1 LYS A 395 -6.743 8.434 -11.517 1.00 0.00 H new ATOM 0 HZ2 LYS A 395 -8.161 7.627 -11.986 1.00 0.00 H new ATOM 0 HZ3 LYS A 395 -7.844 7.899 -10.340 1.00 0.00 H new ATOM 249 N GLU A 396 -2.860 4.209 -10.030 1.00 0.00 N ATOM 250 CA GLU A 396 -1.586 4.812 -9.633 1.00 0.00 C ATOM 251 C GLU A 396 -1.515 6.318 -9.917 1.00 0.00 C ATOM 252 O GLU A 396 -2.219 6.844 -10.784 1.00 0.00 O ATOM 253 CB GLU A 396 -0.410 4.103 -10.336 1.00 0.00 C ATOM 254 CG GLU A 396 -0.276 2.613 -10.002 1.00 0.00 C ATOM 255 CD GLU A 396 1.028 2.048 -10.571 1.00 0.00 C ATOM 256 OE1 GLU A 396 1.057 1.624 -11.750 1.00 0.00 O ATOM 257 OE2 GLU A 396 2.052 2.031 -9.850 1.00 0.00 O ATOM 0 H GLU A 396 -3.244 4.596 -10.892 1.00 0.00 H new ATOM 0 HA GLU A 396 -1.513 4.681 -8.553 1.00 0.00 H new ATOM 0 HB2 GLU A 396 -0.529 4.212 -11.414 1.00 0.00 H new ATOM 0 HB3 GLU A 396 0.517 4.608 -10.065 1.00 0.00 H new ATOM 0 HG2 GLU A 396 -0.298 2.474 -8.921 1.00 0.00 H new ATOM 0 HG3 GLU A 396 -1.125 2.065 -10.411 1.00 0.00 H new ATOM 264 N GLY A 397 -0.636 6.995 -9.172 1.00 0.00 N ATOM 265 CA GLY A 397 -0.302 8.416 -9.306 1.00 0.00 C ATOM 266 C GLY A 397 1.011 8.662 -10.071 1.00 0.00 C ATOM 267 O GLY A 397 1.558 7.723 -10.664 1.00 0.00 O ATOM 0 H GLY A 397 -0.112 6.544 -8.422 1.00 0.00 H new ATOM 0 HA2 GLY A 397 -1.116 8.927 -9.821 1.00 0.00 H new ATOM 0 HA3 GLY A 397 -0.225 8.859 -8.313 1.00 0.00 H new ATOM 271 N PRO A 398 1.525 9.910 -10.060 1.00 0.00 N ATOM 272 CA PRO A 398 2.757 10.297 -10.753 1.00 0.00 C ATOM 273 C PRO A 398 4.015 9.680 -10.116 1.00 0.00 C ATOM 274 O PRO A 398 3.950 9.016 -9.081 1.00 0.00 O ATOM 275 CB PRO A 398 2.771 11.833 -10.711 1.00 0.00 C ATOM 276 CG PRO A 398 2.002 12.161 -9.434 1.00 0.00 C ATOM 277 CD PRO A 398 0.935 11.069 -9.397 1.00 0.00 C ATOM 0 HA PRO A 398 2.773 9.922 -11.776 1.00 0.00 H new ATOM 0 HB2 PRO A 398 3.788 12.224 -10.679 1.00 0.00 H new ATOM 0 HB3 PRO A 398 2.291 12.263 -11.590 1.00 0.00 H new ATOM 0 HG2 PRO A 398 2.645 12.129 -8.554 1.00 0.00 H new ATOM 0 HG3 PRO A 398 1.561 13.157 -9.471 1.00 0.00 H new ATOM 0 HD2 PRO A 398 0.655 10.831 -8.371 1.00 0.00 H new ATOM 0 HD3 PRO A 398 0.028 11.392 -9.908 1.00 0.00 H new ATOM 285 N GLU A 399 5.175 9.901 -10.742 1.00 0.00 N ATOM 286 CA GLU A 399 6.471 9.392 -10.277 1.00 0.00 C ATOM 287 C GLU A 399 6.786 9.875 -8.847 1.00 0.00 C ATOM 288 O GLU A 399 6.821 11.079 -8.572 1.00 0.00 O ATOM 289 CB GLU A 399 7.568 9.807 -11.274 1.00 0.00 C ATOM 290 CG GLU A 399 8.926 9.170 -10.954 1.00 0.00 C ATOM 291 CD GLU A 399 9.969 9.545 -12.018 1.00 0.00 C ATOM 292 OE1 GLU A 399 10.103 8.811 -13.026 1.00 0.00 O ATOM 293 OE2 GLU A 399 10.668 10.574 -11.852 1.00 0.00 O ATOM 0 H GLU A 399 5.242 10.448 -11.601 1.00 0.00 H new ATOM 0 HA GLU A 399 6.431 8.304 -10.234 1.00 0.00 H new ATOM 0 HB2 GLU A 399 7.265 9.522 -12.281 1.00 0.00 H new ATOM 0 HB3 GLU A 399 7.669 10.892 -11.267 1.00 0.00 H new ATOM 0 HG2 GLU A 399 9.266 9.501 -9.973 1.00 0.00 H new ATOM 0 HG3 GLU A 399 8.822 8.086 -10.906 1.00 0.00 H new ATOM 300 N GLY A 400 6.999 8.924 -7.929 1.00 0.00 N ATOM 301 CA GLY A 400 7.240 9.174 -6.500 1.00 0.00 C ATOM 302 C GLY A 400 5.976 9.190 -5.631 1.00 0.00 C ATOM 303 O GLY A 400 6.088 9.338 -4.416 1.00 0.00 O ATOM 0 H GLY A 400 7.009 7.932 -8.165 1.00 0.00 H new ATOM 0 HA2 GLY A 400 7.916 8.408 -6.120 1.00 0.00 H new ATOM 0 HA3 GLY A 400 7.750 10.131 -6.393 1.00 0.00 H new ATOM 307 N ALA A 401 4.784 9.018 -6.217 1.00 0.00 N ATOM 308 CA ALA A 401 3.499 8.997 -5.505 1.00 0.00 C ATOM 309 C ALA A 401 2.959 7.581 -5.206 1.00 0.00 C ATOM 310 O ALA A 401 1.829 7.444 -4.737 1.00 0.00 O ATOM 311 CB ALA A 401 2.494 9.842 -6.296 1.00 0.00 C ATOM 0 H ALA A 401 4.684 8.886 -7.223 1.00 0.00 H new ATOM 0 HA ALA A 401 3.659 9.427 -4.516 1.00 0.00 H new ATOM 0 HB1 ALA A 401 1.532 9.839 -5.783 1.00 0.00 H new ATOM 0 HB2 ALA A 401 2.861 10.866 -6.373 1.00 0.00 H new ATOM 0 HB3 ALA A 401 2.373 9.423 -7.295 1.00 0.00 H new ATOM 317 N ASN A 402 3.743 6.532 -5.482 1.00 0.00 N ATOM 318 CA ASN A 402 3.328 5.124 -5.425 1.00 0.00 C ATOM 319 C ASN A 402 4.152 4.345 -4.381 1.00 0.00 C ATOM 320 O ASN A 402 5.384 4.308 -4.455 1.00 0.00 O ATOM 321 CB ASN A 402 3.462 4.531 -6.838 1.00 0.00 C ATOM 322 CG ASN A 402 2.590 5.278 -7.847 1.00 0.00 C ATOM 323 OD1 ASN A 402 1.383 5.401 -7.683 1.00 0.00 O ATOM 324 ND2 ASN A 402 3.177 5.838 -8.889 1.00 0.00 N ATOM 0 H ASN A 402 4.718 6.643 -5.761 1.00 0.00 H new ATOM 0 HA ASN A 402 2.289 5.046 -5.103 1.00 0.00 H new ATOM 0 HB2 ASN A 402 4.504 4.575 -7.154 1.00 0.00 H new ATOM 0 HB3 ASN A 402 3.178 3.479 -6.820 1.00 0.00 H new ATOM 0 HD21 ASN A 402 2.625 6.374 -9.558 1.00 0.00 H new ATOM 0 HD22 ASN A 402 4.183 5.735 -9.024 1.00 0.00 H new ATOM 331 N LEU A 403 3.467 3.742 -3.402 1.00 0.00 N ATOM 332 CA LEU A 403 4.030 3.140 -2.186 1.00 0.00 C ATOM 333 C LEU A 403 3.638 1.668 -2.030 1.00 0.00 C ATOM 334 O LEU A 403 2.473 1.312 -2.221 1.00 0.00 O ATOM 335 CB LEU A 403 3.490 3.862 -0.929 1.00 0.00 C ATOM 336 CG LEU A 403 3.496 5.399 -0.901 1.00 0.00 C ATOM 337 CD1 LEU A 403 3.049 5.866 0.490 1.00 0.00 C ATOM 338 CD2 LEU A 403 4.878 5.959 -1.221 1.00 0.00 C ATOM 0 H LEU A 403 2.451 3.656 -3.438 1.00 0.00 H new ATOM 0 HA LEU A 403 5.112 3.233 -2.281 1.00 0.00 H new ATOM 0 HB2 LEU A 403 2.463 3.533 -0.774 1.00 0.00 H new ATOM 0 HB3 LEU A 403 4.069 3.514 -0.073 1.00 0.00 H new ATOM 0 HG LEU A 403 2.810 5.768 -1.663 1.00 0.00 H new ATOM 0 HD11 LEU A 403 3.048 6.955 0.525 1.00 0.00 H new ATOM 0 HD12 LEU A 403 2.044 5.496 0.693 1.00 0.00 H new ATOM 0 HD13 LEU A 403 3.737 5.479 1.242 1.00 0.00 H new ATOM 0 HD21 LEU A 403 4.845 7.048 -1.192 1.00 0.00 H new ATOM 0 HD22 LEU A 403 5.596 5.598 -0.485 1.00 0.00 H new ATOM 0 HD23 LEU A 403 5.182 5.631 -2.215 1.00 0.00 H new ATOM 350 N PHE A 404 4.581 0.851 -1.568 1.00 0.00 N ATOM 351 CA PHE A 404 4.376 -0.521 -1.109 1.00 0.00 C ATOM 352 C PHE A 404 4.592 -0.572 0.411 1.00 0.00 C ATOM 353 O PHE A 404 5.547 0.007 0.934 1.00 0.00 O ATOM 354 CB PHE A 404 5.316 -1.474 -1.853 1.00 0.00 C ATOM 355 CG PHE A 404 4.936 -1.698 -3.303 1.00 0.00 C ATOM 356 CD1 PHE A 404 5.360 -0.797 -4.298 1.00 0.00 C ATOM 357 CD2 PHE A 404 4.134 -2.802 -3.657 1.00 0.00 C ATOM 358 CE1 PHE A 404 4.982 -0.998 -5.637 1.00 0.00 C ATOM 359 CE2 PHE A 404 3.765 -3.007 -4.998 1.00 0.00 C ATOM 360 CZ PHE A 404 4.190 -2.105 -5.989 1.00 0.00 C ATOM 0 H PHE A 404 5.556 1.141 -1.500 1.00 0.00 H new ATOM 0 HA PHE A 404 3.357 -0.844 -1.325 1.00 0.00 H new ATOM 0 HB2 PHE A 404 6.330 -1.077 -1.810 1.00 0.00 H new ATOM 0 HB3 PHE A 404 5.328 -2.434 -1.337 1.00 0.00 H new ATOM 0 HD1 PHE A 404 5.976 0.049 -4.032 1.00 0.00 H new ATOM 0 HD2 PHE A 404 3.802 -3.492 -2.896 1.00 0.00 H new ATOM 0 HE1 PHE A 404 5.301 -0.300 -6.397 1.00 0.00 H new ATOM 0 HE2 PHE A 404 3.155 -3.857 -5.267 1.00 0.00 H new ATOM 0 HZ PHE A 404 3.908 -2.262 -7.020 1.00 0.00 H new ATOM 370 N ILE A 405 3.669 -1.223 1.119 1.00 0.00 N ATOM 371 CA ILE A 405 3.570 -1.255 2.586 1.00 0.00 C ATOM 372 C ILE A 405 3.710 -2.712 3.035 1.00 0.00 C ATOM 373 O ILE A 405 3.076 -3.595 2.462 1.00 0.00 O ATOM 374 CB ILE A 405 2.215 -0.663 3.067 1.00 0.00 C ATOM 375 CG1 ILE A 405 1.983 0.842 2.785 1.00 0.00 C ATOM 376 CG2 ILE A 405 2.081 -0.824 4.595 1.00 0.00 C ATOM 377 CD1 ILE A 405 1.910 1.290 1.325 1.00 0.00 C ATOM 0 H ILE A 405 2.934 -1.769 0.669 1.00 0.00 H new ATOM 0 HA ILE A 405 4.361 -0.646 3.024 1.00 0.00 H new ATOM 0 HB ILE A 405 1.481 -1.226 2.490 1.00 0.00 H new ATOM 0 HG12 ILE A 405 1.053 1.135 3.272 1.00 0.00 H new ATOM 0 HG13 ILE A 405 2.785 1.401 3.267 1.00 0.00 H new ATOM 0 HG21 ILE A 405 1.129 -0.407 4.923 1.00 0.00 H new ATOM 0 HG22 ILE A 405 2.122 -1.882 4.854 1.00 0.00 H new ATOM 0 HG23 ILE A 405 2.897 -0.297 5.089 1.00 0.00 H new ATOM 0 HD11 ILE A 405 1.744 2.367 1.283 1.00 0.00 H new ATOM 0 HD12 ILE A 405 2.846 1.047 0.823 1.00 0.00 H new ATOM 0 HD13 ILE A 405 1.087 0.777 0.828 1.00 0.00 H new ATOM 389 N TYR A 406 4.507 -2.966 4.070 1.00 0.00 N ATOM 390 CA TYR A 406 4.854 -4.307 4.554 1.00 0.00 C ATOM 391 C TYR A 406 4.720 -4.437 6.081 1.00 0.00 C ATOM 392 O TYR A 406 4.785 -3.452 6.819 1.00 0.00 O ATOM 393 CB TYR A 406 6.287 -4.652 4.111 1.00 0.00 C ATOM 394 CG TYR A 406 6.547 -4.574 2.617 1.00 0.00 C ATOM 395 CD1 TYR A 406 6.986 -3.367 2.038 1.00 0.00 C ATOM 396 CD2 TYR A 406 6.372 -5.714 1.809 1.00 0.00 C ATOM 397 CE1 TYR A 406 7.245 -3.296 0.656 1.00 0.00 C ATOM 398 CE2 TYR A 406 6.625 -5.650 0.425 1.00 0.00 C ATOM 399 CZ TYR A 406 7.066 -4.440 -0.155 1.00 0.00 C ATOM 400 OH TYR A 406 7.324 -4.370 -1.491 1.00 0.00 O ATOM 0 H TYR A 406 4.945 -2.223 4.615 1.00 0.00 H new ATOM 0 HA TYR A 406 4.147 -5.012 4.117 1.00 0.00 H new ATOM 0 HB2 TYR A 406 6.977 -3.978 4.618 1.00 0.00 H new ATOM 0 HB3 TYR A 406 6.520 -5.661 4.450 1.00 0.00 H new ATOM 0 HD1 TYR A 406 7.124 -2.493 2.657 1.00 0.00 H new ATOM 0 HD2 TYR A 406 6.042 -6.642 2.253 1.00 0.00 H new ATOM 0 HE1 TYR A 406 7.580 -2.368 0.216 1.00 0.00 H new ATOM 0 HE2 TYR A 406 6.482 -6.525 -0.192 1.00 0.00 H new ATOM 0 HH TYR A 406 7.152 -5.242 -1.904 1.00 0.00 H new ATOM 410 N HIS A 407 4.541 -5.680 6.540 1.00 0.00 N ATOM 411 CA HIS A 407 4.417 -6.114 7.942 1.00 0.00 C ATOM 412 C HIS A 407 3.051 -5.771 8.585 1.00 0.00 C ATOM 413 O HIS A 407 2.958 -5.587 9.800 1.00 0.00 O ATOM 414 CB HIS A 407 5.627 -5.672 8.778 1.00 0.00 C ATOM 415 CG HIS A 407 6.949 -6.001 8.144 1.00 0.00 C ATOM 416 ND1 HIS A 407 7.398 -7.262 7.738 1.00 0.00 N ATOM 417 CD2 HIS A 407 7.881 -5.073 7.816 1.00 0.00 C ATOM 418 CE1 HIS A 407 8.600 -7.045 7.174 1.00 0.00 C ATOM 419 NE2 HIS A 407 8.920 -5.740 7.212 1.00 0.00 N ATOM 0 H HIS A 407 4.474 -6.469 5.897 1.00 0.00 H new ATOM 0 HA HIS A 407 4.431 -7.204 7.931 1.00 0.00 H new ATOM 0 HB2 HIS A 407 5.570 -4.596 8.943 1.00 0.00 H new ATOM 0 HB3 HIS A 407 5.575 -6.148 9.757 1.00 0.00 H new ATOM 0 HD2 HIS A 407 7.819 -4.010 7.995 1.00 0.00 H new ATOM 0 HE1 HIS A 407 9.224 -7.816 6.748 1.00 0.00 H new ATOM 0 HE2 HIS A 407 9.779 -5.320 6.857 1.00 0.00 H new ATOM 427 N LEU A 408 1.985 -5.680 7.781 1.00 0.00 N ATOM 428 CA LEU A 408 0.621 -5.332 8.218 1.00 0.00 C ATOM 429 C LEU A 408 0.023 -6.401 9.160 1.00 0.00 C ATOM 430 O LEU A 408 0.462 -7.555 9.121 1.00 0.00 O ATOM 431 CB LEU A 408 -0.278 -5.122 6.977 1.00 0.00 C ATOM 432 CG LEU A 408 0.042 -3.859 6.150 1.00 0.00 C ATOM 433 CD1 LEU A 408 -0.660 -3.935 4.785 1.00 0.00 C ATOM 434 CD2 LEU A 408 -0.416 -2.585 6.875 1.00 0.00 C ATOM 0 H LEU A 408 2.046 -5.851 6.777 1.00 0.00 H new ATOM 0 HA LEU A 408 0.671 -4.406 8.790 1.00 0.00 H new ATOM 0 HB2 LEU A 408 -0.189 -5.995 6.330 1.00 0.00 H new ATOM 0 HB3 LEU A 408 -1.317 -5.072 7.303 1.00 0.00 H new ATOM 0 HG LEU A 408 1.123 -3.816 6.015 1.00 0.00 H new ATOM 0 HD11 LEU A 408 -0.429 -3.040 4.207 1.00 0.00 H new ATOM 0 HD12 LEU A 408 -0.312 -4.815 4.245 1.00 0.00 H new ATOM 0 HD13 LEU A 408 -1.738 -4.003 4.933 1.00 0.00 H new ATOM 0 HD21 LEU A 408 -0.176 -1.714 6.266 1.00 0.00 H new ATOM 0 HD22 LEU A 408 -1.493 -2.627 7.040 1.00 0.00 H new ATOM 0 HD23 LEU A 408 0.095 -2.509 7.835 1.00 0.00 H new ATOM 446 N PRO A 409 -0.975 -6.056 10.000 1.00 0.00 N ATOM 447 CA PRO A 409 -1.750 -7.028 10.772 1.00 0.00 C ATOM 448 C PRO A 409 -2.400 -8.092 9.876 1.00 0.00 C ATOM 449 O PRO A 409 -2.708 -7.832 8.712 1.00 0.00 O ATOM 450 CB PRO A 409 -2.809 -6.214 11.527 1.00 0.00 C ATOM 451 CG PRO A 409 -2.174 -4.829 11.637 1.00 0.00 C ATOM 452 CD PRO A 409 -1.409 -4.703 10.323 1.00 0.00 C ATOM 0 HA PRO A 409 -1.106 -7.582 11.455 1.00 0.00 H new ATOM 0 HB2 PRO A 409 -3.754 -6.182 10.984 1.00 0.00 H new ATOM 0 HB3 PRO A 409 -3.019 -6.639 12.508 1.00 0.00 H new ATOM 0 HG2 PRO A 409 -2.925 -4.047 11.744 1.00 0.00 H new ATOM 0 HG3 PRO A 409 -1.512 -4.755 12.499 1.00 0.00 H new ATOM 0 HD2 PRO A 409 -2.043 -4.295 9.536 1.00 0.00 H new ATOM 0 HD3 PRO A 409 -0.557 -4.031 10.427 1.00 0.00 H new ATOM 460 N GLN A 410 -2.636 -9.290 10.418 1.00 0.00 N ATOM 461 CA GLN A 410 -3.260 -10.390 9.670 1.00 0.00 C ATOM 462 C GLN A 410 -4.732 -10.098 9.312 1.00 0.00 C ATOM 463 O GLN A 410 -5.225 -10.569 8.286 1.00 0.00 O ATOM 464 CB GLN A 410 -3.121 -11.684 10.498 1.00 0.00 C ATOM 465 CG GLN A 410 -3.733 -12.941 9.854 1.00 0.00 C ATOM 466 CD GLN A 410 -3.087 -13.298 8.512 1.00 0.00 C ATOM 467 OE1 GLN A 410 -2.155 -14.088 8.424 1.00 0.00 O ATOM 468 NE2 GLN A 410 -3.548 -12.712 7.428 1.00 0.00 N ATOM 0 H GLN A 410 -2.402 -9.526 11.382 1.00 0.00 H new ATOM 0 HA GLN A 410 -2.745 -10.506 8.716 1.00 0.00 H new ATOM 0 HB2 GLN A 410 -2.062 -11.868 10.681 1.00 0.00 H new ATOM 0 HB3 GLN A 410 -3.590 -11.527 11.469 1.00 0.00 H new ATOM 0 HG2 GLN A 410 -3.626 -13.783 10.538 1.00 0.00 H new ATOM 0 HG3 GLN A 410 -4.802 -12.784 9.707 1.00 0.00 H new ATOM 0 HE21 GLN A 410 -4.324 -12.053 7.495 1.00 0.00 H new ATOM 0 HE22 GLN A 410 -3.130 -12.916 6.521 1.00 0.00 H new ATOM 477 N GLU A 411 -5.422 -9.307 10.138 1.00 0.00 N ATOM 478 CA GLU A 411 -6.836 -8.941 9.969 1.00 0.00 C ATOM 479 C GLU A 411 -7.077 -7.720 9.059 1.00 0.00 C ATOM 480 O GLU A 411 -8.222 -7.418 8.713 1.00 0.00 O ATOM 481 CB GLU A 411 -7.457 -8.711 11.354 1.00 0.00 C ATOM 482 CG GLU A 411 -6.902 -7.493 12.110 1.00 0.00 C ATOM 483 CD GLU A 411 -7.538 -7.384 13.505 1.00 0.00 C ATOM 484 OE1 GLU A 411 -8.597 -6.728 13.644 1.00 0.00 O ATOM 485 OE2 GLU A 411 -6.980 -7.955 14.472 1.00 0.00 O ATOM 0 H GLU A 411 -5.002 -8.890 10.969 1.00 0.00 H new ATOM 0 HA GLU A 411 -7.318 -9.773 9.456 1.00 0.00 H new ATOM 0 HB2 GLU A 411 -8.534 -8.591 11.239 1.00 0.00 H new ATOM 0 HB3 GLU A 411 -7.299 -9.602 11.961 1.00 0.00 H new ATOM 0 HG2 GLU A 411 -5.819 -7.579 12.204 1.00 0.00 H new ATOM 0 HG3 GLU A 411 -7.101 -6.584 11.542 1.00 0.00 H new ATOM 492 N PHE A 412 -6.010 -7.006 8.687 1.00 0.00 N ATOM 493 CA PHE A 412 -6.061 -5.766 7.904 1.00 0.00 C ATOM 494 C PHE A 412 -6.534 -6.020 6.462 1.00 0.00 C ATOM 495 O PHE A 412 -5.984 -6.880 5.767 1.00 0.00 O ATOM 496 CB PHE A 412 -4.678 -5.083 7.924 1.00 0.00 C ATOM 497 CG PHE A 412 -4.679 -3.653 8.427 1.00 0.00 C ATOM 498 CD1 PHE A 412 -4.998 -3.386 9.772 1.00 0.00 C ATOM 499 CD2 PHE A 412 -4.309 -2.596 7.573 1.00 0.00 C ATOM 500 CE1 PHE A 412 -4.943 -2.070 10.264 1.00 0.00 C ATOM 501 CE2 PHE A 412 -4.249 -1.283 8.068 1.00 0.00 C ATOM 502 CZ PHE A 412 -4.566 -1.018 9.411 1.00 0.00 C ATOM 0 H PHE A 412 -5.059 -7.283 8.929 1.00 0.00 H new ATOM 0 HA PHE A 412 -6.793 -5.101 8.362 1.00 0.00 H new ATOM 0 HB2 PHE A 412 -4.007 -5.672 8.549 1.00 0.00 H new ATOM 0 HB3 PHE A 412 -4.267 -5.097 6.914 1.00 0.00 H new ATOM 0 HD1 PHE A 412 -5.286 -4.194 10.428 1.00 0.00 H new ATOM 0 HD2 PHE A 412 -4.072 -2.795 6.538 1.00 0.00 H new ATOM 0 HE1 PHE A 412 -5.190 -1.868 11.296 1.00 0.00 H new ATOM 0 HE2 PHE A 412 -3.958 -0.474 7.414 1.00 0.00 H new ATOM 0 HZ PHE A 412 -4.520 -0.007 9.788 1.00 0.00 H new ATOM 512 N GLY A 413 -7.531 -5.254 6.008 1.00 0.00 N ATOM 513 CA GLY A 413 -8.035 -5.247 4.631 1.00 0.00 C ATOM 514 C GLY A 413 -7.777 -3.930 3.899 1.00 0.00 C ATOM 515 O GLY A 413 -7.122 -3.019 4.406 1.00 0.00 O ATOM 0 H GLY A 413 -8.027 -4.598 6.611 1.00 0.00 H new ATOM 0 HA2 GLY A 413 -7.567 -6.061 4.076 1.00 0.00 H new ATOM 0 HA3 GLY A 413 -9.107 -5.444 4.643 1.00 0.00 H new ATOM 519 N ASP A 414 -8.318 -3.825 2.685 1.00 0.00 N ATOM 520 CA ASP A 414 -8.087 -2.693 1.775 1.00 0.00 C ATOM 521 C ASP A 414 -8.630 -1.362 2.322 1.00 0.00 C ATOM 522 O ASP A 414 -8.028 -0.308 2.116 1.00 0.00 O ATOM 523 CB ASP A 414 -8.743 -2.983 0.418 1.00 0.00 C ATOM 524 CG ASP A 414 -8.380 -4.360 -0.150 1.00 0.00 C ATOM 525 OD1 ASP A 414 -7.271 -4.491 -0.714 1.00 0.00 O ATOM 526 OD2 ASP A 414 -9.198 -5.299 -0.011 1.00 0.00 O ATOM 0 H ASP A 414 -8.940 -4.534 2.296 1.00 0.00 H new ATOM 0 HA ASP A 414 -7.007 -2.586 1.671 1.00 0.00 H new ATOM 0 HB2 ASP A 414 -9.826 -2.916 0.524 1.00 0.00 H new ATOM 0 HB3 ASP A 414 -8.444 -2.214 -0.294 1.00 0.00 H new ATOM 531 N GLN A 415 -9.755 -1.417 3.044 1.00 0.00 N ATOM 532 CA GLN A 415 -10.381 -0.250 3.672 1.00 0.00 C ATOM 533 C GLN A 415 -9.640 0.177 4.946 1.00 0.00 C ATOM 534 O GLN A 415 -9.569 1.370 5.232 1.00 0.00 O ATOM 535 CB GLN A 415 -11.858 -0.547 3.986 1.00 0.00 C ATOM 536 CG GLN A 415 -12.712 -0.735 2.719 1.00 0.00 C ATOM 537 CD GLN A 415 -14.196 -0.970 3.024 1.00 0.00 C ATOM 538 OE1 GLN A 415 -14.578 -1.621 3.990 1.00 0.00 O ATOM 539 NE2 GLN A 415 -15.100 -0.453 2.215 1.00 0.00 N ATOM 0 H GLN A 415 -10.263 -2.286 3.210 1.00 0.00 H new ATOM 0 HA GLN A 415 -10.323 0.578 2.966 1.00 0.00 H new ATOM 0 HB2 GLN A 415 -11.921 -1.447 4.598 1.00 0.00 H new ATOM 0 HB3 GLN A 415 -12.270 0.270 4.578 1.00 0.00 H new ATOM 0 HG2 GLN A 415 -12.612 0.147 2.087 1.00 0.00 H new ATOM 0 HG3 GLN A 415 -12.326 -1.581 2.150 1.00 0.00 H new ATOM 0 HE21 GLN A 415 -14.807 0.093 1.405 1.00 0.00 H new ATOM 0 HE22 GLN A 415 -16.093 -0.599 2.400 1.00 0.00 H new ATOM 548 N ASP A 416 -9.035 -0.762 5.683 1.00 0.00 N ATOM 549 CA ASP A 416 -8.203 -0.456 6.852 1.00 0.00 C ATOM 550 C ASP A 416 -6.917 0.266 6.427 1.00 0.00 C ATOM 551 O ASP A 416 -6.530 1.261 7.043 1.00 0.00 O ATOM 552 CB ASP A 416 -7.859 -1.741 7.620 1.00 0.00 C ATOM 553 CG ASP A 416 -9.100 -2.491 8.117 1.00 0.00 C ATOM 554 OD1 ASP A 416 -9.753 -2.014 9.077 1.00 0.00 O ATOM 555 OD2 ASP A 416 -9.402 -3.568 7.552 1.00 0.00 O ATOM 0 H ASP A 416 -9.109 -1.760 5.484 1.00 0.00 H new ATOM 0 HA ASP A 416 -8.770 0.203 7.510 1.00 0.00 H new ATOM 0 HB2 ASP A 416 -7.278 -2.399 6.974 1.00 0.00 H new ATOM 0 HB3 ASP A 416 -7.227 -1.491 8.472 1.00 0.00 H new ATOM 560 N LEU A 417 -6.298 -0.186 5.326 1.00 0.00 N ATOM 561 CA LEU A 417 -5.135 0.468 4.734 1.00 0.00 C ATOM 562 C LEU A 417 -5.487 1.859 4.188 1.00 0.00 C ATOM 563 O LEU A 417 -4.732 2.800 4.424 1.00 0.00 O ATOM 564 CB LEU A 417 -4.524 -0.456 3.666 1.00 0.00 C ATOM 565 CG LEU A 417 -3.129 -0.003 3.185 1.00 0.00 C ATOM 566 CD1 LEU A 417 -2.086 -0.084 4.311 1.00 0.00 C ATOM 567 CD2 LEU A 417 -2.676 -0.885 2.014 1.00 0.00 C ATOM 0 H LEU A 417 -6.597 -1.021 4.823 1.00 0.00 H new ATOM 0 HA LEU A 417 -4.383 0.638 5.504 1.00 0.00 H new ATOM 0 HB2 LEU A 417 -4.450 -1.466 4.070 1.00 0.00 H new ATOM 0 HB3 LEU A 417 -5.197 -0.503 2.810 1.00 0.00 H new ATOM 0 HG LEU A 417 -3.208 1.037 2.868 1.00 0.00 H new ATOM 0 HD11 LEU A 417 -1.117 0.243 3.934 1.00 0.00 H new ATOM 0 HD12 LEU A 417 -2.390 0.560 5.136 1.00 0.00 H new ATOM 0 HD13 LEU A 417 -2.010 -1.113 4.663 1.00 0.00 H new ATOM 0 HD21 LEU A 417 -1.691 -0.563 1.676 1.00 0.00 H new ATOM 0 HD22 LEU A 417 -2.627 -1.924 2.339 1.00 0.00 H new ATOM 0 HD23 LEU A 417 -3.388 -0.795 1.194 1.00 0.00 H new ATOM 579 N LEU A 418 -6.647 2.019 3.536 1.00 0.00 N ATOM 580 CA LEU A 418 -7.131 3.324 3.075 1.00 0.00 C ATOM 581 C LEU A 418 -7.345 4.289 4.251 1.00 0.00 C ATOM 582 O LEU A 418 -6.816 5.398 4.235 1.00 0.00 O ATOM 583 CB LEU A 418 -8.418 3.133 2.245 1.00 0.00 C ATOM 584 CG LEU A 418 -9.018 4.445 1.693 1.00 0.00 C ATOM 585 CD1 LEU A 418 -8.064 5.157 0.726 1.00 0.00 C ATOM 586 CD2 LEU A 418 -10.349 4.166 0.985 1.00 0.00 C ATOM 0 H LEU A 418 -7.275 1.246 3.314 1.00 0.00 H new ATOM 0 HA LEU A 418 -6.373 3.778 2.436 1.00 0.00 H new ATOM 0 HB2 LEU A 418 -8.203 2.466 1.410 1.00 0.00 H new ATOM 0 HB3 LEU A 418 -9.166 2.637 2.864 1.00 0.00 H new ATOM 0 HG LEU A 418 -9.183 5.103 2.546 1.00 0.00 H new ATOM 0 HD11 LEU A 418 -8.530 6.074 0.364 1.00 0.00 H new ATOM 0 HD12 LEU A 418 -7.136 5.401 1.244 1.00 0.00 H new ATOM 0 HD13 LEU A 418 -7.847 4.503 -0.118 1.00 0.00 H new ATOM 0 HD21 LEU A 418 -10.760 5.100 0.601 1.00 0.00 H new ATOM 0 HD22 LEU A 418 -10.183 3.476 0.158 1.00 0.00 H new ATOM 0 HD23 LEU A 418 -11.051 3.724 1.692 1.00 0.00 H new ATOM 598 N GLN A 419 -8.086 3.873 5.282 1.00 0.00 N ATOM 599 CA GLN A 419 -8.393 4.714 6.444 1.00 0.00 C ATOM 600 C GLN A 419 -7.142 5.105 7.248 1.00 0.00 C ATOM 601 O GLN A 419 -7.116 6.184 7.843 1.00 0.00 O ATOM 602 CB GLN A 419 -9.417 4.001 7.341 1.00 0.00 C ATOM 603 CG GLN A 419 -10.840 3.996 6.751 1.00 0.00 C ATOM 604 CD GLN A 419 -11.551 5.355 6.762 1.00 0.00 C ATOM 605 OE1 GLN A 419 -11.069 6.361 7.271 1.00 0.00 O ATOM 606 NE2 GLN A 419 -12.735 5.444 6.188 1.00 0.00 N ATOM 0 H GLN A 419 -8.492 2.939 5.335 1.00 0.00 H new ATOM 0 HA GLN A 419 -8.817 5.646 6.070 1.00 0.00 H new ATOM 0 HB2 GLN A 419 -9.094 2.973 7.504 1.00 0.00 H new ATOM 0 HB3 GLN A 419 -9.437 4.487 8.316 1.00 0.00 H new ATOM 0 HG2 GLN A 419 -10.790 3.638 5.723 1.00 0.00 H new ATOM 0 HG3 GLN A 419 -11.446 3.281 7.308 1.00 0.00 H new ATOM 0 HE21 GLN A 419 -13.156 4.621 5.758 1.00 0.00 H new ATOM 0 HE22 GLN A 419 -13.229 6.336 6.174 1.00 0.00 H new ATOM 615 N MET A 420 -6.087 4.280 7.231 1.00 0.00 N ATOM 616 CA MET A 420 -4.816 4.580 7.900 1.00 0.00 C ATOM 617 C MET A 420 -3.893 5.511 7.085 1.00 0.00 C ATOM 618 O MET A 420 -3.032 6.164 7.674 1.00 0.00 O ATOM 619 CB MET A 420 -4.137 3.255 8.290 1.00 0.00 C ATOM 620 CG MET A 420 -2.950 3.484 9.230 1.00 0.00 C ATOM 621 SD MET A 420 -2.402 2.027 10.160 1.00 0.00 S ATOM 622 CE MET A 420 -1.575 1.088 8.854 1.00 0.00 C ATOM 0 H MET A 420 -6.092 3.381 6.750 1.00 0.00 H new ATOM 0 HA MET A 420 -5.030 5.152 8.803 1.00 0.00 H new ATOM 0 HB2 MET A 420 -4.864 2.602 8.773 1.00 0.00 H new ATOM 0 HB3 MET A 420 -3.796 2.742 7.391 1.00 0.00 H new ATOM 0 HG2 MET A 420 -2.110 3.856 8.643 1.00 0.00 H new ATOM 0 HG3 MET A 420 -3.216 4.268 9.939 1.00 0.00 H new ATOM 0 HE1 MET A 420 -1.370 0.077 9.207 1.00 0.00 H new ATOM 0 HE2 MET A 420 -2.218 1.042 7.975 1.00 0.00 H new ATOM 0 HE3 MET A 420 -0.637 1.578 8.592 1.00 0.00 H new ATOM 632 N PHE A 421 -4.087 5.621 5.762 1.00 0.00 N ATOM 633 CA PHE A 421 -3.230 6.399 4.850 1.00 0.00 C ATOM 634 C PHE A 421 -3.876 7.682 4.283 1.00 0.00 C ATOM 635 O PHE A 421 -3.153 8.611 3.920 1.00 0.00 O ATOM 636 CB PHE A 421 -2.675 5.474 3.750 1.00 0.00 C ATOM 637 CG PHE A 421 -1.443 4.676 4.161 1.00 0.00 C ATOM 638 CD1 PHE A 421 -1.529 3.653 5.127 1.00 0.00 C ATOM 639 CD2 PHE A 421 -0.188 4.970 3.587 1.00 0.00 C ATOM 640 CE1 PHE A 421 -0.377 2.952 5.528 1.00 0.00 C ATOM 641 CE2 PHE A 421 0.964 4.270 3.987 1.00 0.00 C ATOM 642 CZ PHE A 421 0.872 3.267 4.965 1.00 0.00 C ATOM 0 H PHE A 421 -4.862 5.161 5.284 1.00 0.00 H new ATOM 0 HA PHE A 421 -2.403 6.784 5.447 1.00 0.00 H new ATOM 0 HB2 PHE A 421 -3.458 4.779 3.447 1.00 0.00 H new ATOM 0 HB3 PHE A 421 -2.428 6.077 2.876 1.00 0.00 H new ATOM 0 HD1 PHE A 421 -2.486 3.406 5.562 1.00 0.00 H new ATOM 0 HD2 PHE A 421 -0.112 5.740 2.833 1.00 0.00 H new ATOM 0 HE1 PHE A 421 -0.452 2.171 6.270 1.00 0.00 H new ATOM 0 HE2 PHE A 421 1.920 4.504 3.542 1.00 0.00 H new ATOM 0 HZ PHE A 421 1.758 2.739 5.284 1.00 0.00 H new ATOM 652 N MET A 422 -5.208 7.822 4.290 1.00 0.00 N ATOM 653 CA MET A 422 -5.891 9.086 3.974 1.00 0.00 C ATOM 654 C MET A 422 -5.459 10.318 4.808 1.00 0.00 C ATOM 655 O MET A 422 -5.463 11.414 4.239 1.00 0.00 O ATOM 656 CB MET A 422 -7.407 8.879 4.078 1.00 0.00 C ATOM 657 CG MET A 422 -7.973 8.204 2.824 1.00 0.00 C ATOM 658 SD MET A 422 -9.775 8.284 2.631 1.00 0.00 S ATOM 659 CE MET A 422 -10.312 7.442 4.140 1.00 0.00 C ATOM 0 H MET A 422 -5.846 7.059 4.516 1.00 0.00 H new ATOM 0 HA MET A 422 -5.587 9.333 2.957 1.00 0.00 H new ATOM 0 HB2 MET A 422 -7.632 8.269 4.953 1.00 0.00 H new ATOM 0 HB3 MET A 422 -7.897 9.842 4.226 1.00 0.00 H new ATOM 0 HG2 MET A 422 -7.512 8.661 1.949 1.00 0.00 H new ATOM 0 HG3 MET A 422 -7.673 7.156 2.831 1.00 0.00 H new ATOM 0 HE1 MET A 422 -11.394 7.314 4.120 1.00 0.00 H new ATOM 0 HE2 MET A 422 -9.832 6.465 4.202 1.00 0.00 H new ATOM 0 HE3 MET A 422 -10.033 8.039 5.008 1.00 0.00 H new ATOM 669 N PRO A 423 -5.051 10.199 6.092 1.00 0.00 N ATOM 670 CA PRO A 423 -4.537 11.319 6.888 1.00 0.00 C ATOM 671 C PRO A 423 -3.317 12.060 6.313 1.00 0.00 C ATOM 672 O PRO A 423 -3.053 13.185 6.742 1.00 0.00 O ATOM 673 CB PRO A 423 -4.210 10.726 8.263 1.00 0.00 C ATOM 674 CG PRO A 423 -5.224 9.594 8.395 1.00 0.00 C ATOM 675 CD PRO A 423 -5.298 9.061 6.969 1.00 0.00 C ATOM 0 HA PRO A 423 -5.300 12.097 6.910 1.00 0.00 H new ATOM 0 HB2 PRO A 423 -3.185 10.358 8.311 1.00 0.00 H new ATOM 0 HB3 PRO A 423 -4.322 11.463 9.058 1.00 0.00 H new ATOM 0 HG2 PRO A 423 -4.892 8.830 9.099 1.00 0.00 H new ATOM 0 HG3 PRO A 423 -6.191 9.953 8.746 1.00 0.00 H new ATOM 0 HD2 PRO A 423 -4.557 8.278 6.808 1.00 0.00 H new ATOM 0 HD3 PRO A 423 -6.275 8.621 6.769 1.00 0.00 H new ATOM 683 N PHE A 424 -2.588 11.479 5.347 1.00 0.00 N ATOM 684 CA PHE A 424 -1.394 12.089 4.736 1.00 0.00 C ATOM 685 C PHE A 424 -1.678 12.796 3.399 1.00 0.00 C ATOM 686 O PHE A 424 -0.819 13.519 2.887 1.00 0.00 O ATOM 687 CB PHE A 424 -0.306 11.018 4.587 1.00 0.00 C ATOM 688 CG PHE A 424 -0.113 10.191 5.842 1.00 0.00 C ATOM 689 CD1 PHE A 424 0.300 10.807 7.039 1.00 0.00 C ATOM 690 CD2 PHE A 424 -0.445 8.826 5.837 1.00 0.00 C ATOM 691 CE1 PHE A 424 0.363 10.061 8.229 1.00 0.00 C ATOM 692 CE2 PHE A 424 -0.365 8.076 7.022 1.00 0.00 C ATOM 693 CZ PHE A 424 0.024 8.697 8.221 1.00 0.00 C ATOM 0 H PHE A 424 -2.813 10.561 4.963 1.00 0.00 H new ATOM 0 HA PHE A 424 -1.048 12.879 5.403 1.00 0.00 H new ATOM 0 HB2 PHE A 424 -0.565 10.357 3.760 1.00 0.00 H new ATOM 0 HB3 PHE A 424 0.637 11.499 4.327 1.00 0.00 H new ATOM 0 HD1 PHE A 424 0.569 11.853 7.043 1.00 0.00 H new ATOM 0 HD2 PHE A 424 -0.762 8.352 4.920 1.00 0.00 H new ATOM 0 HE1 PHE A 424 0.672 10.536 9.149 1.00 0.00 H new ATOM 0 HE2 PHE A 424 -0.602 7.022 7.012 1.00 0.00 H new ATOM 0 HZ PHE A 424 0.063 8.126 9.137 1.00 0.00 H new ATOM 703 N GLY A 425 -2.892 12.629 2.861 1.00 0.00 N ATOM 704 CA GLY A 425 -3.410 13.366 1.702 1.00 0.00 C ATOM 705 C GLY A 425 -4.325 12.554 0.787 1.00 0.00 C ATOM 706 O GLY A 425 -4.864 11.514 1.166 1.00 0.00 O ATOM 0 H GLY A 425 -3.562 11.956 3.232 1.00 0.00 H new ATOM 0 HA2 GLY A 425 -3.957 14.239 2.058 1.00 0.00 H new ATOM 0 HA3 GLY A 425 -2.568 13.735 1.117 1.00 0.00 H new ATOM 710 N ASN A 426 -4.523 13.058 -0.431 1.00 0.00 N ATOM 711 CA ASN A 426 -5.465 12.511 -1.411 1.00 0.00 C ATOM 712 C ASN A 426 -4.979 11.160 -1.984 1.00 0.00 C ATOM 713 O ASN A 426 -4.195 11.123 -2.935 1.00 0.00 O ATOM 714 CB ASN A 426 -5.702 13.579 -2.494 1.00 0.00 C ATOM 715 CG ASN A 426 -6.738 13.186 -3.547 1.00 0.00 C ATOM 716 OD1 ASN A 426 -7.420 12.172 -3.452 1.00 0.00 O ATOM 717 ND2 ASN A 426 -6.887 13.997 -4.577 1.00 0.00 N ATOM 0 H ASN A 426 -4.021 13.878 -0.773 1.00 0.00 H new ATOM 0 HA ASN A 426 -6.416 12.282 -0.931 1.00 0.00 H new ATOM 0 HB2 ASN A 426 -6.022 14.503 -2.013 1.00 0.00 H new ATOM 0 HB3 ASN A 426 -4.756 13.791 -2.993 1.00 0.00 H new ATOM 0 HD21 ASN A 426 -7.573 13.782 -5.300 1.00 0.00 H new ATOM 0 HD22 ASN A 426 -6.316 14.839 -4.650 1.00 0.00 H new ATOM 724 N VAL A 427 -5.448 10.055 -1.395 1.00 0.00 N ATOM 725 CA VAL A 427 -5.175 8.677 -1.842 1.00 0.00 C ATOM 726 C VAL A 427 -5.970 8.380 -3.123 1.00 0.00 C ATOM 727 O VAL A 427 -7.178 8.599 -3.176 1.00 0.00 O ATOM 728 CB VAL A 427 -5.506 7.637 -0.740 1.00 0.00 C ATOM 729 CG1 VAL A 427 -5.350 6.192 -1.238 1.00 0.00 C ATOM 730 CG2 VAL A 427 -4.598 7.805 0.490 1.00 0.00 C ATOM 0 H VAL A 427 -6.046 10.091 -0.569 1.00 0.00 H new ATOM 0 HA VAL A 427 -4.109 8.594 -2.052 1.00 0.00 H new ATOM 0 HB VAL A 427 -6.546 7.822 -0.470 1.00 0.00 H new ATOM 0 HG11 VAL A 427 -5.593 5.501 -0.431 1.00 0.00 H new ATOM 0 HG12 VAL A 427 -6.025 6.021 -2.077 1.00 0.00 H new ATOM 0 HG13 VAL A 427 -4.322 6.027 -1.560 1.00 0.00 H new ATOM 0 HG21 VAL A 427 -4.860 7.059 1.240 1.00 0.00 H new ATOM 0 HG22 VAL A 427 -3.557 7.673 0.195 1.00 0.00 H new ATOM 0 HG23 VAL A 427 -4.733 8.803 0.908 1.00 0.00 H new ATOM 740 N VAL A 428 -5.274 7.864 -4.136 1.00 0.00 N ATOM 741 CA VAL A 428 -5.788 7.471 -5.461 1.00 0.00 C ATOM 742 C VAL A 428 -6.140 5.975 -5.508 1.00 0.00 C ATOM 743 O VAL A 428 -7.115 5.595 -6.154 1.00 0.00 O ATOM 744 CB VAL A 428 -4.754 7.841 -6.556 1.00 0.00 C ATOM 745 CG1 VAL A 428 -5.007 7.175 -7.917 1.00 0.00 C ATOM 746 CG2 VAL A 428 -4.750 9.365 -6.760 1.00 0.00 C ATOM 0 H VAL A 428 -4.271 7.696 -4.054 1.00 0.00 H new ATOM 0 HA VAL A 428 -6.710 8.020 -5.651 1.00 0.00 H new ATOM 0 HB VAL A 428 -3.794 7.472 -6.194 1.00 0.00 H new ATOM 0 HG11 VAL A 428 -4.238 7.488 -8.624 1.00 0.00 H new ATOM 0 HG12 VAL A 428 -4.976 6.091 -7.803 1.00 0.00 H new ATOM 0 HG13 VAL A 428 -5.987 7.472 -8.291 1.00 0.00 H new ATOM 0 HG21 VAL A 428 -4.024 9.627 -7.529 1.00 0.00 H new ATOM 0 HG22 VAL A 428 -5.742 9.693 -7.070 1.00 0.00 H new ATOM 0 HG23 VAL A 428 -4.481 9.857 -5.825 1.00 0.00 H new ATOM 756 N SER A 429 -5.397 5.129 -4.790 1.00 0.00 N ATOM 757 CA SER A 429 -5.630 3.682 -4.709 1.00 0.00 C ATOM 758 C SER A 429 -5.057 3.109 -3.406 1.00 0.00 C ATOM 759 O SER A 429 -4.068 3.631 -2.889 1.00 0.00 O ATOM 760 CB SER A 429 -5.003 2.975 -5.916 1.00 0.00 C ATOM 761 OG SER A 429 -5.720 1.793 -6.224 1.00 0.00 O ATOM 0 H SER A 429 -4.598 5.437 -4.236 1.00 0.00 H new ATOM 0 HA SER A 429 -6.706 3.509 -4.717 1.00 0.00 H new ATOM 0 HB2 SER A 429 -5.004 3.643 -6.777 1.00 0.00 H new ATOM 0 HB3 SER A 429 -3.962 2.731 -5.702 1.00 0.00 H new ATOM 0 HG SER A 429 -5.311 1.032 -5.760 1.00 0.00 H new ATOM 767 N ALA A 430 -5.659 2.033 -2.885 1.00 0.00 N ATOM 768 CA ALA A 430 -5.235 1.335 -1.671 1.00 0.00 C ATOM 769 C ALA A 430 -5.617 -0.151 -1.761 1.00 0.00 C ATOM 770 O ALA A 430 -6.746 -0.492 -2.111 1.00 0.00 O ATOM 771 CB ALA A 430 -5.870 2.016 -0.450 1.00 0.00 C ATOM 0 H ALA A 430 -6.483 1.612 -3.314 1.00 0.00 H new ATOM 0 HA ALA A 430 -4.151 1.388 -1.565 1.00 0.00 H new ATOM 0 HB1 ALA A 430 -5.558 1.500 0.458 1.00 0.00 H new ATOM 0 HB2 ALA A 430 -5.548 3.056 -0.405 1.00 0.00 H new ATOM 0 HB3 ALA A 430 -6.956 1.976 -0.535 1.00 0.00 H new ATOM 777 N LYS A 431 -4.684 -1.050 -1.450 1.00 0.00 N ATOM 778 CA LYS A 431 -4.830 -2.485 -1.713 1.00 0.00 C ATOM 779 C LYS A 431 -4.037 -3.331 -0.705 1.00 0.00 C ATOM 780 O LYS A 431 -2.892 -3.005 -0.404 1.00 0.00 O ATOM 781 CB LYS A 431 -4.321 -2.731 -3.152 1.00 0.00 C ATOM 782 CG LYS A 431 -4.568 -4.131 -3.741 1.00 0.00 C ATOM 783 CD LYS A 431 -6.043 -4.366 -4.094 1.00 0.00 C ATOM 784 CE LYS A 431 -6.218 -5.686 -4.855 1.00 0.00 C ATOM 785 NZ LYS A 431 -7.643 -5.934 -5.202 1.00 0.00 N ATOM 0 H LYS A 431 -3.799 -0.804 -1.006 1.00 0.00 H new ATOM 0 HA LYS A 431 -5.873 -2.782 -1.608 1.00 0.00 H new ATOM 0 HB2 LYS A 431 -4.789 -1.998 -3.809 1.00 0.00 H new ATOM 0 HB3 LYS A 431 -3.248 -2.538 -3.172 1.00 0.00 H new ATOM 0 HG2 LYS A 431 -3.959 -4.258 -4.636 1.00 0.00 H new ATOM 0 HG3 LYS A 431 -4.244 -4.886 -3.024 1.00 0.00 H new ATOM 0 HD2 LYS A 431 -6.641 -4.384 -3.183 1.00 0.00 H new ATOM 0 HD3 LYS A 431 -6.412 -3.539 -4.701 1.00 0.00 H new ATOM 0 HE2 LYS A 431 -5.620 -5.663 -5.766 1.00 0.00 H new ATOM 0 HE3 LYS A 431 -5.842 -6.509 -4.247 1.00 0.00 H new ATOM 0 HZ1 LYS A 431 -7.694 -6.542 -6.044 1.00 0.00 H new ATOM 0 HZ2 LYS A 431 -8.117 -6.405 -4.405 1.00 0.00 H new ATOM 0 HZ3 LYS A 431 -8.115 -5.028 -5.399 1.00 0.00 H new ATOM 799 N VAL A 432 -4.604 -4.436 -0.226 1.00 0.00 N ATOM 800 CA VAL A 432 -3.922 -5.474 0.565 1.00 0.00 C ATOM 801 C VAL A 432 -4.019 -6.785 -0.217 1.00 0.00 C ATOM 802 O VAL A 432 -5.107 -7.183 -0.635 1.00 0.00 O ATOM 803 CB VAL A 432 -4.532 -5.629 1.976 1.00 0.00 C ATOM 804 CG1 VAL A 432 -3.836 -6.761 2.755 1.00 0.00 C ATOM 805 CG2 VAL A 432 -4.399 -4.335 2.795 1.00 0.00 C ATOM 0 H VAL A 432 -5.590 -4.647 -0.381 1.00 0.00 H new ATOM 0 HA VAL A 432 -2.881 -5.189 0.718 1.00 0.00 H new ATOM 0 HB VAL A 432 -5.587 -5.863 1.834 1.00 0.00 H new ATOM 0 HG11 VAL A 432 -4.283 -6.850 3.745 1.00 0.00 H new ATOM 0 HG12 VAL A 432 -3.957 -7.701 2.216 1.00 0.00 H new ATOM 0 HG13 VAL A 432 -2.775 -6.534 2.856 1.00 0.00 H new ATOM 0 HG21 VAL A 432 -4.839 -4.482 3.781 1.00 0.00 H new ATOM 0 HG22 VAL A 432 -3.345 -4.079 2.902 1.00 0.00 H new ATOM 0 HG23 VAL A 432 -4.919 -3.525 2.283 1.00 0.00 H new ATOM 815 N PHE A 433 -2.875 -7.433 -0.445 1.00 0.00 N ATOM 816 CA PHE A 433 -2.783 -8.636 -1.272 1.00 0.00 C ATOM 817 C PHE A 433 -3.195 -9.889 -0.483 1.00 0.00 C ATOM 818 O PHE A 433 -2.945 -9.993 0.719 1.00 0.00 O ATOM 819 CB PHE A 433 -1.373 -8.719 -1.874 1.00 0.00 C ATOM 820 CG PHE A 433 -1.043 -7.527 -2.761 1.00 0.00 C ATOM 821 CD1 PHE A 433 -1.646 -7.398 -4.027 1.00 0.00 C ATOM 822 CD2 PHE A 433 -0.176 -6.517 -2.303 1.00 0.00 C ATOM 823 CE1 PHE A 433 -1.383 -6.271 -4.826 1.00 0.00 C ATOM 824 CE2 PHE A 433 0.097 -5.395 -3.104 1.00 0.00 C ATOM 825 CZ PHE A 433 -0.511 -5.268 -4.366 1.00 0.00 C ATOM 0 H PHE A 433 -1.980 -7.135 -0.058 1.00 0.00 H new ATOM 0 HA PHE A 433 -3.491 -8.580 -2.099 1.00 0.00 H new ATOM 0 HB2 PHE A 433 -0.641 -8.781 -1.068 1.00 0.00 H new ATOM 0 HB3 PHE A 433 -1.284 -9.636 -2.457 1.00 0.00 H new ATOM 0 HD1 PHE A 433 -2.313 -8.168 -4.386 1.00 0.00 H new ATOM 0 HD2 PHE A 433 0.283 -6.605 -1.329 1.00 0.00 H new ATOM 0 HE1 PHE A 433 -1.851 -6.176 -5.794 1.00 0.00 H new ATOM 0 HE2 PHE A 433 0.773 -4.631 -2.751 1.00 0.00 H new ATOM 0 HZ PHE A 433 -0.309 -4.403 -4.980 1.00 0.00 H new ATOM 963 N LYS A 442 -1.724 -11.245 3.018 1.00 0.00 N ATOM 964 CA LYS A 442 -0.293 -11.601 3.014 1.00 0.00 C ATOM 965 C LYS A 442 0.583 -10.745 3.963 1.00 0.00 C ATOM 966 O LYS A 442 1.808 -10.883 3.963 1.00 0.00 O ATOM 967 CB LYS A 442 0.232 -11.519 1.567 1.00 0.00 C ATOM 968 CG LYS A 442 -0.406 -12.536 0.609 1.00 0.00 C ATOM 969 CD LYS A 442 0.256 -12.441 -0.772 1.00 0.00 C ATOM 970 CE LYS A 442 -0.336 -13.481 -1.729 1.00 0.00 C ATOM 971 NZ LYS A 442 0.308 -13.435 -3.067 1.00 0.00 N ATOM 0 HA LYS A 442 -0.216 -12.617 3.402 1.00 0.00 H new ATOM 0 HB2 LYS A 442 0.054 -10.514 1.184 1.00 0.00 H new ATOM 0 HB3 LYS A 442 1.311 -11.671 1.574 1.00 0.00 H new ATOM 0 HG2 LYS A 442 -0.293 -13.544 1.007 1.00 0.00 H new ATOM 0 HG3 LYS A 442 -1.476 -12.346 0.523 1.00 0.00 H new ATOM 0 HD2 LYS A 442 0.114 -11.441 -1.181 1.00 0.00 H new ATOM 0 HD3 LYS A 442 1.331 -12.597 -0.677 1.00 0.00 H new ATOM 0 HE2 LYS A 442 -0.215 -14.477 -1.302 1.00 0.00 H new ATOM 0 HE3 LYS A 442 -1.407 -13.308 -1.836 1.00 0.00 H new ATOM 0 HZ1 LYS A 442 -0.121 -14.154 -3.684 1.00 0.00 H new ATOM 0 HZ2 LYS A 442 0.171 -12.493 -3.486 1.00 0.00 H new ATOM 0 HZ3 LYS A 442 1.326 -13.626 -2.969 1.00 0.00 H new ATOM 985 N CYS A 443 -0.028 -9.822 4.718 1.00 0.00 N ATOM 986 CA CYS A 443 0.618 -8.798 5.562 1.00 0.00 C ATOM 987 C CYS A 443 1.418 -7.751 4.753 1.00 0.00 C ATOM 988 O CYS A 443 2.300 -7.090 5.303 1.00 0.00 O ATOM 989 CB CYS A 443 1.447 -9.445 6.687 1.00 0.00 C ATOM 990 SG CYS A 443 0.388 -10.492 7.731 1.00 0.00 S ATOM 0 H CYS A 443 -1.045 -9.764 4.761 1.00 0.00 H new ATOM 0 HA CYS A 443 -0.184 -8.231 6.035 1.00 0.00 H new ATOM 0 HB2 CYS A 443 2.251 -10.043 6.258 1.00 0.00 H new ATOM 0 HB3 CYS A 443 1.915 -8.670 7.294 1.00 0.00 H new ATOM 0 HG CYS A 443 -0.031 -9.804 8.751 1.00 0.00 H new ATOM 996 N PHE A 444 1.100 -7.562 3.469 1.00 0.00 N ATOM 997 CA PHE A 444 1.651 -6.489 2.638 1.00 0.00 C ATOM 998 C PHE A 444 0.626 -5.981 1.615 1.00 0.00 C ATOM 999 O PHE A 444 -0.331 -6.674 1.259 1.00 0.00 O ATOM 1000 CB PHE A 444 2.995 -6.906 2.010 1.00 0.00 C ATOM 1001 CG PHE A 444 2.936 -7.918 0.882 1.00 0.00 C ATOM 1002 CD1 PHE A 444 2.734 -7.483 -0.442 1.00 0.00 C ATOM 1003 CD2 PHE A 444 3.149 -9.285 1.139 1.00 0.00 C ATOM 1004 CE1 PHE A 444 2.717 -8.411 -1.499 1.00 0.00 C ATOM 1005 CE2 PHE A 444 3.150 -10.211 0.080 1.00 0.00 C ATOM 1006 CZ PHE A 444 2.925 -9.776 -1.238 1.00 0.00 C ATOM 0 H PHE A 444 0.442 -8.160 2.970 1.00 0.00 H new ATOM 0 HA PHE A 444 1.869 -5.636 3.281 1.00 0.00 H new ATOM 0 HB2 PHE A 444 3.489 -6.009 1.636 1.00 0.00 H new ATOM 0 HB3 PHE A 444 3.627 -7.313 2.799 1.00 0.00 H new ATOM 0 HD1 PHE A 444 2.591 -6.432 -0.647 1.00 0.00 H new ATOM 0 HD2 PHE A 444 3.312 -9.624 2.151 1.00 0.00 H new ATOM 0 HE1 PHE A 444 2.544 -8.075 -2.511 1.00 0.00 H new ATOM 0 HE2 PHE A 444 3.324 -11.258 0.280 1.00 0.00 H new ATOM 0 HZ PHE A 444 2.912 -10.490 -2.048 1.00 0.00 H new ATOM 1016 N GLY A 445 0.822 -4.734 1.187 1.00 0.00 N ATOM 1017 CA GLY A 445 -0.115 -3.949 0.389 1.00 0.00 C ATOM 1018 C GLY A 445 0.545 -2.839 -0.427 1.00 0.00 C ATOM 1019 O GLY A 445 1.769 -2.717 -0.483 1.00 0.00 O ATOM 0 H GLY A 445 1.678 -4.222 1.398 1.00 0.00 H new ATOM 0 HA2 GLY A 445 -0.648 -4.616 -0.288 1.00 0.00 H new ATOM 0 HA3 GLY A 445 -0.859 -3.506 1.051 1.00 0.00 H new ATOM 1023 N PHE A 446 -0.295 -2.021 -1.057 1.00 0.00 N ATOM 1024 CA PHE A 446 0.072 -0.911 -1.931 1.00 0.00 C ATOM 1025 C PHE A 446 -0.850 0.291 -1.679 1.00 0.00 C ATOM 1026 O PHE A 446 -2.033 0.110 -1.391 1.00 0.00 O ATOM 1027 CB PHE A 446 -0.010 -1.389 -3.391 1.00 0.00 C ATOM 1028 CG PHE A 446 0.251 -0.303 -4.419 1.00 0.00 C ATOM 1029 CD1 PHE A 446 1.571 0.002 -4.797 1.00 0.00 C ATOM 1030 CD2 PHE A 446 -0.820 0.422 -4.979 1.00 0.00 C ATOM 1031 CE1 PHE A 446 1.827 1.026 -5.725 1.00 0.00 C ATOM 1032 CE2 PHE A 446 -0.564 1.449 -5.904 1.00 0.00 C ATOM 1033 CZ PHE A 446 0.757 1.753 -6.275 1.00 0.00 C ATOM 0 H PHE A 446 -1.306 -2.121 -0.966 1.00 0.00 H new ATOM 0 HA PHE A 446 1.091 -0.586 -1.721 1.00 0.00 H new ATOM 0 HB2 PHE A 446 0.710 -2.194 -3.539 1.00 0.00 H new ATOM 0 HB3 PHE A 446 -0.999 -1.811 -3.568 1.00 0.00 H new ATOM 0 HD1 PHE A 446 2.393 -0.554 -4.371 1.00 0.00 H new ATOM 0 HD2 PHE A 446 -1.836 0.189 -4.698 1.00 0.00 H new ATOM 0 HE1 PHE A 446 2.842 1.254 -6.015 1.00 0.00 H new ATOM 0 HE2 PHE A 446 -1.385 2.006 -6.331 1.00 0.00 H new ATOM 0 HZ PHE A 446 0.950 2.545 -6.983 1.00 0.00 H new ATOM 1043 N VAL A 447 -0.320 1.508 -1.808 1.00 0.00 N ATOM 1044 CA VAL A 447 -1.068 2.775 -1.701 1.00 0.00 C ATOM 1045 C VAL A 447 -0.496 3.778 -2.706 1.00 0.00 C ATOM 1046 O VAL A 447 0.717 3.882 -2.847 1.00 0.00 O ATOM 1047 CB VAL A 447 -1.022 3.379 -0.272 1.00 0.00 C ATOM 1048 CG1 VAL A 447 -1.819 4.693 -0.165 1.00 0.00 C ATOM 1049 CG2 VAL A 447 -1.581 2.423 0.796 1.00 0.00 C ATOM 0 H VAL A 447 0.672 1.651 -1.996 1.00 0.00 H new ATOM 0 HA VAL A 447 -2.114 2.562 -1.921 1.00 0.00 H new ATOM 0 HB VAL A 447 0.037 3.562 -0.089 1.00 0.00 H new ATOM 0 HG11 VAL A 447 -1.756 5.075 0.854 1.00 0.00 H new ATOM 0 HG12 VAL A 447 -1.403 5.428 -0.855 1.00 0.00 H new ATOM 0 HG13 VAL A 447 -2.863 4.507 -0.418 1.00 0.00 H new ATOM 0 HG21 VAL A 447 -1.524 2.898 1.775 1.00 0.00 H new ATOM 0 HG22 VAL A 447 -2.621 2.189 0.567 1.00 0.00 H new ATOM 0 HG23 VAL A 447 -0.995 1.504 0.804 1.00 0.00 H new ATOM 1059 N SER A 448 -1.347 4.539 -3.388 1.00 0.00 N ATOM 1060 CA SER A 448 -0.934 5.605 -4.315 1.00 0.00 C ATOM 1061 C SER A 448 -1.672 6.923 -4.054 1.00 0.00 C ATOM 1062 O SER A 448 -2.798 6.927 -3.559 1.00 0.00 O ATOM 1063 CB SER A 448 -1.130 5.161 -5.769 1.00 0.00 C ATOM 1064 OG SER A 448 -2.489 4.873 -6.064 1.00 0.00 O ATOM 0 H SER A 448 -2.359 4.436 -3.316 1.00 0.00 H new ATOM 0 HA SER A 448 0.126 5.789 -4.138 1.00 0.00 H new ATOM 0 HB2 SER A 448 -0.773 5.945 -6.437 1.00 0.00 H new ATOM 0 HB3 SER A 448 -0.523 4.277 -5.962 1.00 0.00 H new ATOM 0 HG SER A 448 -2.534 4.163 -6.738 1.00 0.00 H new ATOM 1070 N TYR A 449 -1.048 8.055 -4.394 1.00 0.00 N ATOM 1071 CA TYR A 449 -1.550 9.408 -4.118 1.00 0.00 C ATOM 1072 C TYR A 449 -1.643 10.293 -5.368 1.00 0.00 C ATOM 1073 O TYR A 449 -0.990 10.053 -6.382 1.00 0.00 O ATOM 1074 CB TYR A 449 -0.640 10.099 -3.091 1.00 0.00 C ATOM 1075 CG TYR A 449 -0.740 9.558 -1.683 1.00 0.00 C ATOM 1076 CD1 TYR A 449 -0.012 8.410 -1.311 1.00 0.00 C ATOM 1077 CD2 TYR A 449 -1.575 10.200 -0.747 1.00 0.00 C ATOM 1078 CE1 TYR A 449 -0.103 7.921 0.004 1.00 0.00 C ATOM 1079 CE2 TYR A 449 -1.676 9.708 0.566 1.00 0.00 C ATOM 1080 CZ TYR A 449 -0.937 8.566 0.940 1.00 0.00 C ATOM 1081 OH TYR A 449 -1.044 8.062 2.194 1.00 0.00 O ATOM 0 H TYR A 449 -0.153 8.057 -4.883 1.00 0.00 H new ATOM 0 HA TYR A 449 -2.562 9.286 -3.731 1.00 0.00 H new ATOM 0 HB2 TYR A 449 0.393 10.010 -3.426 1.00 0.00 H new ATOM 0 HB3 TYR A 449 -0.879 11.162 -3.073 1.00 0.00 H new ATOM 0 HD1 TYR A 449 0.614 7.908 -2.034 1.00 0.00 H new ATOM 0 HD2 TYR A 449 -2.139 11.073 -1.039 1.00 0.00 H new ATOM 0 HE1 TYR A 449 0.466 7.051 0.297 1.00 0.00 H new ATOM 0 HE2 TYR A 449 -2.315 10.201 1.284 1.00 0.00 H new ATOM 0 HH TYR A 449 -1.858 8.407 2.617 1.00 0.00 H new ATOM 1091 N ASP A 450 -2.423 11.370 -5.262 1.00 0.00 N ATOM 1092 CA ASP A 450 -2.567 12.403 -6.295 1.00 0.00 C ATOM 1093 C ASP A 450 -1.284 13.247 -6.485 1.00 0.00 C ATOM 1094 O ASP A 450 -1.109 13.864 -7.535 1.00 0.00 O ATOM 1095 CB ASP A 450 -3.770 13.275 -5.909 1.00 0.00 C ATOM 1096 CG ASP A 450 -4.223 14.232 -7.022 1.00 0.00 C ATOM 1097 OD1 ASP A 450 -4.801 13.750 -8.026 1.00 0.00 O ATOM 1098 OD2 ASP A 450 -4.057 15.464 -6.859 1.00 0.00 O ATOM 0 H ASP A 450 -2.988 11.555 -4.433 1.00 0.00 H new ATOM 0 HA ASP A 450 -2.734 11.927 -7.261 1.00 0.00 H new ATOM 0 HB2 ASP A 450 -4.604 12.628 -5.637 1.00 0.00 H new ATOM 0 HB3 ASP A 450 -3.516 13.857 -5.023 1.00 0.00 H new ATOM 1103 N ASN A 451 -0.370 13.230 -5.501 1.00 0.00 N ATOM 1104 CA ASN A 451 0.909 13.956 -5.508 1.00 0.00 C ATOM 1105 C ASN A 451 2.028 13.172 -4.772 1.00 0.00 C ATOM 1106 O ASN A 451 1.732 12.462 -3.804 1.00 0.00 O ATOM 1107 CB ASN A 451 0.746 15.337 -4.842 1.00 0.00 C ATOM 1108 CG ASN A 451 -0.346 16.201 -5.466 1.00 0.00 C ATOM 1109 OD1 ASN A 451 -0.156 16.816 -6.509 1.00 0.00 O ATOM 1110 ND2 ASN A 451 -1.503 16.289 -4.833 1.00 0.00 N ATOM 0 H ASN A 451 -0.508 12.690 -4.647 1.00 0.00 H new ATOM 0 HA ASN A 451 1.200 14.074 -6.552 1.00 0.00 H new ATOM 0 HB2 ASN A 451 0.523 15.195 -3.785 1.00 0.00 H new ATOM 0 HB3 ASN A 451 1.695 15.871 -4.899 1.00 0.00 H new ATOM 0 HD21 ASN A 451 -2.248 16.873 -5.212 1.00 0.00 H new ATOM 0 HD22 ASN A 451 -1.650 15.773 -3.966 1.00 0.00 H new ATOM 1117 N PRO A 452 3.317 13.345 -5.149 1.00 0.00 N ATOM 1118 CA PRO A 452 4.462 12.711 -4.480 1.00 0.00 C ATOM 1119 C PRO A 452 4.679 13.179 -3.034 1.00 0.00 C ATOM 1120 O PRO A 452 5.204 12.431 -2.214 1.00 0.00 O ATOM 1121 CB PRO A 452 5.700 13.061 -5.319 1.00 0.00 C ATOM 1122 CG PRO A 452 5.150 13.583 -6.641 1.00 0.00 C ATOM 1123 CD PRO A 452 3.782 14.144 -6.274 1.00 0.00 C ATOM 0 HA PRO A 452 4.275 11.639 -4.414 1.00 0.00 H new ATOM 0 HB2 PRO A 452 6.313 13.813 -4.822 1.00 0.00 H new ATOM 0 HB3 PRO A 452 6.332 12.186 -5.473 1.00 0.00 H new ATOM 0 HG2 PRO A 452 5.796 14.351 -7.067 1.00 0.00 H new ATOM 0 HG3 PRO A 452 5.070 12.788 -7.382 1.00 0.00 H new ATOM 0 HD2 PRO A 452 3.851 15.198 -6.004 1.00 0.00 H new ATOM 0 HD3 PRO A 452 3.092 14.075 -7.115 1.00 0.00 H new ATOM 1131 N VAL A 453 4.278 14.410 -2.709 1.00 0.00 N ATOM 1132 CA VAL A 453 4.471 15.015 -1.377 1.00 0.00 C ATOM 1133 C VAL A 453 3.495 14.412 -0.357 1.00 0.00 C ATOM 1134 O VAL A 453 3.891 14.111 0.767 1.00 0.00 O ATOM 1135 CB VAL A 453 4.348 16.558 -1.430 1.00 0.00 C ATOM 1136 CG1 VAL A 453 4.566 17.210 -0.053 1.00 0.00 C ATOM 1137 CG2 VAL A 453 5.365 17.155 -2.423 1.00 0.00 C ATOM 0 H VAL A 453 3.803 15.028 -3.368 1.00 0.00 H new ATOM 0 HA VAL A 453 5.485 14.783 -1.051 1.00 0.00 H new ATOM 0 HB VAL A 453 3.331 16.772 -1.759 1.00 0.00 H new ATOM 0 HG11 VAL A 453 4.470 18.292 -0.143 1.00 0.00 H new ATOM 0 HG12 VAL A 453 3.820 16.836 0.649 1.00 0.00 H new ATOM 0 HG13 VAL A 453 5.563 16.964 0.312 1.00 0.00 H new ATOM 0 HG21 VAL A 453 5.260 18.240 -2.443 1.00 0.00 H new ATOM 0 HG22 VAL A 453 6.376 16.894 -2.109 1.00 0.00 H new ATOM 0 HG23 VAL A 453 5.179 16.754 -3.419 1.00 0.00 H new ATOM 1147 N SER A 454 2.249 14.140 -0.762 1.00 0.00 N ATOM 1148 CA SER A 454 1.264 13.403 0.048 1.00 0.00 C ATOM 1149 C SER A 454 1.711 11.955 0.314 1.00 0.00 C ATOM 1150 O SER A 454 1.453 11.396 1.380 1.00 0.00 O ATOM 1151 CB SER A 454 -0.086 13.375 -0.686 1.00 0.00 C ATOM 1152 OG SER A 454 -0.476 14.657 -1.172 1.00 0.00 O ATOM 0 H SER A 454 1.889 14.428 -1.672 1.00 0.00 H new ATOM 0 HA SER A 454 1.173 13.917 1.005 1.00 0.00 H new ATOM 0 HB2 SER A 454 -0.026 12.677 -1.521 1.00 0.00 H new ATOM 0 HB3 SER A 454 -0.854 12.998 -0.011 1.00 0.00 H new ATOM 0 HG SER A 454 -1.339 14.584 -1.631 1.00 0.00 H new ATOM 1158 N ALA A 455 2.443 11.369 -0.640 1.00 0.00 N ATOM 1159 CA ALA A 455 3.019 10.034 -0.533 1.00 0.00 C ATOM 1160 C ALA A 455 4.228 10.005 0.415 1.00 0.00 C ATOM 1161 O ALA A 455 4.264 9.188 1.334 1.00 0.00 O ATOM 1162 CB ALA A 455 3.355 9.575 -1.954 1.00 0.00 C ATOM 0 H ALA A 455 2.653 11.825 -1.528 1.00 0.00 H new ATOM 0 HA ALA A 455 2.308 9.340 -0.085 1.00 0.00 H new ATOM 0 HB1 ALA A 455 3.790 8.576 -1.920 1.00 0.00 H new ATOM 0 HB2 ALA A 455 2.445 9.554 -2.554 1.00 0.00 H new ATOM 0 HB3 ALA A 455 4.069 10.267 -2.401 1.00 0.00 H new ATOM 1168 N GLN A 456 5.183 10.929 0.267 1.00 0.00 N ATOM 1169 CA GLN A 456 6.315 11.069 1.192 1.00 0.00 C ATOM 1170 C GLN A 456 5.850 11.345 2.626 1.00 0.00 C ATOM 1171 O GLN A 456 6.388 10.752 3.561 1.00 0.00 O ATOM 1172 CB GLN A 456 7.264 12.182 0.709 1.00 0.00 C ATOM 1173 CG GLN A 456 8.274 11.684 -0.339 1.00 0.00 C ATOM 1174 CD GLN A 456 9.351 10.745 0.223 1.00 0.00 C ATOM 1175 OE1 GLN A 456 9.449 10.473 1.416 1.00 0.00 O ATOM 1176 NE2 GLN A 456 10.204 10.200 -0.618 1.00 0.00 N ATOM 0 H GLN A 456 5.194 11.603 -0.499 1.00 0.00 H new ATOM 0 HA GLN A 456 6.853 10.121 1.201 1.00 0.00 H new ATOM 0 HB2 GLN A 456 6.677 12.996 0.284 1.00 0.00 H new ATOM 0 HB3 GLN A 456 7.804 12.590 1.563 1.00 0.00 H new ATOM 0 HG2 GLN A 456 7.733 11.166 -1.131 1.00 0.00 H new ATOM 0 HG3 GLN A 456 8.761 12.545 -0.796 1.00 0.00 H new ATOM 0 HE21 GLN A 456 10.143 10.410 -1.614 1.00 0.00 H new ATOM 0 HE22 GLN A 456 10.926 9.567 -0.274 1.00 0.00 H new ATOM 1185 N ALA A 457 4.805 12.159 2.813 1.00 0.00 N ATOM 1186 CA ALA A 457 4.198 12.401 4.122 1.00 0.00 C ATOM 1187 C ALA A 457 3.678 11.116 4.794 1.00 0.00 C ATOM 1188 O ALA A 457 3.679 11.037 6.024 1.00 0.00 O ATOM 1189 CB ALA A 457 3.081 13.434 3.955 1.00 0.00 C ATOM 0 H ALA A 457 4.355 12.671 2.054 1.00 0.00 H new ATOM 0 HA ALA A 457 4.968 12.784 4.792 1.00 0.00 H new ATOM 0 HB1 ALA A 457 2.616 13.627 4.922 1.00 0.00 H new ATOM 0 HB2 ALA A 457 3.498 14.361 3.561 1.00 0.00 H new ATOM 0 HB3 ALA A 457 2.332 13.051 3.263 1.00 0.00 H new ATOM 1195 N ALA A 458 3.302 10.093 4.016 1.00 0.00 N ATOM 1196 CA ALA A 458 2.966 8.774 4.535 1.00 0.00 C ATOM 1197 C ALA A 458 4.224 7.953 4.836 1.00 0.00 C ATOM 1198 O ALA A 458 4.312 7.387 5.921 1.00 0.00 O ATOM 1199 CB ALA A 458 2.037 8.066 3.548 1.00 0.00 C ATOM 0 H ALA A 458 3.224 10.165 3.002 1.00 0.00 H new ATOM 0 HA ALA A 458 2.442 8.884 5.484 1.00 0.00 H new ATOM 0 HB1 ALA A 458 1.783 7.078 3.932 1.00 0.00 H new ATOM 0 HB2 ALA A 458 1.126 8.652 3.421 1.00 0.00 H new ATOM 0 HB3 ALA A 458 2.539 7.963 2.586 1.00 0.00 H new ATOM 1205 N ILE A 459 5.233 7.929 3.953 1.00 0.00 N ATOM 1206 CA ILE A 459 6.487 7.174 4.196 1.00 0.00 C ATOM 1207 C ILE A 459 7.156 7.642 5.493 1.00 0.00 C ATOM 1208 O ILE A 459 7.479 6.819 6.348 1.00 0.00 O ATOM 1209 CB ILE A 459 7.497 7.267 3.026 1.00 0.00 C ATOM 1210 CG1 ILE A 459 6.861 6.888 1.675 1.00 0.00 C ATOM 1211 CG2 ILE A 459 8.711 6.350 3.302 1.00 0.00 C ATOM 1212 CD1 ILE A 459 7.816 7.085 0.495 1.00 0.00 C ATOM 0 H ILE A 459 5.212 8.422 3.060 1.00 0.00 H new ATOM 0 HA ILE A 459 6.195 6.127 4.283 1.00 0.00 H new ATOM 0 HB ILE A 459 7.820 8.306 2.960 1.00 0.00 H new ATOM 0 HG12 ILE A 459 6.542 5.846 1.708 1.00 0.00 H new ATOM 0 HG13 ILE A 459 5.967 7.491 1.518 1.00 0.00 H new ATOM 0 HG21 ILE A 459 9.417 6.421 2.474 1.00 0.00 H new ATOM 0 HG22 ILE A 459 9.201 6.663 4.224 1.00 0.00 H new ATOM 0 HG23 ILE A 459 8.373 5.319 3.402 1.00 0.00 H new ATOM 0 HD11 ILE A 459 7.314 6.802 -0.430 1.00 0.00 H new ATOM 0 HD12 ILE A 459 8.116 8.132 0.440 1.00 0.00 H new ATOM 0 HD13 ILE A 459 8.699 6.462 0.634 1.00 0.00 H new ATOM 1224 N GLN A 460 7.318 8.955 5.665 1.00 0.00 N ATOM 1225 CA GLN A 460 8.014 9.528 6.820 1.00 0.00 C ATOM 1226 C GLN A 460 7.188 9.459 8.122 1.00 0.00 C ATOM 1227 O GLN A 460 7.736 9.672 9.203 1.00 0.00 O ATOM 1228 CB GLN A 460 8.448 10.975 6.514 1.00 0.00 C ATOM 1229 CG GLN A 460 9.305 11.168 5.244 1.00 0.00 C ATOM 1230 CD GLN A 460 10.484 10.200 5.102 1.00 0.00 C ATOM 1231 OE1 GLN A 460 11.166 9.848 6.058 1.00 0.00 O ATOM 1232 NE2 GLN A 460 10.767 9.723 3.907 1.00 0.00 N ATOM 0 H GLN A 460 6.970 9.652 5.007 1.00 0.00 H new ATOM 0 HA GLN A 460 8.899 8.917 6.994 1.00 0.00 H new ATOM 0 HB2 GLN A 460 7.553 11.590 6.422 1.00 0.00 H new ATOM 0 HB3 GLN A 460 9.009 11.354 7.368 1.00 0.00 H new ATOM 0 HG2 GLN A 460 8.661 11.063 4.371 1.00 0.00 H new ATOM 0 HG3 GLN A 460 9.689 12.188 5.235 1.00 0.00 H new ATOM 0 HE21 GLN A 460 10.210 10.005 3.100 1.00 0.00 H new ATOM 0 HE22 GLN A 460 11.543 9.072 3.789 1.00 0.00 H new ATOM 1241 N SER A 461 5.896 9.123 8.046 1.00 0.00 N ATOM 1242 CA SER A 461 5.025 8.915 9.218 1.00 0.00 C ATOM 1243 C SER A 461 4.777 7.432 9.553 1.00 0.00 C ATOM 1244 O SER A 461 4.550 7.102 10.721 1.00 0.00 O ATOM 1245 CB SER A 461 3.664 9.594 8.996 1.00 0.00 C ATOM 1246 OG SER A 461 3.791 10.995 8.800 1.00 0.00 O ATOM 0 H SER A 461 5.415 8.985 7.157 1.00 0.00 H new ATOM 0 HA SER A 461 5.557 9.358 10.060 1.00 0.00 H new ATOM 0 HB2 SER A 461 3.175 9.150 8.129 1.00 0.00 H new ATOM 0 HB3 SER A 461 3.021 9.406 9.856 1.00 0.00 H new ATOM 0 HG SER A 461 3.772 11.194 7.841 1.00 0.00 H new ATOM 1252 N MET A 462 4.834 6.536 8.558 1.00 0.00 N ATOM 1253 CA MET A 462 4.397 5.135 8.674 1.00 0.00 C ATOM 1254 C MET A 462 5.523 4.103 8.590 1.00 0.00 C ATOM 1255 O MET A 462 5.356 2.987 9.080 1.00 0.00 O ATOM 1256 CB MET A 462 3.333 4.825 7.611 1.00 0.00 C ATOM 1257 CG MET A 462 2.086 5.708 7.757 1.00 0.00 C ATOM 1258 SD MET A 462 1.310 5.706 9.398 1.00 0.00 S ATOM 1259 CE MET A 462 0.667 4.025 9.424 1.00 0.00 C ATOM 0 H MET A 462 5.192 6.768 7.631 1.00 0.00 H new ATOM 0 HA MET A 462 3.983 5.044 9.678 1.00 0.00 H new ATOM 0 HB2 MET A 462 3.762 4.968 6.619 1.00 0.00 H new ATOM 0 HB3 MET A 462 3.043 3.777 7.685 1.00 0.00 H new ATOM 0 HG2 MET A 462 2.357 6.733 7.505 1.00 0.00 H new ATOM 0 HG3 MET A 462 1.346 5.385 7.025 1.00 0.00 H new ATOM 0 HE1 MET A 462 -0.148 3.958 10.145 1.00 0.00 H new ATOM 0 HE2 MET A 462 0.298 3.761 8.433 1.00 0.00 H new ATOM 0 HE3 MET A 462 1.462 3.336 9.710 1.00 0.00 H new ATOM 1269 N ASN A 463 6.681 4.448 8.025 1.00 0.00 N ATOM 1270 CA ASN A 463 7.841 3.562 8.042 1.00 0.00 C ATOM 1271 C ASN A 463 8.408 3.468 9.476 1.00 0.00 C ATOM 1272 O ASN A 463 8.935 4.446 10.011 1.00 0.00 O ATOM 1273 CB ASN A 463 8.867 4.057 7.014 1.00 0.00 C ATOM 1274 CG ASN A 463 9.979 3.040 6.810 1.00 0.00 C ATOM 1275 OD1 ASN A 463 9.726 1.924 6.374 1.00 0.00 O ATOM 1276 ND2 ASN A 463 11.215 3.377 7.126 1.00 0.00 N ATOM 0 H ASN A 463 6.838 5.337 7.550 1.00 0.00 H new ATOM 0 HA ASN A 463 7.560 2.549 7.754 1.00 0.00 H new ATOM 0 HB2 ASN A 463 8.369 4.250 6.064 1.00 0.00 H new ATOM 0 HB3 ASN A 463 9.293 5.003 7.349 1.00 0.00 H new ATOM 0 HD21 ASN A 463 11.973 2.705 7.008 1.00 0.00 H new ATOM 0 HD22 ASN A 463 11.413 4.310 7.488 1.00 0.00 H new ATOM 1283 N GLY A 464 8.251 2.300 10.113 1.00 0.00 N ATOM 1284 CA GLY A 464 8.561 2.050 11.530 1.00 0.00 C ATOM 1285 C GLY A 464 7.368 2.180 12.489 1.00 0.00 C ATOM 1286 O GLY A 464 7.558 2.007 13.692 1.00 0.00 O ATOM 0 H GLY A 464 7.891 1.471 9.639 1.00 0.00 H new ATOM 0 HA2 GLY A 464 8.975 1.046 11.624 1.00 0.00 H new ATOM 0 HA3 GLY A 464 9.338 2.747 11.845 1.00 0.00 H new ATOM 1290 N PHE A 465 6.153 2.464 11.998 1.00 0.00 N ATOM 1291 CA PHE A 465 4.944 2.650 12.817 1.00 0.00 C ATOM 1292 C PHE A 465 4.573 1.376 13.585 1.00 0.00 C ATOM 1293 O PHE A 465 4.425 0.312 12.984 1.00 0.00 O ATOM 1294 CB PHE A 465 3.793 3.096 11.906 1.00 0.00 C ATOM 1295 CG PHE A 465 2.451 3.303 12.584 1.00 0.00 C ATOM 1296 CD1 PHE A 465 2.178 4.528 13.224 1.00 0.00 C ATOM 1297 CD2 PHE A 465 1.459 2.300 12.545 1.00 0.00 C ATOM 1298 CE1 PHE A 465 0.924 4.752 13.819 1.00 0.00 C ATOM 1299 CE2 PHE A 465 0.204 2.529 13.138 1.00 0.00 C ATOM 1300 CZ PHE A 465 -0.065 3.753 13.774 1.00 0.00 C ATOM 0 H PHE A 465 5.979 2.573 10.999 1.00 0.00 H new ATOM 0 HA PHE A 465 5.141 3.418 13.565 1.00 0.00 H new ATOM 0 HB2 PHE A 465 4.080 4.029 11.421 1.00 0.00 H new ATOM 0 HB3 PHE A 465 3.669 2.352 11.119 1.00 0.00 H new ATOM 0 HD1 PHE A 465 2.935 5.298 13.258 1.00 0.00 H new ATOM 0 HD2 PHE A 465 1.663 1.357 12.060 1.00 0.00 H new ATOM 0 HE1 PHE A 465 0.720 5.692 14.311 1.00 0.00 H new ATOM 0 HE2 PHE A 465 -0.555 1.762 13.104 1.00 0.00 H new ATOM 0 HZ PHE A 465 -1.030 3.926 14.228 1.00 0.00 H new ATOM 1310 N GLN A 466 4.423 1.479 14.907 1.00 0.00 N ATOM 1311 CA GLN A 466 4.130 0.341 15.780 1.00 0.00 C ATOM 1312 C GLN A 466 2.634 -0.002 15.715 1.00 0.00 C ATOM 1313 O GLN A 466 1.778 0.855 15.940 1.00 0.00 O ATOM 1314 CB GLN A 466 4.620 0.661 17.205 1.00 0.00 C ATOM 1315 CG GLN A 466 4.883 -0.578 18.081 1.00 0.00 C ATOM 1316 CD GLN A 466 3.621 -1.287 18.585 1.00 0.00 C ATOM 1317 OE1 GLN A 466 2.868 -0.772 19.404 1.00 0.00 O ATOM 1318 NE2 GLN A 466 3.357 -2.500 18.148 1.00 0.00 N ATOM 0 H GLN A 466 4.502 2.365 15.407 1.00 0.00 H new ATOM 0 HA GLN A 466 4.662 -0.549 15.445 1.00 0.00 H new ATOM 0 HB2 GLN A 466 5.538 1.245 17.138 1.00 0.00 H new ATOM 0 HB3 GLN A 466 3.878 1.289 17.699 1.00 0.00 H new ATOM 0 HG2 GLN A 466 5.479 -1.290 17.510 1.00 0.00 H new ATOM 0 HG3 GLN A 466 5.482 -0.278 18.941 1.00 0.00 H new ATOM 0 HE21 GLN A 466 3.974 -2.942 17.467 1.00 0.00 H new ATOM 0 HE22 GLN A 466 2.535 -2.998 18.491 1.00 0.00 H new ATOM 1327 N ILE A 467 2.317 -1.264 15.413 1.00 0.00 N ATOM 1328 CA ILE A 467 0.949 -1.776 15.256 1.00 0.00 C ATOM 1329 C ILE A 467 0.890 -3.246 15.695 1.00 0.00 C ATOM 1330 O ILE A 467 1.792 -4.032 15.388 1.00 0.00 O ATOM 1331 CB ILE A 467 0.466 -1.525 13.804 1.00 0.00 C ATOM 1332 CG1 ILE A 467 -1.071 -1.602 13.718 1.00 0.00 C ATOM 1333 CG2 ILE A 467 1.150 -2.456 12.787 1.00 0.00 C ATOM 1334 CD1 ILE A 467 -1.645 -1.215 12.346 1.00 0.00 C ATOM 0 H ILE A 467 3.027 -1.982 15.266 1.00 0.00 H new ATOM 0 HA ILE A 467 0.255 -1.242 15.905 1.00 0.00 H new ATOM 0 HB ILE A 467 0.765 -0.513 13.532 1.00 0.00 H new ATOM 0 HG12 ILE A 467 -1.387 -2.617 13.958 1.00 0.00 H new ATOM 0 HG13 ILE A 467 -1.499 -0.947 14.477 1.00 0.00 H new ATOM 0 HG21 ILE A 467 0.776 -2.239 11.786 1.00 0.00 H new ATOM 0 HG22 ILE A 467 2.228 -2.296 12.815 1.00 0.00 H new ATOM 0 HG23 ILE A 467 0.931 -3.494 13.039 1.00 0.00 H new ATOM 0 HD11 ILE A 467 -2.732 -1.296 12.370 1.00 0.00 H new ATOM 0 HD12 ILE A 467 -1.363 -0.189 12.110 1.00 0.00 H new ATOM 0 HD13 ILE A 467 -1.248 -1.885 11.583 1.00 0.00 H new ATOM 1392 N ARG A 471 6.188 -3.649 14.027 1.00 0.00 N ATOM 1393 CA ARG A 471 6.356 -2.358 13.334 1.00 0.00 C ATOM 1394 C ARG A 471 6.259 -2.523 11.811 1.00 0.00 C ATOM 1395 O ARG A 471 6.754 -3.505 11.254 1.00 0.00 O ATOM 1396 CB ARG A 471 7.699 -1.707 13.711 1.00 0.00 C ATOM 1397 CG ARG A 471 7.720 -1.185 15.155 1.00 0.00 C ATOM 1398 CD ARG A 471 9.063 -0.526 15.490 1.00 0.00 C ATOM 1399 NE ARG A 471 9.080 -0.026 16.876 1.00 0.00 N ATOM 1400 CZ ARG A 471 8.699 1.174 17.304 1.00 0.00 C ATOM 1401 NH1 ARG A 471 8.215 2.095 16.496 1.00 0.00 N ATOM 1402 NH2 ARG A 471 8.801 1.467 18.582 1.00 0.00 N ATOM 0 HA ARG A 471 5.545 -1.705 13.657 1.00 0.00 H new ATOM 0 HB2 ARG A 471 8.500 -2.435 13.580 1.00 0.00 H new ATOM 0 HB3 ARG A 471 7.903 -0.882 13.028 1.00 0.00 H new ATOM 0 HG2 ARG A 471 6.914 -0.465 15.295 1.00 0.00 H new ATOM 0 HG3 ARG A 471 7.535 -2.009 15.844 1.00 0.00 H new ATOM 0 HD2 ARG A 471 9.869 -1.246 15.350 1.00 0.00 H new ATOM 0 HD3 ARG A 471 9.249 0.298 14.801 1.00 0.00 H new ATOM 0 HE ARG A 471 9.422 -0.673 17.587 1.00 0.00 H new ATOM 0 HH11 ARG A 471 8.120 1.900 15.499 1.00 0.00 H new ATOM 0 HH12 ARG A 471 7.935 3.003 16.867 1.00 0.00 H new ATOM 0 HH21 ARG A 471 9.170 0.776 19.236 1.00 0.00 H new ATOM 0 HH22 ARG A 471 8.511 2.385 18.919 1.00 0.00 H new ATOM 1416 N LEU A 472 5.627 -1.553 11.145 1.00 0.00 N ATOM 1417 CA LEU A 472 5.458 -1.500 9.688 1.00 0.00 C ATOM 1418 C LEU A 472 6.735 -1.063 8.961 1.00 0.00 C ATOM 1419 O LEU A 472 7.621 -0.434 9.538 1.00 0.00 O ATOM 1420 CB LEU A 472 4.318 -0.521 9.333 1.00 0.00 C ATOM 1421 CG LEU A 472 2.923 -0.897 9.858 1.00 0.00 C ATOM 1422 CD1 LEU A 472 1.893 0.122 9.355 1.00 0.00 C ATOM 1423 CD2 LEU A 472 2.513 -2.302 9.405 1.00 0.00 C ATOM 0 H LEU A 472 5.204 -0.756 11.620 1.00 0.00 H new ATOM 0 HA LEU A 472 5.218 -2.511 9.358 1.00 0.00 H new ATOM 0 HB2 LEU A 472 4.577 0.464 9.720 1.00 0.00 H new ATOM 0 HB3 LEU A 472 4.265 -0.433 8.248 1.00 0.00 H new ATOM 0 HG LEU A 472 2.959 -0.888 10.947 1.00 0.00 H new ATOM 0 HD11 LEU A 472 0.904 -0.146 9.728 1.00 0.00 H new ATOM 0 HD12 LEU A 472 2.159 1.116 9.714 1.00 0.00 H new ATOM 0 HD13 LEU A 472 1.882 0.121 8.265 1.00 0.00 H new ATOM 0 HD21 LEU A 472 1.522 -2.535 9.794 1.00 0.00 H new ATOM 0 HD22 LEU A 472 2.494 -2.342 8.316 1.00 0.00 H new ATOM 0 HD23 LEU A 472 3.231 -3.030 9.782 1.00 0.00 H new ATOM 1435 N LYS A 473 6.778 -1.326 7.656 1.00 0.00 N ATOM 1436 CA LYS A 473 7.778 -0.813 6.709 1.00 0.00 C ATOM 1437 C LYS A 473 7.070 -0.243 5.465 1.00 0.00 C ATOM 1438 O LYS A 473 6.072 -0.807 5.020 1.00 0.00 O ATOM 1439 CB LYS A 473 8.745 -1.966 6.384 1.00 0.00 C ATOM 1440 CG LYS A 473 9.817 -1.651 5.328 1.00 0.00 C ATOM 1441 CD LYS A 473 10.690 -2.898 5.108 1.00 0.00 C ATOM 1442 CE LYS A 473 11.714 -2.736 3.976 1.00 0.00 C ATOM 1443 NZ LYS A 473 12.787 -1.759 4.304 1.00 0.00 N ATOM 0 H LYS A 473 6.089 -1.928 7.206 1.00 0.00 H new ATOM 0 HA LYS A 473 8.356 0.009 7.131 1.00 0.00 H new ATOM 0 HB2 LYS A 473 9.244 -2.269 7.304 1.00 0.00 H new ATOM 0 HB3 LYS A 473 8.162 -2.821 6.041 1.00 0.00 H new ATOM 0 HG2 LYS A 473 9.346 -1.352 4.392 1.00 0.00 H new ATOM 0 HG3 LYS A 473 10.433 -0.814 5.656 1.00 0.00 H new ATOM 0 HD2 LYS A 473 11.217 -3.131 6.033 1.00 0.00 H new ATOM 0 HD3 LYS A 473 10.046 -3.748 4.885 1.00 0.00 H new ATOM 0 HE2 LYS A 473 12.165 -3.704 3.759 1.00 0.00 H new ATOM 0 HE3 LYS A 473 11.200 -2.414 3.071 1.00 0.00 H new ATOM 0 HZ1 LYS A 473 13.449 -1.690 3.505 1.00 0.00 H new ATOM 0 HZ2 LYS A 473 12.364 -0.826 4.485 1.00 0.00 H new ATOM 0 HZ3 LYS A 473 13.299 -2.077 5.152 1.00 0.00 H new ATOM 1457 N VAL A 474 7.557 0.862 4.897 1.00 0.00 N ATOM 1458 CA VAL A 474 6.969 1.532 3.723 1.00 0.00 C ATOM 1459 C VAL A 474 8.089 1.960 2.767 1.00 0.00 C ATOM 1460 O VAL A 474 9.132 2.441 3.210 1.00 0.00 O ATOM 1461 CB VAL A 474 6.088 2.742 4.119 1.00 0.00 C ATOM 1462 CG1 VAL A 474 5.348 3.292 2.892 1.00 0.00 C ATOM 1463 CG2 VAL A 474 5.046 2.380 5.192 1.00 0.00 C ATOM 0 H VAL A 474 8.392 1.332 5.246 1.00 0.00 H new ATOM 0 HA VAL A 474 6.312 0.822 3.221 1.00 0.00 H new ATOM 0 HB VAL A 474 6.762 3.494 4.528 1.00 0.00 H new ATOM 0 HG11 VAL A 474 4.733 4.142 3.189 1.00 0.00 H new ATOM 0 HG12 VAL A 474 6.073 3.612 2.143 1.00 0.00 H new ATOM 0 HG13 VAL A 474 4.712 2.513 2.472 1.00 0.00 H new ATOM 0 HG21 VAL A 474 4.453 3.262 5.436 1.00 0.00 H new ATOM 0 HG22 VAL A 474 4.391 1.596 4.813 1.00 0.00 H new ATOM 0 HG23 VAL A 474 5.555 2.026 6.089 1.00 0.00 H new ATOM 1473 N GLN A 475 7.877 1.769 1.463 1.00 0.00 N ATOM 1474 CA GLN A 475 8.898 1.904 0.421 1.00 0.00 C ATOM 1475 C GLN A 475 8.270 2.406 -0.890 1.00 0.00 C ATOM 1476 O GLN A 475 7.163 2.009 -1.252 1.00 0.00 O ATOM 1477 CB GLN A 475 9.554 0.516 0.268 1.00 0.00 C ATOM 1478 CG GLN A 475 10.517 0.306 -0.911 1.00 0.00 C ATOM 1479 CD GLN A 475 11.647 1.332 -1.001 1.00 0.00 C ATOM 1480 OE1 GLN A 475 12.363 1.604 -0.047 1.00 0.00 O ATOM 1481 NE2 GLN A 475 11.834 1.956 -2.146 1.00 0.00 N ATOM 0 H GLN A 475 6.963 1.508 1.092 1.00 0.00 H new ATOM 0 HA GLN A 475 9.653 2.643 0.688 1.00 0.00 H new ATOM 0 HB2 GLN A 475 10.098 0.299 1.188 1.00 0.00 H new ATOM 0 HB3 GLN A 475 8.758 -0.224 0.186 1.00 0.00 H new ATOM 0 HG2 GLN A 475 10.954 -0.690 -0.833 1.00 0.00 H new ATOM 0 HG3 GLN A 475 9.946 0.332 -1.839 1.00 0.00 H new ATOM 0 HE21 GLN A 475 11.243 1.738 -2.948 1.00 0.00 H new ATOM 0 HE22 GLN A 475 12.570 2.658 -2.230 1.00 0.00 H new ATOM 1490 N LEU A 476 8.989 3.267 -1.620 1.00 0.00 N ATOM 1491 CA LEU A 476 8.621 3.704 -2.976 1.00 0.00 C ATOM 1492 C LEU A 476 8.673 2.557 -3.991 1.00 0.00 C ATOM 1493 O LEU A 476 9.506 1.653 -3.893 1.00 0.00 O ATOM 1494 CB LEU A 476 9.572 4.819 -3.461 1.00 0.00 C ATOM 1495 CG LEU A 476 9.356 6.219 -2.862 1.00 0.00 C ATOM 1496 CD1 LEU A 476 10.404 7.167 -3.455 1.00 0.00 C ATOM 1497 CD2 LEU A 476 7.965 6.776 -3.185 1.00 0.00 C ATOM 0 H LEU A 476 9.855 3.687 -1.282 1.00 0.00 H new ATOM 0 HA LEU A 476 7.597 4.072 -2.913 1.00 0.00 H new ATOM 0 HB2 LEU A 476 10.595 4.511 -3.246 1.00 0.00 H new ATOM 0 HB3 LEU A 476 9.483 4.895 -4.545 1.00 0.00 H new ATOM 0 HG LEU A 476 9.447 6.140 -1.779 1.00 0.00 H new ATOM 0 HD11 LEU A 476 10.266 8.166 -3.041 1.00 0.00 H new ATOM 0 HD12 LEU A 476 11.402 6.806 -3.208 1.00 0.00 H new ATOM 0 HD13 LEU A 476 10.290 7.204 -4.538 1.00 0.00 H new ATOM 0 HD21 LEU A 476 7.858 7.766 -2.742 1.00 0.00 H new ATOM 0 HD22 LEU A 476 7.844 6.847 -4.266 1.00 0.00 H new ATOM 0 HD23 LEU A 476 7.203 6.111 -2.777 1.00 0.00 H new ATOM 1509 N LYS A 477 7.844 2.656 -5.033 1.00 0.00 N ATOM 1510 CA LYS A 477 7.875 1.768 -6.203 1.00 0.00 C ATOM 1511 C LYS A 477 9.295 1.689 -6.812 1.00 0.00 C ATOM 1512 O LYS A 477 9.867 2.706 -7.219 1.00 0.00 O ATOM 1513 CB LYS A 477 6.810 2.260 -7.199 1.00 0.00 C ATOM 1514 CG LYS A 477 6.708 1.375 -8.451 1.00 0.00 C ATOM 1515 CD LYS A 477 5.501 1.791 -9.299 1.00 0.00 C ATOM 1516 CE LYS A 477 5.365 0.874 -10.522 1.00 0.00 C ATOM 1517 NZ LYS A 477 4.255 1.315 -11.401 1.00 0.00 N ATOM 0 H LYS A 477 7.117 3.369 -5.090 1.00 0.00 H new ATOM 0 HA LYS A 477 7.635 0.744 -5.916 1.00 0.00 H new ATOM 0 HB2 LYS A 477 5.841 2.290 -6.701 1.00 0.00 H new ATOM 0 HB3 LYS A 477 7.045 3.281 -7.500 1.00 0.00 H new ATOM 0 HG2 LYS A 477 7.621 1.460 -9.040 1.00 0.00 H new ATOM 0 HG3 LYS A 477 6.613 0.329 -8.159 1.00 0.00 H new ATOM 0 HD2 LYS A 477 4.593 1.744 -8.698 1.00 0.00 H new ATOM 0 HD3 LYS A 477 5.615 2.825 -9.623 1.00 0.00 H new ATOM 0 HE2 LYS A 477 6.299 0.872 -11.084 1.00 0.00 H new ATOM 0 HE3 LYS A 477 5.188 -0.150 -10.194 1.00 0.00 H new ATOM 0 HZ1 LYS A 477 4.030 0.561 -12.081 1.00 0.00 H new ATOM 0 HZ2 LYS A 477 3.416 1.522 -10.823 1.00 0.00 H new ATOM 0 HZ3 LYS A 477 4.540 2.172 -11.917 1.00 0.00 H new