USER MOD reduce.3.24.130724 H: found=0, std=0, add=580, rem=0, adj=14 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 393 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 429 SER OG : rot 32:sc= 0.555 USER MOD Single : A 394 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 395 LYS NZ :NH3+ 158:sc= 1 (180deg=0.633) USER MOD Single : A 402 ASN : amide:sc= 0.938 K(o=0.94,f=-6.9!) USER MOD Single : A 406 TYR OH : rot 180:sc= 0 USER MOD Single : A 407 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 410 GLN : amide:sc= 0 X(o=0,f=-0.096) USER MOD Single : A 415 GLN : amide:sc= 0 X(o=0,f=-0.19) USER MOD Single : A 419 GLN : amide:sc= 0 X(o=0,f=-0.26) USER MOD Single : A 420 MET CE :methyl 169:sc= 0 (180deg=-0.283) USER MOD Single : A 422 MET CE :methyl -178:sc= -0.153 (180deg=-0.159) USER MOD Single : A 426 ASN : amide:sc= 0.857 K(o=0.86,f=0) USER MOD Single : A 431 LYS NZ :NH3+ -169:sc= 1.1 (180deg=0.85) USER MOD Single : A 442 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 443 CYS SG : rot -90:sc= 0.0327 USER MOD Single : A 448 SER OG : rot -152:sc= 0.176 USER MOD Single : A 449 TYR OH : rot -157:sc= 1.07 USER MOD Single : A 451 ASN : amide:sc= -0.176 X(o=-0.18,f=-0.095) USER MOD Single : A 454 SER OG : rot 166:sc= 1.21 USER MOD Single : A 456 GLN : amide:sc= 0 K(o=0,f=-0.52) USER MOD Single : A 460 GLN : amide:sc= 0.342 X(o=0.34,f=0) USER MOD Single : A 461 SER OG : rot 92:sc= 1.1 USER MOD Single : A 462 MET CE :methyl -159:sc=-0.00323 (180deg=-0.515) USER MOD Single : A 463 ASN : amide:sc= 0.817 K(o=0.82,f=-6.7!) USER MOD Single : A 466 GLN : amide:sc= -0.128 X(o=-0.13,f=-0.13) USER MOD Single : A 473 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 475 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 477 LYS NZ :NH3+ 169:sc= 1.16 (180deg=1.08) USER MOD ----------------------------------------------------------------- ATOM 182 N ALA A 391 -10.059 1.903 -2.213 1.00 0.00 N ATOM 183 CA ALA A 391 -9.937 0.592 -1.569 1.00 0.00 C ATOM 184 C ALA A 391 -10.451 -0.514 -2.504 1.00 0.00 C ATOM 185 O ALA A 391 -11.622 -0.519 -2.893 1.00 0.00 O ATOM 186 CB ALA A 391 -10.715 0.615 -0.248 1.00 0.00 C ATOM 0 HA ALA A 391 -8.889 0.377 -1.358 1.00 0.00 H new ATOM 0 HB1 ALA A 391 -10.631 -0.356 0.240 1.00 0.00 H new ATOM 0 HB2 ALA A 391 -10.303 1.386 0.404 1.00 0.00 H new ATOM 0 HB3 ALA A 391 -11.764 0.832 -0.448 1.00 0.00 H new ATOM 192 N GLY A 392 -9.562 -1.444 -2.865 1.00 0.00 N ATOM 193 CA GLY A 392 -9.842 -2.529 -3.814 1.00 0.00 C ATOM 194 C GLY A 392 -9.469 -2.180 -5.256 1.00 0.00 C ATOM 195 O GLY A 392 -9.580 -3.035 -6.132 1.00 0.00 O ATOM 0 H GLY A 392 -8.610 -1.466 -2.500 1.00 0.00 H new ATOM 0 HA2 GLY A 392 -9.293 -3.420 -3.509 1.00 0.00 H new ATOM 0 HA3 GLY A 392 -10.902 -2.777 -3.770 1.00 0.00 H new ATOM 199 N SER A 393 -9.010 -0.954 -5.511 1.00 0.00 N ATOM 200 CA SER A 393 -8.524 -0.508 -6.821 1.00 0.00 C ATOM 201 C SER A 393 -6.987 -0.566 -6.906 1.00 0.00 C ATOM 202 O SER A 393 -6.289 -0.697 -5.896 1.00 0.00 O ATOM 203 CB SER A 393 -9.068 0.892 -7.128 1.00 0.00 C ATOM 204 OG SER A 393 -8.862 1.212 -8.499 1.00 0.00 O ATOM 0 H SER A 393 -8.964 -0.226 -4.798 1.00 0.00 H new ATOM 0 HA SER A 393 -8.897 -1.192 -7.584 1.00 0.00 H new ATOM 0 HB2 SER A 393 -10.131 0.936 -6.893 1.00 0.00 H new ATOM 0 HB3 SER A 393 -8.571 1.629 -6.497 1.00 0.00 H new ATOM 0 HG SER A 393 -9.215 2.108 -8.683 1.00 0.00 H new ATOM 210 N GLN A 394 -6.453 -0.509 -8.130 1.00 0.00 N ATOM 211 CA GLN A 394 -5.037 -0.738 -8.441 1.00 0.00 C ATOM 212 C GLN A 394 -4.472 0.326 -9.404 1.00 0.00 C ATOM 213 O GLN A 394 -3.426 0.126 -10.025 1.00 0.00 O ATOM 214 CB GLN A 394 -4.845 -2.180 -8.957 1.00 0.00 C ATOM 215 CG GLN A 394 -5.202 -3.251 -7.908 1.00 0.00 C ATOM 216 CD GLN A 394 -4.881 -4.664 -8.398 1.00 0.00 C ATOM 217 OE1 GLN A 394 -5.451 -5.166 -9.361 1.00 0.00 O ATOM 218 NE2 GLN A 394 -3.965 -5.369 -7.764 1.00 0.00 N ATOM 0 H GLN A 394 -7.010 -0.296 -8.957 1.00 0.00 H new ATOM 0 HA GLN A 394 -4.456 -0.630 -7.525 1.00 0.00 H new ATOM 0 HB2 GLN A 394 -5.463 -2.328 -9.843 1.00 0.00 H new ATOM 0 HB3 GLN A 394 -3.808 -2.314 -9.266 1.00 0.00 H new ATOM 0 HG2 GLN A 394 -4.653 -3.053 -6.987 1.00 0.00 H new ATOM 0 HG3 GLN A 394 -6.263 -3.183 -7.668 1.00 0.00 H new ATOM 0 HE21 GLN A 394 -3.479 -4.970 -6.961 1.00 0.00 H new ATOM 0 HE22 GLN A 394 -3.742 -6.314 -8.077 1.00 0.00 H new ATOM 227 N LYS A 395 -5.151 1.472 -9.537 1.00 0.00 N ATOM 228 CA LYS A 395 -4.638 2.665 -10.212 1.00 0.00 C ATOM 229 C LYS A 395 -3.400 3.245 -9.490 1.00 0.00 C ATOM 230 O LYS A 395 -3.068 2.875 -8.361 1.00 0.00 O ATOM 231 CB LYS A 395 -5.795 3.688 -10.296 1.00 0.00 C ATOM 232 CG LYS A 395 -6.232 3.997 -11.732 1.00 0.00 C ATOM 233 CD LYS A 395 -5.310 4.969 -12.492 1.00 0.00 C ATOM 234 CE LYS A 395 -5.347 6.388 -11.896 1.00 0.00 C ATOM 235 NZ LYS A 395 -4.347 7.288 -12.530 1.00 0.00 N ATOM 0 H LYS A 395 -6.094 1.596 -9.169 1.00 0.00 H new ATOM 0 HA LYS A 395 -4.296 2.411 -11.215 1.00 0.00 H new ATOM 0 HB2 LYS A 395 -6.650 3.305 -9.739 1.00 0.00 H new ATOM 0 HB3 LYS A 395 -5.487 4.614 -9.811 1.00 0.00 H new ATOM 0 HG2 LYS A 395 -6.289 3.062 -12.289 1.00 0.00 H new ATOM 0 HG3 LYS A 395 -7.238 4.416 -11.709 1.00 0.00 H new ATOM 0 HD2 LYS A 395 -4.287 4.592 -12.467 1.00 0.00 H new ATOM 0 HD3 LYS A 395 -5.610 5.008 -13.539 1.00 0.00 H new ATOM 0 HE2 LYS A 395 -6.345 6.808 -12.024 1.00 0.00 H new ATOM 0 HE3 LYS A 395 -5.158 6.335 -10.824 1.00 0.00 H new ATOM 0 HZ1 LYS A 395 -4.634 8.278 -12.392 1.00 0.00 H new ATOM 0 HZ2 LYS A 395 -3.415 7.134 -12.094 1.00 0.00 H new ATOM 0 HZ3 LYS A 395 -4.291 7.082 -13.548 1.00 0.00 H new ATOM 249 N GLU A 396 -2.719 4.199 -10.124 1.00 0.00 N ATOM 250 CA GLU A 396 -1.520 4.832 -9.575 1.00 0.00 C ATOM 251 C GLU A 396 -1.349 6.270 -10.084 1.00 0.00 C ATOM 252 O GLU A 396 -1.934 6.655 -11.102 1.00 0.00 O ATOM 253 CB GLU A 396 -0.287 3.943 -9.833 1.00 0.00 C ATOM 254 CG GLU A 396 0.093 3.810 -11.310 1.00 0.00 C ATOM 255 CD GLU A 396 1.245 2.814 -11.486 1.00 0.00 C ATOM 256 OE1 GLU A 396 2.425 3.202 -11.327 1.00 0.00 O ATOM 257 OE2 GLU A 396 0.986 1.625 -11.777 1.00 0.00 O ATOM 0 H GLU A 396 -2.986 4.557 -11.041 1.00 0.00 H new ATOM 0 HA GLU A 396 -1.633 4.922 -8.495 1.00 0.00 H new ATOM 0 HB2 GLU A 396 0.563 4.352 -9.286 1.00 0.00 H new ATOM 0 HB3 GLU A 396 -0.478 2.949 -9.428 1.00 0.00 H new ATOM 0 HG2 GLU A 396 -0.772 3.478 -11.885 1.00 0.00 H new ATOM 0 HG3 GLU A 396 0.384 4.783 -11.705 1.00 0.00 H new ATOM 264 N GLY A 397 -0.575 7.066 -9.341 1.00 0.00 N ATOM 265 CA GLY A 397 -0.312 8.488 -9.591 1.00 0.00 C ATOM 266 C GLY A 397 1.057 8.751 -10.238 1.00 0.00 C ATOM 267 O GLY A 397 1.652 7.823 -10.802 1.00 0.00 O ATOM 0 H GLY A 397 -0.092 6.722 -8.511 1.00 0.00 H new ATOM 0 HA2 GLY A 397 -1.094 8.886 -10.238 1.00 0.00 H new ATOM 0 HA3 GLY A 397 -0.371 9.032 -8.648 1.00 0.00 H new ATOM 271 N PRO A 398 1.562 10.002 -10.179 1.00 0.00 N ATOM 272 CA PRO A 398 2.815 10.407 -10.822 1.00 0.00 C ATOM 273 C PRO A 398 4.052 9.785 -10.152 1.00 0.00 C ATOM 274 O PRO A 398 3.963 9.163 -9.093 1.00 0.00 O ATOM 275 CB PRO A 398 2.821 11.941 -10.763 1.00 0.00 C ATOM 276 CG PRO A 398 1.990 12.256 -9.522 1.00 0.00 C ATOM 277 CD PRO A 398 0.937 11.150 -9.526 1.00 0.00 C ATOM 0 HA PRO A 398 2.868 10.048 -11.850 1.00 0.00 H new ATOM 0 HB2 PRO A 398 3.834 12.335 -10.678 1.00 0.00 H new ATOM 0 HB3 PRO A 398 2.383 12.378 -11.660 1.00 0.00 H new ATOM 0 HG2 PRO A 398 2.594 12.235 -8.615 1.00 0.00 H new ATOM 0 HG3 PRO A 398 1.537 13.246 -9.580 1.00 0.00 H new ATOM 0 HD2 PRO A 398 0.629 10.901 -8.511 1.00 0.00 H new ATOM 0 HD3 PRO A 398 0.042 11.465 -10.063 1.00 0.00 H new ATOM 285 N GLU A 399 5.220 9.953 -10.780 1.00 0.00 N ATOM 286 CA GLU A 399 6.499 9.416 -10.297 1.00 0.00 C ATOM 287 C GLU A 399 6.829 9.937 -8.884 1.00 0.00 C ATOM 288 O GLU A 399 6.921 11.146 -8.657 1.00 0.00 O ATOM 289 CB GLU A 399 7.610 9.758 -11.305 1.00 0.00 C ATOM 290 CG GLU A 399 8.945 9.087 -10.957 1.00 0.00 C ATOM 291 CD GLU A 399 10.008 9.401 -12.022 1.00 0.00 C ATOM 292 OE1 GLU A 399 10.121 8.640 -13.012 1.00 0.00 O ATOM 293 OE2 GLU A 399 10.743 10.406 -11.875 1.00 0.00 O ATOM 0 H GLU A 399 5.306 10.474 -11.653 1.00 0.00 H new ATOM 0 HA GLU A 399 6.422 8.332 -10.218 1.00 0.00 H new ATOM 0 HB2 GLU A 399 7.300 9.447 -12.302 1.00 0.00 H new ATOM 0 HB3 GLU A 399 7.748 10.839 -11.337 1.00 0.00 H new ATOM 0 HG2 GLU A 399 9.288 9.433 -9.982 1.00 0.00 H new ATOM 0 HG3 GLU A 399 8.806 8.008 -10.882 1.00 0.00 H new ATOM 300 N GLY A 400 6.992 9.013 -7.929 1.00 0.00 N ATOM 301 CA GLY A 400 7.233 9.304 -6.507 1.00 0.00 C ATOM 302 C GLY A 400 5.969 9.355 -5.641 1.00 0.00 C ATOM 303 O GLY A 400 6.082 9.493 -4.425 1.00 0.00 O ATOM 0 H GLY A 400 6.959 8.013 -8.128 1.00 0.00 H new ATOM 0 HA2 GLY A 400 7.903 8.545 -6.103 1.00 0.00 H new ATOM 0 HA3 GLY A 400 7.750 10.260 -6.428 1.00 0.00 H new ATOM 307 N ALA A 401 4.773 9.220 -6.229 1.00 0.00 N ATOM 308 CA ALA A 401 3.488 9.206 -5.513 1.00 0.00 C ATOM 309 C ALA A 401 2.977 7.792 -5.158 1.00 0.00 C ATOM 310 O ALA A 401 1.879 7.655 -4.616 1.00 0.00 O ATOM 311 CB ALA A 401 2.463 9.984 -6.346 1.00 0.00 C ATOM 0 H ALA A 401 4.668 9.115 -7.238 1.00 0.00 H new ATOM 0 HA ALA A 401 3.640 9.687 -4.547 1.00 0.00 H new ATOM 0 HB1 ALA A 401 1.502 9.985 -5.832 1.00 0.00 H new ATOM 0 HB2 ALA A 401 2.805 11.010 -6.478 1.00 0.00 H new ATOM 0 HB3 ALA A 401 2.352 9.510 -7.321 1.00 0.00 H new ATOM 317 N ASN A 402 3.746 6.744 -5.470 1.00 0.00 N ATOM 318 CA ASN A 402 3.315 5.341 -5.405 1.00 0.00 C ATOM 319 C ASN A 402 4.160 4.542 -4.399 1.00 0.00 C ATOM 320 O ASN A 402 5.391 4.532 -4.477 1.00 0.00 O ATOM 321 CB ASN A 402 3.375 4.748 -6.821 1.00 0.00 C ATOM 322 CG ASN A 402 2.580 5.594 -7.815 1.00 0.00 C ATOM 323 OD1 ASN A 402 1.449 5.984 -7.559 1.00 0.00 O ATOM 324 ND2 ASN A 402 3.155 5.929 -8.954 1.00 0.00 N ATOM 0 H ASN A 402 4.711 6.849 -5.783 1.00 0.00 H new ATOM 0 HA ASN A 402 2.289 5.284 -5.042 1.00 0.00 H new ATOM 0 HB2 ASN A 402 4.413 4.683 -7.146 1.00 0.00 H new ATOM 0 HB3 ASN A 402 2.980 3.732 -6.808 1.00 0.00 H new ATOM 0 HD21 ASN A 402 2.657 6.515 -9.624 1.00 0.00 H new ATOM 0 HD22 ASN A 402 4.098 5.602 -9.165 1.00 0.00 H new ATOM 331 N LEU A 403 3.484 3.886 -3.449 1.00 0.00 N ATOM 332 CA LEU A 403 4.052 3.247 -2.260 1.00 0.00 C ATOM 333 C LEU A 403 3.688 1.761 -2.177 1.00 0.00 C ATOM 334 O LEU A 403 2.524 1.392 -2.353 1.00 0.00 O ATOM 335 CB LEU A 403 3.498 3.914 -0.979 1.00 0.00 C ATOM 336 CG LEU A 403 3.483 5.450 -0.898 1.00 0.00 C ATOM 337 CD1 LEU A 403 3.029 5.875 0.504 1.00 0.00 C ATOM 338 CD2 LEU A 403 4.858 6.043 -1.198 1.00 0.00 C ATOM 0 H LEU A 403 2.470 3.782 -3.493 1.00 0.00 H new ATOM 0 HA LEU A 403 5.133 3.360 -2.337 1.00 0.00 H new ATOM 0 HB2 LEU A 403 2.475 3.565 -0.840 1.00 0.00 H new ATOM 0 HB3 LEU A 403 4.079 3.543 -0.135 1.00 0.00 H new ATOM 0 HG LEU A 403 2.789 5.826 -1.650 1.00 0.00 H new ATOM 0 HD11 LEU A 403 3.016 6.963 0.568 1.00 0.00 H new ATOM 0 HD12 LEU A 403 2.028 5.488 0.695 1.00 0.00 H new ATOM 0 HD13 LEU A 403 3.720 5.476 1.247 1.00 0.00 H new ATOM 0 HD21 LEU A 403 4.808 7.130 -1.131 1.00 0.00 H new ATOM 0 HD22 LEU A 403 5.582 5.668 -0.474 1.00 0.00 H new ATOM 0 HD23 LEU A 403 5.167 5.755 -2.203 1.00 0.00 H new ATOM 350 N PHE A 404 4.667 0.937 -1.812 1.00 0.00 N ATOM 351 CA PHE A 404 4.489 -0.459 -1.419 1.00 0.00 C ATOM 352 C PHE A 404 4.678 -0.561 0.099 1.00 0.00 C ATOM 353 O PHE A 404 5.596 0.032 0.671 1.00 0.00 O ATOM 354 CB PHE A 404 5.455 -1.363 -2.189 1.00 0.00 C ATOM 355 CG PHE A 404 5.015 -1.613 -3.616 1.00 0.00 C ATOM 356 CD1 PHE A 404 5.378 -0.718 -4.641 1.00 0.00 C ATOM 357 CD2 PHE A 404 4.199 -2.723 -3.913 1.00 0.00 C ATOM 358 CE1 PHE A 404 4.929 -0.937 -5.955 1.00 0.00 C ATOM 359 CE2 PHE A 404 3.757 -2.944 -5.230 1.00 0.00 C ATOM 360 CZ PHE A 404 4.124 -2.051 -6.252 1.00 0.00 C ATOM 0 H PHE A 404 5.642 1.234 -1.781 1.00 0.00 H new ATOM 0 HA PHE A 404 3.485 -0.801 -1.669 1.00 0.00 H new ATOM 0 HB2 PHE A 404 6.445 -0.908 -2.194 1.00 0.00 H new ATOM 0 HB3 PHE A 404 5.545 -2.317 -1.669 1.00 0.00 H new ATOM 0 HD1 PHE A 404 6.001 0.136 -4.418 1.00 0.00 H new ATOM 0 HD2 PHE A 404 3.912 -3.406 -3.127 1.00 0.00 H new ATOM 0 HE1 PHE A 404 5.203 -0.247 -6.739 1.00 0.00 H new ATOM 0 HE2 PHE A 404 3.136 -3.799 -5.456 1.00 0.00 H new ATOM 0 HZ PHE A 404 3.788 -2.220 -7.264 1.00 0.00 H new ATOM 370 N ILE A 405 3.763 -1.278 0.748 1.00 0.00 N ATOM 371 CA ILE A 405 3.600 -1.339 2.206 1.00 0.00 C ATOM 372 C ILE A 405 3.847 -2.779 2.663 1.00 0.00 C ATOM 373 O ILE A 405 3.336 -3.711 2.047 1.00 0.00 O ATOM 374 CB ILE A 405 2.166 -0.901 2.607 1.00 0.00 C ATOM 375 CG1 ILE A 405 1.577 0.309 1.838 1.00 0.00 C ATOM 376 CG2 ILE A 405 2.102 -0.655 4.125 1.00 0.00 C ATOM 377 CD1 ILE A 405 2.395 1.596 1.839 1.00 0.00 C ATOM 0 H ILE A 405 3.084 -1.858 0.255 1.00 0.00 H new ATOM 0 HA ILE A 405 4.312 -0.665 2.682 1.00 0.00 H new ATOM 0 HB ILE A 405 1.529 -1.735 2.313 1.00 0.00 H new ATOM 0 HG12 ILE A 405 1.421 0.008 0.802 1.00 0.00 H new ATOM 0 HG13 ILE A 405 0.596 0.531 2.257 1.00 0.00 H new ATOM 0 HG21 ILE A 405 1.093 -0.348 4.402 1.00 0.00 H new ATOM 0 HG22 ILE A 405 2.359 -1.573 4.654 1.00 0.00 H new ATOM 0 HG23 ILE A 405 2.808 0.130 4.396 1.00 0.00 H new ATOM 0 HD11 ILE A 405 1.870 2.361 1.267 1.00 0.00 H new ATOM 0 HD12 ILE A 405 2.531 1.940 2.864 1.00 0.00 H new ATOM 0 HD13 ILE A 405 3.369 1.408 1.387 1.00 0.00 H new ATOM 389 N TYR A 406 4.589 -2.973 3.750 1.00 0.00 N ATOM 390 CA TYR A 406 4.948 -4.298 4.278 1.00 0.00 C ATOM 391 C TYR A 406 4.782 -4.390 5.804 1.00 0.00 C ATOM 392 O TYR A 406 4.722 -3.379 6.509 1.00 0.00 O ATOM 393 CB TYR A 406 6.389 -4.659 3.875 1.00 0.00 C ATOM 394 CG TYR A 406 6.767 -4.393 2.428 1.00 0.00 C ATOM 395 CD1 TYR A 406 6.506 -5.359 1.438 1.00 0.00 C ATOM 396 CD2 TYR A 406 7.401 -3.184 2.079 1.00 0.00 C ATOM 397 CE1 TYR A 406 6.879 -5.123 0.100 1.00 0.00 C ATOM 398 CE2 TYR A 406 7.774 -2.939 0.744 1.00 0.00 C ATOM 399 CZ TYR A 406 7.521 -3.912 -0.249 1.00 0.00 C ATOM 400 OH TYR A 406 7.908 -3.683 -1.536 1.00 0.00 O ATOM 0 H TYR A 406 4.967 -2.204 4.303 1.00 0.00 H new ATOM 0 HA TYR A 406 4.256 -5.016 3.838 1.00 0.00 H new ATOM 0 HB2 TYR A 406 7.073 -4.103 4.516 1.00 0.00 H new ATOM 0 HB3 TYR A 406 6.548 -5.717 4.082 1.00 0.00 H new ATOM 0 HD1 TYR A 406 6.018 -6.285 1.705 1.00 0.00 H new ATOM 0 HD2 TYR A 406 7.601 -2.443 2.838 1.00 0.00 H new ATOM 0 HE1 TYR A 406 6.675 -5.865 -0.658 1.00 0.00 H new ATOM 0 HE2 TYR A 406 8.253 -2.008 0.479 1.00 0.00 H new ATOM 0 HH TYR A 406 8.332 -2.802 -1.598 1.00 0.00 H new ATOM 410 N HIS A 407 4.711 -5.624 6.310 1.00 0.00 N ATOM 411 CA HIS A 407 4.559 -5.976 7.729 1.00 0.00 C ATOM 412 C HIS A 407 3.242 -5.457 8.350 1.00 0.00 C ATOM 413 O HIS A 407 3.204 -5.049 9.509 1.00 0.00 O ATOM 414 CB HIS A 407 5.824 -5.583 8.509 1.00 0.00 C ATOM 415 CG HIS A 407 7.080 -6.177 7.937 1.00 0.00 C ATOM 416 ND1 HIS A 407 7.395 -7.538 7.901 1.00 0.00 N ATOM 417 CD2 HIS A 407 8.067 -5.475 7.315 1.00 0.00 C ATOM 418 CE1 HIS A 407 8.570 -7.615 7.253 1.00 0.00 C ATOM 419 NE2 HIS A 407 8.999 -6.393 6.889 1.00 0.00 N ATOM 0 H HIS A 407 4.760 -6.449 5.712 1.00 0.00 H new ATOM 0 HA HIS A 407 4.462 -7.059 7.802 1.00 0.00 H new ATOM 0 HB2 HIS A 407 5.915 -4.497 8.518 1.00 0.00 H new ATOM 0 HB3 HIS A 407 5.718 -5.903 9.546 1.00 0.00 H new ATOM 0 HD2 HIS A 407 8.110 -4.404 7.182 1.00 0.00 H new ATOM 0 HE1 HIS A 407 9.099 -8.535 7.051 1.00 0.00 H new ATOM 0 HE2 HIS A 407 9.862 -6.184 6.387 1.00 0.00 H new ATOM 427 N LEU A 408 2.156 -5.470 7.569 1.00 0.00 N ATOM 428 CA LEU A 408 0.793 -5.129 8.010 1.00 0.00 C ATOM 429 C LEU A 408 0.212 -6.219 8.941 1.00 0.00 C ATOM 430 O LEU A 408 0.725 -7.345 8.965 1.00 0.00 O ATOM 431 CB LEU A 408 -0.100 -4.935 6.761 1.00 0.00 C ATOM 432 CG LEU A 408 0.186 -3.651 5.955 1.00 0.00 C ATOM 433 CD1 LEU A 408 -0.414 -3.775 4.546 1.00 0.00 C ATOM 434 CD2 LEU A 408 -0.412 -2.418 6.648 1.00 0.00 C ATOM 0 H LEU A 408 2.199 -5.725 6.582 1.00 0.00 H new ATOM 0 HA LEU A 408 0.824 -4.204 8.586 1.00 0.00 H new ATOM 0 HB2 LEU A 408 0.026 -5.795 6.104 1.00 0.00 H new ATOM 0 HB3 LEU A 408 -1.144 -4.925 7.076 1.00 0.00 H new ATOM 0 HG LEU A 408 1.267 -3.528 5.892 1.00 0.00 H new ATOM 0 HD11 LEU A 408 -0.209 -2.865 3.982 1.00 0.00 H new ATOM 0 HD12 LEU A 408 0.032 -4.628 4.034 1.00 0.00 H new ATOM 0 HD13 LEU A 408 -1.492 -3.920 4.621 1.00 0.00 H new ATOM 0 HD21 LEU A 408 -0.195 -1.528 6.058 1.00 0.00 H new ATOM 0 HD22 LEU A 408 -1.491 -2.539 6.738 1.00 0.00 H new ATOM 0 HD23 LEU A 408 0.025 -2.311 7.641 1.00 0.00 H new ATOM 446 N PRO A 409 -0.856 -5.921 9.704 1.00 0.00 N ATOM 447 CA PRO A 409 -1.624 -6.932 10.431 1.00 0.00 C ATOM 448 C PRO A 409 -2.244 -7.960 9.468 1.00 0.00 C ATOM 449 O PRO A 409 -2.602 -7.624 8.340 1.00 0.00 O ATOM 450 CB PRO A 409 -2.706 -6.155 11.195 1.00 0.00 C ATOM 451 CG PRO A 409 -2.107 -4.756 11.332 1.00 0.00 C ATOM 452 CD PRO A 409 -1.351 -4.589 10.020 1.00 0.00 C ATOM 0 HA PRO A 409 -0.992 -7.506 11.109 1.00 0.00 H new ATOM 0 HB2 PRO A 409 -3.649 -6.137 10.649 1.00 0.00 H new ATOM 0 HB3 PRO A 409 -2.910 -6.602 12.168 1.00 0.00 H new ATOM 0 HG2 PRO A 409 -2.878 -3.995 11.456 1.00 0.00 H new ATOM 0 HG3 PRO A 409 -1.444 -4.681 12.194 1.00 0.00 H new ATOM 0 HD2 PRO A 409 -2.004 -4.212 9.232 1.00 0.00 H new ATOM 0 HD3 PRO A 409 -0.532 -3.877 10.123 1.00 0.00 H new ATOM 460 N GLN A 410 -2.407 -9.209 9.917 1.00 0.00 N ATOM 461 CA GLN A 410 -3.007 -10.291 9.110 1.00 0.00 C ATOM 462 C GLN A 410 -4.526 -10.137 8.881 1.00 0.00 C ATOM 463 O GLN A 410 -5.114 -10.859 8.075 1.00 0.00 O ATOM 464 CB GLN A 410 -2.679 -11.650 9.752 1.00 0.00 C ATOM 465 CG GLN A 410 -3.339 -11.887 11.126 1.00 0.00 C ATOM 466 CD GLN A 410 -3.014 -13.265 11.715 1.00 0.00 C ATOM 467 OE1 GLN A 410 -1.904 -13.779 11.622 1.00 0.00 O ATOM 468 NE2 GLN A 410 -3.964 -13.925 12.347 1.00 0.00 N ATOM 0 H GLN A 410 -2.128 -9.505 10.852 1.00 0.00 H new ATOM 0 HA GLN A 410 -2.563 -10.229 8.117 1.00 0.00 H new ATOM 0 HB2 GLN A 410 -2.991 -12.443 9.072 1.00 0.00 H new ATOM 0 HB3 GLN A 410 -1.598 -11.733 9.864 1.00 0.00 H new ATOM 0 HG2 GLN A 410 -3.009 -11.114 11.820 1.00 0.00 H new ATOM 0 HG3 GLN A 410 -4.420 -11.786 11.026 1.00 0.00 H new ATOM 0 HE21 GLN A 410 -4.895 -13.518 12.437 1.00 0.00 H new ATOM 0 HE22 GLN A 410 -3.768 -14.843 12.746 1.00 0.00 H new ATOM 477 N GLU A 411 -5.151 -9.198 9.595 1.00 0.00 N ATOM 478 CA GLU A 411 -6.589 -8.890 9.566 1.00 0.00 C ATOM 479 C GLU A 411 -6.947 -7.609 8.787 1.00 0.00 C ATOM 480 O GLU A 411 -8.126 -7.338 8.545 1.00 0.00 O ATOM 481 CB GLU A 411 -7.105 -8.805 11.010 1.00 0.00 C ATOM 482 CG GLU A 411 -6.535 -7.633 11.827 1.00 0.00 C ATOM 483 CD GLU A 411 -7.079 -7.658 13.263 1.00 0.00 C ATOM 484 OE1 GLU A 411 -8.142 -7.047 13.525 1.00 0.00 O ATOM 485 OE2 GLU A 411 -6.445 -8.287 14.142 1.00 0.00 O ATOM 0 H GLU A 411 -4.643 -8.598 10.245 1.00 0.00 H new ATOM 0 HA GLU A 411 -7.078 -9.699 9.023 1.00 0.00 H new ATOM 0 HB2 GLU A 411 -8.192 -8.721 10.989 1.00 0.00 H new ATOM 0 HB3 GLU A 411 -6.867 -9.737 11.522 1.00 0.00 H new ATOM 0 HG2 GLU A 411 -5.447 -7.690 11.844 1.00 0.00 H new ATOM 0 HG3 GLU A 411 -6.797 -6.689 11.350 1.00 0.00 H new ATOM 492 N PHE A 412 -5.942 -6.819 8.397 1.00 0.00 N ATOM 493 CA PHE A 412 -6.107 -5.573 7.640 1.00 0.00 C ATOM 494 C PHE A 412 -6.602 -5.851 6.214 1.00 0.00 C ATOM 495 O PHE A 412 -5.984 -6.626 5.483 1.00 0.00 O ATOM 496 CB PHE A 412 -4.779 -4.787 7.622 1.00 0.00 C ATOM 497 CG PHE A 412 -4.797 -3.501 8.425 1.00 0.00 C ATOM 498 CD1 PHE A 412 -5.178 -3.520 9.782 1.00 0.00 C ATOM 499 CD2 PHE A 412 -4.435 -2.281 7.820 1.00 0.00 C ATOM 500 CE1 PHE A 412 -5.204 -2.326 10.525 1.00 0.00 C ATOM 501 CE2 PHE A 412 -4.462 -1.089 8.564 1.00 0.00 C ATOM 502 CZ PHE A 412 -4.851 -1.110 9.915 1.00 0.00 C ATOM 0 H PHE A 412 -4.966 -7.033 8.604 1.00 0.00 H new ATOM 0 HA PHE A 412 -6.865 -4.966 8.135 1.00 0.00 H new ATOM 0 HB2 PHE A 412 -3.986 -5.429 8.006 1.00 0.00 H new ATOM 0 HB3 PHE A 412 -4.525 -4.551 6.588 1.00 0.00 H new ATOM 0 HD1 PHE A 412 -5.451 -4.453 10.252 1.00 0.00 H new ATOM 0 HD2 PHE A 412 -4.136 -2.262 6.782 1.00 0.00 H new ATOM 0 HE1 PHE A 412 -5.495 -2.344 11.565 1.00 0.00 H new ATOM 0 HE2 PHE A 412 -4.184 -0.156 8.097 1.00 0.00 H new ATOM 0 HZ PHE A 412 -4.879 -0.192 10.484 1.00 0.00 H new ATOM 512 N GLY A 413 -7.695 -5.198 5.808 1.00 0.00 N ATOM 513 CA GLY A 413 -8.216 -5.203 4.438 1.00 0.00 C ATOM 514 C GLY A 413 -7.946 -3.897 3.695 1.00 0.00 C ATOM 515 O GLY A 413 -7.289 -2.985 4.199 1.00 0.00 O ATOM 0 H GLY A 413 -8.259 -4.634 6.444 1.00 0.00 H new ATOM 0 HA2 GLY A 413 -7.766 -6.029 3.887 1.00 0.00 H new ATOM 0 HA3 GLY A 413 -9.290 -5.385 4.464 1.00 0.00 H new ATOM 519 N ASP A 414 -8.489 -3.797 2.481 1.00 0.00 N ATOM 520 CA ASP A 414 -8.262 -2.661 1.576 1.00 0.00 C ATOM 521 C ASP A 414 -8.776 -1.326 2.148 1.00 0.00 C ATOM 522 O ASP A 414 -8.161 -0.282 1.938 1.00 0.00 O ATOM 523 CB ASP A 414 -8.943 -2.934 0.226 1.00 0.00 C ATOM 524 CG ASP A 414 -8.457 -4.206 -0.474 1.00 0.00 C ATOM 525 OD1 ASP A 414 -7.238 -4.482 -0.450 1.00 0.00 O ATOM 526 OD2 ASP A 414 -9.273 -4.924 -1.093 1.00 0.00 O ATOM 0 H ASP A 414 -9.106 -4.509 2.091 1.00 0.00 H new ATOM 0 HA ASP A 414 -7.184 -2.564 1.451 1.00 0.00 H new ATOM 0 HB2 ASP A 414 -10.019 -3.007 0.382 1.00 0.00 H new ATOM 0 HB3 ASP A 414 -8.774 -2.082 -0.433 1.00 0.00 H new ATOM 531 N GLN A 415 -9.884 -1.368 2.896 1.00 0.00 N ATOM 532 CA GLN A 415 -10.480 -0.193 3.540 1.00 0.00 C ATOM 533 C GLN A 415 -9.718 0.216 4.809 1.00 0.00 C ATOM 534 O GLN A 415 -9.640 1.405 5.113 1.00 0.00 O ATOM 535 CB GLN A 415 -11.958 -0.465 3.869 1.00 0.00 C ATOM 536 CG GLN A 415 -12.827 -0.640 2.609 1.00 0.00 C ATOM 537 CD GLN A 415 -14.313 -0.850 2.923 1.00 0.00 C ATOM 538 OE1 GLN A 415 -14.705 -1.407 3.943 1.00 0.00 O ATOM 539 NE2 GLN A 415 -15.209 -0.412 2.061 1.00 0.00 N ATOM 0 H GLN A 415 -10.399 -2.231 3.073 1.00 0.00 H new ATOM 0 HA GLN A 415 -10.412 0.638 2.838 1.00 0.00 H new ATOM 0 HB2 GLN A 415 -12.030 -1.363 4.482 1.00 0.00 H new ATOM 0 HB3 GLN A 415 -12.351 0.359 4.464 1.00 0.00 H new ATOM 0 HG2 GLN A 415 -12.717 0.240 1.975 1.00 0.00 H new ATOM 0 HG3 GLN A 415 -12.459 -1.492 2.038 1.00 0.00 H new ATOM 0 HE21 GLN A 415 -14.908 0.055 1.205 1.00 0.00 H new ATOM 0 HE22 GLN A 415 -16.203 -0.540 2.250 1.00 0.00 H new ATOM 548 N ASP A 416 -9.104 -0.736 5.523 1.00 0.00 N ATOM 549 CA ASP A 416 -8.258 -0.447 6.686 1.00 0.00 C ATOM 550 C ASP A 416 -6.951 0.228 6.249 1.00 0.00 C ATOM 551 O ASP A 416 -6.521 1.204 6.868 1.00 0.00 O ATOM 552 CB ASP A 416 -7.954 -1.731 7.471 1.00 0.00 C ATOM 553 CG ASP A 416 -9.219 -2.456 7.949 1.00 0.00 C ATOM 554 OD1 ASP A 416 -9.872 -1.970 8.903 1.00 0.00 O ATOM 555 OD2 ASP A 416 -9.535 -3.524 7.375 1.00 0.00 O ATOM 0 H ASP A 416 -9.181 -1.730 5.309 1.00 0.00 H new ATOM 0 HA ASP A 416 -8.802 0.236 7.338 1.00 0.00 H new ATOM 0 HB2 ASP A 416 -7.371 -2.405 6.843 1.00 0.00 H new ATOM 0 HB3 ASP A 416 -7.335 -1.485 8.334 1.00 0.00 H new ATOM 560 N LEU A 417 -6.360 -0.234 5.138 1.00 0.00 N ATOM 561 CA LEU A 417 -5.192 0.397 4.528 1.00 0.00 C ATOM 562 C LEU A 417 -5.527 1.788 3.972 1.00 0.00 C ATOM 563 O LEU A 417 -4.741 2.716 4.155 1.00 0.00 O ATOM 564 CB LEU A 417 -4.618 -0.538 3.448 1.00 0.00 C ATOM 565 CG LEU A 417 -3.226 -0.105 2.941 1.00 0.00 C ATOM 566 CD1 LEU A 417 -2.162 -0.253 4.038 1.00 0.00 C ATOM 567 CD2 LEU A 417 -2.823 -0.951 1.727 1.00 0.00 C ATOM 0 H LEU A 417 -6.685 -1.062 4.638 1.00 0.00 H new ATOM 0 HA LEU A 417 -4.430 0.554 5.291 1.00 0.00 H new ATOM 0 HB2 LEU A 417 -4.552 -1.549 3.851 1.00 0.00 H new ATOM 0 HB3 LEU A 417 -5.308 -0.575 2.605 1.00 0.00 H new ATOM 0 HG LEU A 417 -3.287 0.945 2.657 1.00 0.00 H new ATOM 0 HD11 LEU A 417 -1.193 0.060 3.649 1.00 0.00 H new ATOM 0 HD12 LEU A 417 -2.430 0.371 4.891 1.00 0.00 H new ATOM 0 HD13 LEU A 417 -2.107 -1.295 4.353 1.00 0.00 H new ATOM 0 HD21 LEU A 417 -1.840 -0.638 1.376 1.00 0.00 H new ATOM 0 HD22 LEU A 417 -2.789 -2.003 2.011 1.00 0.00 H new ATOM 0 HD23 LEU A 417 -3.553 -0.814 0.929 1.00 0.00 H new ATOM 579 N LEU A 418 -6.706 1.973 3.362 1.00 0.00 N ATOM 580 CA LEU A 418 -7.169 3.292 2.920 1.00 0.00 C ATOM 581 C LEU A 418 -7.320 4.251 4.110 1.00 0.00 C ATOM 582 O LEU A 418 -6.779 5.353 4.075 1.00 0.00 O ATOM 583 CB LEU A 418 -8.476 3.139 2.117 1.00 0.00 C ATOM 584 CG LEU A 418 -9.060 4.468 1.589 1.00 0.00 C ATOM 585 CD1 LEU A 418 -8.112 5.166 0.606 1.00 0.00 C ATOM 586 CD2 LEU A 418 -10.415 4.228 0.912 1.00 0.00 C ATOM 0 H LEU A 418 -7.361 1.217 3.163 1.00 0.00 H new ATOM 0 HA LEU A 418 -6.422 3.736 2.262 1.00 0.00 H new ATOM 0 HB2 LEU A 418 -8.293 2.475 1.272 1.00 0.00 H new ATOM 0 HB3 LEU A 418 -9.221 2.654 2.748 1.00 0.00 H new ATOM 0 HG LEU A 418 -9.191 5.122 2.451 1.00 0.00 H new ATOM 0 HD11 LEU A 418 -8.565 6.096 0.262 1.00 0.00 H new ATOM 0 HD12 LEU A 418 -7.168 5.385 1.105 1.00 0.00 H new ATOM 0 HD13 LEU A 418 -7.928 4.514 -0.248 1.00 0.00 H new ATOM 0 HD21 LEU A 418 -10.812 5.175 0.546 1.00 0.00 H new ATOM 0 HD22 LEU A 418 -10.287 3.541 0.076 1.00 0.00 H new ATOM 0 HD23 LEU A 418 -11.110 3.797 1.632 1.00 0.00 H new ATOM 598 N GLN A 419 -8.003 3.838 5.181 1.00 0.00 N ATOM 599 CA GLN A 419 -8.225 4.684 6.361 1.00 0.00 C ATOM 600 C GLN A 419 -6.941 4.962 7.161 1.00 0.00 C ATOM 601 O GLN A 419 -6.856 5.993 7.829 1.00 0.00 O ATOM 602 CB GLN A 419 -9.323 4.065 7.241 1.00 0.00 C ATOM 603 CG GLN A 419 -10.709 4.221 6.587 1.00 0.00 C ATOM 604 CD GLN A 419 -11.846 3.548 7.360 1.00 0.00 C ATOM 605 OE1 GLN A 419 -11.734 3.151 8.515 1.00 0.00 O ATOM 606 NE2 GLN A 419 -13.008 3.414 6.753 1.00 0.00 N ATOM 0 H GLN A 419 -8.418 2.909 5.256 1.00 0.00 H new ATOM 0 HA GLN A 419 -8.557 5.660 6.007 1.00 0.00 H new ATOM 0 HB2 GLN A 419 -9.111 3.008 7.404 1.00 0.00 H new ATOM 0 HB3 GLN A 419 -9.323 4.545 8.220 1.00 0.00 H new ATOM 0 HG2 GLN A 419 -10.933 5.283 6.485 1.00 0.00 H new ATOM 0 HG3 GLN A 419 -10.672 3.804 5.580 1.00 0.00 H new ATOM 0 HE21 GLN A 419 -13.122 3.738 5.792 1.00 0.00 H new ATOM 0 HE22 GLN A 419 -13.793 2.987 7.244 1.00 0.00 H new ATOM 615 N MET A 420 -5.918 4.109 7.044 1.00 0.00 N ATOM 616 CA MET A 420 -4.582 4.349 7.599 1.00 0.00 C ATOM 617 C MET A 420 -3.785 5.406 6.813 1.00 0.00 C ATOM 618 O MET A 420 -2.980 6.115 7.418 1.00 0.00 O ATOM 619 CB MET A 420 -3.845 3.000 7.679 1.00 0.00 C ATOM 620 CG MET A 420 -2.388 3.112 8.144 1.00 0.00 C ATOM 621 SD MET A 420 -1.525 1.525 8.249 1.00 0.00 S ATOM 622 CE MET A 420 -1.974 1.061 9.934 1.00 0.00 C ATOM 0 H MET A 420 -5.996 3.218 6.553 1.00 0.00 H new ATOM 0 HA MET A 420 -4.684 4.771 8.599 1.00 0.00 H new ATOM 0 HB2 MET A 420 -4.384 2.343 8.362 1.00 0.00 H new ATOM 0 HB3 MET A 420 -3.867 2.527 6.697 1.00 0.00 H new ATOM 0 HG2 MET A 420 -1.847 3.763 7.457 1.00 0.00 H new ATOM 0 HG3 MET A 420 -2.365 3.592 9.123 1.00 0.00 H new ATOM 0 HE1 MET A 420 -1.696 0.022 10.112 1.00 0.00 H new ATOM 0 HE2 MET A 420 -1.448 1.703 10.641 1.00 0.00 H new ATOM 0 HE3 MET A 420 -3.049 1.177 10.069 1.00 0.00 H new ATOM 632 N PHE A 421 -4.014 5.548 5.499 1.00 0.00 N ATOM 633 CA PHE A 421 -3.205 6.390 4.603 1.00 0.00 C ATOM 634 C PHE A 421 -3.910 7.670 4.101 1.00 0.00 C ATOM 635 O PHE A 421 -3.231 8.628 3.727 1.00 0.00 O ATOM 636 CB PHE A 421 -2.649 5.516 3.462 1.00 0.00 C ATOM 637 CG PHE A 421 -1.409 4.707 3.836 1.00 0.00 C ATOM 638 CD1 PHE A 421 -1.511 3.556 4.638 1.00 0.00 C ATOM 639 CD2 PHE A 421 -0.134 5.113 3.390 1.00 0.00 C ATOM 640 CE1 PHE A 421 -0.361 2.838 5.012 1.00 0.00 C ATOM 641 CE2 PHE A 421 1.019 4.401 3.768 1.00 0.00 C ATOM 642 CZ PHE A 421 0.907 3.268 4.589 1.00 0.00 C ATOM 0 H PHE A 421 -4.779 5.073 5.020 1.00 0.00 H new ATOM 0 HA PHE A 421 -2.377 6.789 5.189 1.00 0.00 H new ATOM 0 HB2 PHE A 421 -3.430 4.831 3.132 1.00 0.00 H new ATOM 0 HB3 PHE A 421 -2.408 6.157 2.614 1.00 0.00 H new ATOM 0 HD1 PHE A 421 -2.482 3.220 4.970 1.00 0.00 H new ATOM 0 HD2 PHE A 421 -0.042 5.979 2.752 1.00 0.00 H new ATOM 0 HE1 PHE A 421 -0.453 1.954 5.626 1.00 0.00 H new ATOM 0 HE2 PHE A 421 1.991 4.726 3.426 1.00 0.00 H new ATOM 0 HZ PHE A 421 1.792 2.729 4.894 1.00 0.00 H new ATOM 652 N MET A 422 -5.242 7.772 4.179 1.00 0.00 N ATOM 653 CA MET A 422 -5.988 9.013 3.915 1.00 0.00 C ATOM 654 C MET A 422 -5.537 10.260 4.718 1.00 0.00 C ATOM 655 O MET A 422 -5.609 11.353 4.149 1.00 0.00 O ATOM 656 CB MET A 422 -7.489 8.760 4.130 1.00 0.00 C ATOM 657 CG MET A 422 -8.149 8.144 2.891 1.00 0.00 C ATOM 658 SD MET A 422 -9.965 8.167 2.865 1.00 0.00 S ATOM 659 CE MET A 422 -10.359 7.187 4.339 1.00 0.00 C ATOM 0 H MET A 422 -5.842 6.986 4.430 1.00 0.00 H new ATOM 0 HA MET A 422 -5.767 9.265 2.878 1.00 0.00 H new ATOM 0 HB2 MET A 422 -7.626 8.095 4.983 1.00 0.00 H new ATOM 0 HB3 MET A 422 -7.984 9.700 4.375 1.00 0.00 H new ATOM 0 HG2 MET A 422 -7.786 8.672 2.009 1.00 0.00 H new ATOM 0 HG3 MET A 422 -7.817 7.110 2.803 1.00 0.00 H new ATOM 0 HE1 MET A 422 -11.440 7.086 4.431 1.00 0.00 H new ATOM 0 HE2 MET A 422 -9.909 6.198 4.250 1.00 0.00 H new ATOM 0 HE3 MET A 422 -9.965 7.687 5.224 1.00 0.00 H new ATOM 669 N PRO A 423 -5.056 10.156 5.979 1.00 0.00 N ATOM 670 CA PRO A 423 -4.579 11.302 6.760 1.00 0.00 C ATOM 671 C PRO A 423 -3.408 12.102 6.160 1.00 0.00 C ATOM 672 O PRO A 423 -3.169 13.223 6.611 1.00 0.00 O ATOM 673 CB PRO A 423 -4.192 10.731 8.129 1.00 0.00 C ATOM 674 CG PRO A 423 -5.130 9.539 8.283 1.00 0.00 C ATOM 675 CD PRO A 423 -5.196 9.001 6.857 1.00 0.00 C ATOM 0 HA PRO A 423 -5.380 12.041 6.794 1.00 0.00 H new ATOM 0 HB2 PRO A 423 -3.146 10.427 8.158 1.00 0.00 H new ATOM 0 HB3 PRO A 423 -4.334 11.461 8.925 1.00 0.00 H new ATOM 0 HG2 PRO A 423 -4.738 8.799 8.981 1.00 0.00 H new ATOM 0 HG3 PRO A 423 -6.111 9.837 8.652 1.00 0.00 H new ATOM 0 HD2 PRO A 423 -4.401 8.277 6.677 1.00 0.00 H new ATOM 0 HD3 PRO A 423 -6.141 8.488 6.678 1.00 0.00 H new ATOM 683 N PHE A 424 -2.688 11.569 5.161 1.00 0.00 N ATOM 684 CA PHE A 424 -1.487 12.202 4.587 1.00 0.00 C ATOM 685 C PHE A 424 -1.731 12.895 3.235 1.00 0.00 C ATOM 686 O PHE A 424 -0.878 13.656 2.768 1.00 0.00 O ATOM 687 CB PHE A 424 -0.375 11.149 4.483 1.00 0.00 C ATOM 688 CG PHE A 424 -0.200 10.333 5.749 1.00 0.00 C ATOM 689 CD1 PHE A 424 0.193 10.961 6.947 1.00 0.00 C ATOM 690 CD2 PHE A 424 -0.516 8.964 5.750 1.00 0.00 C ATOM 691 CE1 PHE A 424 0.250 10.223 8.142 1.00 0.00 C ATOM 692 CE2 PHE A 424 -0.435 8.221 6.938 1.00 0.00 C ATOM 693 CZ PHE A 424 -0.069 8.853 8.139 1.00 0.00 C ATOM 0 H PHE A 424 -2.924 10.678 4.724 1.00 0.00 H new ATOM 0 HA PHE A 424 -1.186 13.005 5.260 1.00 0.00 H new ATOM 0 HB2 PHE A 424 -0.597 10.477 3.654 1.00 0.00 H new ATOM 0 HB3 PHE A 424 0.566 11.646 4.247 1.00 0.00 H new ATOM 0 HD1 PHE A 424 0.451 12.010 6.947 1.00 0.00 H new ATOM 0 HD2 PHE A 424 -0.822 8.482 4.833 1.00 0.00 H new ATOM 0 HE1 PHE A 424 0.539 10.708 9.063 1.00 0.00 H new ATOM 0 HE2 PHE A 424 -0.654 7.163 6.929 1.00 0.00 H new ATOM 0 HZ PHE A 424 -0.033 8.287 9.058 1.00 0.00 H new ATOM 703 N GLY A 425 -2.901 12.673 2.627 1.00 0.00 N ATOM 704 CA GLY A 425 -3.350 13.332 1.393 1.00 0.00 C ATOM 705 C GLY A 425 -4.357 12.516 0.584 1.00 0.00 C ATOM 706 O GLY A 425 -4.887 11.508 1.051 1.00 0.00 O ATOM 0 H GLY A 425 -3.584 12.009 2.991 1.00 0.00 H new ATOM 0 HA2 GLY A 425 -3.798 14.292 1.648 1.00 0.00 H new ATOM 0 HA3 GLY A 425 -2.482 13.541 0.768 1.00 0.00 H new ATOM 710 N ASN A 426 -4.634 12.960 -0.645 1.00 0.00 N ATOM 711 CA ASN A 426 -5.642 12.341 -1.510 1.00 0.00 C ATOM 712 C ASN A 426 -5.137 10.999 -2.073 1.00 0.00 C ATOM 713 O ASN A 426 -4.374 10.965 -3.041 1.00 0.00 O ATOM 714 CB ASN A 426 -6.052 13.309 -2.632 1.00 0.00 C ATOM 715 CG ASN A 426 -6.557 14.653 -2.115 1.00 0.00 C ATOM 716 OD1 ASN A 426 -7.501 14.728 -1.337 1.00 0.00 O ATOM 717 ND2 ASN A 426 -5.944 15.748 -2.527 1.00 0.00 N ATOM 0 H ASN A 426 -4.165 13.760 -1.069 1.00 0.00 H new ATOM 0 HA ASN A 426 -6.528 12.127 -0.913 1.00 0.00 H new ATOM 0 HB2 ASN A 426 -5.197 13.477 -3.287 1.00 0.00 H new ATOM 0 HB3 ASN A 426 -6.831 12.844 -3.237 1.00 0.00 H new ATOM 0 HD21 ASN A 426 -6.256 16.662 -2.198 1.00 0.00 H new ATOM 0 HD22 ASN A 426 -5.159 15.680 -3.175 1.00 0.00 H new ATOM 724 N VAL A 427 -5.567 9.891 -1.461 1.00 0.00 N ATOM 725 CA VAL A 427 -5.252 8.523 -1.907 1.00 0.00 C ATOM 726 C VAL A 427 -6.035 8.214 -3.192 1.00 0.00 C ATOM 727 O VAL A 427 -7.257 8.349 -3.235 1.00 0.00 O ATOM 728 CB VAL A 427 -5.540 7.472 -0.807 1.00 0.00 C ATOM 729 CG1 VAL A 427 -5.305 6.037 -1.307 1.00 0.00 C ATOM 730 CG2 VAL A 427 -4.654 7.690 0.431 1.00 0.00 C ATOM 0 H VAL A 427 -6.154 9.916 -0.627 1.00 0.00 H new ATOM 0 HA VAL A 427 -4.183 8.466 -2.115 1.00 0.00 H new ATOM 0 HB VAL A 427 -6.589 7.601 -0.543 1.00 0.00 H new ATOM 0 HG11 VAL A 427 -5.519 5.332 -0.504 1.00 0.00 H new ATOM 0 HG12 VAL A 427 -5.963 5.834 -2.152 1.00 0.00 H new ATOM 0 HG13 VAL A 427 -4.267 5.926 -1.620 1.00 0.00 H new ATOM 0 HG21 VAL A 427 -4.885 6.934 1.181 1.00 0.00 H new ATOM 0 HG22 VAL A 427 -3.605 7.611 0.146 1.00 0.00 H new ATOM 0 HG23 VAL A 427 -4.844 8.681 0.844 1.00 0.00 H new ATOM 740 N VAL A 428 -5.310 7.801 -4.231 1.00 0.00 N ATOM 741 CA VAL A 428 -5.820 7.454 -5.570 1.00 0.00 C ATOM 742 C VAL A 428 -6.263 5.984 -5.627 1.00 0.00 C ATOM 743 O VAL A 428 -7.272 5.668 -6.256 1.00 0.00 O ATOM 744 CB VAL A 428 -4.743 7.767 -6.640 1.00 0.00 C ATOM 745 CG1 VAL A 428 -5.010 7.135 -8.019 1.00 0.00 C ATOM 746 CG2 VAL A 428 -4.617 9.290 -6.817 1.00 0.00 C ATOM 0 H VAL A 428 -4.298 7.692 -4.165 1.00 0.00 H new ATOM 0 HA VAL A 428 -6.700 8.062 -5.782 1.00 0.00 H new ATOM 0 HB VAL A 428 -3.821 7.324 -6.265 1.00 0.00 H new ATOM 0 HG11 VAL A 428 -4.207 7.406 -8.705 1.00 0.00 H new ATOM 0 HG12 VAL A 428 -5.052 6.050 -7.920 1.00 0.00 H new ATOM 0 HG13 VAL A 428 -5.960 7.501 -8.409 1.00 0.00 H new ATOM 0 HG21 VAL A 428 -3.859 9.507 -7.570 1.00 0.00 H new ATOM 0 HG22 VAL A 428 -5.575 9.700 -7.138 1.00 0.00 H new ATOM 0 HG23 VAL A 428 -4.327 9.744 -5.869 1.00 0.00 H new ATOM 756 N SER A 429 -5.555 5.092 -4.933 1.00 0.00 N ATOM 757 CA SER A 429 -5.836 3.653 -4.827 1.00 0.00 C ATOM 758 C SER A 429 -5.117 3.054 -3.611 1.00 0.00 C ATOM 759 O SER A 429 -4.067 3.551 -3.195 1.00 0.00 O ATOM 760 CB SER A 429 -5.414 2.923 -6.110 1.00 0.00 C ATOM 761 OG SER A 429 -6.430 3.007 -7.096 1.00 0.00 O ATOM 0 H SER A 429 -4.728 5.364 -4.402 1.00 0.00 H new ATOM 0 HA SER A 429 -6.910 3.523 -4.694 1.00 0.00 H new ATOM 0 HB2 SER A 429 -4.491 3.358 -6.494 1.00 0.00 H new ATOM 0 HB3 SER A 429 -5.204 1.877 -5.886 1.00 0.00 H new ATOM 0 HG SER A 429 -6.913 3.854 -6.996 1.00 0.00 H new ATOM 767 N ALA A 430 -5.687 1.987 -3.041 1.00 0.00 N ATOM 768 CA ALA A 430 -5.180 1.279 -1.869 1.00 0.00 C ATOM 769 C ALA A 430 -5.620 -0.193 -1.906 1.00 0.00 C ATOM 770 O ALA A 430 -6.786 -0.504 -2.166 1.00 0.00 O ATOM 771 CB ALA A 430 -5.671 1.984 -0.596 1.00 0.00 C ATOM 0 H ALA A 430 -6.550 1.579 -3.401 1.00 0.00 H new ATOM 0 HA ALA A 430 -4.090 1.295 -1.871 1.00 0.00 H new ATOM 0 HB1 ALA A 430 -5.294 1.457 0.280 1.00 0.00 H new ATOM 0 HB2 ALA A 430 -5.308 3.012 -0.586 1.00 0.00 H new ATOM 0 HB3 ALA A 430 -6.761 1.984 -0.578 1.00 0.00 H new ATOM 777 N LYS A 431 -4.690 -1.108 -1.632 1.00 0.00 N ATOM 778 CA LYS A 431 -4.920 -2.550 -1.745 1.00 0.00 C ATOM 779 C LYS A 431 -4.009 -3.357 -0.802 1.00 0.00 C ATOM 780 O LYS A 431 -2.809 -3.111 -0.746 1.00 0.00 O ATOM 781 CB LYS A 431 -4.672 -2.964 -3.215 1.00 0.00 C ATOM 782 CG LYS A 431 -5.097 -4.405 -3.555 1.00 0.00 C ATOM 783 CD LYS A 431 -6.605 -4.501 -3.822 1.00 0.00 C ATOM 784 CE LYS A 431 -7.111 -5.952 -3.884 1.00 0.00 C ATOM 785 NZ LYS A 431 -7.329 -6.537 -2.534 1.00 0.00 N ATOM 0 H LYS A 431 -3.748 -0.868 -1.323 1.00 0.00 H new ATOM 0 HA LYS A 431 -5.947 -2.768 -1.451 1.00 0.00 H new ATOM 0 HB2 LYS A 431 -5.210 -2.277 -3.868 1.00 0.00 H new ATOM 0 HB3 LYS A 431 -3.611 -2.850 -3.437 1.00 0.00 H new ATOM 0 HG2 LYS A 431 -4.549 -4.749 -4.432 1.00 0.00 H new ATOM 0 HG3 LYS A 431 -4.830 -5.068 -2.732 1.00 0.00 H new ATOM 0 HD2 LYS A 431 -7.142 -3.967 -3.038 1.00 0.00 H new ATOM 0 HD3 LYS A 431 -6.835 -4.001 -4.763 1.00 0.00 H new ATOM 0 HE2 LYS A 431 -8.045 -5.984 -4.446 1.00 0.00 H new ATOM 0 HE3 LYS A 431 -6.390 -6.562 -4.429 1.00 0.00 H new ATOM 0 HZ1 LYS A 431 -7.487 -7.561 -2.621 1.00 0.00 H new ATOM 0 HZ2 LYS A 431 -6.491 -6.365 -1.942 1.00 0.00 H new ATOM 0 HZ3 LYS A 431 -8.161 -6.094 -2.094 1.00 0.00 H new ATOM 799 N VAL A 432 -4.565 -4.350 -0.111 1.00 0.00 N ATOM 800 CA VAL A 432 -3.850 -5.388 0.646 1.00 0.00 C ATOM 801 C VAL A 432 -3.969 -6.692 -0.154 1.00 0.00 C ATOM 802 O VAL A 432 -5.050 -7.011 -0.657 1.00 0.00 O ATOM 803 CB VAL A 432 -4.440 -5.581 2.061 1.00 0.00 C ATOM 804 CG1 VAL A 432 -3.616 -6.614 2.850 1.00 0.00 C ATOM 805 CG2 VAL A 432 -4.465 -4.275 2.871 1.00 0.00 C ATOM 0 H VAL A 432 -5.577 -4.462 -0.058 1.00 0.00 H new ATOM 0 HA VAL A 432 -2.809 -5.092 0.779 1.00 0.00 H new ATOM 0 HB VAL A 432 -5.464 -5.926 1.920 1.00 0.00 H new ATOM 0 HG11 VAL A 432 -4.045 -6.738 3.844 1.00 0.00 H new ATOM 0 HG12 VAL A 432 -3.632 -7.569 2.326 1.00 0.00 H new ATOM 0 HG13 VAL A 432 -2.587 -6.267 2.939 1.00 0.00 H new ATOM 0 HG21 VAL A 432 -4.889 -4.466 3.857 1.00 0.00 H new ATOM 0 HG22 VAL A 432 -3.449 -3.895 2.980 1.00 0.00 H new ATOM 0 HG23 VAL A 432 -5.075 -3.536 2.351 1.00 0.00 H new ATOM 815 N PHE A 433 -2.867 -7.430 -0.301 1.00 0.00 N ATOM 816 CA PHE A 433 -2.834 -8.682 -1.062 1.00 0.00 C ATOM 817 C PHE A 433 -3.307 -9.868 -0.202 1.00 0.00 C ATOM 818 O PHE A 433 -3.001 -9.952 0.988 1.00 0.00 O ATOM 819 CB PHE A 433 -1.436 -8.869 -1.666 1.00 0.00 C ATOM 820 CG PHE A 433 -1.104 -7.800 -2.696 1.00 0.00 C ATOM 821 CD1 PHE A 433 -1.631 -7.888 -4.000 1.00 0.00 C ATOM 822 CD2 PHE A 433 -0.316 -6.689 -2.342 1.00 0.00 C ATOM 823 CE1 PHE A 433 -1.370 -6.872 -4.938 1.00 0.00 C ATOM 824 CE2 PHE A 433 -0.051 -5.675 -3.280 1.00 0.00 C ATOM 825 CZ PHE A 433 -0.579 -5.765 -4.579 1.00 0.00 C ATOM 0 H PHE A 433 -1.967 -7.175 0.106 1.00 0.00 H new ATOM 0 HA PHE A 433 -3.539 -8.636 -1.892 1.00 0.00 H new ATOM 0 HB2 PHE A 433 -0.692 -8.846 -0.869 1.00 0.00 H new ATOM 0 HB3 PHE A 433 -1.373 -9.852 -2.133 1.00 0.00 H new ATOM 0 HD1 PHE A 433 -2.237 -8.737 -4.280 1.00 0.00 H new ATOM 0 HD2 PHE A 433 0.088 -6.615 -1.343 1.00 0.00 H new ATOM 0 HE1 PHE A 433 -1.778 -6.942 -5.936 1.00 0.00 H new ATOM 0 HE2 PHE A 433 0.558 -4.828 -3.002 1.00 0.00 H new ATOM 0 HZ PHE A 433 -0.378 -4.986 -5.300 1.00 0.00 H new ATOM 963 N LYS A 442 -1.785 -11.188 3.329 1.00 0.00 N ATOM 964 CA LYS A 442 -0.372 -11.604 3.265 1.00 0.00 C ATOM 965 C LYS A 442 0.601 -10.701 4.063 1.00 0.00 C ATOM 966 O LYS A 442 1.818 -10.883 3.981 1.00 0.00 O ATOM 967 CB LYS A 442 0.052 -11.679 1.786 1.00 0.00 C ATOM 968 CG LYS A 442 -0.714 -12.720 0.955 1.00 0.00 C ATOM 969 CD LYS A 442 -0.136 -12.764 -0.466 1.00 0.00 C ATOM 970 CE LYS A 442 -0.846 -13.826 -1.311 1.00 0.00 C ATOM 971 NZ LYS A 442 -0.292 -13.893 -2.689 1.00 0.00 N ATOM 0 HA LYS A 442 -0.306 -12.580 3.745 1.00 0.00 H new ATOM 0 HB2 LYS A 442 -0.085 -10.698 1.332 1.00 0.00 H new ATOM 0 HB3 LYS A 442 1.117 -11.906 1.738 1.00 0.00 H new ATOM 0 HG2 LYS A 442 -0.637 -13.702 1.421 1.00 0.00 H new ATOM 0 HG3 LYS A 442 -1.773 -12.466 0.921 1.00 0.00 H new ATOM 0 HD2 LYS A 442 -0.243 -11.787 -0.937 1.00 0.00 H new ATOM 0 HD3 LYS A 442 0.931 -12.982 -0.422 1.00 0.00 H new ATOM 0 HE2 LYS A 442 -0.746 -14.799 -0.831 1.00 0.00 H new ATOM 0 HE3 LYS A 442 -1.912 -13.601 -1.358 1.00 0.00 H new ATOM 0 HZ1 LYS A 442 -0.797 -14.623 -3.231 1.00 0.00 H new ATOM 0 HZ2 LYS A 442 -0.410 -12.971 -3.156 1.00 0.00 H new ATOM 0 HZ3 LYS A 442 0.719 -14.132 -2.645 1.00 0.00 H new ATOM 985 N CYS A 443 0.077 -9.698 4.778 1.00 0.00 N ATOM 986 CA CYS A 443 0.809 -8.667 5.535 1.00 0.00 C ATOM 987 C CYS A 443 1.573 -7.667 4.639 1.00 0.00 C ATOM 988 O CYS A 443 2.471 -6.981 5.126 1.00 0.00 O ATOM 989 CB CYS A 443 1.698 -9.306 6.621 1.00 0.00 C ATOM 990 SG CYS A 443 0.693 -10.322 7.745 1.00 0.00 S ATOM 0 H CYS A 443 -0.933 -9.574 4.850 1.00 0.00 H new ATOM 0 HA CYS A 443 0.060 -8.059 6.043 1.00 0.00 H new ATOM 0 HB2 CYS A 443 2.468 -9.921 6.155 1.00 0.00 H new ATOM 0 HB3 CYS A 443 2.211 -8.527 7.185 1.00 0.00 H new ATOM 0 HG CYS A 443 0.281 -9.592 8.739 1.00 0.00 H new ATOM 996 N PHE A 444 1.212 -7.539 3.358 1.00 0.00 N ATOM 997 CA PHE A 444 1.759 -6.523 2.451 1.00 0.00 C ATOM 998 C PHE A 444 0.697 -5.985 1.479 1.00 0.00 C ATOM 999 O PHE A 444 -0.329 -6.627 1.232 1.00 0.00 O ATOM 1000 CB PHE A 444 3.029 -7.041 1.749 1.00 0.00 C ATOM 1001 CG PHE A 444 2.830 -8.120 0.701 1.00 0.00 C ATOM 1002 CD1 PHE A 444 2.540 -7.763 -0.630 1.00 0.00 C ATOM 1003 CD2 PHE A 444 2.993 -9.477 1.036 1.00 0.00 C ATOM 1004 CE1 PHE A 444 2.387 -8.756 -1.614 1.00 0.00 C ATOM 1005 CE2 PHE A 444 2.856 -10.470 0.048 1.00 0.00 C ATOM 1006 CZ PHE A 444 2.544 -10.110 -1.274 1.00 0.00 C ATOM 0 H PHE A 444 0.522 -8.146 2.915 1.00 0.00 H new ATOM 0 HA PHE A 444 2.063 -5.663 3.047 1.00 0.00 H new ATOM 0 HB2 PHE A 444 3.527 -6.194 1.277 1.00 0.00 H new ATOM 0 HB3 PHE A 444 3.707 -7.426 2.511 1.00 0.00 H new ATOM 0 HD1 PHE A 444 2.435 -6.722 -0.896 1.00 0.00 H new ATOM 0 HD2 PHE A 444 3.224 -9.757 2.053 1.00 0.00 H new ATOM 0 HE1 PHE A 444 2.149 -8.478 -2.630 1.00 0.00 H new ATOM 0 HE2 PHE A 444 2.991 -11.510 0.306 1.00 0.00 H new ATOM 0 HZ PHE A 444 2.425 -10.874 -2.028 1.00 0.00 H new ATOM 1016 N GLY A 445 0.937 -4.776 0.969 1.00 0.00 N ATOM 1017 CA GLY A 445 -0.013 -3.970 0.200 1.00 0.00 C ATOM 1018 C GLY A 445 0.634 -2.879 -0.655 1.00 0.00 C ATOM 1019 O GLY A 445 1.855 -2.797 -0.786 1.00 0.00 O ATOM 0 H GLY A 445 1.838 -4.312 1.086 1.00 0.00 H new ATOM 0 HA2 GLY A 445 -0.589 -4.630 -0.449 1.00 0.00 H new ATOM 0 HA3 GLY A 445 -0.718 -3.505 0.889 1.00 0.00 H new ATOM 1023 N PHE A 446 -0.212 -2.029 -1.232 1.00 0.00 N ATOM 1024 CA PHE A 446 0.139 -0.919 -2.119 1.00 0.00 C ATOM 1025 C PHE A 446 -0.808 0.268 -1.881 1.00 0.00 C ATOM 1026 O PHE A 446 -1.993 0.066 -1.611 1.00 0.00 O ATOM 1027 CB PHE A 446 0.075 -1.408 -3.575 1.00 0.00 C ATOM 1028 CG PHE A 446 0.262 -0.323 -4.624 1.00 0.00 C ATOM 1029 CD1 PHE A 446 1.554 0.078 -5.008 1.00 0.00 C ATOM 1030 CD2 PHE A 446 -0.859 0.294 -5.213 1.00 0.00 C ATOM 1031 CE1 PHE A 446 1.729 1.073 -5.988 1.00 0.00 C ATOM 1032 CE2 PHE A 446 -0.685 1.292 -6.189 1.00 0.00 C ATOM 1033 CZ PHE A 446 0.609 1.677 -6.587 1.00 0.00 C ATOM 0 H PHE A 446 -1.219 -2.099 -1.086 1.00 0.00 H new ATOM 0 HA PHE A 446 1.152 -0.576 -1.909 1.00 0.00 H new ATOM 0 HB2 PHE A 446 0.841 -2.170 -3.721 1.00 0.00 H new ATOM 0 HB3 PHE A 446 -0.889 -1.889 -3.739 1.00 0.00 H new ATOM 0 HD1 PHE A 446 2.417 -0.380 -4.548 1.00 0.00 H new ATOM 0 HD2 PHE A 446 -1.854 0.000 -4.915 1.00 0.00 H new ATOM 0 HE1 PHE A 446 2.724 1.373 -6.280 1.00 0.00 H new ATOM 0 HE2 PHE A 446 -1.548 1.765 -6.635 1.00 0.00 H new ATOM 0 HZ PHE A 446 0.741 2.432 -7.348 1.00 0.00 H new ATOM 1043 N VAL A 447 -0.291 1.493 -1.994 1.00 0.00 N ATOM 1044 CA VAL A 447 -1.035 2.756 -1.829 1.00 0.00 C ATOM 1045 C VAL A 447 -0.477 3.795 -2.803 1.00 0.00 C ATOM 1046 O VAL A 447 0.734 3.896 -2.963 1.00 0.00 O ATOM 1047 CB VAL A 447 -0.945 3.305 -0.380 1.00 0.00 C ATOM 1048 CG1 VAL A 447 -1.705 4.634 -0.215 1.00 0.00 C ATOM 1049 CG2 VAL A 447 -1.508 2.319 0.657 1.00 0.00 C ATOM 0 H VAL A 447 0.694 1.645 -2.211 1.00 0.00 H new ATOM 0 HA VAL A 447 -2.086 2.556 -2.039 1.00 0.00 H new ATOM 0 HB VAL A 447 0.120 3.458 -0.204 1.00 0.00 H new ATOM 0 HG11 VAL A 447 -1.614 4.980 0.815 1.00 0.00 H new ATOM 0 HG12 VAL A 447 -1.282 5.381 -0.887 1.00 0.00 H new ATOM 0 HG13 VAL A 447 -2.757 4.484 -0.456 1.00 0.00 H new ATOM 0 HG21 VAL A 447 -1.421 2.751 1.654 1.00 0.00 H new ATOM 0 HG22 VAL A 447 -2.557 2.120 0.438 1.00 0.00 H new ATOM 0 HG23 VAL A 447 -0.945 1.386 0.615 1.00 0.00 H new ATOM 1059 N SER A 448 -1.331 4.592 -3.439 1.00 0.00 N ATOM 1060 CA SER A 448 -0.924 5.645 -4.383 1.00 0.00 C ATOM 1061 C SER A 448 -1.661 6.971 -4.144 1.00 0.00 C ATOM 1062 O SER A 448 -2.782 6.989 -3.633 1.00 0.00 O ATOM 1063 CB SER A 448 -1.150 5.161 -5.820 1.00 0.00 C ATOM 1064 OG SER A 448 -2.510 4.824 -6.052 1.00 0.00 O ATOM 0 H SER A 448 -2.342 4.529 -3.316 1.00 0.00 H new ATOM 0 HA SER A 448 0.135 5.842 -4.219 1.00 0.00 H new ATOM 0 HB2 SER A 448 -0.843 5.939 -6.519 1.00 0.00 H new ATOM 0 HB3 SER A 448 -0.521 4.292 -6.015 1.00 0.00 H new ATOM 0 HG SER A 448 -2.563 4.142 -6.754 1.00 0.00 H new ATOM 1070 N TYR A 449 -1.041 8.093 -4.520 1.00 0.00 N ATOM 1071 CA TYR A 449 -1.517 9.453 -4.231 1.00 0.00 C ATOM 1072 C TYR A 449 -1.596 10.367 -5.463 1.00 0.00 C ATOM 1073 O TYR A 449 -1.036 10.084 -6.522 1.00 0.00 O ATOM 1074 CB TYR A 449 -0.592 10.104 -3.195 1.00 0.00 C ATOM 1075 CG TYR A 449 -0.730 9.568 -1.790 1.00 0.00 C ATOM 1076 CD1 TYR A 449 0.039 8.466 -1.371 1.00 0.00 C ATOM 1077 CD2 TYR A 449 -1.632 10.183 -0.901 1.00 0.00 C ATOM 1078 CE1 TYR A 449 -0.061 8.010 -0.046 1.00 0.00 C ATOM 1079 CE2 TYR A 449 -1.742 9.725 0.422 1.00 0.00 C ATOM 1080 CZ TYR A 449 -0.944 8.645 0.852 1.00 0.00 C ATOM 1081 OH TYR A 449 -1.033 8.197 2.127 1.00 0.00 O ATOM 0 H TYR A 449 -0.169 8.082 -5.049 1.00 0.00 H new ATOM 0 HA TYR A 449 -2.534 9.344 -3.855 1.00 0.00 H new ATOM 0 HB2 TYR A 449 0.441 9.972 -3.518 1.00 0.00 H new ATOM 0 HB3 TYR A 449 -0.787 11.176 -3.179 1.00 0.00 H new ATOM 0 HD1 TYR A 449 0.703 7.973 -2.065 1.00 0.00 H new ATOM 0 HD2 TYR A 449 -2.241 11.009 -1.237 1.00 0.00 H new ATOM 0 HE1 TYR A 449 0.538 7.174 0.285 1.00 0.00 H new ATOM 0 HE2 TYR A 449 -2.433 10.197 1.105 1.00 0.00 H new ATOM 0 HH TYR A 449 -1.896 8.463 2.508 1.00 0.00 H new ATOM 1091 N ASP A 450 -2.260 11.511 -5.288 1.00 0.00 N ATOM 1092 CA ASP A 450 -2.344 12.603 -6.261 1.00 0.00 C ATOM 1093 C ASP A 450 -1.013 13.341 -6.515 1.00 0.00 C ATOM 1094 O ASP A 450 -0.849 13.951 -7.571 1.00 0.00 O ATOM 1095 CB ASP A 450 -3.439 13.584 -5.804 1.00 0.00 C ATOM 1096 CG ASP A 450 -3.115 14.420 -4.545 1.00 0.00 C ATOM 1097 OD1 ASP A 450 -2.303 13.999 -3.687 1.00 0.00 O ATOM 1098 OD2 ASP A 450 -3.732 15.500 -4.396 1.00 0.00 O ATOM 0 H ASP A 450 -2.775 11.711 -4.430 1.00 0.00 H new ATOM 0 HA ASP A 450 -2.596 12.156 -7.223 1.00 0.00 H new ATOM 0 HB2 ASP A 450 -3.652 14.268 -6.625 1.00 0.00 H new ATOM 0 HB3 ASP A 450 -4.351 13.018 -5.615 1.00 0.00 H new ATOM 1103 N ASN A 451 -0.057 13.260 -5.580 1.00 0.00 N ATOM 1104 CA ASN A 451 1.235 13.957 -5.618 1.00 0.00 C ATOM 1105 C ASN A 451 2.329 13.189 -4.839 1.00 0.00 C ATOM 1106 O ASN A 451 2.008 12.461 -3.892 1.00 0.00 O ATOM 1107 CB ASN A 451 1.094 15.367 -5.011 1.00 0.00 C ATOM 1108 CG ASN A 451 0.233 16.321 -5.830 1.00 0.00 C ATOM 1109 OD1 ASN A 451 0.632 16.795 -6.888 1.00 0.00 O ATOM 1110 ND2 ASN A 451 -0.945 16.662 -5.342 1.00 0.00 N ATOM 0 H ASN A 451 -0.167 12.685 -4.745 1.00 0.00 H new ATOM 0 HA ASN A 451 1.534 14.021 -6.664 1.00 0.00 H new ATOM 0 HB2 ASN A 451 0.667 15.278 -4.012 1.00 0.00 H new ATOM 0 HB3 ASN A 451 2.087 15.801 -4.896 1.00 0.00 H new ATOM 0 HD21 ASN A 451 -1.533 17.326 -5.846 1.00 0.00 H new ATOM 0 HD22 ASN A 451 -1.267 16.262 -4.461 1.00 0.00 H new ATOM 1117 N PRO A 452 3.626 13.406 -5.158 1.00 0.00 N ATOM 1118 CA PRO A 452 4.751 12.833 -4.416 1.00 0.00 C ATOM 1119 C PRO A 452 4.832 13.316 -2.964 1.00 0.00 C ATOM 1120 O PRO A 452 5.295 12.581 -2.102 1.00 0.00 O ATOM 1121 CB PRO A 452 6.022 13.242 -5.173 1.00 0.00 C ATOM 1122 CG PRO A 452 5.532 13.717 -6.537 1.00 0.00 C ATOM 1123 CD PRO A 452 4.120 14.216 -6.263 1.00 0.00 C ATOM 0 HA PRO A 452 4.626 11.752 -4.358 1.00 0.00 H new ATOM 0 HB2 PRO A 452 6.557 14.033 -4.648 1.00 0.00 H new ATOM 0 HB3 PRO A 452 6.711 12.403 -5.271 1.00 0.00 H new ATOM 0 HG2 PRO A 452 6.166 14.509 -6.936 1.00 0.00 H new ATOM 0 HG3 PRO A 452 5.536 12.908 -7.267 1.00 0.00 H new ATOM 0 HD2 PRO A 452 4.122 15.275 -6.003 1.00 0.00 H new ATOM 0 HD3 PRO A 452 3.487 14.105 -7.144 1.00 0.00 H new ATOM 1131 N VAL A 453 4.371 14.538 -2.677 1.00 0.00 N ATOM 1132 CA VAL A 453 4.434 15.150 -1.335 1.00 0.00 C ATOM 1133 C VAL A 453 3.385 14.528 -0.400 1.00 0.00 C ATOM 1134 O VAL A 453 3.698 14.221 0.749 1.00 0.00 O ATOM 1135 CB VAL A 453 4.281 16.689 -1.410 1.00 0.00 C ATOM 1136 CG1 VAL A 453 4.377 17.351 -0.024 1.00 0.00 C ATOM 1137 CG2 VAL A 453 5.358 17.302 -2.327 1.00 0.00 C ATOM 0 H VAL A 453 3.937 15.142 -3.375 1.00 0.00 H new ATOM 0 HA VAL A 453 5.419 14.941 -0.918 1.00 0.00 H new ATOM 0 HB VAL A 453 3.289 16.881 -1.819 1.00 0.00 H new ATOM 0 HG11 VAL A 453 4.264 18.430 -0.128 1.00 0.00 H new ATOM 0 HG12 VAL A 453 3.587 16.964 0.620 1.00 0.00 H new ATOM 0 HG13 VAL A 453 5.348 17.129 0.419 1.00 0.00 H new ATOM 0 HG21 VAL A 453 5.231 18.384 -2.365 1.00 0.00 H new ATOM 0 HG22 VAL A 453 6.347 17.066 -1.935 1.00 0.00 H new ATOM 0 HG23 VAL A 453 5.258 16.890 -3.331 1.00 0.00 H new ATOM 1147 N SER A 454 2.177 14.249 -0.905 1.00 0.00 N ATOM 1148 CA SER A 454 1.139 13.484 -0.190 1.00 0.00 C ATOM 1149 C SER A 454 1.632 12.076 0.188 1.00 0.00 C ATOM 1150 O SER A 454 1.330 11.559 1.264 1.00 0.00 O ATOM 1151 CB SER A 454 -0.093 13.333 -1.096 1.00 0.00 C ATOM 1152 OG SER A 454 -0.554 14.570 -1.620 1.00 0.00 O ATOM 0 H SER A 454 1.886 14.551 -1.835 1.00 0.00 H new ATOM 0 HA SER A 454 0.894 14.028 0.722 1.00 0.00 H new ATOM 0 HB2 SER A 454 0.150 12.664 -1.921 1.00 0.00 H new ATOM 0 HB3 SER A 454 -0.897 12.863 -0.530 1.00 0.00 H new ATOM 0 HG SER A 454 -1.176 14.401 -2.358 1.00 0.00 H new ATOM 1158 N ALA A 455 2.446 11.479 -0.689 1.00 0.00 N ATOM 1159 CA ALA A 455 3.033 10.156 -0.525 1.00 0.00 C ATOM 1160 C ALA A 455 4.217 10.153 0.456 1.00 0.00 C ATOM 1161 O ALA A 455 4.243 9.352 1.388 1.00 0.00 O ATOM 1162 CB ALA A 455 3.418 9.688 -1.931 1.00 0.00 C ATOM 0 H ALA A 455 2.721 11.926 -1.564 1.00 0.00 H new ATOM 0 HA ALA A 455 2.321 9.465 -0.073 1.00 0.00 H new ATOM 0 HB1 ALA A 455 3.866 8.696 -1.874 1.00 0.00 H new ATOM 0 HB2 ALA A 455 2.527 9.648 -2.558 1.00 0.00 H new ATOM 0 HB3 ALA A 455 4.135 10.386 -2.363 1.00 0.00 H new ATOM 1168 N GLN A 456 5.166 11.081 0.307 1.00 0.00 N ATOM 1169 CA GLN A 456 6.323 11.233 1.199 1.00 0.00 C ATOM 1170 C GLN A 456 5.910 11.548 2.642 1.00 0.00 C ATOM 1171 O GLN A 456 6.570 11.094 3.578 1.00 0.00 O ATOM 1172 CB GLN A 456 7.248 12.338 0.655 1.00 0.00 C ATOM 1173 CG GLN A 456 8.112 11.881 -0.536 1.00 0.00 C ATOM 1174 CD GLN A 456 9.276 10.958 -0.153 1.00 0.00 C ATOM 1175 OE1 GLN A 456 9.482 10.582 0.995 1.00 0.00 O ATOM 1176 NE2 GLN A 456 10.094 10.558 -1.104 1.00 0.00 N ATOM 0 H GLN A 456 5.153 11.762 -0.452 1.00 0.00 H new ATOM 0 HA GLN A 456 6.853 10.281 1.222 1.00 0.00 H new ATOM 0 HB2 GLN A 456 6.642 13.191 0.349 1.00 0.00 H new ATOM 0 HB3 GLN A 456 7.901 12.683 1.457 1.00 0.00 H new ATOM 0 HG2 GLN A 456 7.476 11.365 -1.255 1.00 0.00 H new ATOM 0 HG3 GLN A 456 8.512 12.761 -1.039 1.00 0.00 H new ATOM 0 HE21 GLN A 456 9.942 10.858 -2.067 1.00 0.00 H new ATOM 0 HE22 GLN A 456 10.879 9.948 -0.878 1.00 0.00 H new ATOM 1185 N ALA A 457 4.799 12.265 2.845 1.00 0.00 N ATOM 1186 CA ALA A 457 4.222 12.495 4.170 1.00 0.00 C ATOM 1187 C ALA A 457 3.760 11.192 4.850 1.00 0.00 C ATOM 1188 O ALA A 457 3.860 11.076 6.072 1.00 0.00 O ATOM 1189 CB ALA A 457 3.070 13.496 4.023 1.00 0.00 C ATOM 0 H ALA A 457 4.273 12.704 2.089 1.00 0.00 H new ATOM 0 HA ALA A 457 4.991 12.905 4.825 1.00 0.00 H new ATOM 0 HB1 ALA A 457 2.624 13.683 5.000 1.00 0.00 H new ATOM 0 HB2 ALA A 457 3.451 14.431 3.613 1.00 0.00 H new ATOM 0 HB3 ALA A 457 2.315 13.086 3.352 1.00 0.00 H new ATOM 1195 N ALA A 458 3.322 10.190 4.075 1.00 0.00 N ATOM 1196 CA ALA A 458 2.964 8.871 4.588 1.00 0.00 C ATOM 1197 C ALA A 458 4.205 8.018 4.886 1.00 0.00 C ATOM 1198 O ALA A 458 4.271 7.415 5.955 1.00 0.00 O ATOM 1199 CB ALA A 458 2.028 8.186 3.590 1.00 0.00 C ATOM 0 H ALA A 458 3.207 10.279 3.065 1.00 0.00 H new ATOM 0 HA ALA A 458 2.445 8.988 5.539 1.00 0.00 H new ATOM 0 HB1 ALA A 458 1.755 7.200 3.965 1.00 0.00 H new ATOM 0 HB2 ALA A 458 1.128 8.788 3.463 1.00 0.00 H new ATOM 0 HB3 ALA A 458 2.533 8.082 2.630 1.00 0.00 H new ATOM 1205 N ILE A 459 5.222 8.016 4.010 1.00 0.00 N ATOM 1206 CA ILE A 459 6.485 7.278 4.257 1.00 0.00 C ATOM 1207 C ILE A 459 7.136 7.761 5.561 1.00 0.00 C ATOM 1208 O ILE A 459 7.499 6.948 6.408 1.00 0.00 O ATOM 1209 CB ILE A 459 7.491 7.381 3.081 1.00 0.00 C ATOM 1210 CG1 ILE A 459 6.843 7.043 1.723 1.00 0.00 C ATOM 1211 CG2 ILE A 459 8.688 6.437 3.332 1.00 0.00 C ATOM 1212 CD1 ILE A 459 7.799 7.210 0.539 1.00 0.00 C ATOM 0 H ILE A 459 5.201 8.516 3.121 1.00 0.00 H new ATOM 0 HA ILE A 459 6.220 6.225 4.347 1.00 0.00 H new ATOM 0 HB ILE A 459 7.830 8.416 3.035 1.00 0.00 H new ATOM 0 HG12 ILE A 459 6.481 6.015 1.747 1.00 0.00 H new ATOM 0 HG13 ILE A 459 5.974 7.684 1.573 1.00 0.00 H new ATOM 0 HG21 ILE A 459 9.392 6.513 2.503 1.00 0.00 H new ATOM 0 HG22 ILE A 459 9.187 6.721 4.259 1.00 0.00 H new ATOM 0 HG23 ILE A 459 8.331 5.410 3.412 1.00 0.00 H new ATOM 0 HD11 ILE A 459 7.281 6.956 -0.386 1.00 0.00 H new ATOM 0 HD12 ILE A 459 8.142 8.244 0.491 1.00 0.00 H new ATOM 0 HD13 ILE A 459 8.656 6.549 0.667 1.00 0.00 H new ATOM 1224 N GLN A 460 7.218 9.079 5.753 1.00 0.00 N ATOM 1225 CA GLN A 460 7.841 9.695 6.931 1.00 0.00 C ATOM 1226 C GLN A 460 7.005 9.546 8.218 1.00 0.00 C ATOM 1227 O GLN A 460 7.528 9.776 9.309 1.00 0.00 O ATOM 1228 CB GLN A 460 8.117 11.179 6.635 1.00 0.00 C ATOM 1229 CG GLN A 460 9.212 11.377 5.572 1.00 0.00 C ATOM 1230 CD GLN A 460 9.298 12.837 5.129 1.00 0.00 C ATOM 1231 OE1 GLN A 460 10.171 13.598 5.534 1.00 0.00 O ATOM 1232 NE2 GLN A 460 8.384 13.283 4.293 1.00 0.00 N ATOM 0 H GLN A 460 6.850 9.759 5.088 1.00 0.00 H new ATOM 0 HA GLN A 460 8.774 9.164 7.121 1.00 0.00 H new ATOM 0 HB2 GLN A 460 7.197 11.655 6.296 1.00 0.00 H new ATOM 0 HB3 GLN A 460 8.415 11.680 7.556 1.00 0.00 H new ATOM 0 HG2 GLN A 460 10.174 11.059 5.974 1.00 0.00 H new ATOM 0 HG3 GLN A 460 9.003 10.745 4.709 1.00 0.00 H new ATOM 0 HE21 GLN A 460 7.655 12.656 3.952 1.00 0.00 H new ATOM 0 HE22 GLN A 460 8.405 14.256 3.986 1.00 0.00 H new ATOM 1241 N SER A 461 5.736 9.137 8.124 1.00 0.00 N ATOM 1242 CA SER A 461 4.854 8.931 9.286 1.00 0.00 C ATOM 1243 C SER A 461 4.648 7.450 9.647 1.00 0.00 C ATOM 1244 O SER A 461 4.470 7.131 10.826 1.00 0.00 O ATOM 1245 CB SER A 461 3.481 9.571 9.029 1.00 0.00 C ATOM 1246 OG SER A 461 3.580 10.975 8.835 1.00 0.00 O ATOM 0 H SER A 461 5.284 8.937 7.232 1.00 0.00 H new ATOM 0 HA SER A 461 5.355 9.406 10.129 1.00 0.00 H new ATOM 0 HB2 SER A 461 3.026 9.114 8.150 1.00 0.00 H new ATOM 0 HB3 SER A 461 2.821 9.366 9.872 1.00 0.00 H new ATOM 0 HG SER A 461 3.688 11.166 7.880 1.00 0.00 H new ATOM 1252 N MET A 462 4.695 6.543 8.660 1.00 0.00 N ATOM 1253 CA MET A 462 4.292 5.137 8.816 1.00 0.00 C ATOM 1254 C MET A 462 5.434 4.126 8.705 1.00 0.00 C ATOM 1255 O MET A 462 5.290 3.000 9.179 1.00 0.00 O ATOM 1256 CB MET A 462 3.200 4.796 7.791 1.00 0.00 C ATOM 1257 CG MET A 462 1.968 5.707 7.892 1.00 0.00 C ATOM 1258 SD MET A 462 1.277 5.951 9.556 1.00 0.00 S ATOM 1259 CE MET A 462 0.680 4.288 9.913 1.00 0.00 C ATOM 0 H MET A 462 5.018 6.768 7.719 1.00 0.00 H new ATOM 0 HA MET A 462 3.918 5.049 9.836 1.00 0.00 H new ATOM 0 HB2 MET A 462 3.617 4.871 6.787 1.00 0.00 H new ATOM 0 HB3 MET A 462 2.890 3.760 7.931 1.00 0.00 H new ATOM 0 HG2 MET A 462 2.231 6.683 7.485 1.00 0.00 H new ATOM 0 HG3 MET A 462 1.186 5.296 7.254 1.00 0.00 H new ATOM 0 HE1 MET A 462 -0.078 4.334 10.695 1.00 0.00 H new ATOM 0 HE2 MET A 462 0.246 3.856 9.011 1.00 0.00 H new ATOM 0 HE3 MET A 462 1.511 3.668 10.249 1.00 0.00 H new ATOM 1269 N ASN A 463 6.581 4.486 8.124 1.00 0.00 N ATOM 1270 CA ASN A 463 7.727 3.581 8.047 1.00 0.00 C ATOM 1271 C ASN A 463 8.349 3.375 9.447 1.00 0.00 C ATOM 1272 O ASN A 463 8.897 4.307 10.038 1.00 0.00 O ATOM 1273 CB ASN A 463 8.724 4.127 7.017 1.00 0.00 C ATOM 1274 CG ASN A 463 9.827 3.122 6.723 1.00 0.00 C ATOM 1275 OD1 ASN A 463 9.554 2.019 6.263 1.00 0.00 O ATOM 1276 ND2 ASN A 463 11.076 3.452 6.981 1.00 0.00 N ATOM 0 H ASN A 463 6.739 5.400 7.700 1.00 0.00 H new ATOM 0 HA ASN A 463 7.412 2.593 7.710 1.00 0.00 H new ATOM 0 HB2 ASN A 463 8.198 4.372 6.094 1.00 0.00 H new ATOM 0 HB3 ASN A 463 9.163 5.053 7.389 1.00 0.00 H new ATOM 0 HD21 ASN A 463 11.827 2.787 6.798 1.00 0.00 H new ATOM 0 HD22 ASN A 463 11.292 4.373 7.364 1.00 0.00 H new ATOM 1283 N GLY A 464 8.227 2.156 9.988 1.00 0.00 N ATOM 1284 CA GLY A 464 8.623 1.778 11.355 1.00 0.00 C ATOM 1285 C GLY A 464 7.508 1.893 12.404 1.00 0.00 C ATOM 1286 O GLY A 464 7.768 1.618 13.577 1.00 0.00 O ATOM 0 H GLY A 464 7.834 1.373 9.466 1.00 0.00 H new ATOM 0 HA2 GLY A 464 8.985 0.750 11.342 1.00 0.00 H new ATOM 0 HA3 GLY A 464 9.458 2.407 11.663 1.00 0.00 H new ATOM 1290 N PHE A 465 6.284 2.279 12.019 1.00 0.00 N ATOM 1291 CA PHE A 465 5.137 2.460 12.921 1.00 0.00 C ATOM 1292 C PHE A 465 4.765 1.152 13.633 1.00 0.00 C ATOM 1293 O PHE A 465 4.526 0.138 12.978 1.00 0.00 O ATOM 1294 CB PHE A 465 3.954 2.997 12.102 1.00 0.00 C ATOM 1295 CG PHE A 465 2.677 3.259 12.878 1.00 0.00 C ATOM 1296 CD1 PHE A 465 2.457 4.528 13.447 1.00 0.00 C ATOM 1297 CD2 PHE A 465 1.690 2.258 13.006 1.00 0.00 C ATOM 1298 CE1 PHE A 465 1.263 4.796 14.141 1.00 0.00 C ATOM 1299 CE2 PHE A 465 0.496 2.529 13.698 1.00 0.00 C ATOM 1300 CZ PHE A 465 0.283 3.797 14.266 1.00 0.00 C ATOM 0 H PHE A 465 6.058 2.480 11.045 1.00 0.00 H new ATOM 0 HA PHE A 465 5.402 3.174 13.701 1.00 0.00 H new ATOM 0 HB2 PHE A 465 4.261 3.926 11.621 1.00 0.00 H new ATOM 0 HB3 PHE A 465 3.734 2.284 11.307 1.00 0.00 H new ATOM 0 HD1 PHE A 465 3.208 5.298 13.350 1.00 0.00 H new ATOM 0 HD2 PHE A 465 1.852 1.282 12.572 1.00 0.00 H new ATOM 0 HE1 PHE A 465 1.100 5.770 14.578 1.00 0.00 H new ATOM 0 HE2 PHE A 465 -0.258 1.762 13.793 1.00 0.00 H new ATOM 0 HZ PHE A 465 -0.634 4.003 14.798 1.00 0.00 H new ATOM 1310 N GLN A 466 4.722 1.169 14.967 1.00 0.00 N ATOM 1311 CA GLN A 466 4.438 -0.013 15.784 1.00 0.00 C ATOM 1312 C GLN A 466 2.927 -0.275 15.829 1.00 0.00 C ATOM 1313 O GLN A 466 2.139 0.614 16.158 1.00 0.00 O ATOM 1314 CB GLN A 466 5.062 0.178 17.179 1.00 0.00 C ATOM 1315 CG GLN A 466 5.334 -1.133 17.941 1.00 0.00 C ATOM 1316 CD GLN A 466 4.086 -1.825 18.498 1.00 0.00 C ATOM 1317 OE1 GLN A 466 3.413 -1.332 19.396 1.00 0.00 O ATOM 1318 NE2 GLN A 466 3.747 -3.002 18.016 1.00 0.00 N ATOM 0 H GLN A 466 4.885 2.013 15.516 1.00 0.00 H new ATOM 0 HA GLN A 466 4.889 -0.902 15.343 1.00 0.00 H new ATOM 0 HB2 GLN A 466 6.000 0.723 17.072 1.00 0.00 H new ATOM 0 HB3 GLN A 466 4.398 0.801 17.778 1.00 0.00 H new ATOM 0 HG2 GLN A 466 5.848 -1.825 17.273 1.00 0.00 H new ATOM 0 HG3 GLN A 466 6.014 -0.922 18.766 1.00 0.00 H new ATOM 0 HE21 GLN A 466 4.297 -3.425 17.269 1.00 0.00 H new ATOM 0 HE22 GLN A 466 2.934 -3.491 18.390 1.00 0.00 H new ATOM 1327 N ILE A 467 2.521 -1.504 15.502 1.00 0.00 N ATOM 1328 CA ILE A 467 1.120 -1.930 15.411 1.00 0.00 C ATOM 1329 C ILE A 467 1.002 -3.411 15.790 1.00 0.00 C ATOM 1330 O ILE A 467 1.814 -4.232 15.357 1.00 0.00 O ATOM 1331 CB ILE A 467 0.566 -1.595 14.003 1.00 0.00 C ATOM 1332 CG1 ILE A 467 -0.972 -1.703 13.998 1.00 0.00 C ATOM 1333 CG2 ILE A 467 1.213 -2.437 12.886 1.00 0.00 C ATOM 1334 CD1 ILE A 467 -1.631 -1.206 12.705 1.00 0.00 C ATOM 0 H ILE A 467 3.177 -2.254 15.286 1.00 0.00 H new ATOM 0 HA ILE A 467 0.501 -1.384 16.123 1.00 0.00 H new ATOM 0 HB ILE A 467 0.839 -0.564 13.779 1.00 0.00 H new ATOM 0 HG12 ILE A 467 -1.253 -2.744 14.159 1.00 0.00 H new ATOM 0 HG13 ILE A 467 -1.368 -1.132 14.838 1.00 0.00 H new ATOM 0 HG21 ILE A 467 0.784 -2.157 11.924 1.00 0.00 H new ATOM 0 HG22 ILE A 467 2.288 -2.256 12.870 1.00 0.00 H new ATOM 0 HG23 ILE A 467 1.025 -3.494 13.072 1.00 0.00 H new ATOM 0 HD11 ILE A 467 -2.713 -1.316 12.782 1.00 0.00 H new ATOM 0 HD12 ILE A 467 -1.383 -0.156 12.551 1.00 0.00 H new ATOM 0 HD13 ILE A 467 -1.266 -1.793 11.862 1.00 0.00 H new ATOM 1392 N ARG A 471 6.078 -3.998 13.559 1.00 0.00 N ATOM 1393 CA ARG A 471 6.296 -2.653 12.994 1.00 0.00 C ATOM 1394 C ARG A 471 6.148 -2.669 11.469 1.00 0.00 C ATOM 1395 O ARG A 471 6.673 -3.569 10.811 1.00 0.00 O ATOM 1396 CB ARG A 471 7.690 -2.105 13.360 1.00 0.00 C ATOM 1397 CG ARG A 471 7.828 -1.722 14.839 1.00 0.00 C ATOM 1398 CD ARG A 471 9.224 -1.163 15.133 1.00 0.00 C ATOM 1399 NE ARG A 471 9.349 -0.750 16.543 1.00 0.00 N ATOM 1400 CZ ARG A 471 9.097 0.451 17.053 1.00 0.00 C ATOM 1401 NH1 ARG A 471 8.651 1.453 16.324 1.00 0.00 N ATOM 1402 NH2 ARG A 471 9.292 0.661 18.336 1.00 0.00 N ATOM 0 HA ARG A 471 5.537 -2.001 13.425 1.00 0.00 H new ATOM 0 HB2 ARG A 471 8.442 -2.855 13.115 1.00 0.00 H new ATOM 0 HB3 ARG A 471 7.901 -1.230 12.745 1.00 0.00 H new ATOM 0 HG2 ARG A 471 7.073 -0.980 15.098 1.00 0.00 H new ATOM 0 HG3 ARG A 471 7.643 -2.596 15.464 1.00 0.00 H new ATOM 0 HD2 ARG A 471 9.976 -1.918 14.905 1.00 0.00 H new ATOM 0 HD3 ARG A 471 9.421 -0.310 14.483 1.00 0.00 H new ATOM 0 HE ARG A 471 9.664 -1.465 17.199 1.00 0.00 H new ATOM 0 HH11 ARG A 471 8.486 1.323 15.326 1.00 0.00 H new ATOM 0 HH12 ARG A 471 8.471 2.359 16.758 1.00 0.00 H new ATOM 0 HH21 ARG A 471 9.634 -0.094 18.930 1.00 0.00 H new ATOM 0 HH22 ARG A 471 9.102 1.579 18.737 1.00 0.00 H new ATOM 1416 N LEU A 472 5.460 -1.668 10.914 1.00 0.00 N ATOM 1417 CA LEU A 472 5.275 -1.466 9.471 1.00 0.00 C ATOM 1418 C LEU A 472 6.583 -1.087 8.758 1.00 0.00 C ATOM 1419 O LEU A 472 7.518 -0.572 9.370 1.00 0.00 O ATOM 1420 CB LEU A 472 4.249 -0.336 9.231 1.00 0.00 C ATOM 1421 CG LEU A 472 2.833 -0.523 9.804 1.00 0.00 C ATOM 1422 CD1 LEU A 472 1.936 0.624 9.322 1.00 0.00 C ATOM 1423 CD2 LEU A 472 2.218 -1.860 9.386 1.00 0.00 C ATOM 0 H LEU A 472 5.000 -0.950 11.474 1.00 0.00 H new ATOM 0 HA LEU A 472 4.923 -2.413 9.062 1.00 0.00 H new ATOM 0 HB2 LEU A 472 4.660 0.584 9.646 1.00 0.00 H new ATOM 0 HB3 LEU A 472 4.159 -0.188 8.155 1.00 0.00 H new ATOM 0 HG LEU A 472 2.909 -0.518 10.891 1.00 0.00 H new ATOM 0 HD11 LEU A 472 0.932 0.495 9.726 1.00 0.00 H new ATOM 0 HD12 LEU A 472 2.345 1.574 9.664 1.00 0.00 H new ATOM 0 HD13 LEU A 472 1.892 0.619 8.233 1.00 0.00 H new ATOM 0 HD21 LEU A 472 1.219 -1.950 9.813 1.00 0.00 H new ATOM 0 HD22 LEU A 472 2.154 -1.907 8.299 1.00 0.00 H new ATOM 0 HD23 LEU A 472 2.842 -2.677 9.748 1.00 0.00 H new ATOM 1435 N LYS A 473 6.605 -1.252 7.436 1.00 0.00 N ATOM 1436 CA LYS A 473 7.634 -0.733 6.525 1.00 0.00 C ATOM 1437 C LYS A 473 6.953 -0.162 5.265 1.00 0.00 C ATOM 1438 O LYS A 473 5.956 -0.715 4.802 1.00 0.00 O ATOM 1439 CB LYS A 473 8.654 -1.846 6.209 1.00 0.00 C ATOM 1440 CG LYS A 473 9.796 -1.376 5.287 1.00 0.00 C ATOM 1441 CD LYS A 473 10.796 -2.485 4.931 1.00 0.00 C ATOM 1442 CE LYS A 473 11.557 -2.995 6.163 1.00 0.00 C ATOM 1443 NZ LYS A 473 12.664 -3.916 5.786 1.00 0.00 N ATOM 0 H LYS A 473 5.877 -1.772 6.946 1.00 0.00 H new ATOM 0 HA LYS A 473 8.190 0.081 6.990 1.00 0.00 H new ATOM 0 HB2 LYS A 473 9.078 -2.218 7.142 1.00 0.00 H new ATOM 0 HB3 LYS A 473 8.136 -2.682 5.739 1.00 0.00 H new ATOM 0 HG2 LYS A 473 9.368 -0.976 4.368 1.00 0.00 H new ATOM 0 HG3 LYS A 473 10.330 -0.559 5.772 1.00 0.00 H new ATOM 0 HD2 LYS A 473 10.265 -3.315 4.464 1.00 0.00 H new ATOM 0 HD3 LYS A 473 11.508 -2.108 4.196 1.00 0.00 H new ATOM 0 HE2 LYS A 473 11.962 -2.148 6.717 1.00 0.00 H new ATOM 0 HE3 LYS A 473 10.866 -3.511 6.830 1.00 0.00 H new ATOM 0 HZ1 LYS A 473 13.154 -4.239 6.644 1.00 0.00 H new ATOM 0 HZ2 LYS A 473 12.275 -4.737 5.279 1.00 0.00 H new ATOM 0 HZ3 LYS A 473 13.337 -3.416 5.170 1.00 0.00 H new ATOM 1457 N VAL A 474 7.463 0.939 4.714 1.00 0.00 N ATOM 1458 CA VAL A 474 6.891 1.632 3.547 1.00 0.00 C ATOM 1459 C VAL A 474 8.030 2.081 2.625 1.00 0.00 C ATOM 1460 O VAL A 474 9.009 2.652 3.103 1.00 0.00 O ATOM 1461 CB VAL A 474 6.052 2.864 3.971 1.00 0.00 C ATOM 1462 CG1 VAL A 474 5.358 3.471 2.746 1.00 0.00 C ATOM 1463 CG2 VAL A 474 4.987 2.531 5.028 1.00 0.00 C ATOM 0 H VAL A 474 8.306 1.389 5.071 1.00 0.00 H new ATOM 0 HA VAL A 474 6.229 0.940 3.026 1.00 0.00 H new ATOM 0 HB VAL A 474 6.749 3.575 4.415 1.00 0.00 H new ATOM 0 HG11 VAL A 474 4.770 4.336 3.052 1.00 0.00 H new ATOM 0 HG12 VAL A 474 6.109 3.781 2.019 1.00 0.00 H new ATOM 0 HG13 VAL A 474 4.701 2.728 2.295 1.00 0.00 H new ATOM 0 HG21 VAL A 474 4.433 3.434 5.283 1.00 0.00 H new ATOM 0 HG22 VAL A 474 4.300 1.784 4.630 1.00 0.00 H new ATOM 0 HG23 VAL A 474 5.472 2.138 5.922 1.00 0.00 H new ATOM 1473 N GLN A 475 7.907 1.833 1.318 1.00 0.00 N ATOM 1474 CA GLN A 475 8.923 2.176 0.313 1.00 0.00 C ATOM 1475 C GLN A 475 8.280 2.656 -0.995 1.00 0.00 C ATOM 1476 O GLN A 475 7.175 2.244 -1.347 1.00 0.00 O ATOM 1477 CB GLN A 475 9.825 0.958 0.030 1.00 0.00 C ATOM 1478 CG GLN A 475 10.733 0.586 1.212 1.00 0.00 C ATOM 1479 CD GLN A 475 11.617 -0.623 0.902 1.00 0.00 C ATOM 1480 OE1 GLN A 475 11.316 -1.757 1.258 1.00 0.00 O ATOM 1481 NE2 GLN A 475 12.741 -0.440 0.236 1.00 0.00 N ATOM 0 H GLN A 475 7.085 1.380 0.919 1.00 0.00 H new ATOM 0 HA GLN A 475 9.525 2.990 0.716 1.00 0.00 H new ATOM 0 HB2 GLN A 475 9.199 0.102 -0.222 1.00 0.00 H new ATOM 0 HB3 GLN A 475 10.444 1.168 -0.842 1.00 0.00 H new ATOM 0 HG2 GLN A 475 11.362 1.439 1.467 1.00 0.00 H new ATOM 0 HG3 GLN A 475 10.119 0.370 2.086 1.00 0.00 H new ATOM 0 HE21 GLN A 475 13.007 0.497 -0.068 1.00 0.00 H new ATOM 0 HE22 GLN A 475 13.344 -1.235 0.025 1.00 0.00 H new ATOM 1490 N LEU A 476 8.996 3.508 -1.737 1.00 0.00 N ATOM 1491 CA LEU A 476 8.611 3.939 -3.090 1.00 0.00 C ATOM 1492 C LEU A 476 8.648 2.799 -4.121 1.00 0.00 C ATOM 1493 O LEU A 476 9.452 1.867 -4.035 1.00 0.00 O ATOM 1494 CB LEU A 476 9.546 5.068 -3.576 1.00 0.00 C ATOM 1495 CG LEU A 476 9.361 6.443 -2.911 1.00 0.00 C ATOM 1496 CD1 LEU A 476 10.388 7.412 -3.511 1.00 0.00 C ATOM 1497 CD2 LEU A 476 7.955 7.011 -3.147 1.00 0.00 C ATOM 0 H LEU A 476 9.869 3.924 -1.413 1.00 0.00 H new ATOM 0 HA LEU A 476 7.582 4.289 -3.014 1.00 0.00 H new ATOM 0 HB2 LEU A 476 10.577 4.749 -3.420 1.00 0.00 H new ATOM 0 HB3 LEU A 476 9.408 5.187 -4.651 1.00 0.00 H new ATOM 0 HG LEU A 476 9.500 6.324 -1.836 1.00 0.00 H new ATOM 0 HD11 LEU A 476 10.273 8.394 -3.052 1.00 0.00 H new ATOM 0 HD12 LEU A 476 11.394 7.039 -3.322 1.00 0.00 H new ATOM 0 HD13 LEU A 476 10.227 7.493 -4.586 1.00 0.00 H new ATOM 0 HD21 LEU A 476 7.869 7.982 -2.660 1.00 0.00 H new ATOM 0 HD22 LEU A 476 7.784 7.125 -4.217 1.00 0.00 H new ATOM 0 HD23 LEU A 476 7.213 6.330 -2.731 1.00 0.00 H new ATOM 1509 N LYS A 477 7.820 2.933 -5.161 1.00 0.00 N ATOM 1510 CA LYS A 477 7.853 2.093 -6.365 1.00 0.00 C ATOM 1511 C LYS A 477 9.147 2.322 -7.182 1.00 0.00 C ATOM 1512 O LYS A 477 9.590 3.463 -7.345 1.00 0.00 O ATOM 1513 CB LYS A 477 6.581 2.382 -7.190 1.00 0.00 C ATOM 1514 CG LYS A 477 6.521 1.567 -8.495 1.00 0.00 C ATOM 1515 CD LYS A 477 5.146 1.657 -9.170 1.00 0.00 C ATOM 1516 CE LYS A 477 5.168 0.838 -10.468 1.00 0.00 C ATOM 1517 NZ LYS A 477 3.832 0.791 -11.113 1.00 0.00 N ATOM 0 H LYS A 477 7.090 3.645 -5.191 1.00 0.00 H new ATOM 0 HA LYS A 477 7.865 1.040 -6.083 1.00 0.00 H new ATOM 0 HB2 LYS A 477 5.702 2.158 -6.586 1.00 0.00 H new ATOM 0 HB3 LYS A 477 6.541 3.445 -7.428 1.00 0.00 H new ATOM 0 HG2 LYS A 477 7.286 1.928 -9.183 1.00 0.00 H new ATOM 0 HG3 LYS A 477 6.751 0.523 -8.281 1.00 0.00 H new ATOM 0 HD2 LYS A 477 4.373 1.279 -8.500 1.00 0.00 H new ATOM 0 HD3 LYS A 477 4.901 2.697 -9.386 1.00 0.00 H new ATOM 0 HE2 LYS A 477 5.890 1.272 -11.159 1.00 0.00 H new ATOM 0 HE3 LYS A 477 5.503 -0.176 -10.252 1.00 0.00 H new ATOM 0 HZ1 LYS A 477 3.922 0.394 -12.070 1.00 0.00 H new ATOM 0 HZ2 LYS A 477 3.195 0.193 -10.549 1.00 0.00 H new ATOM 0 HZ3 LYS A 477 3.441 1.753 -11.173 1.00 0.00 H new