USER MOD reduce.3.24.130724 H: found=0, std=0, add=572, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 573 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 451 ASN : amide:sc= -1.83! C(o=-1.5!,f=-3.9!) USER MOD Set 1.2: A 454 SER OG : rot 180:sc= 0.292 USER MOD Set 2.1: A 415 GLN : amide:sc= -0.284 X(o=-0.5,f=-0.77) USER MOD Set 2.2: A 419 GLN : amide:sc= -0.216 K(o=-0.5,f=-1.4) USER MOD Single : A 395 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 402 ASN : amide:sc= -7.07! C(o=-7.1!,f=-13!) USER MOD Single : A 406 TYR OH : rot 32:sc= -0.181 USER MOD Single : A 407 HIS : no HE2:sc= -0.921 X(o=-0.92,f=-1.1) USER MOD Single : A 410 GLN : amide:sc= -0.0733 K(o=-0.073,f=-1.6!) USER MOD Single : A 420 MET CE :methyl 169:sc= 0 (180deg=-0.46) USER MOD Single : A 422 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 426 ASN : amide:sc= 0.00698 K(o=0.007,f=-1.7!) USER MOD Single : A 429 SER OG : rot 142:sc= 1.68 USER MOD Single : A 431 LYS NZ :NH3+ -153:sc= 1.25 (180deg=0.623) USER MOD Single : A 443 CYS SG : rot -79:sc= 0.057 USER MOD Single : A 448 SER OG : rot 120:sc= -0.016 USER MOD Single : A 449 TYR OH : rot -122:sc= -0.484 USER MOD Single : A 456 GLN :FLIP amide:sc= -0.0916 F(o=-1.5!,f=-0.092) USER MOD Single : A 460 GLN :FLIP amide:sc= 0 F(o=-0.71,f=0) USER MOD Single : A 461 SER OG : rot 180:sc= 0 USER MOD Single : A 462 MET CE :methyl -161:sc=-0.00522 (180deg=-0.171) USER MOD Single : A 463 ASN : amide:sc= -0.0113 X(o=-0.011,f=-0.15) USER MOD Single : A 466 GLN : amide:sc= -0.954 X(o=-0.95,f=-0.99) USER MOD Single : A 469 MET CE :methyl -139:sc= 0 (180deg=-0.0306) USER MOD Single : A 470 LYS NZ :NH3+ -109:sc= -0.783 (180deg=-1.46) 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+ 172:sc= 0.289 (180deg=-0.133) USER MOD ----------------------------------------------------------------- ATOM 225 N LYS A 395 9.485 4.848 3.245 1.00 0.00 N ATOM 226 CA LYS A 395 9.353 6.290 3.076 1.00 0.00 C ATOM 227 C LYS A 395 7.887 6.690 2.941 1.00 0.00 C ATOM 228 O LYS A 395 7.005 5.835 2.873 1.00 0.00 O ATOM 229 CB LYS A 395 10.134 6.753 1.844 1.00 0.00 C ATOM 230 CG LYS A 395 9.569 6.232 0.533 1.00 0.00 C ATOM 231 CD LYS A 395 10.461 6.594 -0.642 1.00 0.00 C ATOM 232 CE LYS A 395 10.546 8.101 -0.834 1.00 0.00 C ATOM 233 NZ LYS A 395 11.248 8.460 -2.098 1.00 0.00 N ATOM 0 HA LYS A 395 9.763 6.774 3.962 1.00 0.00 H new ATOM 0 HB2 LYS A 395 10.143 7.843 1.818 1.00 0.00 H new ATOM 0 HB3 LYS A 395 11.170 6.428 1.938 1.00 0.00 H new ATOM 0 HG2 LYS A 395 9.460 5.149 0.588 1.00 0.00 H new ATOM 0 HG3 LYS A 395 8.573 6.645 0.375 1.00 0.00 H new ATOM 0 HD2 LYS A 395 11.460 6.190 -0.480 1.00 0.00 H new ATOM 0 HD3 LYS A 395 10.074 6.132 -1.550 1.00 0.00 H new ATOM 0 HE2 LYS A 395 9.541 8.523 -0.844 1.00 0.00 H new ATOM 0 HE3 LYS A 395 11.070 8.546 0.012 1.00 0.00 H new ATOM 0 HZ1 LYS A 395 11.285 9.495 -2.192 1.00 0.00 H new ATOM 0 HZ2 LYS A 395 12.215 8.079 -2.078 1.00 0.00 H new ATOM 0 HZ3 LYS A 395 10.734 8.057 -2.907 1.00 0.00 H new ATOM 247 N GLU A 396 7.636 7.995 2.902 1.00 0.00 N ATOM 248 CA GLU A 396 6.277 8.507 2.775 1.00 0.00 C ATOM 249 C GLU A 396 6.187 9.540 1.655 1.00 0.00 C ATOM 250 O GLU A 396 7.181 9.847 0.998 1.00 0.00 O ATOM 251 CB GLU A 396 5.816 9.128 4.096 1.00 0.00 C ATOM 252 CG GLU A 396 6.115 8.266 5.311 1.00 0.00 C ATOM 253 CD GLU A 396 4.968 7.338 5.662 1.00 0.00 C ATOM 254 OE1 GLU A 396 3.805 7.789 5.616 1.00 0.00 O ATOM 255 OE2 GLU A 396 5.235 6.161 5.982 1.00 0.00 O ATOM 0 H GLU A 396 8.355 8.716 2.956 1.00 0.00 H new ATOM 0 HA GLU A 396 5.623 7.671 2.528 1.00 0.00 H new ATOM 0 HB2 GLU A 396 6.300 10.097 4.221 1.00 0.00 H new ATOM 0 HB3 GLU A 396 4.743 9.311 4.046 1.00 0.00 H new ATOM 0 HG2 GLU A 396 7.011 7.675 5.121 1.00 0.00 H new ATOM 0 HG3 GLU A 396 6.332 8.909 6.164 1.00 0.00 H new ATOM 262 N GLY A 397 4.987 10.073 1.444 1.00 0.00 N ATOM 263 CA GLY A 397 4.788 11.065 0.404 1.00 0.00 C ATOM 264 C GLY A 397 4.348 12.405 0.957 1.00 0.00 C ATOM 265 O GLY A 397 4.710 12.792 2.069 1.00 0.00 O ATOM 0 H GLY A 397 4.149 9.835 1.975 1.00 0.00 H new ATOM 0 HA2 GLY A 397 5.716 11.193 -0.154 1.00 0.00 H new ATOM 0 HA3 GLY A 397 4.039 10.703 -0.301 1.00 0.00 H new ATOM 269 N PRO A 398 3.547 13.141 0.172 1.00 0.00 N ATOM 270 CA PRO A 398 3.040 14.458 0.568 1.00 0.00 C ATOM 271 C PRO A 398 1.909 14.361 1.585 1.00 0.00 C ATOM 272 O PRO A 398 1.170 13.378 1.612 1.00 0.00 O ATOM 273 CB PRO A 398 2.529 15.052 -0.746 1.00 0.00 C ATOM 274 CG PRO A 398 2.154 13.872 -1.575 1.00 0.00 C ATOM 275 CD PRO A 398 3.076 12.743 -1.166 1.00 0.00 C ATOM 0 HA PRO A 398 3.807 15.061 1.053 1.00 0.00 H new ATOM 0 HB2 PRO A 398 1.673 15.706 -0.578 1.00 0.00 H new ATOM 0 HB3 PRO A 398 3.297 15.651 -1.235 1.00 0.00 H new ATOM 0 HG2 PRO A 398 1.112 13.599 -1.411 1.00 0.00 H new ATOM 0 HG3 PRO A 398 2.262 14.095 -2.637 1.00 0.00 H new ATOM 0 HD2 PRO A 398 2.551 11.788 -1.138 1.00 0.00 H new ATOM 0 HD3 PRO A 398 3.905 12.630 -1.865 1.00 0.00 H new ATOM 283 N GLU A 399 1.780 15.387 2.420 1.00 0.00 N ATOM 284 CA GLU A 399 0.737 15.417 3.439 1.00 0.00 C ATOM 285 C GLU A 399 -0.643 15.256 2.810 1.00 0.00 C ATOM 286 O GLU A 399 -1.141 16.158 2.138 1.00 0.00 O ATOM 287 CB GLU A 399 0.800 16.727 4.227 1.00 0.00 C ATOM 288 CG GLU A 399 -0.168 16.780 5.398 1.00 0.00 C ATOM 289 CD GLU A 399 -0.535 18.198 5.787 1.00 0.00 C ATOM 290 OE1 GLU A 399 0.331 19.090 5.671 1.00 0.00 O ATOM 291 OE2 GLU A 399 -1.691 18.416 6.207 1.00 0.00 O ATOM 0 H GLU A 399 2.385 16.208 2.411 1.00 0.00 H new ATOM 0 HA GLU A 399 0.907 14.583 4.120 1.00 0.00 H new ATOM 0 HB2 GLU A 399 1.815 16.869 4.599 1.00 0.00 H new ATOM 0 HB3 GLU A 399 0.588 17.557 3.553 1.00 0.00 H new ATOM 0 HG2 GLU A 399 -1.074 16.232 5.141 1.00 0.00 H new ATOM 0 HG3 GLU A 399 0.277 16.276 6.256 1.00 0.00 H new ATOM 298 N GLY A 400 -1.257 14.097 3.032 1.00 0.00 N ATOM 299 CA GLY A 400 -2.574 13.837 2.480 1.00 0.00 C ATOM 300 C GLY A 400 -2.638 12.525 1.726 1.00 0.00 C ATOM 301 O GLY A 400 -3.693 11.897 1.645 1.00 0.00 O ATOM 0 H GLY A 400 -0.866 13.334 3.584 1.00 0.00 H new ATOM 0 HA2 GLY A 400 -3.307 13.825 3.287 1.00 0.00 H new ATOM 0 HA3 GLY A 400 -2.851 14.651 1.810 1.00 0.00 H new ATOM 305 N ALA A 401 -1.504 12.108 1.170 1.00 0.00 N ATOM 306 CA ALA A 401 -1.436 10.861 0.418 1.00 0.00 C ATOM 307 C ALA A 401 -0.897 9.727 1.284 1.00 0.00 C ATOM 308 O ALA A 401 0.166 9.848 1.891 1.00 0.00 O ATOM 309 CB ALA A 401 -0.570 11.039 -0.820 1.00 0.00 C ATOM 0 H ALA A 401 -0.621 12.615 1.226 1.00 0.00 H new ATOM 0 HA ALA A 401 -2.447 10.597 0.107 1.00 0.00 H new ATOM 0 HB1 ALA A 401 -0.528 10.100 -1.372 1.00 0.00 H new ATOM 0 HB2 ALA A 401 -0.998 11.815 -1.455 1.00 0.00 H new ATOM 0 HB3 ALA A 401 0.437 11.330 -0.521 1.00 0.00 H new ATOM 315 N ASN A 402 -1.639 8.625 1.337 1.00 0.00 N ATOM 316 CA ASN A 402 -1.236 7.469 2.130 1.00 0.00 C ATOM 317 C ASN A 402 -1.927 6.203 1.635 1.00 0.00 C ATOM 318 O ASN A 402 -2.933 6.267 0.928 1.00 0.00 O ATOM 319 CB ASN A 402 -1.564 7.699 3.606 1.00 0.00 C ATOM 320 CG ASN A 402 -1.538 9.168 3.984 1.00 0.00 C ATOM 321 OD1 ASN A 402 -2.575 9.830 4.013 1.00 0.00 O ATOM 322 ND2 ASN A 402 -0.349 9.683 4.273 1.00 0.00 N ATOM 0 H ASN A 402 -2.522 8.508 0.840 1.00 0.00 H new ATOM 0 HA ASN A 402 -0.159 7.340 2.020 1.00 0.00 H new ATOM 0 HB2 ASN A 402 -2.550 7.288 3.824 1.00 0.00 H new ATOM 0 HB3 ASN A 402 -0.848 7.155 4.223 1.00 0.00 H new ATOM 0 HD21 ASN A 402 -0.268 10.666 4.532 1.00 0.00 H new ATOM 0 HD22 ASN A 402 0.484 9.096 4.236 1.00 0.00 H new ATOM 329 N LEU A 403 -1.379 5.052 2.011 1.00 0.00 N ATOM 330 CA LEU A 403 -1.943 3.769 1.606 1.00 0.00 C ATOM 331 C LEU A 403 -1.576 2.674 2.603 1.00 0.00 C ATOM 332 O LEU A 403 -0.401 2.462 2.905 1.00 0.00 O ATOM 333 CB LEU A 403 -1.447 3.389 0.210 1.00 0.00 C ATOM 334 CG LEU A 403 -2.103 4.126 -0.958 1.00 0.00 C ATOM 335 CD1 LEU A 403 -1.492 3.683 -2.279 1.00 0.00 C ATOM 336 CD2 LEU A 403 -3.606 3.891 -0.960 1.00 0.00 C ATOM 0 H LEU A 403 -0.546 4.981 2.595 1.00 0.00 H new ATOM 0 HA LEU A 403 -3.028 3.868 1.585 1.00 0.00 H new ATOM 0 HB2 LEU A 403 -0.372 3.565 0.167 1.00 0.00 H new ATOM 0 HB3 LEU A 403 -1.600 2.319 0.070 1.00 0.00 H new ATOM 0 HG LEU A 403 -1.922 5.194 -0.836 1.00 0.00 H new ATOM 0 HD11 LEU A 403 -1.971 4.218 -3.099 1.00 0.00 H new ATOM 0 HD12 LEU A 403 -0.424 3.902 -2.278 1.00 0.00 H new ATOM 0 HD13 LEU A 403 -1.642 2.611 -2.408 1.00 0.00 H new ATOM 0 HD21 LEU A 403 -4.056 4.423 -1.798 1.00 0.00 H new ATOM 0 HD22 LEU A 403 -3.807 2.824 -1.057 1.00 0.00 H new ATOM 0 HD23 LEU A 403 -4.033 4.257 -0.026 1.00 0.00 H new ATOM 348 N PHE A 404 -2.589 1.979 3.111 1.00 0.00 N ATOM 349 CA PHE A 404 -2.374 0.906 4.073 1.00 0.00 C ATOM 350 C PHE A 404 -3.190 -0.329 3.703 1.00 0.00 C ATOM 351 O PHE A 404 -4.421 -0.301 3.725 1.00 0.00 O ATOM 352 CB PHE A 404 -2.745 1.373 5.482 1.00 0.00 C ATOM 353 CG PHE A 404 -1.677 2.198 6.141 1.00 0.00 C ATOM 354 CD1 PHE A 404 -1.433 3.498 5.726 1.00 0.00 C ATOM 355 CD2 PHE A 404 -0.919 1.676 7.177 1.00 0.00 C ATOM 356 CE1 PHE A 404 -0.451 4.259 6.331 1.00 0.00 C ATOM 357 CE2 PHE A 404 0.064 2.433 7.785 1.00 0.00 C ATOM 358 CZ PHE A 404 0.298 3.726 7.362 1.00 0.00 C ATOM 0 H PHE A 404 -3.567 2.141 2.872 1.00 0.00 H new ATOM 0 HA PHE A 404 -1.317 0.641 4.052 1.00 0.00 H new ATOM 0 HB2 PHE A 404 -3.665 1.956 5.432 1.00 0.00 H new ATOM 0 HB3 PHE A 404 -2.954 0.501 6.102 1.00 0.00 H new ATOM 0 HD1 PHE A 404 -2.017 3.920 4.921 1.00 0.00 H new ATOM 0 HD2 PHE A 404 -1.099 0.666 7.513 1.00 0.00 H new ATOM 0 HE1 PHE A 404 -0.269 5.270 5.998 1.00 0.00 H new ATOM 0 HE2 PHE A 404 0.649 2.014 8.590 1.00 0.00 H new ATOM 0 HZ PHE A 404 1.065 4.320 7.836 1.00 0.00 H new ATOM 368 N ILE A 405 -2.496 -1.409 3.363 1.00 0.00 N ATOM 369 CA ILE A 405 -3.156 -2.654 2.988 1.00 0.00 C ATOM 370 C ILE A 405 -3.370 -3.550 4.203 1.00 0.00 C ATOM 371 O ILE A 405 -2.452 -3.776 4.990 1.00 0.00 O ATOM 372 CB ILE A 405 -2.343 -3.426 1.931 1.00 0.00 C ATOM 373 CG1 ILE A 405 -2.131 -2.561 0.687 1.00 0.00 C ATOM 374 CG2 ILE A 405 -3.047 -4.725 1.567 1.00 0.00 C ATOM 375 CD1 ILE A 405 -1.145 -1.434 0.897 1.00 0.00 C ATOM 0 H ILE A 405 -1.477 -1.448 3.339 1.00 0.00 H new ATOM 0 HA ILE A 405 -4.123 -2.384 2.564 1.00 0.00 H new ATOM 0 HB ILE A 405 -1.367 -3.670 2.351 1.00 0.00 H new ATOM 0 HG12 ILE A 405 -1.780 -3.192 -0.129 1.00 0.00 H new ATOM 0 HG13 ILE A 405 -3.089 -2.142 0.378 1.00 0.00 H new ATOM 0 HG21 ILE A 405 -2.461 -5.259 0.819 1.00 0.00 H new ATOM 0 HG22 ILE A 405 -3.151 -5.345 2.458 1.00 0.00 H new ATOM 0 HG23 ILE A 405 -4.035 -4.503 1.163 1.00 0.00 H new ATOM 0 HD11 ILE A 405 -1.044 -0.862 -0.026 1.00 0.00 H new ATOM 0 HD12 ILE A 405 -1.504 -0.780 1.692 1.00 0.00 H new ATOM 0 HD13 ILE A 405 -0.175 -1.846 1.177 1.00 0.00 H new ATOM 387 N TYR A 406 -4.589 -4.059 4.348 1.00 0.00 N ATOM 388 CA TYR A 406 -4.925 -4.931 5.467 1.00 0.00 C ATOM 389 C TYR A 406 -5.509 -6.252 4.974 1.00 0.00 C ATOM 390 O TYR A 406 -5.797 -6.411 3.787 1.00 0.00 O ATOM 391 CB TYR A 406 -5.920 -4.238 6.399 1.00 0.00 C ATOM 392 CG TYR A 406 -5.482 -2.856 6.833 1.00 0.00 C ATOM 393 CD1 TYR A 406 -4.381 -2.684 7.663 1.00 0.00 C ATOM 394 CD2 TYR A 406 -6.170 -1.725 6.414 1.00 0.00 C ATOM 395 CE1 TYR A 406 -3.977 -1.425 8.062 1.00 0.00 C ATOM 396 CE2 TYR A 406 -5.772 -0.461 6.808 1.00 0.00 C ATOM 397 CZ TYR A 406 -4.676 -0.317 7.632 1.00 0.00 C ATOM 398 OH TYR A 406 -4.277 0.940 8.027 1.00 0.00 O ATOM 0 H TYR A 406 -5.360 -3.883 3.704 1.00 0.00 H new ATOM 0 HA TYR A 406 -4.008 -5.143 6.017 1.00 0.00 H new ATOM 0 HB2 TYR A 406 -6.884 -4.163 5.896 1.00 0.00 H new ATOM 0 HB3 TYR A 406 -6.069 -4.857 7.283 1.00 0.00 H new ATOM 0 HD1 TYR A 406 -3.832 -3.550 8.002 1.00 0.00 H new ATOM 0 HD2 TYR A 406 -7.030 -1.835 5.770 1.00 0.00 H new ATOM 0 HE1 TYR A 406 -3.119 -1.309 8.707 1.00 0.00 H new ATOM 0 HE2 TYR A 406 -6.317 0.409 6.472 1.00 0.00 H new ATOM 0 HH TYR A 406 -3.304 0.954 8.140 1.00 0.00 H new ATOM 408 N HIS A 407 -5.682 -7.195 5.893 1.00 0.00 N ATOM 409 CA HIS A 407 -6.232 -8.502 5.553 1.00 0.00 C ATOM 410 C HIS A 407 -5.444 -9.144 4.415 1.00 0.00 C ATOM 411 O HIS A 407 -6.021 -9.587 3.420 1.00 0.00 O ATOM 412 CB HIS A 407 -7.704 -8.372 5.161 1.00 0.00 C ATOM 413 CG HIS A 407 -8.560 -7.771 6.234 1.00 0.00 C ATOM 414 ND1 HIS A 407 -9.442 -8.509 6.994 1.00 0.00 N ATOM 415 CD2 HIS A 407 -8.661 -6.495 6.674 1.00 0.00 C ATOM 416 CE1 HIS A 407 -10.052 -7.712 7.854 1.00 0.00 C ATOM 417 NE2 HIS A 407 -9.595 -6.484 7.680 1.00 0.00 N ATOM 0 H HIS A 407 -5.449 -7.079 6.879 1.00 0.00 H new ATOM 0 HA HIS A 407 -6.153 -9.142 6.432 1.00 0.00 H new ATOM 0 HB2 HIS A 407 -7.779 -7.760 4.262 1.00 0.00 H new ATOM 0 HB3 HIS A 407 -8.092 -9.359 4.908 1.00 0.00 H new ATOM 0 HD1 HIS A 407 -9.599 -9.513 6.906 1.00 0.00 H new ATOM 0 HD2 HIS A 407 -8.109 -5.644 6.303 1.00 0.00 H new ATOM 0 HE1 HIS A 407 -10.797 -8.013 8.576 1.00 0.00 H new ATOM 425 N LEU A 408 -4.126 -9.190 4.566 1.00 0.00 N ATOM 426 CA LEU A 408 -3.260 -9.778 3.550 1.00 0.00 C ATOM 427 C LEU A 408 -2.849 -11.195 3.938 1.00 0.00 C ATOM 428 O LEU A 408 -2.767 -11.544 5.116 1.00 0.00 O ATOM 429 CB LEU A 408 -2.015 -8.911 3.351 1.00 0.00 C ATOM 430 CG LEU A 408 -2.215 -7.621 2.555 1.00 0.00 C ATOM 431 CD1 LEU A 408 -1.020 -6.698 2.725 1.00 0.00 C ATOM 432 CD2 LEU A 408 -2.447 -7.933 1.084 1.00 0.00 C ATOM 0 H LEU A 408 -3.633 -8.827 5.382 1.00 0.00 H new ATOM 0 HA LEU A 408 -3.818 -9.825 2.615 1.00 0.00 H new ATOM 0 HB2 LEU A 408 -1.617 -8.651 4.332 1.00 0.00 H new ATOM 0 HB3 LEU A 408 -1.256 -9.510 2.848 1.00 0.00 H new ATOM 0 HG LEU A 408 -3.098 -7.111 2.941 1.00 0.00 H new ATOM 0 HD11 LEU A 408 -1.181 -5.785 2.151 1.00 0.00 H new ATOM 0 HD12 LEU A 408 -0.901 -6.448 3.779 1.00 0.00 H new ATOM 0 HD13 LEU A 408 -0.120 -7.198 2.367 1.00 0.00 H new ATOM 0 HD21 LEU A 408 -2.587 -7.003 0.533 1.00 0.00 H new ATOM 0 HD22 LEU A 408 -1.584 -8.465 0.684 1.00 0.00 H new ATOM 0 HD23 LEU A 408 -3.336 -8.554 0.980 1.00 0.00 H new ATOM 444 N PRO A 409 -2.583 -12.032 2.924 1.00 0.00 N ATOM 445 CA PRO A 409 -2.174 -13.424 3.133 1.00 0.00 C ATOM 446 C PRO A 409 -0.764 -13.534 3.703 1.00 0.00 C ATOM 447 O PRO A 409 -0.182 -12.541 4.138 1.00 0.00 O ATOM 448 CB PRO A 409 -2.232 -14.027 1.728 1.00 0.00 C ATOM 449 CG PRO A 409 -2.020 -12.871 0.811 1.00 0.00 C ATOM 450 CD PRO A 409 -2.661 -11.684 1.495 1.00 0.00 C ATOM 0 HA PRO A 409 -2.813 -13.932 3.855 1.00 0.00 H new ATOM 0 HB2 PRO A 409 -1.463 -14.787 1.591 1.00 0.00 H new ATOM 0 HB3 PRO A 409 -3.192 -14.508 1.543 1.00 0.00 H new ATOM 0 HG2 PRO A 409 -0.958 -12.697 0.639 1.00 0.00 H new ATOM 0 HG3 PRO A 409 -2.475 -13.055 -0.162 1.00 0.00 H new ATOM 0 HD2 PRO A 409 -2.128 -10.758 1.277 1.00 0.00 H new ATOM 0 HD3 PRO A 409 -3.692 -11.542 1.171 1.00 0.00 H new ATOM 458 N GLN A 410 -0.222 -14.749 3.699 1.00 0.00 N ATOM 459 CA GLN A 410 1.120 -14.987 4.216 1.00 0.00 C ATOM 460 C GLN A 410 2.139 -15.037 3.081 1.00 0.00 C ATOM 461 O GLN A 410 3.261 -14.553 3.223 1.00 0.00 O ATOM 462 CB GLN A 410 1.158 -16.294 5.010 1.00 0.00 C ATOM 463 CG GLN A 410 0.572 -16.174 6.407 1.00 0.00 C ATOM 464 CD GLN A 410 1.039 -17.281 7.332 1.00 0.00 C ATOM 465 OE1 GLN A 410 1.835 -18.136 6.944 1.00 0.00 O ATOM 466 NE2 GLN A 410 0.543 -17.271 8.565 1.00 0.00 N ATOM 0 H GLN A 410 -0.692 -15.582 3.344 1.00 0.00 H new ATOM 0 HA GLN A 410 1.380 -14.161 4.877 1.00 0.00 H new ATOM 0 HB2 GLN A 410 0.611 -17.060 4.460 1.00 0.00 H new ATOM 0 HB3 GLN A 410 2.191 -16.633 5.086 1.00 0.00 H new ATOM 0 HG2 GLN A 410 0.849 -15.209 6.832 1.00 0.00 H new ATOM 0 HG3 GLN A 410 -0.516 -16.193 6.344 1.00 0.00 H new ATOM 0 HE21 GLN A 410 -0.115 -16.543 8.844 1.00 0.00 H new ATOM 0 HE22 GLN A 410 0.820 -17.991 9.232 1.00 0.00 H new ATOM 475 N GLU A 411 1.739 -15.626 1.959 1.00 0.00 N ATOM 476 CA GLU A 411 2.620 -15.740 0.803 1.00 0.00 C ATOM 477 C GLU A 411 3.093 -14.365 0.341 1.00 0.00 C ATOM 478 O GLU A 411 4.246 -14.194 -0.056 1.00 0.00 O ATOM 479 CB GLU A 411 1.901 -16.455 -0.344 1.00 0.00 C ATOM 480 CG GLU A 411 0.802 -15.626 -0.985 1.00 0.00 C ATOM 481 CD GLU A 411 1.302 -14.797 -2.153 1.00 0.00 C ATOM 482 OE1 GLU A 411 2.485 -14.399 -2.134 1.00 0.00 O ATOM 483 OE2 GLU A 411 0.509 -14.547 -3.084 1.00 0.00 O ATOM 0 H GLU A 411 0.812 -16.031 1.826 1.00 0.00 H new ATOM 0 HA GLU A 411 3.491 -16.324 1.099 1.00 0.00 H new ATOM 0 HB2 GLU A 411 2.631 -16.726 -1.106 1.00 0.00 H new ATOM 0 HB3 GLU A 411 1.472 -17.384 0.031 1.00 0.00 H new ATOM 0 HG2 GLU A 411 0.006 -16.287 -1.328 1.00 0.00 H new ATOM 0 HG3 GLU A 411 0.366 -14.965 -0.235 1.00 0.00 H new ATOM 490 N PHE A 412 2.195 -13.386 0.399 1.00 0.00 N ATOM 491 CA PHE A 412 2.520 -12.027 -0.014 1.00 0.00 C ATOM 492 C PHE A 412 3.682 -11.472 0.804 1.00 0.00 C ATOM 493 O PHE A 412 3.777 -11.710 2.007 1.00 0.00 O ATOM 494 CB PHE A 412 1.296 -11.119 0.137 1.00 0.00 C ATOM 495 CG PHE A 412 0.443 -11.054 -1.096 1.00 0.00 C ATOM 496 CD1 PHE A 412 -0.191 -12.188 -1.578 1.00 0.00 C ATOM 497 CD2 PHE A 412 0.273 -9.858 -1.774 1.00 0.00 C ATOM 498 CE1 PHE A 412 -0.978 -12.131 -2.712 1.00 0.00 C ATOM 499 CE2 PHE A 412 -0.513 -9.793 -2.909 1.00 0.00 C ATOM 500 CZ PHE A 412 -1.138 -10.932 -3.380 1.00 0.00 C ATOM 0 H PHE A 412 1.237 -13.509 0.728 1.00 0.00 H new ATOM 0 HA PHE A 412 2.817 -12.054 -1.062 1.00 0.00 H new ATOM 0 HB2 PHE A 412 0.690 -11.475 0.970 1.00 0.00 H new ATOM 0 HB3 PHE A 412 1.629 -10.113 0.392 1.00 0.00 H new ATOM 0 HD1 PHE A 412 -0.068 -13.128 -1.061 1.00 0.00 H new ATOM 0 HD2 PHE A 412 0.761 -8.965 -1.411 1.00 0.00 H new ATOM 0 HE1 PHE A 412 -1.467 -13.022 -3.076 1.00 0.00 H new ATOM 0 HE2 PHE A 412 -0.639 -8.854 -3.427 1.00 0.00 H new ATOM 0 HZ PHE A 412 -1.750 -10.885 -4.268 1.00 0.00 H new ATOM 510 N GLY A 413 4.565 -10.733 0.141 1.00 0.00 N ATOM 511 CA GLY A 413 5.711 -10.156 0.822 1.00 0.00 C ATOM 512 C GLY A 413 5.821 -8.660 0.605 1.00 0.00 C ATOM 513 O GLY A 413 4.832 -7.935 0.716 1.00 0.00 O ATOM 0 H GLY A 413 4.508 -10.523 -0.856 1.00 0.00 H new ATOM 0 HA2 GLY A 413 5.636 -10.361 1.890 1.00 0.00 H new ATOM 0 HA3 GLY A 413 6.622 -10.639 0.468 1.00 0.00 H new ATOM 517 N ASP A 414 7.028 -8.196 0.298 1.00 0.00 N ATOM 518 CA ASP A 414 7.265 -6.776 0.067 1.00 0.00 C ATOM 519 C ASP A 414 7.021 -6.416 -1.395 1.00 0.00 C ATOM 520 O ASP A 414 6.232 -5.521 -1.700 1.00 0.00 O ATOM 521 CB ASP A 414 8.694 -6.403 0.465 1.00 0.00 C ATOM 522 CG ASP A 414 9.733 -7.164 -0.334 1.00 0.00 C ATOM 523 OD1 ASP A 414 9.609 -8.402 -0.444 1.00 0.00 O ATOM 524 OD2 ASP A 414 10.672 -6.521 -0.850 1.00 0.00 O ATOM 0 H ASP A 414 7.857 -8.783 0.203 1.00 0.00 H new ATOM 0 HA ASP A 414 6.566 -6.211 0.684 1.00 0.00 H new ATOM 0 HB2 ASP A 414 8.841 -5.333 0.321 1.00 0.00 H new ATOM 0 HB3 ASP A 414 8.837 -6.604 1.527 1.00 0.00 H new ATOM 529 N GLN A 415 7.702 -7.118 -2.295 1.00 0.00 N ATOM 530 CA GLN A 415 7.561 -6.870 -3.724 1.00 0.00 C ATOM 531 C GLN A 415 6.118 -7.081 -4.172 1.00 0.00 C ATOM 532 O GLN A 415 5.473 -6.160 -4.673 1.00 0.00 O ATOM 533 CB GLN A 415 8.493 -7.787 -4.518 1.00 0.00 C ATOM 534 CG GLN A 415 9.869 -7.190 -4.762 1.00 0.00 C ATOM 535 CD GLN A 415 9.817 -5.921 -5.591 1.00 0.00 C ATOM 536 OE1 GLN A 415 9.091 -5.845 -6.584 1.00 0.00 O ATOM 537 NE2 GLN A 415 10.585 -4.917 -5.188 1.00 0.00 N ATOM 0 H GLN A 415 8.357 -7.863 -2.059 1.00 0.00 H new ATOM 0 HA GLN A 415 7.835 -5.833 -3.916 1.00 0.00 H new ATOM 0 HB2 GLN A 415 8.605 -8.730 -3.982 1.00 0.00 H new ATOM 0 HB3 GLN A 415 8.031 -8.018 -5.478 1.00 0.00 H new ATOM 0 HG2 GLN A 415 10.342 -6.974 -3.804 1.00 0.00 H new ATOM 0 HG3 GLN A 415 10.495 -7.925 -5.268 1.00 0.00 H new ATOM 0 HE21 GLN A 415 11.171 -5.024 -4.360 1.00 0.00 H new ATOM 0 HE22 GLN A 415 10.590 -4.039 -5.706 1.00 0.00 H new ATOM 546 N ASP A 416 5.620 -8.299 -3.990 1.00 0.00 N ATOM 547 CA ASP A 416 4.252 -8.630 -4.375 1.00 0.00 C ATOM 548 C ASP A 416 3.324 -7.439 -4.165 1.00 0.00 C ATOM 549 O ASP A 416 2.671 -6.974 -5.100 1.00 0.00 O ATOM 550 CB ASP A 416 3.752 -9.832 -3.572 1.00 0.00 C ATOM 551 CG ASP A 416 4.670 -11.032 -3.691 1.00 0.00 C ATOM 552 OD1 ASP A 416 4.902 -11.490 -4.829 1.00 0.00 O ATOM 553 OD2 ASP A 416 5.156 -11.513 -2.646 1.00 0.00 O ATOM 0 H ASP A 416 6.142 -9.073 -3.579 1.00 0.00 H new ATOM 0 HA ASP A 416 4.250 -8.884 -5.435 1.00 0.00 H new ATOM 0 HB2 ASP A 416 3.661 -9.551 -2.523 1.00 0.00 H new ATOM 0 HB3 ASP A 416 2.755 -10.106 -3.917 1.00 0.00 H new ATOM 558 N LEU A 417 3.269 -6.948 -2.932 1.00 0.00 N ATOM 559 CA LEU A 417 2.419 -5.811 -2.597 1.00 0.00 C ATOM 560 C LEU A 417 2.703 -4.630 -3.521 1.00 0.00 C ATOM 561 O LEU A 417 1.781 -3.980 -4.015 1.00 0.00 O ATOM 562 CB LEU A 417 2.636 -5.397 -1.140 1.00 0.00 C ATOM 563 CG LEU A 417 1.855 -4.172 -0.667 1.00 0.00 C ATOM 564 CD1 LEU A 417 0.357 -4.424 -0.764 1.00 0.00 C ATOM 565 CD2 LEU A 417 2.244 -3.808 0.758 1.00 0.00 C ATOM 0 H LEU A 417 3.804 -7.320 -2.147 1.00 0.00 H new ATOM 0 HA LEU A 417 1.380 -6.113 -2.731 1.00 0.00 H new ATOM 0 HB2 LEU A 417 2.373 -6.240 -0.501 1.00 0.00 H new ATOM 0 HB3 LEU A 417 3.699 -5.205 -0.992 1.00 0.00 H new ATOM 0 HG LEU A 417 2.105 -3.333 -1.316 1.00 0.00 H new ATOM 0 HD11 LEU A 417 -0.183 -3.541 -0.423 1.00 0.00 H new ATOM 0 HD12 LEU A 417 0.090 -4.636 -1.799 1.00 0.00 H new ATOM 0 HD13 LEU A 417 0.090 -5.276 -0.139 1.00 0.00 H new ATOM 0 HD21 LEU A 417 1.678 -2.933 1.078 1.00 0.00 H new ATOM 0 HD22 LEU A 417 2.023 -4.645 1.420 1.00 0.00 H new ATOM 0 HD23 LEU A 417 3.310 -3.585 0.798 1.00 0.00 H new ATOM 577 N LEU A 418 3.983 -4.359 -3.751 1.00 0.00 N ATOM 578 CA LEU A 418 4.388 -3.257 -4.616 1.00 0.00 C ATOM 579 C LEU A 418 3.979 -3.522 -6.061 1.00 0.00 C ATOM 580 O LEU A 418 3.193 -2.773 -6.641 1.00 0.00 O ATOM 581 CB LEU A 418 5.901 -3.048 -4.533 1.00 0.00 C ATOM 582 CG LEU A 418 6.491 -2.021 -5.501 1.00 0.00 C ATOM 583 CD1 LEU A 418 6.111 -0.610 -5.079 1.00 0.00 C ATOM 584 CD2 LEU A 418 8.004 -2.167 -5.578 1.00 0.00 C ATOM 0 H LEU A 418 4.758 -4.887 -3.350 1.00 0.00 H new ATOM 0 HA LEU A 418 3.883 -2.354 -4.274 1.00 0.00 H new ATOM 0 HB2 LEU A 418 6.150 -2.744 -3.516 1.00 0.00 H new ATOM 0 HB3 LEU A 418 6.390 -4.006 -4.709 1.00 0.00 H new ATOM 0 HG LEU A 418 6.077 -2.206 -6.492 1.00 0.00 H new ATOM 0 HD11 LEU A 418 6.540 0.107 -5.779 1.00 0.00 H new ATOM 0 HD12 LEU A 418 5.026 -0.511 -5.077 1.00 0.00 H new ATOM 0 HD13 LEU A 418 6.495 -0.414 -4.078 1.00 0.00 H new ATOM 0 HD21 LEU A 418 8.406 -1.428 -6.271 1.00 0.00 H new ATOM 0 HD22 LEU A 418 8.436 -2.010 -4.590 1.00 0.00 H new ATOM 0 HD23 LEU A 418 8.256 -3.168 -5.928 1.00 0.00 H new ATOM 596 N GLN A 419 4.516 -4.594 -6.636 1.00 0.00 N ATOM 597 CA GLN A 419 4.205 -4.957 -8.014 1.00 0.00 C ATOM 598 C GLN A 419 2.696 -5.017 -8.234 1.00 0.00 C ATOM 599 O GLN A 419 2.223 -4.992 -9.370 1.00 0.00 O ATOM 600 CB GLN A 419 4.837 -6.305 -8.363 1.00 0.00 C ATOM 601 CG GLN A 419 6.336 -6.356 -8.120 1.00 0.00 C ATOM 602 CD GLN A 419 7.120 -5.558 -9.143 1.00 0.00 C ATOM 603 OE1 GLN A 419 7.786 -4.579 -8.807 1.00 0.00 O ATOM 604 NE2 GLN A 419 7.045 -5.973 -10.403 1.00 0.00 N ATOM 0 H GLN A 419 5.167 -5.225 -6.170 1.00 0.00 H new ATOM 0 HA GLN A 419 4.619 -4.189 -8.668 1.00 0.00 H new ATOM 0 HB2 GLN A 419 4.355 -7.086 -7.774 1.00 0.00 H new ATOM 0 HB3 GLN A 419 4.640 -6.529 -9.411 1.00 0.00 H new ATOM 0 HG2 GLN A 419 6.552 -5.973 -7.123 1.00 0.00 H new ATOM 0 HG3 GLN A 419 6.669 -7.394 -8.142 1.00 0.00 H new ATOM 0 HE21 GLN A 419 6.481 -6.790 -10.638 1.00 0.00 H new ATOM 0 HE22 GLN A 419 7.551 -5.475 -11.135 1.00 0.00 H new ATOM 613 N MET A 420 1.947 -5.095 -7.139 1.00 0.00 N ATOM 614 CA MET A 420 0.491 -5.158 -7.213 1.00 0.00 C ATOM 615 C MET A 420 -0.107 -3.760 -7.327 1.00 0.00 C ATOM 616 O MET A 420 -1.110 -3.557 -8.012 1.00 0.00 O ATOM 617 CB MET A 420 -0.072 -5.869 -5.981 1.00 0.00 C ATOM 618 CG MET A 420 -1.592 -5.862 -5.918 1.00 0.00 C ATOM 619 SD MET A 420 -2.218 -6.076 -4.240 1.00 0.00 S ATOM 620 CE MET A 420 -2.957 -7.702 -4.361 1.00 0.00 C ATOM 0 H MET A 420 2.323 -5.116 -6.191 1.00 0.00 H new ATOM 0 HA MET A 420 0.220 -5.723 -8.105 1.00 0.00 H new ATOM 0 HB2 MET A 420 0.279 -6.901 -5.975 1.00 0.00 H new ATOM 0 HB3 MET A 420 0.323 -5.392 -5.084 1.00 0.00 H new ATOM 0 HG2 MET A 420 -1.964 -4.921 -6.323 1.00 0.00 H new ATOM 0 HG3 MET A 420 -1.982 -6.659 -6.552 1.00 0.00 H new ATOM 0 HE1 MET A 420 -3.214 -8.060 -3.364 1.00 0.00 H new ATOM 0 HE2 MET A 420 -3.859 -7.647 -4.970 1.00 0.00 H new ATOM 0 HE3 MET A 420 -2.249 -8.390 -4.823 1.00 0.00 H new ATOM 630 N PHE A 421 0.512 -2.799 -6.649 1.00 0.00 N ATOM 631 CA PHE A 421 0.039 -1.419 -6.673 1.00 0.00 C ATOM 632 C PHE A 421 0.731 -0.626 -7.778 1.00 0.00 C ATOM 633 O PHE A 421 0.261 0.437 -8.181 1.00 0.00 O ATOM 634 CB PHE A 421 0.284 -0.751 -5.319 1.00 0.00 C ATOM 635 CG PHE A 421 -0.745 -1.102 -4.282 1.00 0.00 C ATOM 636 CD1 PHE A 421 -1.114 -2.421 -4.072 1.00 0.00 C ATOM 637 CD2 PHE A 421 -1.343 -0.114 -3.518 1.00 0.00 C ATOM 638 CE1 PHE A 421 -2.059 -2.748 -3.119 1.00 0.00 C ATOM 639 CE2 PHE A 421 -2.289 -0.434 -2.563 1.00 0.00 C ATOM 640 CZ PHE A 421 -2.648 -1.753 -2.364 1.00 0.00 C ATOM 0 H PHE A 421 1.342 -2.950 -6.076 1.00 0.00 H new ATOM 0 HA PHE A 421 -1.032 -1.431 -6.876 1.00 0.00 H new ATOM 0 HB2 PHE A 421 1.270 -1.040 -4.954 1.00 0.00 H new ATOM 0 HB3 PHE A 421 0.298 0.331 -5.454 1.00 0.00 H new ATOM 0 HD1 PHE A 421 -0.657 -3.203 -4.661 1.00 0.00 H new ATOM 0 HD2 PHE A 421 -1.067 0.919 -3.670 1.00 0.00 H new ATOM 0 HE1 PHE A 421 -2.337 -3.780 -2.965 1.00 0.00 H new ATOM 0 HE2 PHE A 421 -2.747 0.346 -1.973 1.00 0.00 H new ATOM 0 HZ PHE A 421 -3.388 -2.006 -1.619 1.00 0.00 H new ATOM 650 N MET A 422 1.852 -1.151 -8.262 1.00 0.00 N ATOM 651 CA MET A 422 2.610 -0.493 -9.320 1.00 0.00 C ATOM 652 C MET A 422 1.704 -0.135 -10.495 1.00 0.00 C ATOM 653 O MET A 422 1.751 0.972 -11.030 1.00 0.00 O ATOM 654 CB MET A 422 3.750 -1.394 -9.796 1.00 0.00 C ATOM 655 CG MET A 422 5.063 -1.147 -9.071 1.00 0.00 C ATOM 656 SD MET A 422 6.450 -2.015 -9.828 1.00 0.00 S ATOM 657 CE MET A 422 7.753 -0.800 -9.641 1.00 0.00 C ATOM 0 H MET A 422 2.256 -2.030 -7.938 1.00 0.00 H new ATOM 0 HA MET A 422 3.030 0.427 -8.914 1.00 0.00 H new ATOM 0 HB2 MET A 422 3.460 -2.436 -9.660 1.00 0.00 H new ATOM 0 HB3 MET A 422 3.900 -1.242 -10.865 1.00 0.00 H new ATOM 0 HG2 MET A 422 5.272 -0.077 -9.060 1.00 0.00 H new ATOM 0 HG3 MET A 422 4.965 -1.463 -8.033 1.00 0.00 H new ATOM 0 HE1 MET A 422 8.679 -1.191 -10.063 1.00 0.00 H new ATOM 0 HE2 MET A 422 7.475 0.115 -10.163 1.00 0.00 H new ATOM 0 HE3 MET A 422 7.900 -0.584 -8.583 1.00 0.00 H new ATOM 667 N PRO A 423 0.860 -1.094 -10.905 1.00 0.00 N ATOM 668 CA PRO A 423 -0.072 -0.902 -12.021 1.00 0.00 C ATOM 669 C PRO A 423 -0.846 0.407 -11.911 1.00 0.00 C ATOM 670 O PRO A 423 -0.960 1.156 -12.883 1.00 0.00 O ATOM 671 CB PRO A 423 -1.022 -2.096 -11.897 1.00 0.00 C ATOM 672 CG PRO A 423 -0.224 -3.145 -11.203 1.00 0.00 C ATOM 673 CD PRO A 423 0.750 -2.437 -10.312 1.00 0.00 C ATOM 0 HA PRO A 423 0.445 -0.847 -12.979 1.00 0.00 H new ATOM 0 HB2 PRO A 423 -1.914 -1.835 -11.327 1.00 0.00 H new ATOM 0 HB3 PRO A 423 -1.358 -2.437 -12.876 1.00 0.00 H new ATOM 0 HG2 PRO A 423 -0.872 -3.801 -10.622 1.00 0.00 H new ATOM 0 HG3 PRO A 423 0.299 -3.772 -11.925 1.00 0.00 H new ATOM 0 HD2 PRO A 423 0.391 -2.392 -9.284 1.00 0.00 H new ATOM 0 HD3 PRO A 423 1.714 -2.945 -10.291 1.00 0.00 H new ATOM 681 N PHE A 424 -1.376 0.679 -10.724 1.00 0.00 N ATOM 682 CA PHE A 424 -2.141 1.898 -10.487 1.00 0.00 C ATOM 683 C PHE A 424 -1.284 3.135 -10.745 1.00 0.00 C ATOM 684 O PHE A 424 -1.772 4.148 -11.242 1.00 0.00 O ATOM 685 CB PHE A 424 -2.673 1.923 -9.053 1.00 0.00 C ATOM 686 CG PHE A 424 -3.868 1.038 -8.843 1.00 0.00 C ATOM 687 CD1 PHE A 424 -3.708 -0.308 -8.553 1.00 0.00 C ATOM 688 CD2 PHE A 424 -5.151 1.551 -8.932 1.00 0.00 C ATOM 689 CE1 PHE A 424 -4.806 -1.124 -8.360 1.00 0.00 C ATOM 690 CE2 PHE A 424 -6.253 0.740 -8.739 1.00 0.00 C ATOM 691 CZ PHE A 424 -6.080 -0.599 -8.451 1.00 0.00 C ATOM 0 H PHE A 424 -1.290 0.071 -9.910 1.00 0.00 H new ATOM 0 HA PHE A 424 -2.983 1.909 -11.179 1.00 0.00 H new ATOM 0 HB2 PHE A 424 -1.878 1.615 -8.373 1.00 0.00 H new ATOM 0 HB3 PHE A 424 -2.938 2.947 -8.790 1.00 0.00 H new ATOM 0 HD1 PHE A 424 -2.714 -0.723 -8.477 1.00 0.00 H new ATOM 0 HD2 PHE A 424 -5.292 2.598 -9.155 1.00 0.00 H new ATOM 0 HE1 PHE A 424 -4.668 -2.172 -8.138 1.00 0.00 H new ATOM 0 HE2 PHE A 424 -7.248 1.153 -8.813 1.00 0.00 H new ATOM 0 HZ PHE A 424 -6.939 -1.235 -8.297 1.00 0.00 H new ATOM 701 N GLY A 425 -0.003 3.041 -10.402 1.00 0.00 N ATOM 702 CA GLY A 425 0.902 4.159 -10.603 1.00 0.00 C ATOM 703 C GLY A 425 2.246 3.943 -9.938 1.00 0.00 C ATOM 704 O GLY A 425 2.482 2.905 -9.321 1.00 0.00 O ATOM 0 H GLY A 425 0.424 2.212 -9.989 1.00 0.00 H new ATOM 0 HA2 GLY A 425 1.050 4.315 -11.672 1.00 0.00 H new ATOM 0 HA3 GLY A 425 0.446 5.067 -10.208 1.00 0.00 H new ATOM 708 N ASN A 426 3.133 4.925 -10.066 1.00 0.00 N ATOM 709 CA ASN A 426 4.463 4.836 -9.474 1.00 0.00 C ATOM 710 C ASN A 426 4.387 4.905 -7.952 1.00 0.00 C ATOM 711 O ASN A 426 4.086 5.954 -7.381 1.00 0.00 O ATOM 712 CB ASN A 426 5.355 5.961 -10.003 1.00 0.00 C ATOM 713 CG ASN A 426 5.465 5.949 -11.515 1.00 0.00 C ATOM 714 OD1 ASN A 426 4.496 6.232 -12.221 1.00 0.00 O ATOM 715 ND2 ASN A 426 6.648 5.620 -12.021 1.00 0.00 N ATOM 0 H ASN A 426 2.955 5.791 -10.574 1.00 0.00 H new ATOM 0 HA ASN A 426 4.895 3.876 -9.755 1.00 0.00 H new ATOM 0 HB2 ASN A 426 4.955 6.921 -9.678 1.00 0.00 H new ATOM 0 HB3 ASN A 426 6.350 5.867 -9.568 1.00 0.00 H new ATOM 0 HD21 ASN A 426 6.781 5.595 -13.032 1.00 0.00 H new ATOM 0 HD22 ASN A 426 7.424 5.393 -11.399 1.00 0.00 H new ATOM 722 N VAL A 427 4.663 3.781 -7.299 1.00 0.00 N ATOM 723 CA VAL A 427 4.627 3.713 -5.844 1.00 0.00 C ATOM 724 C VAL A 427 5.895 4.303 -5.235 1.00 0.00 C ATOM 725 O VAL A 427 7.006 3.972 -5.648 1.00 0.00 O ATOM 726 CB VAL A 427 4.462 2.263 -5.352 1.00 0.00 C ATOM 727 CG1 VAL A 427 4.457 2.211 -3.832 1.00 0.00 C ATOM 728 CG2 VAL A 427 3.190 1.650 -5.919 1.00 0.00 C ATOM 0 H VAL A 427 4.914 2.904 -7.756 1.00 0.00 H new ATOM 0 HA VAL A 427 3.765 4.298 -5.522 1.00 0.00 H new ATOM 0 HB VAL A 427 5.310 1.678 -5.708 1.00 0.00 H new ATOM 0 HG11 VAL A 427 4.339 1.178 -3.504 1.00 0.00 H new ATOM 0 HG12 VAL A 427 5.398 2.608 -3.451 1.00 0.00 H new ATOM 0 HG13 VAL A 427 3.630 2.809 -3.450 1.00 0.00 H new ATOM 0 HG21 VAL A 427 3.089 0.625 -5.561 1.00 0.00 H new ATOM 0 HG22 VAL A 427 2.329 2.234 -5.595 1.00 0.00 H new ATOM 0 HG23 VAL A 427 3.240 1.651 -7.008 1.00 0.00 H new ATOM 738 N VAL A 428 5.720 5.179 -4.250 1.00 0.00 N ATOM 739 CA VAL A 428 6.850 5.814 -3.584 1.00 0.00 C ATOM 740 C VAL A 428 7.401 4.929 -2.471 1.00 0.00 C ATOM 741 O VAL A 428 8.609 4.718 -2.372 1.00 0.00 O ATOM 742 CB VAL A 428 6.456 7.180 -2.990 1.00 0.00 C ATOM 743 CG1 VAL A 428 7.562 7.711 -2.091 1.00 0.00 C ATOM 744 CG2 VAL A 428 6.136 8.171 -4.099 1.00 0.00 C ATOM 0 H VAL A 428 4.807 5.464 -3.896 1.00 0.00 H new ATOM 0 HA VAL A 428 7.620 5.963 -4.341 1.00 0.00 H new ATOM 0 HB VAL A 428 5.560 7.048 -2.383 1.00 0.00 H new ATOM 0 HG11 VAL A 428 7.265 8.676 -1.681 1.00 0.00 H new ATOM 0 HG12 VAL A 428 7.737 7.009 -1.276 1.00 0.00 H new ATOM 0 HG13 VAL A 428 8.477 7.829 -2.671 1.00 0.00 H new ATOM 0 HG21 VAL A 428 5.860 9.130 -3.661 1.00 0.00 H new ATOM 0 HG22 VAL A 428 7.012 8.301 -4.735 1.00 0.00 H new ATOM 0 HG23 VAL A 428 5.307 7.793 -4.697 1.00 0.00 H new ATOM 754 N SER A 429 6.505 4.412 -1.635 1.00 0.00 N ATOM 755 CA SER A 429 6.901 3.552 -0.527 1.00 0.00 C ATOM 756 C SER A 429 6.080 2.265 -0.519 1.00 0.00 C ATOM 757 O SER A 429 4.895 2.270 -0.850 1.00 0.00 O ATOM 758 CB SER A 429 6.733 4.287 0.803 1.00 0.00 C ATOM 759 OG SER A 429 7.270 3.532 1.875 1.00 0.00 O ATOM 0 H SER A 429 5.500 4.574 -1.705 1.00 0.00 H new ATOM 0 HA SER A 429 7.951 3.292 -0.658 1.00 0.00 H new ATOM 0 HB2 SER A 429 7.230 5.256 0.752 1.00 0.00 H new ATOM 0 HB3 SER A 429 5.676 4.480 0.984 1.00 0.00 H new ATOM 0 HG SER A 429 7.713 4.134 2.509 1.00 0.00 H new ATOM 765 N ALA A 430 6.719 1.165 -0.135 1.00 0.00 N ATOM 766 CA ALA A 430 6.049 -0.128 -0.080 1.00 0.00 C ATOM 767 C ALA A 430 6.807 -1.102 0.816 1.00 0.00 C ATOM 768 O ALA A 430 7.907 -1.541 0.482 1.00 0.00 O ATOM 769 CB ALA A 430 5.899 -0.705 -1.481 1.00 0.00 C ATOM 0 H ALA A 430 7.700 1.144 0.143 1.00 0.00 H new ATOM 0 HA ALA A 430 5.058 0.023 0.348 1.00 0.00 H new ATOM 0 HB1 ALA A 430 5.397 -1.671 -1.425 1.00 0.00 H new ATOM 0 HB2 ALA A 430 5.308 -0.024 -2.094 1.00 0.00 H new ATOM 0 HB3 ALA A 430 6.884 -0.834 -1.929 1.00 0.00 H new ATOM 775 N LYS A 431 6.211 -1.434 1.957 1.00 0.00 N ATOM 776 CA LYS A 431 6.830 -2.357 2.902 1.00 0.00 C ATOM 777 C LYS A 431 5.784 -2.965 3.832 1.00 0.00 C ATOM 778 O LYS A 431 4.919 -2.261 4.353 1.00 0.00 O ATOM 779 CB LYS A 431 7.900 -1.635 3.724 1.00 0.00 C ATOM 780 CG LYS A 431 8.426 -2.454 4.890 1.00 0.00 C ATOM 781 CD LYS A 431 7.620 -2.205 6.154 1.00 0.00 C ATOM 782 CE LYS A 431 8.475 -2.369 7.401 1.00 0.00 C ATOM 783 NZ LYS A 431 8.857 -3.790 7.629 1.00 0.00 N ATOM 0 H LYS A 431 5.301 -1.078 2.249 1.00 0.00 H new ATOM 0 HA LYS A 431 7.298 -3.161 2.334 1.00 0.00 H new ATOM 0 HB2 LYS A 431 8.732 -1.372 3.071 1.00 0.00 H new ATOM 0 HB3 LYS A 431 7.486 -0.701 4.104 1.00 0.00 H new ATOM 0 HG2 LYS A 431 8.390 -3.514 4.637 1.00 0.00 H new ATOM 0 HG3 LYS A 431 9.472 -2.204 5.069 1.00 0.00 H new ATOM 0 HD2 LYS A 431 7.202 -1.199 6.128 1.00 0.00 H new ATOM 0 HD3 LYS A 431 6.780 -2.898 6.194 1.00 0.00 H new ATOM 0 HE2 LYS A 431 9.375 -1.762 7.306 1.00 0.00 H new ATOM 0 HE3 LYS A 431 7.929 -1.996 8.267 1.00 0.00 H new ATOM 0 HZ1 LYS A 431 9.018 -3.948 8.644 1.00 0.00 H new ATOM 0 HZ2 LYS A 431 8.092 -4.412 7.299 1.00 0.00 H new ATOM 0 HZ3 LYS A 431 9.728 -4.004 7.103 1.00 0.00 H new ATOM 797 N VAL A 432 5.871 -4.275 4.036 1.00 0.00 N ATOM 798 CA VAL A 432 4.934 -4.977 4.906 1.00 0.00 C ATOM 799 C VAL A 432 5.439 -5.013 6.343 1.00 0.00 C ATOM 800 O VAL A 432 6.637 -5.155 6.588 1.00 0.00 O ATOM 801 CB VAL A 432 4.692 -6.419 4.421 1.00 0.00 C ATOM 802 CG1 VAL A 432 3.730 -7.141 5.352 1.00 0.00 C ATOM 803 CG2 VAL A 432 4.168 -6.421 2.994 1.00 0.00 C ATOM 0 H VAL A 432 6.580 -4.872 3.611 1.00 0.00 H new ATOM 0 HA VAL A 432 3.994 -4.426 4.869 1.00 0.00 H new ATOM 0 HB VAL A 432 5.643 -6.952 4.435 1.00 0.00 H new ATOM 0 HG11 VAL A 432 3.571 -8.158 4.993 1.00 0.00 H new ATOM 0 HG12 VAL A 432 4.151 -7.172 6.357 1.00 0.00 H new ATOM 0 HG13 VAL A 432 2.778 -6.611 5.374 1.00 0.00 H new ATOM 0 HG21 VAL A 432 4.003 -7.448 2.668 1.00 0.00 H new ATOM 0 HG22 VAL A 432 3.228 -5.871 2.951 1.00 0.00 H new ATOM 0 HG23 VAL A 432 4.897 -5.945 2.338 1.00 0.00 H new ATOM 813 N PHE A 433 4.518 -4.881 7.291 1.00 0.00 N ATOM 814 CA PHE A 433 4.869 -4.899 8.707 1.00 0.00 C ATOM 815 C PHE A 433 4.972 -6.331 9.224 1.00 0.00 C ATOM 816 O PHE A 433 4.218 -7.209 8.804 1.00 0.00 O ATOM 817 CB PHE A 433 3.832 -4.122 9.521 1.00 0.00 C ATOM 818 CG PHE A 433 4.003 -2.633 9.444 1.00 0.00 C ATOM 819 CD1 PHE A 433 4.369 -2.024 8.254 1.00 0.00 C ATOM 820 CD2 PHE A 433 3.797 -1.840 10.562 1.00 0.00 C ATOM 821 CE1 PHE A 433 4.526 -0.653 8.179 1.00 0.00 C ATOM 822 CE2 PHE A 433 3.952 -0.468 10.493 1.00 0.00 C ATOM 823 CZ PHE A 433 4.318 0.126 9.301 1.00 0.00 C ATOM 0 H PHE A 433 3.522 -4.760 7.105 1.00 0.00 H new ATOM 0 HA PHE A 433 5.842 -4.421 8.821 1.00 0.00 H new ATOM 0 HB2 PHE A 433 2.834 -4.384 9.168 1.00 0.00 H new ATOM 0 HB3 PHE A 433 3.893 -4.433 10.564 1.00 0.00 H new ATOM 0 HD1 PHE A 433 4.534 -2.628 7.374 1.00 0.00 H new ATOM 0 HD2 PHE A 433 3.512 -2.299 11.497 1.00 0.00 H new ATOM 0 HE1 PHE A 433 4.811 -0.191 7.245 1.00 0.00 H new ATOM 0 HE2 PHE A 433 3.787 0.139 11.371 1.00 0.00 H new ATOM 0 HZ PHE A 433 4.441 1.198 9.246 1.00 0.00 H new ATOM 983 N CYS A 443 -0.018 -9.462 8.141 1.00 0.00 N ATOM 984 CA CYS A 443 -1.149 -9.492 7.218 1.00 0.00 C ATOM 985 C CYS A 443 -1.560 -8.080 6.816 1.00 0.00 C ATOM 986 O CYS A 443 -2.720 -7.829 6.487 1.00 0.00 O ATOM 987 CB CYS A 443 -2.334 -10.220 7.855 1.00 0.00 C ATOM 988 SG CYS A 443 -2.085 -12.000 8.058 1.00 0.00 S ATOM 0 HA CYS A 443 -0.841 -10.030 6.321 1.00 0.00 H new ATOM 0 HB2 CYS A 443 -2.536 -9.779 8.831 1.00 0.00 H new ATOM 0 HB3 CYS A 443 -3.220 -10.056 7.242 1.00 0.00 H new ATOM 0 HG CYS A 443 -2.283 -12.598 6.921 1.00 0.00 H new ATOM 994 N PHE A 444 -0.603 -7.159 6.846 1.00 0.00 N ATOM 995 CA PHE A 444 -0.866 -5.770 6.487 1.00 0.00 C ATOM 996 C PHE A 444 0.434 -5.032 6.182 1.00 0.00 C ATOM 997 O PHE A 444 1.443 -5.221 6.861 1.00 0.00 O ATOM 998 CB PHE A 444 -1.615 -5.063 7.617 1.00 0.00 C ATOM 999 CG PHE A 444 -0.723 -4.613 8.739 1.00 0.00 C ATOM 1000 CD1 PHE A 444 0.084 -3.496 8.594 1.00 0.00 C ATOM 1001 CD2 PHE A 444 -0.692 -5.308 9.937 1.00 0.00 C ATOM 1002 CE1 PHE A 444 0.906 -3.081 9.625 1.00 0.00 C ATOM 1003 CE2 PHE A 444 0.130 -4.897 10.971 1.00 0.00 C ATOM 1004 CZ PHE A 444 0.928 -3.782 10.816 1.00 0.00 C ATOM 0 H PHE A 444 0.362 -7.349 7.115 1.00 0.00 H new ATOM 0 HA PHE A 444 -1.486 -5.763 5.590 1.00 0.00 H new ATOM 0 HB2 PHE A 444 -2.138 -4.197 7.210 1.00 0.00 H new ATOM 0 HB3 PHE A 444 -2.375 -5.736 8.015 1.00 0.00 H new ATOM 0 HD1 PHE A 444 0.071 -2.944 7.666 1.00 0.00 H new ATOM 0 HD2 PHE A 444 -1.316 -6.180 10.065 1.00 0.00 H new ATOM 0 HE1 PHE A 444 1.531 -2.209 9.500 1.00 0.00 H new ATOM 0 HE2 PHE A 444 0.147 -5.449 11.899 1.00 0.00 H new ATOM 0 HZ PHE A 444 1.568 -3.458 11.623 1.00 0.00 H new ATOM 1014 N GLY A 445 0.402 -4.188 5.155 1.00 0.00 N ATOM 1015 CA GLY A 445 1.583 -3.433 4.778 1.00 0.00 C ATOM 1016 C GLY A 445 1.293 -1.957 4.592 1.00 0.00 C ATOM 1017 O GLY A 445 0.144 -1.526 4.685 1.00 0.00 O ATOM 0 H GLY A 445 -0.420 -4.014 4.577 1.00 0.00 H new ATOM 0 HA2 GLY A 445 2.349 -3.556 5.544 1.00 0.00 H new ATOM 0 HA3 GLY A 445 1.990 -3.840 3.852 1.00 0.00 H new ATOM 1021 N PHE A 446 2.338 -1.179 4.329 1.00 0.00 N ATOM 1022 CA PHE A 446 2.190 0.258 4.133 1.00 0.00 C ATOM 1023 C PHE A 446 2.576 0.655 2.711 1.00 0.00 C ATOM 1024 O PHE A 446 3.372 -0.021 2.060 1.00 0.00 O ATOM 1025 CB PHE A 446 3.051 1.023 5.140 1.00 0.00 C ATOM 1026 CG PHE A 446 3.157 2.492 4.844 1.00 0.00 C ATOM 1027 CD1 PHE A 446 2.030 3.297 4.851 1.00 0.00 C ATOM 1028 CD2 PHE A 446 4.385 3.068 4.561 1.00 0.00 C ATOM 1029 CE1 PHE A 446 2.125 4.648 4.578 1.00 0.00 C ATOM 1030 CE2 PHE A 446 4.486 4.419 4.288 1.00 0.00 C ATOM 1031 CZ PHE A 446 3.354 5.210 4.297 1.00 0.00 C ATOM 0 H PHE A 446 3.296 -1.520 4.247 1.00 0.00 H new ATOM 0 HA PHE A 446 1.143 0.515 4.292 1.00 0.00 H new ATOM 0 HB2 PHE A 446 2.633 0.891 6.138 1.00 0.00 H new ATOM 0 HB3 PHE A 446 4.051 0.590 5.154 1.00 0.00 H new ATOM 0 HD1 PHE A 446 1.066 2.864 5.072 1.00 0.00 H new ATOM 0 HD2 PHE A 446 5.274 2.454 4.554 1.00 0.00 H new ATOM 0 HE1 PHE A 446 1.238 5.264 4.584 1.00 0.00 H new ATOM 0 HE2 PHE A 446 5.449 4.856 4.068 1.00 0.00 H new ATOM 0 HZ PHE A 446 3.430 6.266 4.085 1.00 0.00 H new ATOM 1041 N VAL A 447 2.006 1.758 2.235 1.00 0.00 N ATOM 1042 CA VAL A 447 2.290 2.246 0.891 1.00 0.00 C ATOM 1043 C VAL A 447 2.056 3.750 0.792 1.00 0.00 C ATOM 1044 O VAL A 447 1.213 4.305 1.497 1.00 0.00 O ATOM 1045 CB VAL A 447 1.422 1.532 -0.161 1.00 0.00 C ATOM 1046 CG1 VAL A 447 1.729 2.060 -1.555 1.00 0.00 C ATOM 1047 CG2 VAL A 447 1.633 0.027 -0.093 1.00 0.00 C ATOM 0 H VAL A 447 1.345 2.330 2.760 1.00 0.00 H new ATOM 0 HA VAL A 447 3.340 2.030 0.691 1.00 0.00 H new ATOM 0 HB VAL A 447 0.374 1.739 0.057 1.00 0.00 H new ATOM 0 HG11 VAL A 447 1.106 1.543 -2.285 1.00 0.00 H new ATOM 0 HG12 VAL A 447 1.522 3.129 -1.593 1.00 0.00 H new ATOM 0 HG13 VAL A 447 2.780 1.886 -1.787 1.00 0.00 H new ATOM 0 HG21 VAL A 447 1.012 -0.462 -0.843 1.00 0.00 H new ATOM 0 HG22 VAL A 447 2.681 -0.202 -0.284 1.00 0.00 H new ATOM 0 HG23 VAL A 447 1.357 -0.335 0.898 1.00 0.00 H new ATOM 1057 N SER A 448 2.808 4.404 -0.087 1.00 0.00 N ATOM 1058 CA SER A 448 2.685 5.844 -0.277 1.00 0.00 C ATOM 1059 C SER A 448 2.961 6.227 -1.728 1.00 0.00 C ATOM 1060 O SER A 448 3.847 5.665 -2.372 1.00 0.00 O ATOM 1061 CB SER A 448 3.650 6.586 0.649 1.00 0.00 C ATOM 1062 OG SER A 448 4.929 6.718 0.055 1.00 0.00 O ATOM 0 H SER A 448 3.509 3.959 -0.679 1.00 0.00 H new ATOM 0 HA SER A 448 1.663 6.131 -0.032 1.00 0.00 H new ATOM 0 HB2 SER A 448 3.250 7.573 0.880 1.00 0.00 H new ATOM 0 HB3 SER A 448 3.738 6.048 1.593 1.00 0.00 H new ATOM 0 HG SER A 448 5.152 7.668 -0.034 1.00 0.00 H new ATOM 1068 N TYR A 449 2.195 7.187 -2.235 1.00 0.00 N ATOM 1069 CA TYR A 449 2.354 7.644 -3.611 1.00 0.00 C ATOM 1070 C TYR A 449 2.901 9.066 -3.651 1.00 0.00 C ATOM 1071 O TYR A 449 2.986 9.742 -2.625 1.00 0.00 O ATOM 1072 CB TYR A 449 1.016 7.578 -4.350 1.00 0.00 C ATOM 1073 CG TYR A 449 0.665 6.195 -4.847 1.00 0.00 C ATOM 1074 CD1 TYR A 449 0.789 5.086 -4.018 1.00 0.00 C ATOM 1075 CD2 TYR A 449 0.212 5.995 -6.145 1.00 0.00 C ATOM 1076 CE1 TYR A 449 0.470 3.818 -4.469 1.00 0.00 C ATOM 1077 CE2 TYR A 449 -0.110 4.733 -6.603 1.00 0.00 C ATOM 1078 CZ TYR A 449 0.021 3.648 -5.761 1.00 0.00 C ATOM 1079 OH TYR A 449 -0.298 2.388 -6.215 1.00 0.00 O ATOM 0 H TYR A 449 1.458 7.663 -1.714 1.00 0.00 H new ATOM 0 HA TYR A 449 3.067 6.986 -4.107 1.00 0.00 H new ATOM 0 HB2 TYR A 449 0.226 7.927 -3.685 1.00 0.00 H new ATOM 0 HB3 TYR A 449 1.045 8.263 -5.198 1.00 0.00 H new ATOM 0 HD1 TYR A 449 1.140 5.217 -3.005 1.00 0.00 H new ATOM 0 HD2 TYR A 449 0.110 6.842 -6.808 1.00 0.00 H new ATOM 0 HE1 TYR A 449 0.572 2.966 -3.813 1.00 0.00 H new ATOM 0 HE2 TYR A 449 -0.462 4.596 -7.615 1.00 0.00 H new ATOM 0 HH TYR A 449 0.243 2.178 -7.005 1.00 0.00 H new ATOM 1089 N ASP A 450 3.272 9.517 -4.846 1.00 0.00 N ATOM 1090 CA ASP A 450 3.811 10.860 -5.024 1.00 0.00 C ATOM 1091 C ASP A 450 2.743 11.913 -4.749 1.00 0.00 C ATOM 1092 O ASP A 450 3.055 13.047 -4.386 1.00 0.00 O ATOM 1093 CB ASP A 450 4.360 11.029 -6.442 1.00 0.00 C ATOM 1094 CG ASP A 450 5.823 10.648 -6.545 1.00 0.00 C ATOM 1095 OD1 ASP A 450 6.665 11.364 -5.965 1.00 0.00 O ATOM 1096 OD2 ASP A 450 6.127 9.633 -7.208 1.00 0.00 O ATOM 0 H ASP A 450 3.209 8.971 -5.705 1.00 0.00 H new ATOM 0 HA ASP A 450 4.624 10.997 -4.311 1.00 0.00 H new ATOM 0 HB2 ASP A 450 3.778 10.415 -7.129 1.00 0.00 H new ATOM 0 HB3 ASP A 450 4.234 12.065 -6.756 1.00 0.00 H new ATOM 1101 N ASN A 451 1.482 11.532 -4.926 1.00 0.00 N ATOM 1102 CA ASN A 451 0.368 12.445 -4.698 1.00 0.00 C ATOM 1103 C ASN A 451 -0.822 11.710 -4.089 1.00 0.00 C ATOM 1104 O ASN A 451 -0.966 10.495 -4.221 1.00 0.00 O ATOM 1105 CB ASN A 451 -0.047 13.112 -6.011 1.00 0.00 C ATOM 1106 CG ASN A 451 0.018 12.160 -7.190 1.00 0.00 C ATOM 1107 OD1 ASN A 451 1.042 11.521 -7.429 1.00 0.00 O ATOM 1108 ND2 ASN A 451 -1.079 12.061 -7.932 1.00 0.00 N ATOM 0 H ASN A 451 1.206 10.597 -5.227 1.00 0.00 H new ATOM 0 HA ASN A 451 0.696 13.212 -3.996 1.00 0.00 H new ATOM 0 HB2 ASN A 451 -1.062 13.497 -5.914 1.00 0.00 H new ATOM 0 HB3 ASN A 451 0.602 13.967 -6.202 1.00 0.00 H new ATOM 0 HD21 ASN A 451 -1.095 11.436 -8.738 1.00 0.00 H new ATOM 0 HD22 ASN A 451 -1.905 12.610 -7.696 1.00 0.00 H new ATOM 1115 N PRO A 452 -1.695 12.464 -3.405 1.00 0.00 N ATOM 1116 CA PRO A 452 -2.889 11.906 -2.763 1.00 0.00 C ATOM 1117 C PRO A 452 -3.986 11.572 -3.768 1.00 0.00 C ATOM 1118 O PRO A 452 -4.863 10.752 -3.495 1.00 0.00 O ATOM 1119 CB PRO A 452 -3.346 13.027 -1.826 1.00 0.00 C ATOM 1120 CG PRO A 452 -2.856 14.279 -2.468 1.00 0.00 C ATOM 1121 CD PRO A 452 -1.586 13.919 -3.207 1.00 0.00 C ATOM 0 HA PRO A 452 -2.675 10.967 -2.253 1.00 0.00 H new ATOM 0 HB2 PRO A 452 -4.431 13.035 -1.718 1.00 0.00 H new ATOM 0 HB3 PRO A 452 -2.927 12.904 -0.827 1.00 0.00 H new ATOM 0 HG2 PRO A 452 -3.602 14.680 -3.154 1.00 0.00 H new ATOM 0 HG3 PRO A 452 -2.664 15.048 -1.720 1.00 0.00 H new ATOM 0 HD2 PRO A 452 -1.513 14.448 -4.157 1.00 0.00 H new ATOM 0 HD3 PRO A 452 -0.699 14.179 -2.629 1.00 0.00 H new ATOM 1129 N VAL A 453 -3.931 12.212 -4.931 1.00 0.00 N ATOM 1130 CA VAL A 453 -4.920 11.982 -5.978 1.00 0.00 C ATOM 1131 C VAL A 453 -4.716 10.622 -6.637 1.00 0.00 C ATOM 1132 O VAL A 453 -5.677 9.910 -6.926 1.00 0.00 O ATOM 1133 CB VAL A 453 -4.858 13.078 -7.059 1.00 0.00 C ATOM 1134 CG1 VAL A 453 -5.870 12.798 -8.161 1.00 0.00 C ATOM 1135 CG2 VAL A 453 -5.096 14.448 -6.441 1.00 0.00 C ATOM 0 H VAL A 453 -3.212 12.894 -5.173 1.00 0.00 H new ATOM 0 HA VAL A 453 -5.899 12.008 -5.500 1.00 0.00 H new ATOM 0 HB VAL A 453 -3.862 13.072 -7.503 1.00 0.00 H new ATOM 0 HG11 VAL A 453 -5.812 13.582 -8.916 1.00 0.00 H new ATOM 0 HG12 VAL A 453 -5.650 11.835 -8.621 1.00 0.00 H new ATOM 0 HG13 VAL A 453 -6.874 12.776 -7.736 1.00 0.00 H new ATOM 0 HG21 VAL A 453 -5.049 15.211 -7.218 1.00 0.00 H new ATOM 0 HG22 VAL A 453 -6.079 14.469 -5.971 1.00 0.00 H new ATOM 0 HG23 VAL A 453 -4.331 14.647 -5.691 1.00 0.00 H new ATOM 1145 N SER A 454 -3.456 10.267 -6.871 1.00 0.00 N ATOM 1146 CA SER A 454 -3.125 8.994 -7.500 1.00 0.00 C ATOM 1147 C SER A 454 -3.344 7.837 -6.530 1.00 0.00 C ATOM 1148 O SER A 454 -3.878 6.793 -6.902 1.00 0.00 O ATOM 1149 CB SER A 454 -1.674 9.001 -7.983 1.00 0.00 C ATOM 1150 OG SER A 454 -1.582 9.480 -9.313 1.00 0.00 O ATOM 0 H SER A 454 -2.648 10.843 -6.634 1.00 0.00 H new ATOM 0 HA SER A 454 -3.785 8.858 -8.357 1.00 0.00 H new ATOM 0 HB2 SER A 454 -1.071 9.627 -7.325 1.00 0.00 H new ATOM 0 HB3 SER A 454 -1.264 7.993 -7.927 1.00 0.00 H new ATOM 0 HG SER A 454 -0.644 9.476 -9.598 1.00 0.00 H new ATOM 1156 N ALA A 455 -2.926 8.031 -5.283 1.00 0.00 N ATOM 1157 CA ALA A 455 -3.078 7.005 -4.258 1.00 0.00 C ATOM 1158 C ALA A 455 -4.522 6.524 -4.173 1.00 0.00 C ATOM 1159 O ALA A 455 -4.780 5.326 -4.055 1.00 0.00 O ATOM 1160 CB ALA A 455 -2.615 7.535 -2.909 1.00 0.00 C ATOM 0 H ALA A 455 -2.480 8.889 -4.958 1.00 0.00 H new ATOM 0 HA ALA A 455 -2.455 6.154 -4.535 1.00 0.00 H new ATOM 0 HB1 ALA A 455 -2.734 6.759 -2.153 1.00 0.00 H new ATOM 0 HB2 ALA A 455 -1.566 7.823 -2.972 1.00 0.00 H new ATOM 0 HB3 ALA A 455 -3.213 8.404 -2.635 1.00 0.00 H new ATOM 1166 N GLN A 456 -5.459 7.464 -4.233 1.00 0.00 N ATOM 1167 CA GLN A 456 -6.878 7.135 -4.161 1.00 0.00 C ATOM 1168 C GLN A 456 -7.247 6.089 -5.208 1.00 0.00 C ATOM 1169 O GLN A 456 -7.962 5.131 -4.916 1.00 0.00 O ATOM 1170 CB GLN A 456 -7.726 8.392 -4.357 1.00 0.00 C ATOM 1171 CG GLN A 456 -7.911 9.204 -3.085 1.00 0.00 C ATOM 1172 CD GLN A 456 -9.098 8.741 -2.264 1.00 0.00 C ATOM 1173 OE1 GLN A 456 -8.846 8.380 -1.012 1.00 0.00 O flip ATOM 1174 NE2 GLN A 456 -10.229 8.706 -2.750 1.00 0.00 N flip ATOM 0 H GLN A 456 -5.262 8.460 -4.331 1.00 0.00 H new ATOM 0 HA GLN A 456 -7.080 6.721 -3.173 1.00 0.00 H new ATOM 0 HB2 GLN A 456 -7.259 9.021 -5.115 1.00 0.00 H new ATOM 0 HB3 GLN A 456 -8.705 8.104 -4.740 1.00 0.00 H new ATOM 0 HG2 GLN A 456 -7.007 9.135 -2.480 1.00 0.00 H new ATOM 0 HG3 GLN A 456 -8.042 10.254 -3.345 1.00 0.00 H new ATOM 0 HE21 GLN A 456 -10.377 8.993 -3.718 1.00 0.00 H new ATOM 0 HE22 GLN A 456 -11.017 8.390 -2.185 1.00 0.00 H new ATOM 1183 N ALA A 457 -6.757 6.281 -6.428 1.00 0.00 N ATOM 1184 CA ALA A 457 -7.034 5.354 -7.518 1.00 0.00 C ATOM 1185 C ALA A 457 -6.907 3.907 -7.054 1.00 0.00 C ATOM 1186 O ALA A 457 -7.736 3.062 -7.392 1.00 0.00 O ATOM 1187 CB ALA A 457 -6.097 5.619 -8.687 1.00 0.00 C ATOM 0 H ALA A 457 -6.166 7.071 -6.686 1.00 0.00 H new ATOM 0 HA ALA A 457 -8.061 5.514 -7.846 1.00 0.00 H new ATOM 0 HB1 ALA A 457 -6.315 4.919 -9.494 1.00 0.00 H new ATOM 0 HB2 ALA A 457 -6.239 6.639 -9.043 1.00 0.00 H new ATOM 0 HB3 ALA A 457 -5.065 5.488 -8.363 1.00 0.00 H new ATOM 1193 N ALA A 458 -5.864 3.629 -6.277 1.00 0.00 N ATOM 1194 CA ALA A 458 -5.632 2.284 -5.765 1.00 0.00 C ATOM 1195 C ALA A 458 -6.820 1.794 -4.946 1.00 0.00 C ATOM 1196 O ALA A 458 -7.508 0.850 -5.337 1.00 0.00 O ATOM 1197 CB ALA A 458 -4.361 2.251 -4.928 1.00 0.00 C ATOM 0 H ALA A 458 -5.168 4.317 -5.989 1.00 0.00 H new ATOM 0 HA ALA A 458 -5.512 1.614 -6.616 1.00 0.00 H new ATOM 0 HB1 ALA A 458 -4.199 1.241 -4.552 1.00 0.00 H new ATOM 0 HB2 ALA A 458 -3.512 2.549 -5.543 1.00 0.00 H new ATOM 0 HB3 ALA A 458 -4.460 2.939 -4.089 1.00 0.00 H new ATOM 1203 N ILE A 459 -7.055 2.439 -3.809 1.00 0.00 N ATOM 1204 CA ILE A 459 -8.161 2.069 -2.935 1.00 0.00 C ATOM 1205 C ILE A 459 -9.467 1.963 -3.716 1.00 0.00 C ATOM 1206 O ILE A 459 -10.195 0.977 -3.597 1.00 0.00 O ATOM 1207 CB ILE A 459 -8.342 3.085 -1.792 1.00 0.00 C ATOM 1208 CG1 ILE A 459 -7.049 3.206 -0.981 1.00 0.00 C ATOM 1209 CG2 ILE A 459 -9.499 2.674 -0.895 1.00 0.00 C ATOM 1210 CD1 ILE A 459 -7.000 4.438 -0.104 1.00 0.00 C ATOM 0 H ILE A 459 -6.494 3.221 -3.471 1.00 0.00 H new ATOM 0 HA ILE A 459 -7.914 1.097 -2.509 1.00 0.00 H new ATOM 0 HB ILE A 459 -8.572 4.059 -2.224 1.00 0.00 H new ATOM 0 HG12 ILE A 459 -6.937 2.320 -0.356 1.00 0.00 H new ATOM 0 HG13 ILE A 459 -6.201 3.223 -1.665 1.00 0.00 H new ATOM 0 HG21 ILE A 459 -9.614 3.402 -0.092 1.00 0.00 H new ATOM 0 HG22 ILE A 459 -10.417 2.633 -1.481 1.00 0.00 H new ATOM 0 HG23 ILE A 459 -9.297 1.692 -0.468 1.00 0.00 H new ATOM 0 HD11 ILE A 459 -6.057 4.459 0.441 1.00 0.00 H new ATOM 0 HD12 ILE A 459 -7.080 5.330 -0.725 1.00 0.00 H new ATOM 0 HD13 ILE A 459 -7.828 4.414 0.604 1.00 0.00 H new ATOM 1222 N GLN A 460 -9.756 2.984 -4.516 1.00 0.00 N ATOM 1223 CA GLN A 460 -10.973 3.005 -5.318 1.00 0.00 C ATOM 1224 C GLN A 460 -11.347 1.599 -5.778 1.00 0.00 C ATOM 1225 O GLN A 460 -12.514 1.211 -5.735 1.00 0.00 O ATOM 1226 CB GLN A 460 -10.795 3.920 -6.531 1.00 0.00 C ATOM 1227 CG GLN A 460 -10.862 5.401 -6.190 1.00 0.00 C ATOM 1228 CD GLN A 460 -11.177 6.263 -7.396 1.00 0.00 C ATOM 1229 OE1 GLN A 460 -10.174 6.976 -7.895 1.00 0.00 O flip ATOM 1230 NE2 GLN A 460 -12.311 6.289 -7.876 1.00 0.00 N flip ATOM 0 H GLN A 460 -9.164 3.807 -4.626 1.00 0.00 H new ATOM 0 HA GLN A 460 -11.780 3.391 -4.696 1.00 0.00 H new ATOM 0 HB2 GLN A 460 -9.834 3.706 -6.999 1.00 0.00 H new ATOM 0 HB3 GLN A 460 -11.566 3.689 -7.266 1.00 0.00 H new ATOM 0 HG2 GLN A 460 -11.623 5.560 -5.426 1.00 0.00 H new ATOM 0 HG3 GLN A 460 -9.910 5.715 -5.762 1.00 0.00 H new ATOM 0 HE21 GLN A 460 -13.053 5.725 -7.462 1.00 0.00 H new ATOM 0 HE22 GLN A 460 -12.508 6.874 -8.688 1.00 0.00 H new ATOM 1239 N SER A 461 -10.348 0.842 -6.219 1.00 0.00 N ATOM 1240 CA SER A 461 -10.573 -0.520 -6.691 1.00 0.00 C ATOM 1241 C SER A 461 -10.149 -1.538 -5.636 1.00 0.00 C ATOM 1242 O SER A 461 -10.947 -2.371 -5.207 1.00 0.00 O ATOM 1243 CB SER A 461 -9.803 -0.765 -7.990 1.00 0.00 C ATOM 1244 OG SER A 461 -9.925 -2.113 -8.409 1.00 0.00 O ATOM 0 H SER A 461 -9.376 1.148 -6.260 1.00 0.00 H new ATOM 0 HA SER A 461 -11.640 -0.641 -6.880 1.00 0.00 H new ATOM 0 HB2 SER A 461 -10.180 -0.103 -8.770 1.00 0.00 H new ATOM 0 HB3 SER A 461 -8.751 -0.520 -7.844 1.00 0.00 H new ATOM 0 HG SER A 461 -9.425 -2.243 -9.242 1.00 0.00 H new ATOM 1250 N MET A 462 -8.889 -1.461 -5.222 1.00 0.00 N ATOM 1251 CA MET A 462 -8.358 -2.375 -4.216 1.00 0.00 C ATOM 1252 C MET A 462 -9.343 -2.544 -3.063 1.00 0.00 C ATOM 1253 O MET A 462 -9.631 -3.663 -2.640 1.00 0.00 O ATOM 1254 CB MET A 462 -7.018 -1.862 -3.686 1.00 0.00 C ATOM 1255 CG MET A 462 -5.946 -1.746 -4.757 1.00 0.00 C ATOM 1256 SD MET A 462 -5.892 -3.183 -5.844 1.00 0.00 S ATOM 1257 CE MET A 462 -5.267 -4.433 -4.724 1.00 0.00 C ATOM 0 H MET A 462 -8.216 -0.776 -5.567 1.00 0.00 H new ATOM 0 HA MET A 462 -8.206 -3.346 -4.687 1.00 0.00 H new ATOM 0 HB2 MET A 462 -7.168 -0.885 -3.226 1.00 0.00 H new ATOM 0 HB3 MET A 462 -6.666 -2.532 -2.902 1.00 0.00 H new ATOM 0 HG2 MET A 462 -6.128 -0.851 -5.353 1.00 0.00 H new ATOM 0 HG3 MET A 462 -4.974 -1.619 -4.280 1.00 0.00 H new ATOM 0 HE1 MET A 462 -4.863 -5.267 -5.298 1.00 0.00 H new ATOM 0 HE2 MET A 462 -4.480 -4.005 -4.103 1.00 0.00 H new ATOM 0 HE3 MET A 462 -6.077 -4.790 -4.088 1.00 0.00 H new ATOM 1267 N ASN A 463 -9.855 -1.426 -2.559 1.00 0.00 N ATOM 1268 CA ASN A 463 -10.807 -1.451 -1.454 1.00 0.00 C ATOM 1269 C ASN A 463 -11.804 -2.593 -1.622 1.00 0.00 C ATOM 1270 O ASN A 463 -12.760 -2.489 -2.388 1.00 0.00 O ATOM 1271 CB ASN A 463 -11.552 -0.118 -1.364 1.00 0.00 C ATOM 1272 CG ASN A 463 -12.809 -0.214 -0.521 1.00 0.00 C ATOM 1273 OD1 ASN A 463 -12.793 -0.776 0.574 1.00 0.00 O ATOM 1274 ND2 ASN A 463 -13.905 0.337 -1.028 1.00 0.00 N ATOM 0 H ASN A 463 -9.627 -0.491 -2.898 1.00 0.00 H new ATOM 0 HA ASN A 463 -10.250 -1.611 -0.531 1.00 0.00 H new ATOM 0 HB2 ASN A 463 -10.890 0.637 -0.940 1.00 0.00 H new ATOM 0 HB3 ASN A 463 -11.815 0.216 -2.367 1.00 0.00 H new ATOM 0 HD21 ASN A 463 -14.780 0.305 -0.506 1.00 0.00 H new ATOM 0 HD22 ASN A 463 -13.872 0.793 -1.940 1.00 0.00 H new ATOM 1281 N GLY A 464 -11.574 -3.684 -0.897 1.00 0.00 N ATOM 1282 CA GLY A 464 -12.461 -4.831 -0.979 1.00 0.00 C ATOM 1283 C GLY A 464 -12.171 -5.703 -2.185 1.00 0.00 C ATOM 1284 O GLY A 464 -13.087 -6.239 -2.807 1.00 0.00 O ATOM 0 H GLY A 464 -10.790 -3.794 -0.254 1.00 0.00 H new ATOM 0 HA2 GLY A 464 -12.364 -5.427 -0.072 1.00 0.00 H new ATOM 0 HA3 GLY A 464 -13.494 -4.485 -1.024 1.00 0.00 H new ATOM 1288 N PHE A 465 -10.892 -5.844 -2.516 1.00 0.00 N ATOM 1289 CA PHE A 465 -10.483 -6.656 -3.657 1.00 0.00 C ATOM 1290 C PHE A 465 -10.528 -8.141 -3.312 1.00 0.00 C ATOM 1291 O PHE A 465 -9.781 -8.612 -2.455 1.00 0.00 O ATOM 1292 CB PHE A 465 -9.074 -6.268 -4.107 1.00 0.00 C ATOM 1293 CG PHE A 465 -8.506 -7.182 -5.155 1.00 0.00 C ATOM 1294 CD1 PHE A 465 -8.763 -6.963 -6.498 1.00 0.00 C ATOM 1295 CD2 PHE A 465 -7.714 -8.261 -4.795 1.00 0.00 C ATOM 1296 CE1 PHE A 465 -8.242 -7.804 -7.464 1.00 0.00 C ATOM 1297 CE2 PHE A 465 -7.190 -9.106 -5.756 1.00 0.00 C ATOM 1298 CZ PHE A 465 -7.454 -8.876 -7.092 1.00 0.00 C ATOM 0 H PHE A 465 -10.121 -5.407 -2.011 1.00 0.00 H new ATOM 0 HA PHE A 465 -11.182 -6.469 -4.473 1.00 0.00 H new ATOM 0 HB2 PHE A 465 -9.093 -5.250 -4.496 1.00 0.00 H new ATOM 0 HB3 PHE A 465 -8.412 -6.266 -3.241 1.00 0.00 H new ATOM 0 HD1 PHE A 465 -9.377 -6.126 -6.794 1.00 0.00 H new ATOM 0 HD2 PHE A 465 -7.504 -8.444 -3.752 1.00 0.00 H new ATOM 0 HE1 PHE A 465 -8.451 -7.623 -8.508 1.00 0.00 H new ATOM 0 HE2 PHE A 465 -6.575 -9.944 -5.462 1.00 0.00 H new ATOM 0 HZ PHE A 465 -7.045 -9.533 -7.845 1.00 0.00 H new ATOM 1308 N GLN A 466 -11.411 -8.873 -3.986 1.00 0.00 N ATOM 1309 CA GLN A 466 -11.554 -10.304 -3.749 1.00 0.00 C ATOM 1310 C GLN A 466 -10.280 -11.050 -4.131 1.00 0.00 C ATOM 1311 O GLN A 466 -10.012 -11.275 -5.312 1.00 0.00 O ATOM 1312 CB GLN A 466 -12.740 -10.857 -4.542 1.00 0.00 C ATOM 1313 CG GLN A 466 -13.166 -12.250 -4.108 1.00 0.00 C ATOM 1314 CD GLN A 466 -12.271 -13.337 -4.671 1.00 0.00 C ATOM 1315 OE1 GLN A 466 -12.243 -13.568 -5.880 1.00 0.00 O ATOM 1316 NE2 GLN A 466 -11.534 -14.010 -3.796 1.00 0.00 N ATOM 0 H GLN A 466 -12.037 -8.498 -4.699 1.00 0.00 H new ATOM 0 HA GLN A 466 -11.735 -10.454 -2.685 1.00 0.00 H new ATOM 0 HB2 GLN A 466 -13.586 -10.178 -4.435 1.00 0.00 H new ATOM 0 HB3 GLN A 466 -12.480 -10.879 -5.600 1.00 0.00 H new ATOM 0 HG2 GLN A 466 -13.158 -12.306 -3.019 1.00 0.00 H new ATOM 0 HG3 GLN A 466 -14.193 -12.428 -4.428 1.00 0.00 H new ATOM 0 HE21 GLN A 466 -11.589 -13.785 -2.803 1.00 0.00 H new ATOM 0 HE22 GLN A 466 -10.913 -14.752 -4.117 1.00 0.00 H new ATOM 1325 N ILE A 467 -9.498 -11.428 -3.126 1.00 0.00 N ATOM 1326 CA ILE A 467 -8.252 -12.150 -3.358 1.00 0.00 C ATOM 1327 C ILE A 467 -8.335 -13.576 -2.825 1.00 0.00 C ATOM 1328 O ILE A 467 -8.968 -13.832 -1.802 1.00 0.00 O ATOM 1329 CB ILE A 467 -7.058 -11.436 -2.698 1.00 0.00 C ATOM 1330 CG1 ILE A 467 -5.752 -12.152 -3.045 1.00 0.00 C ATOM 1331 CG2 ILE A 467 -7.247 -11.369 -1.190 1.00 0.00 C ATOM 1332 CD1 ILE A 467 -4.513 -11.379 -2.650 1.00 0.00 C ATOM 0 H ILE A 467 -9.704 -11.247 -2.144 1.00 0.00 H new ATOM 0 HA ILE A 467 -8.099 -12.177 -4.437 1.00 0.00 H new ATOM 0 HB ILE A 467 -7.006 -10.418 -3.083 1.00 0.00 H new ATOM 0 HG12 ILE A 467 -5.737 -13.123 -2.550 1.00 0.00 H new ATOM 0 HG13 ILE A 467 -5.725 -12.341 -4.118 1.00 0.00 H new ATOM 0 HG21 ILE A 467 -6.394 -10.861 -0.739 1.00 0.00 H new ATOM 0 HG22 ILE A 467 -8.160 -10.818 -0.962 1.00 0.00 H new ATOM 0 HG23 ILE A 467 -7.323 -12.379 -0.788 1.00 0.00 H new ATOM 0 HD11 ILE A 467 -3.625 -11.948 -2.927 1.00 0.00 H new ATOM 0 HD12 ILE A 467 -4.504 -10.419 -3.165 1.00 0.00 H new ATOM 0 HD13 ILE A 467 -4.516 -11.213 -1.573 1.00 0.00 H new ATOM 1344 N GLY A 468 -7.688 -14.502 -3.526 1.00 0.00 N ATOM 1345 CA GLY A 468 -7.699 -15.892 -3.107 1.00 0.00 C ATOM 1346 C GLY A 468 -9.069 -16.347 -2.647 1.00 0.00 C ATOM 1347 O GLY A 468 -9.915 -16.715 -3.463 1.00 0.00 O ATOM 0 H GLY A 468 -7.157 -14.315 -4.376 1.00 0.00 H new ATOM 0 HA2 GLY A 468 -7.370 -16.520 -3.934 1.00 0.00 H new ATOM 0 HA3 GLY A 468 -6.983 -16.030 -2.297 1.00 0.00 H new ATOM 1351 N MET A 469 -9.290 -16.325 -1.337 1.00 0.00 N ATOM 1352 CA MET A 469 -10.568 -16.740 -0.770 1.00 0.00 C ATOM 1353 C MET A 469 -11.155 -15.641 0.109 1.00 0.00 C ATOM 1354 O MET A 469 -12.295 -15.738 0.565 1.00 0.00 O ATOM 1355 CB MET A 469 -10.395 -18.023 0.045 1.00 0.00 C ATOM 1356 CG MET A 469 -10.428 -19.288 -0.797 1.00 0.00 C ATOM 1357 SD MET A 469 -10.241 -20.785 0.188 1.00 0.00 S ATOM 1358 CE MET A 469 -8.481 -20.757 0.516 1.00 0.00 C ATOM 0 H MET A 469 -8.601 -16.024 -0.648 1.00 0.00 H new ATOM 0 HA MET A 469 -11.258 -16.930 -1.592 1.00 0.00 H new ATOM 0 HB2 MET A 469 -9.447 -17.978 0.581 1.00 0.00 H new ATOM 0 HB3 MET A 469 -11.183 -18.076 0.796 1.00 0.00 H new ATOM 0 HG2 MET A 469 -11.371 -19.332 -1.342 1.00 0.00 H new ATOM 0 HG3 MET A 469 -9.632 -19.245 -1.540 1.00 0.00 H new ATOM 0 HE1 MET A 469 -8.078 -21.766 0.425 1.00 0.00 H new ATOM 0 HE2 MET A 469 -7.987 -20.103 -0.203 1.00 0.00 H new ATOM 0 HE3 MET A 469 -8.305 -20.385 1.525 1.00 0.00 H new ATOM 1368 N LYS A 470 -10.370 -14.594 0.344 1.00 0.00 N ATOM 1369 CA LYS A 470 -10.812 -13.475 1.167 1.00 0.00 C ATOM 1370 C LYS A 470 -10.706 -12.161 0.401 1.00 0.00 C ATOM 1371 O LYS A 470 -10.325 -12.143 -0.770 1.00 0.00 O ATOM 1372 CB LYS A 470 -9.980 -13.399 2.450 1.00 0.00 C ATOM 1373 CG LYS A 470 -8.481 -13.458 2.206 1.00 0.00 C ATOM 1374 CD LYS A 470 -7.899 -12.073 1.976 1.00 0.00 C ATOM 1375 CE LYS A 470 -6.380 -12.108 1.922 1.00 0.00 C ATOM 1376 NZ LYS A 470 -5.792 -12.600 3.200 1.00 0.00 N ATOM 0 H LYS A 470 -9.424 -14.498 -0.025 1.00 0.00 H new ATOM 0 HA LYS A 470 -11.857 -13.639 1.428 1.00 0.00 H new ATOM 0 HB2 LYS A 470 -10.218 -12.473 2.974 1.00 0.00 H new ATOM 0 HB3 LYS A 470 -10.265 -14.220 3.108 1.00 0.00 H new ATOM 0 HG2 LYS A 470 -7.990 -13.923 3.061 1.00 0.00 H new ATOM 0 HG3 LYS A 470 -8.277 -14.088 1.340 1.00 0.00 H new ATOM 0 HD2 LYS A 470 -8.288 -11.664 1.043 1.00 0.00 H new ATOM 0 HD3 LYS A 470 -8.220 -11.405 2.775 1.00 0.00 H new ATOM 0 HE2 LYS A 470 -6.060 -12.752 1.103 1.00 0.00 H new ATOM 0 HE3 LYS A 470 -6.001 -11.109 1.708 1.00 0.00 H new ATOM 0 HZ1 LYS A 470 -5.331 -11.811 3.696 1.00 0.00 H new ATOM 0 HZ2 LYS A 470 -6.545 -12.993 3.800 1.00 0.00 H new ATOM 0 HZ3 LYS A 470 -5.089 -13.339 2.997 1.00 0.00 H new ATOM 1390 N ARG A 471 -11.044 -11.062 1.069 1.00 0.00 N ATOM 1391 CA ARG A 471 -10.986 -9.744 0.450 1.00 0.00 C ATOM 1392 C ARG A 471 -9.890 -8.893 1.085 1.00 0.00 C ATOM 1393 O ARG A 471 -9.336 -9.250 2.125 1.00 0.00 O ATOM 1394 CB ARG A 471 -12.337 -9.035 0.582 1.00 0.00 C ATOM 1395 CG ARG A 471 -13.419 -9.619 -0.312 1.00 0.00 C ATOM 1396 CD ARG A 471 -14.779 -9.010 -0.008 1.00 0.00 C ATOM 1397 NE ARG A 471 -15.864 -9.737 -0.663 1.00 0.00 N ATOM 1398 CZ ARG A 471 -16.362 -10.880 -0.206 1.00 0.00 C ATOM 1399 NH1 ARG A 471 -15.877 -11.423 0.902 1.00 0.00 N ATOM 1400 NH2 ARG A 471 -17.348 -11.483 -0.858 1.00 0.00 N ATOM 0 H ARG A 471 -11.361 -11.059 2.039 1.00 0.00 H new ATOM 0 HA ARG A 471 -10.754 -9.876 -0.607 1.00 0.00 H new ATOM 0 HB2 ARG A 471 -12.666 -9.088 1.620 1.00 0.00 H new ATOM 0 HB3 ARG A 471 -12.209 -7.979 0.342 1.00 0.00 H new ATOM 0 HG2 ARG A 471 -13.165 -9.442 -1.357 1.00 0.00 H new ATOM 0 HG3 ARG A 471 -13.463 -10.699 -0.174 1.00 0.00 H new ATOM 0 HD2 ARG A 471 -14.943 -9.008 1.070 1.00 0.00 H new ATOM 0 HD3 ARG A 471 -14.791 -7.970 -0.334 1.00 0.00 H new ATOM 0 HE ARG A 471 -16.260 -9.345 -1.517 1.00 0.00 H new ATOM 0 HH11 ARG A 471 -15.119 -10.963 1.406 1.00 0.00 H new ATOM 0 HH12 ARG A 471 -16.262 -12.301 1.250 1.00 0.00 H new ATOM 0 HH21 ARG A 471 -17.724 -11.069 -1.711 1.00 0.00 H new ATOM 0 HH22 ARG A 471 -17.730 -12.361 -0.506 1.00 0.00 H new ATOM 1414 N LEU A 472 -9.582 -7.767 0.452 1.00 0.00 N ATOM 1415 CA LEU A 472 -8.551 -6.866 0.953 1.00 0.00 C ATOM 1416 C LEU A 472 -9.164 -5.562 1.454 1.00 0.00 C ATOM 1417 O LEU A 472 -10.275 -5.197 1.068 1.00 0.00 O ATOM 1418 CB LEU A 472 -7.525 -6.570 -0.144 1.00 0.00 C ATOM 1419 CG LEU A 472 -6.746 -7.773 -0.675 1.00 0.00 C ATOM 1420 CD1 LEU A 472 -5.663 -7.322 -1.643 1.00 0.00 C ATOM 1421 CD2 LEU A 472 -6.141 -8.567 0.474 1.00 0.00 C ATOM 0 H LEU A 472 -10.032 -7.456 -0.409 1.00 0.00 H new ATOM 0 HA LEU A 472 -8.050 -7.357 1.788 1.00 0.00 H new ATOM 0 HB2 LEU A 472 -8.042 -6.099 -0.980 1.00 0.00 H new ATOM 0 HB3 LEU A 472 -6.812 -5.841 0.240 1.00 0.00 H new ATOM 0 HG LEU A 472 -7.438 -8.421 -1.212 1.00 0.00 H new ATOM 0 HD11 LEU A 472 -5.119 -8.192 -2.011 1.00 0.00 H new ATOM 0 HD12 LEU A 472 -6.120 -6.798 -2.482 1.00 0.00 H new ATOM 0 HD13 LEU A 472 -4.973 -6.652 -1.130 1.00 0.00 H new ATOM 0 HD21 LEU A 472 -5.590 -9.420 0.077 1.00 0.00 H new ATOM 0 HD22 LEU A 472 -5.463 -7.929 1.040 1.00 0.00 H new ATOM 0 HD23 LEU A 472 -6.936 -8.922 1.129 1.00 0.00 H new ATOM 1433 N LYS A 473 -8.434 -4.863 2.317 1.00 0.00 N ATOM 1434 CA LYS A 473 -8.903 -3.599 2.871 1.00 0.00 C ATOM 1435 C LYS A 473 -7.800 -2.546 2.834 1.00 0.00 C ATOM 1436 O LYS A 473 -6.915 -2.530 3.689 1.00 0.00 O ATOM 1437 CB LYS A 473 -9.387 -3.796 4.309 1.00 0.00 C ATOM 1438 CG LYS A 473 -9.826 -2.509 4.985 1.00 0.00 C ATOM 1439 CD LYS A 473 -9.718 -2.609 6.498 1.00 0.00 C ATOM 1440 CE LYS A 473 -10.931 -3.305 7.097 1.00 0.00 C ATOM 1441 NZ LYS A 473 -11.108 -2.967 8.537 1.00 0.00 N ATOM 0 H LYS A 473 -7.513 -5.152 2.648 1.00 0.00 H new ATOM 0 HA LYS A 473 -9.735 -3.250 2.259 1.00 0.00 H new ATOM 0 HB2 LYS A 473 -10.220 -4.499 4.310 1.00 0.00 H new ATOM 0 HB3 LYS A 473 -8.587 -4.249 4.894 1.00 0.00 H new ATOM 0 HG2 LYS A 473 -9.211 -1.682 4.629 1.00 0.00 H new ATOM 0 HG3 LYS A 473 -10.856 -2.284 4.707 1.00 0.00 H new ATOM 0 HD2 LYS A 473 -8.814 -3.157 6.764 1.00 0.00 H new ATOM 0 HD3 LYS A 473 -9.623 -1.610 6.924 1.00 0.00 H new ATOM 0 HE2 LYS A 473 -11.825 -3.017 6.544 1.00 0.00 H new ATOM 0 HE3 LYS A 473 -10.822 -4.384 6.988 1.00 0.00 H new ATOM 0 HZ1 LYS A 473 -11.945 -3.460 8.909 1.00 0.00 H new ATOM 0 HZ2 LYS A 473 -10.265 -3.264 9.069 1.00 0.00 H new ATOM 0 HZ3 LYS A 473 -11.238 -1.940 8.639 1.00 0.00 H new ATOM 1455 N VAL A 474 -7.861 -1.668 1.837 1.00 0.00 N ATOM 1456 CA VAL A 474 -6.868 -0.609 1.691 1.00 0.00 C ATOM 1457 C VAL A 474 -7.444 0.744 2.093 1.00 0.00 C ATOM 1458 O VAL A 474 -8.584 1.067 1.760 1.00 0.00 O ATOM 1459 CB VAL A 474 -6.348 -0.524 0.244 1.00 0.00 C ATOM 1460 CG1 VAL A 474 -5.118 0.369 0.170 1.00 0.00 C ATOM 1461 CG2 VAL A 474 -6.040 -1.914 -0.294 1.00 0.00 C ATOM 0 H VAL A 474 -8.586 -1.669 1.120 1.00 0.00 H new ATOM 0 HA VAL A 474 -6.039 -0.858 2.353 1.00 0.00 H new ATOM 0 HB VAL A 474 -7.127 -0.082 -0.378 1.00 0.00 H new ATOM 0 HG11 VAL A 474 -4.765 0.417 -0.860 1.00 0.00 H new ATOM 0 HG12 VAL A 474 -5.375 1.371 0.513 1.00 0.00 H new ATOM 0 HG13 VAL A 474 -4.332 -0.041 0.804 1.00 0.00 H new ATOM 0 HG21 VAL A 474 -5.674 -1.835 -1.318 1.00 0.00 H new ATOM 0 HG22 VAL A 474 -5.279 -2.385 0.328 1.00 0.00 H new ATOM 0 HG23 VAL A 474 -6.946 -2.519 -0.279 1.00 0.00 H new ATOM 1471 N GLN A 475 -6.648 1.530 2.810 1.00 0.00 N ATOM 1472 CA GLN A 475 -7.081 2.850 3.258 1.00 0.00 C ATOM 1473 C GLN A 475 -5.881 3.748 3.539 1.00 0.00 C ATOM 1474 O GLN A 475 -4.888 3.311 4.122 1.00 0.00 O ATOM 1475 CB GLN A 475 -7.947 2.727 4.512 1.00 0.00 C ATOM 1476 CG GLN A 475 -8.517 4.053 4.989 1.00 0.00 C ATOM 1477 CD GLN A 475 -9.376 3.906 6.230 1.00 0.00 C ATOM 1478 OE1 GLN A 475 -8.875 3.947 7.353 1.00 0.00 O ATOM 1479 NE2 GLN A 475 -10.678 3.736 6.033 1.00 0.00 N ATOM 0 H GLN A 475 -5.701 1.277 3.093 1.00 0.00 H new ATOM 0 HA GLN A 475 -7.672 3.302 2.461 1.00 0.00 H new ATOM 0 HB2 GLN A 475 -8.768 2.039 4.310 1.00 0.00 H new ATOM 0 HB3 GLN A 475 -7.352 2.287 5.313 1.00 0.00 H new ATOM 0 HG2 GLN A 475 -7.699 4.742 5.198 1.00 0.00 H new ATOM 0 HG3 GLN A 475 -9.112 4.497 4.191 1.00 0.00 H new ATOM 0 HE21 GLN A 475 -11.051 3.708 5.084 1.00 0.00 H new ATOM 0 HE22 GLN A 475 -11.305 3.633 6.831 1.00 0.00 H new ATOM 1488 N LEU A 476 -5.980 5.006 3.123 1.00 0.00 N ATOM 1489 CA LEU A 476 -4.902 5.967 3.329 1.00 0.00 C ATOM 1490 C LEU A 476 -4.910 6.495 4.761 1.00 0.00 C ATOM 1491 O LEU A 476 -5.918 7.020 5.234 1.00 0.00 O ATOM 1492 CB LEU A 476 -5.033 7.130 2.344 1.00 0.00 C ATOM 1493 CG LEU A 476 -6.046 8.212 2.715 1.00 0.00 C ATOM 1494 CD1 LEU A 476 -5.455 9.168 3.739 1.00 0.00 C ATOM 1495 CD2 LEU A 476 -6.496 8.970 1.474 1.00 0.00 C ATOM 0 H LEU A 476 -6.796 5.384 2.641 1.00 0.00 H new ATOM 0 HA LEU A 476 -3.955 5.456 3.154 1.00 0.00 H new ATOM 0 HB2 LEU A 476 -4.055 7.598 2.234 1.00 0.00 H new ATOM 0 HB3 LEU A 476 -5.304 6.725 1.369 1.00 0.00 H new ATOM 0 HG LEU A 476 -6.917 7.730 3.158 1.00 0.00 H new ATOM 0 HD11 LEU A 476 -6.191 9.932 3.991 1.00 0.00 H new ATOM 0 HD12 LEU A 476 -5.183 8.615 4.638 1.00 0.00 H new ATOM 0 HD13 LEU A 476 -4.567 9.643 3.323 1.00 0.00 H new ATOM 0 HD21 LEU A 476 -7.217 9.737 1.757 1.00 0.00 H new ATOM 0 HD22 LEU A 476 -5.633 9.440 1.002 1.00 0.00 H new ATOM 0 HD23 LEU A 476 -6.960 8.277 0.773 1.00 0.00 H new ATOM 1507 N LYS A 477 -3.781 6.353 5.445 1.00 0.00 N ATOM 1508 CA LYS A 477 -3.655 6.818 6.821 1.00 0.00 C ATOM 1509 C LYS A 477 -3.867 8.327 6.906 1.00 0.00 C ATOM 1510 O LYS A 477 -3.101 9.104 6.336 1.00 0.00 O ATOM 1511 CB LYS A 477 -2.279 6.453 7.381 1.00 0.00 C ATOM 1512 CG LYS A 477 -2.015 7.020 8.766 1.00 0.00 C ATOM 1513 CD LYS A 477 -0.999 6.186 9.526 1.00 0.00 C ATOM 1514 CE LYS A 477 -1.671 5.077 10.321 1.00 0.00 C ATOM 1515 NZ LYS A 477 -2.272 4.044 9.433 1.00 0.00 N ATOM 0 H LYS A 477 -2.938 5.919 5.069 1.00 0.00 H new ATOM 0 HA LYS A 477 -4.424 6.326 7.417 1.00 0.00 H new ATOM 0 HB2 LYS A 477 -2.188 5.367 7.419 1.00 0.00 H new ATOM 0 HB3 LYS A 477 -1.511 6.814 6.697 1.00 0.00 H new ATOM 0 HG2 LYS A 477 -1.653 8.044 8.678 1.00 0.00 H new ATOM 0 HG3 LYS A 477 -2.948 7.059 9.328 1.00 0.00 H new ATOM 0 HD2 LYS A 477 -0.286 5.752 8.825 1.00 0.00 H new ATOM 0 HD3 LYS A 477 -0.432 6.827 10.201 1.00 0.00 H new ATOM 0 HE2 LYS A 477 -0.940 4.609 10.980 1.00 0.00 H new ATOM 0 HE3 LYS A 477 -2.446 5.505 10.957 1.00 0.00 H new ATOM 0 HZ1 LYS A 477 -2.600 3.241 10.007 1.00 0.00 H new ATOM 0 HZ2 LYS A 477 -3.078 4.454 8.919 1.00 0.00 H new ATOM 0 HZ3 LYS A 477 -1.559 3.714 8.752 1.00 0.00 H new