USER MOD reduce.3.24.130724 H: found=0, std=0, add=627, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 628 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= 1.04 K(o=1.5,f=-5.6!) USER MOD Set 1.2: A 454 SER OG : rot -170:sc= 0.448 USER MOD Set 2.1: A 410 GLN : amide:sc= 1.22 K(o=1.4,f=0.31) USER MOD Set 2.2: A 443 CYS SG : rot -71:sc= 0.161 USER MOD Set 3.1: A 419 GLN : amide:sc= -0.0615 X(o=-0.062,f=-0.16) USER MOD Set 3.2: A 422 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 4.1: A 407 HIS : no HD1:sc= 0.42 K(o=0.88,f=-2.7) USER MOD Set 4.2: A 470 LYS NZ :NH3+ 176:sc= 0.461 (180deg=0) USER MOD Set 5.1: A 402 ASN : amide:sc= 1.93 K(o=3,f=-6.8!) USER MOD Set 5.2: A 448 SER OG : rot -78:sc= 1.04 USER MOD Single : A 393 SER OG : rot 180:sc= 0.0085 USER MOD Single : A 394 GLN : amide:sc= 0.429 K(o=0.43,f=-3.5!) USER MOD Single : A 395 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 406 TYR OH : rot 180:sc= 0 USER MOD Single : A 415 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 420 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 426 ASN : amide:sc= -0.0116 K(o=-0.012,f=-0.81) USER MOD Single : A 429 SER OG : rot -119:sc= 1.26 USER MOD Single : A 431 LYS NZ :NH3+ 161:sc= 0.842 (180deg=0.596) USER MOD Single : A 441 SER OG : rot -134:sc= 0.176 USER MOD Single : A 442 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.000864) USER MOD Single : A 449 TYR OH : rot -161:sc= 0.601 USER MOD Single : A 456 GLN : amide:sc= -0.0266 K(o=-0.027,f=-0.58) USER MOD Single : A 460 GLN : amide:sc= 0.259 X(o=0.26,f=0) USER MOD Single : A 461 SER OG : rot 81:sc= 0.863 USER MOD Single : A 462 MET CE :methyl -172:sc= -0.324 (180deg=-0.634) USER MOD Single : A 463 ASN : amide:sc= 0.884 K(o=0.88,f=-5.7!) USER MOD Single : A 466 GLN : amide:sc= 0.834 K(o=0.83,f=-6.1!) USER MOD Single : A 469 MET CE :methyl -173:sc= 0 (180deg=-0.0693) USER MOD Single : A 473 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 475 GLN : amide:sc= 0.823 K(o=0.82,f=0) USER MOD Single : A 477 LYS NZ :NH3+ -153:sc= 0.353 (180deg=-0.046) USER MOD ----------------------------------------------------------------- ATOM 172 N ALA A 390 -4.864 7.086 -10.300 1.00 0.00 N ATOM 173 CA ALA A 390 -4.725 6.619 -8.915 1.00 0.00 C ATOM 174 C ALA A 390 -3.285 6.225 -8.528 1.00 0.00 C ATOM 175 O ALA A 390 -3.014 5.985 -7.349 1.00 0.00 O ATOM 176 CB ALA A 390 -5.709 5.455 -8.750 1.00 0.00 C ATOM 0 HA ALA A 390 -4.956 7.435 -8.230 1.00 0.00 H new ATOM 0 HB1 ALA A 390 -5.647 5.068 -7.733 1.00 0.00 H new ATOM 0 HB2 ALA A 390 -6.723 5.805 -8.944 1.00 0.00 H new ATOM 0 HB3 ALA A 390 -5.458 4.663 -9.456 1.00 0.00 H new ATOM 182 N ALA A 391 -2.364 6.183 -9.497 1.00 0.00 N ATOM 183 CA ALA A 391 -0.984 5.725 -9.334 1.00 0.00 C ATOM 184 C ALA A 391 -0.023 6.858 -8.952 1.00 0.00 C ATOM 185 O ALA A 391 0.051 7.892 -9.620 1.00 0.00 O ATOM 186 CB ALA A 391 -0.571 4.991 -10.618 1.00 0.00 C ATOM 0 H ALA A 391 -2.569 6.479 -10.451 1.00 0.00 H new ATOM 0 HA ALA A 391 -0.926 5.034 -8.493 1.00 0.00 H new ATOM 0 HB1 ALA A 391 0.456 4.639 -10.522 1.00 0.00 H new ATOM 0 HB2 ALA A 391 -1.233 4.140 -10.779 1.00 0.00 H new ATOM 0 HB3 ALA A 391 -0.643 5.672 -11.466 1.00 0.00 H new ATOM 192 N GLY A 392 0.698 6.650 -7.844 1.00 0.00 N ATOM 193 CA GLY A 392 1.636 7.613 -7.253 1.00 0.00 C ATOM 194 C GLY A 392 0.958 8.635 -6.341 1.00 0.00 C ATOM 195 O GLY A 392 1.629 9.515 -5.805 1.00 0.00 O ATOM 0 H GLY A 392 0.643 5.779 -7.317 1.00 0.00 H new ATOM 0 HA2 GLY A 392 2.391 7.071 -6.683 1.00 0.00 H new ATOM 0 HA3 GLY A 392 2.158 8.139 -8.052 1.00 0.00 H new ATOM 199 N SER A 393 -0.355 8.518 -6.147 1.00 0.00 N ATOM 200 CA SER A 393 -1.174 9.429 -5.346 1.00 0.00 C ATOM 201 C SER A 393 -1.276 8.966 -3.886 1.00 0.00 C ATOM 202 O SER A 393 -1.368 7.769 -3.602 1.00 0.00 O ATOM 203 CB SER A 393 -2.573 9.522 -5.970 1.00 0.00 C ATOM 204 OG SER A 393 -3.397 10.419 -5.239 1.00 0.00 O ATOM 0 H SER A 393 -0.898 7.759 -6.558 1.00 0.00 H new ATOM 0 HA SER A 393 -0.699 10.410 -5.343 1.00 0.00 H new ATOM 0 HB2 SER A 393 -2.492 9.857 -7.004 1.00 0.00 H new ATOM 0 HB3 SER A 393 -3.033 8.534 -5.990 1.00 0.00 H new ATOM 0 HG SER A 393 -4.283 10.463 -5.656 1.00 0.00 H new ATOM 210 N GLN A 394 -1.297 9.921 -2.954 1.00 0.00 N ATOM 211 CA GLN A 394 -1.565 9.690 -1.537 1.00 0.00 C ATOM 212 C GLN A 394 -2.968 10.163 -1.120 1.00 0.00 C ATOM 213 O GLN A 394 -3.171 10.616 0.004 1.00 0.00 O ATOM 214 CB GLN A 394 -0.426 10.240 -0.663 1.00 0.00 C ATOM 215 CG GLN A 394 -0.218 11.765 -0.660 1.00 0.00 C ATOM 216 CD GLN A 394 0.686 12.250 -1.793 1.00 0.00 C ATOM 217 OE1 GLN A 394 0.286 12.340 -2.948 1.00 0.00 O ATOM 218 NE2 GLN A 394 1.930 12.583 -1.510 1.00 0.00 N ATOM 0 H GLN A 394 -1.123 10.902 -3.172 1.00 0.00 H new ATOM 0 HA GLN A 394 -1.581 8.614 -1.366 1.00 0.00 H new ATOM 0 HB2 GLN A 394 -0.603 9.921 0.364 1.00 0.00 H new ATOM 0 HB3 GLN A 394 0.504 9.772 -0.986 1.00 0.00 H new ATOM 0 HG2 GLN A 394 -1.187 12.258 -0.740 1.00 0.00 H new ATOM 0 HG3 GLN A 394 0.214 12.065 0.295 1.00 0.00 H new ATOM 0 HE21 GLN A 394 2.272 12.511 -0.552 1.00 0.00 H new ATOM 0 HE22 GLN A 394 2.551 12.912 -2.249 1.00 0.00 H new ATOM 227 N LYS A 395 -3.961 10.062 -2.014 1.00 0.00 N ATOM 228 CA LYS A 395 -5.372 10.269 -1.667 1.00 0.00 C ATOM 229 C LYS A 395 -5.896 9.107 -0.798 1.00 0.00 C ATOM 230 O LYS A 395 -6.528 8.165 -1.286 1.00 0.00 O ATOM 231 CB LYS A 395 -6.186 10.513 -2.951 1.00 0.00 C ATOM 232 CG LYS A 395 -7.639 10.910 -2.640 1.00 0.00 C ATOM 233 CD LYS A 395 -8.437 11.135 -3.933 1.00 0.00 C ATOM 234 CE LYS A 395 -9.924 11.414 -3.663 1.00 0.00 C ATOM 235 NZ LYS A 395 -10.153 12.724 -2.996 1.00 0.00 N ATOM 0 H LYS A 395 -3.808 9.835 -2.997 1.00 0.00 H new ATOM 0 HA LYS A 395 -5.485 11.162 -1.052 1.00 0.00 H new ATOM 0 HB2 LYS A 395 -5.712 11.300 -3.538 1.00 0.00 H new ATOM 0 HB3 LYS A 395 -6.179 9.611 -3.563 1.00 0.00 H new ATOM 0 HG2 LYS A 395 -8.114 10.129 -2.047 1.00 0.00 H new ATOM 0 HG3 LYS A 395 -7.651 11.819 -2.038 1.00 0.00 H new ATOM 0 HD2 LYS A 395 -8.007 11.973 -4.481 1.00 0.00 H new ATOM 0 HD3 LYS A 395 -8.345 10.256 -4.571 1.00 0.00 H new ATOM 0 HE2 LYS A 395 -10.470 11.391 -4.606 1.00 0.00 H new ATOM 0 HE3 LYS A 395 -10.331 10.618 -3.039 1.00 0.00 H new ATOM 0 HZ1 LYS A 395 -11.172 12.860 -2.838 1.00 0.00 H new ATOM 0 HZ2 LYS A 395 -9.656 12.740 -2.083 1.00 0.00 H new ATOM 0 HZ3 LYS A 395 -9.791 13.489 -3.600 1.00 0.00 H new ATOM 249 N GLU A 396 -5.581 9.166 0.494 1.00 0.00 N ATOM 250 CA GLU A 396 -5.891 8.135 1.488 1.00 0.00 C ATOM 251 C GLU A 396 -7.415 7.918 1.602 1.00 0.00 C ATOM 252 O GLU A 396 -8.198 8.875 1.564 1.00 0.00 O ATOM 253 CB GLU A 396 -5.296 8.498 2.862 1.00 0.00 C ATOM 254 CG GLU A 396 -3.847 9.033 2.850 1.00 0.00 C ATOM 255 CD GLU A 396 -3.300 9.297 4.267 1.00 0.00 C ATOM 256 OE1 GLU A 396 -3.781 8.683 5.250 1.00 0.00 O ATOM 257 OE2 GLU A 396 -2.379 10.135 4.407 1.00 0.00 O ATOM 0 H GLU A 396 -5.084 9.962 0.895 1.00 0.00 H new ATOM 0 HA GLU A 396 -5.436 7.203 1.153 1.00 0.00 H new ATOM 0 HB2 GLU A 396 -5.936 9.248 3.327 1.00 0.00 H new ATOM 0 HB3 GLU A 396 -5.331 7.612 3.497 1.00 0.00 H new ATOM 0 HG2 GLU A 396 -3.203 8.314 2.344 1.00 0.00 H new ATOM 0 HG3 GLU A 396 -3.810 9.957 2.272 1.00 0.00 H new ATOM 264 N GLY A 397 -7.837 6.658 1.737 1.00 0.00 N ATOM 265 CA GLY A 397 -9.241 6.232 1.804 1.00 0.00 C ATOM 266 C GLY A 397 -9.845 6.302 3.219 1.00 0.00 C ATOM 267 O GLY A 397 -9.185 6.787 4.147 1.00 0.00 O ATOM 0 H GLY A 397 -7.187 5.875 1.805 1.00 0.00 H new ATOM 0 HA2 GLY A 397 -9.833 6.857 1.135 1.00 0.00 H new ATOM 0 HA3 GLY A 397 -9.318 5.209 1.436 1.00 0.00 H new ATOM 271 N PRO A 398 -11.094 5.827 3.395 1.00 0.00 N ATOM 272 CA PRO A 398 -11.815 5.864 4.667 1.00 0.00 C ATOM 273 C PRO A 398 -11.287 4.828 5.674 1.00 0.00 C ATOM 274 O PRO A 398 -10.426 4.004 5.359 1.00 0.00 O ATOM 275 CB PRO A 398 -13.285 5.631 4.293 1.00 0.00 C ATOM 276 CG PRO A 398 -13.201 4.747 3.052 1.00 0.00 C ATOM 277 CD PRO A 398 -11.943 5.259 2.353 1.00 0.00 C ATOM 0 HA PRO A 398 -11.679 6.816 5.180 1.00 0.00 H new ATOM 0 HB2 PRO A 398 -13.831 5.141 5.099 1.00 0.00 H new ATOM 0 HB3 PRO A 398 -13.799 6.569 4.084 1.00 0.00 H new ATOM 0 HG2 PRO A 398 -13.117 3.692 3.312 1.00 0.00 H new ATOM 0 HG3 PRO A 398 -14.084 4.851 2.422 1.00 0.00 H new ATOM 0 HD2 PRO A 398 -11.431 4.449 1.833 1.00 0.00 H new ATOM 0 HD3 PRO A 398 -12.194 6.010 1.604 1.00 0.00 H new ATOM 285 N GLU A 399 -11.815 4.875 6.902 1.00 0.00 N ATOM 286 CA GLU A 399 -11.429 3.996 8.011 1.00 0.00 C ATOM 287 C GLU A 399 -11.601 2.508 7.652 1.00 0.00 C ATOM 288 O GLU A 399 -12.678 2.068 7.237 1.00 0.00 O ATOM 289 CB GLU A 399 -12.244 4.373 9.261 1.00 0.00 C ATOM 290 CG GLU A 399 -11.785 3.622 10.518 1.00 0.00 C ATOM 291 CD GLU A 399 -12.573 4.086 11.751 1.00 0.00 C ATOM 292 OE1 GLU A 399 -13.638 3.495 12.054 1.00 0.00 O ATOM 293 OE2 GLU A 399 -12.132 5.042 12.432 1.00 0.00 O ATOM 0 H GLU A 399 -12.542 5.543 7.159 1.00 0.00 H new ATOM 0 HA GLU A 399 -10.369 4.139 8.219 1.00 0.00 H new ATOM 0 HB2 GLU A 399 -12.161 5.446 9.434 1.00 0.00 H new ATOM 0 HB3 GLU A 399 -13.298 4.160 9.080 1.00 0.00 H new ATOM 0 HG2 GLU A 399 -11.922 2.550 10.376 1.00 0.00 H new ATOM 0 HG3 GLU A 399 -10.720 3.789 10.678 1.00 0.00 H new ATOM 300 N GLY A 400 -10.519 1.732 7.798 1.00 0.00 N ATOM 301 CA GLY A 400 -10.471 0.292 7.500 1.00 0.00 C ATOM 302 C GLY A 400 -10.256 -0.050 6.020 1.00 0.00 C ATOM 303 O GLY A 400 -10.104 -1.224 5.694 1.00 0.00 O ATOM 0 H GLY A 400 -9.628 2.097 8.136 1.00 0.00 H new ATOM 0 HA2 GLY A 400 -9.668 -0.159 8.083 1.00 0.00 H new ATOM 0 HA3 GLY A 400 -11.403 -0.165 7.833 1.00 0.00 H new ATOM 307 N ALA A 401 -10.227 0.945 5.125 1.00 0.00 N ATOM 308 CA ALA A 401 -10.029 0.761 3.681 1.00 0.00 C ATOM 309 C ALA A 401 -8.570 0.968 3.219 1.00 0.00 C ATOM 310 O ALA A 401 -8.269 0.791 2.038 1.00 0.00 O ATOM 311 CB ALA A 401 -10.999 1.693 2.950 1.00 0.00 C ATOM 0 H ALA A 401 -10.343 1.923 5.390 1.00 0.00 H new ATOM 0 HA ALA A 401 -10.240 -0.279 3.434 1.00 0.00 H new ATOM 0 HB1 ALA A 401 -10.873 1.577 1.873 1.00 0.00 H new ATOM 0 HB2 ALA A 401 -12.023 1.441 3.225 1.00 0.00 H new ATOM 0 HB3 ALA A 401 -10.792 2.726 3.230 1.00 0.00 H new ATOM 317 N ASN A 402 -7.664 1.330 4.133 1.00 0.00 N ATOM 318 CA ASN A 402 -6.250 1.595 3.848 1.00 0.00 C ATOM 319 C ASN A 402 -5.367 0.404 4.239 1.00 0.00 C ATOM 320 O ASN A 402 -5.352 -0.020 5.397 1.00 0.00 O ATOM 321 CB ASN A 402 -5.806 2.869 4.587 1.00 0.00 C ATOM 322 CG ASN A 402 -6.536 4.103 4.079 1.00 0.00 C ATOM 323 OD1 ASN A 402 -6.694 4.295 2.881 1.00 0.00 O ATOM 324 ND2 ASN A 402 -7.005 4.964 4.963 1.00 0.00 N ATOM 0 H ASN A 402 -7.900 1.450 5.118 1.00 0.00 H new ATOM 0 HA ASN A 402 -6.135 1.744 2.774 1.00 0.00 H new ATOM 0 HB2 ASN A 402 -5.990 2.752 5.655 1.00 0.00 H new ATOM 0 HB3 ASN A 402 -4.732 3.005 4.462 1.00 0.00 H new ATOM 0 HD21 ASN A 402 -7.503 5.797 4.649 1.00 0.00 H new ATOM 0 HD22 ASN A 402 -6.869 4.796 5.960 1.00 0.00 H new ATOM 331 N LEU A 403 -4.602 -0.108 3.272 1.00 0.00 N ATOM 332 CA LEU A 403 -3.666 -1.220 3.435 1.00 0.00 C ATOM 333 C LEU A 403 -2.214 -0.759 3.393 1.00 0.00 C ATOM 334 O LEU A 403 -1.870 0.165 2.654 1.00 0.00 O ATOM 335 CB LEU A 403 -3.870 -2.260 2.317 1.00 0.00 C ATOM 336 CG LEU A 403 -5.266 -2.889 2.238 1.00 0.00 C ATOM 337 CD1 LEU A 403 -5.225 -4.043 1.233 1.00 0.00 C ATOM 338 CD2 LEU A 403 -5.727 -3.416 3.599 1.00 0.00 C ATOM 0 H LEU A 403 -4.619 0.255 2.319 1.00 0.00 H new ATOM 0 HA LEU A 403 -3.870 -1.658 4.412 1.00 0.00 H new ATOM 0 HB2 LEU A 403 -3.651 -1.785 1.361 1.00 0.00 H new ATOM 0 HB3 LEU A 403 -3.140 -3.058 2.451 1.00 0.00 H new ATOM 0 HG LEU A 403 -5.974 -2.123 1.922 1.00 0.00 H new ATOM 0 HD11 LEU A 403 -6.212 -4.502 1.165 1.00 0.00 H new ATOM 0 HD12 LEU A 403 -4.933 -3.663 0.254 1.00 0.00 H new ATOM 0 HD13 LEU A 403 -4.501 -4.788 1.563 1.00 0.00 H new ATOM 0 HD21 LEU A 403 -6.720 -3.854 3.502 1.00 0.00 H new ATOM 0 HD22 LEU A 403 -5.028 -4.175 3.951 1.00 0.00 H new ATOM 0 HD23 LEU A 403 -5.761 -2.595 4.315 1.00 0.00 H new ATOM 350 N PHE A 404 -1.383 -1.491 4.130 1.00 0.00 N ATOM 351 CA PHE A 404 0.073 -1.441 4.106 1.00 0.00 C ATOM 352 C PHE A 404 0.600 -2.799 3.622 1.00 0.00 C ATOM 353 O PHE A 404 0.197 -3.853 4.117 1.00 0.00 O ATOM 354 CB PHE A 404 0.585 -1.106 5.509 1.00 0.00 C ATOM 355 CG PHE A 404 2.081 -1.289 5.686 1.00 0.00 C ATOM 356 CD1 PHE A 404 2.977 -0.332 5.175 1.00 0.00 C ATOM 357 CD2 PHE A 404 2.577 -2.408 6.381 1.00 0.00 C ATOM 358 CE1 PHE A 404 4.356 -0.465 5.407 1.00 0.00 C ATOM 359 CE2 PHE A 404 3.957 -2.544 6.608 1.00 0.00 C ATOM 360 CZ PHE A 404 4.844 -1.560 6.140 1.00 0.00 C ATOM 0 H PHE A 404 -1.731 -2.176 4.800 1.00 0.00 H new ATOM 0 HA PHE A 404 0.428 -0.668 3.424 1.00 0.00 H new ATOM 0 HB2 PHE A 404 0.327 -0.073 5.740 1.00 0.00 H new ATOM 0 HB3 PHE A 404 0.065 -1.734 6.233 1.00 0.00 H new ATOM 0 HD1 PHE A 404 2.604 0.505 4.604 1.00 0.00 H new ATOM 0 HD2 PHE A 404 1.895 -3.164 6.741 1.00 0.00 H new ATOM 0 HE1 PHE A 404 5.042 0.275 5.022 1.00 0.00 H new ATOM 0 HE2 PHE A 404 4.335 -3.404 7.141 1.00 0.00 H new ATOM 0 HZ PHE A 404 5.901 -1.645 6.344 1.00 0.00 H new ATOM 370 N ILE A 405 1.492 -2.753 2.634 1.00 0.00 N ATOM 371 CA ILE A 405 2.122 -3.890 1.959 1.00 0.00 C ATOM 372 C ILE A 405 3.638 -3.790 2.180 1.00 0.00 C ATOM 373 O ILE A 405 4.207 -2.712 2.012 1.00 0.00 O ATOM 374 CB ILE A 405 1.792 -3.863 0.440 1.00 0.00 C ATOM 375 CG1 ILE A 405 0.287 -3.943 0.083 1.00 0.00 C ATOM 376 CG2 ILE A 405 2.492 -5.043 -0.265 1.00 0.00 C ATOM 377 CD1 ILE A 405 -0.544 -2.666 0.274 1.00 0.00 C ATOM 0 H ILE A 405 1.816 -1.862 2.258 1.00 0.00 H new ATOM 0 HA ILE A 405 1.745 -4.828 2.366 1.00 0.00 H new ATOM 0 HB ILE A 405 2.149 -2.890 0.102 1.00 0.00 H new ATOM 0 HG12 ILE A 405 0.202 -4.250 -0.960 1.00 0.00 H new ATOM 0 HG13 ILE A 405 -0.162 -4.733 0.685 1.00 0.00 H new ATOM 0 HG21 ILE A 405 2.259 -5.021 -1.329 1.00 0.00 H new ATOM 0 HG22 ILE A 405 3.570 -4.961 -0.128 1.00 0.00 H new ATOM 0 HG23 ILE A 405 2.142 -5.982 0.164 1.00 0.00 H new ATOM 0 HD11 ILE A 405 -1.578 -2.859 -0.012 1.00 0.00 H new ATOM 0 HD12 ILE A 405 -0.507 -2.361 1.320 1.00 0.00 H new ATOM 0 HD13 ILE A 405 -0.137 -1.870 -0.350 1.00 0.00 H new ATOM 389 N TYR A 406 4.297 -4.901 2.506 1.00 0.00 N ATOM 390 CA TYR A 406 5.748 -4.998 2.721 1.00 0.00 C ATOM 391 C TYR A 406 6.326 -6.284 2.089 1.00 0.00 C ATOM 392 O TYR A 406 5.629 -7.292 1.997 1.00 0.00 O ATOM 393 CB TYR A 406 6.034 -4.902 4.232 1.00 0.00 C ATOM 394 CG TYR A 406 7.487 -4.646 4.586 1.00 0.00 C ATOM 395 CD1 TYR A 406 8.413 -5.703 4.638 1.00 0.00 C ATOM 396 CD2 TYR A 406 7.919 -3.335 4.847 1.00 0.00 C ATOM 397 CE1 TYR A 406 9.774 -5.445 4.883 1.00 0.00 C ATOM 398 CE2 TYR A 406 9.274 -3.066 5.103 1.00 0.00 C ATOM 399 CZ TYR A 406 10.214 -4.121 5.101 1.00 0.00 C ATOM 400 OH TYR A 406 11.535 -3.874 5.314 1.00 0.00 O ATOM 0 H TYR A 406 3.821 -5.794 2.633 1.00 0.00 H new ATOM 0 HA TYR A 406 6.251 -4.170 2.221 1.00 0.00 H new ATOM 0 HB2 TYR A 406 5.425 -4.102 4.653 1.00 0.00 H new ATOM 0 HB3 TYR A 406 5.716 -5.830 4.708 1.00 0.00 H new ATOM 0 HD1 TYR A 406 8.077 -6.719 4.489 1.00 0.00 H new ATOM 0 HD2 TYR A 406 7.203 -2.526 4.851 1.00 0.00 H new ATOM 0 HE1 TYR A 406 10.483 -6.260 4.904 1.00 0.00 H new ATOM 0 HE2 TYR A 406 9.597 -2.055 5.301 1.00 0.00 H new ATOM 0 HH TYR A 406 11.671 -2.912 5.446 1.00 0.00 H new ATOM 410 N HIS A 407 7.586 -6.220 1.636 1.00 0.00 N ATOM 411 CA HIS A 407 8.384 -7.222 0.891 1.00 0.00 C ATOM 412 C HIS A 407 8.247 -7.122 -0.652 1.00 0.00 C ATOM 413 O HIS A 407 8.555 -8.076 -1.370 1.00 0.00 O ATOM 414 CB HIS A 407 8.234 -8.666 1.429 1.00 0.00 C ATOM 415 CG HIS A 407 8.764 -8.875 2.820 1.00 0.00 C ATOM 416 ND1 HIS A 407 10.101 -8.708 3.189 1.00 0.00 N ATOM 417 CD2 HIS A 407 8.058 -9.342 3.889 1.00 0.00 C ATOM 418 CE1 HIS A 407 10.163 -9.074 4.480 1.00 0.00 C ATOM 419 NE2 HIS A 407 8.954 -9.458 4.928 1.00 0.00 N ATOM 0 H HIS A 407 8.136 -5.376 1.797 1.00 0.00 H new ATOM 0 HA HIS A 407 9.419 -6.947 1.097 1.00 0.00 H new ATOM 0 HB2 HIS A 407 7.179 -8.938 1.412 1.00 0.00 H new ATOM 0 HB3 HIS A 407 8.750 -9.347 0.752 1.00 0.00 H new ATOM 0 HD2 HIS A 407 7.004 -9.575 3.916 1.00 0.00 H new ATOM 0 HE1 HIS A 407 11.062 -9.062 5.078 1.00 0.00 H new ATOM 0 HE2 HIS A 407 8.739 -9.779 5.872 1.00 0.00 H new ATOM 427 N LEU A 408 7.813 -5.968 -1.178 1.00 0.00 N ATOM 428 CA LEU A 408 7.799 -5.683 -2.624 1.00 0.00 C ATOM 429 C LEU A 408 9.234 -5.649 -3.205 1.00 0.00 C ATOM 430 O LEU A 408 10.177 -5.388 -2.452 1.00 0.00 O ATOM 431 CB LEU A 408 7.097 -4.332 -2.888 1.00 0.00 C ATOM 432 CG LEU A 408 5.614 -4.275 -2.469 1.00 0.00 C ATOM 433 CD1 LEU A 408 5.134 -2.816 -2.450 1.00 0.00 C ATOM 434 CD2 LEU A 408 4.735 -5.087 -3.433 1.00 0.00 C ATOM 0 H LEU A 408 7.459 -5.199 -0.610 1.00 0.00 H new ATOM 0 HA LEU A 408 7.250 -6.484 -3.120 1.00 0.00 H new ATOM 0 HB2 LEU A 408 7.639 -3.549 -2.358 1.00 0.00 H new ATOM 0 HB3 LEU A 408 7.167 -4.105 -3.952 1.00 0.00 H new ATOM 0 HG LEU A 408 5.527 -4.707 -1.472 1.00 0.00 H new ATOM 0 HD11 LEU A 408 4.086 -2.782 -2.153 1.00 0.00 H new ATOM 0 HD12 LEU A 408 5.731 -2.246 -1.739 1.00 0.00 H new ATOM 0 HD13 LEU A 408 5.244 -2.384 -3.445 1.00 0.00 H new ATOM 0 HD21 LEU A 408 3.695 -5.029 -3.113 1.00 0.00 H new ATOM 0 HD22 LEU A 408 4.828 -4.681 -4.440 1.00 0.00 H new ATOM 0 HD23 LEU A 408 5.058 -6.128 -3.430 1.00 0.00 H new ATOM 446 N PRO A 409 9.417 -5.865 -4.524 1.00 0.00 N ATOM 447 CA PRO A 409 10.689 -5.646 -5.213 1.00 0.00 C ATOM 448 C PRO A 409 11.245 -4.225 -5.017 1.00 0.00 C ATOM 449 O PRO A 409 10.486 -3.268 -4.869 1.00 0.00 O ATOM 450 CB PRO A 409 10.406 -5.932 -6.694 1.00 0.00 C ATOM 451 CG PRO A 409 9.248 -6.927 -6.641 1.00 0.00 C ATOM 452 CD PRO A 409 8.440 -6.432 -5.445 1.00 0.00 C ATOM 0 HA PRO A 409 11.460 -6.300 -4.805 1.00 0.00 H new ATOM 0 HB2 PRO A 409 10.134 -5.025 -7.235 1.00 0.00 H new ATOM 0 HB3 PRO A 409 11.277 -6.353 -7.196 1.00 0.00 H new ATOM 0 HG2 PRO A 409 8.661 -6.916 -7.560 1.00 0.00 H new ATOM 0 HG3 PRO A 409 9.598 -7.949 -6.499 1.00 0.00 H new ATOM 0 HD2 PRO A 409 7.707 -5.685 -5.749 1.00 0.00 H new ATOM 0 HD3 PRO A 409 7.889 -7.248 -4.979 1.00 0.00 H new ATOM 460 N GLN A 410 12.575 -4.083 -5.081 1.00 0.00 N ATOM 461 CA GLN A 410 13.307 -2.812 -4.906 1.00 0.00 C ATOM 462 C GLN A 410 13.089 -1.811 -6.071 1.00 0.00 C ATOM 463 O GLN A 410 13.634 -0.708 -6.066 1.00 0.00 O ATOM 464 CB GLN A 410 14.807 -3.144 -4.733 1.00 0.00 C ATOM 465 CG GLN A 410 15.620 -2.094 -3.949 1.00 0.00 C ATOM 466 CD GLN A 410 15.749 -2.433 -2.461 1.00 0.00 C ATOM 467 OE1 GLN A 410 16.544 -3.272 -2.053 1.00 0.00 O ATOM 468 NE2 GLN A 410 14.983 -1.809 -1.591 1.00 0.00 N ATOM 0 H GLN A 410 13.196 -4.872 -5.262 1.00 0.00 H new ATOM 0 HA GLN A 410 12.917 -2.310 -4.021 1.00 0.00 H new ATOM 0 HB2 GLN A 410 14.895 -4.104 -4.224 1.00 0.00 H new ATOM 0 HB3 GLN A 410 15.253 -3.264 -5.720 1.00 0.00 H new ATOM 0 HG2 GLN A 410 16.615 -2.012 -4.386 1.00 0.00 H new ATOM 0 HG3 GLN A 410 15.144 -1.119 -4.055 1.00 0.00 H new ATOM 0 HE21 GLN A 410 14.315 -1.107 -1.911 1.00 0.00 H new ATOM 0 HE22 GLN A 410 15.057 -2.027 -0.597 1.00 0.00 H new ATOM 477 N GLU A 411 12.270 -2.176 -7.062 1.00 0.00 N ATOM 478 CA GLU A 411 12.008 -1.425 -8.299 1.00 0.00 C ATOM 479 C GLU A 411 10.510 -1.380 -8.683 1.00 0.00 C ATOM 480 O GLU A 411 10.166 -0.961 -9.790 1.00 0.00 O ATOM 481 CB GLU A 411 12.872 -2.016 -9.431 1.00 0.00 C ATOM 482 CG GLU A 411 12.518 -3.472 -9.782 1.00 0.00 C ATOM 483 CD GLU A 411 13.399 -3.985 -10.933 1.00 0.00 C ATOM 484 OE1 GLU A 411 14.491 -4.539 -10.663 1.00 0.00 O ATOM 485 OE2 GLU A 411 13.003 -3.844 -12.115 1.00 0.00 O ATOM 0 H GLU A 411 11.743 -3.049 -7.023 1.00 0.00 H new ATOM 0 HA GLU A 411 12.284 -0.384 -8.129 1.00 0.00 H new ATOM 0 HB2 GLU A 411 12.759 -1.399 -10.322 1.00 0.00 H new ATOM 0 HB3 GLU A 411 13.921 -1.966 -9.139 1.00 0.00 H new ATOM 0 HG2 GLU A 411 12.652 -4.105 -8.905 1.00 0.00 H new ATOM 0 HG3 GLU A 411 11.467 -3.538 -10.065 1.00 0.00 H new ATOM 492 N PHE A 412 9.612 -1.830 -7.795 1.00 0.00 N ATOM 493 CA PHE A 412 8.176 -1.947 -8.072 1.00 0.00 C ATOM 494 C PHE A 412 7.512 -0.570 -8.251 1.00 0.00 C ATOM 495 O PHE A 412 7.740 0.347 -7.457 1.00 0.00 O ATOM 496 CB PHE A 412 7.504 -2.752 -6.946 1.00 0.00 C ATOM 497 CG PHE A 412 6.412 -3.696 -7.404 1.00 0.00 C ATOM 498 CD1 PHE A 412 6.727 -4.758 -8.274 1.00 0.00 C ATOM 499 CD2 PHE A 412 5.100 -3.565 -6.909 1.00 0.00 C ATOM 500 CE1 PHE A 412 5.739 -5.692 -8.636 1.00 0.00 C ATOM 501 CE2 PHE A 412 4.119 -4.508 -7.260 1.00 0.00 C ATOM 502 CZ PHE A 412 4.436 -5.573 -8.120 1.00 0.00 C ATOM 0 H PHE A 412 9.867 -2.126 -6.853 1.00 0.00 H new ATOM 0 HA PHE A 412 8.046 -2.476 -9.016 1.00 0.00 H new ATOM 0 HB2 PHE A 412 8.268 -3.329 -6.425 1.00 0.00 H new ATOM 0 HB3 PHE A 412 7.082 -2.055 -6.222 1.00 0.00 H new ATOM 0 HD1 PHE A 412 7.729 -4.856 -8.664 1.00 0.00 H new ATOM 0 HD2 PHE A 412 4.848 -2.740 -6.260 1.00 0.00 H new ATOM 0 HE1 PHE A 412 5.981 -6.500 -9.310 1.00 0.00 H new ATOM 0 HE2 PHE A 412 3.117 -4.414 -6.867 1.00 0.00 H new ATOM 0 HZ PHE A 412 3.681 -6.299 -8.384 1.00 0.00 H new ATOM 512 N GLY A 413 6.684 -0.432 -9.292 1.00 0.00 N ATOM 513 CA GLY A 413 5.959 0.799 -9.612 1.00 0.00 C ATOM 514 C GLY A 413 4.590 0.884 -8.939 1.00 0.00 C ATOM 515 O GLY A 413 4.023 -0.107 -8.478 1.00 0.00 O ATOM 0 H GLY A 413 6.496 -1.190 -9.948 1.00 0.00 H new ATOM 0 HA2 GLY A 413 6.560 1.656 -9.308 1.00 0.00 H new ATOM 0 HA3 GLY A 413 5.830 0.867 -10.692 1.00 0.00 H new ATOM 519 N ASP A 414 4.027 2.091 -8.930 1.00 0.00 N ATOM 520 CA ASP A 414 2.718 2.377 -8.329 1.00 0.00 C ATOM 521 C ASP A 414 1.563 1.699 -9.088 1.00 0.00 C ATOM 522 O ASP A 414 0.597 1.229 -8.486 1.00 0.00 O ATOM 523 CB ASP A 414 2.515 3.896 -8.312 1.00 0.00 C ATOM 524 CG ASP A 414 3.651 4.632 -7.592 1.00 0.00 C ATOM 525 OD1 ASP A 414 3.813 4.406 -6.372 1.00 0.00 O ATOM 526 OD2 ASP A 414 4.371 5.416 -8.251 1.00 0.00 O ATOM 0 H ASP A 414 4.470 2.911 -9.344 1.00 0.00 H new ATOM 0 HA ASP A 414 2.708 1.973 -7.317 1.00 0.00 H new ATOM 0 HB2 ASP A 414 2.442 4.261 -9.336 1.00 0.00 H new ATOM 0 HB3 ASP A 414 1.569 4.127 -7.823 1.00 0.00 H new ATOM 531 N GLN A 415 1.704 1.605 -10.413 1.00 0.00 N ATOM 532 CA GLN A 415 0.781 0.899 -11.302 1.00 0.00 C ATOM 533 C GLN A 415 0.904 -0.630 -11.146 1.00 0.00 C ATOM 534 O GLN A 415 -0.097 -1.338 -11.260 1.00 0.00 O ATOM 535 CB GLN A 415 1.070 1.354 -12.744 1.00 0.00 C ATOM 536 CG GLN A 415 -0.002 0.925 -13.758 1.00 0.00 C ATOM 537 CD GLN A 415 0.410 1.286 -15.189 1.00 0.00 C ATOM 538 OE1 GLN A 415 1.062 0.518 -15.885 1.00 0.00 O ATOM 539 NE2 GLN A 415 0.066 2.455 -15.689 1.00 0.00 N ATOM 0 H GLN A 415 2.486 2.031 -10.910 1.00 0.00 H new ATOM 0 HA GLN A 415 -0.249 1.144 -11.041 1.00 0.00 H new ATOM 0 HB2 GLN A 415 1.159 2.440 -12.761 1.00 0.00 H new ATOM 0 HB3 GLN A 415 2.033 0.951 -13.056 1.00 0.00 H new ATOM 0 HG2 GLN A 415 -0.166 -0.150 -13.685 1.00 0.00 H new ATOM 0 HG3 GLN A 415 -0.948 1.409 -13.517 1.00 0.00 H new ATOM 0 HE21 GLN A 415 -0.477 3.110 -15.127 1.00 0.00 H new ATOM 0 HE22 GLN A 415 0.343 2.705 -16.638 1.00 0.00 H new ATOM 548 N ASP A 416 2.098 -1.147 -10.826 1.00 0.00 N ATOM 549 CA ASP A 416 2.324 -2.578 -10.585 1.00 0.00 C ATOM 550 C ASP A 416 1.630 -3.044 -9.295 1.00 0.00 C ATOM 551 O ASP A 416 1.029 -4.121 -9.274 1.00 0.00 O ATOM 552 CB ASP A 416 3.829 -2.898 -10.533 1.00 0.00 C ATOM 553 CG ASP A 416 4.544 -2.593 -11.857 1.00 0.00 C ATOM 554 OD1 ASP A 416 4.309 -3.322 -12.850 1.00 0.00 O ATOM 555 OD2 ASP A 416 5.359 -1.641 -11.890 1.00 0.00 O ATOM 0 H ASP A 416 2.940 -0.580 -10.726 1.00 0.00 H new ATOM 0 HA ASP A 416 1.885 -3.124 -11.420 1.00 0.00 H new ATOM 0 HB2 ASP A 416 4.292 -2.320 -9.733 1.00 0.00 H new ATOM 0 HB3 ASP A 416 3.964 -3.951 -10.285 1.00 0.00 H new ATOM 560 N LEU A 417 1.641 -2.209 -8.245 1.00 0.00 N ATOM 561 CA LEU A 417 0.888 -2.457 -7.017 1.00 0.00 C ATOM 562 C LEU A 417 -0.626 -2.371 -7.254 1.00 0.00 C ATOM 563 O LEU A 417 -1.367 -3.227 -6.775 1.00 0.00 O ATOM 564 CB LEU A 417 1.367 -1.480 -5.926 1.00 0.00 C ATOM 565 CG LEU A 417 0.845 -1.824 -4.515 1.00 0.00 C ATOM 566 CD1 LEU A 417 1.392 -3.174 -4.030 1.00 0.00 C ATOM 567 CD2 LEU A 417 1.250 -0.733 -3.515 1.00 0.00 C ATOM 0 H LEU A 417 2.176 -1.341 -8.229 1.00 0.00 H new ATOM 0 HA LEU A 417 1.078 -3.475 -6.678 1.00 0.00 H new ATOM 0 HB2 LEU A 417 2.457 -1.473 -5.909 1.00 0.00 H new ATOM 0 HB3 LEU A 417 1.046 -0.472 -6.187 1.00 0.00 H new ATOM 0 HG LEU A 417 -0.242 -1.886 -4.575 1.00 0.00 H new ATOM 0 HD11 LEU A 417 1.005 -3.386 -3.033 1.00 0.00 H new ATOM 0 HD12 LEU A 417 1.079 -3.961 -4.716 1.00 0.00 H new ATOM 0 HD13 LEU A 417 2.481 -3.134 -3.996 1.00 0.00 H new ATOM 0 HD21 LEU A 417 0.875 -0.990 -2.524 1.00 0.00 H new ATOM 0 HD22 LEU A 417 2.337 -0.655 -3.482 1.00 0.00 H new ATOM 0 HD23 LEU A 417 0.827 0.222 -3.827 1.00 0.00 H new ATOM 579 N LEU A 418 -1.088 -1.386 -8.035 1.00 0.00 N ATOM 580 CA LEU A 418 -2.505 -1.215 -8.367 1.00 0.00 C ATOM 581 C LEU A 418 -3.072 -2.422 -9.107 1.00 0.00 C ATOM 582 O LEU A 418 -4.043 -3.009 -8.638 1.00 0.00 O ATOM 583 CB LEU A 418 -2.673 0.066 -9.194 1.00 0.00 C ATOM 584 CG LEU A 418 -4.107 0.358 -9.677 1.00 0.00 C ATOM 585 CD1 LEU A 418 -5.054 0.679 -8.517 1.00 0.00 C ATOM 586 CD2 LEU A 418 -4.075 1.532 -10.654 1.00 0.00 C ATOM 0 H LEU A 418 -0.483 -0.681 -8.456 1.00 0.00 H new ATOM 0 HA LEU A 418 -3.070 -1.130 -7.439 1.00 0.00 H new ATOM 0 HB2 LEU A 418 -2.330 0.911 -8.597 1.00 0.00 H new ATOM 0 HB3 LEU A 418 -2.020 0.004 -10.065 1.00 0.00 H new ATOM 0 HG LEU A 418 -4.486 -0.539 -10.167 1.00 0.00 H new ATOM 0 HD11 LEU A 418 -6.052 0.878 -8.907 1.00 0.00 H new ATOM 0 HD12 LEU A 418 -5.093 -0.170 -7.834 1.00 0.00 H new ATOM 0 HD13 LEU A 418 -4.691 1.558 -7.984 1.00 0.00 H new ATOM 0 HD21 LEU A 418 -5.086 1.745 -11.000 1.00 0.00 H new ATOM 0 HD22 LEU A 418 -3.671 2.411 -10.153 1.00 0.00 H new ATOM 0 HD23 LEU A 418 -3.445 1.279 -11.507 1.00 0.00 H new ATOM 598 N GLN A 419 -2.488 -2.806 -10.244 1.00 0.00 N ATOM 599 CA GLN A 419 -3.048 -3.866 -11.091 1.00 0.00 C ATOM 600 C GLN A 419 -3.016 -5.248 -10.405 1.00 0.00 C ATOM 601 O GLN A 419 -3.776 -6.137 -10.787 1.00 0.00 O ATOM 602 CB GLN A 419 -2.310 -3.901 -12.443 1.00 0.00 C ATOM 603 CG GLN A 419 -2.498 -2.634 -13.299 1.00 0.00 C ATOM 604 CD GLN A 419 -3.955 -2.384 -13.687 1.00 0.00 C ATOM 605 OE1 GLN A 419 -4.706 -1.727 -12.979 1.00 0.00 O ATOM 606 NE2 GLN A 419 -4.418 -2.900 -14.808 1.00 0.00 N ATOM 0 H GLN A 419 -1.624 -2.398 -10.602 1.00 0.00 H new ATOM 0 HA GLN A 419 -4.099 -3.632 -11.263 1.00 0.00 H new ATOM 0 HB2 GLN A 419 -1.246 -4.047 -12.259 1.00 0.00 H new ATOM 0 HB3 GLN A 419 -2.657 -4.764 -13.011 1.00 0.00 H new ATOM 0 HG2 GLN A 419 -2.122 -1.772 -12.749 1.00 0.00 H new ATOM 0 HG3 GLN A 419 -1.897 -2.722 -14.204 1.00 0.00 H new ATOM 0 HE21 GLN A 419 -3.804 -3.450 -15.408 1.00 0.00 H new ATOM 0 HE22 GLN A 419 -5.391 -2.749 -15.075 1.00 0.00 H new ATOM 615 N MET A 420 -2.191 -5.417 -9.363 1.00 0.00 N ATOM 616 CA MET A 420 -2.124 -6.623 -8.530 1.00 0.00 C ATOM 617 C MET A 420 -3.221 -6.674 -7.444 1.00 0.00 C ATOM 618 O MET A 420 -3.654 -7.764 -7.070 1.00 0.00 O ATOM 619 CB MET A 420 -0.712 -6.692 -7.929 1.00 0.00 C ATOM 620 CG MET A 420 -0.407 -8.035 -7.262 1.00 0.00 C ATOM 621 SD MET A 420 1.352 -8.318 -6.908 1.00 0.00 S ATOM 622 CE MET A 420 1.664 -7.045 -5.659 1.00 0.00 C ATOM 0 H MET A 420 -1.532 -4.696 -9.068 1.00 0.00 H new ATOM 0 HA MET A 420 -2.316 -7.499 -9.150 1.00 0.00 H new ATOM 0 HB2 MET A 420 0.020 -6.509 -8.716 1.00 0.00 H new ATOM 0 HB3 MET A 420 -0.597 -5.894 -7.195 1.00 0.00 H new ATOM 0 HG2 MET A 420 -0.967 -8.098 -6.329 1.00 0.00 H new ATOM 0 HG3 MET A 420 -0.769 -8.837 -7.906 1.00 0.00 H new ATOM 0 HE1 MET A 420 2.706 -7.093 -5.342 1.00 0.00 H new ATOM 0 HE2 MET A 420 1.459 -6.062 -6.082 1.00 0.00 H new ATOM 0 HE3 MET A 420 1.015 -7.212 -4.799 1.00 0.00 H new ATOM 632 N PHE A 421 -3.695 -5.515 -6.966 1.00 0.00 N ATOM 633 CA PHE A 421 -4.728 -5.374 -5.925 1.00 0.00 C ATOM 634 C PHE A 421 -6.140 -5.044 -6.463 1.00 0.00 C ATOM 635 O PHE A 421 -7.140 -5.328 -5.803 1.00 0.00 O ATOM 636 CB PHE A 421 -4.242 -4.344 -4.892 1.00 0.00 C ATOM 637 CG PHE A 421 -3.320 -4.916 -3.826 1.00 0.00 C ATOM 638 CD1 PHE A 421 -1.979 -5.236 -4.116 1.00 0.00 C ATOM 639 CD2 PHE A 421 -3.814 -5.135 -2.524 1.00 0.00 C ATOM 640 CE1 PHE A 421 -1.145 -5.765 -3.113 1.00 0.00 C ATOM 641 CE2 PHE A 421 -2.988 -5.686 -1.529 1.00 0.00 C ATOM 642 CZ PHE A 421 -1.654 -6.008 -1.826 1.00 0.00 C ATOM 0 H PHE A 421 -3.358 -4.614 -7.306 1.00 0.00 H new ATOM 0 HA PHE A 421 -4.857 -6.348 -5.452 1.00 0.00 H new ATOM 0 HB2 PHE A 421 -3.721 -3.541 -5.414 1.00 0.00 H new ATOM 0 HB3 PHE A 421 -5.109 -3.898 -4.405 1.00 0.00 H new ATOM 0 HD1 PHE A 421 -1.590 -5.075 -5.111 1.00 0.00 H new ATOM 0 HD2 PHE A 421 -4.836 -4.877 -2.289 1.00 0.00 H new ATOM 0 HE1 PHE A 421 -0.111 -5.985 -3.333 1.00 0.00 H new ATOM 0 HE2 PHE A 421 -3.379 -5.861 -0.538 1.00 0.00 H new ATOM 0 HZ PHE A 421 -1.020 -6.442 -1.067 1.00 0.00 H new ATOM 652 N MET A 422 -6.246 -4.507 -7.681 1.00 0.00 N ATOM 653 CA MET A 422 -7.503 -4.221 -8.398 1.00 0.00 C ATOM 654 C MET A 422 -8.535 -5.374 -8.457 1.00 0.00 C ATOM 655 O MET A 422 -9.727 -5.077 -8.330 1.00 0.00 O ATOM 656 CB MET A 422 -7.142 -3.751 -9.814 1.00 0.00 C ATOM 657 CG MET A 422 -6.784 -2.260 -9.828 1.00 0.00 C ATOM 658 SD MET A 422 -8.153 -1.127 -10.160 1.00 0.00 S ATOM 659 CE MET A 422 -8.174 -1.325 -11.959 1.00 0.00 C ATOM 0 H MET A 422 -5.423 -4.246 -8.224 1.00 0.00 H new ATOM 0 HA MET A 422 -8.015 -3.451 -7.820 1.00 0.00 H new ATOM 0 HB2 MET A 422 -6.301 -4.333 -10.190 1.00 0.00 H new ATOM 0 HB3 MET A 422 -7.981 -3.933 -10.486 1.00 0.00 H new ATOM 0 HG2 MET A 422 -6.348 -2.001 -8.863 1.00 0.00 H new ATOM 0 HG3 MET A 422 -6.012 -2.098 -10.580 1.00 0.00 H new ATOM 0 HE1 MET A 422 -8.961 -0.702 -12.384 1.00 0.00 H new ATOM 0 HE2 MET A 422 -7.210 -1.023 -12.370 1.00 0.00 H new ATOM 0 HE3 MET A 422 -8.364 -2.369 -12.208 1.00 0.00 H new ATOM 669 N PRO A 423 -8.144 -6.661 -8.606 1.00 0.00 N ATOM 670 CA PRO A 423 -9.056 -7.808 -8.552 1.00 0.00 C ATOM 671 C PRO A 423 -9.936 -7.924 -7.295 1.00 0.00 C ATOM 672 O PRO A 423 -10.935 -8.642 -7.336 1.00 0.00 O ATOM 673 CB PRO A 423 -8.161 -9.044 -8.680 1.00 0.00 C ATOM 674 CG PRO A 423 -7.010 -8.549 -9.546 1.00 0.00 C ATOM 675 CD PRO A 423 -6.838 -7.106 -9.081 1.00 0.00 C ATOM 0 HA PRO A 423 -9.786 -7.693 -9.353 1.00 0.00 H new ATOM 0 HB2 PRO A 423 -7.813 -9.392 -7.707 1.00 0.00 H new ATOM 0 HB3 PRO A 423 -8.688 -9.876 -9.147 1.00 0.00 H new ATOM 0 HG2 PRO A 423 -6.105 -9.135 -9.390 1.00 0.00 H new ATOM 0 HG3 PRO A 423 -7.248 -8.607 -10.608 1.00 0.00 H new ATOM 0 HD2 PRO A 423 -6.094 -7.041 -8.287 1.00 0.00 H new ATOM 0 HD3 PRO A 423 -6.488 -6.475 -9.898 1.00 0.00 H new ATOM 683 N PHE A 424 -9.596 -7.238 -6.193 1.00 0.00 N ATOM 684 CA PHE A 424 -10.289 -7.358 -4.902 1.00 0.00 C ATOM 685 C PHE A 424 -11.295 -6.224 -4.625 1.00 0.00 C ATOM 686 O PHE A 424 -11.989 -6.264 -3.606 1.00 0.00 O ATOM 687 CB PHE A 424 -9.234 -7.488 -3.790 1.00 0.00 C ATOM 688 CG PHE A 424 -8.145 -8.505 -4.091 1.00 0.00 C ATOM 689 CD1 PHE A 424 -8.488 -9.841 -4.383 1.00 0.00 C ATOM 690 CD2 PHE A 424 -6.798 -8.102 -4.172 1.00 0.00 C ATOM 691 CE1 PHE A 424 -7.499 -10.753 -4.790 1.00 0.00 C ATOM 692 CE2 PHE A 424 -5.813 -9.013 -4.585 1.00 0.00 C ATOM 693 CZ PHE A 424 -6.161 -10.338 -4.897 1.00 0.00 C ATOM 0 H PHE A 424 -8.821 -6.575 -6.174 1.00 0.00 H new ATOM 0 HA PHE A 424 -10.907 -8.256 -4.932 1.00 0.00 H new ATOM 0 HB2 PHE A 424 -8.773 -6.514 -3.625 1.00 0.00 H new ATOM 0 HB3 PHE A 424 -9.732 -7.767 -2.861 1.00 0.00 H new ATOM 0 HD1 PHE A 424 -9.514 -10.165 -4.294 1.00 0.00 H new ATOM 0 HD2 PHE A 424 -6.522 -7.090 -3.916 1.00 0.00 H new ATOM 0 HE1 PHE A 424 -7.768 -11.773 -5.021 1.00 0.00 H new ATOM 0 HE2 PHE A 424 -4.784 -8.694 -4.663 1.00 0.00 H new ATOM 0 HZ PHE A 424 -5.402 -11.036 -5.218 1.00 0.00 H new ATOM 703 N GLY A 425 -11.414 -5.239 -5.531 1.00 0.00 N ATOM 704 CA GLY A 425 -12.407 -4.156 -5.473 1.00 0.00 C ATOM 705 C GLY A 425 -11.906 -2.798 -5.963 1.00 0.00 C ATOM 706 O GLY A 425 -10.804 -2.668 -6.496 1.00 0.00 O ATOM 0 H GLY A 425 -10.804 -5.173 -6.346 1.00 0.00 H new ATOM 0 HA2 GLY A 425 -13.273 -4.444 -6.069 1.00 0.00 H new ATOM 0 HA3 GLY A 425 -12.749 -4.051 -4.443 1.00 0.00 H new ATOM 710 N ASN A 426 -12.739 -1.770 -5.788 1.00 0.00 N ATOM 711 CA ASN A 426 -12.482 -0.412 -6.278 1.00 0.00 C ATOM 712 C ASN A 426 -11.371 0.291 -5.469 1.00 0.00 C ATOM 713 O ASN A 426 -11.581 0.652 -4.309 1.00 0.00 O ATOM 714 CB ASN A 426 -13.802 0.380 -6.254 1.00 0.00 C ATOM 715 CG ASN A 426 -13.671 1.798 -6.812 1.00 0.00 C ATOM 716 OD1 ASN A 426 -12.706 2.149 -7.482 1.00 0.00 O ATOM 717 ND2 ASN A 426 -14.644 2.652 -6.554 1.00 0.00 N ATOM 0 H ASN A 426 -13.627 -1.858 -5.293 1.00 0.00 H new ATOM 0 HA ASN A 426 -12.115 -0.463 -7.303 1.00 0.00 H new ATOM 0 HB2 ASN A 426 -14.552 -0.161 -6.831 1.00 0.00 H new ATOM 0 HB3 ASN A 426 -14.166 0.434 -5.228 1.00 0.00 H new ATOM 0 HD21 ASN A 426 -14.594 3.606 -6.912 1.00 0.00 H new ATOM 0 HD22 ASN A 426 -15.446 2.358 -5.996 1.00 0.00 H new ATOM 724 N VAL A 427 -10.207 0.504 -6.090 1.00 0.00 N ATOM 725 CA VAL A 427 -9.052 1.216 -5.513 1.00 0.00 C ATOM 726 C VAL A 427 -9.127 2.705 -5.880 1.00 0.00 C ATOM 727 O VAL A 427 -9.254 3.053 -7.053 1.00 0.00 O ATOM 728 CB VAL A 427 -7.712 0.599 -5.982 1.00 0.00 C ATOM 729 CG1 VAL A 427 -6.510 1.387 -5.439 1.00 0.00 C ATOM 730 CG2 VAL A 427 -7.571 -0.865 -5.529 1.00 0.00 C ATOM 0 H VAL A 427 -10.032 0.176 -7.040 1.00 0.00 H new ATOM 0 HA VAL A 427 -9.091 1.113 -4.429 1.00 0.00 H new ATOM 0 HB VAL A 427 -7.722 0.645 -7.071 1.00 0.00 H new ATOM 0 HG11 VAL A 427 -5.586 0.927 -5.788 1.00 0.00 H new ATOM 0 HG12 VAL A 427 -6.559 2.416 -5.794 1.00 0.00 H new ATOM 0 HG13 VAL A 427 -6.531 1.378 -4.349 1.00 0.00 H new ATOM 0 HG21 VAL A 427 -6.618 -1.263 -5.877 1.00 0.00 H new ATOM 0 HG22 VAL A 427 -7.609 -0.914 -4.441 1.00 0.00 H new ATOM 0 HG23 VAL A 427 -8.386 -1.456 -5.948 1.00 0.00 H new ATOM 740 N VAL A 428 -9.028 3.570 -4.869 1.00 0.00 N ATOM 741 CA VAL A 428 -9.065 5.043 -4.971 1.00 0.00 C ATOM 742 C VAL A 428 -7.654 5.627 -5.145 1.00 0.00 C ATOM 743 O VAL A 428 -7.479 6.602 -5.875 1.00 0.00 O ATOM 744 CB VAL A 428 -9.749 5.659 -3.721 1.00 0.00 C ATOM 745 CG1 VAL A 428 -9.761 7.199 -3.734 1.00 0.00 C ATOM 746 CG2 VAL A 428 -11.201 5.164 -3.599 1.00 0.00 C ATOM 0 H VAL A 428 -8.914 3.254 -3.906 1.00 0.00 H new ATOM 0 HA VAL A 428 -9.649 5.299 -5.855 1.00 0.00 H new ATOM 0 HB VAL A 428 -9.155 5.332 -2.867 1.00 0.00 H new ATOM 0 HG11 VAL A 428 -10.253 7.567 -2.833 1.00 0.00 H new ATOM 0 HG12 VAL A 428 -8.737 7.571 -3.765 1.00 0.00 H new ATOM 0 HG13 VAL A 428 -10.302 7.551 -4.612 1.00 0.00 H new ATOM 0 HG21 VAL A 428 -11.663 5.607 -2.717 1.00 0.00 H new ATOM 0 HG22 VAL A 428 -11.761 5.456 -4.487 1.00 0.00 H new ATOM 0 HG23 VAL A 428 -11.209 4.078 -3.506 1.00 0.00 H new ATOM 756 N SER A 429 -6.634 5.006 -4.544 1.00 0.00 N ATOM 757 CA SER A 429 -5.220 5.365 -4.723 1.00 0.00 C ATOM 758 C SER A 429 -4.291 4.188 -4.396 1.00 0.00 C ATOM 759 O SER A 429 -4.619 3.329 -3.571 1.00 0.00 O ATOM 760 CB SER A 429 -4.839 6.609 -3.903 1.00 0.00 C ATOM 761 OG SER A 429 -4.858 6.359 -2.509 1.00 0.00 O ATOM 0 H SER A 429 -6.769 4.222 -3.905 1.00 0.00 H new ATOM 0 HA SER A 429 -5.088 5.611 -5.777 1.00 0.00 H new ATOM 0 HB2 SER A 429 -3.844 6.944 -4.196 1.00 0.00 H new ATOM 0 HB3 SER A 429 -5.530 7.420 -4.134 1.00 0.00 H new ATOM 0 HG SER A 429 -5.512 6.950 -2.080 1.00 0.00 H new ATOM 767 N ALA A 430 -3.123 4.150 -5.042 1.00 0.00 N ATOM 768 CA ALA A 430 -2.090 3.140 -4.836 1.00 0.00 C ATOM 769 C ALA A 430 -0.704 3.765 -5.029 1.00 0.00 C ATOM 770 O ALA A 430 -0.468 4.512 -5.986 1.00 0.00 O ATOM 771 CB ALA A 430 -2.328 1.971 -5.800 1.00 0.00 C ATOM 0 H ALA A 430 -2.865 4.844 -5.744 1.00 0.00 H new ATOM 0 HA ALA A 430 -2.137 2.756 -3.817 1.00 0.00 H new ATOM 0 HB1 ALA A 430 -1.559 1.213 -5.650 1.00 0.00 H new ATOM 0 HB2 ALA A 430 -3.309 1.535 -5.608 1.00 0.00 H new ATOM 0 HB3 ALA A 430 -2.286 2.332 -6.827 1.00 0.00 H new ATOM 777 N LYS A 431 0.216 3.468 -4.110 1.00 0.00 N ATOM 778 CA LYS A 431 1.526 4.120 -4.054 1.00 0.00 C ATOM 779 C LYS A 431 2.581 3.227 -3.382 1.00 0.00 C ATOM 780 O LYS A 431 2.411 2.822 -2.235 1.00 0.00 O ATOM 781 CB LYS A 431 1.364 5.477 -3.339 1.00 0.00 C ATOM 782 CG LYS A 431 2.646 6.320 -3.385 1.00 0.00 C ATOM 783 CD LYS A 431 2.392 7.733 -2.842 1.00 0.00 C ATOM 784 CE LYS A 431 3.651 8.609 -2.895 1.00 0.00 C ATOM 785 NZ LYS A 431 4.066 8.942 -4.282 1.00 0.00 N ATOM 0 H LYS A 431 0.074 2.768 -3.382 1.00 0.00 H new ATOM 0 HA LYS A 431 1.893 4.292 -5.066 1.00 0.00 H new ATOM 0 HB2 LYS A 431 0.550 6.034 -3.803 1.00 0.00 H new ATOM 0 HB3 LYS A 431 1.082 5.306 -2.300 1.00 0.00 H new ATOM 0 HG2 LYS A 431 3.426 5.835 -2.798 1.00 0.00 H new ATOM 0 HG3 LYS A 431 3.010 6.380 -4.411 1.00 0.00 H new ATOM 0 HD2 LYS A 431 1.598 8.205 -3.420 1.00 0.00 H new ATOM 0 HD3 LYS A 431 2.040 7.667 -1.812 1.00 0.00 H new ATOM 0 HE2 LYS A 431 3.469 9.532 -2.344 1.00 0.00 H new ATOM 0 HE3 LYS A 431 4.468 8.093 -2.391 1.00 0.00 H new ATOM 0 HZ1 LYS A 431 4.697 9.768 -4.267 1.00 0.00 H new ATOM 0 HZ2 LYS A 431 4.567 8.131 -4.698 1.00 0.00 H new ATOM 0 HZ3 LYS A 431 3.225 9.160 -4.853 1.00 0.00 H new ATOM 799 N VAL A 432 3.678 2.946 -4.079 1.00 0.00 N ATOM 800 CA VAL A 432 4.880 2.303 -3.527 1.00 0.00 C ATOM 801 C VAL A 432 5.783 3.427 -3.016 1.00 0.00 C ATOM 802 O VAL A 432 5.925 4.450 -3.688 1.00 0.00 O ATOM 803 CB VAL A 432 5.612 1.448 -4.587 1.00 0.00 C ATOM 804 CG1 VAL A 432 6.841 0.749 -3.985 1.00 0.00 C ATOM 805 CG2 VAL A 432 4.692 0.359 -5.167 1.00 0.00 C ATOM 0 H VAL A 432 3.764 3.163 -5.072 1.00 0.00 H new ATOM 0 HA VAL A 432 4.608 1.619 -2.723 1.00 0.00 H new ATOM 0 HB VAL A 432 5.918 2.135 -5.376 1.00 0.00 H new ATOM 0 HG11 VAL A 432 7.335 0.155 -4.754 1.00 0.00 H new ATOM 0 HG12 VAL A 432 7.535 1.498 -3.603 1.00 0.00 H new ATOM 0 HG13 VAL A 432 6.526 0.097 -3.170 1.00 0.00 H new ATOM 0 HG21 VAL A 432 5.239 -0.223 -5.909 1.00 0.00 H new ATOM 0 HG22 VAL A 432 4.357 -0.299 -4.365 1.00 0.00 H new ATOM 0 HG23 VAL A 432 3.827 0.826 -5.638 1.00 0.00 H new ATOM 815 N PHE A 433 6.366 3.273 -1.825 1.00 0.00 N ATOM 816 CA PHE A 433 7.236 4.294 -1.248 1.00 0.00 C ATOM 817 C PHE A 433 8.623 4.236 -1.904 1.00 0.00 C ATOM 818 O PHE A 433 9.350 3.246 -1.780 1.00 0.00 O ATOM 819 CB PHE A 433 7.281 4.141 0.274 1.00 0.00 C ATOM 820 CG PHE A 433 7.885 5.338 0.985 1.00 0.00 C ATOM 821 CD1 PHE A 433 9.281 5.445 1.121 1.00 0.00 C ATOM 822 CD2 PHE A 433 7.056 6.354 1.502 1.00 0.00 C ATOM 823 CE1 PHE A 433 9.845 6.544 1.794 1.00 0.00 C ATOM 824 CE2 PHE A 433 7.622 7.456 2.169 1.00 0.00 C ATOM 825 CZ PHE A 433 9.015 7.539 2.332 1.00 0.00 C ATOM 0 H PHE A 433 6.249 2.445 -1.241 1.00 0.00 H new ATOM 0 HA PHE A 433 6.836 5.287 -1.452 1.00 0.00 H new ATOM 0 HB2 PHE A 433 6.269 3.981 0.645 1.00 0.00 H new ATOM 0 HB3 PHE A 433 7.857 3.250 0.525 1.00 0.00 H new ATOM 0 HD1 PHE A 433 9.922 4.681 0.707 1.00 0.00 H new ATOM 0 HD2 PHE A 433 5.984 6.286 1.386 1.00 0.00 H new ATOM 0 HE1 PHE A 433 10.917 6.622 1.897 1.00 0.00 H new ATOM 0 HE2 PHE A 433 6.986 8.238 2.556 1.00 0.00 H new ATOM 0 HZ PHE A 433 9.447 8.369 2.872 1.00 0.00 H new ATOM 835 N ILE A 434 8.984 5.300 -2.621 1.00 0.00 N ATOM 836 CA ILE A 434 10.228 5.418 -3.394 1.00 0.00 C ATOM 837 C ILE A 434 11.167 6.402 -2.688 1.00 0.00 C ATOM 838 O ILE A 434 10.771 7.526 -2.383 1.00 0.00 O ATOM 839 CB ILE A 434 9.926 5.869 -4.844 1.00 0.00 C ATOM 840 CG1 ILE A 434 8.816 5.071 -5.567 1.00 0.00 C ATOM 841 CG2 ILE A 434 11.211 5.824 -5.685 1.00 0.00 C ATOM 842 CD1 ILE A 434 8.998 3.546 -5.608 1.00 0.00 C ATOM 0 H ILE A 434 8.401 6.134 -2.684 1.00 0.00 H new ATOM 0 HA ILE A 434 10.717 4.446 -3.451 1.00 0.00 H new ATOM 0 HB ILE A 434 9.545 6.886 -4.749 1.00 0.00 H new ATOM 0 HG12 ILE A 434 7.865 5.290 -5.082 1.00 0.00 H new ATOM 0 HG13 ILE A 434 8.743 5.436 -6.592 1.00 0.00 H new ATOM 0 HG21 ILE A 434 10.990 6.143 -6.704 1.00 0.00 H new ATOM 0 HG22 ILE A 434 11.955 6.491 -5.249 1.00 0.00 H new ATOM 0 HG23 ILE A 434 11.601 4.806 -5.700 1.00 0.00 H new ATOM 0 HD11 ILE A 434 8.160 3.094 -6.139 1.00 0.00 H new ATOM 0 HD12 ILE A 434 9.928 3.304 -6.123 1.00 0.00 H new ATOM 0 HD13 ILE A 434 9.035 3.157 -4.591 1.00 0.00 H new ATOM 952 N SER A 441 12.525 1.615 -4.781 1.00 0.00 N ATOM 953 CA SER A 441 11.470 1.253 -3.828 1.00 0.00 C ATOM 954 C SER A 441 12.082 0.776 -2.506 1.00 0.00 C ATOM 955 O SER A 441 13.019 -0.025 -2.489 1.00 0.00 O ATOM 956 CB SER A 441 10.556 0.176 -4.426 1.00 0.00 C ATOM 957 OG SER A 441 9.779 -0.470 -3.426 1.00 0.00 O ATOM 0 HA SER A 441 10.867 2.138 -3.624 1.00 0.00 H new ATOM 0 HB2 SER A 441 9.894 0.629 -5.164 1.00 0.00 H new ATOM 0 HB3 SER A 441 11.161 -0.564 -4.951 1.00 0.00 H new ATOM 0 HG SER A 441 9.807 -1.440 -3.565 1.00 0.00 H new ATOM 963 N LYS A 442 11.520 1.220 -1.379 1.00 0.00 N ATOM 964 CA LYS A 442 11.914 0.777 -0.035 1.00 0.00 C ATOM 965 C LYS A 442 11.260 -0.562 0.382 1.00 0.00 C ATOM 966 O LYS A 442 11.195 -0.881 1.570 1.00 0.00 O ATOM 967 CB LYS A 442 11.664 1.921 0.965 1.00 0.00 C ATOM 968 CG LYS A 442 12.466 3.187 0.603 1.00 0.00 C ATOM 969 CD LYS A 442 12.650 4.135 1.799 1.00 0.00 C ATOM 970 CE LYS A 442 13.651 3.580 2.819 1.00 0.00 C ATOM 971 NZ LYS A 442 15.053 3.745 2.354 1.00 0.00 N ATOM 0 H LYS A 442 10.767 1.908 -1.372 1.00 0.00 H new ATOM 0 HA LYS A 442 12.981 0.553 -0.040 1.00 0.00 H new ATOM 0 HB2 LYS A 442 10.600 2.159 0.986 1.00 0.00 H new ATOM 0 HB3 LYS A 442 11.937 1.593 1.968 1.00 0.00 H new ATOM 0 HG2 LYS A 442 13.445 2.895 0.222 1.00 0.00 H new ATOM 0 HG3 LYS A 442 11.956 3.718 -0.201 1.00 0.00 H new ATOM 0 HD2 LYS A 442 12.995 5.106 1.443 1.00 0.00 H new ATOM 0 HD3 LYS A 442 11.688 4.297 2.285 1.00 0.00 H new ATOM 0 HE2 LYS A 442 13.521 4.091 3.773 1.00 0.00 H new ATOM 0 HE3 LYS A 442 13.446 2.524 2.993 1.00 0.00 H new ATOM 0 HZ1 LYS A 442 15.704 3.374 3.075 1.00 0.00 H new ATOM 0 HZ2 LYS A 442 15.188 3.223 1.465 1.00 0.00 H new ATOM 0 HZ3 LYS A 442 15.250 4.754 2.196 1.00 0.00 H new ATOM 985 N CYS A 443 10.732 -1.322 -0.589 1.00 0.00 N ATOM 986 CA CYS A 443 10.079 -2.634 -0.435 1.00 0.00 C ATOM 987 C CYS A 443 8.706 -2.568 0.263 1.00 0.00 C ATOM 988 O CYS A 443 8.165 -3.613 0.630 1.00 0.00 O ATOM 989 CB CYS A 443 11.035 -3.650 0.227 1.00 0.00 C ATOM 990 SG CYS A 443 12.484 -3.926 -0.831 1.00 0.00 S ATOM 0 H CYS A 443 10.750 -1.020 -1.563 1.00 0.00 H new ATOM 0 HA CYS A 443 9.857 -2.990 -1.441 1.00 0.00 H new ATOM 0 HB2 CYS A 443 11.352 -3.280 1.202 1.00 0.00 H new ATOM 0 HB3 CYS A 443 10.515 -4.593 0.397 1.00 0.00 H new ATOM 0 HG CYS A 443 12.132 -4.611 -1.878 1.00 0.00 H new ATOM 996 N PHE A 444 8.126 -1.372 0.422 1.00 0.00 N ATOM 997 CA PHE A 444 6.833 -1.159 1.073 1.00 0.00 C ATOM 998 C PHE A 444 5.957 -0.155 0.315 1.00 0.00 C ATOM 999 O PHE A 444 6.460 0.735 -0.374 1.00 0.00 O ATOM 1000 CB PHE A 444 7.028 -0.800 2.555 1.00 0.00 C ATOM 1001 CG PHE A 444 7.462 0.615 2.891 1.00 0.00 C ATOM 1002 CD1 PHE A 444 6.518 1.660 2.921 1.00 0.00 C ATOM 1003 CD2 PHE A 444 8.796 0.877 3.262 1.00 0.00 C ATOM 1004 CE1 PHE A 444 6.912 2.957 3.293 1.00 0.00 C ATOM 1005 CE2 PHE A 444 9.188 2.174 3.637 1.00 0.00 C ATOM 1006 CZ PHE A 444 8.247 3.217 3.648 1.00 0.00 C ATOM 0 H PHE A 444 8.555 -0.507 0.093 1.00 0.00 H new ATOM 0 HA PHE A 444 6.279 -2.097 1.042 1.00 0.00 H new ATOM 0 HB2 PHE A 444 6.088 -0.994 3.073 1.00 0.00 H new ATOM 0 HB3 PHE A 444 7.768 -1.484 2.971 1.00 0.00 H new ATOM 0 HD1 PHE A 444 5.489 1.464 2.658 1.00 0.00 H new ATOM 0 HD2 PHE A 444 9.521 0.077 3.258 1.00 0.00 H new ATOM 0 HE1 PHE A 444 6.186 3.757 3.306 1.00 0.00 H new ATOM 0 HE2 PHE A 444 10.213 2.369 3.917 1.00 0.00 H new ATOM 0 HZ PHE A 444 8.548 4.216 3.928 1.00 0.00 H new ATOM 1016 N GLY A 445 4.639 -0.322 0.428 1.00 0.00 N ATOM 1017 CA GLY A 445 3.635 0.478 -0.272 1.00 0.00 C ATOM 1018 C GLY A 445 2.252 0.439 0.371 1.00 0.00 C ATOM 1019 O GLY A 445 2.041 -0.193 1.409 1.00 0.00 O ATOM 0 H GLY A 445 4.229 -1.039 1.027 1.00 0.00 H new ATOM 0 HA2 GLY A 445 3.975 1.513 -0.315 1.00 0.00 H new ATOM 0 HA3 GLY A 445 3.556 0.125 -1.300 1.00 0.00 H new ATOM 1023 N PHE A 446 1.308 1.119 -0.277 1.00 0.00 N ATOM 1024 CA PHE A 446 -0.029 1.410 0.227 1.00 0.00 C ATOM 1025 C PHE A 446 -1.085 1.249 -0.868 1.00 0.00 C ATOM 1026 O PHE A 446 -0.829 1.555 -2.034 1.00 0.00 O ATOM 1027 CB PHE A 446 -0.075 2.848 0.774 1.00 0.00 C ATOM 1028 CG PHE A 446 0.963 3.141 1.835 1.00 0.00 C ATOM 1029 CD1 PHE A 446 0.717 2.795 3.176 1.00 0.00 C ATOM 1030 CD2 PHE A 446 2.194 3.720 1.471 1.00 0.00 C ATOM 1031 CE1 PHE A 446 1.700 3.031 4.152 1.00 0.00 C ATOM 1032 CE2 PHE A 446 3.183 3.936 2.444 1.00 0.00 C ATOM 1033 CZ PHE A 446 2.936 3.591 3.782 1.00 0.00 C ATOM 0 H PHE A 446 1.464 1.499 -1.211 1.00 0.00 H new ATOM 0 HA PHE A 446 -0.251 0.700 1.024 1.00 0.00 H new ATOM 0 HB2 PHE A 446 0.061 3.544 -0.054 1.00 0.00 H new ATOM 0 HB3 PHE A 446 -1.065 3.036 1.189 1.00 0.00 H new ATOM 0 HD1 PHE A 446 -0.226 2.349 3.455 1.00 0.00 H new ATOM 0 HD2 PHE A 446 2.377 3.998 0.444 1.00 0.00 H new ATOM 0 HE1 PHE A 446 1.507 2.783 5.185 1.00 0.00 H new ATOM 0 HE2 PHE A 446 4.133 4.367 2.163 1.00 0.00 H new ATOM 0 HZ PHE A 446 3.698 3.756 4.530 1.00 0.00 H new ATOM 1043 N VAL A 447 -2.283 0.818 -0.472 1.00 0.00 N ATOM 1044 CA VAL A 447 -3.462 0.704 -1.349 1.00 0.00 C ATOM 1045 C VAL A 447 -4.695 1.157 -0.566 1.00 0.00 C ATOM 1046 O VAL A 447 -4.958 0.651 0.522 1.00 0.00 O ATOM 1047 CB VAL A 447 -3.658 -0.736 -1.892 1.00 0.00 C ATOM 1048 CG1 VAL A 447 -4.917 -0.848 -2.769 1.00 0.00 C ATOM 1049 CG2 VAL A 447 -2.461 -1.201 -2.739 1.00 0.00 C ATOM 0 H VAL A 447 -2.471 0.530 0.488 1.00 0.00 H new ATOM 0 HA VAL A 447 -3.309 1.342 -2.220 1.00 0.00 H new ATOM 0 HB VAL A 447 -3.757 -1.369 -1.010 1.00 0.00 H new ATOM 0 HG11 VAL A 447 -5.019 -1.871 -3.130 1.00 0.00 H new ATOM 0 HG12 VAL A 447 -5.795 -0.581 -2.181 1.00 0.00 H new ATOM 0 HG13 VAL A 447 -4.830 -0.171 -3.619 1.00 0.00 H new ATOM 0 HG21 VAL A 447 -2.641 -2.214 -3.098 1.00 0.00 H new ATOM 0 HG22 VAL A 447 -2.335 -0.531 -3.590 1.00 0.00 H new ATOM 0 HG23 VAL A 447 -1.557 -1.188 -2.130 1.00 0.00 H new ATOM 1059 N SER A 448 -5.437 2.112 -1.116 1.00 0.00 N ATOM 1060 CA SER A 448 -6.640 2.690 -0.510 1.00 0.00 C ATOM 1061 C SER A 448 -7.884 2.333 -1.327 1.00 0.00 C ATOM 1062 O SER A 448 -8.042 2.780 -2.465 1.00 0.00 O ATOM 1063 CB SER A 448 -6.511 4.216 -0.438 1.00 0.00 C ATOM 1064 OG SER A 448 -5.444 4.612 0.407 1.00 0.00 O ATOM 0 H SER A 448 -5.214 2.521 -2.024 1.00 0.00 H new ATOM 0 HA SER A 448 -6.743 2.280 0.495 1.00 0.00 H new ATOM 0 HB2 SER A 448 -6.350 4.615 -1.439 1.00 0.00 H new ATOM 0 HB3 SER A 448 -7.444 4.643 -0.071 1.00 0.00 H new ATOM 0 HG SER A 448 -5.725 4.541 1.343 1.00 0.00 H new ATOM 1070 N TYR A 449 -8.787 1.546 -0.747 1.00 0.00 N ATOM 1071 CA TYR A 449 -10.064 1.168 -1.365 1.00 0.00 C ATOM 1072 C TYR A 449 -11.178 2.194 -1.095 1.00 0.00 C ATOM 1073 O TYR A 449 -11.078 3.043 -0.208 1.00 0.00 O ATOM 1074 CB TYR A 449 -10.464 -0.231 -0.876 1.00 0.00 C ATOM 1075 CG TYR A 449 -9.616 -1.339 -1.465 1.00 0.00 C ATOM 1076 CD1 TYR A 449 -8.419 -1.726 -0.834 1.00 0.00 C ATOM 1077 CD2 TYR A 449 -10.015 -1.965 -2.662 1.00 0.00 C ATOM 1078 CE1 TYR A 449 -7.627 -2.743 -1.395 1.00 0.00 C ATOM 1079 CE2 TYR A 449 -9.225 -2.981 -3.230 1.00 0.00 C ATOM 1080 CZ TYR A 449 -8.026 -3.369 -2.594 1.00 0.00 C ATOM 1081 OH TYR A 449 -7.236 -4.328 -3.141 1.00 0.00 O ATOM 0 H TYR A 449 -8.654 1.144 0.181 1.00 0.00 H new ATOM 0 HA TYR A 449 -9.928 1.153 -2.446 1.00 0.00 H new ATOM 0 HB2 TYR A 449 -10.387 -0.264 0.211 1.00 0.00 H new ATOM 0 HB3 TYR A 449 -11.509 -0.411 -1.127 1.00 0.00 H new ATOM 0 HD1 TYR A 449 -8.109 -1.242 0.080 1.00 0.00 H new ATOM 0 HD2 TYR A 449 -10.932 -1.663 -3.146 1.00 0.00 H new ATOM 0 HE1 TYR A 449 -6.712 -3.045 -0.907 1.00 0.00 H new ATOM 0 HE2 TYR A 449 -9.534 -3.461 -4.147 1.00 0.00 H new ATOM 0 HH TYR A 449 -7.470 -4.445 -4.085 1.00 0.00 H new ATOM 1091 N ASP A 450 -12.274 2.086 -1.847 1.00 0.00 N ATOM 1092 CA ASP A 450 -13.504 2.864 -1.642 1.00 0.00 C ATOM 1093 C ASP A 450 -14.319 2.393 -0.415 1.00 0.00 C ATOM 1094 O ASP A 450 -15.223 3.097 0.036 1.00 0.00 O ATOM 1095 CB ASP A 450 -14.325 2.780 -2.937 1.00 0.00 C ATOM 1096 CG ASP A 450 -15.571 3.681 -2.930 1.00 0.00 C ATOM 1097 OD1 ASP A 450 -15.418 4.924 -2.854 1.00 0.00 O ATOM 1098 OD2 ASP A 450 -16.697 3.141 -3.047 1.00 0.00 O ATOM 0 H ASP A 450 -12.336 1.441 -2.635 1.00 0.00 H new ATOM 0 HA ASP A 450 -13.242 3.899 -1.421 1.00 0.00 H new ATOM 0 HB2 ASP A 450 -13.691 3.057 -3.779 1.00 0.00 H new ATOM 0 HB3 ASP A 450 -14.634 1.747 -3.096 1.00 0.00 H new ATOM 1103 N ASN A 451 -13.990 1.222 0.150 1.00 0.00 N ATOM 1104 CA ASN A 451 -14.687 0.591 1.276 1.00 0.00 C ATOM 1105 C ASN A 451 -13.775 -0.423 2.017 1.00 0.00 C ATOM 1106 O ASN A 451 -12.788 -0.892 1.435 1.00 0.00 O ATOM 1107 CB ASN A 451 -15.977 -0.071 0.748 1.00 0.00 C ATOM 1108 CG ASN A 451 -15.684 -1.387 0.040 1.00 0.00 C ATOM 1109 OD1 ASN A 451 -15.508 -2.411 0.689 1.00 0.00 O ATOM 1110 ND2 ASN A 451 -15.560 -1.394 -1.272 1.00 0.00 N ATOM 0 H ASN A 451 -13.199 0.668 -0.180 1.00 0.00 H new ATOM 0 HA ASN A 451 -14.951 1.350 2.012 1.00 0.00 H new ATOM 0 HB2 ASN A 451 -16.661 -0.248 1.578 1.00 0.00 H new ATOM 0 HB3 ASN A 451 -16.480 0.609 0.060 1.00 0.00 H new ATOM 0 HD21 ASN A 451 -15.315 -2.258 -1.757 1.00 0.00 H new ATOM 0 HD22 ASN A 451 -15.709 -0.536 -1.803 1.00 0.00 H new ATOM 1117 N PRO A 452 -14.095 -0.803 3.271 1.00 0.00 N ATOM 1118 CA PRO A 452 -13.240 -1.667 4.081 1.00 0.00 C ATOM 1119 C PRO A 452 -13.377 -3.167 3.766 1.00 0.00 C ATOM 1120 O PRO A 452 -12.475 -3.926 4.108 1.00 0.00 O ATOM 1121 CB PRO A 452 -13.615 -1.352 5.529 1.00 0.00 C ATOM 1122 CG PRO A 452 -15.088 -0.977 5.440 1.00 0.00 C ATOM 1123 CD PRO A 452 -15.214 -0.312 4.069 1.00 0.00 C ATOM 0 HA PRO A 452 -12.191 -1.465 3.866 1.00 0.00 H new ATOM 0 HB2 PRO A 452 -13.458 -2.212 6.181 1.00 0.00 H new ATOM 0 HB3 PRO A 452 -13.016 -0.534 5.930 1.00 0.00 H new ATOM 0 HG2 PRO A 452 -15.730 -1.855 5.519 1.00 0.00 H new ATOM 0 HG3 PRO A 452 -15.377 -0.298 6.242 1.00 0.00 H new ATOM 0 HD2 PRO A 452 -16.166 -0.564 3.601 1.00 0.00 H new ATOM 0 HD3 PRO A 452 -15.181 0.774 4.159 1.00 0.00 H new ATOM 1131 N VAL A 453 -14.450 -3.614 3.096 1.00 0.00 N ATOM 1132 CA VAL A 453 -14.661 -5.036 2.760 1.00 0.00 C ATOM 1133 C VAL A 453 -13.727 -5.458 1.617 1.00 0.00 C ATOM 1134 O VAL A 453 -13.144 -6.538 1.675 1.00 0.00 O ATOM 1135 CB VAL A 453 -16.137 -5.341 2.400 1.00 0.00 C ATOM 1136 CG1 VAL A 453 -16.364 -6.840 2.131 1.00 0.00 C ATOM 1137 CG2 VAL A 453 -17.088 -4.901 3.529 1.00 0.00 C ATOM 0 H VAL A 453 -15.198 -3.002 2.770 1.00 0.00 H new ATOM 0 HA VAL A 453 -14.422 -5.619 3.649 1.00 0.00 H new ATOM 0 HB VAL A 453 -16.352 -4.777 1.492 1.00 0.00 H new ATOM 0 HG11 VAL A 453 -17.411 -7.010 1.882 1.00 0.00 H new ATOM 0 HG12 VAL A 453 -15.737 -7.159 1.299 1.00 0.00 H new ATOM 0 HG13 VAL A 453 -16.105 -7.413 3.021 1.00 0.00 H new ATOM 0 HG21 VAL A 453 -18.116 -5.128 3.248 1.00 0.00 H new ATOM 0 HG22 VAL A 453 -16.836 -5.435 4.445 1.00 0.00 H new ATOM 0 HG23 VAL A 453 -16.985 -3.828 3.694 1.00 0.00 H new ATOM 1147 N SER A 454 -13.509 -4.592 0.619 1.00 0.00 N ATOM 1148 CA SER A 454 -12.535 -4.835 -0.458 1.00 0.00 C ATOM 1149 C SER A 454 -11.090 -4.874 0.067 1.00 0.00 C ATOM 1150 O SER A 454 -10.307 -5.739 -0.329 1.00 0.00 O ATOM 1151 CB SER A 454 -12.675 -3.754 -1.538 1.00 0.00 C ATOM 1152 OG SER A 454 -13.984 -3.734 -2.099 1.00 0.00 O ATOM 0 H SER A 454 -14.002 -3.703 0.534 1.00 0.00 H new ATOM 0 HA SER A 454 -12.752 -5.814 -0.886 1.00 0.00 H new ATOM 0 HB2 SER A 454 -12.449 -2.778 -1.107 1.00 0.00 H new ATOM 0 HB3 SER A 454 -11.944 -3.931 -2.327 1.00 0.00 H new ATOM 0 HG SER A 454 -13.994 -3.149 -2.885 1.00 0.00 H new ATOM 1158 N ALA A 455 -10.750 -4.000 1.025 1.00 0.00 N ATOM 1159 CA ALA A 455 -9.461 -4.008 1.716 1.00 0.00 C ATOM 1160 C ALA A 455 -9.247 -5.300 2.530 1.00 0.00 C ATOM 1161 O ALA A 455 -8.225 -5.966 2.374 1.00 0.00 O ATOM 1162 CB ALA A 455 -9.391 -2.742 2.579 1.00 0.00 C ATOM 0 H ALA A 455 -11.374 -3.259 1.343 1.00 0.00 H new ATOM 0 HA ALA A 455 -8.646 -4.000 0.993 1.00 0.00 H new ATOM 0 HB1 ALA A 455 -8.439 -2.716 3.110 1.00 0.00 H new ATOM 0 HB2 ALA A 455 -9.475 -1.862 1.941 1.00 0.00 H new ATOM 0 HB3 ALA A 455 -10.209 -2.747 3.300 1.00 0.00 H new ATOM 1168 N GLN A 456 -10.226 -5.705 3.344 1.00 0.00 N ATOM 1169 CA GLN A 456 -10.200 -6.970 4.090 1.00 0.00 C ATOM 1170 C GLN A 456 -10.062 -8.200 3.178 1.00 0.00 C ATOM 1171 O GLN A 456 -9.267 -9.098 3.464 1.00 0.00 O ATOM 1172 CB GLN A 456 -11.484 -7.077 4.930 1.00 0.00 C ATOM 1173 CG GLN A 456 -11.435 -6.256 6.233 1.00 0.00 C ATOM 1174 CD GLN A 456 -10.466 -6.792 7.294 1.00 0.00 C ATOM 1175 OE1 GLN A 456 -9.794 -7.805 7.139 1.00 0.00 O ATOM 1176 NE2 GLN A 456 -10.350 -6.126 8.425 1.00 0.00 N ATOM 0 H GLN A 456 -11.071 -5.157 3.507 1.00 0.00 H new ATOM 0 HA GLN A 456 -9.319 -6.960 4.731 1.00 0.00 H new ATOM 0 HB2 GLN A 456 -12.330 -6.742 4.330 1.00 0.00 H new ATOM 0 HB3 GLN A 456 -11.662 -8.124 5.176 1.00 0.00 H new ATOM 0 HG2 GLN A 456 -11.155 -5.231 5.990 1.00 0.00 H new ATOM 0 HG3 GLN A 456 -12.437 -6.220 6.661 1.00 0.00 H new ATOM 0 HE21 GLN A 456 -10.899 -5.280 8.577 1.00 0.00 H new ATOM 0 HE22 GLN A 456 -9.711 -6.457 9.148 1.00 0.00 H new ATOM 1185 N ALA A 457 -10.801 -8.247 2.067 1.00 0.00 N ATOM 1186 CA ALA A 457 -10.684 -9.302 1.056 1.00 0.00 C ATOM 1187 C ALA A 457 -9.287 -9.351 0.413 1.00 0.00 C ATOM 1188 O ALA A 457 -8.763 -10.437 0.156 1.00 0.00 O ATOM 1189 CB ALA A 457 -11.780 -9.096 0.001 1.00 0.00 C ATOM 0 H ALA A 457 -11.506 -7.545 1.841 1.00 0.00 H new ATOM 0 HA ALA A 457 -10.818 -10.267 1.544 1.00 0.00 H new ATOM 0 HB1 ALA A 457 -11.705 -9.874 -0.758 1.00 0.00 H new ATOM 0 HB2 ALA A 457 -12.759 -9.148 0.478 1.00 0.00 H new ATOM 0 HB3 ALA A 457 -11.656 -8.119 -0.467 1.00 0.00 H new ATOM 1195 N ALA A 458 -8.646 -8.194 0.211 1.00 0.00 N ATOM 1196 CA ALA A 458 -7.288 -8.109 -0.316 1.00 0.00 C ATOM 1197 C ALA A 458 -6.226 -8.555 0.701 1.00 0.00 C ATOM 1198 O ALA A 458 -5.284 -9.233 0.307 1.00 0.00 O ATOM 1199 CB ALA A 458 -7.050 -6.686 -0.813 1.00 0.00 C ATOM 0 H ALA A 458 -9.063 -7.285 0.412 1.00 0.00 H new ATOM 0 HA ALA A 458 -7.188 -8.806 -1.148 1.00 0.00 H new ATOM 0 HB1 ALA A 458 -6.039 -6.604 -1.211 1.00 0.00 H new ATOM 0 HB2 ALA A 458 -7.769 -6.450 -1.598 1.00 0.00 H new ATOM 0 HB3 ALA A 458 -7.172 -5.987 0.014 1.00 0.00 H new ATOM 1205 N ILE A 459 -6.393 -8.290 2.006 1.00 0.00 N ATOM 1206 CA ILE A 459 -5.513 -8.848 3.060 1.00 0.00 C ATOM 1207 C ILE A 459 -5.558 -10.378 3.012 1.00 0.00 C ATOM 1208 O ILE A 459 -4.517 -11.035 2.985 1.00 0.00 O ATOM 1209 CB ILE A 459 -5.909 -8.331 4.469 1.00 0.00 C ATOM 1210 CG1 ILE A 459 -5.698 -6.808 4.568 1.00 0.00 C ATOM 1211 CG2 ILE A 459 -5.099 -9.050 5.570 1.00 0.00 C ATOM 1212 CD1 ILE A 459 -6.269 -6.182 5.849 1.00 0.00 C ATOM 0 H ILE A 459 -7.134 -7.688 2.365 1.00 0.00 H new ATOM 0 HA ILE A 459 -4.494 -8.512 2.868 1.00 0.00 H new ATOM 0 HB ILE A 459 -6.966 -8.550 4.620 1.00 0.00 H new ATOM 0 HG12 ILE A 459 -4.630 -6.595 4.516 1.00 0.00 H new ATOM 0 HG13 ILE A 459 -6.161 -6.330 3.704 1.00 0.00 H new ATOM 0 HG21 ILE A 459 -5.396 -8.669 6.547 1.00 0.00 H new ATOM 0 HG22 ILE A 459 -5.293 -10.122 5.524 1.00 0.00 H new ATOM 0 HG23 ILE A 459 -4.035 -8.867 5.417 1.00 0.00 H new ATOM 0 HD11 ILE A 459 -6.081 -5.108 5.844 1.00 0.00 H new ATOM 0 HD12 ILE A 459 -7.343 -6.362 5.894 1.00 0.00 H new ATOM 0 HD13 ILE A 459 -5.789 -6.631 6.719 1.00 0.00 H new ATOM 1224 N GLN A 460 -6.769 -10.930 2.950 1.00 0.00 N ATOM 1225 CA GLN A 460 -7.025 -12.369 2.906 1.00 0.00 C ATOM 1226 C GLN A 460 -6.526 -13.035 1.610 1.00 0.00 C ATOM 1227 O GLN A 460 -6.292 -14.244 1.597 1.00 0.00 O ATOM 1228 CB GLN A 460 -8.534 -12.582 3.094 1.00 0.00 C ATOM 1229 CG GLN A 460 -8.974 -12.335 4.548 1.00 0.00 C ATOM 1230 CD GLN A 460 -10.496 -12.301 4.675 1.00 0.00 C ATOM 1231 OE1 GLN A 460 -11.152 -13.282 5.008 1.00 0.00 O ATOM 1232 NE2 GLN A 460 -11.114 -11.169 4.405 1.00 0.00 N ATOM 0 H GLN A 460 -7.623 -10.373 2.928 1.00 0.00 H new ATOM 0 HA GLN A 460 -6.463 -12.849 3.707 1.00 0.00 H new ATOM 0 HB2 GLN A 460 -9.080 -11.911 2.431 1.00 0.00 H new ATOM 0 HB3 GLN A 460 -8.795 -13.600 2.804 1.00 0.00 H new ATOM 0 HG2 GLN A 460 -8.572 -13.120 5.189 1.00 0.00 H new ATOM 0 HG3 GLN A 460 -8.557 -11.391 4.900 1.00 0.00 H new ATOM 0 HE21 GLN A 460 -10.576 -10.348 4.127 1.00 0.00 H new ATOM 0 HE22 GLN A 460 -12.130 -11.114 4.474 1.00 0.00 H new ATOM 1241 N SER A 461 -6.321 -12.271 0.533 1.00 0.00 N ATOM 1242 CA SER A 461 -5.838 -12.773 -0.758 1.00 0.00 C ATOM 1243 C SER A 461 -4.334 -12.542 -1.001 1.00 0.00 C ATOM 1244 O SER A 461 -3.721 -13.305 -1.753 1.00 0.00 O ATOM 1245 CB SER A 461 -6.640 -12.100 -1.875 1.00 0.00 C ATOM 1246 OG SER A 461 -8.031 -12.384 -1.778 1.00 0.00 O ATOM 0 H SER A 461 -6.490 -11.265 0.534 1.00 0.00 H new ATOM 0 HA SER A 461 -5.981 -13.854 -0.750 1.00 0.00 H new ATOM 0 HB2 SER A 461 -6.486 -11.022 -1.833 1.00 0.00 H new ATOM 0 HB3 SER A 461 -6.268 -12.437 -2.842 1.00 0.00 H new ATOM 0 HG SER A 461 -8.441 -11.789 -1.116 1.00 0.00 H new ATOM 1252 N MET A 462 -3.727 -11.522 -0.373 1.00 0.00 N ATOM 1253 CA MET A 462 -2.358 -11.061 -0.670 1.00 0.00 C ATOM 1254 C MET A 462 -1.354 -11.250 0.468 1.00 0.00 C ATOM 1255 O MET A 462 -0.151 -11.262 0.203 1.00 0.00 O ATOM 1256 CB MET A 462 -2.373 -9.588 -1.113 1.00 0.00 C ATOM 1257 CG MET A 462 -3.137 -9.379 -2.427 1.00 0.00 C ATOM 1258 SD MET A 462 -2.502 -10.299 -3.859 1.00 0.00 S ATOM 1259 CE MET A 462 -0.875 -9.526 -4.015 1.00 0.00 C ATOM 0 H MET A 462 -4.179 -10.985 0.367 1.00 0.00 H new ATOM 0 HA MET A 462 -2.011 -11.703 -1.480 1.00 0.00 H new ATOM 0 HB2 MET A 462 -2.829 -8.981 -0.331 1.00 0.00 H new ATOM 0 HB3 MET A 462 -1.348 -9.237 -1.232 1.00 0.00 H new ATOM 0 HG2 MET A 462 -4.178 -9.660 -2.270 1.00 0.00 H new ATOM 0 HG3 MET A 462 -3.127 -8.316 -2.667 1.00 0.00 H new ATOM 0 HE1 MET A 462 -0.396 -9.868 -4.933 1.00 0.00 H new ATOM 0 HE2 MET A 462 -0.989 -8.442 -4.047 1.00 0.00 H new ATOM 0 HE3 MET A 462 -0.258 -9.801 -3.160 1.00 0.00 H new ATOM 1269 N ASN A 463 -1.791 -11.450 1.716 1.00 0.00 N ATOM 1270 CA ASN A 463 -0.874 -11.801 2.800 1.00 0.00 C ATOM 1271 C ASN A 463 -0.344 -13.237 2.595 1.00 0.00 C ATOM 1272 O ASN A 463 -1.097 -14.210 2.691 1.00 0.00 O ATOM 1273 CB ASN A 463 -1.561 -11.601 4.160 1.00 0.00 C ATOM 1274 CG ASN A 463 -0.548 -11.648 5.297 1.00 0.00 C ATOM 1275 OD1 ASN A 463 0.378 -10.845 5.349 1.00 0.00 O ATOM 1276 ND2 ASN A 463 -0.677 -12.580 6.222 1.00 0.00 N ATOM 0 H ASN A 463 -2.769 -11.375 1.997 1.00 0.00 H new ATOM 0 HA ASN A 463 -0.009 -11.138 2.787 1.00 0.00 H new ATOM 0 HB2 ASN A 463 -2.081 -10.643 4.171 1.00 0.00 H new ATOM 0 HB3 ASN A 463 -2.315 -12.374 4.308 1.00 0.00 H new ATOM 0 HD21 ASN A 463 -0.004 -12.636 6.987 1.00 0.00 H new ATOM 0 HD22 ASN A 463 -1.449 -13.244 6.172 1.00 0.00 H new ATOM 1283 N GLY A 464 0.947 -13.358 2.266 1.00 0.00 N ATOM 1284 CA GLY A 464 1.618 -14.599 1.853 1.00 0.00 C ATOM 1285 C GLY A 464 1.789 -14.761 0.335 1.00 0.00 C ATOM 1286 O GLY A 464 2.301 -15.794 -0.094 1.00 0.00 O ATOM 0 H GLY A 464 1.582 -12.560 2.280 1.00 0.00 H new ATOM 0 HA2 GLY A 464 2.601 -14.638 2.322 1.00 0.00 H new ATOM 0 HA3 GLY A 464 1.049 -15.448 2.234 1.00 0.00 H new ATOM 1290 N PHE A 465 1.404 -13.774 -0.487 1.00 0.00 N ATOM 1291 CA PHE A 465 1.606 -13.798 -1.945 1.00 0.00 C ATOM 1292 C PHE A 465 3.103 -13.769 -2.282 1.00 0.00 C ATOM 1293 O PHE A 465 3.810 -12.857 -1.849 1.00 0.00 O ATOM 1294 CB PHE A 465 0.879 -12.600 -2.574 1.00 0.00 C ATOM 1295 CG PHE A 465 0.962 -12.525 -4.089 1.00 0.00 C ATOM 1296 CD1 PHE A 465 2.034 -11.861 -4.722 1.00 0.00 C ATOM 1297 CD2 PHE A 465 -0.054 -13.107 -4.872 1.00 0.00 C ATOM 1298 CE1 PHE A 465 2.085 -11.783 -6.125 1.00 0.00 C ATOM 1299 CE2 PHE A 465 -0.002 -13.026 -6.274 1.00 0.00 C ATOM 1300 CZ PHE A 465 1.068 -12.364 -6.901 1.00 0.00 C ATOM 0 H PHE A 465 0.939 -12.928 -0.156 1.00 0.00 H new ATOM 0 HA PHE A 465 1.193 -14.720 -2.354 1.00 0.00 H new ATOM 0 HB2 PHE A 465 -0.171 -12.637 -2.284 1.00 0.00 H new ATOM 0 HB3 PHE A 465 1.293 -11.682 -2.156 1.00 0.00 H new ATOM 0 HD1 PHE A 465 2.816 -11.412 -4.128 1.00 0.00 H new ATOM 0 HD2 PHE A 465 -0.876 -13.618 -4.393 1.00 0.00 H new ATOM 0 HE1 PHE A 465 2.907 -11.276 -6.607 1.00 0.00 H new ATOM 0 HE2 PHE A 465 -0.784 -13.472 -6.870 1.00 0.00 H new ATOM 0 HZ PHE A 465 1.108 -12.302 -7.978 1.00 0.00 H new ATOM 1310 N GLN A 466 3.603 -14.752 -3.036 1.00 0.00 N ATOM 1311 CA GLN A 466 5.028 -14.854 -3.359 1.00 0.00 C ATOM 1312 C GLN A 466 5.378 -14.025 -4.603 1.00 0.00 C ATOM 1313 O GLN A 466 4.719 -14.126 -5.639 1.00 0.00 O ATOM 1314 CB GLN A 466 5.436 -16.332 -3.495 1.00 0.00 C ATOM 1315 CG GLN A 466 6.970 -16.484 -3.484 1.00 0.00 C ATOM 1316 CD GLN A 466 7.438 -17.932 -3.335 1.00 0.00 C ATOM 1317 OE1 GLN A 466 6.977 -18.682 -2.478 1.00 0.00 O ATOM 1318 NE2 GLN A 466 8.393 -18.373 -4.128 1.00 0.00 N ATOM 0 H GLN A 466 3.034 -15.497 -3.438 1.00 0.00 H new ATOM 0 HA GLN A 466 5.608 -14.430 -2.539 1.00 0.00 H new ATOM 0 HB2 GLN A 466 5.004 -16.909 -2.678 1.00 0.00 H new ATOM 0 HB3 GLN A 466 5.033 -16.741 -4.422 1.00 0.00 H new ATOM 0 HG2 GLN A 466 7.375 -16.073 -4.409 1.00 0.00 H new ATOM 0 HG3 GLN A 466 7.380 -15.892 -2.666 1.00 0.00 H new ATOM 0 HE21 GLN A 466 8.785 -17.761 -4.844 1.00 0.00 H new ATOM 0 HE22 GLN A 466 8.741 -19.326 -4.026 1.00 0.00 H new ATOM 1327 N ILE A 467 6.437 -13.213 -4.507 1.00 0.00 N ATOM 1328 CA ILE A 467 6.875 -12.271 -5.545 1.00 0.00 C ATOM 1329 C ILE A 467 8.407 -12.131 -5.530 1.00 0.00 C ATOM 1330 O ILE A 467 9.019 -11.970 -4.470 1.00 0.00 O ATOM 1331 CB ILE A 467 6.111 -10.933 -5.371 1.00 0.00 C ATOM 1332 CG1 ILE A 467 6.161 -10.113 -6.675 1.00 0.00 C ATOM 1333 CG2 ILE A 467 6.581 -10.119 -4.152 1.00 0.00 C ATOM 1334 CD1 ILE A 467 5.326 -8.827 -6.639 1.00 0.00 C ATOM 0 H ILE A 467 7.032 -13.192 -3.679 1.00 0.00 H new ATOM 0 HA ILE A 467 6.629 -12.646 -6.539 1.00 0.00 H new ATOM 0 HB ILE A 467 5.070 -11.181 -5.162 1.00 0.00 H new ATOM 0 HG12 ILE A 467 7.198 -9.854 -6.889 1.00 0.00 H new ATOM 0 HG13 ILE A 467 5.812 -10.737 -7.498 1.00 0.00 H new ATOM 0 HG21 ILE A 467 6.006 -9.195 -4.088 1.00 0.00 H new ATOM 0 HG22 ILE A 467 6.431 -10.703 -3.244 1.00 0.00 H new ATOM 0 HG23 ILE A 467 7.639 -9.881 -4.259 1.00 0.00 H new ATOM 0 HD11 ILE A 467 5.415 -8.309 -7.594 1.00 0.00 H new ATOM 0 HD12 ILE A 467 4.281 -9.077 -6.458 1.00 0.00 H new ATOM 0 HD13 ILE A 467 5.688 -8.180 -5.840 1.00 0.00 H new ATOM 1346 N GLY A 468 9.044 -12.267 -6.700 1.00 0.00 N ATOM 1347 CA GLY A 468 10.506 -12.252 -6.869 1.00 0.00 C ATOM 1348 C GLY A 468 11.178 -13.515 -6.318 1.00 0.00 C ATOM 1349 O GLY A 468 11.641 -14.363 -7.081 1.00 0.00 O ATOM 0 H GLY A 468 8.545 -12.394 -7.580 1.00 0.00 H new ATOM 0 HA2 GLY A 468 10.744 -12.151 -7.928 1.00 0.00 H new ATOM 0 HA3 GLY A 468 10.917 -11.377 -6.365 1.00 0.00 H new ATOM 1353 N MET A 469 11.212 -13.627 -4.987 1.00 0.00 N ATOM 1354 CA MET A 469 11.832 -14.712 -4.202 1.00 0.00 C ATOM 1355 C MET A 469 11.341 -14.805 -2.740 1.00 0.00 C ATOM 1356 O MET A 469 11.869 -15.607 -1.967 1.00 0.00 O ATOM 1357 CB MET A 469 13.370 -14.586 -4.268 1.00 0.00 C ATOM 1358 CG MET A 469 13.896 -13.291 -3.626 1.00 0.00 C ATOM 1359 SD MET A 469 15.694 -13.070 -3.707 1.00 0.00 S ATOM 1360 CE MET A 469 16.226 -14.347 -2.536 1.00 0.00 C ATOM 0 H MET A 469 10.783 -12.922 -4.387 1.00 0.00 H new ATOM 0 HA MET A 469 11.513 -15.648 -4.661 1.00 0.00 H new ATOM 0 HB2 MET A 469 13.821 -15.442 -3.767 1.00 0.00 H new ATOM 0 HB3 MET A 469 13.688 -14.623 -5.310 1.00 0.00 H new ATOM 0 HG2 MET A 469 13.418 -12.441 -4.114 1.00 0.00 H new ATOM 0 HG3 MET A 469 13.590 -13.271 -2.580 1.00 0.00 H new ATOM 0 HE1 MET A 469 17.300 -14.265 -2.372 1.00 0.00 H new ATOM 0 HE2 MET A 469 15.703 -14.213 -1.589 1.00 0.00 H new ATOM 0 HE3 MET A 469 15.995 -15.332 -2.942 1.00 0.00 H new ATOM 1370 N LYS A 470 10.342 -14.007 -2.340 1.00 0.00 N ATOM 1371 CA LYS A 470 9.826 -13.918 -0.961 1.00 0.00 C ATOM 1372 C LYS A 470 8.326 -13.570 -0.918 1.00 0.00 C ATOM 1373 O LYS A 470 7.718 -13.320 -1.960 1.00 0.00 O ATOM 1374 CB LYS A 470 10.705 -12.962 -0.137 1.00 0.00 C ATOM 1375 CG LYS A 470 10.734 -11.513 -0.647 1.00 0.00 C ATOM 1376 CD LYS A 470 11.552 -10.680 0.344 1.00 0.00 C ATOM 1377 CE LYS A 470 11.681 -9.222 -0.114 1.00 0.00 C ATOM 1378 NZ LYS A 470 12.333 -8.386 0.929 1.00 0.00 N ATOM 0 H LYS A 470 9.853 -13.385 -2.984 1.00 0.00 H new ATOM 0 HA LYS A 470 9.892 -14.902 -0.497 1.00 0.00 H new ATOM 0 HB2 LYS A 470 10.351 -12.963 0.894 1.00 0.00 H new ATOM 0 HB3 LYS A 470 11.724 -13.348 -0.124 1.00 0.00 H new ATOM 0 HG2 LYS A 470 11.178 -11.468 -1.641 1.00 0.00 H new ATOM 0 HG3 LYS A 470 9.722 -11.118 -0.732 1.00 0.00 H new ATOM 0 HD2 LYS A 470 11.079 -10.713 1.325 1.00 0.00 H new ATOM 0 HD3 LYS A 470 12.545 -11.116 0.454 1.00 0.00 H new ATOM 0 HE2 LYS A 470 12.262 -9.178 -1.035 1.00 0.00 H new ATOM 0 HE3 LYS A 470 10.693 -8.821 -0.341 1.00 0.00 H new ATOM 0 HZ1 LYS A 470 12.468 -7.421 0.566 1.00 0.00 H new ATOM 0 HZ2 LYS A 470 11.731 -8.356 1.776 1.00 0.00 H new ATOM 0 HZ3 LYS A 470 13.257 -8.796 1.175 1.00 0.00 H new ATOM 1392 N ARG A 471 7.705 -13.596 0.269 1.00 0.00 N ATOM 1393 CA ARG A 471 6.243 -13.500 0.435 1.00 0.00 C ATOM 1394 C ARG A 471 5.812 -12.180 1.084 1.00 0.00 C ATOM 1395 O ARG A 471 6.407 -11.738 2.068 1.00 0.00 O ATOM 1396 CB ARG A 471 5.713 -14.725 1.200 1.00 0.00 C ATOM 1397 CG ARG A 471 5.932 -15.999 0.369 1.00 0.00 C ATOM 1398 CD ARG A 471 5.259 -17.248 0.946 1.00 0.00 C ATOM 1399 NE ARG A 471 5.544 -18.402 0.077 1.00 0.00 N ATOM 1400 CZ ARG A 471 5.064 -19.632 0.175 1.00 0.00 C ATOM 1401 NH1 ARG A 471 4.258 -20.004 1.148 1.00 0.00 N ATOM 1402 NH2 ARG A 471 5.411 -20.506 -0.742 1.00 0.00 N ATOM 0 H ARG A 471 8.207 -13.685 1.153 1.00 0.00 H new ATOM 0 HA ARG A 471 5.793 -13.500 -0.558 1.00 0.00 H new ATOM 0 HB2 ARG A 471 6.224 -14.814 2.159 1.00 0.00 H new ATOM 0 HB3 ARG A 471 4.652 -14.599 1.415 1.00 0.00 H new ATOM 0 HG2 ARG A 471 5.556 -15.830 -0.640 1.00 0.00 H new ATOM 0 HG3 ARG A 471 7.003 -16.184 0.283 1.00 0.00 H new ATOM 0 HD2 ARG A 471 5.625 -17.439 1.955 1.00 0.00 H new ATOM 0 HD3 ARG A 471 4.183 -17.093 1.022 1.00 0.00 H new ATOM 0 HE ARG A 471 6.190 -18.233 -0.694 1.00 0.00 H new ATOM 0 HH11 ARG A 471 3.980 -19.333 1.865 1.00 0.00 H new ATOM 0 HH12 ARG A 471 3.912 -20.963 1.185 1.00 0.00 H new ATOM 0 HH21 ARG A 471 6.033 -20.229 -1.501 1.00 0.00 H new ATOM 0 HH22 ARG A 471 5.058 -21.462 -0.695 1.00 0.00 H new ATOM 1416 N LEU A 472 4.779 -11.552 0.513 1.00 0.00 N ATOM 1417 CA LEU A 472 4.260 -10.249 0.927 1.00 0.00 C ATOM 1418 C LEU A 472 3.568 -10.306 2.288 1.00 0.00 C ATOM 1419 O LEU A 472 2.685 -11.127 2.529 1.00 0.00 O ATOM 1420 CB LEU A 472 3.296 -9.687 -0.141 1.00 0.00 C ATOM 1421 CG LEU A 472 3.952 -9.293 -1.479 1.00 0.00 C ATOM 1422 CD1 LEU A 472 2.887 -8.740 -2.437 1.00 0.00 C ATOM 1423 CD2 LEU A 472 5.052 -8.240 -1.283 1.00 0.00 C ATOM 0 H LEU A 472 4.267 -11.951 -0.274 1.00 0.00 H new ATOM 0 HA LEU A 472 5.115 -9.581 1.026 1.00 0.00 H new ATOM 0 HB2 LEU A 472 2.525 -10.432 -0.339 1.00 0.00 H new ATOM 0 HB3 LEU A 472 2.795 -8.811 0.271 1.00 0.00 H new ATOM 0 HG LEU A 472 4.408 -10.189 -1.900 1.00 0.00 H new ATOM 0 HD11 LEU A 472 3.356 -8.463 -3.381 1.00 0.00 H new ATOM 0 HD12 LEU A 472 2.129 -9.502 -2.618 1.00 0.00 H new ATOM 0 HD13 LEU A 472 2.419 -7.862 -1.993 1.00 0.00 H new ATOM 0 HD21 LEU A 472 5.491 -7.988 -2.249 1.00 0.00 H new ATOM 0 HD22 LEU A 472 4.622 -7.344 -0.835 1.00 0.00 H new ATOM 0 HD23 LEU A 472 5.825 -8.639 -0.626 1.00 0.00 H new ATOM 1435 N LYS A 473 3.949 -9.380 3.162 1.00 0.00 N ATOM 1436 CA LYS A 473 3.275 -9.093 4.425 1.00 0.00 C ATOM 1437 C LYS A 473 2.232 -7.993 4.152 1.00 0.00 C ATOM 1438 O LYS A 473 2.590 -6.933 3.637 1.00 0.00 O ATOM 1439 CB LYS A 473 4.360 -8.670 5.430 1.00 0.00 C ATOM 1440 CG LYS A 473 3.813 -8.388 6.838 1.00 0.00 C ATOM 1441 CD LYS A 473 4.850 -7.721 7.756 1.00 0.00 C ATOM 1442 CE LYS A 473 6.126 -8.560 7.918 1.00 0.00 C ATOM 1443 NZ LYS A 473 7.075 -7.930 8.872 1.00 0.00 N ATOM 0 H LYS A 473 4.764 -8.787 3.005 1.00 0.00 H new ATOM 0 HA LYS A 473 2.746 -9.949 4.845 1.00 0.00 H new ATOM 0 HB2 LYS A 473 5.113 -9.455 5.492 1.00 0.00 H new ATOM 0 HB3 LYS A 473 4.861 -7.776 5.057 1.00 0.00 H new ATOM 0 HG2 LYS A 473 2.936 -7.745 6.760 1.00 0.00 H new ATOM 0 HG3 LYS A 473 3.483 -9.324 7.289 1.00 0.00 H new ATOM 0 HD2 LYS A 473 5.112 -6.743 7.351 1.00 0.00 H new ATOM 0 HD3 LYS A 473 4.405 -7.551 8.736 1.00 0.00 H new ATOM 0 HE2 LYS A 473 5.864 -9.558 8.269 1.00 0.00 H new ATOM 0 HE3 LYS A 473 6.609 -8.680 6.948 1.00 0.00 H new ATOM 0 HZ1 LYS A 473 7.925 -8.522 8.958 1.00 0.00 H new ATOM 0 HZ2 LYS A 473 7.343 -6.988 8.523 1.00 0.00 H new ATOM 0 HZ3 LYS A 473 6.621 -7.838 9.803 1.00 0.00 H new ATOM 1457 N VAL A 474 0.953 -8.233 4.447 1.00 0.00 N ATOM 1458 CA VAL A 474 -0.157 -7.320 4.107 1.00 0.00 C ATOM 1459 C VAL A 474 -1.146 -7.236 5.267 1.00 0.00 C ATOM 1460 O VAL A 474 -1.492 -8.252 5.869 1.00 0.00 O ATOM 1461 CB VAL A 474 -0.888 -7.714 2.797 1.00 0.00 C ATOM 1462 CG1 VAL A 474 -1.877 -6.608 2.381 1.00 0.00 C ATOM 1463 CG2 VAL A 474 0.085 -7.953 1.631 1.00 0.00 C ATOM 0 H VAL A 474 0.648 -9.075 4.935 1.00 0.00 H new ATOM 0 HA VAL A 474 0.284 -6.339 3.932 1.00 0.00 H new ATOM 0 HB VAL A 474 -1.415 -8.645 3.007 1.00 0.00 H new ATOM 0 HG11 VAL A 474 -2.382 -6.899 1.460 1.00 0.00 H new ATOM 0 HG12 VAL A 474 -2.615 -6.464 3.170 1.00 0.00 H new ATOM 0 HG13 VAL A 474 -1.334 -5.677 2.218 1.00 0.00 H new ATOM 0 HG21 VAL A 474 -0.477 -8.226 0.738 1.00 0.00 H new ATOM 0 HG22 VAL A 474 0.653 -7.043 1.438 1.00 0.00 H new ATOM 0 HG23 VAL A 474 0.771 -8.760 1.889 1.00 0.00 H new ATOM 1473 N GLN A 475 -1.582 -6.016 5.582 1.00 0.00 N ATOM 1474 CA GLN A 475 -2.407 -5.690 6.748 1.00 0.00 C ATOM 1475 C GLN A 475 -3.053 -4.304 6.593 1.00 0.00 C ATOM 1476 O GLN A 475 -2.744 -3.566 5.656 1.00 0.00 O ATOM 1477 CB GLN A 475 -1.536 -5.742 8.023 1.00 0.00 C ATOM 1478 CG GLN A 475 -0.325 -4.790 7.973 1.00 0.00 C ATOM 1479 CD GLN A 475 0.253 -4.534 9.363 1.00 0.00 C ATOM 1480 OE1 GLN A 475 1.106 -5.261 9.859 1.00 0.00 O ATOM 1481 NE2 GLN A 475 -0.201 -3.502 10.046 1.00 0.00 N ATOM 0 H GLN A 475 -1.363 -5.198 5.013 1.00 0.00 H new ATOM 0 HA GLN A 475 -3.209 -6.423 6.829 1.00 0.00 H new ATOM 0 HB2 GLN A 475 -2.152 -5.490 8.886 1.00 0.00 H new ATOM 0 HB3 GLN A 475 -1.182 -6.762 8.171 1.00 0.00 H new ATOM 0 HG2 GLN A 475 0.446 -5.216 7.332 1.00 0.00 H new ATOM 0 HG3 GLN A 475 -0.625 -3.843 7.524 1.00 0.00 H new ATOM 0 HE21 GLN A 475 -0.911 -2.893 9.639 1.00 0.00 H new ATOM 0 HE22 GLN A 475 0.158 -3.312 10.982 1.00 0.00 H new ATOM 1490 N LEU A 476 -3.914 -3.923 7.544 1.00 0.00 N ATOM 1491 CA LEU A 476 -4.409 -2.548 7.665 1.00 0.00 C ATOM 1492 C LEU A 476 -3.248 -1.605 8.030 1.00 0.00 C ATOM 1493 O LEU A 476 -2.321 -1.974 8.760 1.00 0.00 O ATOM 1494 CB LEU A 476 -5.536 -2.478 8.717 1.00 0.00 C ATOM 1495 CG LEU A 476 -6.812 -3.287 8.395 1.00 0.00 C ATOM 1496 CD1 LEU A 476 -7.776 -3.208 9.588 1.00 0.00 C ATOM 1497 CD2 LEU A 476 -7.533 -2.780 7.137 1.00 0.00 C ATOM 0 H LEU A 476 -4.286 -4.558 8.250 1.00 0.00 H new ATOM 0 HA LEU A 476 -4.822 -2.228 6.709 1.00 0.00 H new ATOM 0 HB2 LEU A 476 -5.139 -2.827 9.670 1.00 0.00 H new ATOM 0 HB3 LEU A 476 -5.816 -1.433 8.852 1.00 0.00 H new ATOM 0 HG LEU A 476 -6.504 -4.315 8.206 1.00 0.00 H new ATOM 0 HD11 LEU A 476 -8.678 -3.778 9.365 1.00 0.00 H new ATOM 0 HD12 LEU A 476 -7.294 -3.623 10.473 1.00 0.00 H new ATOM 0 HD13 LEU A 476 -8.041 -2.167 9.774 1.00 0.00 H new ATOM 0 HD21 LEU A 476 -8.422 -3.385 6.959 1.00 0.00 H new ATOM 0 HD22 LEU A 476 -7.825 -1.739 7.279 1.00 0.00 H new ATOM 0 HD23 LEU A 476 -6.865 -2.856 6.279 1.00 0.00 H new ATOM 1509 N LYS A 477 -3.294 -0.377 7.518 1.00 0.00 N ATOM 1510 CA LYS A 477 -2.257 0.645 7.717 1.00 0.00 C ATOM 1511 C LYS A 477 -2.105 1.084 9.196 1.00 0.00 C ATOM 1512 O LYS A 477 -3.068 1.048 9.969 1.00 0.00 O ATOM 1513 CB LYS A 477 -2.595 1.823 6.787 1.00 0.00 C ATOM 1514 CG LYS A 477 -1.410 2.780 6.591 1.00 0.00 C ATOM 1515 CD LYS A 477 -1.759 3.953 5.677 1.00 0.00 C ATOM 1516 CE LYS A 477 -2.739 4.925 6.347 1.00 0.00 C ATOM 1517 NZ LYS A 477 -3.047 6.045 5.433 1.00 0.00 N ATOM 0 H LYS A 477 -4.069 -0.053 6.939 1.00 0.00 H new ATOM 0 HA LYS A 477 -1.282 0.228 7.465 1.00 0.00 H new ATOM 0 HB2 LYS A 477 -2.910 1.437 5.817 1.00 0.00 H new ATOM 0 HB3 LYS A 477 -3.439 2.376 7.199 1.00 0.00 H new ATOM 0 HG2 LYS A 477 -1.089 3.161 7.561 1.00 0.00 H new ATOM 0 HG3 LYS A 477 -0.568 2.231 6.169 1.00 0.00 H new ATOM 0 HD2 LYS A 477 -0.848 4.486 5.405 1.00 0.00 H new ATOM 0 HD3 LYS A 477 -2.196 3.576 4.752 1.00 0.00 H new ATOM 0 HE2 LYS A 477 -3.657 4.401 6.615 1.00 0.00 H new ATOM 0 HE3 LYS A 477 -2.308 5.308 7.272 1.00 0.00 H new ATOM 0 HZ1 LYS A 477 -3.304 6.886 5.989 1.00 0.00 H new ATOM 0 HZ2 LYS A 477 -2.212 6.257 4.850 1.00 0.00 H new ATOM 0 HZ3 LYS A 477 -3.842 5.781 4.816 1.00 0.00 H new