USER MOD reduce.3.24.130724 H: found=0, std=0, add=580, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 582 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 473 LYS NZ :NH3+ 138:sc= 1.54 (180deg=0.0101) USER MOD Set 1.2: A 475 GLN : amide:sc= 1.03 K(o=2.6,f=-4.7) USER MOD Set 2.1: A 402 ASN : amide:sc= 1.47 K(o=3,f=-3.1!) USER MOD Set 2.2: A 448 SER OG : rot 80:sc= 1.52 USER MOD Single : A 393 SER OG : rot 180:sc= 0 USER MOD Single : A 394 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 395 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 406 TYR OH : rot 180:sc= 0 USER MOD Single : A 407 HIS : no HD1:sc= -0.0054 X(o=-0.0054,f=0) USER MOD Single : A 410 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 415 GLN : amide:sc= 0 X(o=0,f=-0.35) USER MOD Single : A 419 GLN : amide:sc= 0 X(o=0,f=-0.47) USER MOD Single : A 420 MET CE :methyl 164:sc= 0 (180deg=-0.605) USER MOD Single : A 422 MET CE :methyl -169:sc= -0.0796 (180deg=-0.165) USER MOD Single : A 426 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 429 SER OG : rot 33:sc= 0.527 USER MOD Single : A 431 LYS NZ :NH3+ -176:sc= 1.16 (180deg=1.15) USER MOD Single : A 442 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 443 CYS SG : rot 180:sc= 0 USER MOD Single : A 449 TYR OH : rot -155:sc= 1.07 USER MOD Single : A 451 ASN : amide:sc= -0.179 X(o=-0.18,f=-0.18) USER MOD Single : A 454 SER OG : rot -91:sc= 0.0332 USER MOD Single : A 456 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 460 GLN : amide:sc= -0.0202 X(o=-0.02,f=-0.22) USER MOD Single : A 461 SER OG : rot 85:sc= 1.06 USER MOD Single : A 462 MET CE :methyl -158:sc= -0.0033 (180deg=-0.506) USER MOD Single : A 463 ASN : amide:sc= 0.773 K(o=0.77,f=-6.5!) USER MOD Single : A 466 GLN : amide:sc= 0.696 K(o=0.7,f=-4.3!) USER MOD Single : A 477 LYS NZ :NH3+ 166:sc= 0.939 (180deg=0.906) USER MOD ----------------------------------------------------------------- ATOM 182 N ALA A 391 -10.204 2.064 -2.145 1.00 0.00 N ATOM 183 CA ALA A 391 -10.004 0.725 -1.580 1.00 0.00 C ATOM 184 C ALA A 391 -10.476 -0.354 -2.566 1.00 0.00 C ATOM 185 O ALA A 391 -11.638 -0.368 -2.980 1.00 0.00 O ATOM 186 CB ALA A 391 -10.773 0.646 -0.256 1.00 0.00 C ATOM 0 HA ALA A 391 -8.944 0.547 -1.397 1.00 0.00 H new ATOM 0 HB1 ALA A 391 -10.639 -0.342 0.184 1.00 0.00 H new ATOM 0 HB2 ALA A 391 -10.394 1.403 0.431 1.00 0.00 H new ATOM 0 HB3 ALA A 391 -11.833 0.821 -0.440 1.00 0.00 H new ATOM 192 N GLY A 392 -9.560 -1.246 -2.950 1.00 0.00 N ATOM 193 CA GLY A 392 -9.784 -2.289 -3.958 1.00 0.00 C ATOM 194 C GLY A 392 -9.468 -1.825 -5.383 1.00 0.00 C ATOM 195 O GLY A 392 -9.414 -2.647 -6.295 1.00 0.00 O ATOM 0 H GLY A 392 -8.618 -1.265 -2.560 1.00 0.00 H new ATOM 0 HA2 GLY A 392 -9.167 -3.155 -3.719 1.00 0.00 H new ATOM 0 HA3 GLY A 392 -10.823 -2.615 -3.910 1.00 0.00 H new ATOM 199 N SER A 393 -9.224 -0.529 -5.577 1.00 0.00 N ATOM 200 CA SER A 393 -8.751 0.045 -6.839 1.00 0.00 C ATOM 201 C SER A 393 -7.226 -0.128 -6.976 1.00 0.00 C ATOM 202 O SER A 393 -6.499 -0.185 -5.980 1.00 0.00 O ATOM 203 CB SER A 393 -9.168 1.521 -6.935 1.00 0.00 C ATOM 204 OG SER A 393 -10.585 1.627 -6.996 1.00 0.00 O ATOM 0 H SER A 393 -9.353 0.169 -4.844 1.00 0.00 H new ATOM 0 HA SER A 393 -9.213 -0.489 -7.669 1.00 0.00 H new ATOM 0 HB2 SER A 393 -8.792 2.070 -6.072 1.00 0.00 H new ATOM 0 HB3 SER A 393 -8.723 1.975 -7.820 1.00 0.00 H new ATOM 0 HG SER A 393 -10.840 2.571 -7.055 1.00 0.00 H new ATOM 210 N GLN A 394 -6.738 -0.254 -8.214 1.00 0.00 N ATOM 211 CA GLN A 394 -5.351 -0.629 -8.521 1.00 0.00 C ATOM 212 C GLN A 394 -4.730 0.295 -9.587 1.00 0.00 C ATOM 213 O GLN A 394 -3.856 -0.111 -10.358 1.00 0.00 O ATOM 214 CB GLN A 394 -5.283 -2.127 -8.893 1.00 0.00 C ATOM 215 CG GLN A 394 -5.697 -3.053 -7.735 1.00 0.00 C ATOM 216 CD GLN A 394 -5.494 -4.527 -8.086 1.00 0.00 C ATOM 217 OE1 GLN A 394 -6.336 -5.174 -8.699 1.00 0.00 O ATOM 218 NE2 GLN A 394 -4.374 -5.122 -7.721 1.00 0.00 N ATOM 0 H GLN A 394 -7.305 -0.096 -9.047 1.00 0.00 H new ATOM 0 HA GLN A 394 -4.739 -0.488 -7.630 1.00 0.00 H new ATOM 0 HB2 GLN A 394 -5.931 -2.313 -9.749 1.00 0.00 H new ATOM 0 HB3 GLN A 394 -4.267 -2.373 -9.203 1.00 0.00 H new ATOM 0 HG2 GLN A 394 -5.114 -2.807 -6.847 1.00 0.00 H new ATOM 0 HG3 GLN A 394 -6.744 -2.879 -7.487 1.00 0.00 H new ATOM 0 HE21 GLN A 394 -3.662 -4.600 -7.210 1.00 0.00 H new ATOM 0 HE22 GLN A 394 -4.220 -6.104 -7.950 1.00 0.00 H new ATOM 227 N LYS A 395 -5.179 1.554 -9.641 1.00 0.00 N ATOM 228 CA LYS A 395 -4.522 2.613 -10.419 1.00 0.00 C ATOM 229 C LYS A 395 -3.192 3.035 -9.761 1.00 0.00 C ATOM 230 O LYS A 395 -2.873 2.625 -8.641 1.00 0.00 O ATOM 231 CB LYS A 395 -5.433 3.851 -10.489 1.00 0.00 C ATOM 232 CG LYS A 395 -6.761 3.676 -11.234 1.00 0.00 C ATOM 233 CD LYS A 395 -7.631 4.938 -11.096 1.00 0.00 C ATOM 234 CE LYS A 395 -6.864 6.229 -11.438 1.00 0.00 C ATOM 235 NZ LYS A 395 -7.747 7.425 -11.394 1.00 0.00 N ATOM 0 H LYS A 395 -6.012 1.869 -9.144 1.00 0.00 H new ATOM 0 HA LYS A 395 -4.328 2.221 -11.417 1.00 0.00 H new ATOM 0 HB2 LYS A 395 -5.652 4.173 -9.471 1.00 0.00 H new ATOM 0 HB3 LYS A 395 -4.877 4.658 -10.966 1.00 0.00 H new ATOM 0 HG2 LYS A 395 -6.569 3.474 -12.288 1.00 0.00 H new ATOM 0 HG3 LYS A 395 -7.296 2.814 -10.836 1.00 0.00 H new ATOM 0 HD2 LYS A 395 -8.497 4.851 -11.752 1.00 0.00 H new ATOM 0 HD3 LYS A 395 -8.009 5.004 -10.076 1.00 0.00 H new ATOM 0 HE2 LYS A 395 -6.041 6.359 -10.736 1.00 0.00 H new ATOM 0 HE3 LYS A 395 -6.424 6.138 -12.431 1.00 0.00 H new ATOM 0 HZ1 LYS A 395 -7.194 8.274 -11.630 1.00 0.00 H new ATOM 0 HZ2 LYS A 395 -8.519 7.312 -12.082 1.00 0.00 H new ATOM 0 HZ3 LYS A 395 -8.147 7.527 -10.439 1.00 0.00 H new ATOM 249 N GLU A 396 -2.458 3.940 -10.414 1.00 0.00 N ATOM 250 CA GLU A 396 -1.315 4.614 -9.809 1.00 0.00 C ATOM 251 C GLU A 396 -1.052 6.012 -10.390 1.00 0.00 C ATOM 252 O GLU A 396 -1.490 6.352 -11.493 1.00 0.00 O ATOM 253 CB GLU A 396 -0.067 3.712 -9.844 1.00 0.00 C ATOM 254 CG GLU A 396 0.457 3.433 -11.257 1.00 0.00 C ATOM 255 CD GLU A 396 1.709 2.548 -11.218 1.00 0.00 C ATOM 256 OE1 GLU A 396 1.614 1.368 -10.809 1.00 0.00 O ATOM 257 OE2 GLU A 396 2.802 3.012 -11.619 1.00 0.00 O ATOM 0 H GLU A 396 -2.642 4.223 -11.376 1.00 0.00 H new ATOM 0 HA GLU A 396 -1.568 4.791 -8.764 1.00 0.00 H new ATOM 0 HB2 GLU A 396 0.725 4.181 -9.259 1.00 0.00 H new ATOM 0 HB3 GLU A 396 -0.302 2.764 -9.360 1.00 0.00 H new ATOM 0 HG2 GLU A 396 -0.319 2.944 -11.846 1.00 0.00 H new ATOM 0 HG3 GLU A 396 0.689 4.375 -11.754 1.00 0.00 H new ATOM 264 N GLY A 397 -0.362 6.822 -9.587 1.00 0.00 N ATOM 265 CA GLY A 397 -0.111 8.249 -9.758 1.00 0.00 C ATOM 266 C GLY A 397 1.290 8.571 -10.306 1.00 0.00 C ATOM 267 O GLY A 397 1.949 7.686 -10.869 1.00 0.00 O ATOM 0 H GLY A 397 0.069 6.467 -8.733 1.00 0.00 H new ATOM 0 HA2 GLY A 397 -0.859 8.662 -10.435 1.00 0.00 H new ATOM 0 HA3 GLY A 397 -0.239 8.749 -8.798 1.00 0.00 H new ATOM 271 N PRO A 398 1.743 9.836 -10.177 1.00 0.00 N ATOM 272 CA PRO A 398 2.993 10.322 -10.763 1.00 0.00 C ATOM 273 C PRO A 398 4.238 9.774 -10.047 1.00 0.00 C ATOM 274 O PRO A 398 4.148 9.118 -9.008 1.00 0.00 O ATOM 275 CB PRO A 398 2.897 11.852 -10.688 1.00 0.00 C ATOM 276 CG PRO A 398 2.024 12.095 -9.460 1.00 0.00 C ATOM 277 CD PRO A 398 1.042 10.927 -9.507 1.00 0.00 C ATOM 0 HA PRO A 398 3.113 9.976 -11.790 1.00 0.00 H new ATOM 0 HB2 PRO A 398 3.880 12.311 -10.579 1.00 0.00 H new ATOM 0 HB3 PRO A 398 2.448 12.271 -11.589 1.00 0.00 H new ATOM 0 HG2 PRO A 398 2.610 12.094 -8.541 1.00 0.00 H new ATOM 0 HG3 PRO A 398 1.512 13.056 -9.511 1.00 0.00 H new ATOM 0 HD2 PRO A 398 0.736 10.635 -8.503 1.00 0.00 H new ATOM 0 HD3 PRO A 398 0.137 11.200 -10.050 1.00 0.00 H new ATOM 285 N GLU A 399 5.419 10.056 -10.608 1.00 0.00 N ATOM 286 CA GLU A 399 6.713 9.656 -10.044 1.00 0.00 C ATOM 287 C GLU A 399 6.889 10.205 -8.614 1.00 0.00 C ATOM 288 O GLU A 399 6.771 11.409 -8.376 1.00 0.00 O ATOM 289 CB GLU A 399 7.845 10.125 -10.975 1.00 0.00 C ATOM 290 CG GLU A 399 9.219 9.594 -10.550 1.00 0.00 C ATOM 291 CD GLU A 399 10.309 10.052 -11.530 1.00 0.00 C ATOM 292 OE1 GLU A 399 10.550 9.350 -12.541 1.00 0.00 O ATOM 293 OE2 GLU A 399 10.935 11.112 -11.295 1.00 0.00 O ATOM 0 H GLU A 399 5.504 10.577 -11.481 1.00 0.00 H new ATOM 0 HA GLU A 399 6.751 8.569 -9.972 1.00 0.00 H new ATOM 0 HB2 GLU A 399 7.632 9.797 -11.993 1.00 0.00 H new ATOM 0 HB3 GLU A 399 7.870 11.215 -10.990 1.00 0.00 H new ATOM 0 HG2 GLU A 399 9.455 9.947 -9.546 1.00 0.00 H new ATOM 0 HG3 GLU A 399 9.196 8.505 -10.508 1.00 0.00 H new ATOM 300 N GLY A 400 7.152 9.303 -7.659 1.00 0.00 N ATOM 301 CA GLY A 400 7.274 9.610 -6.225 1.00 0.00 C ATOM 302 C GLY A 400 5.989 9.391 -5.416 1.00 0.00 C ATOM 303 O GLY A 400 6.041 9.437 -4.189 1.00 0.00 O ATOM 0 H GLY A 400 7.290 8.314 -7.866 1.00 0.00 H new ATOM 0 HA2 GLY A 400 8.065 8.992 -5.800 1.00 0.00 H new ATOM 0 HA3 GLY A 400 7.586 10.649 -6.114 1.00 0.00 H new ATOM 307 N ALA A 401 4.844 9.161 -6.072 1.00 0.00 N ATOM 308 CA ALA A 401 3.529 9.052 -5.425 1.00 0.00 C ATOM 309 C ALA A 401 3.069 7.609 -5.136 1.00 0.00 C ATOM 310 O ALA A 401 1.985 7.412 -4.586 1.00 0.00 O ATOM 311 CB ALA A 401 2.508 9.809 -6.281 1.00 0.00 C ATOM 0 H ALA A 401 4.804 9.043 -7.084 1.00 0.00 H new ATOM 0 HA ALA A 401 3.614 9.501 -4.435 1.00 0.00 H new ATOM 0 HB1 ALA A 401 1.523 9.741 -5.818 1.00 0.00 H new ATOM 0 HB2 ALA A 401 2.802 10.856 -6.357 1.00 0.00 H new ATOM 0 HB3 ALA A 401 2.472 9.369 -7.278 1.00 0.00 H new ATOM 317 N ASN A 402 3.876 6.609 -5.503 1.00 0.00 N ATOM 318 CA ASN A 402 3.503 5.189 -5.508 1.00 0.00 C ATOM 319 C ASN A 402 4.273 4.415 -4.426 1.00 0.00 C ATOM 320 O ASN A 402 5.506 4.362 -4.457 1.00 0.00 O ATOM 321 CB ASN A 402 3.751 4.634 -6.922 1.00 0.00 C ATOM 322 CG ASN A 402 3.028 5.459 -7.987 1.00 0.00 C ATOM 323 OD1 ASN A 402 1.911 5.913 -7.785 1.00 0.00 O ATOM 324 ND2 ASN A 402 3.639 5.715 -9.127 1.00 0.00 N ATOM 0 H ASN A 402 4.834 6.768 -5.814 1.00 0.00 H new ATOM 0 HA ASN A 402 2.447 5.070 -5.264 1.00 0.00 H new ATOM 0 HB2 ASN A 402 4.821 4.630 -7.129 1.00 0.00 H new ATOM 0 HB3 ASN A 402 3.413 3.599 -6.971 1.00 0.00 H new ATOM 0 HD21 ASN A 402 3.180 6.289 -9.834 1.00 0.00 H new ATOM 0 HD22 ASN A 402 4.571 5.339 -9.302 1.00 0.00 H new ATOM 331 N LEU A 403 3.546 3.835 -3.463 1.00 0.00 N ATOM 332 CA LEU A 403 4.072 3.240 -2.230 1.00 0.00 C ATOM 333 C LEU A 403 3.697 1.760 -2.101 1.00 0.00 C ATOM 334 O LEU A 403 2.529 1.393 -2.263 1.00 0.00 O ATOM 335 CB LEU A 403 3.492 3.960 -0.991 1.00 0.00 C ATOM 336 CG LEU A 403 3.496 5.498 -0.964 1.00 0.00 C ATOM 337 CD1 LEU A 403 3.014 5.961 0.416 1.00 0.00 C ATOM 338 CD2 LEU A 403 4.884 6.071 -1.254 1.00 0.00 C ATOM 0 H LEU A 403 2.530 3.765 -3.526 1.00 0.00 H new ATOM 0 HA LEU A 403 5.156 3.345 -2.280 1.00 0.00 H new ATOM 0 HB2 LEU A 403 2.461 3.630 -0.869 1.00 0.00 H new ATOM 0 HB3 LEU A 403 4.044 3.612 -0.118 1.00 0.00 H new ATOM 0 HG LEU A 403 2.830 5.863 -1.746 1.00 0.00 H new ATOM 0 HD11 LEU A 403 3.010 7.050 0.454 1.00 0.00 H new ATOM 0 HD12 LEU A 403 2.005 5.588 0.593 1.00 0.00 H new ATOM 0 HD13 LEU A 403 3.684 5.574 1.184 1.00 0.00 H new ATOM 0 HD21 LEU A 403 4.841 7.160 -1.225 1.00 0.00 H new ATOM 0 HD22 LEU A 403 5.589 5.715 -0.502 1.00 0.00 H new ATOM 0 HD23 LEU A 403 5.212 5.747 -2.242 1.00 0.00 H new ATOM 350 N PHE A 404 4.670 0.938 -1.713 1.00 0.00 N ATOM 351 CA PHE A 404 4.476 -0.448 -1.289 1.00 0.00 C ATOM 352 C PHE A 404 4.643 -0.525 0.232 1.00 0.00 C ATOM 353 O PHE A 404 5.568 0.057 0.805 1.00 0.00 O ATOM 354 CB PHE A 404 5.438 -1.377 -2.037 1.00 0.00 C ATOM 355 CG PHE A 404 4.996 -1.659 -3.459 1.00 0.00 C ATOM 356 CD1 PHE A 404 5.333 -0.771 -4.499 1.00 0.00 C ATOM 357 CD2 PHE A 404 4.201 -2.790 -3.732 1.00 0.00 C ATOM 358 CE1 PHE A 404 4.875 -1.018 -5.805 1.00 0.00 C ATOM 359 CE2 PHE A 404 3.754 -3.039 -5.041 1.00 0.00 C ATOM 360 CZ PHE A 404 4.090 -2.152 -6.080 1.00 0.00 C ATOM 0 H PHE A 404 5.648 1.228 -1.684 1.00 0.00 H new ATOM 0 HA PHE A 404 3.470 -0.785 -1.537 1.00 0.00 H new ATOM 0 HB2 PHE A 404 6.431 -0.928 -2.052 1.00 0.00 H new ATOM 0 HB3 PHE A 404 5.522 -2.318 -1.494 1.00 0.00 H new ATOM 0 HD1 PHE A 404 5.942 0.097 -4.294 1.00 0.00 H new ATOM 0 HD2 PHE A 404 3.935 -3.467 -2.934 1.00 0.00 H new ATOM 0 HE1 PHE A 404 5.127 -0.333 -6.601 1.00 0.00 H new ATOM 0 HE2 PHE A 404 3.152 -3.911 -5.249 1.00 0.00 H new ATOM 0 HZ PHE A 404 3.746 -2.341 -7.086 1.00 0.00 H new ATOM 370 N ILE A 405 3.706 -1.213 0.883 1.00 0.00 N ATOM 371 CA ILE A 405 3.512 -1.247 2.338 1.00 0.00 C ATOM 372 C ILE A 405 3.711 -2.685 2.829 1.00 0.00 C ATOM 373 O ILE A 405 3.228 -3.618 2.192 1.00 0.00 O ATOM 374 CB ILE A 405 2.079 -0.766 2.694 1.00 0.00 C ATOM 375 CG1 ILE A 405 1.534 0.441 1.889 1.00 0.00 C ATOM 376 CG2 ILE A 405 1.974 -0.494 4.204 1.00 0.00 C ATOM 377 CD1 ILE A 405 2.389 1.707 1.864 1.00 0.00 C ATOM 0 H ILE A 405 3.027 -1.791 0.389 1.00 0.00 H new ATOM 0 HA ILE A 405 4.233 -0.586 2.820 1.00 0.00 H new ATOM 0 HB ILE A 405 1.435 -1.593 2.395 1.00 0.00 H new ATOM 0 HG12 ILE A 405 1.379 0.118 0.860 1.00 0.00 H new ATOM 0 HG13 ILE A 405 0.556 0.702 2.292 1.00 0.00 H new ATOM 0 HG21 ILE A 405 0.965 -0.157 4.444 1.00 0.00 H new ATOM 0 HG22 ILE A 405 2.191 -1.409 4.755 1.00 0.00 H new ATOM 0 HG23 ILE A 405 2.691 0.278 4.485 1.00 0.00 H new ATOM 0 HD11 ILE A 405 1.891 2.471 1.267 1.00 0.00 H new ATOM 0 HD12 ILE A 405 2.526 2.074 2.881 1.00 0.00 H new ATOM 0 HD13 ILE A 405 3.361 1.481 1.426 1.00 0.00 H new ATOM 389 N TYR A 406 4.390 -2.878 3.957 1.00 0.00 N ATOM 390 CA TYR A 406 4.803 -4.193 4.469 1.00 0.00 C ATOM 391 C TYR A 406 4.659 -4.317 6.001 1.00 0.00 C ATOM 392 O TYR A 406 4.551 -3.323 6.724 1.00 0.00 O ATOM 393 CB TYR A 406 6.256 -4.477 4.049 1.00 0.00 C ATOM 394 CG TYR A 406 6.594 -4.317 2.578 1.00 0.00 C ATOM 395 CD1 TYR A 406 6.972 -3.054 2.077 1.00 0.00 C ATOM 396 CD2 TYR A 406 6.600 -5.438 1.726 1.00 0.00 C ATOM 397 CE1 TYR A 406 7.361 -2.911 0.733 1.00 0.00 C ATOM 398 CE2 TYR A 406 6.985 -5.301 0.378 1.00 0.00 C ATOM 399 CZ TYR A 406 7.373 -4.037 -0.122 1.00 0.00 C ATOM 400 OH TYR A 406 7.767 -3.900 -1.420 1.00 0.00 O ATOM 0 H TYR A 406 4.678 -2.107 4.560 1.00 0.00 H new ATOM 0 HA TYR A 406 4.133 -4.933 4.032 1.00 0.00 H new ATOM 0 HB2 TYR A 406 6.908 -3.816 4.620 1.00 0.00 H new ATOM 0 HB3 TYR A 406 6.500 -5.498 4.343 1.00 0.00 H new ATOM 0 HD1 TYR A 406 6.963 -2.193 2.728 1.00 0.00 H new ATOM 0 HD2 TYR A 406 6.309 -6.406 2.107 1.00 0.00 H new ATOM 0 HE1 TYR A 406 7.650 -1.942 0.354 1.00 0.00 H new ATOM 0 HE2 TYR A 406 6.984 -6.162 -0.274 1.00 0.00 H new ATOM 0 HH TYR A 406 7.718 -4.769 -1.870 1.00 0.00 H new ATOM 410 N HIS A 407 4.651 -5.563 6.485 1.00 0.00 N ATOM 411 CA HIS A 407 4.420 -5.982 7.879 1.00 0.00 C ATOM 412 C HIS A 407 3.004 -5.645 8.410 1.00 0.00 C ATOM 413 O HIS A 407 2.802 -5.470 9.614 1.00 0.00 O ATOM 414 CB HIS A 407 5.560 -5.516 8.793 1.00 0.00 C ATOM 415 CG HIS A 407 6.915 -5.962 8.321 1.00 0.00 C ATOM 416 ND1 HIS A 407 7.299 -7.263 7.984 1.00 0.00 N ATOM 417 CD2 HIS A 407 7.963 -5.125 8.121 1.00 0.00 C ATOM 418 CE1 HIS A 407 8.581 -7.164 7.587 1.00 0.00 C ATOM 419 NE2 HIS A 407 9.010 -5.891 7.664 1.00 0.00 N ATOM 0 H HIS A 407 4.817 -6.363 5.875 1.00 0.00 H new ATOM 0 HA HIS A 407 4.439 -7.072 7.889 1.00 0.00 H new ATOM 0 HB2 HIS A 407 5.544 -4.428 8.857 1.00 0.00 H new ATOM 0 HB3 HIS A 407 5.389 -5.897 9.800 1.00 0.00 H new ATOM 0 HD2 HIS A 407 7.974 -4.058 8.289 1.00 0.00 H new ATOM 0 HE1 HIS A 407 9.184 -7.995 7.252 1.00 0.00 H new ATOM 0 HE2 HIS A 407 9.943 -5.555 7.426 1.00 0.00 H new ATOM 427 N LEU A 408 2.015 -5.536 7.513 1.00 0.00 N ATOM 428 CA LEU A 408 0.616 -5.228 7.849 1.00 0.00 C ATOM 429 C LEU A 408 -0.019 -6.363 8.681 1.00 0.00 C ATOM 430 O LEU A 408 0.440 -7.503 8.586 1.00 0.00 O ATOM 431 CB LEU A 408 -0.190 -4.980 6.553 1.00 0.00 C ATOM 432 CG LEU A 408 0.132 -3.657 5.828 1.00 0.00 C ATOM 433 CD1 LEU A 408 -0.494 -3.682 4.426 1.00 0.00 C ATOM 434 CD2 LEU A 408 -0.412 -2.445 6.602 1.00 0.00 C ATOM 0 H LEU A 408 2.167 -5.662 6.512 1.00 0.00 H new ATOM 0 HA LEU A 408 0.595 -4.324 8.457 1.00 0.00 H new ATOM 0 HB2 LEU A 408 -0.008 -5.807 5.866 1.00 0.00 H new ATOM 0 HB3 LEU A 408 -1.253 -4.995 6.795 1.00 0.00 H new ATOM 0 HG LEU A 408 1.216 -3.561 5.761 1.00 0.00 H new ATOM 0 HD11 LEU A 408 -0.269 -2.749 3.910 1.00 0.00 H new ATOM 0 HD12 LEU A 408 -0.084 -4.518 3.859 1.00 0.00 H new ATOM 0 HD13 LEU A 408 -1.574 -3.797 4.512 1.00 0.00 H new ATOM 0 HD21 LEU A 408 -0.167 -1.530 6.063 1.00 0.00 H new ATOM 0 HD22 LEU A 408 -1.494 -2.531 6.699 1.00 0.00 H new ATOM 0 HD23 LEU A 408 0.040 -2.414 7.594 1.00 0.00 H new ATOM 446 N PRO A 409 -1.071 -6.091 9.478 1.00 0.00 N ATOM 447 CA PRO A 409 -1.842 -7.133 10.155 1.00 0.00 C ATOM 448 C PRO A 409 -2.444 -8.136 9.157 1.00 0.00 C ATOM 449 O PRO A 409 -2.840 -7.765 8.052 1.00 0.00 O ATOM 450 CB PRO A 409 -2.922 -6.401 10.965 1.00 0.00 C ATOM 451 CG PRO A 409 -2.373 -4.982 11.116 1.00 0.00 C ATOM 452 CD PRO A 409 -1.576 -4.772 9.835 1.00 0.00 C ATOM 0 HA PRO A 409 -1.208 -7.733 10.808 1.00 0.00 H new ATOM 0 HB2 PRO A 409 -3.881 -6.405 10.447 1.00 0.00 H new ATOM 0 HB3 PRO A 409 -3.082 -6.872 11.935 1.00 0.00 H new ATOM 0 HG2 PRO A 409 -3.174 -4.250 11.215 1.00 0.00 H new ATOM 0 HG3 PRO A 409 -1.743 -4.887 12.001 1.00 0.00 H new ATOM 0 HD2 PRO A 409 -2.204 -4.363 9.043 1.00 0.00 H new ATOM 0 HD3 PRO A 409 -0.760 -4.067 9.990 1.00 0.00 H new ATOM 460 N GLN A 410 -2.538 -9.409 9.551 1.00 0.00 N ATOM 461 CA GLN A 410 -3.082 -10.491 8.712 1.00 0.00 C ATOM 462 C GLN A 410 -4.595 -10.345 8.438 1.00 0.00 C ATOM 463 O GLN A 410 -5.119 -10.945 7.497 1.00 0.00 O ATOM 464 CB GLN A 410 -2.746 -11.829 9.397 1.00 0.00 C ATOM 465 CG GLN A 410 -3.303 -13.053 8.655 1.00 0.00 C ATOM 466 CD GLN A 410 -2.738 -14.368 9.196 1.00 0.00 C ATOM 467 OE1 GLN A 410 -2.847 -14.691 10.374 1.00 0.00 O ATOM 468 NE2 GLN A 410 -2.111 -15.180 8.367 1.00 0.00 N ATOM 0 H GLN A 410 -2.236 -9.726 10.472 1.00 0.00 H new ATOM 0 HA GLN A 410 -2.620 -10.444 7.726 1.00 0.00 H new ATOM 0 HB2 GLN A 410 -1.663 -11.925 9.478 1.00 0.00 H new ATOM 0 HB3 GLN A 410 -3.142 -11.818 10.412 1.00 0.00 H new ATOM 0 HG2 GLN A 410 -4.389 -13.064 8.742 1.00 0.00 H new ATOM 0 HG3 GLN A 410 -3.069 -12.969 7.594 1.00 0.00 H new ATOM 0 HE21 GLN A 410 -2.011 -14.927 7.384 1.00 0.00 H new ATOM 0 HE22 GLN A 410 -1.726 -16.060 8.709 1.00 0.00 H new ATOM 477 N GLU A 411 -5.293 -9.530 9.231 1.00 0.00 N ATOM 478 CA GLU A 411 -6.732 -9.272 9.109 1.00 0.00 C ATOM 479 C GLU A 411 -7.075 -7.953 8.384 1.00 0.00 C ATOM 480 O GLU A 411 -8.244 -7.684 8.096 1.00 0.00 O ATOM 481 CB GLU A 411 -7.360 -9.297 10.509 1.00 0.00 C ATOM 482 CG GLU A 411 -6.902 -8.159 11.437 1.00 0.00 C ATOM 483 CD GLU A 411 -7.546 -8.299 12.824 1.00 0.00 C ATOM 484 OE1 GLU A 411 -8.658 -7.763 13.039 1.00 0.00 O ATOM 485 OE2 GLU A 411 -6.940 -8.944 13.714 1.00 0.00 O ATOM 0 H GLU A 411 -4.862 -9.015 9.999 1.00 0.00 H new ATOM 0 HA GLU A 411 -7.148 -10.061 8.483 1.00 0.00 H new ATOM 0 HB2 GLU A 411 -8.444 -9.251 10.407 1.00 0.00 H new ATOM 0 HB3 GLU A 411 -7.124 -10.251 10.982 1.00 0.00 H new ATOM 0 HG2 GLU A 411 -5.816 -8.174 11.531 1.00 0.00 H new ATOM 0 HG3 GLU A 411 -7.171 -7.197 11.001 1.00 0.00 H new ATOM 492 N PHE A 412 -6.067 -7.117 8.115 1.00 0.00 N ATOM 493 CA PHE A 412 -6.205 -5.776 7.532 1.00 0.00 C ATOM 494 C PHE A 412 -6.671 -5.851 6.069 1.00 0.00 C ATOM 495 O PHE A 412 -6.032 -6.519 5.254 1.00 0.00 O ATOM 496 CB PHE A 412 -4.862 -5.022 7.649 1.00 0.00 C ATOM 497 CG PHE A 412 -4.948 -3.643 8.273 1.00 0.00 C ATOM 498 CD1 PHE A 412 -5.386 -3.510 9.605 1.00 0.00 C ATOM 499 CD2 PHE A 412 -4.532 -2.501 7.558 1.00 0.00 C ATOM 500 CE1 PHE A 412 -5.422 -2.245 10.216 1.00 0.00 C ATOM 501 CE2 PHE A 412 -4.569 -1.236 8.171 1.00 0.00 C ATOM 502 CZ PHE A 412 -5.020 -1.107 9.497 1.00 0.00 C ATOM 0 H PHE A 412 -5.096 -7.364 8.304 1.00 0.00 H new ATOM 0 HA PHE A 412 -6.968 -5.229 8.086 1.00 0.00 H new ATOM 0 HB2 PHE A 412 -4.174 -5.628 8.239 1.00 0.00 H new ATOM 0 HB3 PHE A 412 -4.429 -4.926 6.653 1.00 0.00 H new ATOM 0 HD1 PHE A 412 -5.695 -4.384 10.159 1.00 0.00 H new ATOM 0 HD2 PHE A 412 -4.185 -2.598 6.540 1.00 0.00 H new ATOM 0 HE1 PHE A 412 -5.758 -2.148 11.238 1.00 0.00 H new ATOM 0 HE2 PHE A 412 -4.251 -0.362 7.623 1.00 0.00 H new ATOM 0 HZ PHE A 412 -5.057 -0.133 9.962 1.00 0.00 H new ATOM 512 N GLY A 413 -7.767 -5.166 5.726 1.00 0.00 N ATOM 513 CA GLY A 413 -8.318 -5.112 4.367 1.00 0.00 C ATOM 514 C GLY A 413 -8.007 -3.813 3.629 1.00 0.00 C ATOM 515 O GLY A 413 -7.342 -2.914 4.144 1.00 0.00 O ATOM 0 H GLY A 413 -8.307 -4.622 6.399 1.00 0.00 H new ATOM 0 HA2 GLY A 413 -7.924 -5.950 3.791 1.00 0.00 H new ATOM 0 HA3 GLY A 413 -9.399 -5.241 4.418 1.00 0.00 H new ATOM 519 N ASP A 414 -8.531 -3.704 2.408 1.00 0.00 N ATOM 520 CA ASP A 414 -8.303 -2.560 1.511 1.00 0.00 C ATOM 521 C ASP A 414 -8.822 -1.235 2.096 1.00 0.00 C ATOM 522 O ASP A 414 -8.199 -0.190 1.920 1.00 0.00 O ATOM 523 CB ASP A 414 -8.991 -2.818 0.160 1.00 0.00 C ATOM 524 CG ASP A 414 -8.529 -4.092 -0.556 1.00 0.00 C ATOM 525 OD1 ASP A 414 -7.329 -4.430 -0.463 1.00 0.00 O ATOM 526 OD2 ASP A 414 -9.353 -4.727 -1.251 1.00 0.00 O ATOM 0 H ASP A 414 -9.137 -4.418 2.003 1.00 0.00 H new ATOM 0 HA ASP A 414 -7.225 -2.464 1.383 1.00 0.00 H new ATOM 0 HB2 ASP A 414 -10.068 -2.877 0.320 1.00 0.00 H new ATOM 0 HB3 ASP A 414 -8.812 -1.964 -0.493 1.00 0.00 H new ATOM 531 N GLN A 415 -9.949 -1.287 2.815 1.00 0.00 N ATOM 532 CA GLN A 415 -10.553 -0.123 3.471 1.00 0.00 C ATOM 533 C GLN A 415 -9.801 0.263 4.751 1.00 0.00 C ATOM 534 O GLN A 415 -9.721 1.447 5.073 1.00 0.00 O ATOM 535 CB GLN A 415 -12.035 -0.395 3.776 1.00 0.00 C ATOM 536 CG GLN A 415 -12.889 -0.516 2.500 1.00 0.00 C ATOM 537 CD GLN A 415 -14.373 -0.793 2.774 1.00 0.00 C ATOM 538 OE1 GLN A 415 -14.905 -0.577 3.859 1.00 0.00 O ATOM 539 NE2 GLN A 415 -15.108 -1.286 1.798 1.00 0.00 N ATOM 0 H GLN A 415 -10.473 -2.150 2.959 1.00 0.00 H new ATOM 0 HA GLN A 415 -10.480 0.720 2.784 1.00 0.00 H new ATOM 0 HB2 GLN A 415 -12.120 -1.315 4.355 1.00 0.00 H new ATOM 0 HB3 GLN A 415 -12.428 0.410 4.397 1.00 0.00 H new ATOM 0 HG2 GLN A 415 -12.801 0.406 1.926 1.00 0.00 H new ATOM 0 HG3 GLN A 415 -12.488 -1.317 1.880 1.00 0.00 H new ATOM 0 HE21 GLN A 415 -14.688 -1.474 0.888 1.00 0.00 H new ATOM 0 HE22 GLN A 415 -16.097 -1.480 1.953 1.00 0.00 H new ATOM 548 N ASP A 416 -9.196 -0.701 5.454 1.00 0.00 N ATOM 549 CA ASP A 416 -8.362 -0.432 6.629 1.00 0.00 C ATOM 550 C ASP A 416 -7.042 0.235 6.216 1.00 0.00 C ATOM 551 O ASP A 416 -6.620 1.210 6.842 1.00 0.00 O ATOM 552 CB ASP A 416 -8.089 -1.725 7.409 1.00 0.00 C ATOM 553 CG ASP A 416 -9.368 -2.443 7.861 1.00 0.00 C ATOM 554 OD1 ASP A 416 -10.077 -1.916 8.753 1.00 0.00 O ATOM 555 OD2 ASP A 416 -9.641 -3.548 7.334 1.00 0.00 O ATOM 0 H ASP A 416 -9.272 -1.692 5.223 1.00 0.00 H new ATOM 0 HA ASP A 416 -8.905 0.253 7.280 1.00 0.00 H new ATOM 0 HB2 ASP A 416 -7.503 -2.400 6.786 1.00 0.00 H new ATOM 0 HB3 ASP A 416 -7.483 -1.492 8.284 1.00 0.00 H new ATOM 560 N LEU A 417 -6.430 -0.230 5.116 1.00 0.00 N ATOM 561 CA LEU A 417 -5.254 0.398 4.520 1.00 0.00 C ATOM 562 C LEU A 417 -5.571 1.802 3.984 1.00 0.00 C ATOM 563 O LEU A 417 -4.772 2.716 4.171 1.00 0.00 O ATOM 564 CB LEU A 417 -4.690 -0.524 3.421 1.00 0.00 C ATOM 565 CG LEU A 417 -3.312 -0.074 2.890 1.00 0.00 C ATOM 566 CD1 LEU A 417 -2.235 -0.199 3.977 1.00 0.00 C ATOM 567 CD2 LEU A 417 -2.911 -0.918 1.673 1.00 0.00 C ATOM 0 H LEU A 417 -6.745 -1.061 4.615 1.00 0.00 H new ATOM 0 HA LEU A 417 -4.494 0.532 5.290 1.00 0.00 H new ATOM 0 HB2 LEU A 417 -4.606 -1.537 3.815 1.00 0.00 H new ATOM 0 HB3 LEU A 417 -5.396 -0.562 2.591 1.00 0.00 H new ATOM 0 HG LEU A 417 -3.392 0.973 2.597 1.00 0.00 H new ATOM 0 HD11 LEU A 417 -1.274 0.124 3.576 1.00 0.00 H new ATOM 0 HD12 LEU A 417 -2.503 0.427 4.828 1.00 0.00 H new ATOM 0 HD13 LEU A 417 -2.162 -1.238 4.300 1.00 0.00 H new ATOM 0 HD21 LEU A 417 -1.937 -0.591 1.308 1.00 0.00 H new ATOM 0 HD22 LEU A 417 -2.857 -1.968 1.960 1.00 0.00 H new ATOM 0 HD23 LEU A 417 -3.654 -0.796 0.885 1.00 0.00 H new ATOM 579 N LEU A 418 -6.750 2.007 3.383 1.00 0.00 N ATOM 580 CA LEU A 418 -7.195 3.333 2.950 1.00 0.00 C ATOM 581 C LEU A 418 -7.363 4.277 4.147 1.00 0.00 C ATOM 582 O LEU A 418 -6.809 5.374 4.138 1.00 0.00 O ATOM 583 CB LEU A 418 -8.488 3.195 2.125 1.00 0.00 C ATOM 584 CG LEU A 418 -9.038 4.539 1.607 1.00 0.00 C ATOM 585 CD1 LEU A 418 -8.072 5.208 0.619 1.00 0.00 C ATOM 586 CD2 LEU A 418 -10.406 4.331 0.951 1.00 0.00 C ATOM 0 H LEU A 418 -7.417 1.261 3.185 1.00 0.00 H new ATOM 0 HA LEU A 418 -6.433 3.781 2.312 1.00 0.00 H new ATOM 0 HB2 LEU A 418 -8.299 2.538 1.276 1.00 0.00 H new ATOM 0 HB3 LEU A 418 -9.250 2.712 2.737 1.00 0.00 H new ATOM 0 HG LEU A 418 -9.146 5.204 2.464 1.00 0.00 H new ATOM 0 HD11 LEU A 418 -8.497 6.152 0.278 1.00 0.00 H new ATOM 0 HD12 LEU A 418 -7.119 5.396 1.113 1.00 0.00 H new ATOM 0 HD13 LEU A 418 -7.914 4.551 -0.236 1.00 0.00 H new ATOM 0 HD21 LEU A 418 -10.785 5.287 0.589 1.00 0.00 H new ATOM 0 HD22 LEU A 418 -10.307 3.639 0.114 1.00 0.00 H new ATOM 0 HD23 LEU A 418 -11.101 3.919 1.682 1.00 0.00 H new ATOM 598 N GLN A 419 -8.078 3.858 5.194 1.00 0.00 N ATOM 599 CA GLN A 419 -8.285 4.665 6.404 1.00 0.00 C ATOM 600 C GLN A 419 -6.974 4.959 7.157 1.00 0.00 C ATOM 601 O GLN A 419 -6.860 6.003 7.802 1.00 0.00 O ATOM 602 CB GLN A 419 -9.299 3.960 7.319 1.00 0.00 C ATOM 603 CG GLN A 419 -10.749 4.062 6.809 1.00 0.00 C ATOM 604 CD GLN A 419 -11.395 5.444 6.967 1.00 0.00 C ATOM 605 OE1 GLN A 419 -10.804 6.412 7.428 1.00 0.00 O ATOM 606 NE2 GLN A 419 -12.646 5.593 6.582 1.00 0.00 N ATOM 0 H GLN A 419 -8.533 2.946 5.229 1.00 0.00 H new ATOM 0 HA GLN A 419 -8.679 5.633 6.095 1.00 0.00 H new ATOM 0 HB2 GLN A 419 -9.026 2.909 7.411 1.00 0.00 H new ATOM 0 HB3 GLN A 419 -9.240 4.393 8.317 1.00 0.00 H new ATOM 0 HG2 GLN A 419 -10.768 3.787 5.754 1.00 0.00 H new ATOM 0 HG3 GLN A 419 -11.358 3.330 7.340 1.00 0.00 H new ATOM 0 HE21 GLN A 419 -13.158 4.800 6.195 1.00 0.00 H new ATOM 0 HE22 GLN A 419 -13.102 6.501 6.671 1.00 0.00 H new ATOM 615 N MET A 420 -5.962 4.092 7.035 1.00 0.00 N ATOM 616 CA MET A 420 -4.619 4.302 7.586 1.00 0.00 C ATOM 617 C MET A 420 -3.802 5.352 6.811 1.00 0.00 C ATOM 618 O MET A 420 -2.977 6.030 7.424 1.00 0.00 O ATOM 619 CB MET A 420 -3.912 2.934 7.653 1.00 0.00 C ATOM 620 CG MET A 420 -2.459 2.999 8.139 1.00 0.00 C ATOM 621 SD MET A 420 -1.631 1.388 8.192 1.00 0.00 S ATOM 622 CE MET A 420 -2.106 0.863 9.854 1.00 0.00 C ATOM 0 H MET A 420 -6.057 3.206 6.539 1.00 0.00 H new ATOM 0 HA MET A 420 -4.707 4.720 8.589 1.00 0.00 H new ATOM 0 HB2 MET A 420 -4.476 2.279 8.317 1.00 0.00 H new ATOM 0 HB3 MET A 420 -3.932 2.479 6.663 1.00 0.00 H new ATOM 0 HG2 MET A 420 -1.896 3.665 7.484 1.00 0.00 H new ATOM 0 HG3 MET A 420 -2.439 3.440 9.136 1.00 0.00 H new ATOM 0 HE1 MET A 420 -1.933 -0.208 9.961 1.00 0.00 H new ATOM 0 HE2 MET A 420 -1.510 1.402 10.590 1.00 0.00 H new ATOM 0 HE3 MET A 420 -3.162 1.078 10.015 1.00 0.00 H new ATOM 632 N PHE A 421 -4.033 5.525 5.502 1.00 0.00 N ATOM 633 CA PHE A 421 -3.213 6.372 4.618 1.00 0.00 C ATOM 634 C PHE A 421 -3.904 7.662 4.124 1.00 0.00 C ATOM 635 O PHE A 421 -3.215 8.618 3.766 1.00 0.00 O ATOM 636 CB PHE A 421 -2.652 5.512 3.471 1.00 0.00 C ATOM 637 CG PHE A 421 -1.413 4.702 3.845 1.00 0.00 C ATOM 638 CD1 PHE A 421 -1.516 3.550 4.647 1.00 0.00 C ATOM 639 CD2 PHE A 421 -0.138 5.116 3.408 1.00 0.00 C ATOM 640 CE1 PHE A 421 -0.364 2.841 5.032 1.00 0.00 C ATOM 641 CE2 PHE A 421 1.017 4.414 3.800 1.00 0.00 C ATOM 642 CZ PHE A 421 0.904 3.281 4.622 1.00 0.00 C ATOM 0 H PHE A 421 -4.808 5.073 5.017 1.00 0.00 H new ATOM 0 HA PHE A 421 -2.388 6.757 5.218 1.00 0.00 H new ATOM 0 HB2 PHE A 421 -3.430 4.829 3.130 1.00 0.00 H new ATOM 0 HB3 PHE A 421 -2.408 6.162 2.631 1.00 0.00 H new ATOM 0 HD1 PHE A 421 -2.488 3.207 4.970 1.00 0.00 H new ATOM 0 HD2 PHE A 421 -0.047 5.980 2.766 1.00 0.00 H new ATOM 0 HE1 PHE A 421 -0.455 1.956 5.644 1.00 0.00 H new ATOM 0 HE2 PHE A 421 1.990 4.746 3.469 1.00 0.00 H new ATOM 0 HZ PHE A 421 1.790 2.750 4.938 1.00 0.00 H new ATOM 652 N MET A 422 -5.237 7.774 4.187 1.00 0.00 N ATOM 653 CA MET A 422 -5.962 9.022 3.908 1.00 0.00 C ATOM 654 C MET A 422 -5.534 10.254 4.745 1.00 0.00 C ATOM 655 O MET A 422 -5.571 11.354 4.184 1.00 0.00 O ATOM 656 CB MET A 422 -7.469 8.782 4.060 1.00 0.00 C ATOM 657 CG MET A 422 -8.073 8.149 2.804 1.00 0.00 C ATOM 658 SD MET A 422 -9.882 8.213 2.683 1.00 0.00 S ATOM 659 CE MET A 422 -10.356 7.341 4.197 1.00 0.00 C ATOM 0 H MET A 422 -5.848 6.996 4.435 1.00 0.00 H new ATOM 0 HA MET A 422 -5.698 9.282 2.883 1.00 0.00 H new ATOM 0 HB2 MET A 422 -7.649 8.133 4.917 1.00 0.00 H new ATOM 0 HB3 MET A 422 -7.969 9.728 4.266 1.00 0.00 H new ATOM 0 HG2 MET A 422 -7.651 8.646 1.930 1.00 0.00 H new ATOM 0 HG3 MET A 422 -7.761 7.106 2.759 1.00 0.00 H new ATOM 0 HE1 MET A 422 -11.424 7.125 4.173 1.00 0.00 H new ATOM 0 HE2 MET A 422 -9.798 6.407 4.269 1.00 0.00 H new ATOM 0 HE3 MET A 422 -10.131 7.965 5.062 1.00 0.00 H new ATOM 669 N PRO A 423 -5.105 10.130 6.022 1.00 0.00 N ATOM 670 CA PRO A 423 -4.632 11.258 6.832 1.00 0.00 C ATOM 671 C PRO A 423 -3.447 12.056 6.258 1.00 0.00 C ATOM 672 O PRO A 423 -3.212 13.175 6.714 1.00 0.00 O ATOM 673 CB PRO A 423 -4.268 10.661 8.194 1.00 0.00 C ATOM 674 CG PRO A 423 -5.223 9.478 8.317 1.00 0.00 C ATOM 675 CD PRO A 423 -5.282 8.965 6.882 1.00 0.00 C ATOM 0 HA PRO A 423 -5.428 12.002 6.873 1.00 0.00 H new ATOM 0 HB2 PRO A 423 -3.226 10.344 8.230 1.00 0.00 H new ATOM 0 HB3 PRO A 423 -4.410 11.380 9.001 1.00 0.00 H new ATOM 0 HG2 PRO A 423 -4.848 8.721 9.005 1.00 0.00 H new ATOM 0 HG3 PRO A 423 -6.204 9.782 8.682 1.00 0.00 H new ATOM 0 HD2 PRO A 423 -4.501 8.226 6.701 1.00 0.00 H new ATOM 0 HD3 PRO A 423 -6.236 8.476 6.683 1.00 0.00 H new ATOM 683 N PHE A 424 -2.716 11.520 5.269 1.00 0.00 N ATOM 684 CA PHE A 424 -1.530 12.164 4.681 1.00 0.00 C ATOM 685 C PHE A 424 -1.807 12.859 3.336 1.00 0.00 C ATOM 686 O PHE A 424 -0.964 13.619 2.854 1.00 0.00 O ATOM 687 CB PHE A 424 -0.403 11.127 4.564 1.00 0.00 C ATOM 688 CG PHE A 424 -0.244 10.273 5.807 1.00 0.00 C ATOM 689 CD1 PHE A 424 0.079 10.868 7.041 1.00 0.00 C ATOM 690 CD2 PHE A 424 -0.520 8.896 5.749 1.00 0.00 C ATOM 691 CE1 PHE A 424 0.109 10.090 8.212 1.00 0.00 C ATOM 692 CE2 PHE A 424 -0.464 8.114 6.915 1.00 0.00 C ATOM 693 CZ PHE A 424 -0.166 8.713 8.149 1.00 0.00 C ATOM 0 H PHE A 424 -2.934 10.616 4.849 1.00 0.00 H new ATOM 0 HA PHE A 424 -1.224 12.968 5.351 1.00 0.00 H new ATOM 0 HB2 PHE A 424 -0.601 10.480 3.710 1.00 0.00 H new ATOM 0 HB3 PHE A 424 0.536 11.642 4.363 1.00 0.00 H new ATOM 0 HD1 PHE A 424 0.304 11.923 7.089 1.00 0.00 H new ATOM 0 HD2 PHE A 424 -0.776 8.438 4.805 1.00 0.00 H new ATOM 0 HE1 PHE A 424 0.343 10.551 9.160 1.00 0.00 H new ATOM 0 HE2 PHE A 424 -0.650 7.052 6.862 1.00 0.00 H new ATOM 0 HZ PHE A 424 -0.148 8.116 9.049 1.00 0.00 H new ATOM 703 N GLY A 425 -2.995 12.643 2.756 1.00 0.00 N ATOM 704 CA GLY A 425 -3.498 13.357 1.573 1.00 0.00 C ATOM 705 C GLY A 425 -4.373 12.524 0.635 1.00 0.00 C ATOM 706 O GLY A 425 -4.916 11.484 1.008 1.00 0.00 O ATOM 0 H GLY A 425 -3.653 11.946 3.107 1.00 0.00 H new ATOM 0 HA2 GLY A 425 -4.071 14.222 1.907 1.00 0.00 H new ATOM 0 HA3 GLY A 425 -2.647 13.737 1.008 1.00 0.00 H new ATOM 710 N ASN A 426 -4.530 13.012 -0.598 1.00 0.00 N ATOM 711 CA ASN A 426 -5.447 12.464 -1.604 1.00 0.00 C ATOM 712 C ASN A 426 -4.960 11.112 -2.169 1.00 0.00 C ATOM 713 O ASN A 426 -4.206 11.071 -3.145 1.00 0.00 O ATOM 714 CB ASN A 426 -5.661 13.502 -2.722 1.00 0.00 C ATOM 715 CG ASN A 426 -6.335 14.774 -2.216 1.00 0.00 C ATOM 716 OD1 ASN A 426 -5.685 15.694 -1.733 1.00 0.00 O ATOM 717 ND2 ASN A 426 -7.652 14.864 -2.304 1.00 0.00 N ATOM 0 H ASN A 426 -4.009 13.822 -0.935 1.00 0.00 H new ATOM 0 HA ASN A 426 -6.402 12.259 -1.120 1.00 0.00 H new ATOM 0 HB2 ASN A 426 -4.699 13.756 -3.166 1.00 0.00 H new ATOM 0 HB3 ASN A 426 -6.270 13.061 -3.511 1.00 0.00 H new ATOM 0 HD21 ASN A 426 -8.129 15.701 -1.969 1.00 0.00 H new ATOM 0 HD22 ASN A 426 -8.190 14.096 -2.707 1.00 0.00 H new ATOM 724 N VAL A 427 -5.410 10.008 -1.565 1.00 0.00 N ATOM 725 CA VAL A 427 -5.172 8.631 -2.040 1.00 0.00 C ATOM 726 C VAL A 427 -6.013 8.364 -3.302 1.00 0.00 C ATOM 727 O VAL A 427 -7.222 8.587 -3.312 1.00 0.00 O ATOM 728 CB VAL A 427 -5.477 7.579 -0.941 1.00 0.00 C ATOM 729 CG1 VAL A 427 -5.295 6.140 -1.452 1.00 0.00 C ATOM 730 CG2 VAL A 427 -4.569 7.757 0.288 1.00 0.00 C ATOM 0 H VAL A 427 -5.965 10.042 -0.710 1.00 0.00 H new ATOM 0 HA VAL A 427 -4.114 8.536 -2.286 1.00 0.00 H new ATOM 0 HB VAL A 427 -6.518 7.742 -0.663 1.00 0.00 H new ATOM 0 HG11 VAL A 427 -5.519 5.438 -0.649 1.00 0.00 H new ATOM 0 HG12 VAL A 427 -5.971 5.963 -2.288 1.00 0.00 H new ATOM 0 HG13 VAL A 427 -4.266 5.998 -1.781 1.00 0.00 H new ATOM 0 HG21 VAL A 427 -4.814 7.001 1.034 1.00 0.00 H new ATOM 0 HG22 VAL A 427 -3.527 7.647 -0.011 1.00 0.00 H new ATOM 0 HG23 VAL A 427 -4.722 8.749 0.713 1.00 0.00 H new ATOM 740 N VAL A 428 -5.353 7.879 -4.353 1.00 0.00 N ATOM 741 CA VAL A 428 -5.920 7.522 -5.668 1.00 0.00 C ATOM 742 C VAL A 428 -6.316 6.038 -5.726 1.00 0.00 C ATOM 743 O VAL A 428 -7.319 5.690 -6.345 1.00 0.00 O ATOM 744 CB VAL A 428 -4.902 7.859 -6.791 1.00 0.00 C ATOM 745 CG1 VAL A 428 -5.255 7.264 -8.166 1.00 0.00 C ATOM 746 CG2 VAL A 428 -4.772 9.383 -6.943 1.00 0.00 C ATOM 0 H VAL A 428 -4.347 7.712 -4.315 1.00 0.00 H new ATOM 0 HA VAL A 428 -6.826 8.109 -5.819 1.00 0.00 H new ATOM 0 HB VAL A 428 -3.963 7.404 -6.476 1.00 0.00 H new ATOM 0 HG11 VAL A 428 -4.493 7.548 -8.892 1.00 0.00 H new ATOM 0 HG12 VAL A 428 -5.299 6.177 -8.092 1.00 0.00 H new ATOM 0 HG13 VAL A 428 -6.224 7.645 -8.490 1.00 0.00 H new ATOM 0 HG21 VAL A 428 -4.056 9.610 -7.733 1.00 0.00 H new ATOM 0 HG22 VAL A 428 -5.743 9.807 -7.200 1.00 0.00 H new ATOM 0 HG23 VAL A 428 -4.425 9.814 -6.004 1.00 0.00 H new ATOM 756 N SER A 429 -5.562 5.162 -5.057 1.00 0.00 N ATOM 757 CA SER A 429 -5.797 3.711 -4.985 1.00 0.00 C ATOM 758 C SER A 429 -5.079 3.113 -3.767 1.00 0.00 C ATOM 759 O SER A 429 -3.994 3.571 -3.401 1.00 0.00 O ATOM 760 CB SER A 429 -5.325 3.027 -6.277 1.00 0.00 C ATOM 761 OG SER A 429 -6.346 3.065 -7.262 1.00 0.00 O ATOM 0 H SER A 429 -4.739 5.451 -4.529 1.00 0.00 H new ATOM 0 HA SER A 429 -6.867 3.538 -4.874 1.00 0.00 H new ATOM 0 HB2 SER A 429 -4.431 3.524 -6.653 1.00 0.00 H new ATOM 0 HB3 SER A 429 -5.051 1.993 -6.069 1.00 0.00 H new ATOM 0 HG SER A 429 -6.868 3.888 -7.161 1.00 0.00 H new ATOM 767 N ALA A 430 -5.683 2.093 -3.148 1.00 0.00 N ATOM 768 CA ALA A 430 -5.175 1.376 -1.979 1.00 0.00 C ATOM 769 C ALA A 430 -5.659 -0.082 -1.999 1.00 0.00 C ATOM 770 O ALA A 430 -6.837 -0.358 -2.245 1.00 0.00 O ATOM 771 CB ALA A 430 -5.627 2.097 -0.700 1.00 0.00 C ATOM 0 H ALA A 430 -6.582 1.730 -3.465 1.00 0.00 H new ATOM 0 HA ALA A 430 -4.085 1.364 -2.002 1.00 0.00 H new ATOM 0 HB1 ALA A 430 -5.249 1.563 0.172 1.00 0.00 H new ATOM 0 HB2 ALA A 430 -5.237 3.115 -0.699 1.00 0.00 H new ATOM 0 HB3 ALA A 430 -6.716 2.125 -0.664 1.00 0.00 H new ATOM 777 N LYS A 431 -4.755 -1.024 -1.729 1.00 0.00 N ATOM 778 CA LYS A 431 -5.018 -2.460 -1.852 1.00 0.00 C ATOM 779 C LYS A 431 -4.096 -3.286 -0.934 1.00 0.00 C ATOM 780 O LYS A 431 -2.893 -3.038 -0.884 1.00 0.00 O ATOM 781 CB LYS A 431 -4.812 -2.847 -3.340 1.00 0.00 C ATOM 782 CG LYS A 431 -5.129 -4.314 -3.686 1.00 0.00 C ATOM 783 CD LYS A 431 -6.639 -4.579 -3.752 1.00 0.00 C ATOM 784 CE LYS A 431 -6.946 -6.070 -3.566 1.00 0.00 C ATOM 785 NZ LYS A 431 -8.402 -6.313 -3.404 1.00 0.00 N ATOM 0 H LYS A 431 -3.808 -0.810 -1.415 1.00 0.00 H new ATOM 0 HA LYS A 431 -6.039 -2.678 -1.539 1.00 0.00 H new ATOM 0 HB2 LYS A 431 -5.438 -2.202 -3.957 1.00 0.00 H new ATOM 0 HB3 LYS A 431 -3.777 -2.642 -3.612 1.00 0.00 H new ATOM 0 HG2 LYS A 431 -4.675 -4.566 -4.644 1.00 0.00 H new ATOM 0 HG3 LYS A 431 -4.679 -4.968 -2.939 1.00 0.00 H new ATOM 0 HD2 LYS A 431 -7.147 -4.001 -2.980 1.00 0.00 H new ATOM 0 HD3 LYS A 431 -7.029 -4.241 -4.712 1.00 0.00 H new ATOM 0 HE2 LYS A 431 -6.577 -6.628 -4.427 1.00 0.00 H new ATOM 0 HE3 LYS A 431 -6.415 -6.445 -2.691 1.00 0.00 H new ATOM 0 HZ1 LYS A 431 -8.566 -7.322 -3.213 1.00 0.00 H new ATOM 0 HZ2 LYS A 431 -8.762 -5.747 -2.609 1.00 0.00 H new ATOM 0 HZ3 LYS A 431 -8.899 -6.040 -4.276 1.00 0.00 H new ATOM 799 N VAL A 432 -4.636 -4.293 -0.252 1.00 0.00 N ATOM 800 CA VAL A 432 -3.899 -5.323 0.497 1.00 0.00 C ATOM 801 C VAL A 432 -3.988 -6.633 -0.293 1.00 0.00 C ATOM 802 O VAL A 432 -5.061 -6.985 -0.785 1.00 0.00 O ATOM 803 CB VAL A 432 -4.483 -5.533 1.914 1.00 0.00 C ATOM 804 CG1 VAL A 432 -3.621 -6.539 2.696 1.00 0.00 C ATOM 805 CG2 VAL A 432 -4.549 -4.232 2.731 1.00 0.00 C ATOM 0 H VAL A 432 -5.646 -4.425 -0.200 1.00 0.00 H new ATOM 0 HA VAL A 432 -2.864 -5.002 0.617 1.00 0.00 H new ATOM 0 HB VAL A 432 -5.498 -5.905 1.774 1.00 0.00 H new ATOM 0 HG11 VAL A 432 -4.040 -6.680 3.692 1.00 0.00 H new ATOM 0 HG12 VAL A 432 -3.608 -7.493 2.169 1.00 0.00 H new ATOM 0 HG13 VAL A 432 -2.604 -6.157 2.781 1.00 0.00 H new ATOM 0 HG21 VAL A 432 -4.967 -4.442 3.716 1.00 0.00 H new ATOM 0 HG22 VAL A 432 -3.546 -3.821 2.843 1.00 0.00 H new ATOM 0 HG23 VAL A 432 -5.181 -3.510 2.215 1.00 0.00 H new ATOM 815 N PHE A 433 -2.869 -7.348 -0.432 1.00 0.00 N ATOM 816 CA PHE A 433 -2.812 -8.607 -1.179 1.00 0.00 C ATOM 817 C PHE A 433 -3.282 -9.786 -0.309 1.00 0.00 C ATOM 818 O PHE A 433 -2.943 -9.878 0.871 1.00 0.00 O ATOM 819 CB PHE A 433 -1.404 -8.776 -1.766 1.00 0.00 C ATOM 820 CG PHE A 433 -1.064 -7.678 -2.762 1.00 0.00 C ATOM 821 CD1 PHE A 433 -1.603 -7.714 -4.063 1.00 0.00 C ATOM 822 CD2 PHE A 433 -0.269 -6.584 -2.375 1.00 0.00 C ATOM 823 CE1 PHE A 433 -1.346 -6.666 -4.966 1.00 0.00 C ATOM 824 CE2 PHE A 433 -0.002 -5.541 -3.277 1.00 0.00 C ATOM 825 CZ PHE A 433 -0.544 -5.579 -4.574 1.00 0.00 C ATOM 0 H PHE A 433 -1.975 -7.069 -0.029 1.00 0.00 H new ATOM 0 HA PHE A 433 -3.507 -8.586 -2.019 1.00 0.00 H new ATOM 0 HB2 PHE A 433 -0.672 -8.772 -0.958 1.00 0.00 H new ATOM 0 HB3 PHE A 433 -1.331 -9.746 -2.257 1.00 0.00 H new ATOM 0 HD1 PHE A 433 -2.216 -8.549 -4.368 1.00 0.00 H new ATOM 0 HD2 PHE A 433 0.139 -6.546 -1.376 1.00 0.00 H new ATOM 0 HE1 PHE A 433 -1.765 -6.696 -5.961 1.00 0.00 H new ATOM 0 HE2 PHE A 433 0.619 -4.711 -2.975 1.00 0.00 H new ATOM 0 HZ PHE A 433 -0.345 -4.775 -5.268 1.00 0.00 H new ATOM 963 N LYS A 442 -1.706 -11.124 3.176 1.00 0.00 N ATOM 964 CA LYS A 442 -0.301 -11.563 3.085 1.00 0.00 C ATOM 965 C LYS A 442 0.697 -10.696 3.890 1.00 0.00 C ATOM 966 O LYS A 442 1.911 -10.877 3.775 1.00 0.00 O ATOM 967 CB LYS A 442 0.098 -11.630 1.597 1.00 0.00 C ATOM 968 CG LYS A 442 -0.687 -12.673 0.788 1.00 0.00 C ATOM 969 CD LYS A 442 -0.150 -12.733 -0.649 1.00 0.00 C ATOM 970 CE LYS A 442 -0.873 -13.823 -1.447 1.00 0.00 C ATOM 971 NZ LYS A 442 -0.367 -13.917 -2.842 1.00 0.00 N ATOM 0 HA LYS A 442 -0.242 -12.548 3.548 1.00 0.00 H new ATOM 0 HB2 LYS A 442 -0.051 -10.649 1.147 1.00 0.00 H new ATOM 0 HB3 LYS A 442 1.162 -11.855 1.526 1.00 0.00 H new ATOM 0 HG2 LYS A 442 -0.600 -13.652 1.259 1.00 0.00 H new ATOM 0 HG3 LYS A 442 -1.746 -12.417 0.779 1.00 0.00 H new ATOM 0 HD2 LYS A 442 -0.287 -11.767 -1.135 1.00 0.00 H new ATOM 0 HD3 LYS A 442 0.921 -12.934 -0.635 1.00 0.00 H new ATOM 0 HE2 LYS A 442 -0.744 -14.784 -0.949 1.00 0.00 H new ATOM 0 HE3 LYS A 442 -1.942 -13.613 -1.462 1.00 0.00 H new ATOM 0 HZ1 LYS A 442 -0.882 -14.666 -3.348 1.00 0.00 H new ATOM 0 HZ2 LYS A 442 -0.513 -13.008 -3.326 1.00 0.00 H new ATOM 0 HZ3 LYS A 442 0.648 -14.143 -2.829 1.00 0.00 H new ATOM 985 N CYS A 443 0.194 -9.733 4.674 1.00 0.00 N ATOM 986 CA CYS A 443 0.939 -8.740 5.463 1.00 0.00 C ATOM 987 C CYS A 443 1.656 -7.681 4.597 1.00 0.00 C ATOM 988 O CYS A 443 2.552 -6.995 5.089 1.00 0.00 O ATOM 989 CB CYS A 443 1.882 -9.420 6.477 1.00 0.00 C ATOM 990 SG CYS A 443 1.011 -10.686 7.456 1.00 0.00 S ATOM 0 H CYS A 443 -0.814 -9.619 4.782 1.00 0.00 H new ATOM 0 HA CYS A 443 0.199 -8.180 6.035 1.00 0.00 H new ATOM 0 HB2 CYS A 443 2.717 -9.879 5.948 1.00 0.00 H new ATOM 0 HB3 CYS A 443 2.303 -8.668 7.145 1.00 0.00 H new ATOM 0 HG CYS A 443 1.841 -11.234 8.294 1.00 0.00 H new ATOM 996 N PHE A 444 1.262 -7.511 3.330 1.00 0.00 N ATOM 997 CA PHE A 444 1.775 -6.463 2.444 1.00 0.00 C ATOM 998 C PHE A 444 0.699 -5.948 1.474 1.00 0.00 C ATOM 999 O PHE A 444 -0.294 -6.625 1.196 1.00 0.00 O ATOM 1000 CB PHE A 444 3.067 -6.921 1.739 1.00 0.00 C ATOM 1001 CG PHE A 444 2.900 -7.972 0.657 1.00 0.00 C ATOM 1002 CD1 PHE A 444 2.621 -7.582 -0.667 1.00 0.00 C ATOM 1003 CD2 PHE A 444 3.065 -9.337 0.958 1.00 0.00 C ATOM 1004 CE1 PHE A 444 2.478 -8.552 -1.677 1.00 0.00 C ATOM 1005 CE2 PHE A 444 2.933 -10.305 -0.054 1.00 0.00 C ATOM 1006 CZ PHE A 444 2.630 -9.915 -1.370 1.00 0.00 C ATOM 0 H PHE A 444 0.566 -8.109 2.885 1.00 0.00 H new ATOM 0 HA PHE A 444 2.044 -5.603 3.058 1.00 0.00 H new ATOM 0 HB2 PHE A 444 3.545 -6.047 1.297 1.00 0.00 H new ATOM 0 HB3 PHE A 444 3.750 -7.311 2.494 1.00 0.00 H new ATOM 0 HD1 PHE A 444 2.516 -6.535 -0.908 1.00 0.00 H new ATOM 0 HD2 PHE A 444 3.294 -9.642 1.969 1.00 0.00 H new ATOM 0 HE1 PHE A 444 2.251 -8.249 -2.688 1.00 0.00 H new ATOM 0 HE2 PHE A 444 3.065 -11.351 0.181 1.00 0.00 H new ATOM 0 HZ PHE A 444 2.514 -10.660 -2.143 1.00 0.00 H new ATOM 1016 N GLY A 445 0.894 -4.716 1.000 1.00 0.00 N ATOM 1017 CA GLY A 445 -0.067 -3.927 0.227 1.00 0.00 C ATOM 1018 C GLY A 445 0.583 -2.832 -0.621 1.00 0.00 C ATOM 1019 O GLY A 445 1.806 -2.705 -0.683 1.00 0.00 O ATOM 0 H GLY A 445 1.770 -4.217 1.153 1.00 0.00 H new ATOM 0 HA2 GLY A 445 -0.631 -4.594 -0.425 1.00 0.00 H new ATOM 0 HA3 GLY A 445 -0.782 -3.469 0.910 1.00 0.00 H new ATOM 1023 N PHE A 446 -0.258 -2.028 -1.264 1.00 0.00 N ATOM 1024 CA PHE A 446 0.108 -0.916 -2.138 1.00 0.00 C ATOM 1025 C PHE A 446 -0.830 0.277 -1.902 1.00 0.00 C ATOM 1026 O PHE A 446 -2.021 0.090 -1.651 1.00 0.00 O ATOM 1027 CB PHE A 446 0.049 -1.391 -3.598 1.00 0.00 C ATOM 1028 CG PHE A 446 0.317 -0.297 -4.617 1.00 0.00 C ATOM 1029 CD1 PHE A 446 1.638 0.091 -4.900 1.00 0.00 C ATOM 1030 CD2 PHE A 446 -0.753 0.359 -5.259 1.00 0.00 C ATOM 1031 CE1 PHE A 446 1.896 1.118 -5.824 1.00 0.00 C ATOM 1032 CE2 PHE A 446 -0.496 1.385 -6.185 1.00 0.00 C ATOM 1033 CZ PHE A 446 0.828 1.763 -6.472 1.00 0.00 C ATOM 0 H PHE A 446 -1.269 -2.140 -1.186 1.00 0.00 H new ATOM 0 HA PHE A 446 1.122 -0.585 -1.914 1.00 0.00 H new ATOM 0 HB2 PHE A 446 0.777 -2.190 -3.739 1.00 0.00 H new ATOM 0 HB3 PHE A 446 -0.935 -1.819 -3.790 1.00 0.00 H new ATOM 0 HD1 PHE A 446 2.460 -0.403 -4.404 1.00 0.00 H new ATOM 0 HD2 PHE A 446 -1.771 0.073 -5.039 1.00 0.00 H new ATOM 0 HE1 PHE A 446 2.914 1.411 -6.036 1.00 0.00 H new ATOM 0 HE2 PHE A 446 -1.317 1.884 -6.677 1.00 0.00 H new ATOM 0 HZ PHE A 446 1.024 2.547 -7.189 1.00 0.00 H new ATOM 1043 N VAL A 447 -0.295 1.495 -2.003 1.00 0.00 N ATOM 1044 CA VAL A 447 -1.029 2.767 -1.868 1.00 0.00 C ATOM 1045 C VAL A 447 -0.454 3.774 -2.867 1.00 0.00 C ATOM 1046 O VAL A 447 0.758 3.846 -3.041 1.00 0.00 O ATOM 1047 CB VAL A 447 -0.946 3.342 -0.429 1.00 0.00 C ATOM 1048 CG1 VAL A 447 -1.694 4.682 -0.294 1.00 0.00 C ATOM 1049 CG2 VAL A 447 -1.531 2.378 0.617 1.00 0.00 C ATOM 0 H VAL A 447 0.698 1.634 -2.188 1.00 0.00 H new ATOM 0 HA VAL A 447 -2.082 2.578 -2.076 1.00 0.00 H new ATOM 0 HB VAL A 447 0.118 3.490 -0.244 1.00 0.00 H new ATOM 0 HG11 VAL A 447 -1.608 5.045 0.730 1.00 0.00 H new ATOM 0 HG12 VAL A 447 -1.258 5.412 -0.976 1.00 0.00 H new ATOM 0 HG13 VAL A 447 -2.746 4.538 -0.541 1.00 0.00 H new ATOM 0 HG21 VAL A 447 -1.450 2.824 1.608 1.00 0.00 H new ATOM 0 HG22 VAL A 447 -2.580 2.187 0.389 1.00 0.00 H new ATOM 0 HG23 VAL A 447 -0.978 1.439 0.596 1.00 0.00 H new ATOM 1059 N SER A 448 -1.303 4.570 -3.511 1.00 0.00 N ATOM 1060 CA SER A 448 -0.882 5.625 -4.442 1.00 0.00 C ATOM 1061 C SER A 448 -1.667 6.925 -4.240 1.00 0.00 C ATOM 1062 O SER A 448 -2.861 6.894 -3.937 1.00 0.00 O ATOM 1063 CB SER A 448 -1.049 5.138 -5.884 1.00 0.00 C ATOM 1064 OG SER A 448 -0.582 6.110 -6.793 1.00 0.00 O ATOM 0 H SER A 448 -2.315 4.504 -3.403 1.00 0.00 H new ATOM 0 HA SER A 448 0.167 5.842 -4.239 1.00 0.00 H new ATOM 0 HB2 SER A 448 -0.500 4.207 -6.025 1.00 0.00 H new ATOM 0 HB3 SER A 448 -2.099 4.922 -6.081 1.00 0.00 H new ATOM 0 HG SER A 448 0.395 6.064 -6.848 1.00 0.00 H new ATOM 1070 N TYR A 449 -1.006 8.071 -4.429 1.00 0.00 N ATOM 1071 CA TYR A 449 -1.549 9.419 -4.231 1.00 0.00 C ATOM 1072 C TYR A 449 -1.607 10.252 -5.525 1.00 0.00 C ATOM 1073 O TYR A 449 -0.966 9.940 -6.530 1.00 0.00 O ATOM 1074 CB TYR A 449 -0.692 10.161 -3.193 1.00 0.00 C ATOM 1075 CG TYR A 449 -0.788 9.634 -1.778 1.00 0.00 C ATOM 1076 CD1 TYR A 449 -0.048 8.500 -1.390 1.00 0.00 C ATOM 1077 CD2 TYR A 449 -1.617 10.289 -0.846 1.00 0.00 C ATOM 1078 CE1 TYR A 449 -0.123 8.034 -0.067 1.00 0.00 C ATOM 1079 CE2 TYR A 449 -1.708 9.817 0.475 1.00 0.00 C ATOM 1080 CZ TYR A 449 -0.955 8.688 0.864 1.00 0.00 C ATOM 1081 OH TYR A 449 -1.040 8.210 2.128 1.00 0.00 O ATOM 0 H TYR A 449 -0.034 8.085 -4.738 1.00 0.00 H new ATOM 0 HA TYR A 449 -2.576 9.298 -3.885 1.00 0.00 H new ATOM 0 HB2 TYR A 449 0.350 10.118 -3.509 1.00 0.00 H new ATOM 0 HB3 TYR A 449 -0.981 11.212 -3.192 1.00 0.00 H new ATOM 0 HD1 TYR A 449 0.576 7.990 -2.109 1.00 0.00 H new ATOM 0 HD2 TYR A 449 -2.185 11.157 -1.148 1.00 0.00 H new ATOM 0 HE1 TYR A 449 0.457 7.175 0.237 1.00 0.00 H new ATOM 0 HE2 TYR A 449 -2.349 10.315 1.187 1.00 0.00 H new ATOM 0 HH TYR A 449 -1.897 8.476 2.521 1.00 0.00 H new ATOM 1091 N ASP A 450 -2.346 11.362 -5.476 1.00 0.00 N ATOM 1092 CA ASP A 450 -2.433 12.357 -6.555 1.00 0.00 C ATOM 1093 C ASP A 450 -1.125 13.161 -6.750 1.00 0.00 C ATOM 1094 O ASP A 450 -0.901 13.724 -7.820 1.00 0.00 O ATOM 1095 CB ASP A 450 -3.619 13.284 -6.246 1.00 0.00 C ATOM 1096 CG ASP A 450 -3.929 14.272 -7.385 1.00 0.00 C ATOM 1097 OD1 ASP A 450 -4.273 13.813 -8.501 1.00 0.00 O ATOM 1098 OD2 ASP A 450 -3.877 15.502 -7.144 1.00 0.00 O ATOM 0 H ASP A 450 -2.916 11.603 -4.665 1.00 0.00 H new ATOM 0 HA ASP A 450 -2.588 11.836 -7.500 1.00 0.00 H new ATOM 0 HB2 ASP A 450 -4.503 12.678 -6.048 1.00 0.00 H new ATOM 0 HB3 ASP A 450 -3.406 13.844 -5.336 1.00 0.00 H new ATOM 1103 N ASN A 451 -0.244 13.179 -5.738 1.00 0.00 N ATOM 1104 CA ASN A 451 1.035 13.904 -5.712 1.00 0.00 C ATOM 1105 C ASN A 451 2.086 13.137 -4.873 1.00 0.00 C ATOM 1106 O ASN A 451 1.711 12.333 -4.014 1.00 0.00 O ATOM 1107 CB ASN A 451 0.844 15.308 -5.103 1.00 0.00 C ATOM 1108 CG ASN A 451 -0.305 16.113 -5.703 1.00 0.00 C ATOM 1109 OD1 ASN A 451 -0.195 16.686 -6.780 1.00 0.00 O ATOM 1110 ND2 ASN A 451 -1.423 16.198 -5.002 1.00 0.00 N ATOM 0 H ASN A 451 -0.413 12.663 -4.874 1.00 0.00 H new ATOM 0 HA ASN A 451 1.387 13.991 -6.740 1.00 0.00 H new ATOM 0 HB2 ASN A 451 0.676 15.204 -4.031 1.00 0.00 H new ATOM 0 HB3 ASN A 451 1.768 15.872 -5.228 1.00 0.00 H new ATOM 0 HD21 ASN A 451 -2.207 16.746 -5.357 1.00 0.00 H new ATOM 0 HD22 ASN A 451 -1.501 15.716 -4.107 1.00 0.00 H new ATOM 1117 N PRO A 452 3.397 13.398 -5.055 1.00 0.00 N ATOM 1118 CA PRO A 452 4.441 12.710 -4.302 1.00 0.00 C ATOM 1119 C PRO A 452 4.679 13.290 -2.900 1.00 0.00 C ATOM 1120 O PRO A 452 5.224 12.588 -2.056 1.00 0.00 O ATOM 1121 CB PRO A 452 5.683 12.796 -5.186 1.00 0.00 C ATOM 1122 CG PRO A 452 5.508 14.096 -5.955 1.00 0.00 C ATOM 1123 CD PRO A 452 3.987 14.242 -6.089 1.00 0.00 C ATOM 0 HA PRO A 452 4.153 11.679 -4.095 1.00 0.00 H new ATOM 0 HB2 PRO A 452 6.595 12.806 -4.590 1.00 0.00 H new ATOM 0 HB3 PRO A 452 5.752 11.942 -5.859 1.00 0.00 H new ATOM 0 HG2 PRO A 452 5.945 14.939 -5.420 1.00 0.00 H new ATOM 0 HG3 PRO A 452 5.993 14.052 -6.930 1.00 0.00 H new ATOM 0 HD2 PRO A 452 3.684 15.281 -5.961 1.00 0.00 H new ATOM 0 HD3 PRO A 452 3.653 13.933 -7.079 1.00 0.00 H new ATOM 1131 N VAL A 453 4.251 14.525 -2.609 1.00 0.00 N ATOM 1132 CA VAL A 453 4.467 15.158 -1.290 1.00 0.00 C ATOM 1133 C VAL A 453 3.562 14.527 -0.222 1.00 0.00 C ATOM 1134 O VAL A 453 4.035 14.194 0.863 1.00 0.00 O ATOM 1135 CB VAL A 453 4.267 16.693 -1.344 1.00 0.00 C ATOM 1136 CG1 VAL A 453 4.476 17.359 0.029 1.00 0.00 C ATOM 1137 CG2 VAL A 453 5.236 17.341 -2.350 1.00 0.00 C ATOM 0 H VAL A 453 3.748 15.115 -3.272 1.00 0.00 H new ATOM 0 HA VAL A 453 5.505 14.975 -1.012 1.00 0.00 H new ATOM 0 HB VAL A 453 3.236 16.852 -1.659 1.00 0.00 H new ATOM 0 HG11 VAL A 453 4.325 18.435 -0.062 1.00 0.00 H new ATOM 0 HG12 VAL A 453 3.761 16.951 0.744 1.00 0.00 H new ATOM 0 HG13 VAL A 453 5.490 17.163 0.378 1.00 0.00 H new ATOM 0 HG21 VAL A 453 5.074 18.419 -2.368 1.00 0.00 H new ATOM 0 HG22 VAL A 453 6.263 17.133 -2.051 1.00 0.00 H new ATOM 0 HG23 VAL A 453 5.057 16.930 -3.344 1.00 0.00 H new ATOM 1147 N SER A 454 2.285 14.286 -0.535 1.00 0.00 N ATOM 1148 CA SER A 454 1.355 13.547 0.334 1.00 0.00 C ATOM 1149 C SER A 454 1.757 12.073 0.504 1.00 0.00 C ATOM 1150 O SER A 454 1.593 11.500 1.583 1.00 0.00 O ATOM 1151 CB SER A 454 -0.065 13.656 -0.240 1.00 0.00 C ATOM 1152 OG SER A 454 -0.083 13.535 -1.660 1.00 0.00 O ATOM 0 H SER A 454 1.860 14.601 -1.407 1.00 0.00 H new ATOM 0 HA SER A 454 1.392 13.996 1.327 1.00 0.00 H new ATOM 0 HB2 SER A 454 -0.692 12.879 0.197 1.00 0.00 H new ATOM 0 HB3 SER A 454 -0.498 14.614 0.047 1.00 0.00 H new ATOM 0 HG SER A 454 -0.003 14.424 -2.065 1.00 0.00 H new ATOM 1158 N ALA A 455 2.372 11.481 -0.525 1.00 0.00 N ATOM 1159 CA ALA A 455 2.912 10.125 -0.479 1.00 0.00 C ATOM 1160 C ALA A 455 4.142 10.018 0.432 1.00 0.00 C ATOM 1161 O ALA A 455 4.177 9.174 1.323 1.00 0.00 O ATOM 1162 CB ALA A 455 3.220 9.692 -1.913 1.00 0.00 C ATOM 0 H ALA A 455 2.509 11.940 -1.425 1.00 0.00 H new ATOM 0 HA ALA A 455 2.173 9.454 -0.041 1.00 0.00 H new ATOM 0 HB1 ALA A 455 3.626 8.680 -1.908 1.00 0.00 H new ATOM 0 HB2 ALA A 455 2.304 9.713 -2.504 1.00 0.00 H new ATOM 0 HB3 ALA A 455 3.950 10.374 -2.350 1.00 0.00 H new ATOM 1168 N GLN A 456 5.139 10.892 0.265 1.00 0.00 N ATOM 1169 CA GLN A 456 6.345 10.877 1.097 1.00 0.00 C ATOM 1170 C GLN A 456 6.045 11.251 2.556 1.00 0.00 C ATOM 1171 O GLN A 456 6.673 10.699 3.460 1.00 0.00 O ATOM 1172 CB GLN A 456 7.439 11.764 0.485 1.00 0.00 C ATOM 1173 CG GLN A 456 8.010 11.141 -0.803 1.00 0.00 C ATOM 1174 CD GLN A 456 9.267 11.860 -1.298 1.00 0.00 C ATOM 1175 OE1 GLN A 456 9.312 13.073 -1.466 1.00 0.00 O ATOM 1176 NE2 GLN A 456 10.347 11.141 -1.538 1.00 0.00 N ATOM 0 H GLN A 456 5.133 11.624 -0.445 1.00 0.00 H new ATOM 0 HA GLN A 456 6.721 9.854 1.117 1.00 0.00 H new ATOM 0 HB2 GLN A 456 7.030 12.750 0.264 1.00 0.00 H new ATOM 0 HB3 GLN A 456 8.241 11.907 1.209 1.00 0.00 H new ATOM 0 HG2 GLN A 456 8.244 10.092 -0.622 1.00 0.00 H new ATOM 0 HG3 GLN A 456 7.249 11.168 -1.583 1.00 0.00 H new ATOM 0 HE21 GLN A 456 10.327 10.130 -1.403 1.00 0.00 H new ATOM 0 HE22 GLN A 456 11.202 11.596 -1.858 1.00 0.00 H new ATOM 1185 N ALA A 457 5.028 12.085 2.808 1.00 0.00 N ATOM 1186 CA ALA A 457 4.517 12.336 4.156 1.00 0.00 C ATOM 1187 C ALA A 457 3.952 11.065 4.818 1.00 0.00 C ATOM 1188 O ALA A 457 4.086 10.907 6.033 1.00 0.00 O ATOM 1189 CB ALA A 457 3.471 13.456 4.088 1.00 0.00 C ATOM 0 H ALA A 457 4.538 12.604 2.080 1.00 0.00 H new ATOM 0 HA ALA A 457 5.345 12.652 4.790 1.00 0.00 H new ATOM 0 HB1 ALA A 457 3.083 13.652 5.087 1.00 0.00 H new ATOM 0 HB2 ALA A 457 3.932 14.361 3.694 1.00 0.00 H new ATOM 0 HB3 ALA A 457 2.654 13.151 3.434 1.00 0.00 H new ATOM 1195 N ALA A 458 3.392 10.126 4.042 1.00 0.00 N ATOM 1196 CA ALA A 458 2.965 8.825 4.551 1.00 0.00 C ATOM 1197 C ALA A 458 4.159 7.907 4.844 1.00 0.00 C ATOM 1198 O ALA A 458 4.175 7.264 5.891 1.00 0.00 O ATOM 1199 CB ALA A 458 1.984 8.192 3.562 1.00 0.00 C ATOM 0 H ALA A 458 3.224 10.252 3.044 1.00 0.00 H new ATOM 0 HA ALA A 458 2.456 8.969 5.504 1.00 0.00 H new ATOM 0 HB1 ALA A 458 1.663 7.221 3.939 1.00 0.00 H new ATOM 0 HB2 ALA A 458 1.116 8.841 3.445 1.00 0.00 H new ATOM 0 HB3 ALA A 458 2.473 8.063 2.596 1.00 0.00 H new ATOM 1205 N ILE A 459 5.199 7.896 3.994 1.00 0.00 N ATOM 1206 CA ILE A 459 6.451 7.153 4.271 1.00 0.00 C ATOM 1207 C ILE A 459 7.064 7.630 5.595 1.00 0.00 C ATOM 1208 O ILE A 459 7.363 6.814 6.463 1.00 0.00 O ATOM 1209 CB ILE A 459 7.493 7.261 3.128 1.00 0.00 C ATOM 1210 CG1 ILE A 459 6.884 6.975 1.741 1.00 0.00 C ATOM 1211 CG2 ILE A 459 8.662 6.287 3.394 1.00 0.00 C ATOM 1212 CD1 ILE A 459 7.880 7.166 0.594 1.00 0.00 C ATOM 0 H ILE A 459 5.202 8.394 3.104 1.00 0.00 H new ATOM 0 HA ILE A 459 6.180 6.100 4.345 1.00 0.00 H new ATOM 0 HB ILE A 459 7.853 8.290 3.117 1.00 0.00 H new ATOM 0 HG12 ILE A 459 6.508 5.952 1.720 1.00 0.00 H new ATOM 0 HG13 ILE A 459 6.029 7.632 1.584 1.00 0.00 H new ATOM 0 HG21 ILE A 459 9.392 6.366 2.588 1.00 0.00 H new ATOM 0 HG22 ILE A 459 9.138 6.540 4.341 1.00 0.00 H new ATOM 0 HG23 ILE A 459 8.282 5.266 3.440 1.00 0.00 H new ATOM 0 HD11 ILE A 459 7.389 6.949 -0.354 1.00 0.00 H new ATOM 0 HD12 ILE A 459 8.238 8.196 0.590 1.00 0.00 H new ATOM 0 HD13 ILE A 459 8.724 6.489 0.728 1.00 0.00 H new ATOM 1224 N GLN A 460 7.193 8.947 5.777 1.00 0.00 N ATOM 1225 CA GLN A 460 7.794 9.545 6.975 1.00 0.00 C ATOM 1226 C GLN A 460 6.918 9.413 8.237 1.00 0.00 C ATOM 1227 O GLN A 460 7.426 9.582 9.346 1.00 0.00 O ATOM 1228 CB GLN A 460 8.135 11.022 6.698 1.00 0.00 C ATOM 1229 CG GLN A 460 9.248 11.225 5.650 1.00 0.00 C ATOM 1230 CD GLN A 460 10.608 10.641 6.049 1.00 0.00 C ATOM 1231 OE1 GLN A 460 10.958 10.502 7.215 1.00 0.00 O ATOM 1232 NE2 GLN A 460 11.436 10.263 5.094 1.00 0.00 N ATOM 0 H GLN A 460 6.881 9.635 5.092 1.00 0.00 H new ATOM 0 HA GLN A 460 8.704 8.985 7.189 1.00 0.00 H new ATOM 0 HB2 GLN A 460 7.234 11.534 6.360 1.00 0.00 H new ATOM 0 HB3 GLN A 460 8.439 11.495 7.632 1.00 0.00 H new ATOM 0 HG2 GLN A 460 8.933 10.771 4.711 1.00 0.00 H new ATOM 0 HG3 GLN A 460 9.365 12.293 5.464 1.00 0.00 H new ATOM 0 HE21 GLN A 460 11.168 10.368 4.115 1.00 0.00 H new ATOM 0 HE22 GLN A 460 12.344 9.865 5.334 1.00 0.00 H new ATOM 1241 N SER A 461 5.631 9.078 8.104 1.00 0.00 N ATOM 1242 CA SER A 461 4.723 8.863 9.245 1.00 0.00 C ATOM 1243 C SER A 461 4.520 7.379 9.601 1.00 0.00 C ATOM 1244 O SER A 461 4.316 7.060 10.775 1.00 0.00 O ATOM 1245 CB SER A 461 3.353 9.496 8.964 1.00 0.00 C ATOM 1246 OG SER A 461 3.453 10.896 8.747 1.00 0.00 O ATOM 0 H SER A 461 5.183 8.946 7.197 1.00 0.00 H new ATOM 0 HA SER A 461 5.203 9.340 10.099 1.00 0.00 H new ATOM 0 HB2 SER A 461 2.907 9.024 8.089 1.00 0.00 H new ATOM 0 HB3 SER A 461 2.685 9.305 9.804 1.00 0.00 H new ATOM 0 HG SER A 461 3.680 11.066 7.809 1.00 0.00 H new ATOM 1252 N MET A 462 4.597 6.471 8.616 1.00 0.00 N ATOM 1253 CA MET A 462 4.204 5.060 8.766 1.00 0.00 C ATOM 1254 C MET A 462 5.359 4.061 8.682 1.00 0.00 C ATOM 1255 O MET A 462 5.232 2.951 9.197 1.00 0.00 O ATOM 1256 CB MET A 462 3.138 4.703 7.721 1.00 0.00 C ATOM 1257 CG MET A 462 1.886 5.587 7.814 1.00 0.00 C ATOM 1258 SD MET A 462 1.168 5.787 9.472 1.00 0.00 S ATOM 1259 CE MET A 462 0.624 4.101 9.796 1.00 0.00 C ATOM 0 H MET A 462 4.938 6.698 7.682 1.00 0.00 H new ATOM 0 HA MET A 462 3.808 4.972 9.778 1.00 0.00 H new ATOM 0 HB2 MET A 462 3.569 4.797 6.724 1.00 0.00 H new ATOM 0 HB3 MET A 462 2.849 3.659 7.847 1.00 0.00 H new ATOM 0 HG2 MET A 462 2.134 6.575 7.426 1.00 0.00 H new ATOM 0 HG3 MET A 462 1.122 5.170 7.158 1.00 0.00 H new ATOM 0 HE1 MET A 462 -0.158 4.111 10.556 1.00 0.00 H new ATOM 0 HE2 MET A 462 0.233 3.662 8.878 1.00 0.00 H new ATOM 0 HE3 MET A 462 1.467 3.508 10.151 1.00 0.00 H new ATOM 1269 N ASN A 463 6.499 4.425 8.090 1.00 0.00 N ATOM 1270 CA ASN A 463 7.680 3.564 8.100 1.00 0.00 C ATOM 1271 C ASN A 463 8.268 3.500 9.526 1.00 0.00 C ATOM 1272 O ASN A 463 8.744 4.505 10.060 1.00 0.00 O ATOM 1273 CB ASN A 463 8.686 4.065 7.058 1.00 0.00 C ATOM 1274 CG ASN A 463 9.809 3.061 6.844 1.00 0.00 C ATOM 1275 OD1 ASN A 463 9.566 1.942 6.406 1.00 0.00 O ATOM 1276 ND2 ASN A 463 11.043 3.410 7.151 1.00 0.00 N ATOM 0 H ASN A 463 6.627 5.310 7.599 1.00 0.00 H new ATOM 0 HA ASN A 463 7.413 2.544 7.824 1.00 0.00 H new ATOM 0 HB2 ASN A 463 8.174 4.247 6.113 1.00 0.00 H new ATOM 0 HB3 ASN A 463 9.104 5.018 7.382 1.00 0.00 H new ATOM 0 HD21 ASN A 463 11.807 2.746 7.025 1.00 0.00 H new ATOM 0 HD22 ASN A 463 11.233 4.344 7.515 1.00 0.00 H new ATOM 1283 N GLY A 464 8.192 2.322 10.153 1.00 0.00 N ATOM 1284 CA GLY A 464 8.548 2.081 11.561 1.00 0.00 C ATOM 1285 C GLY A 464 7.388 2.207 12.562 1.00 0.00 C ATOM 1286 O GLY A 464 7.623 2.051 13.760 1.00 0.00 O ATOM 0 H GLY A 464 7.870 1.478 9.680 1.00 0.00 H new ATOM 0 HA2 GLY A 464 8.972 1.080 11.645 1.00 0.00 H new ATOM 0 HA3 GLY A 464 9.331 2.784 11.846 1.00 0.00 H new ATOM 1290 N PHE A 465 6.151 2.467 12.114 1.00 0.00 N ATOM 1291 CA PHE A 465 4.967 2.604 12.979 1.00 0.00 C ATOM 1292 C PHE A 465 4.634 1.278 13.677 1.00 0.00 C ATOM 1293 O PHE A 465 4.428 0.266 13.006 1.00 0.00 O ATOM 1294 CB PHE A 465 3.787 3.090 12.126 1.00 0.00 C ATOM 1295 CG PHE A 465 2.472 3.290 12.863 1.00 0.00 C ATOM 1296 CD1 PHE A 465 1.562 2.224 13.026 1.00 0.00 C ATOM 1297 CD2 PHE A 465 2.139 4.567 13.355 1.00 0.00 C ATOM 1298 CE1 PHE A 465 0.333 2.438 13.676 1.00 0.00 C ATOM 1299 CE2 PHE A 465 0.911 4.778 14.006 1.00 0.00 C ATOM 1300 CZ PHE A 465 0.007 3.714 14.166 1.00 0.00 C ATOM 0 H PHE A 465 5.940 2.590 11.124 1.00 0.00 H new ATOM 0 HA PHE A 465 5.174 3.333 13.763 1.00 0.00 H new ATOM 0 HB2 PHE A 465 4.066 4.034 11.659 1.00 0.00 H new ATOM 0 HB3 PHE A 465 3.625 2.372 11.322 1.00 0.00 H new ATOM 0 HD1 PHE A 465 1.810 1.242 12.651 1.00 0.00 H new ATOM 0 HD2 PHE A 465 2.830 5.388 13.232 1.00 0.00 H new ATOM 0 HE1 PHE A 465 -0.361 1.620 13.799 1.00 0.00 H new ATOM 0 HE2 PHE A 465 0.662 5.759 14.384 1.00 0.00 H new ATOM 0 HZ PHE A 465 -0.937 3.877 14.665 1.00 0.00 H new ATOM 1310 N GLN A 466 4.574 1.264 15.011 1.00 0.00 N ATOM 1311 CA GLN A 466 4.293 0.045 15.771 1.00 0.00 C ATOM 1312 C GLN A 466 2.788 -0.249 15.813 1.00 0.00 C ATOM 1313 O GLN A 466 1.982 0.622 16.144 1.00 0.00 O ATOM 1314 CB GLN A 466 4.919 0.134 17.175 1.00 0.00 C ATOM 1315 CG GLN A 466 4.924 -1.248 17.858 1.00 0.00 C ATOM 1316 CD GLN A 466 5.696 -1.292 19.175 1.00 0.00 C ATOM 1317 OE1 GLN A 466 6.734 -0.660 19.347 1.00 0.00 O ATOM 1318 NE2 GLN A 466 5.245 -2.072 20.137 1.00 0.00 N ATOM 0 H GLN A 466 4.718 2.091 15.590 1.00 0.00 H new ATOM 0 HA GLN A 466 4.756 -0.801 15.263 1.00 0.00 H new ATOM 0 HB2 GLN A 466 5.939 0.512 17.101 1.00 0.00 H new ATOM 0 HB3 GLN A 466 4.359 0.844 17.784 1.00 0.00 H new ATOM 0 HG2 GLN A 466 3.894 -1.553 18.043 1.00 0.00 H new ATOM 0 HG3 GLN A 466 5.355 -1.978 17.173 1.00 0.00 H new ATOM 0 HE21 GLN A 466 4.383 -2.601 20.003 1.00 0.00 H new ATOM 0 HE22 GLN A 466 5.758 -2.147 21.016 1.00 0.00 H new ATOM 1327 N ILE A 467 2.412 -1.495 15.505 1.00 0.00 N ATOM 1328 CA ILE A 467 1.016 -1.955 15.467 1.00 0.00 C ATOM 1329 C ILE A 467 0.922 -3.360 16.087 1.00 0.00 C ATOM 1330 O ILE A 467 1.028 -4.393 15.420 1.00 0.00 O ATOM 1331 CB ILE A 467 0.444 -1.761 14.036 1.00 0.00 C ATOM 1332 CG1 ILE A 467 -1.097 -1.830 14.058 1.00 0.00 C ATOM 1333 CG2 ILE A 467 1.054 -2.688 12.967 1.00 0.00 C ATOM 1334 CD1 ILE A 467 -1.760 -1.484 12.717 1.00 0.00 C ATOM 0 H ILE A 467 3.081 -2.228 15.270 1.00 0.00 H new ATOM 0 HA ILE A 467 0.357 -1.352 16.091 1.00 0.00 H new ATOM 0 HB ILE A 467 0.748 -0.762 13.723 1.00 0.00 H new ATOM 0 HG12 ILE A 467 -1.401 -2.835 14.353 1.00 0.00 H new ATOM 0 HG13 ILE A 467 -1.470 -1.148 14.822 1.00 0.00 H new ATOM 0 HG21 ILE A 467 0.594 -2.481 12.001 1.00 0.00 H new ATOM 0 HG22 ILE A 467 2.128 -2.512 12.903 1.00 0.00 H new ATOM 0 HG23 ILE A 467 0.872 -3.727 13.240 1.00 0.00 H new ATOM 0 HD11 ILE A 467 -2.843 -1.556 12.817 1.00 0.00 H new ATOM 0 HD12 ILE A 467 -1.489 -0.468 12.429 1.00 0.00 H new ATOM 0 HD13 ILE A 467 -1.419 -2.182 11.952 1.00 0.00 H new ATOM 1392 N ARG A 471 6.466 -3.688 13.782 1.00 0.00 N ATOM 1393 CA ARG A 471 6.588 -2.346 13.191 1.00 0.00 C ATOM 1394 C ARG A 471 6.440 -2.408 11.667 1.00 0.00 C ATOM 1395 O ARG A 471 7.070 -3.235 11.006 1.00 0.00 O ATOM 1396 CB ARG A 471 7.910 -1.687 13.631 1.00 0.00 C ATOM 1397 CG ARG A 471 7.853 -1.344 15.129 1.00 0.00 C ATOM 1398 CD ARG A 471 9.088 -0.614 15.661 1.00 0.00 C ATOM 1399 NE ARG A 471 8.890 -0.278 17.083 1.00 0.00 N ATOM 1400 CZ ARG A 471 9.618 0.540 17.829 1.00 0.00 C ATOM 1401 NH1 ARG A 471 10.699 1.140 17.373 1.00 0.00 N ATOM 1402 NH2 ARG A 471 9.243 0.758 19.069 1.00 0.00 N ATOM 0 HA ARG A 471 5.777 -1.718 13.559 1.00 0.00 H new ATOM 0 HB2 ARG A 471 8.744 -2.360 13.435 1.00 0.00 H new ATOM 0 HB3 ARG A 471 8.087 -0.783 13.049 1.00 0.00 H new ATOM 0 HG2 ARG A 471 6.974 -0.727 15.314 1.00 0.00 H new ATOM 0 HG3 ARG A 471 7.720 -2.266 15.695 1.00 0.00 H new ATOM 0 HD2 ARG A 471 9.972 -1.241 15.545 1.00 0.00 H new ATOM 0 HD3 ARG A 471 9.263 0.294 15.083 1.00 0.00 H new ATOM 0 HE ARG A 471 8.100 -0.728 17.546 1.00 0.00 H new ATOM 0 HH11 ARG A 471 11.003 0.982 16.412 1.00 0.00 H new ATOM 0 HH12 ARG A 471 11.231 1.763 17.981 1.00 0.00 H new ATOM 0 HH21 ARG A 471 8.408 0.302 19.437 1.00 0.00 H new ATOM 0 HH22 ARG A 471 9.787 1.384 19.664 1.00 0.00 H new ATOM 1416 N LEU A 472 5.574 -1.544 11.129 1.00 0.00 N ATOM 1417 CA LEU A 472 5.288 -1.411 9.698 1.00 0.00 C ATOM 1418 C LEU A 472 6.525 -0.948 8.919 1.00 0.00 C ATOM 1419 O LEU A 472 7.437 -0.331 9.467 1.00 0.00 O ATOM 1420 CB LEU A 472 4.131 -0.411 9.485 1.00 0.00 C ATOM 1421 CG LEU A 472 2.755 -0.834 10.034 1.00 0.00 C ATOM 1422 CD1 LEU A 472 1.707 0.232 9.691 1.00 0.00 C ATOM 1423 CD2 LEU A 472 2.310 -2.182 9.456 1.00 0.00 C ATOM 0 H LEU A 472 5.033 -0.894 11.700 1.00 0.00 H new ATOM 0 HA LEU A 472 5.000 -2.392 9.320 1.00 0.00 H new ATOM 0 HB2 LEU A 472 4.408 0.536 9.948 1.00 0.00 H new ATOM 0 HB3 LEU A 472 4.031 -0.226 8.415 1.00 0.00 H new ATOM 0 HG LEU A 472 2.846 -0.936 11.115 1.00 0.00 H new ATOM 0 HD11 LEU A 472 0.736 -0.073 10.082 1.00 0.00 H new ATOM 0 HD12 LEU A 472 1.996 1.183 10.138 1.00 0.00 H new ATOM 0 HD13 LEU A 472 1.643 0.345 8.609 1.00 0.00 H new ATOM 0 HD21 LEU A 472 1.336 -2.449 9.865 1.00 0.00 H new ATOM 0 HD22 LEU A 472 2.240 -2.107 8.371 1.00 0.00 H new ATOM 0 HD23 LEU A 472 3.037 -2.949 9.721 1.00 0.00 H new ATOM 1435 N LYS A 473 6.519 -1.194 7.613 1.00 0.00 N ATOM 1436 CA LYS A 473 7.564 -0.785 6.667 1.00 0.00 C ATOM 1437 C LYS A 473 6.917 -0.203 5.399 1.00 0.00 C ATOM 1438 O LYS A 473 5.913 -0.732 4.925 1.00 0.00 O ATOM 1439 CB LYS A 473 8.453 -2.018 6.415 1.00 0.00 C ATOM 1440 CG LYS A 473 9.387 -1.942 5.197 1.00 0.00 C ATOM 1441 CD LYS A 473 10.190 -3.250 5.083 1.00 0.00 C ATOM 1442 CE LYS A 473 11.090 -3.280 3.840 1.00 0.00 C ATOM 1443 NZ LYS A 473 10.327 -3.515 2.584 1.00 0.00 N ATOM 0 H LYS A 473 5.759 -1.703 7.162 1.00 0.00 H new ATOM 0 HA LYS A 473 8.196 0.012 7.058 1.00 0.00 H new ATOM 0 HB2 LYS A 473 9.061 -2.189 7.303 1.00 0.00 H new ATOM 0 HB3 LYS A 473 7.807 -2.888 6.298 1.00 0.00 H new ATOM 0 HG2 LYS A 473 8.806 -1.779 4.289 1.00 0.00 H new ATOM 0 HG3 LYS A 473 10.065 -1.094 5.298 1.00 0.00 H new ATOM 0 HD2 LYS A 473 10.804 -3.375 5.975 1.00 0.00 H new ATOM 0 HD3 LYS A 473 9.501 -4.094 5.049 1.00 0.00 H new ATOM 0 HE2 LYS A 473 11.627 -2.335 3.762 1.00 0.00 H new ATOM 0 HE3 LYS A 473 11.839 -4.063 3.957 1.00 0.00 H new ATOM 0 HZ1 LYS A 473 10.689 -2.890 1.836 1.00 0.00 H new ATOM 0 HZ2 LYS A 473 10.438 -4.507 2.291 1.00 0.00 H new ATOM 0 HZ3 LYS A 473 9.320 -3.313 2.747 1.00 0.00 H new ATOM 1457 N VAL A 474 7.469 0.876 4.844 1.00 0.00 N ATOM 1458 CA VAL A 474 6.948 1.551 3.640 1.00 0.00 C ATOM 1459 C VAL A 474 8.114 1.964 2.734 1.00 0.00 C ATOM 1460 O VAL A 474 9.112 2.489 3.226 1.00 0.00 O ATOM 1461 CB VAL A 474 6.106 2.801 3.998 1.00 0.00 C ATOM 1462 CG1 VAL A 474 5.458 3.379 2.734 1.00 0.00 C ATOM 1463 CG2 VAL A 474 5.004 2.505 5.028 1.00 0.00 C ATOM 0 H VAL A 474 8.307 1.319 5.221 1.00 0.00 H new ATOM 0 HA VAL A 474 6.299 0.846 3.120 1.00 0.00 H new ATOM 0 HB VAL A 474 6.794 3.520 4.443 1.00 0.00 H new ATOM 0 HG11 VAL A 474 4.868 4.257 2.997 1.00 0.00 H new ATOM 0 HG12 VAL A 474 6.235 3.662 2.024 1.00 0.00 H new ATOM 0 HG13 VAL A 474 4.810 2.629 2.282 1.00 0.00 H new ATOM 0 HG21 VAL A 474 4.448 3.419 5.239 1.00 0.00 H new ATOM 0 HG22 VAL A 474 4.325 1.751 4.628 1.00 0.00 H new ATOM 0 HG23 VAL A 474 5.456 2.135 5.948 1.00 0.00 H new ATOM 1473 N GLN A 475 7.982 1.755 1.420 1.00 0.00 N ATOM 1474 CA GLN A 475 8.978 2.147 0.413 1.00 0.00 C ATOM 1475 C GLN A 475 8.308 2.636 -0.881 1.00 0.00 C ATOM 1476 O GLN A 475 7.182 2.251 -1.198 1.00 0.00 O ATOM 1477 CB GLN A 475 9.908 0.961 0.086 1.00 0.00 C ATOM 1478 CG GLN A 475 10.876 0.605 1.224 1.00 0.00 C ATOM 1479 CD GLN A 475 11.844 -0.507 0.815 1.00 0.00 C ATOM 1480 OE1 GLN A 475 11.506 -1.685 0.802 1.00 0.00 O ATOM 1481 NE2 GLN A 475 13.076 -0.194 0.473 1.00 0.00 N ATOM 0 H GLN A 475 7.163 1.299 1.017 1.00 0.00 H new ATOM 0 HA GLN A 475 9.561 2.966 0.834 1.00 0.00 H new ATOM 0 HB2 GLN A 475 9.300 0.087 -0.149 1.00 0.00 H new ATOM 0 HB3 GLN A 475 10.484 1.198 -0.809 1.00 0.00 H new ATOM 0 HG2 GLN A 475 11.441 1.492 1.512 1.00 0.00 H new ATOM 0 HG3 GLN A 475 10.308 0.290 2.100 1.00 0.00 H new ATOM 0 HE21 GLN A 475 13.375 0.781 0.478 1.00 0.00 H new ATOM 0 HE22 GLN A 475 13.732 -0.927 0.203 1.00 0.00 H new ATOM 1490 N LEU A 476 9.026 3.462 -1.651 1.00 0.00 N ATOM 1491 CA LEU A 476 8.644 3.847 -3.017 1.00 0.00 C ATOM 1492 C LEU A 476 8.687 2.657 -3.990 1.00 0.00 C ATOM 1493 O LEU A 476 9.444 1.699 -3.814 1.00 0.00 O ATOM 1494 CB LEU A 476 9.587 4.952 -3.542 1.00 0.00 C ATOM 1495 CG LEU A 476 9.439 6.342 -2.894 1.00 0.00 C ATOM 1496 CD1 LEU A 476 10.488 7.278 -3.504 1.00 0.00 C ATOM 1497 CD2 LEU A 476 8.048 6.941 -3.132 1.00 0.00 C ATOM 0 H LEU A 476 9.899 3.888 -1.340 1.00 0.00 H new ATOM 0 HA LEU A 476 7.618 4.213 -2.968 1.00 0.00 H new ATOM 0 HB2 LEU A 476 10.615 4.618 -3.404 1.00 0.00 H new ATOM 0 HB3 LEU A 476 9.427 5.056 -4.615 1.00 0.00 H new ATOM 0 HG LEU A 476 9.579 6.232 -1.819 1.00 0.00 H new ATOM 0 HD11 LEU A 476 10.397 8.268 -3.056 1.00 0.00 H new ATOM 0 HD12 LEU A 476 11.485 6.882 -3.311 1.00 0.00 H new ATOM 0 HD13 LEU A 476 10.329 7.351 -4.580 1.00 0.00 H new ATOM 0 HD21 LEU A 476 7.988 7.921 -2.658 1.00 0.00 H new ATOM 0 HD22 LEU A 476 7.875 7.045 -4.203 1.00 0.00 H new ATOM 0 HD23 LEU A 476 7.291 6.284 -2.704 1.00 0.00 H new ATOM 1509 N LYS A 477 7.928 2.768 -5.085 1.00 0.00 N ATOM 1510 CA LYS A 477 7.953 1.815 -6.206 1.00 0.00 C ATOM 1511 C LYS A 477 9.293 1.818 -6.975 1.00 0.00 C ATOM 1512 O LYS A 477 9.741 0.764 -7.438 1.00 0.00 O ATOM 1513 CB LYS A 477 6.760 2.137 -7.132 1.00 0.00 C ATOM 1514 CG LYS A 477 6.713 1.236 -8.378 1.00 0.00 C ATOM 1515 CD LYS A 477 5.429 1.430 -9.196 1.00 0.00 C ATOM 1516 CE LYS A 477 5.488 0.516 -10.429 1.00 0.00 C ATOM 1517 NZ LYS A 477 4.293 0.672 -11.294 1.00 0.00 N ATOM 0 H LYS A 477 7.268 3.533 -5.222 1.00 0.00 H new ATOM 0 HA LYS A 477 7.861 0.803 -5.810 1.00 0.00 H new ATOM 0 HB2 LYS A 477 5.831 2.025 -6.573 1.00 0.00 H new ATOM 0 HB3 LYS A 477 6.820 3.179 -7.445 1.00 0.00 H new ATOM 0 HG2 LYS A 477 7.577 1.448 -9.008 1.00 0.00 H new ATOM 0 HG3 LYS A 477 6.790 0.193 -8.071 1.00 0.00 H new ATOM 0 HD2 LYS A 477 4.555 1.191 -8.590 1.00 0.00 H new ATOM 0 HD3 LYS A 477 5.330 2.471 -9.502 1.00 0.00 H new ATOM 0 HE2 LYS A 477 6.385 0.742 -11.006 1.00 0.00 H new ATOM 0 HE3 LYS A 477 5.570 -0.522 -10.107 1.00 0.00 H new ATOM 0 HZ1 LYS A 477 4.473 0.229 -12.217 1.00 0.00 H new ATOM 0 HZ2 LYS A 477 3.476 0.213 -10.843 1.00 0.00 H new ATOM 0 HZ3 LYS A 477 4.092 1.683 -11.429 1.00 0.00 H new