USER MOD reduce.3.24.130724 H: found=0, std=0, add=580, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 582 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 394 GLN : amide:sc= 0.914 K(o=2.2,f=-6.3!) USER MOD Set 1.2: A 431 LYS NZ :NH3+ 176:sc= 1.28 (180deg=0.227) USER MOD Single : A 393 SER OG : rot 180:sc= 0.00581 USER MOD Single : A 395 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 402 ASN : amide:sc= 0.583 K(o=0.58,f=-5!) USER MOD Single : A 406 TYR OH : rot 180:sc= 0 USER MOD Single : A 407 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 410 GLN : amide:sc= 0 X(o=0,f=-0.046) USER MOD Single : A 415 GLN : amide:sc= 0 X(o=0,f=-0.031) USER MOD Single : A 419 GLN : amide:sc= 0 X(o=0,f=-0.44) USER MOD Single : A 420 MET CE :methyl 164:sc= 0 (180deg=-0.636) USER MOD Single : A 422 MET CE :methyl -170:sc= -0.108 (180deg=-0.19) USER MOD Single : A 426 ASN : amide:sc= -0.117 X(o=-0.12,f=0) USER MOD Single : A 429 SER OG : rot 110:sc= 0 USER MOD Single : A 442 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 443 CYS SG : rot -79:sc= 0.0872 USER MOD Single : A 448 SER OG : rot -155:sc= 0.399 USER MOD Single : A 449 TYR OH : rot -156:sc= 1.04 USER MOD Single : A 451 ASN : amide:sc= -0.128 X(o=-0.13,f=-0.13) USER MOD Single : A 454 SER OG : rot 180:sc= 0 USER MOD Single : A 456 GLN : amide:sc= -0.012 X(o=-0.012,f=-0.44) USER MOD Single : A 460 GLN : amide:sc= 0.306 X(o=0.31,f=0) USER MOD Single : A 461 SER OG : rot 88:sc= 1.08 USER MOD Single : A 462 MET CE :methyl -161:sc= -0.0406 (180deg=-0.679) USER MOD Single : A 463 ASN : amide:sc= 0.825 K(o=0.83,f=-6.9!) USER MOD Single : A 466 GLN : amide:sc= 0 X(o=0,f=-0.19) USER MOD Single : A 473 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 475 GLN : amide:sc= 0.522 K(o=0.52,f=-0.057) USER MOD Single : A 477 LYS NZ :NH3+ -145:sc= 1.18 (180deg=0.735) USER MOD ----------------------------------------------------------------- ATOM 182 N ALA A 391 -10.174 1.552 -2.771 1.00 0.00 N ATOM 183 CA ALA A 391 -10.043 0.360 -1.928 1.00 0.00 C ATOM 184 C ALA A 391 -10.249 -0.922 -2.758 1.00 0.00 C ATOM 185 O ALA A 391 -11.333 -1.160 -3.297 1.00 0.00 O ATOM 186 CB ALA A 391 -11.031 0.456 -0.758 1.00 0.00 C ATOM 0 HA ALA A 391 -9.034 0.309 -1.519 1.00 0.00 H new ATOM 0 HB1 ALA A 391 -10.937 -0.429 -0.129 1.00 0.00 H new ATOM 0 HB2 ALA A 391 -10.811 1.346 -0.168 1.00 0.00 H new ATOM 0 HB3 ALA A 391 -12.048 0.519 -1.145 1.00 0.00 H new ATOM 192 N GLY A 392 -9.190 -1.728 -2.876 1.00 0.00 N ATOM 193 CA GLY A 392 -9.156 -2.976 -3.650 1.00 0.00 C ATOM 194 C GLY A 392 -8.792 -2.773 -5.122 1.00 0.00 C ATOM 195 O GLY A 392 -8.706 -3.752 -5.864 1.00 0.00 O ATOM 0 H GLY A 392 -8.301 -1.524 -2.420 1.00 0.00 H new ATOM 0 HA2 GLY A 392 -8.435 -3.656 -3.196 1.00 0.00 H new ATOM 0 HA3 GLY A 392 -10.131 -3.459 -3.589 1.00 0.00 H new ATOM 199 N SER A 393 -8.549 -1.533 -5.548 1.00 0.00 N ATOM 200 CA SER A 393 -8.137 -1.198 -6.916 1.00 0.00 C ATOM 201 C SER A 393 -6.614 -1.001 -7.025 1.00 0.00 C ATOM 202 O SER A 393 -5.895 -0.960 -6.020 1.00 0.00 O ATOM 203 CB SER A 393 -8.915 0.029 -7.416 1.00 0.00 C ATOM 204 OG SER A 393 -8.855 0.088 -8.836 1.00 0.00 O ATOM 0 H SER A 393 -8.634 -0.717 -4.942 1.00 0.00 H new ATOM 0 HA SER A 393 -8.381 -2.041 -7.563 1.00 0.00 H new ATOM 0 HB2 SER A 393 -9.953 -0.028 -7.088 1.00 0.00 H new ATOM 0 HB3 SER A 393 -8.495 0.938 -6.986 1.00 0.00 H new ATOM 0 HG SER A 393 -9.353 0.870 -9.152 1.00 0.00 H new ATOM 210 N GLN A 394 -6.105 -0.886 -8.253 1.00 0.00 N ATOM 211 CA GLN A 394 -4.671 -0.831 -8.574 1.00 0.00 C ATOM 212 C GLN A 394 -4.360 0.321 -9.546 1.00 0.00 C ATOM 213 O GLN A 394 -3.451 0.239 -10.376 1.00 0.00 O ATOM 214 CB GLN A 394 -4.199 -2.218 -9.062 1.00 0.00 C ATOM 215 CG GLN A 394 -4.140 -3.234 -7.907 1.00 0.00 C ATOM 216 CD GLN A 394 -3.815 -4.654 -8.363 1.00 0.00 C ATOM 217 OE1 GLN A 394 -4.626 -5.564 -8.237 1.00 0.00 O ATOM 218 NE2 GLN A 394 -2.634 -4.914 -8.887 1.00 0.00 N ATOM 0 H GLN A 394 -6.697 -0.826 -9.082 1.00 0.00 H new ATOM 0 HA GLN A 394 -4.096 -0.601 -7.677 1.00 0.00 H new ATOM 0 HB2 GLN A 394 -4.876 -2.583 -9.834 1.00 0.00 H new ATOM 0 HB3 GLN A 394 -3.214 -2.128 -9.519 1.00 0.00 H new ATOM 0 HG2 GLN A 394 -3.388 -2.911 -7.187 1.00 0.00 H new ATOM 0 HG3 GLN A 394 -5.098 -3.238 -7.387 1.00 0.00 H new ATOM 0 HE21 GLN A 394 -1.949 -4.166 -8.998 1.00 0.00 H new ATOM 0 HE22 GLN A 394 -2.405 -5.863 -9.182 1.00 0.00 H new ATOM 227 N LYS A 395 -5.118 1.420 -9.445 1.00 0.00 N ATOM 228 CA LYS A 395 -4.799 2.683 -10.121 1.00 0.00 C ATOM 229 C LYS A 395 -3.526 3.306 -9.518 1.00 0.00 C ATOM 230 O LYS A 395 -3.146 2.986 -8.385 1.00 0.00 O ATOM 231 CB LYS A 395 -5.940 3.695 -9.939 1.00 0.00 C ATOM 232 CG LYS A 395 -7.370 3.174 -10.144 1.00 0.00 C ATOM 233 CD LYS A 395 -8.408 4.309 -10.089 1.00 0.00 C ATOM 234 CE LYS A 395 -8.080 5.336 -8.994 1.00 0.00 C ATOM 235 NZ LYS A 395 -9.232 6.222 -8.693 1.00 0.00 N ATOM 0 H LYS A 395 -5.973 1.458 -8.890 1.00 0.00 H new ATOM 0 HA LYS A 395 -4.653 2.462 -11.178 1.00 0.00 H new ATOM 0 HB2 LYS A 395 -5.870 4.107 -8.932 1.00 0.00 H new ATOM 0 HB3 LYS A 395 -5.776 4.519 -10.633 1.00 0.00 H new ATOM 0 HG2 LYS A 395 -7.437 2.667 -11.107 1.00 0.00 H new ATOM 0 HG3 LYS A 395 -7.600 2.434 -9.377 1.00 0.00 H new ATOM 0 HD2 LYS A 395 -8.449 4.810 -11.056 1.00 0.00 H new ATOM 0 HD3 LYS A 395 -9.397 3.888 -9.907 1.00 0.00 H new ATOM 0 HE2 LYS A 395 -7.779 4.813 -8.086 1.00 0.00 H new ATOM 0 HE3 LYS A 395 -7.231 5.942 -9.309 1.00 0.00 H new ATOM 0 HZ1 LYS A 395 -8.965 6.898 -7.949 1.00 0.00 H new ATOM 0 HZ2 LYS A 395 -9.504 6.742 -9.552 1.00 0.00 H new ATOM 0 HZ3 LYS A 395 -10.035 5.648 -8.367 1.00 0.00 H new ATOM 249 N GLU A 396 -2.917 4.278 -10.198 1.00 0.00 N ATOM 250 CA GLU A 396 -1.767 4.989 -9.638 1.00 0.00 C ATOM 251 C GLU A 396 -1.530 6.394 -10.208 1.00 0.00 C ATOM 252 O GLU A 396 -2.052 6.753 -11.267 1.00 0.00 O ATOM 253 CB GLU A 396 -0.507 4.098 -9.726 1.00 0.00 C ATOM 254 CG GLU A 396 0.033 3.925 -11.152 1.00 0.00 C ATOM 255 CD GLU A 396 1.153 2.876 -11.225 1.00 0.00 C ATOM 256 OE1 GLU A 396 2.056 2.861 -10.357 1.00 0.00 O ATOM 257 OE2 GLU A 396 1.165 2.063 -12.178 1.00 0.00 O ATOM 0 H GLU A 396 -3.197 4.589 -11.128 1.00 0.00 H new ATOM 0 HA GLU A 396 -2.004 5.178 -8.591 1.00 0.00 H new ATOM 0 HB2 GLU A 396 0.275 4.529 -9.101 1.00 0.00 H new ATOM 0 HB3 GLU A 396 -0.739 3.116 -9.314 1.00 0.00 H new ATOM 0 HG2 GLU A 396 -0.782 3.631 -11.814 1.00 0.00 H new ATOM 0 HG3 GLU A 396 0.409 4.882 -11.515 1.00 0.00 H new ATOM 264 N GLY A 397 -0.752 7.188 -9.463 1.00 0.00 N ATOM 265 CA GLY A 397 -0.433 8.591 -9.742 1.00 0.00 C ATOM 266 C GLY A 397 0.981 8.800 -10.311 1.00 0.00 C ATOM 267 O GLY A 397 1.559 7.856 -10.864 1.00 0.00 O ATOM 0 H GLY A 397 -0.307 6.853 -8.609 1.00 0.00 H new ATOM 0 HA2 GLY A 397 -1.162 8.987 -10.449 1.00 0.00 H new ATOM 0 HA3 GLY A 397 -0.534 9.168 -8.823 1.00 0.00 H new ATOM 271 N PRO A 398 1.536 10.026 -10.209 1.00 0.00 N ATOM 272 CA PRO A 398 2.802 10.406 -10.840 1.00 0.00 C ATOM 273 C PRO A 398 4.023 9.763 -10.163 1.00 0.00 C ATOM 274 O PRO A 398 3.917 9.137 -9.109 1.00 0.00 O ATOM 275 CB PRO A 398 2.833 11.939 -10.781 1.00 0.00 C ATOM 276 CG PRO A 398 2.018 12.265 -9.532 1.00 0.00 C ATOM 277 CD PRO A 398 0.946 11.177 -9.530 1.00 0.00 C ATOM 0 HA PRO A 398 2.858 10.043 -11.866 1.00 0.00 H new ATOM 0 HB2 PRO A 398 3.853 12.317 -10.705 1.00 0.00 H new ATOM 0 HB3 PRO A 398 2.394 12.384 -11.674 1.00 0.00 H new ATOM 0 HG2 PRO A 398 2.630 12.231 -8.630 1.00 0.00 H new ATOM 0 HG3 PRO A 398 1.581 13.262 -9.584 1.00 0.00 H new ATOM 0 HD2 PRO A 398 0.653 10.921 -8.512 1.00 0.00 H new ATOM 0 HD3 PRO A 398 0.047 11.515 -10.045 1.00 0.00 H new ATOM 285 N GLU A 399 5.199 9.926 -10.778 1.00 0.00 N ATOM 286 CA GLU A 399 6.469 9.386 -10.278 1.00 0.00 C ATOM 287 C GLU A 399 6.788 9.916 -8.867 1.00 0.00 C ATOM 288 O GLU A 399 6.840 11.126 -8.636 1.00 0.00 O ATOM 289 CB GLU A 399 7.592 9.715 -11.278 1.00 0.00 C ATOM 290 CG GLU A 399 8.920 9.038 -10.914 1.00 0.00 C ATOM 291 CD GLU A 399 9.990 9.319 -11.979 1.00 0.00 C ATOM 292 OE1 GLU A 399 10.716 10.336 -11.863 1.00 0.00 O ATOM 293 OE2 GLU A 399 10.118 8.524 -12.940 1.00 0.00 O ATOM 0 H GLU A 399 5.297 10.445 -11.651 1.00 0.00 H new ATOM 0 HA GLU A 399 6.385 8.303 -10.191 1.00 0.00 H new ATOM 0 HB2 GLU A 399 7.289 9.400 -12.276 1.00 0.00 H new ATOM 0 HB3 GLU A 399 7.736 10.795 -11.315 1.00 0.00 H new ATOM 0 HG2 GLU A 399 9.263 9.399 -9.944 1.00 0.00 H new ATOM 0 HG3 GLU A 399 8.770 7.963 -10.819 1.00 0.00 H new ATOM 300 N GLY A 400 6.984 8.994 -7.916 1.00 0.00 N ATOM 301 CA GLY A 400 7.224 9.291 -6.496 1.00 0.00 C ATOM 302 C GLY A 400 5.958 9.338 -5.631 1.00 0.00 C ATOM 303 O GLY A 400 6.071 9.487 -4.416 1.00 0.00 O ATOM 0 H GLY A 400 6.980 7.994 -8.117 1.00 0.00 H new ATOM 0 HA2 GLY A 400 7.898 8.537 -6.090 1.00 0.00 H new ATOM 0 HA3 GLY A 400 7.736 10.250 -6.420 1.00 0.00 H new ATOM 307 N ALA A 401 4.765 9.190 -6.221 1.00 0.00 N ATOM 308 CA ALA A 401 3.479 9.186 -5.508 1.00 0.00 C ATOM 309 C ALA A 401 2.948 7.779 -5.161 1.00 0.00 C ATOM 310 O ALA A 401 1.862 7.657 -4.594 1.00 0.00 O ATOM 311 CB ALA A 401 2.465 9.982 -6.337 1.00 0.00 C ATOM 0 H ALA A 401 4.664 9.067 -7.228 1.00 0.00 H new ATOM 0 HA ALA A 401 3.638 9.658 -4.538 1.00 0.00 H new ATOM 0 HB1 ALA A 401 1.503 9.991 -5.824 1.00 0.00 H new ATOM 0 HB2 ALA A 401 2.820 11.005 -6.461 1.00 0.00 H new ATOM 0 HB3 ALA A 401 2.350 9.517 -7.316 1.00 0.00 H new ATOM 317 N ASN A 402 3.691 6.720 -5.500 1.00 0.00 N ATOM 318 CA ASN A 402 3.228 5.327 -5.445 1.00 0.00 C ATOM 319 C ASN A 402 4.077 4.505 -4.458 1.00 0.00 C ATOM 320 O ASN A 402 5.306 4.462 -4.566 1.00 0.00 O ATOM 321 CB ASN A 402 3.236 4.760 -6.875 1.00 0.00 C ATOM 322 CG ASN A 402 2.472 5.664 -7.848 1.00 0.00 C ATOM 323 OD1 ASN A 402 1.382 6.148 -7.562 1.00 0.00 O ATOM 324 ND2 ASN A 402 3.038 5.956 -9.004 1.00 0.00 N ATOM 0 H ASN A 402 4.653 6.808 -5.828 1.00 0.00 H new ATOM 0 HA ASN A 402 2.208 5.273 -5.064 1.00 0.00 H new ATOM 0 HB2 ASN A 402 4.265 4.647 -7.216 1.00 0.00 H new ATOM 0 HB3 ASN A 402 2.789 3.766 -6.875 1.00 0.00 H new ATOM 0 HD21 ASN A 402 2.569 6.583 -9.658 1.00 0.00 H new ATOM 0 HD22 ASN A 402 3.944 5.555 -9.244 1.00 0.00 H new ATOM 331 N LEU A 403 3.412 3.875 -3.482 1.00 0.00 N ATOM 332 CA LEU A 403 3.990 3.241 -2.293 1.00 0.00 C ATOM 333 C LEU A 403 3.609 1.762 -2.156 1.00 0.00 C ATOM 334 O LEU A 403 2.472 1.375 -2.433 1.00 0.00 O ATOM 335 CB LEU A 403 3.472 3.940 -1.014 1.00 0.00 C ATOM 336 CG LEU A 403 3.492 5.477 -0.957 1.00 0.00 C ATOM 337 CD1 LEU A 403 3.081 5.924 0.451 1.00 0.00 C ATOM 338 CD2 LEU A 403 4.871 6.035 -1.302 1.00 0.00 C ATOM 0 H LEU A 403 2.396 3.790 -3.503 1.00 0.00 H new ATOM 0 HA LEU A 403 5.070 3.330 -2.409 1.00 0.00 H new ATOM 0 HB2 LEU A 403 2.444 3.616 -0.853 1.00 0.00 H new ATOM 0 HB3 LEU A 403 4.059 3.570 -0.173 1.00 0.00 H new ATOM 0 HG LEU A 403 2.790 5.863 -1.696 1.00 0.00 H new ATOM 0 HD11 LEU A 403 3.091 7.013 0.505 1.00 0.00 H new ATOM 0 HD12 LEU A 403 2.077 5.559 0.670 1.00 0.00 H new ATOM 0 HD13 LEU A 403 3.782 5.518 1.181 1.00 0.00 H new ATOM 0 HD21 LEU A 403 4.846 7.124 -1.251 1.00 0.00 H new ATOM 0 HD22 LEU A 403 5.605 5.655 -0.592 1.00 0.00 H new ATOM 0 HD23 LEU A 403 5.147 5.725 -2.310 1.00 0.00 H new ATOM 350 N PHE A 404 4.537 0.978 -1.605 1.00 0.00 N ATOM 351 CA PHE A 404 4.333 -0.396 -1.151 1.00 0.00 C ATOM 352 C PHE A 404 4.576 -0.466 0.362 1.00 0.00 C ATOM 353 O PHE A 404 5.521 0.124 0.888 1.00 0.00 O ATOM 354 CB PHE A 404 5.243 -1.360 -1.920 1.00 0.00 C ATOM 355 CG PHE A 404 4.764 -1.667 -3.326 1.00 0.00 C ATOM 356 CD1 PHE A 404 4.937 -0.723 -4.355 1.00 0.00 C ATOM 357 CD2 PHE A 404 4.122 -2.890 -3.604 1.00 0.00 C ATOM 358 CE1 PHE A 404 4.478 -1.002 -5.654 1.00 0.00 C ATOM 359 CE2 PHE A 404 3.669 -3.171 -4.904 1.00 0.00 C ATOM 360 CZ PHE A 404 3.849 -2.229 -5.932 1.00 0.00 C ATOM 0 H PHE A 404 5.494 1.299 -1.457 1.00 0.00 H new ATOM 0 HA PHE A 404 3.306 -0.702 -1.351 1.00 0.00 H new ATOM 0 HB2 PHE A 404 6.245 -0.934 -1.973 1.00 0.00 H new ATOM 0 HB3 PHE A 404 5.322 -2.293 -1.362 1.00 0.00 H new ATOM 0 HD1 PHE A 404 5.424 0.218 -4.146 1.00 0.00 H new ATOM 0 HD2 PHE A 404 3.978 -3.614 -2.815 1.00 0.00 H new ATOM 0 HE1 PHE A 404 4.609 -0.273 -6.440 1.00 0.00 H new ATOM 0 HE2 PHE A 404 3.182 -4.112 -5.114 1.00 0.00 H new ATOM 0 HZ PHE A 404 3.505 -2.447 -6.932 1.00 0.00 H new ATOM 370 N ILE A 405 3.675 -1.158 1.060 1.00 0.00 N ATOM 371 CA ILE A 405 3.579 -1.227 2.524 1.00 0.00 C ATOM 372 C ILE A 405 3.748 -2.694 2.937 1.00 0.00 C ATOM 373 O ILE A 405 3.167 -3.580 2.313 1.00 0.00 O ATOM 374 CB ILE A 405 2.216 -0.662 3.014 1.00 0.00 C ATOM 375 CG1 ILE A 405 1.948 0.838 2.738 1.00 0.00 C ATOM 376 CG2 ILE A 405 2.099 -0.831 4.542 1.00 0.00 C ATOM 377 CD1 ILE A 405 1.824 1.291 1.281 1.00 0.00 C ATOM 0 H ILE A 405 2.955 -1.715 0.599 1.00 0.00 H new ATOM 0 HA ILE A 405 4.359 -0.619 2.983 1.00 0.00 H new ATOM 0 HB ILE A 405 1.490 -1.235 2.438 1.00 0.00 H new ATOM 0 HG12 ILE A 405 1.027 1.113 3.252 1.00 0.00 H new ATOM 0 HG13 ILE A 405 2.753 1.411 3.198 1.00 0.00 H new ATOM 0 HG21 ILE A 405 1.142 -0.433 4.880 1.00 0.00 H new ATOM 0 HG22 ILE A 405 2.163 -1.889 4.797 1.00 0.00 H new ATOM 0 HG23 ILE A 405 2.909 -0.290 5.031 1.00 0.00 H new ATOM 0 HD11 ILE A 405 1.637 2.364 1.248 1.00 0.00 H new ATOM 0 HD12 ILE A 405 2.749 1.067 0.750 1.00 0.00 H new ATOM 0 HD13 ILE A 405 0.997 0.764 0.805 1.00 0.00 H new ATOM 389 N TYR A 406 4.516 -2.952 3.994 1.00 0.00 N ATOM 390 CA TYR A 406 4.874 -4.294 4.471 1.00 0.00 C ATOM 391 C TYR A 406 4.740 -4.434 6.000 1.00 0.00 C ATOM 392 O TYR A 406 4.709 -3.447 6.738 1.00 0.00 O ATOM 393 CB TYR A 406 6.309 -4.636 4.032 1.00 0.00 C ATOM 394 CG TYR A 406 6.647 -4.371 2.574 1.00 0.00 C ATOM 395 CD1 TYR A 406 6.445 -5.375 1.607 1.00 0.00 C ATOM 396 CD2 TYR A 406 7.192 -3.129 2.192 1.00 0.00 C ATOM 397 CE1 TYR A 406 6.789 -5.143 0.262 1.00 0.00 C ATOM 398 CE2 TYR A 406 7.534 -2.888 0.848 1.00 0.00 C ATOM 399 CZ TYR A 406 7.341 -3.898 -0.121 1.00 0.00 C ATOM 400 OH TYR A 406 7.696 -3.671 -1.418 1.00 0.00 O ATOM 0 H TYR A 406 4.922 -2.210 4.564 1.00 0.00 H new ATOM 0 HA TYR A 406 4.170 -4.997 4.024 1.00 0.00 H new ATOM 0 HB2 TYR A 406 7.002 -4.068 4.653 1.00 0.00 H new ATOM 0 HB3 TYR A 406 6.488 -5.691 4.239 1.00 0.00 H new ATOM 0 HD1 TYR A 406 6.025 -6.326 1.899 1.00 0.00 H new ATOM 0 HD2 TYR A 406 7.348 -2.359 2.933 1.00 0.00 H new ATOM 0 HE1 TYR A 406 6.632 -5.915 -0.477 1.00 0.00 H new ATOM 0 HE2 TYR A 406 7.944 -1.932 0.558 1.00 0.00 H new ATOM 0 HH TYR A 406 8.057 -2.764 -1.504 1.00 0.00 H new ATOM 410 N HIS A 407 4.665 -5.685 6.466 1.00 0.00 N ATOM 411 CA HIS A 407 4.493 -6.110 7.865 1.00 0.00 C ATOM 412 C HIS A 407 3.111 -5.751 8.465 1.00 0.00 C ATOM 413 O HIS A 407 2.974 -5.597 9.678 1.00 0.00 O ATOM 414 CB HIS A 407 5.698 -5.670 8.719 1.00 0.00 C ATOM 415 CG HIS A 407 7.007 -6.201 8.205 1.00 0.00 C ATOM 416 ND1 HIS A 407 7.449 -7.519 8.335 1.00 0.00 N ATOM 417 CD2 HIS A 407 7.926 -5.491 7.491 1.00 0.00 C ATOM 418 CE1 HIS A 407 8.630 -7.566 7.695 1.00 0.00 C ATOM 419 NE2 HIS A 407 8.942 -6.365 7.176 1.00 0.00 N ATOM 0 H HIS A 407 4.727 -6.484 5.835 1.00 0.00 H new ATOM 0 HA HIS A 407 4.484 -7.200 7.877 1.00 0.00 H new ATOM 0 HB2 HIS A 407 5.739 -4.581 8.746 1.00 0.00 H new ATOM 0 HB3 HIS A 407 5.552 -6.009 9.745 1.00 0.00 H new ATOM 0 HD2 HIS A 407 7.868 -4.446 7.224 1.00 0.00 H new ATOM 0 HE1 HIS A 407 9.246 -8.449 7.609 1.00 0.00 H new ATOM 0 HE2 HIS A 407 9.783 -6.141 6.643 1.00 0.00 H new ATOM 427 N LEU A 408 2.073 -5.645 7.623 1.00 0.00 N ATOM 428 CA LEU A 408 0.681 -5.370 8.026 1.00 0.00 C ATOM 429 C LEU A 408 0.086 -6.515 8.877 1.00 0.00 C ATOM 430 O LEU A 408 0.570 -7.649 8.791 1.00 0.00 O ATOM 431 CB LEU A 408 -0.186 -5.133 6.765 1.00 0.00 C ATOM 432 CG LEU A 408 0.100 -3.820 6.010 1.00 0.00 C ATOM 433 CD1 LEU A 408 -0.547 -3.870 4.618 1.00 0.00 C ATOM 434 CD2 LEU A 408 -0.448 -2.603 6.771 1.00 0.00 C ATOM 0 H LEU A 408 2.179 -5.751 6.614 1.00 0.00 H new ATOM 0 HA LEU A 408 0.682 -4.474 8.647 1.00 0.00 H new ATOM 0 HB2 LEU A 408 -0.038 -5.967 6.080 1.00 0.00 H new ATOM 0 HB3 LEU A 408 -1.236 -5.144 7.058 1.00 0.00 H new ATOM 0 HG LEU A 408 1.181 -3.716 5.922 1.00 0.00 H new ATOM 0 HD11 LEU A 408 -0.342 -2.940 4.088 1.00 0.00 H new ATOM 0 HD12 LEU A 408 -0.134 -4.707 4.055 1.00 0.00 H new ATOM 0 HD13 LEU A 408 -1.624 -3.999 4.722 1.00 0.00 H new ATOM 0 HD21 LEU A 408 -0.229 -1.694 6.210 1.00 0.00 H new ATOM 0 HD22 LEU A 408 -1.527 -2.704 6.891 1.00 0.00 H new ATOM 0 HD23 LEU A 408 0.022 -2.546 7.753 1.00 0.00 H new ATOM 446 N PRO A 409 -0.959 -6.258 9.687 1.00 0.00 N ATOM 447 CA PRO A 409 -1.733 -7.311 10.349 1.00 0.00 C ATOM 448 C PRO A 409 -2.370 -8.267 9.327 1.00 0.00 C ATOM 449 O PRO A 409 -2.763 -7.847 8.239 1.00 0.00 O ATOM 450 CB PRO A 409 -2.796 -6.585 11.187 1.00 0.00 C ATOM 451 CG PRO A 409 -2.214 -5.187 11.389 1.00 0.00 C ATOM 452 CD PRO A 409 -1.432 -4.944 10.103 1.00 0.00 C ATOM 0 HA PRO A 409 -1.098 -7.937 10.976 1.00 0.00 H new ATOM 0 HB2 PRO A 409 -3.755 -6.548 10.670 1.00 0.00 H new ATOM 0 HB3 PRO A 409 -2.966 -7.088 12.139 1.00 0.00 H new ATOM 0 HG2 PRO A 409 -2.997 -4.442 11.531 1.00 0.00 H new ATOM 0 HG3 PRO A 409 -1.569 -5.143 12.267 1.00 0.00 H new ATOM 0 HD2 PRO A 409 -2.064 -4.493 9.338 1.00 0.00 H new ATOM 0 HD3 PRO A 409 -0.599 -4.261 10.272 1.00 0.00 H new ATOM 460 N GLN A 410 -2.513 -9.551 9.681 1.00 0.00 N ATOM 461 CA GLN A 410 -3.091 -10.583 8.796 1.00 0.00 C ATOM 462 C GLN A 410 -4.605 -10.427 8.543 1.00 0.00 C ATOM 463 O GLN A 410 -5.177 -11.128 7.707 1.00 0.00 O ATOM 464 CB GLN A 410 -2.767 -11.979 9.352 1.00 0.00 C ATOM 465 CG GLN A 410 -3.491 -12.332 10.666 1.00 0.00 C ATOM 466 CD GLN A 410 -3.181 -13.755 11.147 1.00 0.00 C ATOM 467 OE1 GLN A 410 -2.051 -14.228 11.121 1.00 0.00 O ATOM 468 NE2 GLN A 410 -4.167 -14.497 11.613 1.00 0.00 N ATOM 0 H GLN A 410 -2.231 -9.910 10.593 1.00 0.00 H new ATOM 0 HA GLN A 410 -2.626 -10.450 7.819 1.00 0.00 H new ATOM 0 HB2 GLN A 410 -3.025 -12.724 8.599 1.00 0.00 H new ATOM 0 HB3 GLN A 410 -1.692 -12.050 9.515 1.00 0.00 H new ATOM 0 HG2 GLN A 410 -3.201 -11.620 11.439 1.00 0.00 H new ATOM 0 HG3 GLN A 410 -4.567 -12.227 10.523 1.00 0.00 H new ATOM 0 HE21 GLN A 410 -5.116 -14.124 11.644 1.00 0.00 H new ATOM 0 HE22 GLN A 410 -3.981 -15.444 11.942 1.00 0.00 H new ATOM 477 N GLU A 411 -5.245 -9.509 9.267 1.00 0.00 N ATOM 478 CA GLU A 411 -6.676 -9.184 9.199 1.00 0.00 C ATOM 479 C GLU A 411 -6.982 -7.810 8.570 1.00 0.00 C ATOM 480 O GLU A 411 -8.146 -7.479 8.330 1.00 0.00 O ATOM 481 CB GLU A 411 -7.266 -9.275 10.614 1.00 0.00 C ATOM 482 CG GLU A 411 -6.726 -8.229 11.602 1.00 0.00 C ATOM 483 CD GLU A 411 -7.346 -8.428 12.993 1.00 0.00 C ATOM 484 OE1 GLU A 411 -8.415 -7.835 13.276 1.00 0.00 O ATOM 485 OE2 GLU A 411 -6.766 -9.175 13.816 1.00 0.00 O ATOM 0 H GLU A 411 -4.755 -8.939 9.956 1.00 0.00 H new ATOM 0 HA GLU A 411 -7.142 -9.911 8.533 1.00 0.00 H new ATOM 0 HB2 GLU A 411 -8.349 -9.169 10.549 1.00 0.00 H new ATOM 0 HB3 GLU A 411 -7.066 -10.269 11.013 1.00 0.00 H new ATOM 0 HG2 GLU A 411 -5.641 -8.308 11.667 1.00 0.00 H new ATOM 0 HG3 GLU A 411 -6.951 -7.227 11.238 1.00 0.00 H new ATOM 492 N PHE A 412 -5.946 -7.005 8.314 1.00 0.00 N ATOM 493 CA PHE A 412 -6.053 -5.660 7.735 1.00 0.00 C ATOM 494 C PHE A 412 -6.516 -5.731 6.272 1.00 0.00 C ATOM 495 O PHE A 412 -5.884 -6.410 5.460 1.00 0.00 O ATOM 496 CB PHE A 412 -4.697 -4.933 7.864 1.00 0.00 C ATOM 497 CG PHE A 412 -4.790 -3.540 8.451 1.00 0.00 C ATOM 498 CD1 PHE A 412 -5.199 -3.381 9.788 1.00 0.00 C ATOM 499 CD2 PHE A 412 -4.451 -2.408 7.685 1.00 0.00 C ATOM 500 CE1 PHE A 412 -5.287 -2.098 10.354 1.00 0.00 C ATOM 501 CE2 PHE A 412 -4.532 -1.124 8.254 1.00 0.00 C ATOM 502 CZ PHE A 412 -4.962 -0.969 9.584 1.00 0.00 C ATOM 0 H PHE A 412 -4.983 -7.278 8.509 1.00 0.00 H new ATOM 0 HA PHE A 412 -6.804 -5.092 8.284 1.00 0.00 H new ATOM 0 HB2 PHE A 412 -4.034 -5.533 8.487 1.00 0.00 H new ATOM 0 HB3 PHE A 412 -4.237 -4.869 6.878 1.00 0.00 H new ATOM 0 HD1 PHE A 412 -5.446 -4.249 10.382 1.00 0.00 H new ATOM 0 HD2 PHE A 412 -4.129 -2.526 6.661 1.00 0.00 H new ATOM 0 HE1 PHE A 412 -5.604 -1.980 11.380 1.00 0.00 H new ATOM 0 HE2 PHE A 412 -4.264 -0.257 7.669 1.00 0.00 H new ATOM 0 HZ PHE A 412 -5.042 0.019 10.014 1.00 0.00 H new ATOM 512 N GLY A 413 -7.609 -5.045 5.931 1.00 0.00 N ATOM 513 CA GLY A 413 -8.186 -5.019 4.583 1.00 0.00 C ATOM 514 C GLY A 413 -7.892 -3.740 3.805 1.00 0.00 C ATOM 515 O GLY A 413 -7.189 -2.840 4.263 1.00 0.00 O ATOM 0 H GLY A 413 -8.131 -4.478 6.600 1.00 0.00 H new ATOM 0 HA2 GLY A 413 -7.804 -5.870 4.019 1.00 0.00 H new ATOM 0 HA3 GLY A 413 -9.266 -5.145 4.659 1.00 0.00 H new ATOM 519 N ASP A 414 -8.468 -3.655 2.607 1.00 0.00 N ATOM 520 CA ASP A 414 -8.223 -2.562 1.658 1.00 0.00 C ATOM 521 C ASP A 414 -8.746 -1.208 2.162 1.00 0.00 C ATOM 522 O ASP A 414 -8.109 -0.175 1.955 1.00 0.00 O ATOM 523 CB ASP A 414 -8.884 -2.893 0.315 1.00 0.00 C ATOM 524 CG ASP A 414 -8.519 -4.285 -0.215 1.00 0.00 C ATOM 525 OD1 ASP A 414 -7.314 -4.527 -0.448 1.00 0.00 O ATOM 526 OD2 ASP A 414 -9.435 -5.124 -0.377 1.00 0.00 O ATOM 0 H ASP A 414 -9.128 -4.351 2.260 1.00 0.00 H new ATOM 0 HA ASP A 414 -7.143 -2.471 1.545 1.00 0.00 H new ATOM 0 HB2 ASP A 414 -9.966 -2.826 0.425 1.00 0.00 H new ATOM 0 HB3 ASP A 414 -8.591 -2.144 -0.420 1.00 0.00 H new ATOM 531 N GLN A 415 -9.887 -1.221 2.859 1.00 0.00 N ATOM 532 CA GLN A 415 -10.478 -0.033 3.477 1.00 0.00 C ATOM 533 C GLN A 415 -9.744 0.363 4.767 1.00 0.00 C ATOM 534 O GLN A 415 -9.682 1.548 5.089 1.00 0.00 O ATOM 535 CB GLN A 415 -11.972 -0.269 3.759 1.00 0.00 C ATOM 536 CG GLN A 415 -12.801 -0.429 2.471 1.00 0.00 C ATOM 537 CD GLN A 415 -14.300 -0.589 2.747 1.00 0.00 C ATOM 538 OE1 GLN A 415 -14.733 -1.299 3.649 1.00 0.00 O ATOM 539 NE2 GLN A 415 -15.160 0.060 1.986 1.00 0.00 N ATOM 0 H GLN A 415 -10.432 -2.070 3.011 1.00 0.00 H new ATOM 0 HA GLN A 415 -10.373 0.794 2.775 1.00 0.00 H new ATOM 0 HB2 GLN A 415 -12.085 -1.163 4.373 1.00 0.00 H new ATOM 0 HB3 GLN A 415 -12.365 0.567 4.338 1.00 0.00 H new ATOM 0 HG2 GLN A 415 -12.644 0.441 1.833 1.00 0.00 H new ATOM 0 HG3 GLN A 415 -12.443 -1.298 1.919 1.00 0.00 H new ATOM 0 HE21 GLN A 415 -14.823 0.656 1.230 1.00 0.00 H new ATOM 0 HE22 GLN A 415 -16.162 -0.034 2.154 1.00 0.00 H new ATOM 548 N ASP A 416 -9.135 -0.593 5.478 1.00 0.00 N ATOM 549 CA ASP A 416 -8.310 -0.313 6.658 1.00 0.00 C ATOM 550 C ASP A 416 -6.999 0.378 6.251 1.00 0.00 C ATOM 551 O ASP A 416 -6.608 1.368 6.873 1.00 0.00 O ATOM 552 CB ASP A 416 -8.017 -1.603 7.438 1.00 0.00 C ATOM 553 CG ASP A 416 -9.284 -2.306 7.940 1.00 0.00 C ATOM 554 OD1 ASP A 416 -9.975 -1.750 8.828 1.00 0.00 O ATOM 555 OD2 ASP A 416 -9.564 -3.429 7.460 1.00 0.00 O ATOM 0 H ASP A 416 -9.201 -1.585 5.250 1.00 0.00 H new ATOM 0 HA ASP A 416 -8.868 0.361 7.309 1.00 0.00 H new ATOM 0 HB2 ASP A 416 -7.458 -2.287 6.799 1.00 0.00 H new ATOM 0 HB3 ASP A 416 -7.378 -1.368 8.289 1.00 0.00 H new ATOM 560 N LEU A 417 -6.364 -0.083 5.165 1.00 0.00 N ATOM 561 CA LEU A 417 -5.182 0.564 4.593 1.00 0.00 C ATOM 562 C LEU A 417 -5.516 1.943 4.002 1.00 0.00 C ATOM 563 O LEU A 417 -4.729 2.873 4.162 1.00 0.00 O ATOM 564 CB LEU A 417 -4.538 -0.376 3.557 1.00 0.00 C ATOM 565 CG LEU A 417 -3.120 0.062 3.132 1.00 0.00 C ATOM 566 CD1 LEU A 417 -2.115 -0.070 4.286 1.00 0.00 C ATOM 567 CD2 LEU A 417 -2.643 -0.794 1.953 1.00 0.00 C ATOM 0 H LEU A 417 -6.659 -0.918 4.659 1.00 0.00 H new ATOM 0 HA LEU A 417 -4.459 0.749 5.387 1.00 0.00 H new ATOM 0 HB2 LEU A 417 -4.491 -1.383 3.971 1.00 0.00 H new ATOM 0 HB3 LEU A 417 -5.176 -0.424 2.674 1.00 0.00 H new ATOM 0 HG LEU A 417 -3.173 1.111 2.841 1.00 0.00 H new ATOM 0 HD11 LEU A 417 -1.129 0.248 3.948 1.00 0.00 H new ATOM 0 HD12 LEU A 417 -2.433 0.558 5.119 1.00 0.00 H new ATOM 0 HD13 LEU A 417 -2.070 -1.109 4.612 1.00 0.00 H new ATOM 0 HD21 LEU A 417 -1.642 -0.480 1.657 1.00 0.00 H new ATOM 0 HD22 LEU A 417 -2.622 -1.843 2.250 1.00 0.00 H new ATOM 0 HD23 LEU A 417 -3.326 -0.668 1.113 1.00 0.00 H new ATOM 579 N LEU A 418 -6.696 2.112 3.391 1.00 0.00 N ATOM 580 CA LEU A 418 -7.179 3.416 2.926 1.00 0.00 C ATOM 581 C LEU A 418 -7.352 4.389 4.103 1.00 0.00 C ATOM 582 O LEU A 418 -6.798 5.485 4.074 1.00 0.00 O ATOM 583 CB LEU A 418 -8.487 3.222 2.131 1.00 0.00 C ATOM 584 CG LEU A 418 -9.101 4.521 1.571 1.00 0.00 C ATOM 585 CD1 LEU A 418 -8.182 5.218 0.558 1.00 0.00 C ATOM 586 CD2 LEU A 418 -10.451 4.215 0.912 1.00 0.00 C ATOM 0 H LEU A 418 -7.343 1.346 3.206 1.00 0.00 H new ATOM 0 HA LEU A 418 -6.440 3.863 2.261 1.00 0.00 H new ATOM 0 HB2 LEU A 418 -8.294 2.541 1.302 1.00 0.00 H new ATOM 0 HB3 LEU A 418 -9.220 2.739 2.777 1.00 0.00 H new ATOM 0 HG LEU A 418 -9.236 5.201 2.412 1.00 0.00 H new ATOM 0 HD11 LEU A 418 -8.663 6.127 0.196 1.00 0.00 H new ATOM 0 HD12 LEU A 418 -7.238 5.474 1.039 1.00 0.00 H new ATOM 0 HD13 LEU A 418 -7.992 4.549 -0.281 1.00 0.00 H new ATOM 0 HD21 LEU A 418 -10.881 5.136 0.518 1.00 0.00 H new ATOM 0 HD22 LEU A 418 -10.306 3.505 0.098 1.00 0.00 H new ATOM 0 HD23 LEU A 418 -11.128 3.786 1.651 1.00 0.00 H new ATOM 598 N GLN A 419 -8.069 3.988 5.157 1.00 0.00 N ATOM 599 CA GLN A 419 -8.284 4.817 6.351 1.00 0.00 C ATOM 600 C GLN A 419 -6.979 5.129 7.104 1.00 0.00 C ATOM 601 O GLN A 419 -6.864 6.194 7.714 1.00 0.00 O ATOM 602 CB GLN A 419 -9.296 4.124 7.277 1.00 0.00 C ATOM 603 CG GLN A 419 -10.745 4.200 6.757 1.00 0.00 C ATOM 604 CD GLN A 419 -11.401 5.581 6.868 1.00 0.00 C ATOM 605 OE1 GLN A 419 -10.829 6.560 7.334 1.00 0.00 O ATOM 606 NE2 GLN A 419 -12.638 5.720 6.439 1.00 0.00 N ATOM 0 H GLN A 419 -8.520 3.074 5.208 1.00 0.00 H new ATOM 0 HA GLN A 419 -8.681 5.777 6.021 1.00 0.00 H new ATOM 0 HB2 GLN A 419 -9.014 3.078 7.395 1.00 0.00 H new ATOM 0 HB3 GLN A 419 -9.247 4.581 8.265 1.00 0.00 H new ATOM 0 HG2 GLN A 419 -10.757 3.892 5.712 1.00 0.00 H new ATOM 0 HG3 GLN A 419 -11.351 3.481 7.308 1.00 0.00 H new ATOM 0 HE21 GLN A 419 -13.135 4.920 6.047 1.00 0.00 H new ATOM 0 HE22 GLN A 419 -13.099 6.628 6.498 1.00 0.00 H new ATOM 615 N MET A 420 -5.975 4.250 7.024 1.00 0.00 N ATOM 616 CA MET A 420 -4.639 4.462 7.592 1.00 0.00 C ATOM 617 C MET A 420 -3.805 5.495 6.810 1.00 0.00 C ATOM 618 O MET A 420 -2.982 6.176 7.422 1.00 0.00 O ATOM 619 CB MET A 420 -3.943 3.092 7.693 1.00 0.00 C ATOM 620 CG MET A 420 -2.500 3.147 8.206 1.00 0.00 C ATOM 621 SD MET A 420 -1.690 1.528 8.274 1.00 0.00 S ATOM 622 CE MET A 420 -2.126 1.042 9.958 1.00 0.00 C ATOM 0 H MET A 420 -6.070 3.351 6.552 1.00 0.00 H new ATOM 0 HA MET A 420 -4.738 4.898 8.586 1.00 0.00 H new ATOM 0 HB2 MET A 420 -4.526 2.451 8.354 1.00 0.00 H new ATOM 0 HB3 MET A 420 -3.947 2.623 6.709 1.00 0.00 H new ATOM 0 HG2 MET A 420 -1.919 3.807 7.562 1.00 0.00 H new ATOM 0 HG3 MET A 420 -2.494 3.588 9.203 1.00 0.00 H new ATOM 0 HE1 MET A 420 -1.962 -0.028 10.082 1.00 0.00 H new ATOM 0 HE2 MET A 420 -1.504 1.589 10.667 1.00 0.00 H new ATOM 0 HE3 MET A 420 -3.175 1.272 10.143 1.00 0.00 H new ATOM 632 N PHE A 421 -4.020 5.649 5.495 1.00 0.00 N ATOM 633 CA PHE A 421 -3.187 6.479 4.609 1.00 0.00 C ATOM 634 C PHE A 421 -3.860 7.772 4.101 1.00 0.00 C ATOM 635 O PHE A 421 -3.158 8.719 3.742 1.00 0.00 O ATOM 636 CB PHE A 421 -2.623 5.608 3.470 1.00 0.00 C ATOM 637 CG PHE A 421 -1.379 4.811 3.851 1.00 0.00 C ATOM 638 CD1 PHE A 421 -1.465 3.721 4.739 1.00 0.00 C ATOM 639 CD2 PHE A 421 -0.117 5.173 3.337 1.00 0.00 C ATOM 640 CE1 PHE A 421 -0.304 3.040 5.147 1.00 0.00 C ATOM 641 CE2 PHE A 421 1.046 4.496 3.746 1.00 0.00 C ATOM 642 CZ PHE A 421 0.954 3.440 4.668 1.00 0.00 C ATOM 0 H PHE A 421 -4.791 5.192 5.008 1.00 0.00 H new ATOM 0 HA PHE A 421 -2.363 6.857 5.214 1.00 0.00 H new ATOM 0 HB2 PHE A 421 -3.397 4.916 3.139 1.00 0.00 H new ATOM 0 HB3 PHE A 421 -2.385 6.249 2.621 1.00 0.00 H new ATOM 0 HD1 PHE A 421 -2.429 3.406 5.109 1.00 0.00 H new ATOM 0 HD2 PHE A 421 -0.043 5.979 2.622 1.00 0.00 H new ATOM 0 HE1 PHE A 421 -0.380 2.207 5.830 1.00 0.00 H new ATOM 0 HE2 PHE A 421 2.008 4.788 3.352 1.00 0.00 H new ATOM 0 HZ PHE A 421 1.848 2.938 5.007 1.00 0.00 H new ATOM 652 N MET A 422 -5.191 7.897 4.153 1.00 0.00 N ATOM 653 CA MET A 422 -5.898 9.154 3.866 1.00 0.00 C ATOM 654 C MET A 422 -5.461 10.384 4.702 1.00 0.00 C ATOM 655 O MET A 422 -5.487 11.484 4.141 1.00 0.00 O ATOM 656 CB MET A 422 -7.410 8.927 4.004 1.00 0.00 C ATOM 657 CG MET A 422 -8.001 8.285 2.743 1.00 0.00 C ATOM 658 SD MET A 422 -9.809 8.344 2.605 1.00 0.00 S ATOM 659 CE MET A 422 -10.293 7.466 4.111 1.00 0.00 C ATOM 0 H MET A 422 -5.813 7.126 4.396 1.00 0.00 H new ATOM 0 HA MET A 422 -5.622 9.413 2.844 1.00 0.00 H new ATOM 0 HB2 MET A 422 -7.606 8.287 4.865 1.00 0.00 H new ATOM 0 HB3 MET A 422 -7.906 9.879 4.195 1.00 0.00 H new ATOM 0 HG2 MET A 422 -7.572 8.778 1.871 1.00 0.00 H new ATOM 0 HG3 MET A 422 -7.686 7.242 2.706 1.00 0.00 H new ATOM 0 HE1 MET A 422 -11.363 7.262 4.085 1.00 0.00 H new ATOM 0 HE2 MET A 422 -9.746 6.525 4.176 1.00 0.00 H new ATOM 0 HE3 MET A 422 -10.062 8.081 4.981 1.00 0.00 H new ATOM 669 N PRO A 423 -5.027 10.258 5.978 1.00 0.00 N ATOM 670 CA PRO A 423 -4.530 11.378 6.781 1.00 0.00 C ATOM 671 C PRO A 423 -3.328 12.150 6.205 1.00 0.00 C ATOM 672 O PRO A 423 -3.075 13.267 6.655 1.00 0.00 O ATOM 673 CB PRO A 423 -4.179 10.778 8.146 1.00 0.00 C ATOM 674 CG PRO A 423 -5.164 9.620 8.274 1.00 0.00 C ATOM 675 CD PRO A 423 -5.235 9.102 6.842 1.00 0.00 C ATOM 0 HA PRO A 423 -5.309 12.139 6.817 1.00 0.00 H new ATOM 0 HB2 PRO A 423 -3.145 10.435 8.182 1.00 0.00 H new ATOM 0 HB3 PRO A 423 -4.302 11.504 8.950 1.00 0.00 H new ATOM 0 HG2 PRO A 423 -4.808 8.857 8.966 1.00 0.00 H new ATOM 0 HG3 PRO A 423 -6.137 9.951 8.637 1.00 0.00 H new ATOM 0 HD2 PRO A 423 -4.474 8.342 6.665 1.00 0.00 H new ATOM 0 HD3 PRO A 423 -6.201 8.637 6.644 1.00 0.00 H new ATOM 683 N PHE A 424 -2.602 11.596 5.222 1.00 0.00 N ATOM 684 CA PHE A 424 -1.402 12.220 4.635 1.00 0.00 C ATOM 685 C PHE A 424 -1.666 12.920 3.289 1.00 0.00 C ATOM 686 O PHE A 424 -0.802 13.644 2.789 1.00 0.00 O ATOM 687 CB PHE A 424 -0.296 11.162 4.515 1.00 0.00 C ATOM 688 CG PHE A 424 -0.149 10.303 5.755 1.00 0.00 C ATOM 689 CD1 PHE A 424 0.181 10.891 6.991 1.00 0.00 C ATOM 690 CD2 PHE A 424 -0.442 8.930 5.693 1.00 0.00 C ATOM 691 CE1 PHE A 424 0.201 10.111 8.161 1.00 0.00 C ATOM 692 CE2 PHE A 424 -0.398 8.145 6.857 1.00 0.00 C ATOM 693 CZ PHE A 424 -0.092 8.737 8.094 1.00 0.00 C ATOM 0 H PHE A 424 -2.832 10.693 4.807 1.00 0.00 H new ATOM 0 HA PHE A 424 -1.081 13.017 5.306 1.00 0.00 H new ATOM 0 HB2 PHE A 424 -0.509 10.520 3.660 1.00 0.00 H new ATOM 0 HB3 PHE A 424 0.652 11.660 4.312 1.00 0.00 H new ATOM 0 HD1 PHE A 424 0.419 11.943 7.041 1.00 0.00 H new ATOM 0 HD2 PHE A 424 -0.702 8.477 4.748 1.00 0.00 H new ATOM 0 HE1 PHE A 424 0.441 10.567 9.110 1.00 0.00 H new ATOM 0 HE2 PHE A 424 -0.600 7.085 6.801 1.00 0.00 H new ATOM 0 HZ PHE A 424 -0.082 8.138 8.992 1.00 0.00 H new ATOM 703 N GLY A 425 -2.868 12.745 2.727 1.00 0.00 N ATOM 704 CA GLY A 425 -3.364 13.467 1.547 1.00 0.00 C ATOM 705 C GLY A 425 -4.283 12.648 0.643 1.00 0.00 C ATOM 706 O GLY A 425 -4.827 11.616 1.040 1.00 0.00 O ATOM 0 H GLY A 425 -3.545 12.075 3.092 1.00 0.00 H new ATOM 0 HA2 GLY A 425 -3.900 14.356 1.880 1.00 0.00 H new ATOM 0 HA3 GLY A 425 -2.511 13.810 0.962 1.00 0.00 H new ATOM 710 N ASN A 426 -4.479 13.125 -0.589 1.00 0.00 N ATOM 711 CA ASN A 426 -5.438 12.555 -1.540 1.00 0.00 C ATOM 712 C ASN A 426 -4.961 11.198 -2.100 1.00 0.00 C ATOM 713 O ASN A 426 -4.282 11.141 -3.130 1.00 0.00 O ATOM 714 CB ASN A 426 -5.743 13.585 -2.642 1.00 0.00 C ATOM 715 CG ASN A 426 -6.928 13.159 -3.508 1.00 0.00 C ATOM 716 OD1 ASN A 426 -8.056 13.588 -3.298 1.00 0.00 O ATOM 717 ND2 ASN A 426 -6.719 12.294 -4.484 1.00 0.00 N ATOM 0 H ASN A 426 -3.970 13.928 -0.959 1.00 0.00 H new ATOM 0 HA ASN A 426 -6.369 12.337 -1.017 1.00 0.00 H new ATOM 0 HB2 ASN A 426 -5.956 14.552 -2.186 1.00 0.00 H new ATOM 0 HB3 ASN A 426 -4.862 13.716 -3.271 1.00 0.00 H new ATOM 0 HD21 ASN A 426 -7.498 11.982 -5.064 1.00 0.00 H new ATOM 0 HD22 ASN A 426 -5.779 11.938 -4.657 1.00 0.00 H new ATOM 724 N VAL A 427 -5.340 10.110 -1.427 1.00 0.00 N ATOM 725 CA VAL A 427 -5.125 8.726 -1.881 1.00 0.00 C ATOM 726 C VAL A 427 -5.940 8.463 -3.156 1.00 0.00 C ATOM 727 O VAL A 427 -7.142 8.724 -3.206 1.00 0.00 O ATOM 728 CB VAL A 427 -5.470 7.691 -0.779 1.00 0.00 C ATOM 729 CG1 VAL A 427 -5.377 6.244 -1.291 1.00 0.00 C ATOM 730 CG2 VAL A 427 -4.530 7.824 0.431 1.00 0.00 C ATOM 0 H VAL A 427 -5.818 10.164 -0.527 1.00 0.00 H new ATOM 0 HA VAL A 427 -4.065 8.607 -2.104 1.00 0.00 H new ATOM 0 HB VAL A 427 -6.497 7.906 -0.484 1.00 0.00 H new ATOM 0 HG11 VAL A 427 -5.627 5.556 -0.484 1.00 0.00 H new ATOM 0 HG12 VAL A 427 -6.075 6.105 -2.116 1.00 0.00 H new ATOM 0 HG13 VAL A 427 -4.363 6.045 -1.636 1.00 0.00 H new ATOM 0 HG21 VAL A 427 -4.800 7.084 1.184 1.00 0.00 H new ATOM 0 HG22 VAL A 427 -3.501 7.659 0.112 1.00 0.00 H new ATOM 0 HG23 VAL A 427 -4.622 8.824 0.855 1.00 0.00 H new ATOM 740 N VAL A 428 -5.263 7.940 -4.177 1.00 0.00 N ATOM 741 CA VAL A 428 -5.804 7.547 -5.489 1.00 0.00 C ATOM 742 C VAL A 428 -6.229 6.071 -5.487 1.00 0.00 C ATOM 743 O VAL A 428 -7.256 5.735 -6.071 1.00 0.00 O ATOM 744 CB VAL A 428 -4.757 7.835 -6.597 1.00 0.00 C ATOM 745 CG1 VAL A 428 -5.051 7.161 -7.949 1.00 0.00 C ATOM 746 CG2 VAL A 428 -4.663 9.353 -6.832 1.00 0.00 C ATOM 0 H VAL A 428 -4.260 7.766 -4.112 1.00 0.00 H new ATOM 0 HA VAL A 428 -6.695 8.139 -5.696 1.00 0.00 H new ATOM 0 HB VAL A 428 -3.822 7.413 -6.229 1.00 0.00 H new ATOM 0 HG11 VAL A 428 -4.267 7.418 -8.662 1.00 0.00 H new ATOM 0 HG12 VAL A 428 -5.081 6.079 -7.817 1.00 0.00 H new ATOM 0 HG13 VAL A 428 -6.013 7.508 -8.327 1.00 0.00 H new ATOM 0 HG21 VAL A 428 -3.927 9.556 -7.610 1.00 0.00 H new ATOM 0 HG22 VAL A 428 -5.636 9.734 -7.144 1.00 0.00 H new ATOM 0 HG23 VAL A 428 -4.359 9.846 -5.909 1.00 0.00 H new ATOM 756 N SER A 429 -5.494 5.196 -4.797 1.00 0.00 N ATOM 757 CA SER A 429 -5.778 3.757 -4.704 1.00 0.00 C ATOM 758 C SER A 429 -5.122 3.152 -3.455 1.00 0.00 C ATOM 759 O SER A 429 -4.102 3.667 -2.992 1.00 0.00 O ATOM 760 CB SER A 429 -5.288 3.033 -5.968 1.00 0.00 C ATOM 761 OG SER A 429 -6.181 2.000 -6.349 1.00 0.00 O ATOM 0 H SER A 429 -4.664 5.473 -4.273 1.00 0.00 H new ATOM 0 HA SER A 429 -6.857 3.626 -4.621 1.00 0.00 H new ATOM 0 HB2 SER A 429 -5.187 3.749 -6.784 1.00 0.00 H new ATOM 0 HB3 SER A 429 -4.298 2.613 -5.789 1.00 0.00 H new ATOM 0 HG SER A 429 -6.643 2.255 -7.175 1.00 0.00 H new ATOM 767 N ALA A 430 -5.689 2.067 -2.913 1.00 0.00 N ATOM 768 CA ALA A 430 -5.192 1.380 -1.718 1.00 0.00 C ATOM 769 C ALA A 430 -5.641 -0.090 -1.710 1.00 0.00 C ATOM 770 O ALA A 430 -6.810 -0.390 -1.950 1.00 0.00 O ATOM 771 CB ALA A 430 -5.682 2.121 -0.465 1.00 0.00 C ATOM 0 H ALA A 430 -6.526 1.634 -3.304 1.00 0.00 H new ATOM 0 HA ALA A 430 -4.102 1.386 -1.724 1.00 0.00 H new ATOM 0 HB1 ALA A 430 -5.314 1.612 0.426 1.00 0.00 H new ATOM 0 HB2 ALA A 430 -5.309 3.145 -0.479 1.00 0.00 H new ATOM 0 HB3 ALA A 430 -6.772 2.132 -0.452 1.00 0.00 H new ATOM 777 N LYS A 431 -4.729 -1.021 -1.425 1.00 0.00 N ATOM 778 CA LYS A 431 -4.992 -2.462 -1.530 1.00 0.00 C ATOM 779 C LYS A 431 -4.098 -3.301 -0.609 1.00 0.00 C ATOM 780 O LYS A 431 -2.938 -2.962 -0.391 1.00 0.00 O ATOM 781 CB LYS A 431 -4.838 -2.883 -3.001 1.00 0.00 C ATOM 782 CG LYS A 431 -5.281 -4.336 -3.234 1.00 0.00 C ATOM 783 CD LYS A 431 -5.498 -4.592 -4.721 1.00 0.00 C ATOM 784 CE LYS A 431 -6.153 -5.961 -4.947 1.00 0.00 C ATOM 785 NZ LYS A 431 -6.701 -6.084 -6.323 1.00 0.00 N ATOM 0 H LYS A 431 -3.783 -0.799 -1.114 1.00 0.00 H new ATOM 0 HA LYS A 431 -6.011 -2.652 -1.194 1.00 0.00 H new ATOM 0 HB2 LYS A 431 -5.428 -2.219 -3.632 1.00 0.00 H new ATOM 0 HB3 LYS A 431 -3.797 -2.768 -3.304 1.00 0.00 H new ATOM 0 HG2 LYS A 431 -4.526 -5.020 -2.847 1.00 0.00 H new ATOM 0 HG3 LYS A 431 -6.202 -4.535 -2.686 1.00 0.00 H new ATOM 0 HD2 LYS A 431 -6.128 -3.808 -5.142 1.00 0.00 H new ATOM 0 HD3 LYS A 431 -4.543 -4.549 -5.245 1.00 0.00 H new ATOM 0 HE2 LYS A 431 -5.420 -6.749 -4.775 1.00 0.00 H new ATOM 0 HE3 LYS A 431 -6.953 -6.106 -4.221 1.00 0.00 H new ATOM 0 HZ1 LYS A 431 -7.076 -7.044 -6.463 1.00 0.00 H new ATOM 0 HZ2 LYS A 431 -7.465 -5.391 -6.455 1.00 0.00 H new ATOM 0 HZ3 LYS A 431 -5.946 -5.903 -7.015 1.00 0.00 H new ATOM 799 N VAL A 432 -4.620 -4.424 -0.124 1.00 0.00 N ATOM 800 CA VAL A 432 -3.906 -5.451 0.647 1.00 0.00 C ATOM 801 C VAL A 432 -4.096 -6.791 -0.066 1.00 0.00 C ATOM 802 O VAL A 432 -5.214 -7.142 -0.446 1.00 0.00 O ATOM 803 CB VAL A 432 -4.421 -5.556 2.101 1.00 0.00 C ATOM 804 CG1 VAL A 432 -3.514 -6.512 2.896 1.00 0.00 C ATOM 805 CG2 VAL A 432 -4.459 -4.208 2.839 1.00 0.00 C ATOM 0 H VAL A 432 -5.603 -4.659 -0.262 1.00 0.00 H new ATOM 0 HA VAL A 432 -2.852 -5.177 0.703 1.00 0.00 H new ATOM 0 HB VAL A 432 -5.445 -5.925 2.037 1.00 0.00 H new ATOM 0 HG11 VAL A 432 -3.875 -6.588 3.922 1.00 0.00 H new ATOM 0 HG12 VAL A 432 -3.530 -7.498 2.432 1.00 0.00 H new ATOM 0 HG13 VAL A 432 -2.494 -6.128 2.898 1.00 0.00 H new ATOM 0 HG21 VAL A 432 -4.830 -4.358 3.853 1.00 0.00 H new ATOM 0 HG22 VAL A 432 -3.454 -3.787 2.879 1.00 0.00 H new ATOM 0 HG23 VAL A 432 -5.119 -3.521 2.309 1.00 0.00 H new ATOM 815 N PHE A 433 -3.003 -7.526 -0.277 1.00 0.00 N ATOM 816 CA PHE A 433 -3.008 -8.786 -1.022 1.00 0.00 C ATOM 817 C PHE A 433 -3.394 -9.963 -0.110 1.00 0.00 C ATOM 818 O PHE A 433 -2.990 -10.018 1.052 1.00 0.00 O ATOM 819 CB PHE A 433 -1.654 -8.944 -1.726 1.00 0.00 C ATOM 820 CG PHE A 433 -1.393 -7.823 -2.722 1.00 0.00 C ATOM 821 CD1 PHE A 433 -1.993 -7.855 -3.996 1.00 0.00 C ATOM 822 CD2 PHE A 433 -0.614 -6.708 -2.353 1.00 0.00 C ATOM 823 CE1 PHE A 433 -1.815 -6.784 -4.891 1.00 0.00 C ATOM 824 CE2 PHE A 433 -0.433 -5.638 -3.247 1.00 0.00 C ATOM 825 CZ PHE A 433 -1.035 -5.674 -4.517 1.00 0.00 C ATOM 0 H PHE A 433 -2.080 -7.261 0.068 1.00 0.00 H new ATOM 0 HA PHE A 433 -3.774 -8.777 -1.798 1.00 0.00 H new ATOM 0 HB2 PHE A 433 -0.858 -8.959 -0.981 1.00 0.00 H new ATOM 0 HB3 PHE A 433 -1.625 -9.903 -2.244 1.00 0.00 H new ATOM 0 HD1 PHE A 433 -2.592 -8.705 -4.287 1.00 0.00 H new ATOM 0 HD2 PHE A 433 -0.153 -6.675 -1.377 1.00 0.00 H new ATOM 0 HE1 PHE A 433 -2.278 -6.814 -5.866 1.00 0.00 H new ATOM 0 HE2 PHE A 433 0.168 -4.789 -2.958 1.00 0.00 H new ATOM 0 HZ PHE A 433 -0.899 -4.852 -5.204 1.00 0.00 H new ATOM 963 N LYS A 442 -1.646 -11.139 3.331 1.00 0.00 N ATOM 964 CA LYS A 442 -0.243 -11.578 3.221 1.00 0.00 C ATOM 965 C LYS A 442 0.773 -10.693 3.985 1.00 0.00 C ATOM 966 O LYS A 442 1.983 -10.827 3.796 1.00 0.00 O ATOM 967 CB LYS A 442 0.124 -11.671 1.725 1.00 0.00 C ATOM 968 CG LYS A 442 -0.662 -12.740 0.953 1.00 0.00 C ATOM 969 CD LYS A 442 -0.168 -12.804 -0.500 1.00 0.00 C ATOM 970 CE LYS A 442 -0.885 -13.926 -1.261 1.00 0.00 C ATOM 971 NZ LYS A 442 -0.408 -14.034 -2.665 1.00 0.00 N ATOM 0 HA LYS A 442 -0.173 -12.552 3.705 1.00 0.00 H new ATOM 0 HB2 LYS A 442 -0.048 -10.701 1.259 1.00 0.00 H new ATOM 0 HB3 LYS A 442 1.189 -11.883 1.636 1.00 0.00 H new ATOM 0 HG2 LYS A 442 -0.538 -13.711 1.432 1.00 0.00 H new ATOM 0 HG3 LYS A 442 -1.727 -12.507 0.974 1.00 0.00 H new ATOM 0 HD2 LYS A 442 -0.347 -11.849 -0.994 1.00 0.00 H new ATOM 0 HD3 LYS A 442 0.908 -12.975 -0.517 1.00 0.00 H new ATOM 0 HE2 LYS A 442 -0.723 -14.874 -0.748 1.00 0.00 H new ATOM 0 HE3 LYS A 442 -1.959 -13.740 -1.255 1.00 0.00 H new ATOM 0 HZ1 LYS A 442 -0.916 -14.803 -3.146 1.00 0.00 H new ATOM 0 HZ2 LYS A 442 -0.586 -13.138 -3.162 1.00 0.00 H new ATOM 0 HZ3 LYS A 442 0.612 -14.237 -2.670 1.00 0.00 H new ATOM 985 N CYS A 443 0.282 -9.749 4.795 1.00 0.00 N ATOM 986 CA CYS A 443 1.033 -8.724 5.533 1.00 0.00 C ATOM 987 C CYS A 443 1.686 -7.662 4.623 1.00 0.00 C ATOM 988 O CYS A 443 2.565 -6.939 5.086 1.00 0.00 O ATOM 989 CB CYS A 443 2.038 -9.369 6.511 1.00 0.00 C ATOM 990 SG CYS A 443 1.192 -10.533 7.623 1.00 0.00 S ATOM 0 H CYS A 443 -0.721 -9.675 4.965 1.00 0.00 H new ATOM 0 HA CYS A 443 0.304 -8.171 6.126 1.00 0.00 H new ATOM 0 HB2 CYS A 443 2.814 -9.891 5.951 1.00 0.00 H new ATOM 0 HB3 CYS A 443 2.533 -8.594 7.096 1.00 0.00 H new ATOM 0 HG CYS A 443 0.603 -9.873 8.576 1.00 0.00 H new ATOM 996 N PHE A 444 1.261 -7.521 3.362 1.00 0.00 N ATOM 997 CA PHE A 444 1.751 -6.472 2.462 1.00 0.00 C ATOM 998 C PHE A 444 0.661 -5.940 1.521 1.00 0.00 C ATOM 999 O PHE A 444 -0.330 -6.616 1.233 1.00 0.00 O ATOM 1000 CB PHE A 444 3.018 -6.931 1.716 1.00 0.00 C ATOM 1001 CG PHE A 444 2.814 -7.993 0.650 1.00 0.00 C ATOM 1002 CD1 PHE A 444 2.425 -7.621 -0.653 1.00 0.00 C ATOM 1003 CD2 PHE A 444 3.049 -9.348 0.943 1.00 0.00 C ATOM 1004 CE1 PHE A 444 2.246 -8.601 -1.645 1.00 0.00 C ATOM 1005 CE2 PHE A 444 2.881 -10.328 -0.053 1.00 0.00 C ATOM 1006 CZ PHE A 444 2.471 -9.956 -1.345 1.00 0.00 C ATOM 0 H PHE A 444 0.565 -8.134 2.936 1.00 0.00 H new ATOM 0 HA PHE A 444 2.034 -5.620 3.080 1.00 0.00 H new ATOM 0 HB2 PHE A 444 3.477 -6.059 1.249 1.00 0.00 H new ATOM 0 HB3 PHE A 444 3.729 -7.312 2.449 1.00 0.00 H new ATOM 0 HD1 PHE A 444 2.264 -6.580 -0.890 1.00 0.00 H new ATOM 0 HD2 PHE A 444 3.360 -9.638 1.936 1.00 0.00 H new ATOM 0 HE1 PHE A 444 1.935 -8.313 -2.638 1.00 0.00 H new ATOM 0 HE2 PHE A 444 3.067 -11.367 0.176 1.00 0.00 H new ATOM 0 HZ PHE A 444 2.329 -10.709 -2.106 1.00 0.00 H new ATOM 1016 N GLY A 445 0.853 -4.697 1.075 1.00 0.00 N ATOM 1017 CA GLY A 445 -0.112 -3.895 0.324 1.00 0.00 C ATOM 1018 C GLY A 445 0.518 -2.772 -0.502 1.00 0.00 C ATOM 1019 O GLY A 445 1.738 -2.606 -0.542 1.00 0.00 O ATOM 0 H GLY A 445 1.729 -4.199 1.236 1.00 0.00 H new ATOM 0 HA2 GLY A 445 -0.673 -4.551 -0.342 1.00 0.00 H new ATOM 0 HA3 GLY A 445 -0.828 -3.461 1.021 1.00 0.00 H new ATOM 1023 N PHE A 446 -0.341 -1.994 -1.158 1.00 0.00 N ATOM 1024 CA PHE A 446 -0.009 -0.890 -2.058 1.00 0.00 C ATOM 1025 C PHE A 446 -0.890 0.329 -1.749 1.00 0.00 C ATOM 1026 O PHE A 446 -2.059 0.163 -1.404 1.00 0.00 O ATOM 1027 CB PHE A 446 -0.224 -1.362 -3.505 1.00 0.00 C ATOM 1028 CG PHE A 446 -0.034 -0.281 -4.555 1.00 0.00 C ATOM 1029 CD1 PHE A 446 1.263 0.066 -4.973 1.00 0.00 C ATOM 1030 CD2 PHE A 446 -1.144 0.394 -5.103 1.00 0.00 C ATOM 1031 CE1 PHE A 446 1.458 1.064 -5.944 1.00 0.00 C ATOM 1032 CE2 PHE A 446 -0.950 1.395 -6.070 1.00 0.00 C ATOM 1033 CZ PHE A 446 0.349 1.726 -6.498 1.00 0.00 C ATOM 0 H PHE A 446 -1.349 -2.125 -1.070 1.00 0.00 H new ATOM 0 HA PHE A 446 1.031 -0.594 -1.920 1.00 0.00 H new ATOM 0 HB2 PHE A 446 0.467 -2.179 -3.714 1.00 0.00 H new ATOM 0 HB3 PHE A 446 -1.232 -1.766 -3.596 1.00 0.00 H new ATOM 0 HD1 PHE A 446 2.117 -0.438 -4.545 1.00 0.00 H new ATOM 0 HD2 PHE A 446 -2.143 0.142 -4.780 1.00 0.00 H new ATOM 0 HE1 PHE A 446 2.457 1.321 -6.263 1.00 0.00 H new ATOM 0 HE2 PHE A 446 -1.802 1.913 -6.486 1.00 0.00 H new ATOM 0 HZ PHE A 446 0.493 2.487 -7.251 1.00 0.00 H new ATOM 1043 N VAL A 447 -0.349 1.540 -1.907 1.00 0.00 N ATOM 1044 CA VAL A 447 -1.086 2.814 -1.793 1.00 0.00 C ATOM 1045 C VAL A 447 -0.520 3.816 -2.802 1.00 0.00 C ATOM 1046 O VAL A 447 0.690 3.913 -2.952 1.00 0.00 O ATOM 1047 CB VAL A 447 -1.021 3.425 -0.367 1.00 0.00 C ATOM 1048 CG1 VAL A 447 -1.767 4.768 -0.270 1.00 0.00 C ATOM 1049 CG2 VAL A 447 -1.615 2.495 0.703 1.00 0.00 C ATOM 0 H VAL A 447 0.639 1.671 -2.124 1.00 0.00 H new ATOM 0 HA VAL A 447 -2.134 2.601 -2.002 1.00 0.00 H new ATOM 0 HB VAL A 447 0.043 3.572 -0.181 1.00 0.00 H new ATOM 0 HG11 VAL A 447 -1.692 5.153 0.747 1.00 0.00 H new ATOM 0 HG12 VAL A 447 -1.322 5.482 -0.963 1.00 0.00 H new ATOM 0 HG13 VAL A 447 -2.816 4.621 -0.525 1.00 0.00 H new ATOM 0 HG21 VAL A 447 -1.543 2.972 1.680 1.00 0.00 H new ATOM 0 HG22 VAL A 447 -2.662 2.296 0.472 1.00 0.00 H new ATOM 0 HG23 VAL A 447 -1.062 1.556 0.716 1.00 0.00 H new ATOM 1059 N SER A 448 -1.369 4.587 -3.472 1.00 0.00 N ATOM 1060 CA SER A 448 -0.962 5.639 -4.418 1.00 0.00 C ATOM 1061 C SER A 448 -1.673 6.970 -4.141 1.00 0.00 C ATOM 1062 O SER A 448 -2.788 6.991 -3.624 1.00 0.00 O ATOM 1063 CB SER A 448 -1.231 5.175 -5.857 1.00 0.00 C ATOM 1064 OG SER A 448 -2.594 4.824 -6.059 1.00 0.00 O ATOM 0 H SER A 448 -2.381 4.503 -3.376 1.00 0.00 H new ATOM 0 HA SER A 448 0.106 5.813 -4.285 1.00 0.00 H new ATOM 0 HB2 SER A 448 -0.955 5.969 -6.551 1.00 0.00 H new ATOM 0 HB3 SER A 448 -0.598 4.317 -6.085 1.00 0.00 H new ATOM 0 HG SER A 448 -2.662 4.192 -6.805 1.00 0.00 H new ATOM 1070 N TYR A 449 -1.039 8.092 -4.494 1.00 0.00 N ATOM 1071 CA TYR A 449 -1.525 9.458 -4.246 1.00 0.00 C ATOM 1072 C TYR A 449 -1.594 10.314 -5.520 1.00 0.00 C ATOM 1073 O TYR A 449 -0.962 10.016 -6.533 1.00 0.00 O ATOM 1074 CB TYR A 449 -0.609 10.157 -3.230 1.00 0.00 C ATOM 1075 CG TYR A 449 -0.713 9.643 -1.813 1.00 0.00 C ATOM 1076 CD1 TYR A 449 0.038 8.524 -1.407 1.00 0.00 C ATOM 1077 CD2 TYR A 449 -1.567 10.292 -0.901 1.00 0.00 C ATOM 1078 CE1 TYR A 449 -0.042 8.073 -0.079 1.00 0.00 C ATOM 1079 CE2 TYR A 449 -1.662 9.837 0.426 1.00 0.00 C ATOM 1080 CZ TYR A 449 -0.893 8.727 0.836 1.00 0.00 C ATOM 1081 OH TYR A 449 -0.981 8.267 2.107 1.00 0.00 O ATOM 0 H TYR A 449 -0.141 8.077 -4.978 1.00 0.00 H new ATOM 0 HA TYR A 449 -2.539 9.362 -3.859 1.00 0.00 H new ATOM 0 HB2 TYR A 449 0.424 10.052 -3.563 1.00 0.00 H new ATOM 0 HB3 TYR A 449 -0.838 11.223 -3.231 1.00 0.00 H new ATOM 0 HD1 TYR A 449 0.674 8.013 -2.115 1.00 0.00 H new ATOM 0 HD2 TYR A 449 -2.151 11.142 -1.222 1.00 0.00 H new ATOM 0 HE1 TYR A 449 0.547 7.226 0.241 1.00 0.00 H new ATOM 0 HE2 TYR A 449 -2.318 10.333 1.126 1.00 0.00 H new ATOM 0 HH TYR A 449 -1.836 8.545 2.497 1.00 0.00 H new ATOM 1091 N ASP A 450 -2.326 11.428 -5.440 1.00 0.00 N ATOM 1092 CA ASP A 450 -2.399 12.442 -6.501 1.00 0.00 C ATOM 1093 C ASP A 450 -1.098 13.261 -6.645 1.00 0.00 C ATOM 1094 O ASP A 450 -0.863 13.858 -7.695 1.00 0.00 O ATOM 1095 CB ASP A 450 -3.605 13.348 -6.212 1.00 0.00 C ATOM 1096 CG ASP A 450 -3.889 14.361 -7.335 1.00 0.00 C ATOM 1097 OD1 ASP A 450 -4.201 13.928 -8.470 1.00 0.00 O ATOM 1098 OD2 ASP A 450 -3.849 15.585 -7.063 1.00 0.00 O ATOM 0 H ASP A 450 -2.894 11.657 -4.624 1.00 0.00 H new ATOM 0 HA ASP A 450 -2.525 11.937 -7.459 1.00 0.00 H new ATOM 0 HB2 ASP A 450 -4.488 12.728 -6.060 1.00 0.00 H new ATOM 0 HB3 ASP A 450 -3.430 13.888 -5.281 1.00 0.00 H new ATOM 1103 N ASN A 451 -0.232 13.257 -5.619 1.00 0.00 N ATOM 1104 CA ASN A 451 1.029 14.011 -5.575 1.00 0.00 C ATOM 1105 C ASN A 451 2.146 13.240 -4.829 1.00 0.00 C ATOM 1106 O ASN A 451 1.844 12.506 -3.880 1.00 0.00 O ATOM 1107 CB ASN A 451 0.815 15.374 -4.888 1.00 0.00 C ATOM 1108 CG ASN A 451 -0.291 16.216 -5.516 1.00 0.00 C ATOM 1109 OD1 ASN A 451 -0.108 16.843 -6.553 1.00 0.00 O ATOM 1110 ND2 ASN A 451 -1.456 16.269 -4.893 1.00 0.00 N ATOM 0 H ASN A 451 -0.396 12.712 -4.772 1.00 0.00 H new ATOM 0 HA ASN A 451 1.346 14.157 -6.608 1.00 0.00 H new ATOM 0 HB2 ASN A 451 0.579 15.207 -3.837 1.00 0.00 H new ATOM 0 HB3 ASN A 451 1.748 15.936 -4.919 1.00 0.00 H new ATOM 0 HD21 ASN A 451 -2.213 16.836 -5.275 1.00 0.00 H new ATOM 0 HD22 ASN A 451 -1.598 15.743 -4.031 1.00 0.00 H new ATOM 1117 N PRO A 452 3.436 13.450 -5.179 1.00 0.00 N ATOM 1118 CA PRO A 452 4.579 12.839 -4.492 1.00 0.00 C ATOM 1119 C PRO A 452 4.739 13.294 -3.036 1.00 0.00 C ATOM 1120 O PRO A 452 5.234 12.537 -2.209 1.00 0.00 O ATOM 1121 CB PRO A 452 5.828 13.233 -5.293 1.00 0.00 C ATOM 1122 CG PRO A 452 5.296 13.746 -6.626 1.00 0.00 C ATOM 1123 CD PRO A 452 3.906 14.270 -6.287 1.00 0.00 C ATOM 0 HA PRO A 452 4.425 11.761 -4.447 1.00 0.00 H new ATOM 0 HB2 PRO A 452 6.403 14.001 -4.775 1.00 0.00 H new ATOM 0 HB3 PRO A 452 6.491 12.380 -5.435 1.00 0.00 H new ATOM 0 HG2 PRO A 452 5.931 14.532 -7.034 1.00 0.00 H new ATOM 0 HG3 PRO A 452 5.253 12.952 -7.372 1.00 0.00 H new ATOM 0 HD2 PRO A 452 3.942 15.323 -6.007 1.00 0.00 H new ATOM 0 HD3 PRO A 452 3.238 14.190 -7.144 1.00 0.00 H new ATOM 1131 N VAL A 453 4.322 14.519 -2.708 1.00 0.00 N ATOM 1132 CA VAL A 453 4.501 15.117 -1.370 1.00 0.00 C ATOM 1133 C VAL A 453 3.551 14.476 -0.351 1.00 0.00 C ATOM 1134 O VAL A 453 3.969 14.153 0.759 1.00 0.00 O ATOM 1135 CB VAL A 453 4.332 16.656 -1.407 1.00 0.00 C ATOM 1136 CG1 VAL A 453 4.531 17.299 -0.023 1.00 0.00 C ATOM 1137 CG2 VAL A 453 5.329 17.295 -2.393 1.00 0.00 C ATOM 0 H VAL A 453 3.845 15.135 -3.366 1.00 0.00 H new ATOM 0 HA VAL A 453 5.523 14.912 -1.051 1.00 0.00 H new ATOM 0 HB VAL A 453 3.309 16.842 -1.734 1.00 0.00 H new ATOM 0 HG11 VAL A 453 4.402 18.379 -0.101 1.00 0.00 H new ATOM 0 HG12 VAL A 453 3.797 16.896 0.674 1.00 0.00 H new ATOM 0 HG13 VAL A 453 5.535 17.079 0.340 1.00 0.00 H new ATOM 0 HG21 VAL A 453 5.190 18.376 -2.401 1.00 0.00 H new ATOM 0 HG22 VAL A 453 6.348 17.062 -2.083 1.00 0.00 H new ATOM 0 HG23 VAL A 453 5.155 16.900 -3.394 1.00 0.00 H new ATOM 1147 N SER A 454 2.301 14.202 -0.741 1.00 0.00 N ATOM 1148 CA SER A 454 1.332 13.448 0.072 1.00 0.00 C ATOM 1149 C SER A 454 1.813 12.015 0.351 1.00 0.00 C ATOM 1150 O SER A 454 1.605 11.471 1.437 1.00 0.00 O ATOM 1151 CB SER A 454 -0.012 13.379 -0.671 1.00 0.00 C ATOM 1152 OG SER A 454 -0.433 14.646 -1.167 1.00 0.00 O ATOM 0 H SER A 454 1.926 14.500 -1.642 1.00 0.00 H new ATOM 0 HA SER A 454 1.224 13.967 1.025 1.00 0.00 H new ATOM 0 HB2 SER A 454 0.073 12.678 -1.502 1.00 0.00 H new ATOM 0 HB3 SER A 454 -0.774 12.985 0.002 1.00 0.00 H new ATOM 0 HG SER A 454 -1.290 14.547 -1.632 1.00 0.00 H new ATOM 1158 N ALA A 455 2.518 11.425 -0.618 1.00 0.00 N ATOM 1159 CA ALA A 455 3.099 10.091 -0.532 1.00 0.00 C ATOM 1160 C ALA A 455 4.334 10.058 0.382 1.00 0.00 C ATOM 1161 O ALA A 455 4.399 9.245 1.302 1.00 0.00 O ATOM 1162 CB ALA A 455 3.401 9.658 -1.968 1.00 0.00 C ATOM 0 H ALA A 455 2.704 11.881 -1.511 1.00 0.00 H new ATOM 0 HA ALA A 455 2.406 9.389 -0.069 1.00 0.00 H new ATOM 0 HB1 ALA A 455 3.840 8.660 -1.962 1.00 0.00 H new ATOM 0 HB2 ALA A 455 2.477 9.645 -2.546 1.00 0.00 H new ATOM 0 HB3 ALA A 455 4.101 10.360 -2.420 1.00 0.00 H new ATOM 1168 N GLN A 456 5.284 10.978 0.195 1.00 0.00 N ATOM 1169 CA GLN A 456 6.474 11.113 1.045 1.00 0.00 C ATOM 1170 C GLN A 456 6.111 11.422 2.504 1.00 0.00 C ATOM 1171 O GLN A 456 6.779 10.934 3.416 1.00 0.00 O ATOM 1172 CB GLN A 456 7.389 12.212 0.473 1.00 0.00 C ATOM 1173 CG GLN A 456 8.158 11.775 -0.789 1.00 0.00 C ATOM 1174 CD GLN A 456 9.271 10.754 -0.530 1.00 0.00 C ATOM 1175 OE1 GLN A 456 9.626 10.423 0.595 1.00 0.00 O ATOM 1176 NE2 GLN A 456 9.872 10.209 -1.567 1.00 0.00 N ATOM 0 H GLN A 456 5.249 11.661 -0.562 1.00 0.00 H new ATOM 0 HA GLN A 456 6.999 10.158 1.045 1.00 0.00 H new ATOM 0 HB2 GLN A 456 6.786 13.089 0.236 1.00 0.00 H new ATOM 0 HB3 GLN A 456 8.104 12.514 1.239 1.00 0.00 H new ATOM 0 HG2 GLN A 456 7.451 11.351 -1.502 1.00 0.00 H new ATOM 0 HG3 GLN A 456 8.593 12.657 -1.258 1.00 0.00 H new ATOM 0 HE21 GLN A 456 9.593 10.469 -2.513 1.00 0.00 H new ATOM 0 HE22 GLN A 456 10.616 9.526 -1.424 1.00 0.00 H new ATOM 1185 N ALA A 457 5.033 12.176 2.747 1.00 0.00 N ATOM 1186 CA ALA A 457 4.501 12.412 4.089 1.00 0.00 C ATOM 1187 C ALA A 457 3.977 11.125 4.753 1.00 0.00 C ATOM 1188 O ALA A 457 4.086 10.986 5.972 1.00 0.00 O ATOM 1189 CB ALA A 457 3.407 13.483 3.996 1.00 0.00 C ATOM 0 H ALA A 457 4.503 12.642 2.011 1.00 0.00 H new ATOM 0 HA ALA A 457 5.310 12.762 4.730 1.00 0.00 H new ATOM 0 HB1 ALA A 457 2.998 13.672 4.988 1.00 0.00 H new ATOM 0 HB2 ALA A 457 3.832 14.404 3.597 1.00 0.00 H new ATOM 0 HB3 ALA A 457 2.612 13.135 3.336 1.00 0.00 H new ATOM 1195 N ALA A 458 3.473 10.161 3.973 1.00 0.00 N ATOM 1196 CA ALA A 458 3.037 8.865 4.482 1.00 0.00 C ATOM 1197 C ALA A 458 4.231 7.954 4.793 1.00 0.00 C ATOM 1198 O ALA A 458 4.253 7.342 5.859 1.00 0.00 O ATOM 1199 CB ALA A 458 2.077 8.233 3.473 1.00 0.00 C ATOM 0 H ALA A 458 3.358 10.264 2.965 1.00 0.00 H new ATOM 0 HA ALA A 458 2.510 9.004 5.426 1.00 0.00 H new ATOM 0 HB1 ALA A 458 1.745 7.263 3.844 1.00 0.00 H new ATOM 0 HB2 ALA A 458 1.213 8.884 3.336 1.00 0.00 H new ATOM 0 HB3 ALA A 458 2.587 8.101 2.519 1.00 0.00 H new ATOM 1205 N ILE A 459 5.266 7.923 3.939 1.00 0.00 N ATOM 1206 CA ILE A 459 6.509 7.171 4.223 1.00 0.00 C ATOM 1207 C ILE A 459 7.136 7.663 5.535 1.00 0.00 C ATOM 1208 O ILE A 459 7.450 6.856 6.408 1.00 0.00 O ATOM 1209 CB ILE A 459 7.537 7.248 3.064 1.00 0.00 C ATOM 1210 CG1 ILE A 459 6.911 6.872 1.705 1.00 0.00 C ATOM 1211 CG2 ILE A 459 8.730 6.314 3.362 1.00 0.00 C ATOM 1212 CD1 ILE A 459 7.887 6.997 0.531 1.00 0.00 C ATOM 0 H ILE A 459 5.271 8.410 3.043 1.00 0.00 H new ATOM 0 HA ILE A 459 6.232 6.122 4.324 1.00 0.00 H new ATOM 0 HB ILE A 459 7.877 8.281 2.996 1.00 0.00 H new ATOM 0 HG12 ILE A 459 6.542 5.847 1.754 1.00 0.00 H new ATOM 0 HG13 ILE A 459 6.049 7.513 1.521 1.00 0.00 H new ATOM 0 HG21 ILE A 459 9.450 6.371 2.545 1.00 0.00 H new ATOM 0 HG22 ILE A 459 9.210 6.622 4.291 1.00 0.00 H new ATOM 0 HG23 ILE A 459 8.374 5.289 3.460 1.00 0.00 H new ATOM 0 HD11 ILE A 459 7.382 6.718 -0.394 1.00 0.00 H new ATOM 0 HD12 ILE A 459 8.237 8.027 0.457 1.00 0.00 H new ATOM 0 HD13 ILE A 459 8.738 6.336 0.693 1.00 0.00 H new ATOM 1224 N GLN A 460 7.252 8.982 5.705 1.00 0.00 N ATOM 1225 CA GLN A 460 7.859 9.602 6.890 1.00 0.00 C ATOM 1226 C GLN A 460 6.997 9.475 8.162 1.00 0.00 C ATOM 1227 O GLN A 460 7.513 9.673 9.262 1.00 0.00 O ATOM 1228 CB GLN A 460 8.163 11.077 6.584 1.00 0.00 C ATOM 1229 CG GLN A 460 9.308 11.243 5.569 1.00 0.00 C ATOM 1230 CD GLN A 460 9.428 12.690 5.094 1.00 0.00 C ATOM 1231 OE1 GLN A 460 10.264 13.465 5.546 1.00 0.00 O ATOM 1232 NE2 GLN A 460 8.586 13.110 4.173 1.00 0.00 N ATOM 0 H GLN A 460 6.924 9.659 5.017 1.00 0.00 H new ATOM 0 HA GLN A 460 8.780 9.061 7.105 1.00 0.00 H new ATOM 0 HB2 GLN A 460 7.265 11.557 6.196 1.00 0.00 H new ATOM 0 HB3 GLN A 460 8.424 11.591 7.509 1.00 0.00 H new ATOM 0 HG2 GLN A 460 10.247 10.929 6.024 1.00 0.00 H new ATOM 0 HG3 GLN A 460 9.135 10.591 4.713 1.00 0.00 H new ATOM 0 HE21 GLN A 460 7.887 12.472 3.792 1.00 0.00 H new ATOM 0 HE22 GLN A 460 8.632 14.073 3.841 1.00 0.00 H new ATOM 1241 N SER A 461 5.716 9.117 8.047 1.00 0.00 N ATOM 1242 CA SER A 461 4.813 8.926 9.195 1.00 0.00 C ATOM 1243 C SER A 461 4.582 7.449 9.561 1.00 0.00 C ATOM 1244 O SER A 461 4.345 7.144 10.734 1.00 0.00 O ATOM 1245 CB SER A 461 3.453 9.584 8.918 1.00 0.00 C ATOM 1246 OG SER A 461 3.576 10.982 8.704 1.00 0.00 O ATOM 0 H SER A 461 5.267 8.949 7.147 1.00 0.00 H new ATOM 0 HA SER A 461 5.309 9.398 10.043 1.00 0.00 H new ATOM 0 HB2 SER A 461 2.997 9.121 8.043 1.00 0.00 H new ATOM 0 HB3 SER A 461 2.784 9.403 9.759 1.00 0.00 H new ATOM 0 HG SER A 461 3.749 11.154 7.755 1.00 0.00 H new ATOM 1252 N MET A 462 4.672 6.530 8.589 1.00 0.00 N ATOM 1253 CA MET A 462 4.253 5.127 8.739 1.00 0.00 C ATOM 1254 C MET A 462 5.385 4.103 8.658 1.00 0.00 C ATOM 1255 O MET A 462 5.225 2.983 9.146 1.00 0.00 O ATOM 1256 CB MET A 462 3.180 4.795 7.693 1.00 0.00 C ATOM 1257 CG MET A 462 1.935 5.684 7.816 1.00 0.00 C ATOM 1258 SD MET A 462 1.203 5.800 9.474 1.00 0.00 S ATOM 1259 CE MET A 462 0.639 4.104 9.687 1.00 0.00 C ATOM 0 H MET A 462 5.043 6.742 7.663 1.00 0.00 H new ATOM 0 HA MET A 462 3.858 5.046 9.752 1.00 0.00 H new ATOM 0 HB2 MET A 462 3.604 4.908 6.695 1.00 0.00 H new ATOM 0 HB3 MET A 462 2.887 3.750 7.799 1.00 0.00 H new ATOM 0 HG2 MET A 462 2.196 6.689 7.484 1.00 0.00 H new ATOM 0 HG3 MET A 462 1.175 5.309 7.130 1.00 0.00 H new ATOM 0 HE1 MET A 462 -0.114 4.067 10.475 1.00 0.00 H new ATOM 0 HE2 MET A 462 0.206 3.745 8.754 1.00 0.00 H new ATOM 0 HE3 MET A 462 1.483 3.472 9.962 1.00 0.00 H new ATOM 1269 N ASN A 463 6.542 4.453 8.096 1.00 0.00 N ATOM 1270 CA ASN A 463 7.706 3.570 8.103 1.00 0.00 C ATOM 1271 C ASN A 463 8.278 3.464 9.534 1.00 0.00 C ATOM 1272 O ASN A 463 8.807 4.439 10.074 1.00 0.00 O ATOM 1273 CB ASN A 463 8.724 4.086 7.078 1.00 0.00 C ATOM 1274 CG ASN A 463 9.851 3.091 6.859 1.00 0.00 C ATOM 1275 OD1 ASN A 463 9.612 1.974 6.415 1.00 0.00 O ATOM 1276 ND2 ASN A 463 11.085 3.444 7.163 1.00 0.00 N ATOM 0 H ASN A 463 6.697 5.346 7.628 1.00 0.00 H new ATOM 0 HA ASN A 463 7.431 2.557 7.809 1.00 0.00 H new ATOM 0 HB2 ASN A 463 8.221 4.281 6.131 1.00 0.00 H new ATOM 0 HB3 ASN A 463 9.137 5.035 7.421 1.00 0.00 H new ATOM 0 HD21 ASN A 463 11.852 2.785 7.029 1.00 0.00 H new ATOM 0 HD22 ASN A 463 11.273 4.376 7.532 1.00 0.00 H new ATOM 1283 N GLY A 464 8.132 2.290 10.162 1.00 0.00 N ATOM 1284 CA GLY A 464 8.461 2.032 11.573 1.00 0.00 C ATOM 1285 C GLY A 464 7.273 2.127 12.543 1.00 0.00 C ATOM 1286 O GLY A 464 7.480 1.970 13.747 1.00 0.00 O ATOM 0 H GLY A 464 7.769 1.464 9.686 1.00 0.00 H new ATOM 0 HA2 GLY A 464 8.898 1.036 11.653 1.00 0.00 H new ATOM 0 HA3 GLY A 464 9.226 2.742 11.888 1.00 0.00 H new ATOM 1290 N PHE A 465 6.046 2.369 12.060 1.00 0.00 N ATOM 1291 CA PHE A 465 4.835 2.494 12.888 1.00 0.00 C ATOM 1292 C PHE A 465 4.518 1.186 13.626 1.00 0.00 C ATOM 1293 O PHE A 465 4.362 0.144 12.990 1.00 0.00 O ATOM 1294 CB PHE A 465 3.666 2.913 11.985 1.00 0.00 C ATOM 1295 CG PHE A 465 2.331 3.109 12.682 1.00 0.00 C ATOM 1296 CD1 PHE A 465 1.422 2.038 12.818 1.00 0.00 C ATOM 1297 CD2 PHE A 465 1.979 4.384 13.163 1.00 0.00 C ATOM 1298 CE1 PHE A 465 0.174 2.247 13.431 1.00 0.00 C ATOM 1299 CE2 PHE A 465 0.730 4.590 13.778 1.00 0.00 C ATOM 1300 CZ PHE A 465 -0.172 3.521 13.911 1.00 0.00 C ATOM 0 H PHE A 465 5.863 2.486 11.063 1.00 0.00 H new ATOM 0 HA PHE A 465 5.001 3.253 13.653 1.00 0.00 H new ATOM 0 HB2 PHE A 465 3.933 3.844 11.484 1.00 0.00 H new ATOM 0 HB3 PHE A 465 3.542 2.158 11.209 1.00 0.00 H new ATOM 0 HD1 PHE A 465 1.685 1.057 12.451 1.00 0.00 H new ATOM 0 HD2 PHE A 465 2.670 5.208 13.060 1.00 0.00 H new ATOM 0 HE1 PHE A 465 -0.520 1.426 13.533 1.00 0.00 H new ATOM 0 HE2 PHE A 465 0.465 5.570 14.148 1.00 0.00 H new ATOM 0 HZ PHE A 465 -1.131 3.679 14.382 1.00 0.00 H new ATOM 1310 N GLN A 466 4.417 1.228 14.957 1.00 0.00 N ATOM 1311 CA GLN A 466 4.150 0.046 15.779 1.00 0.00 C ATOM 1312 C GLN A 466 2.657 -0.319 15.750 1.00 0.00 C ATOM 1313 O GLN A 466 1.793 0.528 15.980 1.00 0.00 O ATOM 1314 CB GLN A 466 4.664 0.290 17.209 1.00 0.00 C ATOM 1315 CG GLN A 466 4.626 -0.990 18.068 1.00 0.00 C ATOM 1316 CD GLN A 466 5.132 -0.777 19.499 1.00 0.00 C ATOM 1317 OE1 GLN A 466 6.000 0.042 19.782 1.00 0.00 O ATOM 1318 NE2 GLN A 466 4.615 -1.510 20.467 1.00 0.00 N ATOM 0 H GLN A 466 4.519 2.087 15.497 1.00 0.00 H new ATOM 0 HA GLN A 466 4.685 -0.810 15.369 1.00 0.00 H new ATOM 0 HB2 GLN A 466 5.686 0.667 17.167 1.00 0.00 H new ATOM 0 HB3 GLN A 466 4.059 1.062 17.684 1.00 0.00 H new ATOM 0 HG2 GLN A 466 3.603 -1.364 18.104 1.00 0.00 H new ATOM 0 HG3 GLN A 466 5.230 -1.759 17.587 1.00 0.00 H new ATOM 0 HE21 GLN A 466 3.892 -2.198 20.255 1.00 0.00 H new ATOM 0 HE22 GLN A 466 4.939 -1.389 21.427 1.00 0.00 H new ATOM 1327 N ILE A 467 2.350 -1.595 15.491 1.00 0.00 N ATOM 1328 CA ILE A 467 0.985 -2.132 15.386 1.00 0.00 C ATOM 1329 C ILE A 467 0.951 -3.603 15.833 1.00 0.00 C ATOM 1330 O ILE A 467 1.821 -4.395 15.460 1.00 0.00 O ATOM 1331 CB ILE A 467 0.444 -1.896 13.952 1.00 0.00 C ATOM 1332 CG1 ILE A 467 -1.095 -1.997 13.936 1.00 0.00 C ATOM 1333 CG2 ILE A 467 1.095 -2.820 12.903 1.00 0.00 C ATOM 1334 CD1 ILE A 467 -1.734 -1.589 12.603 1.00 0.00 C ATOM 0 H ILE A 467 3.066 -2.306 15.344 1.00 0.00 H new ATOM 0 HA ILE A 467 0.314 -1.603 16.063 1.00 0.00 H new ATOM 0 HB ILE A 467 0.725 -0.884 13.662 1.00 0.00 H new ATOM 0 HG12 ILE A 467 -1.384 -3.022 14.167 1.00 0.00 H new ATOM 0 HG13 ILE A 467 -1.498 -1.366 14.728 1.00 0.00 H new ATOM 0 HG21 ILE A 467 0.675 -2.607 11.920 1.00 0.00 H new ATOM 0 HG22 ILE A 467 2.171 -2.647 12.883 1.00 0.00 H new ATOM 0 HG23 ILE A 467 0.900 -3.860 13.163 1.00 0.00 H new ATOM 0 HD11 ILE A 467 -2.817 -1.688 12.673 1.00 0.00 H new ATOM 0 HD12 ILE A 467 -1.478 -0.554 12.379 1.00 0.00 H new ATOM 0 HD13 ILE A 467 -1.362 -2.235 11.808 1.00 0.00 H new ATOM 1392 N ARG A 471 6.333 -3.775 13.891 1.00 0.00 N ATOM 1393 CA ARG A 471 6.427 -2.474 13.210 1.00 0.00 C ATOM 1394 C ARG A 471 6.250 -2.612 11.692 1.00 0.00 C ATOM 1395 O ARG A 471 6.788 -3.537 11.082 1.00 0.00 O ATOM 1396 CB ARG A 471 7.774 -1.807 13.528 1.00 0.00 C ATOM 1397 CG ARG A 471 7.893 -1.434 15.016 1.00 0.00 C ATOM 1398 CD ARG A 471 9.207 -0.711 15.320 1.00 0.00 C ATOM 1399 NE ARG A 471 10.379 -1.598 15.184 1.00 0.00 N ATOM 1400 CZ ARG A 471 11.653 -1.223 15.214 1.00 0.00 C ATOM 1401 NH1 ARG A 471 12.009 0.035 15.375 1.00 0.00 N ATOM 1402 NH2 ARG A 471 12.602 -2.124 15.081 1.00 0.00 N ATOM 0 HA ARG A 471 5.617 -1.847 13.581 1.00 0.00 H new ATOM 0 HB2 ARG A 471 8.586 -2.482 13.257 1.00 0.00 H new ATOM 0 HB3 ARG A 471 7.888 -0.910 12.919 1.00 0.00 H new ATOM 0 HG2 ARG A 471 7.055 -0.797 15.299 1.00 0.00 H new ATOM 0 HG3 ARG A 471 7.827 -2.337 15.623 1.00 0.00 H new ATOM 0 HD2 ARG A 471 9.316 0.138 14.645 1.00 0.00 H new ATOM 0 HD3 ARG A 471 9.173 -0.311 16.333 1.00 0.00 H new ATOM 0 HE ARG A 471 10.193 -2.593 15.055 1.00 0.00 H new ATOM 0 HH11 ARG A 471 11.296 0.757 15.482 1.00 0.00 H new ATOM 0 HH12 ARG A 471 12.997 0.287 15.393 1.00 0.00 H new ATOM 0 HH21 ARG A 471 12.358 -3.106 14.955 1.00 0.00 H new ATOM 0 HH22 ARG A 471 13.581 -1.840 15.103 1.00 0.00 H new ATOM 1416 N LEU A 472 5.508 -1.677 11.092 1.00 0.00 N ATOM 1417 CA LEU A 472 5.315 -1.557 9.643 1.00 0.00 C ATOM 1418 C LEU A 472 6.593 -1.081 8.936 1.00 0.00 C ATOM 1419 O LEU A 472 7.457 -0.445 9.539 1.00 0.00 O ATOM 1420 CB LEU A 472 4.171 -0.561 9.345 1.00 0.00 C ATOM 1421 CG LEU A 472 2.778 -0.928 9.890 1.00 0.00 C ATOM 1422 CD1 LEU A 472 1.743 0.100 9.412 1.00 0.00 C ATOM 1423 CD2 LEU A 472 2.352 -2.327 9.438 1.00 0.00 C ATOM 0 H LEU A 472 5.009 -0.959 11.618 1.00 0.00 H new ATOM 0 HA LEU A 472 5.061 -2.547 9.263 1.00 0.00 H new ATOM 0 HB2 LEU A 472 4.451 0.411 9.752 1.00 0.00 H new ATOM 0 HB3 LEU A 472 4.094 -0.444 8.264 1.00 0.00 H new ATOM 0 HG LEU A 472 2.833 -0.921 10.979 1.00 0.00 H new ATOM 0 HD11 LEU A 472 0.760 -0.166 9.801 1.00 0.00 H new ATOM 0 HD12 LEU A 472 2.021 1.090 9.773 1.00 0.00 H new ATOM 0 HD13 LEU A 472 1.713 0.106 8.322 1.00 0.00 H new ATOM 0 HD21 LEU A 472 1.365 -2.554 9.840 1.00 0.00 H new ATOM 0 HD22 LEU A 472 2.317 -2.363 8.349 1.00 0.00 H new ATOM 0 HD23 LEU A 472 3.070 -3.062 9.803 1.00 0.00 H new ATOM 1435 N LYS A 473 6.664 -1.313 7.626 1.00 0.00 N ATOM 1436 CA LYS A 473 7.675 -0.751 6.719 1.00 0.00 C ATOM 1437 C LYS A 473 6.975 -0.183 5.470 1.00 0.00 C ATOM 1438 O LYS A 473 6.004 -0.770 4.996 1.00 0.00 O ATOM 1439 CB LYS A 473 8.701 -1.849 6.381 1.00 0.00 C ATOM 1440 CG LYS A 473 9.883 -1.348 5.532 1.00 0.00 C ATOM 1441 CD LYS A 473 10.823 -2.484 5.095 1.00 0.00 C ATOM 1442 CE LYS A 473 11.491 -3.247 6.252 1.00 0.00 C ATOM 1443 NZ LYS A 473 12.463 -2.410 7.007 1.00 0.00 N ATOM 0 H LYS A 473 5.998 -1.918 7.146 1.00 0.00 H new ATOM 0 HA LYS A 473 8.215 0.072 7.187 1.00 0.00 H new ATOM 0 HB2 LYS A 473 9.085 -2.274 7.309 1.00 0.00 H new ATOM 0 HB3 LYS A 473 8.196 -2.654 5.847 1.00 0.00 H new ATOM 0 HG2 LYS A 473 9.500 -0.839 4.648 1.00 0.00 H new ATOM 0 HG3 LYS A 473 10.449 -0.613 6.103 1.00 0.00 H new ATOM 0 HD2 LYS A 473 10.258 -3.192 4.489 1.00 0.00 H new ATOM 0 HD3 LYS A 473 11.601 -2.068 4.455 1.00 0.00 H new ATOM 0 HE2 LYS A 473 10.722 -3.609 6.935 1.00 0.00 H new ATOM 0 HE3 LYS A 473 12.004 -4.124 5.856 1.00 0.00 H new ATOM 0 HZ1 LYS A 473 12.883 -2.973 7.774 1.00 0.00 H new ATOM 0 HZ2 LYS A 473 13.214 -2.085 6.365 1.00 0.00 H new ATOM 0 HZ3 LYS A 473 11.972 -1.587 7.410 1.00 0.00 H new ATOM 1457 N VAL A 474 7.437 0.947 4.937 1.00 0.00 N ATOM 1458 CA VAL A 474 6.848 1.619 3.768 1.00 0.00 C ATOM 1459 C VAL A 474 7.972 2.135 2.870 1.00 0.00 C ATOM 1460 O VAL A 474 8.939 2.705 3.372 1.00 0.00 O ATOM 1461 CB VAL A 474 5.920 2.790 4.179 1.00 0.00 C ATOM 1462 CG1 VAL A 474 5.186 3.344 2.952 1.00 0.00 C ATOM 1463 CG2 VAL A 474 4.882 2.377 5.235 1.00 0.00 C ATOM 0 H VAL A 474 8.250 1.436 5.311 1.00 0.00 H new ATOM 0 HA VAL A 474 6.237 0.894 3.230 1.00 0.00 H new ATOM 0 HB VAL A 474 6.561 3.556 4.616 1.00 0.00 H new ATOM 0 HG11 VAL A 474 4.538 4.166 3.256 1.00 0.00 H new ATOM 0 HG12 VAL A 474 5.914 3.705 2.225 1.00 0.00 H new ATOM 0 HG13 VAL A 474 4.584 2.555 2.501 1.00 0.00 H new ATOM 0 HG21 VAL A 474 4.258 3.235 5.487 1.00 0.00 H new ATOM 0 HG22 VAL A 474 4.257 1.578 4.837 1.00 0.00 H new ATOM 0 HG23 VAL A 474 5.394 2.025 6.131 1.00 0.00 H new ATOM 1473 N GLN A 475 7.845 1.944 1.556 1.00 0.00 N ATOM 1474 CA GLN A 475 8.809 2.390 0.543 1.00 0.00 C ATOM 1475 C GLN A 475 8.097 2.800 -0.752 1.00 0.00 C ATOM 1476 O GLN A 475 6.933 2.470 -0.976 1.00 0.00 O ATOM 1477 CB GLN A 475 9.820 1.262 0.241 1.00 0.00 C ATOM 1478 CG GLN A 475 10.896 1.047 1.315 1.00 0.00 C ATOM 1479 CD GLN A 475 11.851 2.236 1.455 1.00 0.00 C ATOM 1480 OE1 GLN A 475 12.784 2.414 0.682 1.00 0.00 O ATOM 1481 NE2 GLN A 475 11.654 3.104 2.426 1.00 0.00 N ATOM 0 H GLN A 475 7.043 1.459 1.152 1.00 0.00 H new ATOM 0 HA GLN A 475 9.337 3.258 0.939 1.00 0.00 H new ATOM 0 HB2 GLN A 475 9.271 0.330 0.107 1.00 0.00 H new ATOM 0 HB3 GLN A 475 10.313 1.481 -0.706 1.00 0.00 H new ATOM 0 HG2 GLN A 475 10.412 0.863 2.274 1.00 0.00 H new ATOM 0 HG3 GLN A 475 11.471 0.154 1.071 1.00 0.00 H new ATOM 0 HE21 GLN A 475 10.882 2.972 3.079 1.00 0.00 H new ATOM 0 HE22 GLN A 475 12.274 3.908 2.525 1.00 0.00 H new ATOM 1490 N LEU A 476 8.828 3.503 -1.624 1.00 0.00 N ATOM 1491 CA LEU A 476 8.405 3.793 -2.999 1.00 0.00 C ATOM 1492 C LEU A 476 8.328 2.517 -3.856 1.00 0.00 C ATOM 1493 O LEU A 476 8.975 1.507 -3.573 1.00 0.00 O ATOM 1494 CB LEU A 476 9.384 4.795 -3.647 1.00 0.00 C ATOM 1495 CG LEU A 476 9.363 6.228 -3.081 1.00 0.00 C ATOM 1496 CD1 LEU A 476 10.442 7.058 -3.789 1.00 0.00 C ATOM 1497 CD2 LEU A 476 8.002 6.907 -3.286 1.00 0.00 C ATOM 0 H LEU A 476 9.742 3.892 -1.392 1.00 0.00 H new ATOM 0 HA LEU A 476 7.406 4.225 -2.953 1.00 0.00 H new ATOM 0 HB2 LEU A 476 10.395 4.401 -3.545 1.00 0.00 H new ATOM 0 HB3 LEU A 476 9.167 4.845 -4.714 1.00 0.00 H new ATOM 0 HG LEU A 476 9.552 6.169 -2.009 1.00 0.00 H new ATOM 0 HD11 LEU A 476 10.436 8.075 -3.396 1.00 0.00 H new ATOM 0 HD12 LEU A 476 11.419 6.608 -3.616 1.00 0.00 H new ATOM 0 HD13 LEU A 476 10.238 7.082 -4.860 1.00 0.00 H new ATOM 0 HD21 LEU A 476 8.032 7.915 -2.872 1.00 0.00 H new ATOM 0 HD22 LEU A 476 7.778 6.959 -4.351 1.00 0.00 H new ATOM 0 HD23 LEU A 476 7.228 6.330 -2.780 1.00 0.00 H new ATOM 1509 N LYS A 477 7.576 2.595 -4.959 1.00 0.00 N ATOM 1510 CA LYS A 477 7.498 1.571 -6.011 1.00 0.00 C ATOM 1511 C LYS A 477 8.896 1.120 -6.497 1.00 0.00 C ATOM 1512 O LYS A 477 9.660 1.910 -7.061 1.00 0.00 O ATOM 1513 CB LYS A 477 6.605 2.137 -7.131 1.00 0.00 C ATOM 1514 CG LYS A 477 6.409 1.180 -8.318 1.00 0.00 C ATOM 1515 CD LYS A 477 5.318 1.718 -9.252 1.00 0.00 C ATOM 1516 CE LYS A 477 5.076 0.755 -10.420 1.00 0.00 C ATOM 1517 NZ LYS A 477 4.151 1.344 -11.419 1.00 0.00 N ATOM 0 H LYS A 477 6.983 3.402 -5.152 1.00 0.00 H new ATOM 0 HA LYS A 477 7.051 0.655 -5.625 1.00 0.00 H new ATOM 0 HB2 LYS A 477 5.629 2.386 -6.713 1.00 0.00 H new ATOM 0 HB3 LYS A 477 7.042 3.067 -7.495 1.00 0.00 H new ATOM 0 HG2 LYS A 477 7.345 1.070 -8.865 1.00 0.00 H new ATOM 0 HG3 LYS A 477 6.133 0.190 -7.956 1.00 0.00 H new ATOM 0 HD2 LYS A 477 4.393 1.859 -8.694 1.00 0.00 H new ATOM 0 HD3 LYS A 477 5.611 2.695 -9.636 1.00 0.00 H new ATOM 0 HE2 LYS A 477 6.025 0.513 -10.898 1.00 0.00 H new ATOM 0 HE3 LYS A 477 4.661 -0.180 -10.044 1.00 0.00 H new ATOM 0 HZ1 LYS A 477 3.555 0.594 -11.825 1.00 0.00 H new ATOM 0 HZ2 LYS A 477 3.547 2.054 -10.957 1.00 0.00 H new ATOM 0 HZ3 LYS A 477 4.701 1.797 -12.176 1.00 0.00 H new