USER MOD reduce.3.24.130724 H: found=0, std=0, add=381, rem=0, adj=7 USER MOD reduce.3.24.130724 removed 383 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 Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 CYS SG : rot 180:sc= 0 USER MOD Single : A 35 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 36 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 GLN : amide:sc= -0.0336 X(o=-0.034,f=-0.034) USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 44 GLN : amide:sc= 0 X(o=0,f=-0.17) USER MOD Single : A 48 ASN : amide:sc= 0 X(o=0,f=-0.14) USER MOD Single : A 68 CYS SG : rot 180:sc= 0 USER MOD Single : A 72 ASN : amide:sc= 0 X(o=0,f=-0.11) USER MOD Single : A 73 THR OG1 : rot 64:sc= 0.361 USER MOD Single : A 75 ASN : amide:sc= -0.746 X(o=-0.75,f=-0.3) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 CYS SG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 274 N ILE A 19 9.334 7.050 7.925 1.00 0.00 N ATOM 275 CA ILE A 19 9.842 5.673 7.866 1.00 0.00 C ATOM 276 C ILE A 19 8.697 4.652 7.883 1.00 0.00 C ATOM 277 O ILE A 19 8.797 3.644 7.194 1.00 0.00 O ATOM 278 CB ILE A 19 10.873 5.414 8.988 1.00 0.00 C ATOM 279 CG1 ILE A 19 12.065 6.386 8.833 1.00 0.00 C ATOM 280 CG2 ILE A 19 11.374 3.954 8.976 1.00 0.00 C ATOM 281 CD1 ILE A 19 13.045 6.357 10.006 1.00 0.00 C ATOM 0 HA ILE A 19 10.361 5.545 6.916 1.00 0.00 H new ATOM 0 HB ILE A 19 10.381 5.586 9.945 1.00 0.00 H new ATOM 0 HG12 ILE A 19 12.603 6.142 7.917 1.00 0.00 H new ATOM 0 HG13 ILE A 19 11.682 7.400 8.718 1.00 0.00 H new ATOM 0 HG21 ILE A 19 12.097 3.811 9.779 1.00 0.00 H new ATOM 0 HG22 ILE A 19 10.531 3.279 9.122 1.00 0.00 H new ATOM 0 HG23 ILE A 19 11.848 3.740 8.018 1.00 0.00 H new ATOM 0 HD11 ILE A 19 13.853 7.065 9.823 1.00 0.00 H new ATOM 0 HD12 ILE A 19 12.523 6.631 10.923 1.00 0.00 H new ATOM 0 HD13 ILE A 19 13.459 5.354 10.110 1.00 0.00 H new ATOM 293 N GLU A 20 7.584 4.919 8.572 1.00 0.00 N ATOM 294 CA GLU A 20 6.367 4.092 8.487 1.00 0.00 C ATOM 295 C GLU A 20 5.904 3.878 7.033 1.00 0.00 C ATOM 296 O GLU A 20 5.582 2.754 6.645 1.00 0.00 O ATOM 297 CB GLU A 20 5.225 4.717 9.309 1.00 0.00 C ATOM 298 CG GLU A 20 5.378 4.541 10.828 1.00 0.00 C ATOM 299 CD GLU A 20 5.359 3.066 11.295 1.00 0.00 C ATOM 300 OE1 GLU A 20 4.764 2.193 10.617 1.00 0.00 O ATOM 301 OE2 GLU A 20 5.943 2.766 12.365 1.00 0.00 O ATOM 0 H GLU A 20 7.497 5.713 9.206 1.00 0.00 H new ATOM 0 HA GLU A 20 6.622 3.117 8.902 1.00 0.00 H new ATOM 0 HB2 GLU A 20 5.168 5.781 9.081 1.00 0.00 H new ATOM 0 HB3 GLU A 20 4.280 4.273 8.996 1.00 0.00 H new ATOM 0 HG2 GLU A 20 6.315 5.000 11.144 1.00 0.00 H new ATOM 0 HG3 GLU A 20 4.574 5.080 11.329 1.00 0.00 H new ATOM 308 N ALA A 21 5.915 4.935 6.212 1.00 0.00 N ATOM 309 CA ALA A 21 5.571 4.845 4.794 1.00 0.00 C ATOM 310 C ALA A 21 6.649 4.119 3.962 1.00 0.00 C ATOM 311 O ALA A 21 6.324 3.260 3.136 1.00 0.00 O ATOM 312 CB ALA A 21 5.282 6.250 4.252 1.00 0.00 C ATOM 0 H ALA A 21 6.163 5.876 6.516 1.00 0.00 H new ATOM 0 HA ALA A 21 4.673 4.234 4.701 1.00 0.00 H new ATOM 0 HB1 ALA A 21 5.025 6.186 3.195 1.00 0.00 H new ATOM 0 HB2 ALA A 21 4.449 6.688 4.802 1.00 0.00 H new ATOM 0 HB3 ALA A 21 6.166 6.876 4.374 1.00 0.00 H new ATOM 318 N LYS A 22 7.934 4.428 4.192 1.00 0.00 N ATOM 319 CA LYS A 22 9.072 3.751 3.536 1.00 0.00 C ATOM 320 C LYS A 22 9.065 2.242 3.799 1.00 0.00 C ATOM 321 O LYS A 22 9.146 1.459 2.855 1.00 0.00 O ATOM 322 CB LYS A 22 10.411 4.366 3.976 1.00 0.00 C ATOM 323 CG LYS A 22 10.570 5.835 3.547 1.00 0.00 C ATOM 324 CD LYS A 22 11.885 6.445 4.055 1.00 0.00 C ATOM 325 CE LYS A 22 13.102 5.883 3.306 1.00 0.00 C ATOM 326 NZ LYS A 22 14.379 6.322 3.925 1.00 0.00 N ATOM 0 H LYS A 22 8.219 5.160 4.843 1.00 0.00 H new ATOM 0 HA LYS A 22 8.958 3.902 2.463 1.00 0.00 H new ATOM 0 HB2 LYS A 22 10.496 4.299 5.061 1.00 0.00 H new ATOM 0 HB3 LYS A 22 11.229 3.780 3.556 1.00 0.00 H new ATOM 0 HG2 LYS A 22 10.537 5.900 2.459 1.00 0.00 H new ATOM 0 HG3 LYS A 22 9.730 6.416 3.927 1.00 0.00 H new ATOM 0 HD2 LYS A 22 11.853 7.528 3.936 1.00 0.00 H new ATOM 0 HD3 LYS A 22 11.990 6.245 5.121 1.00 0.00 H new ATOM 0 HE2 LYS A 22 13.055 4.794 3.301 1.00 0.00 H new ATOM 0 HE3 LYS A 22 13.071 6.208 2.266 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 15.178 5.923 3.392 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 14.435 7.360 3.907 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 14.419 5.990 4.910 1.00 0.00 H new ATOM 340 N GLU A 23 8.916 1.837 5.060 1.00 0.00 N ATOM 341 CA GLU A 23 8.760 0.444 5.498 1.00 0.00 C ATOM 342 C GLU A 23 7.576 -0.234 4.809 1.00 0.00 C ATOM 343 O GLU A 23 7.760 -1.290 4.216 1.00 0.00 O ATOM 344 CB GLU A 23 8.580 0.360 7.024 1.00 0.00 C ATOM 345 CG GLU A 23 9.890 0.523 7.803 1.00 0.00 C ATOM 346 CD GLU A 23 10.832 -0.684 7.617 1.00 0.00 C ATOM 347 OE1 GLU A 23 10.504 -1.799 8.093 1.00 0.00 O ATOM 348 OE2 GLU A 23 11.917 -0.523 7.008 1.00 0.00 O ATOM 0 H GLU A 23 8.900 2.495 5.839 1.00 0.00 H new ATOM 0 HA GLU A 23 9.673 -0.080 5.216 1.00 0.00 H new ATOM 0 HB2 GLU A 23 7.879 1.131 7.342 1.00 0.00 H new ATOM 0 HB3 GLU A 23 8.133 -0.601 7.277 1.00 0.00 H new ATOM 0 HG2 GLU A 23 10.396 1.431 7.474 1.00 0.00 H new ATOM 0 HG3 GLU A 23 9.668 0.648 8.863 1.00 0.00 H new ATOM 355 N ALA A 24 6.378 0.359 4.840 1.00 0.00 N ATOM 356 CA ALA A 24 5.188 -0.198 4.192 1.00 0.00 C ATOM 357 C ALA A 24 5.400 -0.530 2.698 1.00 0.00 C ATOM 358 O ALA A 24 5.019 -1.611 2.238 1.00 0.00 O ATOM 359 CB ALA A 24 4.041 0.797 4.391 1.00 0.00 C ATOM 0 H ALA A 24 6.207 1.244 5.318 1.00 0.00 H new ATOM 0 HA ALA A 24 4.952 -1.156 4.656 1.00 0.00 H new ATOM 0 HB1 ALA A 24 3.138 0.410 3.919 1.00 0.00 H new ATOM 0 HB2 ALA A 24 3.862 0.937 5.457 1.00 0.00 H new ATOM 0 HB3 ALA A 24 4.306 1.753 3.939 1.00 0.00 H new ATOM 365 N CYS A 25 6.022 0.384 1.947 1.00 0.00 N ATOM 366 CA CYS A 25 6.346 0.203 0.532 1.00 0.00 C ATOM 367 C CYS A 25 7.472 -0.834 0.305 1.00 0.00 C ATOM 368 O CYS A 25 7.306 -1.782 -0.463 1.00 0.00 O ATOM 369 CB CYS A 25 6.683 1.584 -0.044 1.00 0.00 C ATOM 370 SG CYS A 25 6.646 1.505 -1.858 1.00 0.00 S ATOM 0 H CYS A 25 6.320 1.288 2.315 1.00 0.00 H new ATOM 0 HA CYS A 25 5.488 -0.215 0.006 1.00 0.00 H new ATOM 0 HB2 CYS A 25 5.967 2.324 0.314 1.00 0.00 H new ATOM 0 HB3 CYS A 25 7.668 1.902 0.297 1.00 0.00 H new ATOM 0 HG CYS A 25 6.929 2.675 -2.349 1.00 0.00 H new ATOM 376 N ASP A 26 8.615 -0.689 0.985 1.00 0.00 N ATOM 377 CA ASP A 26 9.776 -1.588 0.873 1.00 0.00 C ATOM 378 C ASP A 26 9.464 -3.034 1.307 1.00 0.00 C ATOM 379 O ASP A 26 9.871 -3.991 0.641 1.00 0.00 O ATOM 380 CB ASP A 26 10.932 -1.013 1.702 1.00 0.00 C ATOM 381 CG ASP A 26 12.220 -1.837 1.538 1.00 0.00 C ATOM 382 OD1 ASP A 26 12.889 -1.708 0.484 1.00 0.00 O ATOM 383 OD2 ASP A 26 12.578 -2.600 2.467 1.00 0.00 O ATOM 0 H ASP A 26 8.765 0.074 1.645 1.00 0.00 H new ATOM 0 HA ASP A 26 10.054 -1.643 -0.179 1.00 0.00 H new ATOM 0 HB2 ASP A 26 11.119 0.017 1.399 1.00 0.00 H new ATOM 0 HB3 ASP A 26 10.648 -0.989 2.754 1.00 0.00 H new ATOM 388 N TRP A 27 8.700 -3.202 2.389 1.00 0.00 N ATOM 389 CA TRP A 27 8.238 -4.493 2.902 1.00 0.00 C ATOM 390 C TRP A 27 7.427 -5.273 1.861 1.00 0.00 C ATOM 391 O TRP A 27 7.647 -6.470 1.694 1.00 0.00 O ATOM 392 CB TRP A 27 7.414 -4.291 4.182 1.00 0.00 C ATOM 393 CG TRP A 27 6.860 -5.565 4.730 1.00 0.00 C ATOM 394 CD1 TRP A 27 7.495 -6.388 5.592 1.00 0.00 C ATOM 395 CD2 TRP A 27 5.624 -6.242 4.345 1.00 0.00 C ATOM 396 NE1 TRP A 27 6.755 -7.546 5.744 1.00 0.00 N ATOM 397 CE2 TRP A 27 5.633 -7.534 4.944 1.00 0.00 C ATOM 398 CE3 TRP A 27 4.532 -5.924 3.508 1.00 0.00 C ATOM 399 CZ2 TRP A 27 4.644 -8.484 4.673 1.00 0.00 C ATOM 400 CZ3 TRP A 27 3.521 -6.867 3.241 1.00 0.00 C ATOM 401 CH2 TRP A 27 3.584 -8.151 3.808 1.00 0.00 C ATOM 0 H TRP A 27 8.375 -2.415 2.951 1.00 0.00 H new ATOM 0 HA TRP A 27 9.122 -5.088 3.133 1.00 0.00 H new ATOM 0 HB2 TRP A 27 8.040 -3.819 4.939 1.00 0.00 H new ATOM 0 HB3 TRP A 27 6.593 -3.605 3.974 1.00 0.00 H new ATOM 0 HD1 TRP A 27 8.432 -6.175 6.085 1.00 0.00 H new ATOM 0 HE1 TRP A 27 7.007 -8.312 6.369 1.00 0.00 H new ATOM 0 HE3 TRP A 27 4.471 -4.941 3.065 1.00 0.00 H new ATOM 0 HZ2 TRP A 27 4.692 -9.465 5.123 1.00 0.00 H new ATOM 0 HZ3 TRP A 27 2.694 -6.602 2.598 1.00 0.00 H new ATOM 0 HH2 TRP A 27 2.821 -8.881 3.581 1.00 0.00 H new ATOM 412 N LEU A 28 6.517 -4.614 1.137 1.00 0.00 N ATOM 413 CA LEU A 28 5.681 -5.247 0.110 1.00 0.00 C ATOM 414 C LEU A 28 6.516 -5.922 -0.992 1.00 0.00 C ATOM 415 O LEU A 28 6.251 -7.065 -1.378 1.00 0.00 O ATOM 416 CB LEU A 28 4.744 -4.186 -0.492 1.00 0.00 C ATOM 417 CG LEU A 28 3.272 -4.320 -0.083 1.00 0.00 C ATOM 418 CD1 LEU A 28 2.542 -3.095 -0.637 1.00 0.00 C ATOM 419 CD2 LEU A 28 2.664 -5.605 -0.651 1.00 0.00 C ATOM 0 H LEU A 28 6.338 -3.616 1.248 1.00 0.00 H new ATOM 0 HA LEU A 28 5.098 -6.038 0.583 1.00 0.00 H new ATOM 0 HB2 LEU A 28 5.100 -3.199 -0.197 1.00 0.00 H new ATOM 0 HB3 LEU A 28 4.811 -4.238 -1.579 1.00 0.00 H new ATOM 0 HG LEU A 28 3.179 -4.373 1.002 1.00 0.00 H new ATOM 0 HD11 LEU A 28 1.487 -3.148 -0.369 1.00 0.00 H new ATOM 0 HD12 LEU A 28 2.978 -2.190 -0.215 1.00 0.00 H new ATOM 0 HD13 LEU A 28 2.640 -3.073 -1.722 1.00 0.00 H new ATOM 0 HD21 LEU A 28 1.620 -5.678 -0.348 1.00 0.00 H new ATOM 0 HD22 LEU A 28 2.725 -5.587 -1.739 1.00 0.00 H new ATOM 0 HD23 LEU A 28 3.213 -6.466 -0.271 1.00 0.00 H new ATOM 431 N ARG A 29 7.557 -5.226 -1.470 1.00 0.00 N ATOM 432 CA ARG A 29 8.570 -5.772 -2.382 1.00 0.00 C ATOM 433 C ARG A 29 9.337 -6.940 -1.751 1.00 0.00 C ATOM 434 O ARG A 29 9.417 -8.005 -2.362 1.00 0.00 O ATOM 435 CB ARG A 29 9.472 -4.625 -2.878 1.00 0.00 C ATOM 436 CG ARG A 29 10.713 -5.113 -3.646 1.00 0.00 C ATOM 437 CD ARG A 29 11.317 -3.989 -4.501 1.00 0.00 C ATOM 438 NE ARG A 29 12.640 -4.364 -5.042 1.00 0.00 N ATOM 439 CZ ARG A 29 12.923 -5.205 -6.023 1.00 0.00 C ATOM 440 NH1 ARG A 29 12.001 -5.835 -6.696 1.00 0.00 N ATOM 441 NH2 ARG A 29 14.163 -5.434 -6.349 1.00 0.00 N ATOM 0 H ARG A 29 7.721 -4.249 -1.228 1.00 0.00 H new ATOM 0 HA ARG A 29 8.084 -6.207 -3.255 1.00 0.00 H new ATOM 0 HB2 ARG A 29 8.890 -3.968 -3.523 1.00 0.00 H new ATOM 0 HB3 ARG A 29 9.793 -4.030 -2.023 1.00 0.00 H new ATOM 0 HG2 ARG A 29 11.460 -5.478 -2.941 1.00 0.00 H new ATOM 0 HG3 ARG A 29 10.441 -5.953 -4.285 1.00 0.00 H new ATOM 0 HD2 ARG A 29 10.641 -3.754 -5.323 1.00 0.00 H new ATOM 0 HD3 ARG A 29 11.413 -3.085 -3.899 1.00 0.00 H new ATOM 0 HE ARG A 29 13.442 -3.914 -4.600 1.00 0.00 H new ATOM 0 HH11 ARG A 29 11.017 -5.688 -6.473 1.00 0.00 H new ATOM 0 HH12 ARG A 29 12.264 -6.475 -7.445 1.00 0.00 H new ATOM 0 HH21 ARG A 29 14.917 -4.965 -5.848 1.00 0.00 H new ATOM 0 HH22 ARG A 29 14.380 -6.083 -7.106 1.00 0.00 H new ATOM 455 N ALA A 30 9.854 -6.772 -0.532 1.00 0.00 N ATOM 456 CA ALA A 30 10.583 -7.816 0.200 1.00 0.00 C ATOM 457 C ALA A 30 9.751 -9.100 0.444 1.00 0.00 C ATOM 458 O ALA A 30 10.292 -10.210 0.410 1.00 0.00 O ATOM 459 CB ALA A 30 11.082 -7.220 1.524 1.00 0.00 C ATOM 0 H ALA A 30 9.778 -5.895 -0.016 1.00 0.00 H new ATOM 0 HA ALA A 30 11.422 -8.136 -0.418 1.00 0.00 H new ATOM 0 HB1 ALA A 30 11.627 -7.981 2.083 1.00 0.00 H new ATOM 0 HB2 ALA A 30 11.743 -6.378 1.318 1.00 0.00 H new ATOM 0 HB3 ALA A 30 10.231 -6.877 2.112 1.00 0.00 H new ATOM 465 N ALA A 31 8.440 -8.965 0.663 1.00 0.00 N ATOM 466 CA ALA A 31 7.490 -10.052 0.912 1.00 0.00 C ATOM 467 C ALA A 31 7.193 -10.934 -0.320 1.00 0.00 C ATOM 468 O ALA A 31 6.699 -12.053 -0.163 1.00 0.00 O ATOM 469 CB ALA A 31 6.194 -9.426 1.434 1.00 0.00 C ATOM 0 H ALA A 31 7.991 -8.049 0.672 1.00 0.00 H new ATOM 0 HA ALA A 31 7.943 -10.725 1.640 1.00 0.00 H new ATOM 0 HB1 ALA A 31 5.464 -10.211 1.630 1.00 0.00 H new ATOM 0 HB2 ALA A 31 6.398 -8.882 2.356 1.00 0.00 H new ATOM 0 HB3 ALA A 31 5.796 -8.738 0.688 1.00 0.00 H new ATOM 475 N GLY A 32 7.484 -10.451 -1.535 1.00 0.00 N ATOM 476 CA GLY A 32 7.274 -11.169 -2.800 1.00 0.00 C ATOM 477 C GLY A 32 6.171 -10.603 -3.705 1.00 0.00 C ATOM 478 O GLY A 32 5.928 -11.172 -4.771 1.00 0.00 O ATOM 0 H GLY A 32 7.884 -9.522 -1.669 1.00 0.00 H new ATOM 0 HA2 GLY A 32 8.211 -11.171 -3.357 1.00 0.00 H new ATOM 0 HA3 GLY A 32 7.036 -12.208 -2.573 1.00 0.00 H new ATOM 482 N PHE A 33 5.524 -9.490 -3.327 1.00 0.00 N ATOM 483 CA PHE A 33 4.476 -8.823 -4.118 1.00 0.00 C ATOM 484 C PHE A 33 4.812 -7.337 -4.404 1.00 0.00 C ATOM 485 O PHE A 33 4.070 -6.437 -3.993 1.00 0.00 O ATOM 486 CB PHE A 33 3.103 -9.023 -3.443 1.00 0.00 C ATOM 487 CG PHE A 33 2.722 -10.463 -3.122 1.00 0.00 C ATOM 488 CD1 PHE A 33 2.711 -11.447 -4.132 1.00 0.00 C ATOM 489 CD2 PHE A 33 2.366 -10.820 -1.806 1.00 0.00 C ATOM 490 CE1 PHE A 33 2.373 -12.777 -3.823 1.00 0.00 C ATOM 491 CE2 PHE A 33 2.017 -12.148 -1.501 1.00 0.00 C ATOM 492 CZ PHE A 33 2.026 -13.130 -2.507 1.00 0.00 C ATOM 0 H PHE A 33 5.718 -9.018 -2.444 1.00 0.00 H new ATOM 0 HA PHE A 33 4.428 -9.291 -5.101 1.00 0.00 H new ATOM 0 HB2 PHE A 33 3.088 -8.449 -2.517 1.00 0.00 H new ATOM 0 HB3 PHE A 33 2.336 -8.601 -4.092 1.00 0.00 H new ATOM 0 HD1 PHE A 33 2.963 -11.178 -5.147 1.00 0.00 H new ATOM 0 HD2 PHE A 33 2.361 -10.071 -1.028 1.00 0.00 H new ATOM 0 HE1 PHE A 33 2.380 -13.529 -4.598 1.00 0.00 H new ATOM 0 HE2 PHE A 33 1.741 -12.414 -0.491 1.00 0.00 H new ATOM 0 HZ PHE A 33 1.767 -14.151 -2.270 1.00 0.00 H new ATOM 502 N PRO A 34 5.898 -7.044 -5.155 1.00 0.00 N ATOM 503 CA PRO A 34 6.307 -5.673 -5.491 1.00 0.00 C ATOM 504 C PRO A 34 5.313 -4.937 -6.402 1.00 0.00 C ATOM 505 O PRO A 34 5.348 -3.708 -6.476 1.00 0.00 O ATOM 506 CB PRO A 34 7.670 -5.808 -6.180 1.00 0.00 C ATOM 507 CG PRO A 34 7.628 -7.205 -6.789 1.00 0.00 C ATOM 508 CD PRO A 34 6.814 -7.998 -5.770 1.00 0.00 C ATOM 0 HA PRO A 34 6.348 -5.069 -4.584 1.00 0.00 H new ATOM 0 HB2 PRO A 34 7.811 -5.042 -6.943 1.00 0.00 H new ATOM 0 HB3 PRO A 34 8.490 -5.705 -5.470 1.00 0.00 H new ATOM 0 HG2 PRO A 34 7.155 -7.203 -7.771 1.00 0.00 H new ATOM 0 HG3 PRO A 34 8.628 -7.620 -6.918 1.00 0.00 H new ATOM 0 HD2 PRO A 34 6.267 -8.808 -6.253 1.00 0.00 H new ATOM 0 HD3 PRO A 34 7.463 -8.453 -5.022 1.00 0.00 H new ATOM 516 N GLN A 35 4.403 -5.666 -7.058 1.00 0.00 N ATOM 517 CA GLN A 35 3.306 -5.115 -7.855 1.00 0.00 C ATOM 518 C GLN A 35 2.496 -4.058 -7.090 1.00 0.00 C ATOM 519 O GLN A 35 2.199 -3.004 -7.643 1.00 0.00 O ATOM 520 CB GLN A 35 2.421 -6.256 -8.395 1.00 0.00 C ATOM 521 CG GLN A 35 1.677 -7.073 -7.319 1.00 0.00 C ATOM 522 CD GLN A 35 1.026 -8.322 -7.910 1.00 0.00 C ATOM 523 OE1 GLN A 35 1.676 -9.324 -8.179 1.00 0.00 O ATOM 524 NE2 GLN A 35 -0.270 -8.318 -8.141 1.00 0.00 N ATOM 0 H GLN A 35 4.412 -6.686 -7.047 1.00 0.00 H new ATOM 0 HA GLN A 35 3.739 -4.589 -8.706 1.00 0.00 H new ATOM 0 HB2 GLN A 35 1.686 -5.832 -9.080 1.00 0.00 H new ATOM 0 HB3 GLN A 35 3.045 -6.934 -8.977 1.00 0.00 H new ATOM 0 HG2 GLN A 35 2.376 -7.363 -6.534 1.00 0.00 H new ATOM 0 HG3 GLN A 35 0.914 -6.451 -6.852 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -0.825 -7.490 -7.922 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -0.720 -9.143 -8.539 1.00 0.00 H new ATOM 533 N TYR A 36 2.184 -4.296 -5.810 1.00 0.00 N ATOM 534 CA TYR A 36 1.459 -3.336 -4.978 1.00 0.00 C ATOM 535 C TYR A 36 2.337 -2.133 -4.607 1.00 0.00 C ATOM 536 O TYR A 36 1.897 -0.999 -4.773 1.00 0.00 O ATOM 537 CB TYR A 36 0.887 -4.040 -3.741 1.00 0.00 C ATOM 538 CG TYR A 36 -0.019 -5.217 -4.062 1.00 0.00 C ATOM 539 CD1 TYR A 36 -1.153 -5.035 -4.880 1.00 0.00 C ATOM 540 CD2 TYR A 36 0.287 -6.502 -3.570 1.00 0.00 C ATOM 541 CE1 TYR A 36 -1.955 -6.135 -5.232 1.00 0.00 C ATOM 542 CE2 TYR A 36 -0.520 -7.605 -3.911 1.00 0.00 C ATOM 543 CZ TYR A 36 -1.638 -7.424 -4.755 1.00 0.00 C ATOM 544 OH TYR A 36 -2.404 -8.483 -5.129 1.00 0.00 O ATOM 0 H TYR A 36 2.428 -5.160 -5.325 1.00 0.00 H new ATOM 0 HA TYR A 36 0.624 -2.938 -5.554 1.00 0.00 H new ATOM 0 HB2 TYR A 36 1.712 -4.389 -3.120 1.00 0.00 H new ATOM 0 HB3 TYR A 36 0.328 -3.315 -3.149 1.00 0.00 H new ATOM 0 HD1 TYR A 36 -1.406 -4.048 -5.237 1.00 0.00 H new ATOM 0 HD2 TYR A 36 1.144 -6.642 -2.928 1.00 0.00 H new ATOM 0 HE1 TYR A 36 -2.816 -5.993 -5.869 1.00 0.00 H new ATOM 0 HE2 TYR A 36 -0.284 -8.587 -3.528 1.00 0.00 H new ATOM 0 HH TYR A 36 -2.055 -9.301 -4.717 1.00 0.00 H new ATOM 554 N ALA A 37 3.592 -2.353 -4.190 1.00 0.00 N ATOM 555 CA ALA A 37 4.550 -1.285 -3.866 1.00 0.00 C ATOM 556 C ALA A 37 4.719 -0.277 -5.019 1.00 0.00 C ATOM 557 O ALA A 37 4.621 0.935 -4.821 1.00 0.00 O ATOM 558 CB ALA A 37 5.895 -1.915 -3.484 1.00 0.00 C ATOM 0 H ALA A 37 3.976 -3.290 -4.066 1.00 0.00 H new ATOM 0 HA ALA A 37 4.157 -0.719 -3.022 1.00 0.00 H new ATOM 0 HB1 ALA A 37 6.610 -1.128 -3.243 1.00 0.00 H new ATOM 0 HB2 ALA A 37 5.761 -2.562 -2.617 1.00 0.00 H new ATOM 0 HB3 ALA A 37 6.272 -2.503 -4.321 1.00 0.00 H new ATOM 564 N GLN A 38 4.919 -0.779 -6.242 1.00 0.00 N ATOM 565 CA GLN A 38 5.059 0.027 -7.460 1.00 0.00 C ATOM 566 C GLN A 38 3.818 0.874 -7.810 1.00 0.00 C ATOM 567 O GLN A 38 3.945 1.859 -8.537 1.00 0.00 O ATOM 568 CB GLN A 38 5.435 -0.903 -8.628 1.00 0.00 C ATOM 569 CG GLN A 38 6.918 -1.313 -8.595 1.00 0.00 C ATOM 570 CD GLN A 38 7.839 -0.161 -9.005 1.00 0.00 C ATOM 571 OE1 GLN A 38 7.951 0.198 -10.170 1.00 0.00 O ATOM 572 NE2 GLN A 38 8.526 0.474 -8.077 1.00 0.00 N ATOM 0 H GLN A 38 4.990 -1.781 -6.417 1.00 0.00 H new ATOM 0 HA GLN A 38 5.849 0.755 -7.273 1.00 0.00 H new ATOM 0 HB2 GLN A 38 4.812 -1.797 -8.592 1.00 0.00 H new ATOM 0 HB3 GLN A 38 5.220 -0.402 -9.572 1.00 0.00 H new ATOM 0 HG2 GLN A 38 7.180 -1.647 -7.591 1.00 0.00 H new ATOM 0 HG3 GLN A 38 7.076 -2.159 -9.264 1.00 0.00 H new ATOM 0 HE21 GLN A 38 8.447 0.191 -7.100 1.00 0.00 H new ATOM 0 HE22 GLN A 38 9.137 1.249 -8.335 1.00 0.00 H new ATOM 581 N LEU A 39 2.634 0.553 -7.272 1.00 0.00 N ATOM 582 CA LEU A 39 1.395 1.320 -7.466 1.00 0.00 C ATOM 583 C LEU A 39 1.236 2.508 -6.490 1.00 0.00 C ATOM 584 O LEU A 39 0.258 3.250 -6.599 1.00 0.00 O ATOM 585 CB LEU A 39 0.190 0.356 -7.416 1.00 0.00 C ATOM 586 CG LEU A 39 0.134 -0.637 -8.597 1.00 0.00 C ATOM 587 CD1 LEU A 39 -0.910 -1.725 -8.331 1.00 0.00 C ATOM 588 CD2 LEU A 39 -0.206 0.023 -9.935 1.00 0.00 C ATOM 0 H LEU A 39 2.507 -0.265 -6.676 1.00 0.00 H new ATOM 0 HA LEU A 39 1.445 1.787 -8.450 1.00 0.00 H new ATOM 0 HB2 LEU A 39 0.225 -0.206 -6.483 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -0.730 0.940 -7.401 1.00 0.00 H new ATOM 0 HG LEU A 39 1.137 -1.058 -8.671 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -0.937 -2.417 -9.173 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -0.646 -2.268 -7.423 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -1.891 -1.266 -8.207 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -0.228 -0.734 -10.719 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -1.182 0.503 -9.866 1.00 0.00 H new ATOM 0 HD23 LEU A 39 0.550 0.771 -10.174 1.00 0.00 H new ATOM 600 N TYR A 40 2.178 2.728 -5.559 1.00 0.00 N ATOM 601 CA TYR A 40 2.159 3.867 -4.625 1.00 0.00 C ATOM 602 C TYR A 40 2.217 5.218 -5.350 1.00 0.00 C ATOM 603 O TYR A 40 1.294 6.028 -5.239 1.00 0.00 O ATOM 604 CB TYR A 40 3.307 3.749 -3.604 1.00 0.00 C ATOM 605 CG TYR A 40 3.401 4.875 -2.581 1.00 0.00 C ATOM 606 CD1 TYR A 40 2.239 5.422 -1.994 1.00 0.00 C ATOM 607 CD2 TYR A 40 4.666 5.357 -2.194 1.00 0.00 C ATOM 608 CE1 TYR A 40 2.340 6.452 -1.038 1.00 0.00 C ATOM 609 CE2 TYR A 40 4.773 6.377 -1.226 1.00 0.00 C ATOM 610 CZ TYR A 40 3.611 6.928 -0.646 1.00 0.00 C ATOM 611 OH TYR A 40 3.724 7.909 0.291 1.00 0.00 O ATOM 0 H TYR A 40 2.983 2.114 -5.432 1.00 0.00 H new ATOM 0 HA TYR A 40 1.208 3.830 -4.094 1.00 0.00 H new ATOM 0 HB2 TYR A 40 3.197 2.806 -3.069 1.00 0.00 H new ATOM 0 HB3 TYR A 40 4.250 3.699 -4.149 1.00 0.00 H new ATOM 0 HD1 TYR A 40 1.267 5.048 -2.280 1.00 0.00 H new ATOM 0 HD2 TYR A 40 5.558 4.944 -2.640 1.00 0.00 H new ATOM 0 HE1 TYR A 40 1.447 6.877 -0.605 1.00 0.00 H new ATOM 0 HE2 TYR A 40 5.747 6.737 -0.928 1.00 0.00 H new ATOM 0 HH TYR A 40 4.671 8.112 0.439 1.00 0.00 H new ATOM 621 N GLU A 41 3.286 5.469 -6.114 1.00 0.00 N ATOM 622 CA GLU A 41 3.497 6.737 -6.834 1.00 0.00 C ATOM 623 C GLU A 41 2.471 6.964 -7.964 1.00 0.00 C ATOM 624 O GLU A 41 2.158 8.104 -8.306 1.00 0.00 O ATOM 625 CB GLU A 41 4.924 6.792 -7.403 1.00 0.00 C ATOM 626 CG GLU A 41 6.004 6.680 -6.317 1.00 0.00 C ATOM 627 CD GLU A 41 7.405 6.950 -6.898 1.00 0.00 C ATOM 628 OE1 GLU A 41 7.979 6.052 -7.561 1.00 0.00 O ATOM 629 OE2 GLU A 41 7.951 8.064 -6.691 1.00 0.00 O ATOM 0 H GLU A 41 4.038 4.794 -6.253 1.00 0.00 H new ATOM 0 HA GLU A 41 3.355 7.538 -6.109 1.00 0.00 H new ATOM 0 HB2 GLU A 41 5.054 5.984 -8.123 1.00 0.00 H new ATOM 0 HB3 GLU A 41 5.058 7.727 -7.946 1.00 0.00 H new ATOM 0 HG2 GLU A 41 5.795 7.391 -5.518 1.00 0.00 H new ATOM 0 HG3 GLU A 41 5.976 5.685 -5.874 1.00 0.00 H new ATOM 636 N ASP A 42 1.901 5.884 -8.509 1.00 0.00 N ATOM 637 CA ASP A 42 0.783 5.895 -9.463 1.00 0.00 C ATOM 638 C ASP A 42 -0.586 6.209 -8.815 1.00 0.00 C ATOM 639 O ASP A 42 -1.575 6.392 -9.527 1.00 0.00 O ATOM 640 CB ASP A 42 0.737 4.545 -10.202 1.00 0.00 C ATOM 641 CG ASP A 42 1.812 4.466 -11.298 1.00 0.00 C ATOM 642 OD1 ASP A 42 2.970 4.086 -11.003 1.00 0.00 O ATOM 643 OD2 ASP A 42 1.500 4.785 -12.471 1.00 0.00 O ATOM 0 H ASP A 42 2.218 4.939 -8.290 1.00 0.00 H new ATOM 0 HA ASP A 42 0.967 6.708 -10.165 1.00 0.00 H new ATOM 0 HB2 ASP A 42 0.883 3.734 -9.489 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -0.248 4.406 -10.647 1.00 0.00 H new ATOM 648 N SER A 43 -0.658 6.306 -7.480 1.00 0.00 N ATOM 649 CA SER A 43 -1.876 6.552 -6.688 1.00 0.00 C ATOM 650 C SER A 43 -2.943 5.447 -6.838 1.00 0.00 C ATOM 651 O SER A 43 -4.145 5.708 -6.922 1.00 0.00 O ATOM 652 CB SER A 43 -2.407 7.969 -6.961 1.00 0.00 C ATOM 653 OG SER A 43 -3.177 8.429 -5.862 1.00 0.00 O ATOM 0 H SER A 43 0.171 6.211 -6.893 1.00 0.00 H new ATOM 0 HA SER A 43 -1.603 6.502 -5.634 1.00 0.00 H new ATOM 0 HB2 SER A 43 -1.574 8.649 -7.139 1.00 0.00 H new ATOM 0 HB3 SER A 43 -3.016 7.968 -7.865 1.00 0.00 H new ATOM 0 HG SER A 43 -3.507 9.333 -6.049 1.00 0.00 H new ATOM 659 N GLN A 44 -2.497 4.185 -6.875 1.00 0.00 N ATOM 660 CA GLN A 44 -3.330 2.982 -7.036 1.00 0.00 C ATOM 661 C GLN A 44 -3.105 1.940 -5.918 1.00 0.00 C ATOM 662 O GLN A 44 -3.334 0.749 -6.119 1.00 0.00 O ATOM 663 CB GLN A 44 -3.159 2.395 -8.453 1.00 0.00 C ATOM 664 CG GLN A 44 -3.536 3.382 -9.568 1.00 0.00 C ATOM 665 CD GLN A 44 -3.736 2.686 -10.914 1.00 0.00 C ATOM 666 OE1 GLN A 44 -2.845 2.053 -11.467 1.00 0.00 O ATOM 667 NE2 GLN A 44 -4.913 2.771 -11.499 1.00 0.00 N ATOM 0 H GLN A 44 -1.505 3.963 -6.790 1.00 0.00 H new ATOM 0 HA GLN A 44 -4.372 3.283 -6.928 1.00 0.00 H new ATOM 0 HB2 GLN A 44 -2.123 2.084 -8.587 1.00 0.00 H new ATOM 0 HB3 GLN A 44 -3.775 1.501 -8.545 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -4.451 3.906 -9.293 1.00 0.00 H new ATOM 0 HG3 GLN A 44 -2.754 4.135 -9.663 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -5.667 3.294 -11.054 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -5.070 2.314 -12.397 1.00 0.00 H new ATOM 676 N PHE A 45 -2.667 2.369 -4.728 1.00 0.00 N ATOM 677 CA PHE A 45 -2.655 1.554 -3.498 1.00 0.00 C ATOM 678 C PHE A 45 -4.056 1.062 -3.055 1.00 0.00 C ATOM 679 O PHE A 45 -4.209 -0.145 -2.839 1.00 0.00 O ATOM 680 CB PHE A 45 -1.933 2.306 -2.358 1.00 0.00 C ATOM 681 CG PHE A 45 -0.668 1.626 -1.874 1.00 0.00 C ATOM 682 CD1 PHE A 45 0.388 1.401 -2.773 1.00 0.00 C ATOM 683 CD2 PHE A 45 -0.526 1.238 -0.527 1.00 0.00 C ATOM 684 CE1 PHE A 45 1.584 0.816 -2.328 1.00 0.00 C ATOM 685 CE2 PHE A 45 0.671 0.641 -0.087 1.00 0.00 C ATOM 686 CZ PHE A 45 1.727 0.432 -0.986 1.00 0.00 C ATOM 0 H PHE A 45 -2.303 3.311 -4.586 1.00 0.00 H new ATOM 0 HA PHE A 45 -2.097 0.649 -3.737 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -1.685 3.311 -2.700 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -2.619 2.415 -1.518 1.00 0.00 H new ATOM 0 HD1 PHE A 45 0.279 1.679 -3.811 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -1.336 1.399 0.169 1.00 0.00 H new ATOM 0 HE1 PHE A 45 2.397 0.661 -3.021 1.00 0.00 H new ATOM 0 HE2 PHE A 45 0.776 0.343 0.946 1.00 0.00 H new ATOM 0 HZ PHE A 45 2.646 -0.022 -0.647 1.00 0.00 H new ATOM 696 N PRO A 46 -5.084 1.932 -2.907 1.00 0.00 N ATOM 697 CA PRO A 46 -6.429 1.513 -2.504 1.00 0.00 C ATOM 698 C PRO A 46 -7.190 0.831 -3.659 1.00 0.00 C ATOM 699 O PRO A 46 -7.972 1.459 -4.376 1.00 0.00 O ATOM 700 CB PRO A 46 -7.120 2.780 -1.989 1.00 0.00 C ATOM 701 CG PRO A 46 -6.440 3.907 -2.757 1.00 0.00 C ATOM 702 CD PRO A 46 -5.021 3.390 -2.985 1.00 0.00 C ATOM 0 HA PRO A 46 -6.399 0.752 -1.724 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -8.193 2.756 -2.181 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -6.991 2.896 -0.913 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -6.947 4.111 -3.700 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -6.440 4.836 -2.187 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -4.645 3.709 -3.957 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -4.339 3.788 -2.233 1.00 0.00 H new ATOM 710 N ILE A 47 -6.960 -0.474 -3.834 1.00 0.00 N ATOM 711 CA ILE A 47 -7.634 -1.340 -4.818 1.00 0.00 C ATOM 712 C ILE A 47 -8.113 -2.650 -4.169 1.00 0.00 C ATOM 713 O ILE A 47 -7.484 -3.702 -4.293 1.00 0.00 O ATOM 714 CB ILE A 47 -6.770 -1.575 -6.083 1.00 0.00 C ATOM 715 CG1 ILE A 47 -5.335 -2.069 -5.780 1.00 0.00 C ATOM 716 CG2 ILE A 47 -6.733 -0.293 -6.937 1.00 0.00 C ATOM 717 CD1 ILE A 47 -4.688 -2.788 -6.971 1.00 0.00 C ATOM 0 H ILE A 47 -6.273 -0.980 -3.274 1.00 0.00 H new ATOM 0 HA ILE A 47 -8.524 -0.814 -5.164 1.00 0.00 H new ATOM 0 HB ILE A 47 -7.248 -2.382 -6.639 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -4.716 -1.218 -5.495 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -5.361 -2.744 -4.925 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -6.124 -0.465 -7.825 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -7.746 -0.027 -7.238 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -6.302 0.521 -6.353 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -3.683 -3.111 -6.699 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -5.288 -3.657 -7.241 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -4.632 -2.107 -7.820 1.00 0.00 H new ATOM 729 N ASN A 48 -9.252 -2.583 -3.471 1.00 0.00 N ATOM 730 CA ASN A 48 -9.921 -3.718 -2.819 1.00 0.00 C ATOM 731 C ASN A 48 -8.960 -4.527 -1.919 1.00 0.00 C ATOM 732 O ASN A 48 -8.693 -5.703 -2.176 1.00 0.00 O ATOM 733 CB ASN A 48 -10.624 -4.595 -3.886 1.00 0.00 C ATOM 734 CG ASN A 48 -11.610 -3.858 -4.781 1.00 0.00 C ATOM 735 OD1 ASN A 48 -11.253 -3.046 -5.625 1.00 0.00 O ATOM 736 ND2 ASN A 48 -12.890 -4.133 -4.654 1.00 0.00 N ATOM 0 H ASN A 48 -9.753 -1.705 -3.339 1.00 0.00 H new ATOM 0 HA ASN A 48 -10.685 -3.329 -2.146 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -9.862 -5.056 -4.514 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -11.151 -5.403 -3.379 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -13.573 -3.672 -5.255 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -13.200 -4.808 -3.955 1.00 0.00 H new ATOM 743 N ILE A 49 -8.432 -3.915 -0.849 1.00 0.00 N ATOM 744 CA ILE A 49 -7.429 -4.555 0.032 1.00 0.00 C ATOM 745 C ILE A 49 -7.961 -5.862 0.656 1.00 0.00 C ATOM 746 O ILE A 49 -7.181 -6.776 0.900 1.00 0.00 O ATOM 747 CB ILE A 49 -6.886 -3.578 1.108 1.00 0.00 C ATOM 748 CG1 ILE A 49 -6.214 -2.351 0.447 1.00 0.00 C ATOM 749 CG2 ILE A 49 -5.846 -4.264 2.021 1.00 0.00 C ATOM 750 CD1 ILE A 49 -6.015 -1.176 1.411 1.00 0.00 C ATOM 0 H ILE A 49 -8.683 -2.968 -0.566 1.00 0.00 H new ATOM 0 HA ILE A 49 -6.583 -4.825 -0.600 1.00 0.00 H new ATOM 0 HB ILE A 49 -7.741 -3.261 1.706 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -5.246 -2.649 0.044 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -6.823 -2.022 -0.395 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -5.487 -3.551 2.763 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -6.309 -5.112 2.527 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -5.008 -4.614 1.419 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -5.539 -0.349 0.884 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -6.982 -0.853 1.795 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -5.381 -1.489 2.241 1.00 0.00 H new ATOM 762 N VAL A 50 -9.276 -6.015 0.854 1.00 0.00 N ATOM 763 CA VAL A 50 -9.885 -7.285 1.308 1.00 0.00 C ATOM 764 C VAL A 50 -9.776 -8.400 0.251 1.00 0.00 C ATOM 765 O VAL A 50 -9.552 -9.560 0.602 1.00 0.00 O ATOM 766 CB VAL A 50 -11.353 -7.079 1.745 1.00 0.00 C ATOM 767 CG1 VAL A 50 -11.970 -8.362 2.319 1.00 0.00 C ATOM 768 CG2 VAL A 50 -11.439 -5.989 2.825 1.00 0.00 C ATOM 0 H VAL A 50 -9.953 -5.266 0.706 1.00 0.00 H new ATOM 0 HA VAL A 50 -9.313 -7.612 2.176 1.00 0.00 H new ATOM 0 HB VAL A 50 -11.906 -6.787 0.852 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -13.002 -8.170 2.613 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -11.948 -9.146 1.562 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -11.399 -8.682 3.190 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -12.479 -5.854 3.124 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -10.848 -6.288 3.691 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -11.051 -5.051 2.427 1.00 0.00 H new ATOM 969 N LEU A 63 1.474 -13.555 7.176 1.00 0.00 N ATOM 970 CA LEU A 63 1.779 -12.672 6.040 1.00 0.00 C ATOM 971 C LEU A 63 0.594 -11.759 5.653 1.00 0.00 C ATOM 972 O LEU A 63 0.791 -10.665 5.121 1.00 0.00 O ATOM 973 CB LEU A 63 2.223 -13.555 4.850 1.00 0.00 C ATOM 974 CG LEU A 63 2.608 -12.804 3.558 1.00 0.00 C ATOM 975 CD1 LEU A 63 3.716 -11.785 3.803 1.00 0.00 C ATOM 976 CD2 LEU A 63 3.076 -13.766 2.460 1.00 0.00 C ATOM 0 HA LEU A 63 2.582 -11.994 6.329 1.00 0.00 H new ATOM 0 HB2 LEU A 63 3.077 -14.154 5.166 1.00 0.00 H new ATOM 0 HB3 LEU A 63 1.415 -14.249 4.617 1.00 0.00 H new ATOM 0 HG LEU A 63 1.704 -12.289 3.233 1.00 0.00 H new ATOM 0 HD11 LEU A 63 3.957 -11.278 2.869 1.00 0.00 H new ATOM 0 HD12 LEU A 63 3.381 -11.052 4.537 1.00 0.00 H new ATOM 0 HD13 LEU A 63 4.603 -12.295 4.179 1.00 0.00 H new ATOM 0 HD21 LEU A 63 3.338 -13.199 1.567 1.00 0.00 H new ATOM 0 HD22 LEU A 63 3.949 -14.318 2.808 1.00 0.00 H new ATOM 0 HD23 LEU A 63 2.274 -14.466 2.223 1.00 0.00 H new ATOM 988 N VAL A 64 -0.644 -12.183 5.928 1.00 0.00 N ATOM 989 CA VAL A 64 -1.869 -11.455 5.556 1.00 0.00 C ATOM 990 C VAL A 64 -2.109 -10.224 6.445 1.00 0.00 C ATOM 991 O VAL A 64 -2.652 -9.225 5.975 1.00 0.00 O ATOM 992 CB VAL A 64 -3.089 -12.399 5.546 1.00 0.00 C ATOM 993 CG1 VAL A 64 -4.359 -11.680 5.090 1.00 0.00 C ATOM 994 CG2 VAL A 64 -2.865 -13.575 4.584 1.00 0.00 C ATOM 0 H VAL A 64 -0.830 -13.055 6.423 1.00 0.00 H new ATOM 0 HA VAL A 64 -1.727 -11.079 4.543 1.00 0.00 H new ATOM 0 HB VAL A 64 -3.207 -12.752 6.570 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -5.195 -12.379 5.097 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -4.572 -10.853 5.767 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -4.216 -11.295 4.080 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -3.739 -14.226 4.595 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -2.709 -13.195 3.575 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -1.988 -14.140 4.899 1.00 0.00 H new ATOM 1004 N GLU A 65 -1.650 -10.249 7.701 1.00 0.00 N ATOM 1005 CA GLU A 65 -1.666 -9.096 8.617 1.00 0.00 C ATOM 1006 C GLU A 65 -1.003 -7.843 8.002 1.00 0.00 C ATOM 1007 O GLU A 65 -1.718 -6.870 7.751 1.00 0.00 O ATOM 1008 CB GLU A 65 -1.059 -9.471 9.988 1.00 0.00 C ATOM 1009 CG GLU A 65 -2.114 -9.687 11.083 1.00 0.00 C ATOM 1010 CD GLU A 65 -2.819 -8.373 11.481 1.00 0.00 C ATOM 1011 OE1 GLU A 65 -2.138 -7.424 11.941 1.00 0.00 O ATOM 1012 OE2 GLU A 65 -4.064 -8.286 11.346 1.00 0.00 O ATOM 0 H GLU A 65 -1.248 -11.087 8.121 1.00 0.00 H new ATOM 0 HA GLU A 65 -2.709 -8.827 8.784 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -0.468 -10.380 9.879 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -0.376 -8.682 10.303 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -2.857 -10.404 10.733 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -1.639 -10.123 11.962 1.00 0.00 H new ATOM 1019 N PRO A 66 0.312 -7.829 7.691 1.00 0.00 N ATOM 1020 CA PRO A 66 0.963 -6.683 7.055 1.00 0.00 C ATOM 1021 C PRO A 66 0.456 -6.402 5.630 1.00 0.00 C ATOM 1022 O PRO A 66 0.375 -5.233 5.251 1.00 0.00 O ATOM 1023 CB PRO A 66 2.466 -6.975 7.102 1.00 0.00 C ATOM 1024 CG PRO A 66 2.534 -8.499 7.174 1.00 0.00 C ATOM 1025 CD PRO A 66 1.290 -8.869 7.969 1.00 0.00 C ATOM 0 HA PRO A 66 0.723 -5.764 7.590 1.00 0.00 H new ATOM 0 HB2 PRO A 66 2.977 -6.592 6.218 1.00 0.00 H new ATOM 0 HB3 PRO A 66 2.938 -6.511 7.968 1.00 0.00 H new ATOM 0 HG2 PRO A 66 2.525 -8.949 6.181 1.00 0.00 H new ATOM 0 HG3 PRO A 66 3.444 -8.838 7.670 1.00 0.00 H new ATOM 0 HD2 PRO A 66 0.914 -9.848 7.672 1.00 0.00 H new ATOM 0 HD3 PRO A 66 1.510 -8.923 9.035 1.00 0.00 H new ATOM 1033 N LEU A 67 0.033 -7.419 4.863 1.00 0.00 N ATOM 1034 CA LEU A 67 -0.620 -7.238 3.553 1.00 0.00 C ATOM 1035 C LEU A 67 -1.944 -6.447 3.635 1.00 0.00 C ATOM 1036 O LEU A 67 -2.336 -5.802 2.665 1.00 0.00 O ATOM 1037 CB LEU A 67 -0.821 -8.620 2.904 1.00 0.00 C ATOM 1038 CG LEU A 67 -1.504 -8.631 1.519 1.00 0.00 C ATOM 1039 CD1 LEU A 67 -0.722 -7.851 0.458 1.00 0.00 C ATOM 1040 CD2 LEU A 67 -1.648 -10.075 1.040 1.00 0.00 C ATOM 0 H LEU A 67 0.134 -8.397 5.134 1.00 0.00 H new ATOM 0 HA LEU A 67 0.034 -6.629 2.929 1.00 0.00 H new ATOM 0 HB2 LEU A 67 0.154 -9.099 2.809 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -1.413 -9.234 3.583 1.00 0.00 H new ATOM 0 HG LEU A 67 -2.473 -8.147 1.642 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -1.254 -7.897 -0.492 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -0.624 -6.811 0.770 1.00 0.00 H new ATOM 0 HD13 LEU A 67 0.269 -8.290 0.341 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -2.130 -10.088 0.062 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -0.662 -10.533 0.965 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -2.255 -10.635 1.751 1.00 0.00 H new ATOM 1052 N CYS A 68 -2.624 -6.443 4.784 1.00 0.00 N ATOM 1053 CA CYS A 68 -3.722 -5.518 5.069 1.00 0.00 C ATOM 1054 C CYS A 68 -3.203 -4.195 5.669 1.00 0.00 C ATOM 1055 O CYS A 68 -3.491 -3.109 5.159 1.00 0.00 O ATOM 1056 CB CYS A 68 -4.725 -6.228 5.985 1.00 0.00 C ATOM 1057 SG CYS A 68 -6.264 -5.264 6.049 1.00 0.00 S ATOM 0 H CYS A 68 -2.426 -7.088 5.549 1.00 0.00 H new ATOM 0 HA CYS A 68 -4.227 -5.240 4.144 1.00 0.00 H new ATOM 0 HB2 CYS A 68 -4.927 -7.233 5.614 1.00 0.00 H new ATOM 0 HB3 CYS A 68 -4.308 -6.336 6.986 1.00 0.00 H new ATOM 0 HG CYS A 68 -7.119 -5.863 6.823 1.00 0.00 H new ATOM 1063 N ARG A 69 -2.415 -4.284 6.750 1.00 0.00 N ATOM 1064 CA ARG A 69 -1.958 -3.165 7.589 1.00 0.00 C ATOM 1065 C ARG A 69 -1.142 -2.123 6.817 1.00 0.00 C ATOM 1066 O ARG A 69 -1.538 -0.963 6.783 1.00 0.00 O ATOM 1067 CB ARG A 69 -1.203 -3.729 8.809 1.00 0.00 C ATOM 1068 CG ARG A 69 -1.237 -2.792 10.025 1.00 0.00 C ATOM 1069 CD ARG A 69 -0.543 -3.474 11.214 1.00 0.00 C ATOM 1070 NE ARG A 69 -0.890 -2.830 12.496 1.00 0.00 N ATOM 1071 CZ ARG A 69 -0.712 -3.338 13.705 1.00 0.00 C ATOM 1072 NH1 ARG A 69 -0.118 -4.482 13.896 1.00 0.00 N ATOM 1073 NH2 ARG A 69 -1.137 -2.701 14.759 1.00 0.00 N ATOM 0 H ARG A 69 -2.061 -5.182 7.080 1.00 0.00 H new ATOM 0 HA ARG A 69 -2.833 -2.616 7.937 1.00 0.00 H new ATOM 0 HB2 ARG A 69 -1.638 -4.689 9.086 1.00 0.00 H new ATOM 0 HB3 ARG A 69 -0.166 -3.917 8.532 1.00 0.00 H new ATOM 0 HG2 ARG A 69 -0.738 -1.853 9.788 1.00 0.00 H new ATOM 0 HG3 ARG A 69 -2.268 -2.549 10.282 1.00 0.00 H new ATOM 0 HD2 ARG A 69 -0.828 -4.525 11.247 1.00 0.00 H new ATOM 0 HD3 ARG A 69 0.537 -3.441 11.072 1.00 0.00 H new ATOM 0 HE ARG A 69 -1.309 -1.901 12.445 1.00 0.00 H new ATOM 0 HH11 ARG A 69 0.227 -5.017 13.099 1.00 0.00 H new ATOM 0 HH12 ARG A 69 0.002 -4.843 14.843 1.00 0.00 H new ATOM 0 HH21 ARG A 69 -1.611 -1.804 14.656 1.00 0.00 H new ATOM 0 HH22 ARG A 69 -0.996 -3.100 15.687 1.00 0.00 H new ATOM 1087 N ARG A 70 -0.040 -2.525 6.168 1.00 0.00 N ATOM 1088 CA ARG A 70 0.877 -1.639 5.415 1.00 0.00 C ATOM 1089 C ARG A 70 0.193 -0.926 4.246 1.00 0.00 C ATOM 1090 O ARG A 70 0.458 0.249 3.991 1.00 0.00 O ATOM 1091 CB ARG A 70 2.095 -2.441 4.909 1.00 0.00 C ATOM 1092 CG ARG A 70 3.007 -3.035 6.000 1.00 0.00 C ATOM 1093 CD ARG A 70 3.427 -1.996 7.048 1.00 0.00 C ATOM 1094 NE ARG A 70 4.627 -2.409 7.802 1.00 0.00 N ATOM 1095 CZ ARG A 70 5.296 -1.668 8.672 1.00 0.00 C ATOM 1096 NH1 ARG A 70 4.916 -0.460 8.977 1.00 0.00 N ATOM 1097 NH2 ARG A 70 6.365 -2.130 9.252 1.00 0.00 N ATOM 0 H ARG A 70 0.252 -3.502 6.148 1.00 0.00 H new ATOM 0 HA ARG A 70 1.206 -0.864 6.108 1.00 0.00 H new ATOM 0 HB2 ARG A 70 1.734 -3.255 4.280 1.00 0.00 H new ATOM 0 HB3 ARG A 70 2.696 -1.790 4.274 1.00 0.00 H new ATOM 0 HG2 ARG A 70 2.488 -3.856 6.495 1.00 0.00 H new ATOM 0 HG3 ARG A 70 3.898 -3.456 5.534 1.00 0.00 H new ATOM 0 HD2 ARG A 70 3.622 -1.044 6.554 1.00 0.00 H new ATOM 0 HD3 ARG A 70 2.603 -1.832 7.743 1.00 0.00 H new ATOM 0 HE ARG A 70 4.973 -3.354 7.637 1.00 0.00 H new ATOM 0 HH11 ARG A 70 4.084 -0.062 8.542 1.00 0.00 H new ATOM 0 HH12 ARG A 70 5.451 0.088 9.651 1.00 0.00 H new ATOM 0 HH21 ARG A 70 6.695 -3.071 9.038 1.00 0.00 H new ATOM 0 HH22 ARG A 70 6.873 -1.551 9.921 1.00 0.00 H new ATOM 1111 N LEU A 71 -0.721 -1.619 3.568 1.00 0.00 N ATOM 1112 CA LEU A 71 -1.575 -1.072 2.510 1.00 0.00 C ATOM 1113 C LEU A 71 -2.465 0.048 3.077 1.00 0.00 C ATOM 1114 O LEU A 71 -2.468 1.168 2.566 1.00 0.00 O ATOM 1115 CB LEU A 71 -2.403 -2.206 1.870 1.00 0.00 C ATOM 1116 CG LEU A 71 -1.679 -3.137 0.874 1.00 0.00 C ATOM 1117 CD1 LEU A 71 -1.439 -2.455 -0.472 1.00 0.00 C ATOM 1118 CD2 LEU A 71 -0.342 -3.684 1.386 1.00 0.00 C ATOM 0 H LEU A 71 -0.894 -2.609 3.744 1.00 0.00 H new ATOM 0 HA LEU A 71 -0.958 -0.631 1.727 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -2.809 -2.822 2.673 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -3.251 -1.755 1.355 1.00 0.00 H new ATOM 0 HG LEU A 71 -2.361 -3.979 0.754 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -0.927 -3.145 -1.143 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -2.395 -2.166 -0.909 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -0.823 -1.567 -0.326 1.00 0.00 H new ATOM 0 HD21 LEU A 71 0.102 -4.329 0.627 1.00 0.00 H new ATOM 0 HD22 LEU A 71 0.333 -2.855 1.598 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -0.509 -4.258 2.297 1.00 0.00 H new ATOM 1130 N ASN A 72 -3.170 -0.229 4.178 1.00 0.00 N ATOM 1131 CA ASN A 72 -4.002 0.752 4.878 1.00 0.00 C ATOM 1132 C ASN A 72 -3.204 1.932 5.494 1.00 0.00 C ATOM 1133 O ASN A 72 -3.735 3.041 5.583 1.00 0.00 O ATOM 1134 CB ASN A 72 -4.849 0.008 5.922 1.00 0.00 C ATOM 1135 CG ASN A 72 -5.988 0.867 6.453 1.00 0.00 C ATOM 1136 OD1 ASN A 72 -6.755 1.456 5.703 1.00 0.00 O ATOM 1137 ND2 ASN A 72 -6.146 0.962 7.753 1.00 0.00 N ATOM 0 H ASN A 72 -3.179 -1.152 4.613 1.00 0.00 H new ATOM 0 HA ASN A 72 -4.651 1.233 4.147 1.00 0.00 H new ATOM 0 HB2 ASN A 72 -5.257 -0.900 5.477 1.00 0.00 H new ATOM 0 HB3 ASN A 72 -4.212 -0.302 6.751 1.00 0.00 H new ATOM 0 HD21 ASN A 72 -6.906 1.525 8.135 1.00 0.00 H new ATOM 0 HD22 ASN A 72 -5.509 0.473 8.381 1.00 0.00 H new ATOM 1144 N THR A 73 -1.928 1.745 5.864 1.00 0.00 N ATOM 1145 CA THR A 73 -1.016 2.833 6.278 1.00 0.00 C ATOM 1146 C THR A 73 -0.858 3.878 5.167 1.00 0.00 C ATOM 1147 O THR A 73 -1.115 5.063 5.389 1.00 0.00 O ATOM 1148 CB THR A 73 0.377 2.310 6.694 1.00 0.00 C ATOM 1149 OG1 THR A 73 0.281 1.288 7.662 1.00 0.00 O ATOM 1150 CG2 THR A 73 1.270 3.399 7.294 1.00 0.00 C ATOM 0 H THR A 73 -1.491 0.824 5.886 1.00 0.00 H new ATOM 0 HA THR A 73 -1.476 3.299 7.150 1.00 0.00 H new ATOM 0 HB THR A 73 0.819 1.938 5.770 1.00 0.00 H new ATOM 0 HG1 THR A 73 -0.184 0.516 7.277 1.00 0.00 H new ATOM 0 HG21 THR A 73 2.234 2.970 7.566 1.00 0.00 H new ATOM 0 HG22 THR A 73 1.420 4.192 6.561 1.00 0.00 H new ATOM 0 HG23 THR A 73 0.793 3.812 8.183 1.00 0.00 H new ATOM 1158 N LEU A 74 -0.460 3.456 3.962 1.00 0.00 N ATOM 1159 CA LEU A 74 -0.259 4.352 2.812 1.00 0.00 C ATOM 1160 C LEU A 74 -1.559 4.963 2.276 1.00 0.00 C ATOM 1161 O LEU A 74 -1.531 6.105 1.818 1.00 0.00 O ATOM 1162 CB LEU A 74 0.522 3.619 1.706 1.00 0.00 C ATOM 1163 CG LEU A 74 2.004 4.025 1.644 1.00 0.00 C ATOM 1164 CD1 LEU A 74 2.702 3.837 2.985 1.00 0.00 C ATOM 1165 CD2 LEU A 74 2.771 3.188 0.621 1.00 0.00 C ATOM 0 H LEU A 74 -0.266 2.477 3.753 1.00 0.00 H new ATOM 0 HA LEU A 74 0.330 5.199 3.165 1.00 0.00 H new ATOM 0 HB2 LEU A 74 0.453 2.544 1.872 1.00 0.00 H new ATOM 0 HB3 LEU A 74 0.055 3.824 0.743 1.00 0.00 H new ATOM 0 HG LEU A 74 2.008 5.078 1.361 1.00 0.00 H new ATOM 0 HD11 LEU A 74 3.747 4.136 2.896 1.00 0.00 H new ATOM 0 HD12 LEU A 74 2.212 4.452 3.740 1.00 0.00 H new ATOM 0 HD13 LEU A 74 2.648 2.789 3.280 1.00 0.00 H new ATOM 0 HD21 LEU A 74 3.815 3.502 0.603 1.00 0.00 H new ATOM 0 HD22 LEU A 74 2.713 2.135 0.896 1.00 0.00 H new ATOM 0 HD23 LEU A 74 2.333 3.330 -0.367 1.00 0.00 H new ATOM 1177 N ASN A 75 -2.703 4.277 2.393 1.00 0.00 N ATOM 1178 CA ASN A 75 -4.018 4.829 2.029 1.00 0.00 C ATOM 1179 C ASN A 75 -4.314 6.183 2.702 1.00 0.00 C ATOM 1180 O ASN A 75 -4.897 7.069 2.072 1.00 0.00 O ATOM 1181 CB ASN A 75 -5.134 3.833 2.386 1.00 0.00 C ATOM 1182 CG ASN A 75 -5.328 2.704 1.395 1.00 0.00 C ATOM 1183 OD1 ASN A 75 -4.563 2.477 0.470 1.00 0.00 O ATOM 1184 ND2 ASN A 75 -6.413 1.984 1.543 1.00 0.00 N ATOM 0 H ASN A 75 -2.745 3.320 2.744 1.00 0.00 H new ATOM 0 HA ASN A 75 -3.989 4.998 0.953 1.00 0.00 H new ATOM 0 HB2 ASN A 75 -4.918 3.404 3.364 1.00 0.00 H new ATOM 0 HB3 ASN A 75 -6.072 4.380 2.478 1.00 0.00 H new ATOM 0 HD21 ASN A 75 -6.620 1.232 0.885 1.00 0.00 H new ATOM 0 HD22 ASN A 75 -7.050 2.175 2.316 1.00 0.00 H new ATOM 1191 N LYS A 76 -3.883 6.358 3.960 1.00 0.00 N ATOM 1192 CA LYS A 76 -4.054 7.591 4.748 1.00 0.00 C ATOM 1193 C LYS A 76 -3.442 8.818 4.051 1.00 0.00 C ATOM 1194 O LYS A 76 -4.054 9.886 4.025 1.00 0.00 O ATOM 1195 CB LYS A 76 -3.440 7.371 6.146 1.00 0.00 C ATOM 1196 CG LYS A 76 -4.025 8.282 7.236 1.00 0.00 C ATOM 1197 CD LYS A 76 -5.405 7.800 7.713 1.00 0.00 C ATOM 1198 CE LYS A 76 -5.892 8.654 8.890 1.00 0.00 C ATOM 1199 NZ LYS A 76 -7.136 8.104 9.490 1.00 0.00 N ATOM 0 H LYS A 76 -3.392 5.626 4.473 1.00 0.00 H new ATOM 0 HA LYS A 76 -5.119 7.803 4.843 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -3.589 6.331 6.437 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -2.364 7.535 6.089 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -3.341 8.318 8.084 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -4.109 9.298 6.852 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -6.121 7.858 6.893 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -5.348 6.754 8.014 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -5.113 8.704 9.650 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -6.072 9.674 8.550 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -7.435 8.707 10.282 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -7.887 8.079 8.771 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -6.957 7.140 9.837 1.00 0.00 H new ATOM 1213 N CYS A 77 -2.259 8.650 3.453 1.00 0.00 N ATOM 1214 CA CYS A 77 -1.534 9.681 2.698 1.00 0.00 C ATOM 1215 C CYS A 77 -1.884 9.707 1.193 1.00 0.00 C ATOM 1216 O CYS A 77 -1.734 10.748 0.553 1.00 0.00 O ATOM 1217 CB CYS A 77 -0.027 9.461 2.897 1.00 0.00 C ATOM 1218 SG CYS A 77 0.419 9.683 4.646 1.00 0.00 S ATOM 0 H CYS A 77 -1.760 7.761 3.481 1.00 0.00 H new ATOM 0 HA CYS A 77 -1.840 10.653 3.086 1.00 0.00 H new ATOM 0 HB2 CYS A 77 0.247 8.458 2.569 1.00 0.00 H new ATOM 0 HB3 CYS A 77 0.534 10.163 2.280 1.00 0.00 H new ATOM 0 HG CYS A 77 1.696 9.491 4.796 1.00 0.00 H new ATOM 1224 N ALA A 78 -2.371 8.597 0.626 1.00 0.00 N ATOM 1225 CA ALA A 78 -2.802 8.492 -0.774 1.00 0.00 C ATOM 1226 C ALA A 78 -4.060 9.327 -1.106 1.00 0.00 C ATOM 1227 O ALA A 78 -4.311 9.603 -2.280 1.00 0.00 O ATOM 1228 CB ALA A 78 -3.044 7.012 -1.106 1.00 0.00 C ATOM 0 H ALA A 78 -2.479 7.724 1.141 1.00 0.00 H new ATOM 0 HA ALA A 78 -2.004 8.907 -1.389 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -3.365 6.920 -2.144 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -2.121 6.451 -0.960 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -3.818 6.614 -0.450 1.00 0.00 H new