USER MOD reduce.3.24.130724 H: found=0, std=0, add=397, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 399 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 72 ASN : amide:sc= -1.44! C(o=-1!,f=-21!) USER MOD Set 1.2: A 76 LYS NZ :NH3+ -175:sc= 0.427 (180deg=0) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 CYS SG : rot 180:sc= 0.158 USER MOD Single : A 35 GLN : amide:sc= -1.64 X(o=-1.6,f=-1.6) USER MOD Single : A 36 TYR OH : rot -45:sc= -3.69! USER MOD Single : A 38 GLN :FLIP amide:sc= -1.77 F(o=-6.6!,f=-1.8) USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 SER OG : rot -52:sc= 0.834 USER MOD Single : A 44 GLN :FLIP amide:sc= -0.215 F(o=-2.8!,f=-0.21) USER MOD Single : A 48 ASN :FLIP amide:sc= -1.4 F(o=-6.7!,f=-1.4) USER MOD Single : A 53 LYS NZ :NH3+ 144:sc= -3.15 (180deg=-4.34!) USER MOD Single : A 68 CYS SG : rot -72:sc= 0.565 USER MOD Single : A 73 THR OG1 : rot 80:sc= 0.685 USER MOD Single : A 75 ASN : amide:sc= -6.42! C(o=-6.4!,f=-9.6!) USER MOD Single : A 77 CYS SG : rot -38:sc= 0.151 USER MOD ----------------------------------------------------------------- ATOM 293 N GLU A 20 4.395 8.662 -2.338 1.00 1.00 N ATOM 294 CA GLU A 20 3.480 7.617 -1.902 1.00 1.00 C ATOM 295 C GLU A 20 2.331 7.474 -2.893 1.00 1.00 C ATOM 296 O GLU A 20 1.921 6.363 -3.227 1.00 1.00 O ATOM 297 CB GLU A 20 2.923 7.953 -0.519 1.00 1.00 C ATOM 298 CG GLU A 20 4.043 7.858 0.520 1.00 1.00 C ATOM 299 CD GLU A 20 4.141 6.433 1.054 1.00 1.00 C ATOM 300 OE1 GLU A 20 3.830 5.518 0.308 1.00 1.00 O ATOM 301 OE2 GLU A 20 4.532 6.277 2.199 1.00 1.00 O ATOM 0 HA GLU A 20 4.027 6.675 -1.852 1.00 1.00 H new ATOM 0 HB2 GLU A 20 2.498 8.957 -0.521 1.00 1.00 H new ATOM 0 HB3 GLU A 20 2.116 7.266 -0.263 1.00 1.00 H new ATOM 0 HG2 GLU A 20 4.992 8.153 0.072 1.00 1.00 H new ATOM 0 HG3 GLU A 20 3.849 8.550 1.340 1.00 1.00 H new ATOM 308 N ALA A 21 1.814 8.606 -3.356 1.00 1.00 N ATOM 309 CA ALA A 21 0.707 8.594 -4.306 1.00 1.00 C ATOM 310 C ALA A 21 1.076 7.803 -5.557 1.00 1.00 C ATOM 311 O ALA A 21 0.385 6.856 -5.929 1.00 1.00 O ATOM 312 CB ALA A 21 0.333 10.026 -4.697 1.00 1.00 C ATOM 0 H ALA A 21 2.139 9.536 -3.092 1.00 1.00 H new ATOM 0 HA ALA A 21 -0.147 8.114 -3.827 1.00 1.00 H new ATOM 0 HB1 ALA A 21 -0.494 10.005 -5.406 1.00 1.00 H new ATOM 0 HB2 ALA A 21 0.034 10.580 -3.807 1.00 1.00 H new ATOM 0 HB3 ALA A 21 1.193 10.514 -5.156 1.00 1.00 H new ATOM 318 N LYS A 22 2.167 8.196 -6.205 1.00 1.00 N ATOM 319 CA LYS A 22 2.605 7.509 -7.413 1.00 1.00 C ATOM 320 C LYS A 22 2.700 6.008 -7.164 1.00 1.00 C ATOM 321 O LYS A 22 2.374 5.204 -8.035 1.00 1.00 O ATOM 322 CB LYS A 22 3.968 8.053 -7.860 1.00 1.00 C ATOM 323 CG LYS A 22 4.416 7.374 -9.161 1.00 1.00 C ATOM 324 CD LYS A 22 3.407 7.663 -10.276 1.00 1.00 C ATOM 325 CE LYS A 22 4.122 7.651 -11.629 1.00 1.00 C ATOM 326 NZ LYS A 22 3.148 7.294 -12.700 1.00 1.00 N ATOM 0 H LYS A 22 2.758 8.977 -5.918 1.00 1.00 H new ATOM 0 HA LYS A 22 1.874 7.687 -8.201 1.00 1.00 H new ATOM 0 HB2 LYS A 22 3.905 9.131 -8.008 1.00 1.00 H new ATOM 0 HB3 LYS A 22 4.709 7.881 -7.079 1.00 1.00 H new ATOM 0 HG2 LYS A 22 5.403 7.736 -9.449 1.00 1.00 H new ATOM 0 HG3 LYS A 22 4.504 6.298 -9.008 1.00 1.00 H new ATOM 0 HD2 LYS A 22 2.614 6.915 -10.266 1.00 1.00 H new ATOM 0 HD3 LYS A 22 2.935 8.631 -10.111 1.00 1.00 H new ATOM 0 HE2 LYS A 22 4.559 8.629 -11.831 1.00 1.00 H new ATOM 0 HE3 LYS A 22 4.942 6.933 -11.613 1.00 1.00 H new ATOM 0 HZ1 LYS A 22 3.632 7.285 -13.621 1.00 1.00 H new ATOM 0 HZ2 LYS A 22 2.751 6.352 -12.508 1.00 1.00 H new ATOM 0 HZ3 LYS A 22 2.380 7.995 -12.719 1.00 1.00 H new ATOM 340 N GLU A 23 3.140 5.637 -5.966 1.00 1.00 N ATOM 341 CA GLU A 23 3.265 4.229 -5.617 1.00 1.00 C ATOM 342 C GLU A 23 1.883 3.622 -5.429 1.00 1.00 C ATOM 343 O GLU A 23 1.554 2.599 -6.026 1.00 1.00 O ATOM 344 CB GLU A 23 4.075 4.074 -4.327 1.00 1.00 C ATOM 345 CG GLU A 23 5.567 4.110 -4.655 1.00 1.00 C ATOM 346 CD GLU A 23 6.080 2.695 -4.900 1.00 1.00 C ATOM 347 OE1 GLU A 23 6.010 2.249 -6.033 1.00 1.00 O ATOM 348 OE2 GLU A 23 6.538 2.079 -3.952 1.00 1.00 O ATOM 0 H GLU A 23 3.413 6.286 -5.228 1.00 1.00 H new ATOM 0 HA GLU A 23 3.782 3.710 -6.424 1.00 1.00 H new ATOM 0 HB2 GLU A 23 3.826 4.874 -3.630 1.00 1.00 H new ATOM 0 HB3 GLU A 23 3.822 3.134 -3.837 1.00 1.00 H new ATOM 0 HG2 GLU A 23 5.739 4.726 -5.537 1.00 1.00 H new ATOM 0 HG3 GLU A 23 6.118 4.568 -3.834 1.00 1.00 H new ATOM 355 N ALA A 24 1.085 4.266 -4.589 1.00 1.00 N ATOM 356 CA ALA A 24 -0.265 3.798 -4.313 1.00 1.00 C ATOM 357 C ALA A 24 -0.935 3.273 -5.577 1.00 1.00 C ATOM 358 O ALA A 24 -1.484 2.172 -5.585 1.00 1.00 O ATOM 359 CB ALA A 24 -1.094 4.943 -3.730 1.00 1.00 C ATOM 0 H ALA A 24 1.349 5.114 -4.087 1.00 1.00 H new ATOM 0 HA ALA A 24 -0.204 2.980 -3.595 1.00 1.00 H new ATOM 0 HB1 ALA A 24 -2.105 4.592 -3.524 1.00 1.00 H new ATOM 0 HB2 ALA A 24 -0.634 5.290 -2.805 1.00 1.00 H new ATOM 0 HB3 ALA A 24 -1.134 5.764 -4.446 1.00 1.00 H new ATOM 365 N CYS A 25 -0.895 4.067 -6.641 1.00 1.00 N ATOM 366 CA CYS A 25 -1.514 3.669 -7.902 1.00 1.00 C ATOM 367 C CYS A 25 -0.675 2.614 -8.618 1.00 1.00 C ATOM 368 O CYS A 25 -1.217 1.704 -9.246 1.00 1.00 O ATOM 369 CB CYS A 25 -1.677 4.892 -8.806 1.00 1.00 C ATOM 370 SG CYS A 25 -1.239 4.448 -10.505 1.00 1.00 S ATOM 0 H CYS A 25 -0.445 4.982 -6.658 1.00 1.00 H new ATOM 0 HA CYS A 25 -2.491 3.240 -7.681 1.00 1.00 H new ATOM 0 HB2 CYS A 25 -2.705 5.253 -8.766 1.00 1.00 H new ATOM 0 HB3 CYS A 25 -1.040 5.704 -8.455 1.00 1.00 H new ATOM 0 HG CYS A 25 -1.379 5.486 -11.275 1.00 1.00 H new ATOM 376 N ASP A 26 0.644 2.737 -8.523 1.00 1.00 N ATOM 377 CA ASP A 26 1.534 1.776 -9.170 1.00 1.00 C ATOM 378 C ASP A 26 1.535 0.459 -8.404 1.00 1.00 C ATOM 379 O ASP A 26 1.937 -0.579 -8.931 1.00 1.00 O ATOM 380 CB ASP A 26 2.957 2.335 -9.234 1.00 1.00 C ATOM 381 CG ASP A 26 3.736 1.663 -10.359 1.00 1.00 C ATOM 382 OD1 ASP A 26 3.589 0.462 -10.522 1.00 1.00 O ATOM 383 OD2 ASP A 26 4.468 2.359 -11.041 1.00 1.00 O ATOM 0 H ASP A 26 1.118 3.482 -8.012 1.00 1.00 H new ATOM 0 HA ASP A 26 1.174 1.598 -10.183 1.00 1.00 H new ATOM 0 HB2 ASP A 26 2.925 3.412 -9.397 1.00 1.00 H new ATOM 0 HB3 ASP A 26 3.463 2.171 -8.283 1.00 1.00 H new ATOM 388 N TRP A 27 1.076 0.511 -7.160 1.00 1.00 N ATOM 389 CA TRP A 27 1.018 -0.681 -6.324 1.00 1.00 C ATOM 390 C TRP A 27 -0.354 -1.334 -6.438 1.00 1.00 C ATOM 391 O TRP A 27 -0.466 -2.548 -6.589 1.00 1.00 O ATOM 392 CB TRP A 27 1.292 -0.310 -4.866 1.00 1.00 C ATOM 393 CG TRP A 27 1.347 -1.552 -4.040 1.00 1.00 C ATOM 394 CD1 TRP A 27 2.441 -2.332 -3.883 1.00 1.00 C ATOM 395 CD2 TRP A 27 0.286 -2.174 -3.259 1.00 1.00 C ATOM 396 NE1 TRP A 27 2.119 -3.393 -3.055 1.00 1.00 N ATOM 397 CE2 TRP A 27 0.802 -3.338 -2.644 1.00 1.00 C ATOM 398 CE3 TRP A 27 -1.062 -1.843 -3.027 1.00 1.00 C ATOM 399 CZ2 TRP A 27 0.010 -4.147 -1.828 1.00 1.00 C ATOM 400 CZ3 TRP A 27 -1.861 -2.653 -2.205 1.00 1.00 C ATOM 401 CH2 TRP A 27 -1.326 -3.803 -1.607 1.00 1.00 C ATOM 0 H TRP A 27 0.740 1.362 -6.709 1.00 1.00 H new ATOM 0 HA TRP A 27 1.777 -1.385 -6.664 1.00 1.00 H new ATOM 0 HB2 TRP A 27 2.234 0.233 -4.788 1.00 1.00 H new ATOM 0 HB3 TRP A 27 0.510 0.352 -4.495 1.00 1.00 H new ATOM 0 HD1 TRP A 27 3.408 -2.156 -4.331 1.00 1.00 H new ATOM 0 HE1 TRP A 27 2.774 -4.126 -2.782 1.00 1.00 H new ATOM 0 HE3 TRP A 27 -1.484 -0.960 -3.484 1.00 1.00 H new ATOM 0 HZ2 TRP A 27 0.427 -5.032 -1.371 1.00 1.00 H new ATOM 0 HZ3 TRP A 27 -2.894 -2.389 -2.032 1.00 1.00 H new ATOM 0 HH2 TRP A 27 -1.946 -4.422 -0.976 1.00 1.00 H new ATOM 412 N LEU A 28 -1.396 -0.513 -6.359 1.00 1.00 N ATOM 413 CA LEU A 28 -2.762 -1.010 -6.456 1.00 1.00 C ATOM 414 C LEU A 28 -2.875 -2.072 -7.546 1.00 1.00 C ATOM 415 O LEU A 28 -3.652 -3.020 -7.425 1.00 1.00 O ATOM 416 CB LEU A 28 -3.706 0.147 -6.786 1.00 1.00 C ATOM 417 CG LEU A 28 -4.140 0.862 -5.500 1.00 1.00 C ATOM 418 CD1 LEU A 28 -4.545 2.296 -5.831 1.00 1.00 C ATOM 419 CD2 LEU A 28 -5.337 0.142 -4.863 1.00 1.00 C ATOM 0 H LEU A 28 -1.320 0.496 -6.229 1.00 1.00 H new ATOM 0 HA LEU A 28 -3.035 -1.455 -5.499 1.00 1.00 H new ATOM 0 HB2 LEU A 28 -3.209 0.852 -7.452 1.00 1.00 H new ATOM 0 HB3 LEU A 28 -4.582 -0.229 -7.315 1.00 1.00 H new ATOM 0 HG LEU A 28 -3.305 0.857 -4.799 1.00 1.00 H new ATOM 0 HD11 LEU A 28 -4.854 2.807 -4.919 1.00 1.00 H new ATOM 0 HD12 LEU A 28 -3.697 2.821 -6.271 1.00 1.00 H new ATOM 0 HD13 LEU A 28 -5.373 2.286 -6.539 1.00 1.00 H new ATOM 0 HD21 LEU A 28 -5.632 0.662 -3.952 1.00 1.00 H new ATOM 0 HD22 LEU A 28 -6.172 0.135 -5.563 1.00 1.00 H new ATOM 0 HD23 LEU A 28 -5.058 -0.884 -4.621 1.00 1.00 H new ATOM 431 N ARG A 29 -2.099 -1.903 -8.611 1.00 1.00 N ATOM 432 CA ARG A 29 -2.125 -2.847 -9.723 1.00 1.00 C ATOM 433 C ARG A 29 -1.215 -4.040 -9.444 1.00 1.00 C ATOM 434 O ARG A 29 -1.428 -5.131 -9.974 1.00 1.00 O ATOM 435 CB ARG A 29 -1.675 -2.148 -11.008 1.00 1.00 C ATOM 436 CG ARG A 29 -0.350 -1.424 -10.759 1.00 1.00 C ATOM 437 CD ARG A 29 0.194 -0.889 -12.084 1.00 1.00 C ATOM 438 NE ARG A 29 -0.899 -0.396 -12.917 1.00 1.00 N ATOM 439 CZ ARG A 29 -1.478 0.774 -12.668 1.00 1.00 C ATOM 440 NH1 ARG A 29 -1.078 1.498 -11.658 1.00 1.00 N ATOM 441 NH2 ARG A 29 -2.446 1.198 -13.434 1.00 1.00 N ATOM 0 H ARG A 29 -1.448 -1.127 -8.728 1.00 1.00 H new ATOM 0 HA ARG A 29 -3.146 -3.209 -9.842 1.00 1.00 H new ATOM 0 HB2 ARG A 29 -1.558 -2.878 -11.809 1.00 1.00 H new ATOM 0 HB3 ARG A 29 -2.435 -1.437 -11.333 1.00 1.00 H new ATOM 0 HG2 ARG A 29 -0.498 -0.604 -10.056 1.00 1.00 H new ATOM 0 HG3 ARG A 29 0.370 -2.106 -10.306 1.00 1.00 H new ATOM 0 HD2 ARG A 29 0.907 -0.087 -11.895 1.00 1.00 H new ATOM 0 HD3 ARG A 29 0.733 -1.678 -12.609 1.00 1.00 H new ATOM 0 HE ARG A 29 -1.224 -0.959 -13.703 1.00 1.00 H new ATOM 0 HH11 ARG A 29 -0.321 1.166 -11.060 1.00 1.00 H new ATOM 0 HH12 ARG A 29 -1.522 2.396 -11.467 1.00 1.00 H new ATOM 0 HH21 ARG A 29 -2.757 0.631 -14.223 1.00 1.00 H new ATOM 0 HH22 ARG A 29 -2.891 2.096 -13.244 1.00 1.00 H new ATOM 455 N ALA A 30 -0.205 -3.828 -8.609 1.00 1.00 N ATOM 456 CA ALA A 30 0.728 -4.895 -8.267 1.00 1.00 C ATOM 457 C ALA A 30 0.142 -5.784 -7.176 1.00 1.00 C ATOM 458 O ALA A 30 0.643 -6.880 -6.917 1.00 1.00 O ATOM 459 CB ALA A 30 2.051 -4.299 -7.786 1.00 1.00 C ATOM 0 H ALA A 30 -0.012 -2.933 -8.159 1.00 1.00 H new ATOM 0 HA ALA A 30 0.906 -5.498 -9.158 1.00 1.00 H new ATOM 0 HB1 ALA A 30 2.742 -5.103 -7.533 1.00 1.00 H new ATOM 0 HB2 ALA A 30 2.483 -3.686 -8.577 1.00 1.00 H new ATOM 0 HB3 ALA A 30 1.873 -3.682 -6.905 1.00 1.00 H new ATOM 465 N ALA A 31 -0.922 -5.308 -6.539 1.00 1.00 N ATOM 466 CA ALA A 31 -1.570 -6.070 -5.476 1.00 1.00 C ATOM 467 C ALA A 31 -2.768 -6.840 -6.024 1.00 1.00 C ATOM 468 O ALA A 31 -2.996 -7.993 -5.657 1.00 1.00 O ATOM 469 CB ALA A 31 -2.034 -5.125 -4.367 1.00 1.00 C ATOM 0 H ALA A 31 -1.352 -4.405 -6.738 1.00 1.00 H new ATOM 0 HA ALA A 31 -0.849 -6.780 -5.071 1.00 1.00 H new ATOM 0 HB1 ALA A 31 -2.517 -5.700 -3.577 1.00 1.00 H new ATOM 0 HB2 ALA A 31 -1.174 -4.596 -3.957 1.00 1.00 H new ATOM 0 HB3 ALA A 31 -2.742 -4.404 -4.776 1.00 1.00 H new ATOM 475 N GLY A 32 -3.528 -6.197 -6.903 1.00 1.00 N ATOM 476 CA GLY A 32 -4.699 -6.833 -7.495 1.00 1.00 C ATOM 477 C GLY A 32 -5.875 -5.863 -7.560 1.00 1.00 C ATOM 478 O GLY A 32 -7.029 -6.263 -7.416 1.00 1.00 O ATOM 0 H GLY A 32 -3.356 -5.243 -7.220 1.00 1.00 H new ATOM 0 HA2 GLY A 32 -4.458 -7.185 -8.498 1.00 1.00 H new ATOM 0 HA3 GLY A 32 -4.977 -7.708 -6.908 1.00 1.00 H new ATOM 482 N PHE A 33 -5.572 -4.588 -7.775 1.00 1.00 N ATOM 483 CA PHE A 33 -6.613 -3.569 -7.857 1.00 1.00 C ATOM 484 C PHE A 33 -6.257 -2.520 -8.908 1.00 1.00 C ATOM 485 O PHE A 33 -6.185 -1.329 -8.608 1.00 1.00 O ATOM 486 CB PHE A 33 -6.784 -2.890 -6.498 1.00 1.00 C ATOM 487 CG PHE A 33 -6.930 -3.941 -5.422 1.00 1.00 C ATOM 488 CD1 PHE A 33 -8.015 -4.826 -5.454 1.00 1.00 C ATOM 489 CD2 PHE A 33 -5.982 -4.031 -4.395 1.00 1.00 C ATOM 490 CE1 PHE A 33 -8.151 -5.801 -4.459 1.00 1.00 C ATOM 491 CE2 PHE A 33 -6.118 -5.006 -3.400 1.00 1.00 C ATOM 492 CZ PHE A 33 -7.204 -5.891 -3.432 1.00 1.00 C ATOM 0 H PHE A 33 -4.622 -4.237 -7.895 1.00 1.00 H new ATOM 0 HA PHE A 33 -7.547 -4.053 -8.144 1.00 1.00 H new ATOM 0 HB2 PHE A 33 -5.924 -2.255 -6.286 1.00 1.00 H new ATOM 0 HB3 PHE A 33 -7.662 -2.244 -6.511 1.00 1.00 H new ATOM 0 HD1 PHE A 33 -8.746 -4.756 -6.246 1.00 1.00 H new ATOM 0 HD2 PHE A 33 -5.146 -3.348 -4.371 1.00 1.00 H new ATOM 0 HE1 PHE A 33 -8.987 -6.484 -4.484 1.00 1.00 H new ATOM 0 HE2 PHE A 33 -5.387 -5.076 -2.608 1.00 1.00 H new ATOM 0 HZ PHE A 33 -7.310 -6.643 -2.664 1.00 1.00 H new ATOM 502 N PRO A 34 -6.036 -2.941 -10.125 1.00 1.00 N ATOM 503 CA PRO A 34 -5.680 -2.019 -11.241 1.00 1.00 C ATOM 504 C PRO A 34 -6.856 -1.136 -11.646 1.00 1.00 C ATOM 505 O PRO A 34 -6.695 -0.176 -12.401 1.00 1.00 O ATOM 506 CB PRO A 34 -5.282 -2.958 -12.382 1.00 1.00 C ATOM 507 CG PRO A 34 -5.961 -4.254 -12.086 1.00 1.00 C ATOM 508 CD PRO A 34 -6.105 -4.341 -10.569 1.00 1.00 C ATOM 0 HA PRO A 34 -4.885 -1.327 -10.963 1.00 1.00 H new ATOM 0 HB2 PRO A 34 -5.598 -2.560 -13.346 1.00 1.00 H new ATOM 0 HB3 PRO A 34 -4.200 -3.083 -12.428 1.00 1.00 H new ATOM 0 HG2 PRO A 34 -6.937 -4.298 -12.570 1.00 1.00 H new ATOM 0 HG3 PRO A 34 -5.378 -5.092 -12.467 1.00 1.00 H new ATOM 0 HD2 PRO A 34 -7.049 -4.804 -10.284 1.00 1.00 H new ATOM 0 HD3 PRO A 34 -5.309 -4.940 -10.126 1.00 1.00 H new ATOM 516 N GLN A 35 -8.038 -1.467 -11.137 1.00 1.00 N ATOM 517 CA GLN A 35 -9.236 -0.697 -11.450 1.00 1.00 C ATOM 518 C GLN A 35 -9.371 0.488 -10.502 1.00 1.00 C ATOM 519 O GLN A 35 -10.098 1.442 -10.781 1.00 1.00 O ATOM 520 CB GLN A 35 -10.475 -1.587 -11.336 1.00 1.00 C ATOM 521 CG GLN A 35 -10.606 -2.096 -9.900 1.00 1.00 C ATOM 522 CD GLN A 35 -11.472 -1.142 -9.085 1.00 1.00 C ATOM 523 OE1 GLN A 35 -12.593 -0.825 -9.485 1.00 1.00 O ATOM 524 NE2 GLN A 35 -11.020 -0.667 -7.957 1.00 1.00 N ATOM 0 H GLN A 35 -8.192 -2.257 -10.511 1.00 1.00 H new ATOM 0 HA GLN A 35 -9.150 -0.325 -12.471 1.00 1.00 H new ATOM 0 HB2 GLN A 35 -11.366 -1.026 -11.617 1.00 1.00 H new ATOM 0 HB3 GLN A 35 -10.397 -2.428 -12.026 1.00 1.00 H new ATOM 0 HG2 GLN A 35 -11.047 -3.093 -9.898 1.00 1.00 H new ATOM 0 HG3 GLN A 35 -9.619 -2.183 -9.445 1.00 1.00 H new ATOM 0 HE21 GLN A 35 -10.091 -0.931 -7.628 1.00 1.00 H new ATOM 0 HE22 GLN A 35 -11.595 -0.032 -7.404 1.00 1.00 H new ATOM 533 N TYR A 36 -8.663 0.424 -9.377 1.00 1.00 N ATOM 534 CA TYR A 36 -8.710 1.499 -8.395 1.00 1.00 C ATOM 535 C TYR A 36 -7.991 2.733 -8.931 1.00 1.00 C ATOM 536 O TYR A 36 -8.614 3.757 -9.206 1.00 1.00 O ATOM 537 CB TYR A 36 -8.039 1.037 -7.098 1.00 1.00 C ATOM 538 CG TYR A 36 -8.948 1.297 -5.918 1.00 1.00 C ATOM 539 CD1 TYR A 36 -9.537 2.556 -5.746 1.00 1.00 C ATOM 540 CD2 TYR A 36 -9.196 0.276 -4.992 1.00 1.00 C ATOM 541 CE1 TYR A 36 -10.375 2.795 -4.650 1.00 1.00 C ATOM 542 CE2 TYR A 36 -10.034 0.515 -3.895 1.00 1.00 C ATOM 543 CZ TYR A 36 -10.622 1.774 -3.724 1.00 1.00 C ATOM 544 OH TYR A 36 -11.452 2.009 -2.648 1.00 1.00 O ATOM 0 H TYR A 36 -8.055 -0.355 -9.126 1.00 1.00 H new ATOM 0 HA TYR A 36 -9.751 1.754 -8.197 1.00 1.00 H new ATOM 0 HB2 TYR A 36 -7.806 -0.026 -7.159 1.00 1.00 H new ATOM 0 HB3 TYR A 36 -7.094 1.563 -6.961 1.00 1.00 H new ATOM 0 HD1 TYR A 36 -9.345 3.343 -6.460 1.00 1.00 H new ATOM 0 HD2 TYR A 36 -8.742 -0.695 -5.123 1.00 1.00 H new ATOM 0 HE1 TYR A 36 -10.830 3.766 -4.519 1.00 1.00 H new ATOM 0 HE2 TYR A 36 -10.226 -0.272 -3.181 1.00 1.00 H new ATOM 0 HH TYR A 36 -11.228 2.873 -2.244 1.00 1.00 H new ATOM 554 N ALA A 37 -6.674 2.620 -9.081 1.00 1.00 N ATOM 555 CA ALA A 37 -5.865 3.724 -9.592 1.00 1.00 C ATOM 556 C ALA A 37 -6.589 4.449 -10.722 1.00 1.00 C ATOM 557 O ALA A 37 -6.476 5.666 -10.866 1.00 1.00 O ATOM 558 CB ALA A 37 -4.528 3.189 -10.107 1.00 1.00 C ATOM 0 H ALA A 37 -6.145 1.777 -8.857 1.00 1.00 H new ATOM 0 HA ALA A 37 -5.693 4.429 -8.778 1.00 1.00 H new ATOM 0 HB1 ALA A 37 -3.928 4.015 -10.487 1.00 1.00 H new ATOM 0 HB2 ALA A 37 -3.995 2.698 -9.293 1.00 1.00 H new ATOM 0 HB3 ALA A 37 -4.707 2.472 -10.908 1.00 1.00 H new ATOM 564 N GLN A 38 -7.327 3.690 -11.523 1.00 1.00 N ATOM 565 CA GLN A 38 -8.062 4.262 -12.644 1.00 1.00 C ATOM 566 C GLN A 38 -8.908 5.452 -12.195 1.00 1.00 C ATOM 567 O GLN A 38 -9.045 6.435 -12.923 1.00 1.00 O ATOM 568 CB GLN A 38 -8.967 3.195 -13.262 1.00 1.00 C ATOM 569 CG GLN A 38 -8.470 2.850 -14.668 1.00 1.00 C ATOM 570 CD GLN A 38 -8.690 4.034 -15.603 1.00 1.00 C ATOM 571 OE1 GLN A 38 -9.283 5.106 -15.156 1.00 1.00 O flip ATOM 572 NE2 GLN A 38 -8.311 3.979 -16.774 1.00 1.00 N flip ATOM 0 H GLN A 38 -7.432 2.681 -11.418 1.00 1.00 H new ATOM 0 HA GLN A 38 -7.342 4.611 -13.384 1.00 1.00 H new ATOM 0 HB2 GLN A 38 -8.971 2.302 -12.638 1.00 1.00 H new ATOM 0 HB3 GLN A 38 -9.994 3.557 -13.307 1.00 1.00 H new ATOM 0 HG2 GLN A 38 -7.411 2.593 -14.636 1.00 1.00 H new ATOM 0 HG3 GLN A 38 -8.999 1.975 -15.045 1.00 1.00 H new ATOM 0 HE21 GLN A 38 -7.847 3.139 -17.121 1.00 1.00 H new ATOM 0 HE22 GLN A 38 -8.461 4.773 -17.396 1.00 1.00 H new ATOM 581 N LEU A 39 -9.481 5.355 -11.000 1.00 1.00 N ATOM 582 CA LEU A 39 -10.318 6.428 -10.476 1.00 1.00 C ATOM 583 C LEU A 39 -9.496 7.684 -10.199 1.00 1.00 C ATOM 584 O LEU A 39 -9.977 8.802 -10.386 1.00 1.00 O ATOM 585 CB LEU A 39 -11.007 5.976 -9.182 1.00 1.00 C ATOM 586 CG LEU A 39 -12.509 5.783 -9.424 1.00 1.00 C ATOM 587 CD1 LEU A 39 -12.731 4.592 -10.357 1.00 1.00 C ATOM 588 CD2 LEU A 39 -13.206 5.518 -8.088 1.00 1.00 C ATOM 0 H LEU A 39 -9.382 4.551 -10.380 1.00 1.00 H new ATOM 0 HA LEU A 39 -11.069 6.663 -11.230 1.00 1.00 H new ATOM 0 HB2 LEU A 39 -10.564 5.043 -8.832 1.00 1.00 H new ATOM 0 HB3 LEU A 39 -10.849 6.717 -8.399 1.00 1.00 H new ATOM 0 HG LEU A 39 -12.921 6.682 -9.882 1.00 1.00 H new ATOM 0 HD11 LEU A 39 -13.799 4.457 -10.527 1.00 1.00 H new ATOM 0 HD12 LEU A 39 -12.233 4.777 -11.308 1.00 1.00 H new ATOM 0 HD13 LEU A 39 -12.320 3.691 -9.901 1.00 1.00 H new ATOM 0 HD21 LEU A 39 -14.274 5.380 -8.256 1.00 1.00 H new ATOM 0 HD22 LEU A 39 -12.791 4.618 -7.633 1.00 1.00 H new ATOM 0 HD23 LEU A 39 -13.050 6.366 -7.422 1.00 1.00 H new ATOM 600 N TYR A 40 -8.255 7.501 -9.754 1.00 1.00 N ATOM 601 CA TYR A 40 -7.391 8.640 -9.463 1.00 1.00 C ATOM 602 C TYR A 40 -7.514 9.688 -10.561 1.00 1.00 C ATOM 603 O TYR A 40 -7.753 10.864 -10.287 1.00 1.00 O ATOM 604 CB TYR A 40 -5.935 8.182 -9.346 1.00 1.00 C ATOM 605 CG TYR A 40 -5.063 9.358 -8.964 1.00 1.00 C ATOM 606 CD1 TYR A 40 -5.225 9.972 -7.716 1.00 1.00 C ATOM 607 CD2 TYR A 40 -4.092 9.830 -9.856 1.00 1.00 C ATOM 608 CE1 TYR A 40 -4.416 11.059 -7.361 1.00 1.00 C ATOM 609 CE2 TYR A 40 -3.284 10.915 -9.501 1.00 1.00 C ATOM 610 CZ TYR A 40 -3.446 11.531 -8.253 1.00 1.00 C ATOM 611 OH TYR A 40 -2.649 12.600 -7.902 1.00 1.00 O ATOM 0 H TYR A 40 -7.831 6.588 -9.589 1.00 1.00 H new ATOM 0 HA TYR A 40 -7.703 9.080 -8.516 1.00 1.00 H new ATOM 0 HB2 TYR A 40 -5.850 7.395 -8.597 1.00 1.00 H new ATOM 0 HB3 TYR A 40 -5.599 7.759 -10.293 1.00 1.00 H new ATOM 0 HD1 TYR A 40 -5.973 9.608 -7.028 1.00 1.00 H new ATOM 0 HD2 TYR A 40 -3.967 9.356 -10.818 1.00 1.00 H new ATOM 0 HE1 TYR A 40 -4.541 11.533 -6.399 1.00 1.00 H new ATOM 0 HE2 TYR A 40 -2.535 11.278 -10.189 1.00 1.00 H new ATOM 0 HH TYR A 40 -2.028 12.799 -8.634 1.00 1.00 H new ATOM 621 N GLU A 41 -7.355 9.254 -11.806 1.00 1.00 N ATOM 622 CA GLU A 41 -7.457 10.164 -12.938 1.00 1.00 C ATOM 623 C GLU A 41 -8.703 11.034 -12.807 1.00 1.00 C ATOM 624 O GLU A 41 -8.716 12.184 -13.249 1.00 1.00 O ATOM 625 CB GLU A 41 -7.519 9.370 -14.243 1.00 1.00 C ATOM 626 CG GLU A 41 -6.214 8.592 -14.430 1.00 1.00 C ATOM 627 CD GLU A 41 -6.511 7.103 -14.576 1.00 1.00 C ATOM 628 OE1 GLU A 41 -7.452 6.772 -15.278 1.00 1.00 O ATOM 629 OE2 GLU A 41 -5.791 6.315 -13.984 1.00 1.00 O ATOM 0 H GLU A 41 -7.156 8.285 -12.055 1.00 1.00 H new ATOM 0 HA GLU A 41 -6.576 10.806 -12.949 1.00 1.00 H new ATOM 0 HB2 GLU A 41 -8.365 8.683 -14.223 1.00 1.00 H new ATOM 0 HB3 GLU A 41 -7.676 10.045 -15.084 1.00 1.00 H new ATOM 0 HG2 GLU A 41 -5.688 8.955 -15.313 1.00 1.00 H new ATOM 0 HG3 GLU A 41 -5.556 8.758 -13.577 1.00 1.00 H new ATOM 636 N ASP A 42 -9.746 10.480 -12.196 1.00 1.00 N ATOM 637 CA ASP A 42 -10.993 11.216 -12.014 1.00 1.00 C ATOM 638 C ASP A 42 -10.991 11.948 -10.675 1.00 1.00 C ATOM 639 O ASP A 42 -11.739 12.907 -10.480 1.00 1.00 O ATOM 640 CB ASP A 42 -12.178 10.251 -12.067 1.00 1.00 C ATOM 641 CG ASP A 42 -13.341 10.894 -12.815 1.00 1.00 C ATOM 642 OD1 ASP A 42 -13.547 12.083 -12.639 1.00 1.00 O ATOM 643 OD2 ASP A 42 -14.006 10.188 -13.555 1.00 1.00 O ATOM 0 H ASP A 42 -9.753 9.531 -11.821 1.00 1.00 H new ATOM 0 HA ASP A 42 -11.083 11.948 -12.816 1.00 1.00 H new ATOM 0 HB2 ASP A 42 -11.883 9.326 -12.563 1.00 1.00 H new ATOM 0 HB3 ASP A 42 -12.487 9.986 -11.056 1.00 1.00 H new ATOM 648 N SER A 43 -10.144 11.490 -9.758 1.00 1.00 N ATOM 649 CA SER A 43 -10.045 12.106 -8.437 1.00 1.00 C ATOM 650 C SER A 43 -11.166 11.617 -7.524 1.00 1.00 C ATOM 651 O SER A 43 -11.389 12.173 -6.449 1.00 1.00 O ATOM 652 CB SER A 43 -10.115 13.629 -8.562 1.00 1.00 C ATOM 653 OG SER A 43 -11.465 14.049 -8.422 1.00 1.00 O ATOM 0 H SER A 43 -9.518 10.698 -9.903 1.00 1.00 H new ATOM 0 HA SER A 43 -9.088 11.820 -8.000 1.00 1.00 H new ATOM 0 HB2 SER A 43 -9.495 14.097 -7.797 1.00 1.00 H new ATOM 0 HB3 SER A 43 -9.722 13.945 -9.528 1.00 1.00 H new ATOM 0 HG SER A 43 -12.031 13.543 -9.042 1.00 1.00 H new ATOM 659 N GLN A 44 -11.864 10.569 -7.953 1.00 1.00 N ATOM 660 CA GLN A 44 -12.953 10.015 -7.156 1.00 1.00 C ATOM 661 C GLN A 44 -12.413 8.986 -6.171 1.00 1.00 C ATOM 662 O GLN A 44 -13.133 8.086 -5.738 1.00 1.00 O ATOM 663 CB GLN A 44 -13.988 9.348 -8.064 1.00 1.00 C ATOM 664 CG GLN A 44 -14.547 10.374 -9.050 1.00 1.00 C ATOM 665 CD GLN A 44 -15.621 11.216 -8.372 1.00 1.00 C ATOM 666 OE1 GLN A 44 -15.777 11.135 -7.079 1.00 1.00 O flip ATOM 667 NE2 GLN A 44 -16.332 11.972 -9.034 1.00 1.00 N flip ATOM 0 H GLN A 44 -11.697 10.091 -8.838 1.00 1.00 H new ATOM 0 HA GLN A 44 -13.426 10.829 -6.607 1.00 1.00 H new ATOM 0 HB2 GLN A 44 -13.531 8.520 -8.606 1.00 1.00 H new ATOM 0 HB3 GLN A 44 -14.796 8.929 -7.464 1.00 1.00 H new ATOM 0 HG2 GLN A 44 -13.745 11.016 -9.413 1.00 1.00 H new ATOM 0 HG3 GLN A 44 -14.966 9.866 -9.918 1.00 1.00 H new ATOM 0 HE21 GLN A 44 -16.208 12.034 -10.045 1.00 1.00 H new ATOM 0 HE22 GLN A 44 -17.045 12.537 -8.572 1.00 1.00 H new ATOM 676 N PHE A 45 -11.138 9.121 -5.829 1.00 1.00 N ATOM 677 CA PHE A 45 -10.502 8.196 -4.900 1.00 1.00 C ATOM 678 C PHE A 45 -11.147 8.256 -3.530 1.00 1.00 C ATOM 679 O PHE A 45 -11.360 7.221 -2.900 1.00 1.00 O ATOM 680 CB PHE A 45 -9.014 8.509 -4.780 1.00 1.00 C ATOM 681 CG PHE A 45 -8.221 7.323 -5.270 1.00 1.00 C ATOM 682 CD1 PHE A 45 -8.286 6.954 -6.618 1.00 1.00 C ATOM 683 CD2 PHE A 45 -7.420 6.597 -4.381 1.00 1.00 C ATOM 684 CE1 PHE A 45 -7.549 5.856 -7.079 1.00 1.00 C ATOM 685 CE2 PHE A 45 -6.683 5.499 -4.841 1.00 1.00 C ATOM 686 CZ PHE A 45 -6.747 5.129 -6.191 1.00 1.00 C ATOM 0 H PHE A 45 -10.526 9.858 -6.179 1.00 1.00 H new ATOM 0 HA PHE A 45 -10.632 7.189 -5.295 1.00 1.00 H new ATOM 0 HB2 PHE A 45 -8.767 9.395 -5.366 1.00 1.00 H new ATOM 0 HB3 PHE A 45 -8.758 8.731 -3.744 1.00 1.00 H new ATOM 0 HD1 PHE A 45 -8.904 7.516 -7.303 1.00 1.00 H new ATOM 0 HD2 PHE A 45 -7.370 6.884 -3.341 1.00 1.00 H new ATOM 0 HE1 PHE A 45 -7.599 5.570 -8.119 1.00 1.00 H new ATOM 0 HE2 PHE A 45 -6.065 4.937 -4.156 1.00 1.00 H new ATOM 0 HZ PHE A 45 -6.178 4.283 -6.547 1.00 1.00 H new ATOM 696 N PRO A 46 -11.463 9.421 -3.048 1.00 1.00 N ATOM 697 CA PRO A 46 -12.097 9.547 -1.716 1.00 1.00 C ATOM 698 C PRO A 46 -13.453 8.853 -1.699 1.00 1.00 C ATOM 699 O PRO A 46 -14.384 9.267 -2.388 1.00 1.00 O ATOM 700 CB PRO A 46 -12.249 11.061 -1.507 1.00 1.00 C ATOM 701 CG PRO A 46 -11.392 11.714 -2.546 1.00 1.00 C ATOM 702 CD PRO A 46 -11.252 10.719 -3.695 1.00 1.00 C ATOM 0 HA PRO A 46 -11.508 9.080 -0.926 1.00 1.00 H new ATOM 0 HB2 PRO A 46 -13.290 11.366 -1.613 1.00 1.00 H new ATOM 0 HB3 PRO A 46 -11.933 11.349 -0.504 1.00 1.00 H new ATOM 0 HG2 PRO A 46 -11.845 12.643 -2.893 1.00 1.00 H new ATOM 0 HG3 PRO A 46 -10.415 11.970 -2.136 1.00 1.00 H new ATOM 0 HD2 PRO A 46 -11.988 10.902 -4.477 1.00 1.00 H new ATOM 0 HD3 PRO A 46 -10.269 10.780 -4.162 1.00 1.00 H new ATOM 710 N ILE A 47 -13.548 7.802 -0.897 1.00 1.00 N ATOM 711 CA ILE A 47 -14.786 7.037 -0.769 1.00 1.00 C ATOM 712 C ILE A 47 -14.709 6.142 0.465 1.00 1.00 C ATOM 713 O ILE A 47 -13.699 6.124 1.168 1.00 1.00 O ATOM 714 CB ILE A 47 -15.012 6.153 -2.012 1.00 1.00 C ATOM 715 CG1 ILE A 47 -13.694 5.482 -2.404 1.00 1.00 C ATOM 716 CG2 ILE A 47 -15.518 6.986 -3.200 1.00 1.00 C ATOM 717 CD1 ILE A 47 -13.938 4.003 -2.714 1.00 1.00 C ATOM 0 H ILE A 47 -12.780 7.456 -0.322 1.00 1.00 H new ATOM 0 HA ILE A 47 -15.615 7.739 -0.675 1.00 1.00 H new ATOM 0 HB ILE A 47 -15.764 5.403 -1.765 1.00 1.00 H new ATOM 0 HG12 ILE A 47 -13.267 5.980 -3.274 1.00 1.00 H new ATOM 0 HG13 ILE A 47 -12.971 5.579 -1.594 1.00 1.00 H new ATOM 0 HG21 ILE A 47 -15.668 6.336 -4.062 1.00 1.00 H new ATOM 0 HG22 ILE A 47 -16.462 7.462 -2.935 1.00 1.00 H new ATOM 0 HG23 ILE A 47 -14.783 7.752 -3.447 1.00 1.00 H new ATOM 0 HD11 ILE A 47 -12.997 3.530 -2.993 1.00 1.00 H new ATOM 0 HD12 ILE A 47 -14.346 3.509 -1.832 1.00 1.00 H new ATOM 0 HD13 ILE A 47 -14.646 3.916 -3.538 1.00 1.00 H new ATOM 729 N ASN A 48 -15.777 5.397 0.719 1.00 1.00 N ATOM 730 CA ASN A 48 -15.810 4.500 1.868 1.00 1.00 C ATOM 731 C ASN A 48 -14.752 3.410 1.715 1.00 1.00 C ATOM 732 O ASN A 48 -14.978 2.404 1.044 1.00 1.00 O ATOM 733 CB ASN A 48 -17.197 3.866 1.995 1.00 1.00 C ATOM 734 CG ASN A 48 -17.406 3.354 3.416 1.00 1.00 C ATOM 735 OD1 ASN A 48 -16.388 3.300 4.232 1.00 1.00 O flip ATOM 736 ND2 ASN A 48 -18.518 2.984 3.789 1.00 1.00 N flip ATOM 0 H ASN A 48 -16.625 5.395 0.151 1.00 1.00 H new ATOM 0 HA ASN A 48 -15.596 5.074 2.769 1.00 1.00 H new ATOM 0 HB2 ASN A 48 -17.965 4.598 1.746 1.00 1.00 H new ATOM 0 HB3 ASN A 48 -17.297 3.045 1.285 1.00 1.00 H new ATOM 0 HD21 ASN A 48 -19.311 3.027 3.149 1.00 1.00 H new ATOM 0 HD22 ASN A 48 -18.647 2.634 4.738 1.00 1.00 H new ATOM 743 N ILE A 49 -13.594 3.625 2.333 1.00 1.00 N ATOM 744 CA ILE A 49 -12.497 2.664 2.250 1.00 1.00 C ATOM 745 C ILE A 49 -12.910 1.302 2.803 1.00 1.00 C ATOM 746 O ILE A 49 -12.989 0.327 2.067 1.00 1.00 O ATOM 747 CB ILE A 49 -11.285 3.186 3.026 1.00 1.00 C ATOM 748 CG1 ILE A 49 -10.827 4.515 2.419 1.00 1.00 C ATOM 749 CG2 ILE A 49 -10.148 2.166 2.940 1.00 1.00 C ATOM 750 CD1 ILE A 49 -9.755 5.145 3.311 1.00 1.00 C ATOM 0 H ILE A 49 -13.391 4.452 2.894 1.00 1.00 H new ATOM 0 HA ILE A 49 -12.236 2.543 1.199 1.00 1.00 H new ATOM 0 HB ILE A 49 -11.558 3.338 4.070 1.00 1.00 H new ATOM 0 HG12 ILE A 49 -10.430 4.351 1.417 1.00 1.00 H new ATOM 0 HG13 ILE A 49 -11.675 5.192 2.319 1.00 1.00 H new ATOM 0 HG21 ILE A 49 -9.284 2.536 3.492 1.00 1.00 H new ATOM 0 HG22 ILE A 49 -10.475 1.219 3.370 1.00 1.00 H new ATOM 0 HG23 ILE A 49 -9.873 2.014 1.896 1.00 1.00 H new ATOM 0 HD11 ILE A 49 -9.430 6.091 2.877 1.00 1.00 H new ATOM 0 HD12 ILE A 49 -10.167 5.324 4.304 1.00 1.00 H new ATOM 0 HD13 ILE A 49 -8.903 4.470 3.388 1.00 1.00 H new ATOM 762 N VAL A 50 -13.150 1.242 4.106 1.00 1.00 N ATOM 763 CA VAL A 50 -13.533 -0.015 4.750 1.00 1.00 C ATOM 764 C VAL A 50 -14.473 -0.834 3.862 1.00 1.00 C ATOM 765 O VAL A 50 -14.346 -2.057 3.775 1.00 1.00 O ATOM 766 CB VAL A 50 -14.215 0.267 6.090 1.00 1.00 C ATOM 767 CG1 VAL A 50 -15.220 1.407 5.929 1.00 1.00 C ATOM 768 CG2 VAL A 50 -14.945 -0.992 6.563 1.00 1.00 C ATOM 0 H VAL A 50 -13.088 2.041 4.737 1.00 1.00 H new ATOM 0 HA VAL A 50 -12.624 -0.594 4.914 1.00 1.00 H new ATOM 0 HB VAL A 50 -13.462 0.552 6.825 1.00 1.00 H new ATOM 0 HG11 VAL A 50 -15.703 1.604 6.886 1.00 1.00 H new ATOM 0 HG12 VAL A 50 -14.701 2.305 5.593 1.00 1.00 H new ATOM 0 HG13 VAL A 50 -15.974 1.126 5.193 1.00 1.00 H new ATOM 0 HG21 VAL A 50 -15.432 -0.793 7.518 1.00 1.00 H new ATOM 0 HG22 VAL A 50 -15.695 -1.276 5.825 1.00 1.00 H new ATOM 0 HG23 VAL A 50 -14.228 -1.805 6.683 1.00 1.00 H new ATOM 778 N ALA A 51 -15.425 -0.159 3.228 1.00 1.00 N ATOM 779 CA ALA A 51 -16.401 -0.836 2.374 1.00 1.00 C ATOM 780 C ALA A 51 -15.741 -1.576 1.207 1.00 1.00 C ATOM 781 O ALA A 51 -16.293 -2.552 0.699 1.00 1.00 O ATOM 782 CB ALA A 51 -17.396 0.184 1.827 1.00 1.00 C ATOM 0 H ALA A 51 -15.544 0.852 3.287 1.00 1.00 H new ATOM 0 HA ALA A 51 -16.912 -1.578 2.988 1.00 1.00 H new ATOM 0 HB1 ALA A 51 -18.123 -0.321 1.191 1.00 1.00 H new ATOM 0 HB2 ALA A 51 -17.913 0.668 2.655 1.00 1.00 H new ATOM 0 HB3 ALA A 51 -16.863 0.935 1.244 1.00 1.00 H new ATOM 788 N VAL A 52 -14.566 -1.123 0.783 1.00 1.00 N ATOM 789 CA VAL A 52 -13.874 -1.780 -0.324 1.00 1.00 C ATOM 790 C VAL A 52 -12.946 -2.865 0.208 1.00 1.00 C ATOM 791 O VAL A 52 -12.843 -3.950 -0.367 1.00 1.00 O ATOM 792 CB VAL A 52 -13.095 -0.754 -1.164 1.00 1.00 C ATOM 793 CG1 VAL A 52 -13.781 0.607 -1.063 1.00 1.00 C ATOM 794 CG2 VAL A 52 -11.646 -0.625 -0.674 1.00 1.00 C ATOM 0 H VAL A 52 -14.079 -0.319 1.179 1.00 1.00 H new ATOM 0 HA VAL A 52 -14.616 -2.247 -0.971 1.00 1.00 H new ATOM 0 HB VAL A 52 -13.082 -1.096 -2.199 1.00 1.00 H new ATOM 0 HG11 VAL A 52 -13.231 1.337 -1.657 1.00 1.00 H new ATOM 0 HG12 VAL A 52 -14.802 0.529 -1.438 1.00 1.00 H new ATOM 0 HG13 VAL A 52 -13.801 0.928 -0.022 1.00 1.00 H new ATOM 0 HG21 VAL A 52 -11.119 0.107 -1.286 1.00 1.00 H new ATOM 0 HG22 VAL A 52 -11.641 -0.299 0.366 1.00 1.00 H new ATOM 0 HG23 VAL A 52 -11.148 -1.591 -0.754 1.00 1.00 H new ATOM 804 N LYS A 53 -12.278 -2.566 1.314 1.00 1.00 N ATOM 805 CA LYS A 53 -11.363 -3.515 1.930 1.00 1.00 C ATOM 806 C LYS A 53 -12.076 -4.830 2.210 1.00 1.00 C ATOM 807 O LYS A 53 -11.441 -5.867 2.405 1.00 1.00 O ATOM 808 CB LYS A 53 -10.841 -2.932 3.236 1.00 1.00 C ATOM 809 CG LYS A 53 -10.296 -1.522 2.979 1.00 1.00 C ATOM 810 CD LYS A 53 -9.049 -1.272 3.834 1.00 1.00 C ATOM 811 CE LYS A 53 -9.421 -1.303 5.320 1.00 1.00 C ATOM 812 NZ LYS A 53 -10.365 -0.191 5.618 1.00 1.00 N ATOM 0 H LYS A 53 -12.353 -1.674 1.802 1.00 1.00 H new ATOM 0 HA LYS A 53 -10.533 -3.703 1.249 1.00 1.00 H new ATOM 0 HB2 LYS A 53 -11.640 -2.896 3.977 1.00 1.00 H new ATOM 0 HB3 LYS A 53 -10.056 -3.569 3.644 1.00 1.00 H new ATOM 0 HG2 LYS A 53 -10.051 -1.406 1.923 1.00 1.00 H new ATOM 0 HG3 LYS A 53 -11.060 -0.781 3.212 1.00 1.00 H new ATOM 0 HD2 LYS A 53 -8.295 -2.030 3.623 1.00 1.00 H new ATOM 0 HD3 LYS A 53 -8.611 -0.307 3.580 1.00 1.00 H new ATOM 0 HE2 LYS A 53 -9.878 -2.260 5.572 1.00 1.00 H new ATOM 0 HE3 LYS A 53 -8.524 -1.207 5.932 1.00 1.00 H new ATOM 0 HZ1 LYS A 53 -11.057 -0.504 6.329 1.00 1.00 H new ATOM 0 HZ2 LYS A 53 -9.835 0.625 5.986 1.00 1.00 H new ATOM 0 HZ3 LYS A 53 -10.863 0.084 4.748 1.00 1.00 H new ATOM 969 N LEU A 63 -3.847 -8.199 1.870 1.00 1.00 N ATOM 970 CA LEU A 63 -3.981 -7.105 0.915 1.00 1.00 C ATOM 971 C LEU A 63 -4.974 -6.063 1.421 1.00 1.00 C ATOM 972 O LEU A 63 -5.316 -5.127 0.704 1.00 1.00 O ATOM 973 CB LEU A 63 -4.452 -7.644 -0.441 1.00 1.00 C ATOM 974 CG LEU A 63 -3.552 -7.107 -1.564 1.00 1.00 C ATOM 975 CD1 LEU A 63 -2.124 -7.632 -1.391 1.00 1.00 C ATOM 976 CD2 LEU A 63 -4.090 -7.563 -2.925 1.00 1.00 C ATOM 0 HA LEU A 63 -3.005 -6.633 0.800 1.00 1.00 H new ATOM 0 HB2 LEU A 63 -4.429 -8.734 -0.436 1.00 1.00 H new ATOM 0 HB3 LEU A 63 -5.486 -7.348 -0.620 1.00 1.00 H new ATOM 0 HG LEU A 63 -3.547 -6.018 -1.516 1.00 1.00 H new ATOM 0 HD11 LEU A 63 -1.495 -7.245 -2.192 1.00 1.00 H new ATOM 0 HD12 LEU A 63 -1.730 -7.304 -0.429 1.00 1.00 H new ATOM 0 HD13 LEU A 63 -2.130 -8.721 -1.428 1.00 1.00 H new ATOM 0 HD21 LEU A 63 -3.448 -7.179 -3.717 1.00 1.00 H new ATOM 0 HD22 LEU A 63 -4.103 -8.652 -2.965 1.00 1.00 H new ATOM 0 HD23 LEU A 63 -5.102 -7.182 -3.062 1.00 1.00 H new ATOM 988 N VAL A 64 -5.427 -6.226 2.658 1.00 1.00 N ATOM 989 CA VAL A 64 -6.375 -5.281 3.240 1.00 1.00 C ATOM 990 C VAL A 64 -5.630 -4.151 3.945 1.00 1.00 C ATOM 991 O VAL A 64 -5.969 -2.977 3.788 1.00 1.00 O ATOM 992 CB VAL A 64 -7.290 -6.001 4.236 1.00 1.00 C ATOM 993 CG1 VAL A 64 -7.834 -5.001 5.259 1.00 1.00 C ATOM 994 CG2 VAL A 64 -8.458 -6.638 3.481 1.00 1.00 C ATOM 0 H VAL A 64 -5.158 -6.994 3.273 1.00 1.00 H new ATOM 0 HA VAL A 64 -6.982 -4.858 2.439 1.00 1.00 H new ATOM 0 HB VAL A 64 -6.721 -6.772 4.755 1.00 1.00 H new ATOM 0 HG11 VAL A 64 -8.484 -5.519 5.964 1.00 1.00 H new ATOM 0 HG12 VAL A 64 -7.004 -4.544 5.798 1.00 1.00 H new ATOM 0 HG13 VAL A 64 -8.402 -4.226 4.744 1.00 1.00 H new ATOM 0 HG21 VAL A 64 -9.111 -7.151 4.187 1.00 1.00 H new ATOM 0 HG22 VAL A 64 -9.022 -5.863 2.962 1.00 1.00 H new ATOM 0 HG23 VAL A 64 -8.074 -7.355 2.755 1.00 1.00 H new ATOM 1004 N GLU A 65 -4.620 -4.517 4.723 1.00 1.00 N ATOM 1005 CA GLU A 65 -3.829 -3.534 5.453 1.00 1.00 C ATOM 1006 C GLU A 65 -3.187 -2.518 4.506 1.00 1.00 C ATOM 1007 O GLU A 65 -3.503 -1.330 4.564 1.00 1.00 O ATOM 1008 CB GLU A 65 -2.744 -4.235 6.273 1.00 1.00 C ATOM 1009 CG GLU A 65 -3.196 -4.337 7.731 1.00 1.00 C ATOM 1010 CD GLU A 65 -2.255 -5.254 8.506 1.00 1.00 C ATOM 1011 OE1 GLU A 65 -1.073 -5.247 8.207 1.00 1.00 O ATOM 1012 OE2 GLU A 65 -2.732 -5.951 9.387 1.00 1.00 O ATOM 0 H GLU A 65 -4.329 -5.484 4.865 1.00 1.00 H new ATOM 0 HA GLU A 65 -4.501 -2.997 6.122 1.00 1.00 H new ATOM 0 HB2 GLU A 65 -2.553 -5.229 5.869 1.00 1.00 H new ATOM 0 HB3 GLU A 65 -1.808 -3.680 6.209 1.00 1.00 H new ATOM 0 HG2 GLU A 65 -3.209 -3.347 8.186 1.00 1.00 H new ATOM 0 HG3 GLU A 65 -4.214 -4.723 7.779 1.00 1.00 H new ATOM 1019 N PRO A 66 -2.295 -2.947 3.643 1.00 1.00 N ATOM 1020 CA PRO A 66 -1.610 -2.031 2.685 1.00 1.00 C ATOM 1021 C PRO A 66 -2.597 -1.217 1.851 1.00 1.00 C ATOM 1022 O PRO A 66 -2.384 -0.028 1.612 1.00 1.00 O ATOM 1023 CB PRO A 66 -0.772 -2.960 1.794 1.00 1.00 C ATOM 1024 CG PRO A 66 -1.250 -4.346 2.073 1.00 1.00 C ATOM 1025 CD PRO A 66 -1.838 -4.335 3.477 1.00 1.00 C ATOM 0 HA PRO A 66 -1.005 -1.290 3.208 1.00 1.00 H new ATOM 0 HB2 PRO A 66 -0.899 -2.709 0.741 1.00 1.00 H new ATOM 0 HB3 PRO A 66 0.290 -2.862 2.019 1.00 1.00 H new ATOM 0 HG2 PRO A 66 -1.999 -4.651 1.343 1.00 1.00 H new ATOM 0 HG3 PRO A 66 -0.429 -5.059 2.004 1.00 1.00 H new ATOM 0 HD2 PRO A 66 -2.661 -5.043 3.574 1.00 1.00 H new ATOM 0 HD3 PRO A 66 -1.094 -4.606 4.226 1.00 1.00 H new ATOM 1033 N LEU A 67 -3.674 -1.857 1.409 1.00 1.00 N ATOM 1034 CA LEU A 67 -4.675 -1.168 0.602 1.00 1.00 C ATOM 1035 C LEU A 67 -5.216 0.047 1.352 1.00 1.00 C ATOM 1036 O LEU A 67 -5.348 1.129 0.785 1.00 1.00 O ATOM 1037 CB LEU A 67 -5.826 -2.123 0.255 1.00 1.00 C ATOM 1038 CG LEU A 67 -6.826 -1.437 -0.682 1.00 1.00 C ATOM 1039 CD1 LEU A 67 -6.153 -1.104 -2.016 1.00 1.00 C ATOM 1040 CD2 LEU A 67 -8.006 -2.377 -0.935 1.00 1.00 C ATOM 0 H LEU A 67 -3.875 -2.840 1.593 1.00 1.00 H new ATOM 0 HA LEU A 67 -4.204 -0.831 -0.321 1.00 1.00 H new ATOM 0 HB2 LEU A 67 -5.431 -3.021 -0.219 1.00 1.00 H new ATOM 0 HB3 LEU A 67 -6.331 -2.440 1.167 1.00 1.00 H new ATOM 0 HG LEU A 67 -7.176 -0.515 -0.218 1.00 1.00 H new ATOM 0 HD11 LEU A 67 -6.872 -0.617 -2.675 1.00 1.00 H new ATOM 0 HD12 LEU A 67 -5.310 -0.435 -1.841 1.00 1.00 H new ATOM 0 HD13 LEU A 67 -5.797 -2.022 -2.483 1.00 1.00 H new ATOM 0 HD21 LEU A 67 -8.720 -1.893 -1.601 1.00 1.00 H new ATOM 0 HD22 LEU A 67 -7.646 -3.297 -1.395 1.00 1.00 H new ATOM 0 HD23 LEU A 67 -8.494 -2.611 0.011 1.00 1.00 H new ATOM 1052 N CYS A 68 -5.523 -0.141 2.631 1.00 1.00 N ATOM 1053 CA CYS A 68 -6.045 0.952 3.443 1.00 1.00 C ATOM 1054 C CYS A 68 -5.005 2.060 3.575 1.00 1.00 C ATOM 1055 O CYS A 68 -5.319 3.173 3.999 1.00 1.00 O ATOM 1056 CB CYS A 68 -6.423 0.437 4.833 1.00 1.00 C ATOM 1057 SG CYS A 68 -5.117 0.864 6.011 1.00 1.00 S ATOM 0 H CYS A 68 -5.421 -1.029 3.123 1.00 1.00 H new ATOM 0 HA CYS A 68 -6.932 1.354 2.953 1.00 1.00 H new ATOM 0 HB2 CYS A 68 -7.370 0.874 5.149 1.00 1.00 H new ATOM 0 HB3 CYS A 68 -6.564 -0.643 4.806 1.00 1.00 H new ATOM 0 HG CYS A 68 -4.075 0.117 5.794 1.00 1.00 H new ATOM 1063 N ARG A 69 -3.768 1.746 3.207 1.00 1.00 N ATOM 1064 CA ARG A 69 -2.687 2.720 3.286 1.00 1.00 C ATOM 1065 C ARG A 69 -2.617 3.549 2.008 1.00 1.00 C ATOM 1066 O ARG A 69 -2.460 4.768 2.057 1.00 1.00 O ATOM 1067 CB ARG A 69 -1.355 2.002 3.504 1.00 1.00 C ATOM 1068 CG ARG A 69 -0.422 2.892 4.328 1.00 1.00 C ATOM 1069 CD ARG A 69 1.006 2.351 4.241 1.00 1.00 C ATOM 1070 NE ARG A 69 1.620 2.744 2.979 1.00 1.00 N ATOM 1071 CZ ARG A 69 2.785 2.234 2.593 1.00 1.00 C ATOM 1072 NH1 ARG A 69 3.398 1.364 3.349 1.00 1.00 N ATOM 1073 NH2 ARG A 69 3.316 2.601 1.459 1.00 1.00 N ATOM 0 H ARG A 69 -3.490 0.831 2.853 1.00 1.00 H new ATOM 0 HA ARG A 69 -2.883 3.386 4.126 1.00 1.00 H new ATOM 0 HB2 ARG A 69 -1.520 1.056 4.019 1.00 1.00 H new ATOM 0 HB3 ARG A 69 -0.896 1.766 2.544 1.00 1.00 H new ATOM 0 HG2 ARG A 69 -0.458 3.916 3.957 1.00 1.00 H new ATOM 0 HG3 ARG A 69 -0.750 2.918 5.367 1.00 1.00 H new ATOM 0 HD2 ARG A 69 1.597 2.730 5.074 1.00 1.00 H new ATOM 0 HD3 ARG A 69 0.996 1.264 4.326 1.00 1.00 H new ATOM 0 HE ARG A 69 1.147 3.422 2.382 1.00 1.00 H new ATOM 0 HH11 ARG A 69 2.983 1.076 4.235 1.00 1.00 H new ATOM 0 HH12 ARG A 69 4.292 0.972 3.054 1.00 1.00 H new ATOM 0 HH21 ARG A 69 2.837 3.280 0.868 1.00 1.00 H new ATOM 0 HH22 ARG A 69 4.210 2.209 1.164 1.00 1.00 H new ATOM 1087 N ARG A 70 -2.731 2.877 0.867 1.00 1.00 N ATOM 1088 CA ARG A 70 -2.676 3.563 -0.420 1.00 1.00 C ATOM 1089 C ARG A 70 -3.908 4.440 -0.625 1.00 1.00 C ATOM 1090 O ARG A 70 -3.792 5.655 -0.784 1.00 1.00 O ATOM 1091 CB ARG A 70 -2.582 2.541 -1.559 1.00 1.00 C ATOM 1092 CG ARG A 70 -1.498 1.497 -1.258 1.00 1.00 C ATOM 1093 CD ARG A 70 -0.234 2.169 -0.713 1.00 1.00 C ATOM 1094 NE ARG A 70 0.886 1.235 -0.759 1.00 1.00 N ATOM 1095 CZ ARG A 70 2.140 1.662 -0.876 1.00 1.00 C ATOM 1096 NH1 ARG A 70 2.391 2.941 -0.927 1.00 1.00 N ATOM 1097 NH2 ARG A 70 3.118 0.800 -0.938 1.00 1.00 N ATOM 0 H ARG A 70 -2.861 1.867 0.806 1.00 1.00 H new ATOM 0 HA ARG A 70 -1.790 4.198 -0.425 1.00 1.00 H new ATOM 0 HB2 ARG A 70 -3.544 2.046 -1.692 1.00 1.00 H new ATOM 0 HB3 ARG A 70 -2.354 3.051 -2.495 1.00 1.00 H new ATOM 0 HG2 ARG A 70 -1.873 0.775 -0.533 1.00 1.00 H new ATOM 0 HG3 ARG A 70 -1.258 0.942 -2.165 1.00 1.00 H new ATOM 0 HD2 ARG A 70 -0.002 3.057 -1.301 1.00 1.00 H new ATOM 0 HD3 ARG A 70 -0.401 2.500 0.312 1.00 1.00 H new ATOM 0 HE ARG A 70 0.703 0.233 -0.700 1.00 1.00 H new ATOM 0 HH11 ARG A 70 1.626 3.613 -0.877 1.00 1.00 H new ATOM 0 HH12 ARG A 70 3.353 3.269 -1.017 1.00 1.00 H new ATOM 0 HH21 ARG A 70 2.920 -0.200 -0.897 1.00 1.00 H new ATOM 0 HH22 ARG A 70 4.080 1.126 -1.028 1.00 1.00 H new ATOM 1111 N LEU A 71 -5.086 3.825 -0.623 1.00 1.00 N ATOM 1112 CA LEU A 71 -6.318 4.578 -0.816 1.00 1.00 C ATOM 1113 C LEU A 71 -6.340 5.798 0.097 1.00 1.00 C ATOM 1114 O LEU A 71 -6.654 6.906 -0.336 1.00 1.00 O ATOM 1115 CB LEU A 71 -7.532 3.692 -0.526 1.00 1.00 C ATOM 1116 CG LEU A 71 -7.443 2.406 -1.350 1.00 1.00 C ATOM 1117 CD1 LEU A 71 -8.659 1.532 -1.060 1.00 1.00 C ATOM 1118 CD2 LEU A 71 -7.413 2.748 -2.841 1.00 1.00 C ATOM 0 H LEU A 71 -5.213 2.821 -0.492 1.00 1.00 H new ATOM 0 HA LEU A 71 -6.361 4.910 -1.853 1.00 1.00 H new ATOM 0 HB2 LEU A 71 -7.573 3.452 0.536 1.00 1.00 H new ATOM 0 HB3 LEU A 71 -8.450 4.227 -0.768 1.00 1.00 H new ATOM 0 HG LEU A 71 -6.532 1.871 -1.082 1.00 1.00 H new ATOM 0 HD11 LEU A 71 -8.597 0.615 -1.647 1.00 1.00 H new ATOM 0 HD12 LEU A 71 -8.683 1.283 0.001 1.00 1.00 H new ATOM 0 HD13 LEU A 71 -9.567 2.072 -1.327 1.00 1.00 H new ATOM 0 HD21 LEU A 71 -7.350 1.829 -3.424 1.00 1.00 H new ATOM 0 HD22 LEU A 71 -8.322 3.286 -3.109 1.00 1.00 H new ATOM 0 HD23 LEU A 71 -6.546 3.373 -3.054 1.00 1.00 H new ATOM 1130 N ASN A 72 -6.004 5.587 1.365 1.00 1.00 N ATOM 1131 CA ASN A 72 -5.986 6.679 2.332 1.00 1.00 C ATOM 1132 C ASN A 72 -5.031 7.780 1.881 1.00 1.00 C ATOM 1133 O ASN A 72 -5.285 8.963 2.103 1.00 1.00 O ATOM 1134 CB ASN A 72 -5.555 6.155 3.703 1.00 1.00 C ATOM 1135 CG ASN A 72 -5.427 7.316 4.683 1.00 1.00 C ATOM 1136 OD1 ASN A 72 -4.446 8.058 4.643 1.00 1.00 O ATOM 1137 ND2 ASN A 72 -6.369 7.520 5.564 1.00 1.00 N ATOM 0 H ASN A 72 -5.742 4.677 1.745 1.00 1.00 H new ATOM 0 HA ASN A 72 -6.992 7.094 2.402 1.00 1.00 H new ATOM 0 HB2 ASN A 72 -6.284 5.434 4.073 1.00 1.00 H new ATOM 0 HB3 ASN A 72 -4.603 5.631 3.619 1.00 1.00 H new ATOM 0 HD21 ASN A 72 -6.293 8.296 6.221 1.00 1.00 H new ATOM 0 HD22 ASN A 72 -7.181 6.903 5.595 1.00 1.00 H new ATOM 1144 N THR A 73 -3.931 7.384 1.249 1.00 1.00 N ATOM 1145 CA THR A 73 -2.944 8.350 0.773 1.00 1.00 C ATOM 1146 C THR A 73 -3.549 9.252 -0.296 1.00 1.00 C ATOM 1147 O THR A 73 -3.557 10.475 -0.157 1.00 1.00 O ATOM 1148 CB THR A 73 -1.728 7.620 0.200 1.00 1.00 C ATOM 1149 OG1 THR A 73 -1.316 6.605 1.106 1.00 1.00 O ATOM 1150 CG2 THR A 73 -0.586 8.615 -0.007 1.00 1.00 C ATOM 0 H THR A 73 -3.700 6.410 1.055 1.00 1.00 H new ATOM 0 HA THR A 73 -2.632 8.965 1.617 1.00 1.00 H new ATOM 0 HB THR A 73 -1.992 7.168 -0.756 1.00 1.00 H new ATOM 0 HG1 THR A 73 -1.889 5.817 0.998 1.00 1.00 H new ATOM 0 HG21 THR A 73 0.280 8.095 -0.415 1.00 1.00 H new ATOM 0 HG22 THR A 73 -0.903 9.393 -0.702 1.00 1.00 H new ATOM 0 HG23 THR A 73 -0.320 9.068 0.948 1.00 1.00 H new ATOM 1158 N LEU A 74 -4.054 8.646 -1.364 1.00 1.00 N ATOM 1159 CA LEU A 74 -4.658 9.414 -2.445 1.00 1.00 C ATOM 1160 C LEU A 74 -5.862 10.193 -1.931 1.00 1.00 C ATOM 1161 O LEU A 74 -5.978 11.395 -2.163 1.00 1.00 O ATOM 1162 CB LEU A 74 -5.097 8.481 -3.574 1.00 1.00 C ATOM 1163 CG LEU A 74 -4.119 8.589 -4.745 1.00 1.00 C ATOM 1164 CD1 LEU A 74 -2.701 8.308 -4.252 1.00 1.00 C ATOM 1165 CD2 LEU A 74 -4.496 7.568 -5.821 1.00 1.00 C ATOM 0 H LEU A 74 -4.058 7.636 -1.504 1.00 1.00 H new ATOM 0 HA LEU A 74 -3.916 10.115 -2.827 1.00 1.00 H new ATOM 0 HB2 LEU A 74 -5.136 7.453 -3.214 1.00 1.00 H new ATOM 0 HB3 LEU A 74 -6.103 8.742 -3.903 1.00 1.00 H new ATOM 0 HG LEU A 74 -4.166 9.594 -5.165 1.00 1.00 H new ATOM 0 HD11 LEU A 74 -2.004 8.385 -5.086 1.00 1.00 H new ATOM 0 HD12 LEU A 74 -2.431 9.035 -3.486 1.00 1.00 H new ATOM 0 HD13 LEU A 74 -2.654 7.303 -3.832 1.00 1.00 H new ATOM 0 HD21 LEU A 74 -3.799 7.645 -6.656 1.00 1.00 H new ATOM 0 HD22 LEU A 74 -4.450 6.563 -5.401 1.00 1.00 H new ATOM 0 HD23 LEU A 74 -5.508 7.768 -6.174 1.00 1.00 H new ATOM 1177 N ASN A 75 -6.753 9.502 -1.227 1.00 1.00 N ATOM 1178 CA ASN A 75 -7.941 10.146 -0.683 1.00 1.00 C ATOM 1179 C ASN A 75 -7.567 11.461 -0.005 1.00 1.00 C ATOM 1180 O ASN A 75 -8.389 12.372 0.105 1.00 1.00 O ATOM 1181 CB ASN A 75 -8.618 9.222 0.332 1.00 1.00 C ATOM 1182 CG ASN A 75 -9.178 7.992 -0.371 1.00 1.00 C ATOM 1183 OD1 ASN A 75 -9.391 8.010 -1.583 1.00 1.00 O ATOM 1184 ND2 ASN A 75 -9.428 6.917 0.323 1.00 1.00 N ATOM 0 H ASN A 75 -6.676 8.506 -1.022 1.00 1.00 H new ATOM 0 HA ASN A 75 -8.631 10.351 -1.502 1.00 1.00 H new ATOM 0 HB2 ASN A 75 -7.901 8.919 1.095 1.00 1.00 H new ATOM 0 HB3 ASN A 75 -9.420 9.755 0.842 1.00 1.00 H new ATOM 0 HD21 ASN A 75 -9.801 6.087 -0.138 1.00 1.00 H new ATOM 0 HD22 ASN A 75 -9.250 6.906 1.327 1.00 1.00 H new ATOM 1191 N LYS A 76 -6.320 11.549 0.447 1.00 1.00 N ATOM 1192 CA LYS A 76 -5.838 12.750 1.113 1.00 1.00 C ATOM 1193 C LYS A 76 -5.176 13.688 0.111 1.00 1.00 C ATOM 1194 O LYS A 76 -5.133 14.902 0.314 1.00 1.00 O ATOM 1195 CB LYS A 76 -4.829 12.367 2.195 1.00 1.00 C ATOM 1196 CG LYS A 76 -5.561 11.718 3.366 1.00 1.00 C ATOM 1197 CD LYS A 76 -4.545 11.117 4.337 1.00 1.00 C ATOM 1198 CE LYS A 76 -5.258 10.684 5.620 1.00 1.00 C ATOM 1199 NZ LYS A 76 -4.385 9.745 6.381 1.00 1.00 N ATOM 0 H LYS A 76 -5.628 10.804 0.364 1.00 1.00 H new ATOM 0 HA LYS A 76 -6.687 13.262 1.566 1.00 1.00 H new ATOM 0 HB2 LYS A 76 -4.088 11.679 1.789 1.00 1.00 H new ATOM 0 HB3 LYS A 76 -4.290 13.252 2.534 1.00 1.00 H new ATOM 0 HG2 LYS A 76 -6.175 12.458 3.879 1.00 1.00 H new ATOM 0 HG3 LYS A 76 -6.234 10.942 3.002 1.00 1.00 H new ATOM 0 HD2 LYS A 76 -4.049 10.262 3.878 1.00 1.00 H new ATOM 0 HD3 LYS A 76 -3.770 11.848 4.568 1.00 1.00 H new ATOM 0 HE2 LYS A 76 -5.492 11.556 6.231 1.00 1.00 H new ATOM 0 HE3 LYS A 76 -6.205 10.202 5.377 1.00 1.00 H new ATOM 0 HZ1 LYS A 76 -4.901 9.385 7.209 1.00 1.00 H new ATOM 0 HZ2 LYS A 76 -4.114 8.949 5.769 1.00 1.00 H new ATOM 0 HZ3 LYS A 76 -3.530 10.245 6.697 1.00 1.00 H new ATOM 1213 N CYS A 77 -4.653 13.114 -0.965 1.00 1.00 N ATOM 1214 CA CYS A 77 -3.984 13.900 -1.993 1.00 1.00 C ATOM 1215 C CYS A 77 -4.941 14.223 -3.137 1.00 1.00 C ATOM 1216 O CYS A 77 -4.612 15.002 -4.032 1.00 1.00 O ATOM 1217 CB CYS A 77 -2.783 13.121 -2.528 1.00 1.00 C ATOM 1218 SG CYS A 77 -1.741 14.221 -3.519 1.00 1.00 S ATOM 0 H CYS A 77 -4.679 12.111 -1.148 1.00 1.00 H new ATOM 0 HA CYS A 77 -3.647 14.838 -1.552 1.00 1.00 H new ATOM 0 HB2 CYS A 77 -2.208 12.706 -1.700 1.00 1.00 H new ATOM 0 HB3 CYS A 77 -3.122 12.281 -3.134 1.00 1.00 H new ATOM 0 HG CYS A 77 -2.493 15.033 -4.201 1.00 1.00 H new ATOM 1224 N ALA A 78 -6.124 13.621 -3.101 1.00 1.00 N ATOM 1225 CA ALA A 78 -7.122 13.851 -4.140 1.00 1.00 C ATOM 1226 C ALA A 78 -7.858 15.164 -3.892 1.00 1.00 C ATOM 1227 O ALA A 78 -8.665 15.598 -4.714 1.00 1.00 O ATOM 1228 CB ALA A 78 -8.126 12.697 -4.163 1.00 1.00 C ATOM 0 H ALA A 78 -6.415 12.974 -2.369 1.00 1.00 H new ATOM 0 HA ALA A 78 -6.613 13.908 -5.102 1.00 1.00 H new ATOM 0 HB1 ALA A 78 -8.868 12.876 -4.941 1.00 1.00 H new ATOM 0 HB2 ALA A 78 -7.602 11.763 -4.368 1.00 1.00 H new ATOM 0 HB3 ALA A 78 -8.624 12.629 -3.196 1.00 1.00 H new