USER MOD reduce.3.24.130724 H: found=0, std=0, add=397, rem=0, adj=11 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 Single : A 22 LYS NZ :NH3+ -139:sc= -2.51 (180deg=-4.09!) USER MOD Single : A 25 CYS SG : rot -85:sc= 0.973 USER MOD Single : A 35 GLN : amide:sc= -2.5! C(o=-2.5!,f=-2.8!) USER MOD Single : A 36 TYR OH : rot 180:sc= -0.493 USER MOD Single : A 38 GLN : amide:sc= -1.86! X(o=-1.9!,f=-1.5) USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 SER OG : rot -80:sc= 0.683 USER MOD Single : A 44 GLN : amide:sc= -0.047 X(o=-0.047,f=0) USER MOD Single : A 48 ASN : amide:sc= -0.0915 K(o=-0.091,f=-3.1!) USER MOD Single : A 53 LYS NZ :NH3+ 149:sc= -0.0769 (180deg=-1.51) USER MOD Single : A 68 CYS SG : rot 31:sc= 0.877 USER MOD Single : A 72 ASN :FLIP amide:sc= -1.6 F(o=-2.4!,f=-1.6) USER MOD Single : A 73 THR OG1 : rot 93:sc= 1.23 USER MOD Single : A 75 ASN : amide:sc= -9.48! C(o=-9.5!,f=-14!) USER MOD Single : A 76 LYS NZ :NH3+ -138:sc= -2.04 (180deg=-4.64!) USER MOD Single : A 77 CYS SG : rot 75:sc= 0.0434 USER MOD ----------------------------------------------------------------- ATOM 293 N GLU A 20 4.562 8.939 -2.366 1.00 1.00 N ATOM 294 CA GLU A 20 3.670 7.939 -1.795 1.00 1.00 C ATOM 295 C GLU A 20 2.426 7.783 -2.662 1.00 1.00 C ATOM 296 O GLU A 20 2.009 6.668 -2.970 1.00 1.00 O ATOM 297 CB GLU A 20 3.259 8.349 -0.380 1.00 1.00 C ATOM 298 CG GLU A 20 4.100 7.581 0.639 1.00 1.00 C ATOM 299 CD GLU A 20 5.584 7.822 0.380 1.00 1.00 C ATOM 300 OE1 GLU A 20 6.161 7.071 -0.390 1.00 1.00 O ATOM 301 OE2 GLU A 20 6.122 8.752 0.956 1.00 1.00 O ATOM 0 HA GLU A 20 4.198 6.986 -1.755 1.00 1.00 H new ATOM 0 HB2 GLU A 20 3.397 9.422 -0.246 1.00 1.00 H new ATOM 0 HB3 GLU A 20 2.200 8.142 -0.223 1.00 1.00 H new ATOM 0 HG2 GLU A 20 3.842 7.900 1.649 1.00 1.00 H new ATOM 0 HG3 GLU A 20 3.880 6.515 0.575 1.00 1.00 H new ATOM 308 N ALA A 21 1.838 8.909 -3.051 1.00 1.00 N ATOM 309 CA ALA A 21 0.640 8.883 -3.881 1.00 1.00 C ATOM 310 C ALA A 21 0.894 8.102 -5.168 1.00 1.00 C ATOM 311 O ALA A 21 0.158 7.171 -5.494 1.00 1.00 O ATOM 312 CB ALA A 21 0.205 10.308 -4.225 1.00 1.00 C ATOM 0 H ALA A 21 2.168 9.843 -2.808 1.00 1.00 H new ATOM 0 HA ALA A 21 -0.153 8.389 -3.319 1.00 1.00 H new ATOM 0 HB1 ALA A 21 -0.691 10.275 -4.845 1.00 1.00 H new ATOM 0 HB2 ALA A 21 -0.009 10.855 -3.307 1.00 1.00 H new ATOM 0 HB3 ALA A 21 1.005 10.811 -4.769 1.00 1.00 H new ATOM 318 N LYS A 22 1.937 8.492 -5.896 1.00 1.00 N ATOM 319 CA LYS A 22 2.276 7.823 -7.148 1.00 1.00 C ATOM 320 C LYS A 22 2.437 6.321 -6.937 1.00 1.00 C ATOM 321 O LYS A 22 1.887 5.518 -7.689 1.00 1.00 O ATOM 322 CB LYS A 22 3.573 8.403 -7.715 1.00 1.00 C ATOM 323 CG LYS A 22 3.335 9.849 -8.169 1.00 1.00 C ATOM 324 CD LYS A 22 3.341 9.943 -9.705 1.00 1.00 C ATOM 325 CE LYS A 22 2.103 9.250 -10.290 1.00 1.00 C ATOM 326 NZ LYS A 22 2.333 7.780 -10.355 1.00 1.00 N ATOM 0 H LYS A 22 2.557 9.261 -5.643 1.00 1.00 H new ATOM 0 HA LYS A 22 1.462 7.989 -7.854 1.00 1.00 H new ATOM 0 HB2 LYS A 22 4.358 8.373 -6.959 1.00 1.00 H new ATOM 0 HB3 LYS A 22 3.917 7.799 -8.555 1.00 1.00 H new ATOM 0 HG2 LYS A 22 2.381 10.205 -7.781 1.00 1.00 H new ATOM 0 HG3 LYS A 22 4.108 10.497 -7.757 1.00 1.00 H new ATOM 0 HD2 LYS A 22 3.358 10.989 -10.011 1.00 1.00 H new ATOM 0 HD3 LYS A 22 4.245 9.480 -10.100 1.00 1.00 H new ATOM 0 HE2 LYS A 22 1.230 9.464 -9.674 1.00 1.00 H new ATOM 0 HE3 LYS A 22 1.893 9.639 -11.286 1.00 1.00 H new ATOM 0 HZ1 LYS A 22 1.955 7.409 -11.250 1.00 1.00 H new ATOM 0 HZ2 LYS A 22 3.353 7.586 -10.303 1.00 1.00 H new ATOM 0 HZ3 LYS A 22 1.851 7.318 -9.558 1.00 1.00 H new ATOM 340 N GLU A 23 3.192 5.947 -5.909 1.00 1.00 N ATOM 341 CA GLU A 23 3.410 4.541 -5.614 1.00 1.00 C ATOM 342 C GLU A 23 2.086 3.891 -5.264 1.00 1.00 C ATOM 343 O GLU A 23 1.720 2.856 -5.815 1.00 1.00 O ATOM 344 CB GLU A 23 4.386 4.395 -4.447 1.00 1.00 C ATOM 345 CG GLU A 23 5.768 4.015 -4.982 1.00 1.00 C ATOM 346 CD GLU A 23 5.782 2.545 -5.390 1.00 1.00 C ATOM 347 OE1 GLU A 23 5.208 1.746 -4.668 1.00 1.00 O ATOM 348 OE2 GLU A 23 6.358 2.243 -6.420 1.00 1.00 O ATOM 0 H GLU A 23 3.658 6.594 -5.273 1.00 1.00 H new ATOM 0 HA GLU A 23 3.836 4.051 -6.489 1.00 1.00 H new ATOM 0 HB2 GLU A 23 4.445 5.330 -3.889 1.00 1.00 H new ATOM 0 HB3 GLU A 23 4.030 3.632 -3.755 1.00 1.00 H new ATOM 0 HG2 GLU A 23 6.021 4.641 -5.838 1.00 1.00 H new ATOM 0 HG3 GLU A 23 6.525 4.197 -4.219 1.00 1.00 H new ATOM 355 N ALA A 24 1.373 4.515 -4.341 1.00 1.00 N ATOM 356 CA ALA A 24 0.084 4.009 -3.912 1.00 1.00 C ATOM 357 C ALA A 24 -0.741 3.538 -5.106 1.00 1.00 C ATOM 358 O ALA A 24 -1.314 2.449 -5.088 1.00 1.00 O ATOM 359 CB ALA A 24 -0.666 5.114 -3.171 1.00 1.00 C ATOM 0 H ALA A 24 1.667 5.373 -3.875 1.00 1.00 H new ATOM 0 HA ALA A 24 0.243 3.157 -3.251 1.00 1.00 H new ATOM 0 HB1 ALA A 24 -1.637 4.740 -2.846 1.00 1.00 H new ATOM 0 HB2 ALA A 24 -0.088 5.427 -2.302 1.00 1.00 H new ATOM 0 HB3 ALA A 24 -0.810 5.965 -3.836 1.00 1.00 H new ATOM 365 N CYS A 25 -0.800 4.371 -6.137 1.00 1.00 N ATOM 366 CA CYS A 25 -1.564 4.040 -7.337 1.00 1.00 C ATOM 367 C CYS A 25 -0.825 3.016 -8.197 1.00 1.00 C ATOM 368 O CYS A 25 -1.436 2.101 -8.746 1.00 1.00 O ATOM 369 CB CYS A 25 -1.815 5.307 -8.158 1.00 1.00 C ATOM 370 SG CYS A 25 -1.421 4.988 -9.896 1.00 1.00 S ATOM 0 H CYS A 25 -0.331 5.276 -6.169 1.00 1.00 H new ATOM 0 HA CYS A 25 -2.514 3.607 -7.024 1.00 1.00 H new ATOM 0 HB2 CYS A 25 -2.856 5.616 -8.061 1.00 1.00 H new ATOM 0 HB3 CYS A 25 -1.203 6.126 -7.780 1.00 1.00 H new ATOM 0 HG CYS A 25 -0.148 5.162 -10.091 1.00 1.00 H new ATOM 376 N ASP A 26 0.488 3.179 -8.311 1.00 1.00 N ATOM 377 CA ASP A 26 1.296 2.263 -9.111 1.00 1.00 C ATOM 378 C ASP A 26 1.498 0.941 -8.377 1.00 1.00 C ATOM 379 O ASP A 26 1.967 -0.039 -8.957 1.00 1.00 O ATOM 380 CB ASP A 26 2.655 2.895 -9.412 1.00 1.00 C ATOM 381 CG ASP A 26 2.461 4.265 -10.055 1.00 1.00 C ATOM 382 OD1 ASP A 26 1.387 4.823 -9.900 1.00 1.00 O ATOM 383 OD2 ASP A 26 3.391 4.737 -10.689 1.00 1.00 O ATOM 0 H ASP A 26 1.014 3.930 -7.864 1.00 1.00 H new ATOM 0 HA ASP A 26 0.770 2.067 -10.046 1.00 1.00 H new ATOM 0 HB2 ASP A 26 3.231 2.994 -8.492 1.00 1.00 H new ATOM 0 HB3 ASP A 26 3.227 2.249 -10.078 1.00 1.00 H new ATOM 388 N TRP A 27 1.149 0.926 -7.097 1.00 1.00 N ATOM 389 CA TRP A 27 1.298 -0.272 -6.283 1.00 1.00 C ATOM 390 C TRP A 27 0.008 -1.086 -6.287 1.00 1.00 C ATOM 391 O TRP A 27 0.039 -2.318 -6.297 1.00 1.00 O ATOM 392 CB TRP A 27 1.657 0.120 -4.848 1.00 1.00 C ATOM 393 CG TRP A 27 1.829 -1.110 -4.016 1.00 1.00 C ATOM 394 CD1 TRP A 27 2.998 -1.769 -3.836 1.00 1.00 C ATOM 395 CD2 TRP A 27 0.827 -1.838 -3.249 1.00 1.00 C ATOM 396 NE1 TRP A 27 2.776 -2.854 -3.007 1.00 1.00 N ATOM 397 CE2 TRP A 27 1.453 -2.939 -2.620 1.00 1.00 C ATOM 398 CE3 TRP A 27 -0.552 -1.651 -3.042 1.00 1.00 C ATOM 399 CZ2 TRP A 27 0.738 -3.823 -1.811 1.00 1.00 C ATOM 400 CZ3 TRP A 27 -1.274 -2.539 -2.228 1.00 1.00 C ATOM 401 CH2 TRP A 27 -0.631 -3.623 -1.615 1.00 1.00 C ATOM 0 H TRP A 27 0.761 1.729 -6.601 1.00 1.00 H new ATOM 0 HA TRP A 27 2.097 -0.883 -6.704 1.00 1.00 H new ATOM 0 HB2 TRP A 27 2.575 0.707 -4.840 1.00 1.00 H new ATOM 0 HB3 TRP A 27 0.873 0.749 -4.426 1.00 1.00 H new ATOM 0 HD1 TRP A 27 3.948 -1.493 -4.269 1.00 1.00 H new ATOM 0 HE1 TRP A 27 3.501 -3.511 -2.717 1.00 1.00 H new ATOM 0 HE3 TRP A 27 -1.058 -0.820 -3.511 1.00 1.00 H new ATOM 0 HZ2 TRP A 27 1.239 -4.656 -1.340 1.00 1.00 H new ATOM 0 HZ3 TRP A 27 -2.332 -2.386 -2.073 1.00 1.00 H new ATOM 0 HH2 TRP A 27 -1.193 -4.303 -0.992 1.00 1.00 H new ATOM 412 N LEU A 28 -1.126 -0.391 -6.277 1.00 1.00 N ATOM 413 CA LEU A 28 -2.420 -1.062 -6.279 1.00 1.00 C ATOM 414 C LEU A 28 -2.559 -1.948 -7.513 1.00 1.00 C ATOM 415 O LEU A 28 -3.299 -2.931 -7.506 1.00 1.00 O ATOM 416 CB LEU A 28 -3.550 -0.029 -6.263 1.00 1.00 C ATOM 417 CG LEU A 28 -3.802 0.444 -4.827 1.00 1.00 C ATOM 418 CD1 LEU A 28 -4.364 1.866 -4.848 1.00 1.00 C ATOM 419 CD2 LEU A 28 -4.816 -0.483 -4.152 1.00 1.00 C ATOM 0 H LEU A 28 -1.175 0.628 -6.268 1.00 1.00 H new ATOM 0 HA LEU A 28 -2.486 -1.683 -5.386 1.00 1.00 H new ATOM 0 HB2 LEU A 28 -3.288 0.820 -6.894 1.00 1.00 H new ATOM 0 HB3 LEU A 28 -4.459 -0.465 -6.677 1.00 1.00 H new ATOM 0 HG LEU A 28 -2.863 0.427 -4.274 1.00 1.00 H new ATOM 0 HD11 LEU A 28 -4.543 2.202 -3.827 1.00 1.00 H new ATOM 0 HD12 LEU A 28 -3.649 2.533 -5.329 1.00 1.00 H new ATOM 0 HD13 LEU A 28 -5.302 1.878 -5.404 1.00 1.00 H new ATOM 0 HD21 LEU A 28 -4.994 -0.145 -3.131 1.00 1.00 H new ATOM 0 HD22 LEU A 28 -5.753 -0.465 -4.709 1.00 1.00 H new ATOM 0 HD23 LEU A 28 -4.424 -1.500 -4.135 1.00 1.00 H new ATOM 431 N ARG A 29 -1.846 -1.591 -8.575 1.00 1.00 N ATOM 432 CA ARG A 29 -1.901 -2.357 -9.815 1.00 1.00 C ATOM 433 C ARG A 29 -1.075 -3.635 -9.702 1.00 1.00 C ATOM 434 O ARG A 29 -1.460 -4.680 -10.226 1.00 1.00 O ATOM 435 CB ARG A 29 -1.372 -1.509 -10.974 1.00 1.00 C ATOM 436 CG ARG A 29 -2.548 -0.918 -11.755 1.00 1.00 C ATOM 437 CD ARG A 29 -2.017 -0.037 -12.889 1.00 1.00 C ATOM 438 NE ARG A 29 -2.663 1.270 -12.857 1.00 1.00 N ATOM 439 CZ ARG A 29 -3.986 1.384 -12.919 1.00 1.00 C ATOM 440 NH1 ARG A 29 -4.730 0.315 -13.005 1.00 1.00 N ATOM 441 NH2 ARG A 29 -4.540 2.565 -12.896 1.00 1.00 N ATOM 0 H ARG A 29 -1.227 -0.781 -8.603 1.00 1.00 H new ATOM 0 HA ARG A 29 -2.940 -2.629 -10.003 1.00 1.00 H new ATOM 0 HB2 ARG A 29 -0.737 -0.709 -10.593 1.00 1.00 H new ATOM 0 HB3 ARG A 29 -0.755 -2.120 -11.633 1.00 1.00 H new ATOM 0 HG2 ARG A 29 -3.167 -1.718 -12.161 1.00 1.00 H new ATOM 0 HG3 ARG A 29 -3.181 -0.331 -11.090 1.00 1.00 H new ATOM 0 HD2 ARG A 29 -0.938 0.080 -12.793 1.00 1.00 H new ATOM 0 HD3 ARG A 29 -2.201 -0.518 -13.850 1.00 1.00 H new ATOM 0 HE ARG A 29 -2.090 2.111 -12.786 1.00 1.00 H new ATOM 0 HH11 ARG A 29 -4.296 -0.608 -13.025 1.00 1.00 H new ATOM 0 HH12 ARG A 29 -5.745 0.403 -13.053 1.00 1.00 H new ATOM 0 HH21 ARG A 29 -3.958 3.400 -12.831 1.00 1.00 H new ATOM 0 HH22 ARG A 29 -5.555 2.653 -12.944 1.00 1.00 H new ATOM 455 N ALA A 30 0.062 -3.545 -9.021 1.00 1.00 N ATOM 456 CA ALA A 30 0.934 -4.703 -8.854 1.00 1.00 C ATOM 457 C ALA A 30 0.503 -5.539 -7.653 1.00 1.00 C ATOM 458 O ALA A 30 1.050 -6.614 -7.405 1.00 1.00 O ATOM 459 CB ALA A 30 2.380 -4.242 -8.662 1.00 1.00 C ATOM 0 H ALA A 30 0.400 -2.690 -8.579 1.00 1.00 H new ATOM 0 HA ALA A 30 0.861 -5.318 -9.751 1.00 1.00 H new ATOM 0 HB1 ALA A 30 3.026 -5.111 -8.538 1.00 1.00 H new ATOM 0 HB2 ALA A 30 2.700 -3.674 -9.536 1.00 1.00 H new ATOM 0 HB3 ALA A 30 2.446 -3.611 -7.775 1.00 1.00 H new ATOM 465 N ALA A 31 -0.479 -5.040 -6.910 1.00 1.00 N ATOM 466 CA ALA A 31 -0.970 -5.752 -5.736 1.00 1.00 C ATOM 467 C ALA A 31 -2.217 -6.562 -6.078 1.00 1.00 C ATOM 468 O ALA A 31 -2.669 -7.386 -5.283 1.00 1.00 O ATOM 469 CB ALA A 31 -1.297 -4.756 -4.624 1.00 1.00 C ATOM 0 H ALA A 31 -0.947 -4.153 -7.097 1.00 1.00 H new ATOM 0 HA ALA A 31 -0.191 -6.435 -5.398 1.00 1.00 H new ATOM 0 HB1 ALA A 31 -1.663 -5.294 -3.750 1.00 1.00 H new ATOM 0 HB2 ALA A 31 -0.398 -4.200 -4.358 1.00 1.00 H new ATOM 0 HB3 ALA A 31 -2.063 -4.062 -4.970 1.00 1.00 H new ATOM 475 N GLY A 32 -2.767 -6.320 -7.262 1.00 1.00 N ATOM 476 CA GLY A 32 -3.962 -7.033 -7.699 1.00 1.00 C ATOM 477 C GLY A 32 -5.192 -6.135 -7.605 1.00 1.00 C ATOM 478 O GLY A 32 -6.320 -6.620 -7.511 1.00 1.00 O ATOM 0 H GLY A 32 -2.408 -5.641 -7.933 1.00 1.00 H new ATOM 0 HA2 GLY A 32 -3.833 -7.374 -8.726 1.00 1.00 H new ATOM 0 HA3 GLY A 32 -4.107 -7.921 -7.084 1.00 1.00 H new ATOM 482 N PHE A 33 -4.962 -4.827 -7.633 1.00 1.00 N ATOM 483 CA PHE A 33 -6.053 -3.861 -7.551 1.00 1.00 C ATOM 484 C PHE A 33 -5.910 -2.808 -8.646 1.00 1.00 C ATOM 485 O PHE A 33 -5.521 -1.671 -8.382 1.00 1.00 O ATOM 486 CB PHE A 33 -6.043 -3.179 -6.181 1.00 1.00 C ATOM 487 CG PHE A 33 -6.176 -4.221 -5.096 1.00 1.00 C ATOM 488 CD1 PHE A 33 -7.417 -4.823 -4.853 1.00 1.00 C ATOM 489 CD2 PHE A 33 -5.060 -4.586 -4.334 1.00 1.00 C ATOM 490 CE1 PHE A 33 -7.541 -5.790 -3.848 1.00 1.00 C ATOM 491 CE2 PHE A 33 -5.184 -5.552 -3.328 1.00 1.00 C ATOM 492 CZ PHE A 33 -6.424 -6.154 -3.086 1.00 1.00 C ATOM 0 H PHE A 33 -4.034 -4.412 -7.712 1.00 1.00 H new ATOM 0 HA PHE A 33 -6.997 -4.389 -7.686 1.00 1.00 H new ATOM 0 HB2 PHE A 33 -5.118 -2.618 -6.049 1.00 1.00 H new ATOM 0 HB3 PHE A 33 -6.862 -2.463 -6.114 1.00 1.00 H new ATOM 0 HD1 PHE A 33 -8.278 -4.541 -5.441 1.00 1.00 H new ATOM 0 HD2 PHE A 33 -4.103 -4.122 -4.522 1.00 1.00 H new ATOM 0 HE1 PHE A 33 -8.498 -6.255 -3.661 1.00 1.00 H new ATOM 0 HE2 PHE A 33 -4.323 -5.832 -2.739 1.00 1.00 H new ATOM 0 HZ PHE A 33 -6.520 -6.900 -2.311 1.00 1.00 H new ATOM 502 N PRO A 34 -6.207 -3.170 -9.866 1.00 1.00 N ATOM 503 CA PRO A 34 -6.103 -2.249 -11.029 1.00 1.00 C ATOM 504 C PRO A 34 -7.316 -1.330 -11.162 1.00 1.00 C ATOM 505 O PRO A 34 -7.184 -0.172 -11.557 1.00 1.00 O ATOM 506 CB PRO A 34 -6.003 -3.199 -12.221 1.00 1.00 C ATOM 507 CG PRO A 34 -6.714 -4.446 -11.804 1.00 1.00 C ATOM 508 CD PRO A 34 -6.677 -4.504 -10.271 1.00 1.00 C ATOM 0 HA PRO A 34 -5.255 -1.570 -10.938 1.00 1.00 H new ATOM 0 HB2 PRO A 34 -6.463 -2.764 -13.108 1.00 1.00 H new ATOM 0 HB3 PRO A 34 -4.962 -3.406 -12.471 1.00 1.00 H new ATOM 0 HG2 PRO A 34 -7.743 -4.440 -12.163 1.00 1.00 H new ATOM 0 HG3 PRO A 34 -6.232 -5.324 -12.233 1.00 1.00 H new ATOM 0 HD2 PRO A 34 -7.662 -4.721 -9.858 1.00 1.00 H new ATOM 0 HD3 PRO A 34 -6.004 -5.286 -9.919 1.00 1.00 H new ATOM 516 N GLN A 35 -8.495 -1.852 -10.835 1.00 1.00 N ATOM 517 CA GLN A 35 -9.718 -1.064 -10.928 1.00 1.00 C ATOM 518 C GLN A 35 -9.660 0.138 -9.992 1.00 1.00 C ATOM 519 O GLN A 35 -10.185 1.207 -10.304 1.00 1.00 O ATOM 520 CB GLN A 35 -10.919 -1.941 -10.568 1.00 1.00 C ATOM 521 CG GLN A 35 -12.131 -1.060 -10.264 1.00 1.00 C ATOM 522 CD GLN A 35 -12.141 -0.672 -8.789 1.00 1.00 C ATOM 523 OE1 GLN A 35 -12.185 0.512 -8.457 1.00 1.00 O ATOM 524 NE2 GLN A 35 -12.103 -1.606 -7.879 1.00 1.00 N ATOM 0 H GLN A 35 -8.628 -2.808 -10.506 1.00 1.00 H new ATOM 0 HA GLN A 35 -9.821 -0.700 -11.950 1.00 1.00 H new ATOM 0 HB2 GLN A 35 -11.147 -2.617 -11.392 1.00 1.00 H new ATOM 0 HB3 GLN A 35 -10.682 -2.561 -9.703 1.00 1.00 H new ATOM 0 HG2 GLN A 35 -12.103 -0.164 -10.884 1.00 1.00 H new ATOM 0 HG3 GLN A 35 -13.049 -1.592 -10.514 1.00 1.00 H new ATOM 0 HE21 GLN A 35 -12.067 -2.587 -8.156 1.00 1.00 H new ATOM 0 HE22 GLN A 35 -12.110 -1.355 -6.890 1.00 1.00 H new ATOM 533 N TYR A 36 -9.025 -0.044 -8.841 1.00 1.00 N ATOM 534 CA TYR A 36 -8.912 1.037 -7.868 1.00 1.00 C ATOM 535 C TYR A 36 -8.165 2.223 -8.472 1.00 1.00 C ATOM 536 O TYR A 36 -8.754 3.274 -8.709 1.00 1.00 O ATOM 537 CB TYR A 36 -8.165 0.540 -6.632 1.00 1.00 C ATOM 538 CG TYR A 36 -9.155 0.099 -5.581 1.00 1.00 C ATOM 539 CD1 TYR A 36 -9.736 1.049 -4.731 1.00 1.00 C ATOM 540 CD2 TYR A 36 -9.485 -1.255 -5.448 1.00 1.00 C ATOM 541 CE1 TYR A 36 -10.645 0.643 -3.747 1.00 1.00 C ATOM 542 CE2 TYR A 36 -10.396 -1.660 -4.464 1.00 1.00 C ATOM 543 CZ TYR A 36 -10.975 -0.711 -3.614 1.00 1.00 C ATOM 544 OH TYR A 36 -11.869 -1.112 -2.643 1.00 1.00 O ATOM 0 H TYR A 36 -8.584 -0.920 -8.559 1.00 1.00 H new ATOM 0 HA TYR A 36 -9.914 1.359 -7.586 1.00 1.00 H new ATOM 0 HB2 TYR A 36 -7.511 -0.290 -6.900 1.00 1.00 H new ATOM 0 HB3 TYR A 36 -7.529 1.332 -6.237 1.00 1.00 H new ATOM 0 HD1 TYR A 36 -9.483 2.094 -4.835 1.00 1.00 H new ATOM 0 HD2 TYR A 36 -9.037 -1.987 -6.104 1.00 1.00 H new ATOM 0 HE1 TYR A 36 -11.092 1.375 -3.090 1.00 1.00 H new ATOM 0 HE2 TYR A 36 -10.651 -2.704 -4.361 1.00 1.00 H new ATOM 0 HH TYR A 36 -11.987 -2.084 -2.688 1.00 1.00 H new ATOM 554 N ALA A 37 -6.872 2.043 -8.721 1.00 1.00 N ATOM 555 CA ALA A 37 -6.047 3.102 -9.302 1.00 1.00 C ATOM 556 C ALA A 37 -6.829 3.895 -10.344 1.00 1.00 C ATOM 557 O ALA A 37 -6.741 5.121 -10.402 1.00 1.00 O ATOM 558 CB ALA A 37 -4.806 2.491 -9.956 1.00 1.00 C ATOM 0 H ALA A 37 -6.371 1.175 -8.531 1.00 1.00 H new ATOM 0 HA ALA A 37 -5.749 3.779 -8.501 1.00 1.00 H new ATOM 0 HB1 ALA A 37 -4.195 3.284 -10.387 1.00 1.00 H new ATOM 0 HB2 ALA A 37 -4.227 1.953 -9.205 1.00 1.00 H new ATOM 0 HB3 ALA A 37 -5.112 1.800 -10.742 1.00 1.00 H new ATOM 564 N GLN A 38 -7.594 3.186 -11.162 1.00 1.00 N ATOM 565 CA GLN A 38 -8.390 3.826 -12.199 1.00 1.00 C ATOM 566 C GLN A 38 -9.148 5.029 -11.640 1.00 1.00 C ATOM 567 O GLN A 38 -9.254 6.064 -12.297 1.00 1.00 O ATOM 568 CB GLN A 38 -9.378 2.813 -12.774 1.00 1.00 C ATOM 569 CG GLN A 38 -9.201 2.721 -14.289 1.00 1.00 C ATOM 570 CD GLN A 38 -9.544 4.062 -14.932 1.00 1.00 C ATOM 571 OE1 GLN A 38 -10.719 4.389 -15.095 1.00 1.00 O ATOM 572 NE2 GLN A 38 -8.582 4.862 -15.304 1.00 1.00 N ATOM 0 H GLN A 38 -7.680 2.170 -11.128 1.00 1.00 H new ATOM 0 HA GLN A 38 -7.722 4.179 -12.985 1.00 1.00 H new ATOM 0 HB2 GLN A 38 -9.217 1.835 -12.320 1.00 1.00 H new ATOM 0 HB3 GLN A 38 -10.399 3.111 -12.535 1.00 1.00 H new ATOM 0 HG2 GLN A 38 -8.174 2.445 -14.528 1.00 1.00 H new ATOM 0 HG3 GLN A 38 -9.844 1.939 -14.693 1.00 1.00 H new ATOM 0 HE21 GLN A 38 -7.609 4.588 -15.167 1.00 1.00 H new ATOM 0 HE22 GLN A 38 -8.803 5.761 -15.731 1.00 1.00 H new ATOM 581 N LEU A 39 -9.675 4.885 -10.427 1.00 1.00 N ATOM 582 CA LEU A 39 -10.422 5.970 -9.799 1.00 1.00 C ATOM 583 C LEU A 39 -9.555 7.219 -9.661 1.00 1.00 C ATOM 584 O LEU A 39 -10.055 8.342 -9.726 1.00 1.00 O ATOM 585 CB LEU A 39 -10.925 5.535 -8.418 1.00 1.00 C ATOM 586 CG LEU A 39 -12.192 4.689 -8.573 1.00 1.00 C ATOM 587 CD1 LEU A 39 -12.286 3.692 -7.417 1.00 1.00 C ATOM 588 CD2 LEU A 39 -13.423 5.599 -8.559 1.00 1.00 C ATOM 0 H LEU A 39 -9.600 4.037 -9.865 1.00 1.00 H new ATOM 0 HA LEU A 39 -11.275 6.207 -10.435 1.00 1.00 H new ATOM 0 HB2 LEU A 39 -10.154 4.962 -7.904 1.00 1.00 H new ATOM 0 HB3 LEU A 39 -11.134 6.411 -7.804 1.00 1.00 H new ATOM 0 HG LEU A 39 -12.150 4.149 -9.519 1.00 1.00 H new ATOM 0 HD11 LEU A 39 -13.188 3.090 -7.528 1.00 1.00 H new ATOM 0 HD12 LEU A 39 -11.412 3.041 -7.426 1.00 1.00 H new ATOM 0 HD13 LEU A 39 -12.325 4.233 -6.472 1.00 1.00 H new ATOM 0 HD21 LEU A 39 -14.323 4.995 -8.669 1.00 1.00 H new ATOM 0 HD22 LEU A 39 -13.464 6.142 -7.614 1.00 1.00 H new ATOM 0 HD23 LEU A 39 -13.360 6.310 -9.383 1.00 1.00 H new ATOM 600 N TYR A 40 -8.252 7.019 -9.474 1.00 1.00 N ATOM 601 CA TYR A 40 -7.331 8.142 -9.334 1.00 1.00 C ATOM 602 C TYR A 40 -7.488 9.109 -10.503 1.00 1.00 C ATOM 603 O TYR A 40 -7.793 10.286 -10.310 1.00 1.00 O ATOM 604 CB TYR A 40 -5.888 7.637 -9.276 1.00 1.00 C ATOM 605 CG TYR A 40 -4.958 8.787 -8.962 1.00 1.00 C ATOM 606 CD1 TYR A 40 -5.019 9.412 -7.711 1.00 1.00 C ATOM 607 CD2 TYR A 40 -4.036 9.225 -9.919 1.00 1.00 C ATOM 608 CE1 TYR A 40 -4.156 10.475 -7.416 1.00 1.00 C ATOM 609 CE2 TYR A 40 -3.174 10.288 -9.626 1.00 1.00 C ATOM 610 CZ TYR A 40 -3.234 10.914 -8.375 1.00 1.00 C ATOM 611 OH TYR A 40 -2.384 11.961 -8.084 1.00 1.00 O ATOM 0 H TYR A 40 -7.815 6.099 -9.417 1.00 1.00 H new ATOM 0 HA TYR A 40 -7.566 8.665 -8.407 1.00 1.00 H new ATOM 0 HB2 TYR A 40 -5.794 6.862 -8.515 1.00 1.00 H new ATOM 0 HB3 TYR A 40 -5.613 7.184 -10.228 1.00 1.00 H new ATOM 0 HD1 TYR A 40 -5.732 9.074 -6.973 1.00 1.00 H new ATOM 0 HD2 TYR A 40 -3.989 8.743 -10.884 1.00 1.00 H new ATOM 0 HE1 TYR A 40 -4.201 10.956 -6.450 1.00 1.00 H new ATOM 0 HE2 TYR A 40 -2.462 10.625 -10.365 1.00 1.00 H new ATOM 0 HH TYR A 40 -1.808 12.139 -8.856 1.00 1.00 H new ATOM 621 N GLU A 41 -7.271 8.605 -11.713 1.00 1.00 N ATOM 622 CA GLU A 41 -7.390 9.434 -12.907 1.00 1.00 C ATOM 623 C GLU A 41 -8.596 10.363 -12.806 1.00 1.00 C ATOM 624 O GLU A 41 -8.515 11.539 -13.155 1.00 1.00 O ATOM 625 CB GLU A 41 -7.529 8.545 -14.144 1.00 1.00 C ATOM 626 CG GLU A 41 -6.164 7.960 -14.508 1.00 1.00 C ATOM 627 CD GLU A 41 -6.333 6.557 -15.081 1.00 1.00 C ATOM 628 OE1 GLU A 41 -6.410 5.625 -14.298 1.00 1.00 O ATOM 629 OE2 GLU A 41 -6.381 6.435 -16.294 1.00 1.00 O ATOM 0 H GLU A 41 -7.014 7.634 -11.893 1.00 1.00 H new ATOM 0 HA GLU A 41 -6.490 10.043 -12.993 1.00 1.00 H new ATOM 0 HB2 GLU A 41 -8.240 7.742 -13.950 1.00 1.00 H new ATOM 0 HB3 GLU A 41 -7.922 9.125 -14.979 1.00 1.00 H new ATOM 0 HG2 GLU A 41 -5.667 8.601 -15.236 1.00 1.00 H new ATOM 0 HG3 GLU A 41 -5.526 7.926 -13.625 1.00 1.00 H new ATOM 636 N ASP A 42 -9.716 9.826 -12.329 1.00 1.00 N ATOM 637 CA ASP A 42 -10.933 10.620 -12.191 1.00 1.00 C ATOM 638 C ASP A 42 -10.873 11.487 -10.938 1.00 1.00 C ATOM 639 O ASP A 42 -11.558 12.505 -10.843 1.00 1.00 O ATOM 640 CB ASP A 42 -12.151 9.698 -12.118 1.00 1.00 C ATOM 641 CG ASP A 42 -13.417 10.480 -12.454 1.00 1.00 C ATOM 642 OD1 ASP A 42 -13.322 11.688 -12.603 1.00 1.00 O ATOM 643 OD2 ASP A 42 -14.462 9.860 -12.560 1.00 1.00 O ATOM 0 H ASP A 42 -9.806 8.854 -12.034 1.00 1.00 H new ATOM 0 HA ASP A 42 -11.019 11.270 -13.062 1.00 1.00 H new ATOM 0 HB2 ASP A 42 -12.031 8.867 -12.814 1.00 1.00 H new ATOM 0 HB3 ASP A 42 -12.233 9.268 -11.120 1.00 1.00 H new ATOM 648 N SER A 43 -10.051 11.076 -9.977 1.00 1.00 N ATOM 649 CA SER A 43 -9.908 11.822 -8.732 1.00 1.00 C ATOM 650 C SER A 43 -11.066 11.518 -7.788 1.00 1.00 C ATOM 651 O SER A 43 -11.448 12.356 -6.971 1.00 1.00 O ATOM 652 CB SER A 43 -9.863 13.322 -9.022 1.00 1.00 C ATOM 653 OG SER A 43 -11.178 13.857 -8.935 1.00 1.00 O ATOM 0 H SER A 43 -9.477 10.235 -10.036 1.00 1.00 H new ATOM 0 HA SER A 43 -8.976 11.518 -8.255 1.00 1.00 H new ATOM 0 HB2 SER A 43 -9.207 13.822 -8.310 1.00 1.00 H new ATOM 0 HB3 SER A 43 -9.451 13.500 -10.015 1.00 1.00 H new ATOM 0 HG SER A 43 -11.666 13.661 -9.762 1.00 1.00 H new ATOM 659 N GLN A 44 -11.617 10.313 -7.905 1.00 1.00 N ATOM 660 CA GLN A 44 -12.731 9.901 -7.055 1.00 1.00 C ATOM 661 C GLN A 44 -12.268 8.858 -6.045 1.00 1.00 C ATOM 662 O GLN A 44 -13.050 8.019 -5.600 1.00 1.00 O ATOM 663 CB GLN A 44 -13.854 9.319 -7.914 1.00 1.00 C ATOM 664 CG GLN A 44 -14.323 10.368 -8.924 1.00 1.00 C ATOM 665 CD GLN A 44 -15.747 10.803 -8.600 1.00 1.00 C ATOM 666 OE1 GLN A 44 -15.991 11.982 -8.337 1.00 1.00 O ATOM 667 NE2 GLN A 44 -16.708 9.920 -8.603 1.00 1.00 N ATOM 0 H GLN A 44 -11.313 9.608 -8.576 1.00 1.00 H new ATOM 0 HA GLN A 44 -13.101 10.774 -6.518 1.00 1.00 H new ATOM 0 HB2 GLN A 44 -13.503 8.429 -8.436 1.00 1.00 H new ATOM 0 HB3 GLN A 44 -14.687 9.010 -7.282 1.00 1.00 H new ATOM 0 HG2 GLN A 44 -13.657 11.230 -8.901 1.00 1.00 H new ATOM 0 HG3 GLN A 44 -14.280 9.958 -9.933 1.00 1.00 H new ATOM 0 HE21 GLN A 44 -16.504 8.945 -8.821 1.00 1.00 H new ATOM 0 HE22 GLN A 44 -17.663 10.205 -8.387 1.00 1.00 H new ATOM 676 N PHE A 45 -10.988 8.917 -5.690 1.00 1.00 N ATOM 677 CA PHE A 45 -10.426 7.972 -4.735 1.00 1.00 C ATOM 678 C PHE A 45 -11.076 8.122 -3.372 1.00 1.00 C ATOM 679 O PHE A 45 -11.385 7.127 -2.717 1.00 1.00 O ATOM 680 CB PHE A 45 -8.917 8.184 -4.609 1.00 1.00 C ATOM 681 CG PHE A 45 -8.194 6.945 -5.079 1.00 1.00 C ATOM 682 CD1 PHE A 45 -8.244 6.579 -6.429 1.00 1.00 C ATOM 683 CD2 PHE A 45 -7.468 6.166 -4.169 1.00 1.00 C ATOM 684 CE1 PHE A 45 -7.567 5.435 -6.870 1.00 1.00 C ATOM 685 CE2 PHE A 45 -6.792 5.022 -4.610 1.00 1.00 C ATOM 686 CZ PHE A 45 -6.842 4.656 -5.960 1.00 1.00 C ATOM 0 H PHE A 45 -10.325 9.605 -6.047 1.00 1.00 H new ATOM 0 HA PHE A 45 -10.622 6.965 -5.104 1.00 1.00 H new ATOM 0 HB2 PHE A 45 -8.609 9.045 -5.202 1.00 1.00 H new ATOM 0 HB3 PHE A 45 -8.655 8.400 -3.573 1.00 1.00 H new ATOM 0 HD1 PHE A 45 -8.805 7.179 -7.131 1.00 1.00 H new ATOM 0 HD2 PHE A 45 -7.430 6.448 -3.127 1.00 1.00 H new ATOM 0 HE1 PHE A 45 -7.604 5.154 -7.912 1.00 1.00 H new ATOM 0 HE2 PHE A 45 -6.232 4.422 -3.908 1.00 1.00 H new ATOM 0 HZ PHE A 45 -6.321 3.773 -6.300 1.00 1.00 H new ATOM 696 N PRO A 46 -11.290 9.327 -2.923 1.00 1.00 N ATOM 697 CA PRO A 46 -11.921 9.549 -1.602 1.00 1.00 C ATOM 698 C PRO A 46 -13.339 8.991 -1.577 1.00 1.00 C ATOM 699 O PRO A 46 -14.223 9.475 -2.280 1.00 1.00 O ATOM 700 CB PRO A 46 -11.926 11.075 -1.434 1.00 1.00 C ATOM 701 CG PRO A 46 -11.007 11.614 -2.485 1.00 1.00 C ATOM 702 CD PRO A 46 -10.962 10.581 -3.605 1.00 1.00 C ATOM 0 HA PRO A 46 -11.387 9.046 -0.796 1.00 1.00 H new ATOM 0 HB2 PRO A 46 -12.932 11.476 -1.554 1.00 1.00 H new ATOM 0 HB3 PRO A 46 -11.586 11.358 -0.438 1.00 1.00 H new ATOM 0 HG2 PRO A 46 -11.367 12.573 -2.858 1.00 1.00 H new ATOM 0 HG3 PRO A 46 -10.011 11.785 -2.077 1.00 1.00 H new ATOM 0 HD2 PRO A 46 -11.680 10.810 -4.392 1.00 1.00 H new ATOM 0 HD3 PRO A 46 -9.979 10.539 -4.073 1.00 1.00 H new ATOM 710 N ILE A 47 -13.534 7.972 -0.752 1.00 1.00 N ATOM 711 CA ILE A 47 -14.834 7.320 -0.608 1.00 1.00 C ATOM 712 C ILE A 47 -14.791 6.352 0.570 1.00 1.00 C ATOM 713 O ILE A 47 -13.762 6.209 1.227 1.00 1.00 O ATOM 714 CB ILE A 47 -15.196 6.528 -1.883 1.00 1.00 C ATOM 715 CG1 ILE A 47 -13.940 5.840 -2.426 1.00 1.00 C ATOM 716 CG2 ILE A 47 -15.773 7.444 -2.976 1.00 1.00 C ATOM 717 CD1 ILE A 47 -14.291 4.428 -2.894 1.00 1.00 C ATOM 0 H ILE A 47 -12.801 7.573 -0.165 1.00 1.00 H new ATOM 0 HA ILE A 47 -15.586 8.092 -0.441 1.00 1.00 H new ATOM 0 HB ILE A 47 -15.954 5.792 -1.616 1.00 1.00 H new ATOM 0 HG12 ILE A 47 -13.526 6.416 -3.254 1.00 1.00 H new ATOM 0 HG13 ILE A 47 -13.173 5.798 -1.653 1.00 1.00 H new ATOM 0 HG21 ILE A 47 -16.016 6.850 -3.857 1.00 1.00 H new ATOM 0 HG22 ILE A 47 -16.676 7.929 -2.605 1.00 1.00 H new ATOM 0 HG23 ILE A 47 -15.037 8.203 -3.241 1.00 1.00 H new ATOM 0 HD11 ILE A 47 -13.396 3.940 -3.280 1.00 1.00 H new ATOM 0 HD12 ILE A 47 -14.684 3.854 -2.055 1.00 1.00 H new ATOM 0 HD13 ILE A 47 -15.043 4.482 -3.681 1.00 1.00 H new ATOM 729 N ASN A 48 -15.909 5.683 0.829 1.00 1.00 N ATOM 730 CA ASN A 48 -15.971 4.725 1.928 1.00 1.00 C ATOM 731 C ASN A 48 -14.884 3.666 1.762 1.00 1.00 C ATOM 732 O ASN A 48 -15.133 2.584 1.229 1.00 1.00 O ATOM 733 CB ASN A 48 -17.343 4.051 1.951 1.00 1.00 C ATOM 734 CG ASN A 48 -17.581 3.383 3.300 1.00 1.00 C ATOM 735 OD1 ASN A 48 -16.640 3.173 4.066 1.00 1.00 O ATOM 736 ND2 ASN A 48 -18.790 3.029 3.637 1.00 1.00 N ATOM 0 H ASN A 48 -16.775 5.784 0.300 1.00 1.00 H new ATOM 0 HA ASN A 48 -15.812 5.255 2.867 1.00 1.00 H new ATOM 0 HB2 ASN A 48 -18.122 4.789 1.761 1.00 1.00 H new ATOM 0 HB3 ASN A 48 -17.405 3.310 1.154 1.00 1.00 H new ATOM 0 HD21 ASN A 48 -18.957 2.577 4.536 1.00 1.00 H new ATOM 0 HD22 ASN A 48 -19.568 3.204 3.001 1.00 1.00 H new ATOM 743 N ILE A 49 -13.675 3.988 2.213 1.00 1.00 N ATOM 744 CA ILE A 49 -12.554 3.060 2.100 1.00 1.00 C ATOM 745 C ILE A 49 -12.824 1.772 2.878 1.00 1.00 C ATOM 746 O ILE A 49 -12.511 0.679 2.412 1.00 1.00 O ATOM 747 CB ILE A 49 -11.277 3.715 2.632 1.00 1.00 C ATOM 748 CG1 ILE A 49 -10.763 4.739 1.618 1.00 1.00 C ATOM 749 CG2 ILE A 49 -10.208 2.640 2.850 1.00 1.00 C ATOM 750 CD1 ILE A 49 -9.681 5.604 2.268 1.00 1.00 C ATOM 0 H ILE A 49 -13.447 4.878 2.657 1.00 1.00 H new ATOM 0 HA ILE A 49 -12.430 2.810 1.046 1.00 1.00 H new ATOM 0 HB ILE A 49 -11.494 4.216 3.576 1.00 1.00 H new ATOM 0 HG12 ILE A 49 -10.359 4.229 0.744 1.00 1.00 H new ATOM 0 HG13 ILE A 49 -11.584 5.366 1.270 1.00 1.00 H new ATOM 0 HG21 ILE A 49 -9.297 3.104 3.229 1.00 1.00 H new ATOM 0 HG22 ILE A 49 -10.570 1.908 3.572 1.00 1.00 H new ATOM 0 HG23 ILE A 49 -9.995 2.142 1.904 1.00 1.00 H new ATOM 0 HD11 ILE A 49 -9.315 6.333 1.545 1.00 1.00 H new ATOM 0 HD12 ILE A 49 -10.100 6.125 3.129 1.00 1.00 H new ATOM 0 HD13 ILE A 49 -8.856 4.971 2.594 1.00 1.00 H new ATOM 762 N VAL A 50 -13.387 1.917 4.071 1.00 1.00 N ATOM 763 CA VAL A 50 -13.678 0.765 4.922 1.00 1.00 C ATOM 764 C VAL A 50 -14.528 -0.280 4.197 1.00 1.00 C ATOM 765 O VAL A 50 -14.274 -1.481 4.310 1.00 1.00 O ATOM 766 CB VAL A 50 -14.412 1.226 6.182 1.00 1.00 C ATOM 767 CG1 VAL A 50 -14.328 0.134 7.249 1.00 1.00 C ATOM 768 CG2 VAL A 50 -13.761 2.506 6.710 1.00 1.00 C ATOM 0 H VAL A 50 -13.651 2.817 4.472 1.00 1.00 H new ATOM 0 HA VAL A 50 -12.727 0.303 5.186 1.00 1.00 H new ATOM 0 HB VAL A 50 -15.458 1.421 5.944 1.00 1.00 H new ATOM 0 HG11 VAL A 50 -14.851 0.462 8.147 1.00 1.00 H new ATOM 0 HG12 VAL A 50 -14.790 -0.779 6.873 1.00 1.00 H new ATOM 0 HG13 VAL A 50 -13.283 -0.061 7.489 1.00 1.00 H new ATOM 0 HG21 VAL A 50 -14.283 2.836 7.608 1.00 1.00 H new ATOM 0 HG22 VAL A 50 -12.716 2.311 6.949 1.00 1.00 H new ATOM 0 HG23 VAL A 50 -13.820 3.285 5.949 1.00 1.00 H new ATOM 778 N ALA A 51 -15.553 0.172 3.485 1.00 1.00 N ATOM 779 CA ALA A 51 -16.449 -0.744 2.783 1.00 1.00 C ATOM 780 C ALA A 51 -15.814 -1.325 1.518 1.00 1.00 C ATOM 781 O ALA A 51 -15.609 -2.535 1.416 1.00 1.00 O ATOM 782 CB ALA A 51 -17.741 -0.016 2.409 1.00 1.00 C ATOM 0 H ALA A 51 -15.785 1.159 3.378 1.00 1.00 H new ATOM 0 HA ALA A 51 -16.659 -1.572 3.460 1.00 1.00 H new ATOM 0 HB1 ALA A 51 -18.407 -0.702 1.886 1.00 1.00 H new ATOM 0 HB2 ALA A 51 -18.230 0.345 3.314 1.00 1.00 H new ATOM 0 HB3 ALA A 51 -17.508 0.829 1.761 1.00 1.00 H new ATOM 788 N VAL A 52 -15.533 -0.465 0.546 1.00 1.00 N ATOM 789 CA VAL A 52 -14.955 -0.915 -0.719 1.00 1.00 C ATOM 790 C VAL A 52 -13.861 -1.957 -0.496 1.00 1.00 C ATOM 791 O VAL A 52 -13.889 -3.028 -1.103 1.00 1.00 O ATOM 792 CB VAL A 52 -14.391 0.278 -1.497 1.00 1.00 C ATOM 793 CG1 VAL A 52 -15.512 1.277 -1.800 1.00 1.00 C ATOM 794 CG2 VAL A 52 -13.313 0.966 -0.660 1.00 1.00 C ATOM 0 H VAL A 52 -15.694 0.540 0.606 1.00 1.00 H new ATOM 0 HA VAL A 52 -15.750 -1.382 -1.300 1.00 1.00 H new ATOM 0 HB VAL A 52 -13.960 -0.075 -2.434 1.00 1.00 H new ATOM 0 HG11 VAL A 52 -15.105 2.123 -2.353 1.00 1.00 H new ATOM 0 HG12 VAL A 52 -16.282 0.789 -2.397 1.00 1.00 H new ATOM 0 HG13 VAL A 52 -15.947 1.630 -0.865 1.00 1.00 H new ATOM 0 HG21 VAL A 52 -12.910 1.815 -1.212 1.00 1.00 H new ATOM 0 HG22 VAL A 52 -13.747 1.315 0.277 1.00 1.00 H new ATOM 0 HG23 VAL A 52 -12.511 0.259 -0.447 1.00 1.00 H new ATOM 804 N LYS A 53 -12.897 -1.648 0.363 1.00 1.00 N ATOM 805 CA LYS A 53 -11.809 -2.584 0.627 1.00 1.00 C ATOM 806 C LYS A 53 -12.343 -3.876 1.231 1.00 1.00 C ATOM 807 O LYS A 53 -11.990 -4.971 0.795 1.00 1.00 O ATOM 808 CB LYS A 53 -10.780 -1.952 1.564 1.00 1.00 C ATOM 809 CG LYS A 53 -11.298 -1.945 3.003 1.00 1.00 C ATOM 810 CD LYS A 53 -10.411 -1.032 3.850 1.00 1.00 C ATOM 811 CE LYS A 53 -10.286 -1.605 5.263 1.00 1.00 C ATOM 812 NZ LYS A 53 -9.529 -0.648 6.119 1.00 1.00 N ATOM 0 H LYS A 53 -12.845 -0.771 0.882 1.00 1.00 H new ATOM 0 HA LYS A 53 -11.325 -2.820 -0.321 1.00 1.00 H new ATOM 0 HB2 LYS A 53 -9.843 -2.506 1.511 1.00 1.00 H new ATOM 0 HB3 LYS A 53 -10.566 -0.932 1.244 1.00 1.00 H new ATOM 0 HG2 LYS A 53 -12.330 -1.596 3.029 1.00 1.00 H new ATOM 0 HG3 LYS A 53 -11.293 -2.956 3.409 1.00 1.00 H new ATOM 0 HD2 LYS A 53 -9.425 -0.942 3.395 1.00 1.00 H new ATOM 0 HD3 LYS A 53 -10.837 -0.029 3.890 1.00 1.00 H new ATOM 0 HE2 LYS A 53 -11.275 -1.783 5.684 1.00 1.00 H new ATOM 0 HE3 LYS A 53 -9.774 -2.567 5.233 1.00 1.00 H new ATOM 0 HZ1 LYS A 53 -9.862 -0.722 7.101 1.00 1.00 H new ATOM 0 HZ2 LYS A 53 -8.515 -0.874 6.079 1.00 1.00 H new ATOM 0 HZ3 LYS A 53 -9.681 0.321 5.774 1.00 1.00 H new ATOM 969 N LEU A 63 -3.358 -8.482 1.827 1.00 1.00 N ATOM 970 CA LEU A 63 -3.299 -7.512 0.740 1.00 1.00 C ATOM 971 C LEU A 63 -4.351 -6.426 0.936 1.00 1.00 C ATOM 972 O LEU A 63 -4.285 -5.365 0.314 1.00 1.00 O ATOM 973 CB LEU A 63 -3.531 -8.219 -0.600 1.00 1.00 C ATOM 974 CG LEU A 63 -2.195 -8.438 -1.319 1.00 1.00 C ATOM 975 CD1 LEU A 63 -1.606 -7.096 -1.761 1.00 1.00 C ATOM 976 CD2 LEU A 63 -1.213 -9.136 -0.373 1.00 1.00 C ATOM 0 HA LEU A 63 -2.312 -7.049 0.740 1.00 1.00 H new ATOM 0 HB2 LEU A 63 -4.025 -9.177 -0.434 1.00 1.00 H new ATOM 0 HB3 LEU A 63 -4.195 -7.622 -1.225 1.00 1.00 H new ATOM 0 HG LEU A 63 -2.365 -9.059 -2.198 1.00 1.00 H new ATOM 0 HD11 LEU A 63 -0.657 -7.265 -2.270 1.00 1.00 H new ATOM 0 HD12 LEU A 63 -2.299 -6.600 -2.440 1.00 1.00 H new ATOM 0 HD13 LEU A 63 -1.441 -6.465 -0.887 1.00 1.00 H new ATOM 0 HD21 LEU A 63 -0.263 -9.292 -0.885 1.00 1.00 H new ATOM 0 HD22 LEU A 63 -1.053 -8.515 0.508 1.00 1.00 H new ATOM 0 HD23 LEU A 63 -1.623 -10.099 -0.069 1.00 1.00 H new ATOM 988 N VAL A 64 -5.319 -6.696 1.807 1.00 1.00 N ATOM 989 CA VAL A 64 -6.379 -5.732 2.079 1.00 1.00 C ATOM 990 C VAL A 64 -5.864 -4.631 3.001 1.00 1.00 C ATOM 991 O VAL A 64 -6.173 -3.456 2.813 1.00 1.00 O ATOM 992 CB VAL A 64 -7.574 -6.433 2.725 1.00 1.00 C ATOM 993 CG1 VAL A 64 -8.556 -5.386 3.254 1.00 1.00 C ATOM 994 CG2 VAL A 64 -8.276 -7.304 1.682 1.00 1.00 C ATOM 0 H VAL A 64 -5.391 -7.567 2.333 1.00 1.00 H new ATOM 0 HA VAL A 64 -6.696 -5.286 1.136 1.00 1.00 H new ATOM 0 HB VAL A 64 -7.227 -7.056 3.549 1.00 1.00 H new ATOM 0 HG11 VAL A 64 -9.408 -5.886 3.715 1.00 1.00 H new ATOM 0 HG12 VAL A 64 -8.058 -4.761 3.995 1.00 1.00 H new ATOM 0 HG13 VAL A 64 -8.903 -4.763 2.429 1.00 1.00 H new ATOM 0 HG21 VAL A 64 -9.129 -7.805 2.141 1.00 1.00 H new ATOM 0 HG22 VAL A 64 -8.622 -6.679 0.859 1.00 1.00 H new ATOM 0 HG23 VAL A 64 -7.578 -8.050 1.302 1.00 1.00 H new ATOM 1004 N GLU A 65 -5.067 -5.020 3.990 1.00 1.00 N ATOM 1005 CA GLU A 65 -4.504 -4.052 4.924 1.00 1.00 C ATOM 1006 C GLU A 65 -3.788 -2.933 4.166 1.00 1.00 C ATOM 1007 O GLU A 65 -4.201 -1.775 4.233 1.00 1.00 O ATOM 1008 CB GLU A 65 -3.528 -4.740 5.881 1.00 1.00 C ATOM 1009 CG GLU A 65 -4.213 -4.962 7.232 1.00 1.00 C ATOM 1010 CD GLU A 65 -4.332 -3.637 7.978 1.00 1.00 C ATOM 1011 OE1 GLU A 65 -3.899 -2.634 7.435 1.00 1.00 O ATOM 1012 OE2 GLU A 65 -4.852 -3.645 9.081 1.00 1.00 O ATOM 0 H GLU A 65 -4.798 -5.988 4.165 1.00 1.00 H new ATOM 0 HA GLU A 65 -5.320 -3.619 5.503 1.00 1.00 H new ATOM 0 HB2 GLU A 65 -3.204 -5.693 5.464 1.00 1.00 H new ATOM 0 HB3 GLU A 65 -2.635 -4.128 6.010 1.00 1.00 H new ATOM 0 HG2 GLU A 65 -5.202 -5.394 7.081 1.00 1.00 H new ATOM 0 HG3 GLU A 65 -3.641 -5.674 7.827 1.00 1.00 H new ATOM 1019 N PRO A 66 -2.734 -3.245 3.447 1.00 1.00 N ATOM 1020 CA PRO A 66 -1.973 -2.226 2.669 1.00 1.00 C ATOM 1021 C PRO A 66 -2.881 -1.419 1.743 1.00 1.00 C ATOM 1022 O PRO A 66 -2.619 -0.250 1.464 1.00 1.00 O ATOM 1023 CB PRO A 66 -0.949 -3.036 1.860 1.00 1.00 C ATOM 1024 CG PRO A 66 -1.337 -4.471 2.007 1.00 1.00 C ATOM 1025 CD PRO A 66 -2.148 -4.586 3.293 1.00 1.00 C ATOM 0 HA PRO A 66 -1.503 -1.493 3.325 1.00 1.00 H new ATOM 0 HB2 PRO A 66 -0.957 -2.737 0.812 1.00 1.00 H new ATOM 0 HB3 PRO A 66 0.062 -2.867 2.232 1.00 1.00 H new ATOM 0 HG2 PRO A 66 -1.924 -4.801 1.150 1.00 1.00 H new ATOM 0 HG3 PRO A 66 -0.453 -5.107 2.051 1.00 1.00 H new ATOM 0 HD2 PRO A 66 -2.917 -5.354 3.216 1.00 1.00 H new ATOM 0 HD3 PRO A 66 -1.519 -4.850 4.143 1.00 1.00 H new ATOM 1033 N LEU A 67 -3.953 -2.052 1.271 1.00 1.00 N ATOM 1034 CA LEU A 67 -4.892 -1.378 0.383 1.00 1.00 C ATOM 1035 C LEU A 67 -5.410 -0.102 1.036 1.00 1.00 C ATOM 1036 O LEU A 67 -5.439 0.960 0.416 1.00 1.00 O ATOM 1037 CB LEU A 67 -6.071 -2.304 0.063 1.00 1.00 C ATOM 1038 CG LEU A 67 -6.766 -1.841 -1.218 1.00 1.00 C ATOM 1039 CD1 LEU A 67 -6.289 -2.694 -2.393 1.00 1.00 C ATOM 1040 CD2 LEU A 67 -8.279 -2.003 -1.057 1.00 1.00 C ATOM 0 H LEU A 67 -4.190 -3.020 1.487 1.00 1.00 H new ATOM 0 HA LEU A 67 -4.374 -1.122 -0.541 1.00 1.00 H new ATOM 0 HB2 LEU A 67 -5.718 -3.329 -0.055 1.00 1.00 H new ATOM 0 HB3 LEU A 67 -6.779 -2.304 0.891 1.00 1.00 H new ATOM 0 HG LEU A 67 -6.526 -0.795 -1.406 1.00 1.00 H new ATOM 0 HD11 LEU A 67 -6.784 -2.364 -3.306 1.00 1.00 H new ATOM 0 HD12 LEU A 67 -5.210 -2.587 -2.506 1.00 1.00 H new ATOM 0 HD13 LEU A 67 -6.532 -3.740 -2.206 1.00 1.00 H new ATOM 0 HD21 LEU A 67 -8.779 -1.674 -1.968 1.00 1.00 H new ATOM 0 HD22 LEU A 67 -8.515 -3.051 -0.872 1.00 1.00 H new ATOM 0 HD23 LEU A 67 -8.622 -1.400 -0.217 1.00 1.00 H new ATOM 1052 N CYS A 68 -5.808 -0.218 2.300 1.00 1.00 N ATOM 1053 CA CYS A 68 -6.320 0.930 3.040 1.00 1.00 C ATOM 1054 C CYS A 68 -5.213 1.950 3.279 1.00 1.00 C ATOM 1055 O CYS A 68 -5.482 3.120 3.549 1.00 1.00 O ATOM 1056 CB CYS A 68 -6.894 0.474 4.383 1.00 1.00 C ATOM 1057 SG CYS A 68 -6.191 1.480 5.712 1.00 1.00 S ATOM 0 H CYS A 68 -5.786 -1.089 2.830 1.00 1.00 H new ATOM 0 HA CYS A 68 -7.108 1.397 2.448 1.00 1.00 H new ATOM 0 HB2 CYS A 68 -7.980 0.568 4.377 1.00 1.00 H new ATOM 0 HB3 CYS A 68 -6.666 -0.579 4.550 1.00 1.00 H new ATOM 0 HG CYS A 68 -5.927 2.671 5.262 1.00 1.00 H new ATOM 1063 N ARG A 69 -3.965 1.501 3.175 1.00 1.00 N ATOM 1064 CA ARG A 69 -2.829 2.388 3.378 1.00 1.00 C ATOM 1065 C ARG A 69 -2.644 3.293 2.165 1.00 1.00 C ATOM 1066 O ARG A 69 -2.491 4.506 2.300 1.00 1.00 O ATOM 1067 CB ARG A 69 -1.557 1.570 3.609 1.00 1.00 C ATOM 1068 CG ARG A 69 -0.546 2.409 4.394 1.00 1.00 C ATOM 1069 CD ARG A 69 0.874 2.009 3.989 1.00 1.00 C ATOM 1070 NE ARG A 69 1.127 2.378 2.602 1.00 1.00 N ATOM 1071 CZ ARG A 69 1.366 3.640 2.258 1.00 1.00 C ATOM 1072 NH1 ARG A 69 1.378 4.573 3.171 1.00 1.00 N ATOM 1073 NH2 ARG A 69 1.589 3.946 1.010 1.00 1.00 N ATOM 0 H ARG A 69 -3.718 0.536 2.953 1.00 1.00 H new ATOM 0 HA ARG A 69 -3.022 3.004 4.256 1.00 1.00 H new ATOM 0 HB2 ARG A 69 -1.793 0.658 4.158 1.00 1.00 H new ATOM 0 HB3 ARG A 69 -1.129 1.266 2.654 1.00 1.00 H new ATOM 0 HG2 ARG A 69 -0.707 3.469 4.197 1.00 1.00 H new ATOM 0 HG3 ARG A 69 -0.686 2.259 5.464 1.00 1.00 H new ATOM 0 HD2 ARG A 69 1.597 2.499 4.641 1.00 1.00 H new ATOM 0 HD3 ARG A 69 1.007 0.935 4.117 1.00 1.00 H new ATOM 0 HE ARG A 69 1.121 1.655 1.882 1.00 1.00 H new ATOM 0 HH11 ARG A 69 1.204 4.334 4.147 1.00 1.00 H new ATOM 0 HH12 ARG A 69 1.561 5.541 2.908 1.00 1.00 H new ATOM 0 HH21 ARG A 69 1.580 3.217 0.297 1.00 1.00 H new ATOM 0 HH22 ARG A 69 1.772 4.914 0.747 1.00 1.00 H new ATOM 1087 N ARG A 70 -2.665 2.692 0.979 1.00 1.00 N ATOM 1088 CA ARG A 70 -2.505 3.457 -0.251 1.00 1.00 C ATOM 1089 C ARG A 70 -3.738 4.317 -0.500 1.00 1.00 C ATOM 1090 O ARG A 70 -3.623 5.504 -0.807 1.00 1.00 O ATOM 1091 CB ARG A 70 -2.294 2.511 -1.440 1.00 1.00 C ATOM 1092 CG ARG A 70 -1.211 1.470 -1.120 1.00 1.00 C ATOM 1093 CD ARG A 70 -0.015 2.130 -0.428 1.00 1.00 C ATOM 1094 NE ARG A 70 1.130 1.227 -0.439 1.00 1.00 N ATOM 1095 CZ ARG A 70 1.150 0.135 0.318 1.00 1.00 C ATOM 1096 NH1 ARG A 70 0.138 -0.140 1.095 1.00 1.00 N ATOM 1097 NH2 ARG A 70 2.183 -0.663 0.287 1.00 1.00 N ATOM 0 H ARG A 70 -2.790 1.689 0.845 1.00 1.00 H new ATOM 0 HA ARG A 70 -1.632 4.102 -0.145 1.00 1.00 H new ATOM 0 HB2 ARG A 70 -3.230 2.007 -1.681 1.00 1.00 H new ATOM 0 HB3 ARG A 70 -2.005 3.085 -2.321 1.00 1.00 H new ATOM 0 HG2 ARG A 70 -1.625 0.692 -0.478 1.00 1.00 H new ATOM 0 HG3 ARG A 70 -0.883 0.984 -2.039 1.00 1.00 H new ATOM 0 HD2 ARG A 70 0.241 3.060 -0.935 1.00 1.00 H new ATOM 0 HD3 ARG A 70 -0.275 2.388 0.599 1.00 1.00 H new ATOM 0 HE ARG A 70 1.929 1.437 -1.038 1.00 1.00 H new ATOM 0 HH11 ARG A 70 -0.669 0.483 1.121 1.00 1.00 H new ATOM 0 HH12 ARG A 70 0.154 -0.978 1.676 1.00 1.00 H new ATOM 0 HH21 ARG A 70 2.975 -0.448 -0.319 1.00 1.00 H new ATOM 0 HH22 ARG A 70 2.198 -1.501 0.868 1.00 1.00 H new ATOM 1111 N LEU A 71 -4.916 3.716 -0.365 1.00 1.00 N ATOM 1112 CA LEU A 71 -6.155 4.452 -0.580 1.00 1.00 C ATOM 1113 C LEU A 71 -6.201 5.686 0.317 1.00 1.00 C ATOM 1114 O LEU A 71 -6.451 6.794 -0.152 1.00 1.00 O ATOM 1115 CB LEU A 71 -7.363 3.555 -0.289 1.00 1.00 C ATOM 1116 CG LEU A 71 -7.463 2.455 -1.353 1.00 1.00 C ATOM 1117 CD1 LEU A 71 -8.276 1.283 -0.801 1.00 1.00 C ATOM 1118 CD2 LEU A 71 -8.165 2.990 -2.607 1.00 1.00 C ATOM 0 H LEU A 71 -5.038 2.736 -0.111 1.00 1.00 H new ATOM 0 HA LEU A 71 -6.191 4.770 -1.622 1.00 1.00 H new ATOM 0 HB2 LEU A 71 -7.266 3.108 0.701 1.00 1.00 H new ATOM 0 HB3 LEU A 71 -8.276 4.150 -0.282 1.00 1.00 H new ATOM 0 HG LEU A 71 -6.456 2.128 -1.611 1.00 1.00 H new ATOM 0 HD11 LEU A 71 -8.347 0.501 -1.557 1.00 1.00 H new ATOM 0 HD12 LEU A 71 -7.784 0.885 0.087 1.00 1.00 H new ATOM 0 HD13 LEU A 71 -9.277 1.626 -0.539 1.00 1.00 H new ATOM 0 HD21 LEU A 71 -8.229 2.199 -3.354 1.00 1.00 H new ATOM 0 HD22 LEU A 71 -9.169 3.325 -2.347 1.00 1.00 H new ATOM 0 HD23 LEU A 71 -7.597 3.827 -3.013 1.00 1.00 H new ATOM 1130 N ASN A 72 -5.950 5.487 1.606 1.00 1.00 N ATOM 1131 CA ASN A 72 -5.961 6.596 2.552 1.00 1.00 C ATOM 1132 C ASN A 72 -5.006 7.694 2.093 1.00 1.00 C ATOM 1133 O ASN A 72 -5.286 8.882 2.256 1.00 1.00 O ATOM 1134 CB ASN A 72 -5.550 6.103 3.941 1.00 1.00 C ATOM 1135 CG ASN A 72 -5.610 7.254 4.940 1.00 1.00 C ATOM 1136 OD1 ASN A 72 -5.994 8.435 4.540 1.00 1.00 O flip ATOM 1137 ND2 ASN A 72 -5.296 7.072 6.117 1.00 1.00 N flip ATOM 0 H ASN A 72 -5.738 4.578 2.017 1.00 1.00 H new ATOM 0 HA ASN A 72 -6.971 7.003 2.599 1.00 1.00 H new ATOM 0 HB2 ASN A 72 -6.211 5.298 4.261 1.00 1.00 H new ATOM 0 HB3 ASN A 72 -4.541 5.692 3.907 1.00 1.00 H new ATOM 0 HD21 ASN A 72 -4.996 6.148 6.428 1.00 1.00 H new ATOM 0 HD22 ASN A 72 -5.336 7.845 6.781 1.00 1.00 H new ATOM 1144 N THR A 73 -3.880 7.288 1.515 1.00 1.00 N ATOM 1145 CA THR A 73 -2.892 8.246 1.032 1.00 1.00 C ATOM 1146 C THR A 73 -3.443 9.023 -0.158 1.00 1.00 C ATOM 1147 O THR A 73 -3.652 10.234 -0.079 1.00 1.00 O ATOM 1148 CB THR A 73 -1.613 7.514 0.620 1.00 1.00 C ATOM 1149 OG1 THR A 73 -1.194 6.662 1.678 1.00 1.00 O ATOM 1150 CG2 THR A 73 -0.514 8.533 0.318 1.00 1.00 C ATOM 0 H THR A 73 -3.630 6.310 1.370 1.00 1.00 H new ATOM 0 HA THR A 73 -2.665 8.946 1.836 1.00 1.00 H new ATOM 0 HB THR A 73 -1.807 6.918 -0.272 1.00 1.00 H new ATOM 0 HG1 THR A 73 -1.568 5.766 1.544 1.00 1.00 H new ATOM 0 HG21 THR A 73 0.396 8.010 0.025 1.00 1.00 H new ATOM 0 HG22 THR A 73 -0.836 9.185 -0.494 1.00 1.00 H new ATOM 0 HG23 THR A 73 -0.318 9.131 1.208 1.00 1.00 H new ATOM 1158 N LEU A 74 -3.681 8.319 -1.260 1.00 1.00 N ATOM 1159 CA LEU A 74 -4.211 8.953 -2.460 1.00 1.00 C ATOM 1160 C LEU A 74 -5.346 9.908 -2.103 1.00 1.00 C ATOM 1161 O LEU A 74 -5.350 11.066 -2.516 1.00 1.00 O ATOM 1162 CB LEU A 74 -4.727 7.886 -3.429 1.00 1.00 C ATOM 1163 CG LEU A 74 -3.967 7.973 -4.756 1.00 1.00 C ATOM 1164 CD1 LEU A 74 -2.490 7.647 -4.529 1.00 1.00 C ATOM 1165 CD2 LEU A 74 -4.556 6.967 -5.746 1.00 1.00 C ATOM 0 H LEU A 74 -3.516 7.316 -1.346 1.00 1.00 H new ATOM 0 HA LEU A 74 -3.409 9.519 -2.935 1.00 1.00 H new ATOM 0 HB2 LEU A 74 -4.601 6.895 -2.993 1.00 1.00 H new ATOM 0 HB3 LEU A 74 -5.794 8.025 -3.602 1.00 1.00 H new ATOM 0 HG LEU A 74 -4.059 8.983 -5.156 1.00 1.00 H new ATOM 0 HD11 LEU A 74 -1.954 7.710 -5.476 1.00 1.00 H new ATOM 0 HD12 LEU A 74 -2.064 8.360 -3.823 1.00 1.00 H new ATOM 0 HD13 LEU A 74 -2.398 6.638 -4.126 1.00 1.00 H new ATOM 0 HD21 LEU A 74 -4.016 7.028 -6.691 1.00 1.00 H new ATOM 0 HD22 LEU A 74 -4.464 5.960 -5.339 1.00 1.00 H new ATOM 0 HD23 LEU A 74 -5.608 7.195 -5.914 1.00 1.00 H new ATOM 1177 N ASN A 75 -6.310 9.411 -1.331 1.00 1.00 N ATOM 1178 CA ASN A 75 -7.446 10.229 -0.922 1.00 1.00 C ATOM 1179 C ASN A 75 -6.973 11.589 -0.425 1.00 1.00 C ATOM 1180 O ASN A 75 -7.387 12.628 -0.941 1.00 1.00 O ATOM 1181 CB ASN A 75 -8.229 9.522 0.186 1.00 1.00 C ATOM 1182 CG ASN A 75 -8.786 8.204 -0.329 1.00 1.00 C ATOM 1183 OD1 ASN A 75 -8.304 7.672 -1.330 1.00 1.00 O ATOM 1184 ND2 ASN A 75 -9.781 7.636 0.298 1.00 1.00 N ATOM 0 H ASN A 75 -6.327 8.454 -0.979 1.00 1.00 H new ATOM 0 HA ASN A 75 -8.094 10.375 -1.786 1.00 1.00 H new ATOM 0 HB2 ASN A 75 -7.580 9.342 1.043 1.00 1.00 H new ATOM 0 HB3 ASN A 75 -9.043 10.160 0.531 1.00 1.00 H new ATOM 0 HD21 ASN A 75 -10.159 6.752 -0.041 1.00 1.00 H new ATOM 0 HD22 ASN A 75 -10.180 8.077 1.127 1.00 1.00 H new ATOM 1191 N LYS A 76 -6.102 11.576 0.578 1.00 1.00 N ATOM 1192 CA LYS A 76 -5.578 12.817 1.138 1.00 1.00 C ATOM 1193 C LYS A 76 -4.908 13.650 0.051 1.00 1.00 C ATOM 1194 O LYS A 76 -4.773 14.866 0.183 1.00 1.00 O ATOM 1195 CB LYS A 76 -4.568 12.506 2.243 1.00 1.00 C ATOM 1196 CG LYS A 76 -4.003 13.814 2.801 1.00 1.00 C ATOM 1197 CD LYS A 76 -3.468 13.578 4.214 1.00 1.00 C ATOM 1198 CE LYS A 76 -2.460 12.427 4.194 1.00 1.00 C ATOM 1199 NZ LYS A 76 -3.185 11.130 4.319 1.00 1.00 N ATOM 0 H LYS A 76 -5.746 10.727 1.017 1.00 1.00 H new ATOM 0 HA LYS A 76 -6.408 13.386 1.557 1.00 1.00 H new ATOM 0 HB2 LYS A 76 -5.048 11.936 3.039 1.00 1.00 H new ATOM 0 HB3 LYS A 76 -3.761 11.888 1.849 1.00 1.00 H new ATOM 0 HG2 LYS A 76 -3.205 14.182 2.156 1.00 1.00 H new ATOM 0 HG3 LYS A 76 -4.779 14.580 2.818 1.00 1.00 H new ATOM 0 HD2 LYS A 76 -2.993 14.484 4.590 1.00 1.00 H new ATOM 0 HD3 LYS A 76 -4.290 13.344 4.891 1.00 1.00 H new ATOM 0 HE2 LYS A 76 -1.887 12.448 3.267 1.00 1.00 H new ATOM 0 HE3 LYS A 76 -1.748 12.538 5.012 1.00 1.00 H new ATOM 0 HZ1 LYS A 76 -2.668 10.505 4.970 1.00 1.00 H new ATOM 0 HZ2 LYS A 76 -4.141 11.301 4.690 1.00 1.00 H new ATOM 0 HZ3 LYS A 76 -3.252 10.678 3.385 1.00 1.00 H new ATOM 1213 N CYS A 77 -4.489 12.986 -1.022 1.00 1.00 N ATOM 1214 CA CYS A 77 -3.833 13.676 -2.127 1.00 1.00 C ATOM 1215 C CYS A 77 -4.851 14.065 -3.193 1.00 1.00 C ATOM 1216 O CYS A 77 -4.640 15.012 -3.949 1.00 1.00 O ATOM 1217 CB CYS A 77 -2.762 12.774 -2.744 1.00 1.00 C ATOM 1218 SG CYS A 77 -1.545 12.330 -1.480 1.00 1.00 S ATOM 0 H CYS A 77 -4.591 11.979 -1.149 1.00 1.00 H new ATOM 0 HA CYS A 77 -3.365 14.581 -1.740 1.00 1.00 H new ATOM 0 HB2 CYS A 77 -3.221 11.874 -3.154 1.00 1.00 H new ATOM 0 HB3 CYS A 77 -2.272 13.287 -3.571 1.00 1.00 H new ATOM 0 HG CYS A 77 -2.052 11.435 -0.685 1.00 1.00 H new ATOM 1224 N ALA A 78 -5.957 13.328 -3.249 1.00 1.00 N ATOM 1225 CA ALA A 78 -7.001 13.606 -4.227 1.00 1.00 C ATOM 1226 C ALA A 78 -7.803 14.837 -3.819 1.00 1.00 C ATOM 1227 O ALA A 78 -8.845 15.133 -4.403 1.00 1.00 O ATOM 1228 CB ALA A 78 -7.937 12.402 -4.347 1.00 1.00 C ATOM 0 H ALA A 78 -6.152 12.539 -2.632 1.00 1.00 H new ATOM 0 HA ALA A 78 -6.529 13.797 -5.191 1.00 1.00 H new ATOM 0 HB1 ALA A 78 -8.715 12.617 -5.080 1.00 1.00 H new ATOM 0 HB2 ALA A 78 -7.368 11.529 -4.668 1.00 1.00 H new ATOM 0 HB3 ALA A 78 -8.396 12.200 -3.379 1.00 1.00 H new