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 :FLIP amide:sc= -0.909 F(o=-3.5!,f=-2.1) USER MOD Set 1.2: A 76 LYS NZ :NH3+ -114:sc= -1.21 (180deg=-3.17!) USER MOD Single : A 22 LYS NZ :NH3+ 156:sc= -0.456 (180deg=-1.21!) USER MOD Single : A 25 CYS SG : rot 180:sc= -0.421 USER MOD Single : A 35 GLN : amide:sc= -2.73! C(o=-2.7!,f=-3.4!) USER MOD Single : A 36 TYR OH : rot -42:sc= -4.55! USER MOD Single : A 38 GLN : amide:sc= -0.971 X(o=-0.97,f=-0.49) USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 SER OG : rot 96:sc= -0.4! USER MOD Single : A 44 GLN : amide:sc= -0.119 X(o=-0.12,f=-0.007) USER MOD Single : A 48 ASN :FLIP amide:sc= -3.08 F(o=-7.2!,f=-3.1) USER MOD Single : A 53 LYS NZ :NH3+ -153:sc= -2.62! (180deg=-3.01!) USER MOD Single : A 68 CYS SG : rot -34:sc= -0.739 USER MOD Single : A 73 THR OG1 : rot 72:sc= 0.697 USER MOD Single : A 75 ASN : amide:sc= -11! C(o=-11!,f=-12!) USER MOD Single : A 77 CYS SG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 293 N GLU A 20 4.083 8.375 -2.116 1.00 1.00 N ATOM 294 CA GLU A 20 3.048 7.407 -1.780 1.00 1.00 C ATOM 295 C GLU A 20 1.941 7.435 -2.829 1.00 1.00 C ATOM 296 O GLU A 20 1.263 6.434 -3.050 1.00 1.00 O ATOM 297 CB GLU A 20 2.463 7.720 -0.403 1.00 1.00 C ATOM 298 CG GLU A 20 3.502 7.409 0.676 1.00 1.00 C ATOM 299 CD GLU A 20 3.455 5.928 1.033 1.00 1.00 C ATOM 300 OE1 GLU A 20 2.380 5.451 1.360 1.00 1.00 O ATOM 301 OE2 GLU A 20 4.493 5.291 0.971 1.00 1.00 O ATOM 0 HA GLU A 20 3.494 6.412 -1.760 1.00 1.00 H new ATOM 0 HB2 GLU A 20 2.171 8.769 -0.350 1.00 1.00 H new ATOM 0 HB3 GLU A 20 1.562 7.130 -0.236 1.00 1.00 H new ATOM 0 HG2 GLU A 20 4.498 7.675 0.321 1.00 1.00 H new ATOM 0 HG3 GLU A 20 3.309 8.012 1.563 1.00 1.00 H new ATOM 308 N ALA A 21 1.768 8.586 -3.469 1.00 1.00 N ATOM 309 CA ALA A 21 0.740 8.729 -4.497 1.00 1.00 C ATOM 310 C ALA A 21 1.102 7.903 -5.724 1.00 1.00 C ATOM 311 O ALA A 21 0.416 6.938 -6.060 1.00 1.00 O ATOM 312 CB ALA A 21 0.582 10.196 -4.899 1.00 1.00 C ATOM 0 H ALA A 21 2.319 9.427 -3.298 1.00 1.00 H new ATOM 0 HA ALA A 21 -0.204 8.370 -4.086 1.00 1.00 H new ATOM 0 HB1 ALA A 21 -0.188 10.282 -5.666 1.00 1.00 H new ATOM 0 HB2 ALA A 21 0.294 10.783 -4.027 1.00 1.00 H new ATOM 0 HB3 ALA A 21 1.528 10.570 -5.291 1.00 1.00 H new ATOM 318 N LYS A 22 2.186 8.286 -6.393 1.00 1.00 N ATOM 319 CA LYS A 22 2.623 7.565 -7.581 1.00 1.00 C ATOM 320 C LYS A 22 2.717 6.075 -7.291 1.00 1.00 C ATOM 321 O LYS A 22 2.385 5.248 -8.138 1.00 1.00 O ATOM 322 CB LYS A 22 3.987 8.087 -8.040 1.00 1.00 C ATOM 323 CG LYS A 22 4.074 8.010 -9.567 1.00 1.00 C ATOM 324 CD LYS A 22 3.388 9.230 -10.185 1.00 1.00 C ATOM 325 CE LYS A 22 2.679 8.817 -11.477 1.00 1.00 C ATOM 326 NZ LYS A 22 1.623 7.813 -11.166 1.00 1.00 N ATOM 0 H LYS A 22 2.770 9.081 -6.136 1.00 1.00 H new ATOM 0 HA LYS A 22 1.891 7.726 -8.373 1.00 1.00 H new ATOM 0 HB2 LYS A 22 4.125 9.116 -7.708 1.00 1.00 H new ATOM 0 HB3 LYS A 22 4.785 7.497 -7.589 1.00 1.00 H new ATOM 0 HG2 LYS A 22 5.117 7.970 -9.880 1.00 1.00 H new ATOM 0 HG3 LYS A 22 3.600 7.095 -9.922 1.00 1.00 H new ATOM 0 HD2 LYS A 22 2.669 9.651 -9.482 1.00 1.00 H new ATOM 0 HD3 LYS A 22 4.123 10.007 -10.394 1.00 1.00 H new ATOM 0 HE2 LYS A 22 2.236 9.690 -11.956 1.00 1.00 H new ATOM 0 HE3 LYS A 22 3.398 8.398 -12.181 1.00 1.00 H new ATOM 0 HZ1 LYS A 22 0.897 7.830 -11.911 1.00 1.00 H new ATOM 0 HZ2 LYS A 22 2.048 6.865 -11.119 1.00 1.00 H new ATOM 0 HZ3 LYS A 22 1.185 8.042 -10.251 1.00 1.00 H new ATOM 340 N GLU A 23 3.159 5.735 -6.085 1.00 1.00 N ATOM 341 CA GLU A 23 3.276 4.340 -5.699 1.00 1.00 C ATOM 342 C GLU A 23 1.892 3.765 -5.451 1.00 1.00 C ATOM 343 O GLU A 23 1.523 2.741 -6.021 1.00 1.00 O ATOM 344 CB GLU A 23 4.132 4.212 -4.437 1.00 1.00 C ATOM 345 CG GLU A 23 5.610 4.296 -4.822 1.00 1.00 C ATOM 346 CD GLU A 23 6.474 4.443 -3.575 1.00 1.00 C ATOM 347 OE1 GLU A 23 5.954 4.258 -2.488 1.00 1.00 O ATOM 348 OE2 GLU A 23 7.649 4.736 -3.730 1.00 1.00 O ATOM 0 H GLU A 23 3.439 6.402 -5.366 1.00 1.00 H new ATOM 0 HA GLU A 23 3.758 3.785 -6.504 1.00 1.00 H new ATOM 0 HB2 GLU A 23 3.882 5.004 -3.731 1.00 1.00 H new ATOM 0 HB3 GLU A 23 3.927 3.265 -3.938 1.00 1.00 H new ATOM 0 HG2 GLU A 23 5.901 3.401 -5.371 1.00 1.00 H new ATOM 0 HG3 GLU A 23 5.772 5.144 -5.487 1.00 1.00 H new ATOM 355 N ALA A 24 1.133 4.439 -4.597 1.00 1.00 N ATOM 356 CA ALA A 24 -0.216 4.002 -4.272 1.00 1.00 C ATOM 357 C ALA A 24 -0.928 3.470 -5.510 1.00 1.00 C ATOM 358 O ALA A 24 -1.502 2.382 -5.483 1.00 1.00 O ATOM 359 CB ALA A 24 -1.014 5.171 -3.688 1.00 1.00 C ATOM 0 H ALA A 24 1.429 5.289 -4.118 1.00 1.00 H new ATOM 0 HA ALA A 24 -0.147 3.200 -3.537 1.00 1.00 H new ATOM 0 HB1 ALA A 24 -2.023 4.838 -3.447 1.00 1.00 H new ATOM 0 HB2 ALA A 24 -0.524 5.530 -2.783 1.00 1.00 H new ATOM 0 HB3 ALA A 24 -1.063 5.979 -4.418 1.00 1.00 H new ATOM 365 N CYS A 25 -0.893 4.237 -6.594 1.00 1.00 N ATOM 366 CA CYS A 25 -1.548 3.823 -7.830 1.00 1.00 C ATOM 367 C CYS A 25 -0.760 2.715 -8.522 1.00 1.00 C ATOM 368 O CYS A 25 -1.343 1.813 -9.123 1.00 1.00 O ATOM 369 CB CYS A 25 -1.682 5.019 -8.773 1.00 1.00 C ATOM 370 SG CYS A 25 -0.731 4.708 -10.281 1.00 1.00 S ATOM 0 H CYS A 25 -0.423 5.141 -6.643 1.00 1.00 H new ATOM 0 HA CYS A 25 -2.537 3.440 -7.579 1.00 1.00 H new ATOM 0 HB2 CYS A 25 -2.731 5.186 -9.019 1.00 1.00 H new ATOM 0 HB3 CYS A 25 -1.322 5.924 -8.283 1.00 1.00 H new ATOM 0 HG CYS A 25 -0.847 5.724 -11.084 1.00 1.00 H new ATOM 376 N ASP A 26 0.564 2.788 -8.438 1.00 1.00 N ATOM 377 CA ASP A 26 1.411 1.778 -9.069 1.00 1.00 C ATOM 378 C ASP A 26 1.451 0.509 -8.226 1.00 1.00 C ATOM 379 O ASP A 26 1.898 -0.540 -8.690 1.00 1.00 O ATOM 380 CB ASP A 26 2.829 2.320 -9.248 1.00 1.00 C ATOM 381 CG ASP A 26 3.532 1.594 -10.389 1.00 1.00 C ATOM 382 OD1 ASP A 26 3.672 0.385 -10.302 1.00 1.00 O ATOM 383 OD2 ASP A 26 3.933 2.261 -11.328 1.00 1.00 O ATOM 0 H ASP A 26 1.070 3.525 -7.947 1.00 1.00 H new ATOM 0 HA ASP A 26 0.990 1.538 -10.045 1.00 1.00 H new ATOM 0 HB2 ASP A 26 2.793 3.389 -9.455 1.00 1.00 H new ATOM 0 HB3 ASP A 26 3.394 2.193 -8.324 1.00 1.00 H new ATOM 388 N TRP A 27 0.978 0.610 -6.989 1.00 1.00 N ATOM 389 CA TRP A 27 0.960 -0.539 -6.094 1.00 1.00 C ATOM 390 C TRP A 27 -0.355 -1.295 -6.240 1.00 1.00 C ATOM 391 O TRP A 27 -0.372 -2.524 -6.310 1.00 1.00 O ATOM 392 CB TRP A 27 1.135 -0.079 -4.644 1.00 1.00 C ATOM 393 CG TRP A 27 1.044 -1.260 -3.731 1.00 1.00 C ATOM 394 CD1 TRP A 27 2.093 -2.010 -3.322 1.00 1.00 C ATOM 395 CD2 TRP A 27 -0.140 -1.839 -3.109 1.00 1.00 C ATOM 396 NE1 TRP A 27 1.629 -3.012 -2.489 1.00 1.00 N ATOM 397 CE2 TRP A 27 0.258 -2.948 -2.327 1.00 1.00 C ATOM 398 CE3 TRP A 27 -1.508 -1.511 -3.147 1.00 1.00 C ATOM 399 CZ2 TRP A 27 -0.666 -3.707 -1.609 1.00 1.00 C ATOM 400 CZ3 TRP A 27 -2.440 -2.273 -2.425 1.00 1.00 C ATOM 401 CH2 TRP A 27 -2.021 -3.368 -1.658 1.00 1.00 C ATOM 0 H TRP A 27 0.605 1.469 -6.586 1.00 1.00 H new ATOM 0 HA TRP A 27 1.783 -1.202 -6.359 1.00 1.00 H new ATOM 0 HB2 TRP A 27 2.099 0.415 -4.522 1.00 1.00 H new ATOM 0 HB3 TRP A 27 0.368 0.652 -4.388 1.00 1.00 H new ATOM 0 HD1 TRP A 27 3.124 -1.852 -3.600 1.00 1.00 H new ATOM 0 HE1 TRP A 27 2.226 -3.712 -2.048 1.00 1.00 H new ATOM 0 HE3 TRP A 27 -1.842 -0.669 -3.735 1.00 1.00 H new ATOM 0 HZ2 TRP A 27 -0.337 -4.550 -1.020 1.00 1.00 H new ATOM 0 HZ3 TRP A 27 -3.488 -2.013 -2.461 1.00 1.00 H new ATOM 0 HH2 TRP A 27 -2.744 -3.949 -1.105 1.00 1.00 H new ATOM 412 N LEU A 28 -1.454 -0.550 -6.291 1.00 1.00 N ATOM 413 CA LEU A 28 -2.771 -1.158 -6.435 1.00 1.00 C ATOM 414 C LEU A 28 -2.767 -2.160 -7.587 1.00 1.00 C ATOM 415 O LEU A 28 -2.919 -3.363 -7.378 1.00 1.00 O ATOM 416 CB LEU A 28 -3.822 -0.076 -6.708 1.00 1.00 C ATOM 417 CG LEU A 28 -4.084 0.737 -5.431 1.00 1.00 C ATOM 418 CD1 LEU A 28 -4.618 2.126 -5.793 1.00 1.00 C ATOM 419 CD2 LEU A 28 -5.119 0.020 -4.557 1.00 1.00 C ATOM 0 H LEU A 28 -1.459 0.468 -6.235 1.00 1.00 H new ATOM 0 HA LEU A 28 -3.016 -1.677 -5.508 1.00 1.00 H new ATOM 0 HB2 LEU A 28 -3.478 0.584 -7.505 1.00 1.00 H new ATOM 0 HB3 LEU A 28 -4.748 -0.536 -7.052 1.00 1.00 H new ATOM 0 HG LEU A 28 -3.146 0.836 -4.884 1.00 1.00 H new ATOM 0 HD11 LEU A 28 -4.801 2.695 -4.881 1.00 1.00 H new ATOM 0 HD12 LEU A 28 -3.884 2.649 -6.406 1.00 1.00 H new ATOM 0 HD13 LEU A 28 -5.550 2.024 -6.350 1.00 1.00 H new ATOM 0 HD21 LEU A 28 -5.299 0.603 -3.654 1.00 1.00 H new ATOM 0 HD22 LEU A 28 -6.051 -0.088 -5.111 1.00 1.00 H new ATOM 0 HD23 LEU A 28 -4.744 -0.966 -4.284 1.00 1.00 H new ATOM 431 N ARG A 29 -2.598 -1.650 -8.805 1.00 1.00 N ATOM 432 CA ARG A 29 -2.585 -2.507 -9.986 1.00 1.00 C ATOM 433 C ARG A 29 -1.641 -3.690 -9.791 1.00 1.00 C ATOM 434 O ARG A 29 -1.858 -4.766 -10.347 1.00 1.00 O ATOM 435 CB ARG A 29 -2.153 -1.703 -11.216 1.00 1.00 C ATOM 436 CG ARG A 29 -0.801 -1.040 -10.954 1.00 1.00 C ATOM 437 CD ARG A 29 -0.317 -0.358 -12.235 1.00 1.00 C ATOM 438 NE ARG A 29 -1.437 0.282 -12.915 1.00 1.00 N ATOM 439 CZ ARG A 29 -1.881 1.476 -12.536 1.00 1.00 C ATOM 440 NH1 ARG A 29 -1.303 2.103 -11.549 1.00 1.00 N ATOM 441 NH2 ARG A 29 -2.894 2.021 -13.151 1.00 1.00 N ATOM 0 H ARG A 29 -2.469 -0.657 -8.998 1.00 1.00 H new ATOM 0 HA ARG A 29 -3.595 -2.889 -10.138 1.00 1.00 H new ATOM 0 HB2 ARG A 29 -2.085 -2.358 -12.084 1.00 1.00 H new ATOM 0 HB3 ARG A 29 -2.901 -0.945 -11.447 1.00 1.00 H new ATOM 0 HG2 ARG A 29 -0.891 -0.309 -10.151 1.00 1.00 H new ATOM 0 HG3 ARG A 29 -0.075 -1.785 -10.628 1.00 1.00 H new ATOM 0 HD2 ARG A 29 0.445 0.384 -11.996 1.00 1.00 H new ATOM 0 HD3 ARG A 29 0.148 -1.092 -12.894 1.00 1.00 H new ATOM 0 HE ARG A 29 -1.888 -0.195 -13.696 1.00 1.00 H new ATOM 0 HH11 ARG A 29 -0.511 1.677 -11.068 1.00 1.00 H new ATOM 0 HH12 ARG A 29 -1.643 3.019 -11.258 1.00 1.00 H new ATOM 0 HH21 ARG A 29 -3.346 1.531 -13.923 1.00 1.00 H new ATOM 0 HH22 ARG A 29 -3.234 2.937 -12.860 1.00 1.00 H new ATOM 455 N ALA A 30 -0.594 -3.485 -8.998 1.00 1.00 N ATOM 456 CA ALA A 30 0.375 -4.546 -8.742 1.00 1.00 C ATOM 457 C ALA A 30 -0.121 -5.469 -7.634 1.00 1.00 C ATOM 458 O ALA A 30 0.371 -6.587 -7.479 1.00 1.00 O ATOM 459 CB ALA A 30 1.720 -3.941 -8.339 1.00 1.00 C ATOM 0 H ALA A 30 -0.395 -2.603 -8.525 1.00 1.00 H new ATOM 0 HA ALA A 30 0.498 -5.127 -9.656 1.00 1.00 H new ATOM 0 HB1 ALA A 30 2.437 -4.740 -8.150 1.00 1.00 H new ATOM 0 HB2 ALA A 30 2.089 -3.306 -9.144 1.00 1.00 H new ATOM 0 HB3 ALA A 30 1.595 -3.345 -7.435 1.00 1.00 H new ATOM 465 N ALA A 31 -1.093 -4.994 -6.864 1.00 1.00 N ATOM 466 CA ALA A 31 -1.644 -5.786 -5.770 1.00 1.00 C ATOM 467 C ALA A 31 -2.875 -6.559 -6.234 1.00 1.00 C ATOM 468 O ALA A 31 -3.354 -7.453 -5.538 1.00 1.00 O ATOM 469 CB ALA A 31 -2.024 -4.871 -4.606 1.00 1.00 C ATOM 0 H ALA A 31 -1.514 -4.071 -6.975 1.00 1.00 H new ATOM 0 HA ALA A 31 -0.885 -6.497 -5.442 1.00 1.00 H new ATOM 0 HB1 ALA A 31 -2.435 -5.469 -3.792 1.00 1.00 H new ATOM 0 HB2 ALA A 31 -1.138 -4.341 -4.256 1.00 1.00 H new ATOM 0 HB3 ALA A 31 -2.770 -4.150 -4.939 1.00 1.00 H new ATOM 475 N GLY A 32 -3.382 -6.206 -7.410 1.00 1.00 N ATOM 476 CA GLY A 32 -4.558 -6.873 -7.958 1.00 1.00 C ATOM 477 C GLY A 32 -5.790 -5.985 -7.835 1.00 1.00 C ATOM 478 O GLY A 32 -6.891 -6.464 -7.561 1.00 1.00 O ATOM 0 H GLY A 32 -3.000 -5.466 -7.999 1.00 1.00 H new ATOM 0 HA2 GLY A 32 -4.386 -7.121 -9.005 1.00 1.00 H new ATOM 0 HA3 GLY A 32 -4.727 -7.812 -7.432 1.00 1.00 H new ATOM 482 N PHE A 33 -5.597 -4.687 -8.042 1.00 1.00 N ATOM 483 CA PHE A 33 -6.695 -3.732 -7.953 1.00 1.00 C ATOM 484 C PHE A 33 -6.444 -2.550 -8.883 1.00 1.00 C ATOM 485 O PHE A 33 -6.416 -1.401 -8.444 1.00 1.00 O ATOM 486 CB PHE A 33 -6.834 -3.231 -6.513 1.00 1.00 C ATOM 487 CG PHE A 33 -6.878 -4.410 -5.571 1.00 1.00 C ATOM 488 CD1 PHE A 33 -8.023 -5.212 -5.506 1.00 1.00 C ATOM 489 CD2 PHE A 33 -5.774 -4.699 -4.759 1.00 1.00 C ATOM 490 CE1 PHE A 33 -8.065 -6.305 -4.632 1.00 1.00 C ATOM 491 CE2 PHE A 33 -5.815 -5.790 -3.883 1.00 1.00 C ATOM 492 CZ PHE A 33 -6.960 -6.593 -3.820 1.00 1.00 C ATOM 0 H PHE A 33 -4.694 -4.273 -8.272 1.00 1.00 H new ATOM 0 HA PHE A 33 -7.617 -4.231 -8.253 1.00 1.00 H new ATOM 0 HB2 PHE A 33 -5.996 -2.581 -6.260 1.00 1.00 H new ATOM 0 HB3 PHE A 33 -7.741 -2.636 -6.410 1.00 1.00 H new ATOM 0 HD1 PHE A 33 -8.875 -4.988 -6.131 1.00 1.00 H new ATOM 0 HD2 PHE A 33 -4.891 -4.080 -4.809 1.00 1.00 H new ATOM 0 HE1 PHE A 33 -8.948 -6.925 -4.584 1.00 1.00 H new ATOM 0 HE2 PHE A 33 -4.964 -6.012 -3.256 1.00 1.00 H new ATOM 0 HZ PHE A 33 -6.992 -7.435 -3.145 1.00 1.00 H new ATOM 502 N PRO A 34 -6.260 -2.812 -10.150 1.00 1.00 N ATOM 503 CA PRO A 34 -6.003 -1.746 -11.159 1.00 1.00 C ATOM 504 C PRO A 34 -7.216 -0.845 -11.349 1.00 1.00 C ATOM 505 O PRO A 34 -7.081 0.351 -11.608 1.00 1.00 O ATOM 506 CB PRO A 34 -5.675 -2.513 -12.443 1.00 1.00 C ATOM 507 CG PRO A 34 -6.251 -3.878 -12.260 1.00 1.00 C ATOM 508 CD PRO A 34 -6.284 -4.152 -10.756 1.00 1.00 C ATOM 0 HA PRO A 34 -5.197 -1.079 -10.853 1.00 1.00 H new ATOM 0 HB2 PRO A 34 -6.107 -2.020 -13.314 1.00 1.00 H new ATOM 0 HB3 PRO A 34 -4.598 -2.562 -12.605 1.00 1.00 H new ATOM 0 HG2 PRO A 34 -7.254 -3.933 -12.684 1.00 1.00 H new ATOM 0 HG3 PRO A 34 -5.646 -4.624 -12.775 1.00 1.00 H new ATOM 0 HD2 PRO A 34 -7.180 -4.703 -10.470 1.00 1.00 H new ATOM 0 HD3 PRO A 34 -5.428 -4.748 -10.440 1.00 1.00 H new ATOM 516 N GLN A 35 -8.401 -1.426 -11.207 1.00 1.00 N ATOM 517 CA GLN A 35 -9.632 -0.666 -11.353 1.00 1.00 C ATOM 518 C GLN A 35 -9.627 0.520 -10.397 1.00 1.00 C ATOM 519 O GLN A 35 -10.191 1.575 -10.688 1.00 1.00 O ATOM 520 CB GLN A 35 -10.830 -1.566 -11.052 1.00 1.00 C ATOM 521 CG GLN A 35 -12.068 -0.708 -10.790 1.00 1.00 C ATOM 522 CD GLN A 35 -12.141 -0.327 -9.316 1.00 1.00 C ATOM 523 OE1 GLN A 35 -12.118 0.856 -8.978 1.00 1.00 O ATOM 524 NE2 GLN A 35 -12.223 -1.264 -8.410 1.00 1.00 N ATOM 0 H GLN A 35 -8.534 -2.414 -10.992 1.00 1.00 H new ATOM 0 HA GLN A 35 -9.705 -0.298 -12.376 1.00 1.00 H new ATOM 0 HB2 GLN A 35 -11.012 -2.237 -11.891 1.00 1.00 H new ATOM 0 HB3 GLN A 35 -10.619 -2.191 -10.184 1.00 1.00 H new ATOM 0 HG2 GLN A 35 -12.033 0.192 -11.404 1.00 1.00 H new ATOM 0 HG3 GLN A 35 -12.966 -1.255 -11.077 1.00 1.00 H new ATOM 0 HE21 GLN A 35 -12.242 -2.244 -8.691 1.00 1.00 H new ATOM 0 HE22 GLN A 35 -12.268 -1.015 -7.422 1.00 1.00 H new ATOM 533 N TYR A 36 -8.989 0.329 -9.248 1.00 1.00 N ATOM 534 CA TYR A 36 -8.910 1.378 -8.240 1.00 1.00 C ATOM 535 C TYR A 36 -8.151 2.588 -8.776 1.00 1.00 C ATOM 536 O TYR A 36 -8.727 3.656 -8.970 1.00 1.00 O ATOM 537 CB TYR A 36 -8.198 0.844 -6.993 1.00 1.00 C ATOM 538 CG TYR A 36 -9.001 1.176 -5.760 1.00 1.00 C ATOM 539 CD1 TYR A 36 -9.478 2.479 -5.561 1.00 1.00 C ATOM 540 CD2 TYR A 36 -9.268 0.182 -4.812 1.00 1.00 C ATOM 541 CE1 TYR A 36 -10.222 2.784 -4.415 1.00 1.00 C ATOM 542 CE2 TYR A 36 -10.011 0.488 -3.666 1.00 1.00 C ATOM 543 CZ TYR A 36 -10.489 1.790 -3.467 1.00 1.00 C ATOM 544 OH TYR A 36 -11.220 2.095 -2.340 1.00 1.00 O ATOM 0 H TYR A 36 -8.520 -0.540 -8.992 1.00 1.00 H new ATOM 0 HA TYR A 36 -9.924 1.686 -7.984 1.00 1.00 H new ATOM 0 HB2 TYR A 36 -8.067 -0.235 -7.073 1.00 1.00 H new ATOM 0 HB3 TYR A 36 -7.202 1.281 -6.917 1.00 1.00 H new ATOM 0 HD1 TYR A 36 -9.272 3.247 -6.291 1.00 1.00 H new ATOM 0 HD2 TYR A 36 -8.901 -0.822 -4.965 1.00 1.00 H new ATOM 0 HE1 TYR A 36 -10.590 3.788 -4.262 1.00 1.00 H new ATOM 0 HE2 TYR A 36 -10.216 -0.280 -2.935 1.00 1.00 H new ATOM 0 HH TYR A 36 -10.930 2.962 -1.987 1.00 1.00 H new ATOM 554 N ALA A 37 -6.854 2.413 -9.010 1.00 1.00 N ATOM 555 CA ALA A 37 -6.019 3.495 -9.521 1.00 1.00 C ATOM 556 C ALA A 37 -6.764 4.299 -10.581 1.00 1.00 C ATOM 557 O ALA A 37 -6.733 5.529 -10.578 1.00 1.00 O ATOM 558 CB ALA A 37 -4.738 2.920 -10.130 1.00 1.00 C ATOM 0 H ALA A 37 -6.359 1.535 -8.854 1.00 1.00 H new ATOM 0 HA ALA A 37 -5.769 4.155 -8.690 1.00 1.00 H new ATOM 0 HB1 ALA A 37 -4.119 3.733 -10.510 1.00 1.00 H new ATOM 0 HB2 ALA A 37 -4.187 2.370 -9.367 1.00 1.00 H new ATOM 0 HB3 ALA A 37 -4.994 2.247 -10.948 1.00 1.00 H new ATOM 564 N GLN A 38 -7.435 3.595 -11.485 1.00 1.00 N ATOM 565 CA GLN A 38 -8.185 4.252 -12.547 1.00 1.00 C ATOM 566 C GLN A 38 -8.980 5.429 -11.991 1.00 1.00 C ATOM 567 O GLN A 38 -9.130 6.458 -12.652 1.00 1.00 O ATOM 568 CB GLN A 38 -9.138 3.249 -13.197 1.00 1.00 C ATOM 569 CG GLN A 38 -8.701 2.983 -14.639 1.00 1.00 C ATOM 570 CD GLN A 38 -8.918 4.229 -15.489 1.00 1.00 C ATOM 571 OE1 GLN A 38 -10.021 4.772 -15.527 1.00 1.00 O ATOM 572 NE2 GLN A 38 -7.925 4.716 -16.183 1.00 1.00 N ATOM 0 H GLN A 38 -7.475 2.576 -11.504 1.00 1.00 H new ATOM 0 HA GLN A 38 -7.483 4.626 -13.292 1.00 1.00 H new ATOM 0 HB2 GLN A 38 -9.143 2.318 -12.631 1.00 1.00 H new ATOM 0 HB3 GLN A 38 -10.156 3.637 -13.181 1.00 1.00 H new ATOM 0 HG2 GLN A 38 -7.650 2.696 -14.662 1.00 1.00 H new ATOM 0 HG3 GLN A 38 -9.268 2.148 -15.051 1.00 1.00 H new ATOM 0 HE21 GLN A 38 -7.011 4.265 -16.151 1.00 1.00 H new ATOM 0 HE22 GLN A 38 -8.064 5.547 -16.757 1.00 1.00 H new ATOM 581 N LEU A 39 -9.485 5.271 -10.774 1.00 1.00 N ATOM 582 CA LEU A 39 -10.266 6.322 -10.132 1.00 1.00 C ATOM 583 C LEU A 39 -9.415 7.570 -9.911 1.00 1.00 C ATOM 584 O LEU A 39 -9.902 8.693 -10.051 1.00 1.00 O ATOM 585 CB LEU A 39 -10.802 5.824 -8.786 1.00 1.00 C ATOM 586 CG LEU A 39 -11.772 4.658 -9.010 1.00 1.00 C ATOM 587 CD1 LEU A 39 -12.193 4.082 -7.656 1.00 1.00 C ATOM 588 CD2 LEU A 39 -13.016 5.142 -9.764 1.00 1.00 C ATOM 0 H LEU A 39 -9.368 4.428 -10.212 1.00 1.00 H new ATOM 0 HA LEU A 39 -11.100 6.578 -10.786 1.00 1.00 H new ATOM 0 HB2 LEU A 39 -9.976 5.504 -8.151 1.00 1.00 H new ATOM 0 HB3 LEU A 39 -11.309 6.635 -8.264 1.00 1.00 H new ATOM 0 HG LEU A 39 -11.274 3.890 -9.602 1.00 1.00 H new ATOM 0 HD11 LEU A 39 -12.883 3.253 -7.812 1.00 1.00 H new ATOM 0 HD12 LEU A 39 -11.312 3.726 -7.122 1.00 1.00 H new ATOM 0 HD13 LEU A 39 -12.685 4.857 -7.068 1.00 1.00 H new ATOM 0 HD21 LEU A 39 -13.697 4.305 -9.917 1.00 1.00 H new ATOM 0 HD22 LEU A 39 -13.517 5.915 -9.181 1.00 1.00 H new ATOM 0 HD23 LEU A 39 -12.720 5.550 -10.730 1.00 1.00 H new ATOM 600 N TYR A 40 -8.148 7.373 -9.563 1.00 1.00 N ATOM 601 CA TYR A 40 -7.251 8.500 -9.323 1.00 1.00 C ATOM 602 C TYR A 40 -7.333 9.496 -10.473 1.00 1.00 C ATOM 603 O TYR A 40 -7.626 10.673 -10.269 1.00 1.00 O ATOM 604 CB TYR A 40 -5.810 8.005 -9.171 1.00 1.00 C ATOM 605 CG TYR A 40 -4.885 9.184 -8.965 1.00 1.00 C ATOM 606 CD1 TYR A 40 -5.013 9.982 -7.822 1.00 1.00 C ATOM 607 CD2 TYR A 40 -3.899 9.475 -9.915 1.00 1.00 C ATOM 608 CE1 TYR A 40 -4.154 11.070 -7.628 1.00 1.00 C ATOM 609 CE2 TYR A 40 -3.039 10.564 -9.721 1.00 1.00 C ATOM 610 CZ TYR A 40 -3.167 11.361 -8.577 1.00 1.00 C ATOM 611 OH TYR A 40 -2.322 12.435 -8.387 1.00 1.00 O ATOM 0 H TYR A 40 -7.721 6.455 -9.442 1.00 1.00 H new ATOM 0 HA TYR A 40 -7.558 8.996 -8.402 1.00 1.00 H new ATOM 0 HB2 TYR A 40 -5.737 7.321 -8.325 1.00 1.00 H new ATOM 0 HB3 TYR A 40 -5.511 7.447 -10.058 1.00 1.00 H new ATOM 0 HD1 TYR A 40 -5.775 9.758 -7.090 1.00 1.00 H new ATOM 0 HD2 TYR A 40 -3.801 8.860 -10.797 1.00 1.00 H new ATOM 0 HE1 TYR A 40 -4.253 11.685 -6.746 1.00 1.00 H new ATOM 0 HE2 TYR A 40 -2.278 10.789 -10.453 1.00 1.00 H new ATOM 0 HH TYR A 40 -1.696 12.495 -9.138 1.00 1.00 H new ATOM 621 N GLU A 41 -7.074 9.014 -11.683 1.00 1.00 N ATOM 622 CA GLU A 41 -7.124 9.870 -12.861 1.00 1.00 C ATOM 623 C GLU A 41 -8.401 10.705 -12.860 1.00 1.00 C ATOM 624 O GLU A 41 -8.429 11.814 -13.391 1.00 1.00 O ATOM 625 CB GLU A 41 -7.071 9.016 -14.130 1.00 1.00 C ATOM 626 CG GLU A 41 -6.199 7.784 -13.882 1.00 1.00 C ATOM 627 CD GLU A 41 -5.679 7.236 -15.206 1.00 1.00 C ATOM 628 OE1 GLU A 41 -6.495 6.938 -16.062 1.00 1.00 O ATOM 629 OE2 GLU A 41 -4.473 7.118 -15.343 1.00 1.00 O ATOM 0 H GLU A 41 -6.829 8.042 -11.873 1.00 1.00 H new ATOM 0 HA GLU A 41 -6.264 10.540 -12.839 1.00 1.00 H new ATOM 0 HB2 GLU A 41 -8.077 8.710 -14.417 1.00 1.00 H new ATOM 0 HB3 GLU A 41 -6.667 9.600 -14.957 1.00 1.00 H new ATOM 0 HG2 GLU A 41 -5.362 8.045 -13.234 1.00 1.00 H new ATOM 0 HG3 GLU A 41 -6.776 7.018 -13.364 1.00 1.00 H new ATOM 636 N ASP A 42 -9.456 10.163 -12.258 1.00 1.00 N ATOM 637 CA ASP A 42 -10.733 10.864 -12.194 1.00 1.00 C ATOM 638 C ASP A 42 -10.825 11.698 -10.918 1.00 1.00 C ATOM 639 O ASP A 42 -11.647 12.608 -10.819 1.00 1.00 O ATOM 640 CB ASP A 42 -11.883 9.857 -12.227 1.00 1.00 C ATOM 641 CG ASP A 42 -12.445 9.749 -13.640 1.00 1.00 C ATOM 642 OD1 ASP A 42 -13.034 10.715 -14.098 1.00 1.00 O ATOM 643 OD2 ASP A 42 -12.288 8.699 -14.241 1.00 1.00 O ATOM 0 H ASP A 42 -9.452 9.246 -11.810 1.00 1.00 H new ATOM 0 HA ASP A 42 -10.804 11.528 -13.056 1.00 1.00 H new ATOM 0 HB2 ASP A 42 -11.532 8.881 -11.891 1.00 1.00 H new ATOM 0 HB3 ASP A 42 -12.668 10.167 -11.538 1.00 1.00 H new ATOM 648 N SER A 43 -9.978 11.375 -9.945 1.00 1.00 N ATOM 649 CA SER A 43 -9.971 12.099 -8.677 1.00 1.00 C ATOM 650 C SER A 43 -11.100 11.607 -7.775 1.00 1.00 C ATOM 651 O SER A 43 -11.343 12.172 -6.707 1.00 1.00 O ATOM 652 CB SER A 43 -10.131 13.599 -8.926 1.00 1.00 C ATOM 653 OG SER A 43 -9.619 13.917 -10.213 1.00 1.00 O ATOM 0 H SER A 43 -9.292 10.623 -10.009 1.00 1.00 H new ATOM 0 HA SER A 43 -9.017 11.916 -8.182 1.00 1.00 H new ATOM 0 HB2 SER A 43 -11.182 13.881 -8.860 1.00 1.00 H new ATOM 0 HB3 SER A 43 -9.601 14.165 -8.160 1.00 1.00 H new ATOM 0 HG SER A 43 -10.353 13.936 -10.862 1.00 1.00 H new ATOM 659 N GLN A 44 -11.779 10.549 -8.206 1.00 1.00 N ATOM 660 CA GLN A 44 -12.876 9.987 -7.426 1.00 1.00 C ATOM 661 C GLN A 44 -12.337 9.007 -6.392 1.00 1.00 C ATOM 662 O GLN A 44 -13.045 8.106 -5.945 1.00 1.00 O ATOM 663 CB GLN A 44 -13.858 9.263 -8.348 1.00 1.00 C ATOM 664 CG GLN A 44 -14.522 10.273 -9.286 1.00 1.00 C ATOM 665 CD GLN A 44 -15.787 10.828 -8.641 1.00 1.00 C ATOM 666 OE1 GLN A 44 -15.900 12.034 -8.428 1.00 1.00 O ATOM 667 NE2 GLN A 44 -16.751 10.011 -8.312 1.00 1.00 N ATOM 0 H GLN A 44 -11.591 10.066 -9.085 1.00 1.00 H new ATOM 0 HA GLN A 44 -13.392 10.801 -6.916 1.00 1.00 H new ATOM 0 HB2 GLN A 44 -13.335 8.503 -8.928 1.00 1.00 H new ATOM 0 HB3 GLN A 44 -14.615 8.748 -7.757 1.00 1.00 H new ATOM 0 HG2 GLN A 44 -13.830 11.086 -9.508 1.00 1.00 H new ATOM 0 HG3 GLN A 44 -14.767 9.795 -10.234 1.00 1.00 H new ATOM 0 HE21 GLN A 44 -16.655 9.011 -8.490 1.00 1.00 H new ATOM 0 HE22 GLN A 44 -17.600 10.373 -7.877 1.00 1.00 H new ATOM 676 N PHE A 45 -11.073 9.187 -6.024 1.00 1.00 N ATOM 677 CA PHE A 45 -10.439 8.310 -5.048 1.00 1.00 C ATOM 678 C PHE A 45 -11.120 8.404 -3.697 1.00 1.00 C ATOM 679 O PHE A 45 -11.343 7.386 -3.042 1.00 1.00 O ATOM 680 CB PHE A 45 -8.960 8.665 -4.905 1.00 1.00 C ATOM 681 CG PHE A 45 -8.124 7.474 -5.305 1.00 1.00 C ATOM 682 CD1 PHE A 45 -8.237 6.948 -6.597 1.00 1.00 C ATOM 683 CD2 PHE A 45 -7.241 6.892 -4.387 1.00 1.00 C ATOM 684 CE1 PHE A 45 -7.466 5.841 -6.973 1.00 1.00 C ATOM 685 CE2 PHE A 45 -6.470 5.786 -4.762 1.00 1.00 C ATOM 686 CZ PHE A 45 -6.582 5.262 -6.055 1.00 1.00 C ATOM 0 H PHE A 45 -10.471 9.927 -6.384 1.00 1.00 H new ATOM 0 HA PHE A 45 -10.535 7.286 -5.408 1.00 1.00 H new ATOM 0 HB2 PHE A 45 -8.717 9.522 -5.533 1.00 1.00 H new ATOM 0 HB3 PHE A 45 -8.740 8.950 -3.876 1.00 1.00 H new ATOM 0 HD1 PHE A 45 -8.919 7.396 -7.304 1.00 1.00 H new ATOM 0 HD2 PHE A 45 -7.155 7.297 -3.389 1.00 1.00 H new ATOM 0 HE1 PHE A 45 -7.553 5.435 -7.970 1.00 1.00 H new ATOM 0 HE2 PHE A 45 -5.789 5.337 -4.054 1.00 1.00 H new ATOM 0 HZ PHE A 45 -5.985 4.410 -6.345 1.00 1.00 H new ATOM 696 N PRO A 46 -11.452 9.581 -3.259 1.00 1.00 N ATOM 697 CA PRO A 46 -12.120 9.747 -1.947 1.00 1.00 C ATOM 698 C PRO A 46 -13.475 9.052 -1.939 1.00 1.00 C ATOM 699 O PRO A 46 -14.393 9.443 -2.659 1.00 1.00 O ATOM 700 CB PRO A 46 -12.278 11.266 -1.789 1.00 1.00 C ATOM 701 CG PRO A 46 -11.406 11.891 -2.833 1.00 1.00 C ATOM 702 CD PRO A 46 -11.235 10.857 -3.944 1.00 1.00 C ATOM 0 HA PRO A 46 -11.550 9.304 -1.130 1.00 1.00 H new ATOM 0 HB2 PRO A 46 -13.318 11.564 -1.922 1.00 1.00 H new ATOM 0 HB3 PRO A 46 -11.979 11.586 -0.791 1.00 1.00 H new ATOM 0 HG2 PRO A 46 -11.860 12.803 -3.221 1.00 1.00 H new ATOM 0 HG3 PRO A 46 -10.440 12.170 -2.413 1.00 1.00 H new ATOM 0 HD2 PRO A 46 -11.955 11.009 -4.748 1.00 1.00 H new ATOM 0 HD3 PRO A 46 -10.242 10.909 -4.391 1.00 1.00 H new ATOM 710 N ILE A 47 -13.584 8.026 -1.108 1.00 1.00 N ATOM 711 CA ILE A 47 -14.821 7.258 -0.981 1.00 1.00 C ATOM 712 C ILE A 47 -14.767 6.408 0.285 1.00 1.00 C ATOM 713 O ILE A 47 -13.753 6.387 0.983 1.00 1.00 O ATOM 714 CB ILE A 47 -15.008 6.329 -2.194 1.00 1.00 C ATOM 715 CG1 ILE A 47 -13.682 5.634 -2.510 1.00 1.00 C ATOM 716 CG2 ILE A 47 -15.463 7.118 -3.431 1.00 1.00 C ATOM 717 CD1 ILE A 47 -13.925 4.143 -2.745 1.00 1.00 C ATOM 0 H ILE A 47 -12.827 7.702 -0.506 1.00 1.00 H new ATOM 0 HA ILE A 47 -15.657 7.956 -0.931 1.00 1.00 H new ATOM 0 HB ILE A 47 -15.774 5.595 -1.946 1.00 1.00 H new ATOM 0 HG12 ILE A 47 -13.227 6.082 -3.394 1.00 1.00 H new ATOM 0 HG13 ILE A 47 -12.982 5.773 -1.686 1.00 1.00 H new ATOM 0 HG21 ILE A 47 -15.587 6.436 -4.272 1.00 1.00 H new ATOM 0 HG22 ILE A 47 -16.412 7.610 -3.220 1.00 1.00 H new ATOM 0 HG23 ILE A 47 -14.713 7.869 -3.680 1.00 1.00 H new ATOM 0 HD11 ILE A 47 -12.979 3.651 -2.970 1.00 1.00 H new ATOM 0 HD12 ILE A 47 -14.361 3.700 -1.850 1.00 1.00 H new ATOM 0 HD13 ILE A 47 -14.609 4.014 -3.584 1.00 1.00 H new ATOM 729 N ASN A 48 -15.855 5.699 0.568 1.00 1.00 N ATOM 730 CA ASN A 48 -15.897 4.845 1.748 1.00 1.00 C ATOM 731 C ASN A 48 -14.854 3.742 1.621 1.00 1.00 C ATOM 732 O ASN A 48 -15.132 2.668 1.088 1.00 1.00 O ATOM 733 CB ASN A 48 -17.288 4.227 1.902 1.00 1.00 C ATOM 734 CG ASN A 48 -17.719 3.566 0.598 1.00 1.00 C ATOM 735 OD1 ASN A 48 -16.892 3.532 -0.412 1.00 1.00 O flip ATOM 736 ND2 ASN A 48 -18.838 3.064 0.498 1.00 1.00 N flip ATOM 0 H ASN A 48 -16.706 5.698 0.006 1.00 1.00 H new ATOM 0 HA ASN A 48 -15.679 5.448 2.630 1.00 1.00 H new ATOM 0 HB2 ASN A 48 -17.280 3.491 2.706 1.00 1.00 H new ATOM 0 HB3 ASN A 48 -18.007 4.997 2.183 1.00 1.00 H new ATOM 0 HD21 ASN A 48 -19.482 3.092 1.288 1.00 1.00 H new ATOM 0 HD22 ASN A 48 -19.122 2.620 -0.375 1.00 1.00 H new ATOM 743 N ILE A 49 -13.647 4.020 2.105 1.00 1.00 N ATOM 744 CA ILE A 49 -12.564 3.049 2.029 1.00 1.00 C ATOM 745 C ILE A 49 -12.993 1.710 2.612 1.00 1.00 C ATOM 746 O ILE A 49 -13.073 0.718 1.904 1.00 1.00 O ATOM 747 CB ILE A 49 -11.338 3.568 2.783 1.00 1.00 C ATOM 748 CG1 ILE A 49 -10.811 4.829 2.089 1.00 1.00 C ATOM 749 CG2 ILE A 49 -10.249 2.491 2.783 1.00 1.00 C ATOM 750 CD1 ILE A 49 -9.738 5.487 2.959 1.00 1.00 C ATOM 0 H ILE A 49 -13.397 4.903 2.550 1.00 1.00 H new ATOM 0 HA ILE A 49 -12.310 2.906 0.979 1.00 1.00 H new ATOM 0 HB ILE A 49 -11.613 3.807 3.810 1.00 1.00 H new ATOM 0 HG12 ILE A 49 -10.396 4.573 1.114 1.00 1.00 H new ATOM 0 HG13 ILE A 49 -11.629 5.528 1.913 1.00 1.00 H new ATOM 0 HG21 ILE A 49 -9.374 2.858 3.320 1.00 1.00 H new ATOM 0 HG22 ILE A 49 -10.625 1.593 3.273 1.00 1.00 H new ATOM 0 HG23 ILE A 49 -9.972 2.254 1.756 1.00 1.00 H new ATOM 0 HD11 ILE A 49 -9.366 6.383 2.462 1.00 1.00 H new ATOM 0 HD12 ILE A 49 -10.168 5.759 3.923 1.00 1.00 H new ATOM 0 HD13 ILE A 49 -8.915 4.789 3.112 1.00 1.00 H new ATOM 762 N VAL A 50 -13.254 1.690 3.912 1.00 1.00 N ATOM 763 CA VAL A 50 -13.660 0.461 4.591 1.00 1.00 C ATOM 764 C VAL A 50 -14.552 -0.420 3.708 1.00 1.00 C ATOM 765 O VAL A 50 -14.395 -1.640 3.679 1.00 1.00 O ATOM 766 CB VAL A 50 -14.407 0.808 5.878 1.00 1.00 C ATOM 767 CG1 VAL A 50 -14.852 -0.481 6.572 1.00 1.00 C ATOM 768 CG2 VAL A 50 -13.479 1.592 6.808 1.00 1.00 C ATOM 0 H VAL A 50 -13.193 2.508 4.519 1.00 1.00 H new ATOM 0 HA VAL A 50 -12.755 -0.102 4.817 1.00 1.00 H new ATOM 0 HB VAL A 50 -15.281 1.413 5.640 1.00 1.00 H new ATOM 0 HG11 VAL A 50 -15.385 -0.234 7.490 1.00 1.00 H new ATOM 0 HG12 VAL A 50 -15.511 -1.042 5.909 1.00 1.00 H new ATOM 0 HG13 VAL A 50 -13.977 -1.086 6.811 1.00 1.00 H new ATOM 0 HG21 VAL A 50 -14.010 1.841 7.727 1.00 1.00 H new ATOM 0 HG22 VAL A 50 -12.606 0.985 7.047 1.00 1.00 H new ATOM 0 HG23 VAL A 50 -13.159 2.510 6.314 1.00 1.00 H new ATOM 778 N ALA A 51 -15.506 0.199 3.020 1.00 1.00 N ATOM 779 CA ALA A 51 -16.441 -0.545 2.171 1.00 1.00 C ATOM 780 C ALA A 51 -15.737 -1.345 1.071 1.00 1.00 C ATOM 781 O ALA A 51 -16.288 -2.330 0.576 1.00 1.00 O ATOM 782 CB ALA A 51 -17.437 0.419 1.529 1.00 1.00 C ATOM 0 H ALA A 51 -15.655 1.208 3.031 1.00 1.00 H new ATOM 0 HA ALA A 51 -16.955 -1.257 2.817 1.00 1.00 H new ATOM 0 HB1 ALA A 51 -18.129 -0.139 0.899 1.00 1.00 H new ATOM 0 HB2 ALA A 51 -17.994 0.939 2.308 1.00 1.00 H new ATOM 0 HB3 ALA A 51 -16.899 1.146 0.921 1.00 1.00 H new ATOM 788 N VAL A 52 -14.538 -0.931 0.676 1.00 1.00 N ATOM 789 CA VAL A 52 -13.820 -1.649 -0.378 1.00 1.00 C ATOM 790 C VAL A 52 -13.018 -2.806 0.208 1.00 1.00 C ATOM 791 O VAL A 52 -12.944 -3.882 -0.385 1.00 1.00 O ATOM 792 CB VAL A 52 -12.903 -0.701 -1.165 1.00 1.00 C ATOM 793 CG1 VAL A 52 -13.556 0.680 -1.267 1.00 1.00 C ATOM 794 CG2 VAL A 52 -11.538 -0.576 -0.472 1.00 1.00 C ATOM 0 H VAL A 52 -14.049 -0.121 1.057 1.00 1.00 H new ATOM 0 HA VAL A 52 -14.558 -2.056 -1.069 1.00 1.00 H new ATOM 0 HB VAL A 52 -12.753 -1.109 -2.165 1.00 1.00 H new ATOM 0 HG11 VAL A 52 -12.903 1.351 -1.826 1.00 1.00 H new ATOM 0 HG12 VAL A 52 -14.513 0.593 -1.781 1.00 1.00 H new ATOM 0 HG13 VAL A 52 -13.717 1.081 -0.266 1.00 1.00 H new ATOM 0 HG21 VAL A 52 -10.901 0.099 -1.043 1.00 1.00 H new ATOM 0 HG22 VAL A 52 -11.676 -0.181 0.534 1.00 1.00 H new ATOM 0 HG23 VAL A 52 -11.068 -1.558 -0.415 1.00 1.00 H new ATOM 804 N LYS A 53 -12.427 -2.587 1.377 1.00 1.00 N ATOM 805 CA LYS A 53 -11.645 -3.628 2.030 1.00 1.00 C ATOM 806 C LYS A 53 -12.409 -4.946 2.012 1.00 1.00 C ATOM 807 O LYS A 53 -11.840 -6.014 2.233 1.00 1.00 O ATOM 808 CB LYS A 53 -11.349 -3.231 3.474 1.00 1.00 C ATOM 809 CG LYS A 53 -10.739 -1.827 3.502 1.00 1.00 C ATOM 810 CD LYS A 53 -10.305 -1.478 4.932 1.00 1.00 C ATOM 811 CE LYS A 53 -9.159 -2.394 5.378 1.00 1.00 C ATOM 812 NZ LYS A 53 -9.718 -3.579 6.089 1.00 1.00 N ATOM 0 H LYS A 53 -12.474 -1.705 1.888 1.00 1.00 H new ATOM 0 HA LYS A 53 -10.706 -3.750 1.490 1.00 1.00 H new ATOM 0 HB2 LYS A 53 -12.265 -3.253 4.064 1.00 1.00 H new ATOM 0 HB3 LYS A 53 -10.662 -3.947 3.926 1.00 1.00 H new ATOM 0 HG2 LYS A 53 -9.882 -1.779 2.830 1.00 1.00 H new ATOM 0 HG3 LYS A 53 -11.466 -1.097 3.144 1.00 1.00 H new ATOM 0 HD2 LYS A 53 -9.987 -0.437 4.979 1.00 1.00 H new ATOM 0 HD3 LYS A 53 -11.150 -1.584 5.612 1.00 1.00 H new ATOM 0 HE2 LYS A 53 -8.579 -2.716 4.513 1.00 1.00 H new ATOM 0 HE3 LYS A 53 -8.479 -1.850 6.034 1.00 1.00 H new ATOM 0 HZ1 LYS A 53 -9.015 -3.943 6.763 1.00 1.00 H new ATOM 0 HZ2 LYS A 53 -10.579 -3.301 6.603 1.00 1.00 H new ATOM 0 HZ3 LYS A 53 -9.951 -4.320 5.398 1.00 1.00 H new ATOM 969 N LEU A 63 -3.042 -8.073 1.663 1.00 1.00 N ATOM 970 CA LEU A 63 -3.272 -7.028 0.673 1.00 1.00 C ATOM 971 C LEU A 63 -4.263 -6.000 1.206 1.00 1.00 C ATOM 972 O LEU A 63 -4.229 -4.833 0.817 1.00 1.00 O ATOM 973 CB LEU A 63 -3.821 -7.640 -0.621 1.00 1.00 C ATOM 974 CG LEU A 63 -2.667 -8.144 -1.500 1.00 1.00 C ATOM 975 CD1 LEU A 63 -1.844 -6.967 -2.041 1.00 1.00 C ATOM 976 CD2 LEU A 63 -1.760 -9.054 -0.672 1.00 1.00 C ATOM 0 HA LEU A 63 -2.322 -6.535 0.467 1.00 1.00 H new ATOM 0 HB2 LEU A 63 -4.495 -8.464 -0.385 1.00 1.00 H new ATOM 0 HB3 LEU A 63 -4.404 -6.897 -1.165 1.00 1.00 H new ATOM 0 HG LEU A 63 -3.085 -8.696 -2.342 1.00 1.00 H new ATOM 0 HD11 LEU A 63 -1.032 -7.346 -2.661 1.00 1.00 H new ATOM 0 HD12 LEU A 63 -2.485 -6.319 -2.639 1.00 1.00 H new ATOM 0 HD13 LEU A 63 -1.430 -6.399 -1.208 1.00 1.00 H new ATOM 0 HD21 LEU A 63 -0.940 -9.413 -1.294 1.00 1.00 H new ATOM 0 HD22 LEU A 63 -1.357 -8.495 0.173 1.00 1.00 H new ATOM 0 HD23 LEU A 63 -2.335 -9.903 -0.304 1.00 1.00 H new ATOM 988 N VAL A 64 -5.145 -6.443 2.095 1.00 1.00 N ATOM 989 CA VAL A 64 -6.153 -5.558 2.675 1.00 1.00 C ATOM 990 C VAL A 64 -5.499 -4.467 3.519 1.00 1.00 C ATOM 991 O VAL A 64 -5.873 -3.297 3.434 1.00 1.00 O ATOM 992 CB VAL A 64 -7.118 -6.367 3.543 1.00 1.00 C ATOM 993 CG1 VAL A 64 -8.197 -5.441 4.108 1.00 1.00 C ATOM 994 CG2 VAL A 64 -7.778 -7.453 2.690 1.00 1.00 C ATOM 0 H VAL A 64 -5.184 -7.406 2.430 1.00 1.00 H new ATOM 0 HA VAL A 64 -6.702 -5.085 1.860 1.00 1.00 H new ATOM 0 HB VAL A 64 -6.569 -6.828 4.364 1.00 1.00 H new ATOM 0 HG11 VAL A 64 -8.884 -6.018 4.726 1.00 1.00 H new ATOM 0 HG12 VAL A 64 -7.729 -4.664 4.713 1.00 1.00 H new ATOM 0 HG13 VAL A 64 -8.747 -4.980 3.288 1.00 1.00 H new ATOM 0 HG21 VAL A 64 -8.466 -8.031 3.306 1.00 1.00 H new ATOM 0 HG22 VAL A 64 -8.327 -6.989 1.871 1.00 1.00 H new ATOM 0 HG23 VAL A 64 -7.011 -8.113 2.285 1.00 1.00 H new ATOM 1004 N GLU A 65 -4.524 -4.853 4.334 1.00 1.00 N ATOM 1005 CA GLU A 65 -3.833 -3.892 5.185 1.00 1.00 C ATOM 1006 C GLU A 65 -3.260 -2.738 4.357 1.00 1.00 C ATOM 1007 O GLU A 65 -3.646 -1.586 4.553 1.00 1.00 O ATOM 1008 CB GLU A 65 -2.717 -4.582 5.973 1.00 1.00 C ATOM 1009 CG GLU A 65 -3.173 -4.791 7.417 1.00 1.00 C ATOM 1010 CD GLU A 65 -4.478 -5.579 7.444 1.00 1.00 C ATOM 1011 OE1 GLU A 65 -4.813 -6.166 6.429 1.00 1.00 O ATOM 1012 OE2 GLU A 65 -5.125 -5.581 8.478 1.00 1.00 O ATOM 0 H GLU A 65 -4.197 -5.815 4.423 1.00 1.00 H new ATOM 0 HA GLU A 65 -4.558 -3.481 5.887 1.00 1.00 H new ATOM 0 HB2 GLU A 65 -2.471 -5.540 5.515 1.00 1.00 H new ATOM 0 HB3 GLU A 65 -1.811 -3.976 5.950 1.00 1.00 H new ATOM 0 HG2 GLU A 65 -2.405 -5.325 7.976 1.00 1.00 H new ATOM 0 HG3 GLU A 65 -3.311 -3.827 7.907 1.00 1.00 H new ATOM 1019 N PRO A 66 -2.357 -3.012 3.442 1.00 1.00 N ATOM 1020 CA PRO A 66 -1.748 -1.947 2.590 1.00 1.00 C ATOM 1021 C PRO A 66 -2.780 -1.260 1.697 1.00 1.00 C ATOM 1022 O PRO A 66 -2.624 -0.093 1.342 1.00 1.00 O ATOM 1023 CB PRO A 66 -0.703 -2.687 1.748 1.00 1.00 C ATOM 1024 CG PRO A 66 -1.095 -4.125 1.789 1.00 1.00 C ATOM 1025 CD PRO A 66 -1.817 -4.344 3.116 1.00 1.00 C ATOM 0 HA PRO A 66 -1.318 -1.148 3.194 1.00 1.00 H new ATOM 0 HB2 PRO A 66 -0.690 -2.314 0.724 1.00 1.00 H new ATOM 0 HB3 PRO A 66 0.299 -2.543 2.152 1.00 1.00 H new ATOM 0 HG2 PRO A 66 -1.744 -4.373 0.949 1.00 1.00 H new ATOM 0 HG3 PRO A 66 -0.218 -4.768 1.715 1.00 1.00 H new ATOM 0 HD2 PRO A 66 -2.610 -5.086 3.023 1.00 1.00 H new ATOM 0 HD3 PRO A 66 -1.136 -4.700 3.889 1.00 1.00 H new ATOM 1033 N LEU A 67 -3.835 -1.986 1.340 1.00 1.00 N ATOM 1034 CA LEU A 67 -4.879 -1.421 0.491 1.00 1.00 C ATOM 1035 C LEU A 67 -5.477 -0.185 1.156 1.00 1.00 C ATOM 1036 O LEU A 67 -5.616 0.861 0.526 1.00 1.00 O ATOM 1037 CB LEU A 67 -5.972 -2.471 0.234 1.00 1.00 C ATOM 1038 CG LEU A 67 -7.137 -1.857 -0.556 1.00 1.00 C ATOM 1039 CD1 LEU A 67 -6.615 -1.257 -1.862 1.00 1.00 C ATOM 1040 CD2 LEU A 67 -8.168 -2.945 -0.877 1.00 1.00 C ATOM 0 H LEU A 67 -3.989 -2.954 1.621 1.00 1.00 H new ATOM 0 HA LEU A 67 -4.443 -1.129 -0.465 1.00 1.00 H new ATOM 0 HB2 LEU A 67 -5.553 -3.312 -0.319 1.00 1.00 H new ATOM 0 HB3 LEU A 67 -6.336 -2.864 1.183 1.00 1.00 H new ATOM 0 HG LEU A 67 -7.603 -1.075 0.043 1.00 1.00 H new ATOM 0 HD11 LEU A 67 -7.444 -0.822 -2.420 1.00 1.00 H new ATOM 0 HD12 LEU A 67 -5.882 -0.482 -1.639 1.00 1.00 H new ATOM 0 HD13 LEU A 67 -6.146 -2.039 -2.460 1.00 1.00 H new ATOM 0 HD21 LEU A 67 -8.995 -2.509 -1.438 1.00 1.00 H new ATOM 0 HD22 LEU A 67 -7.698 -3.727 -1.473 1.00 1.00 H new ATOM 0 HD23 LEU A 67 -8.545 -3.374 0.051 1.00 1.00 H new ATOM 1052 N CYS A 68 -5.822 -0.310 2.432 1.00 1.00 N ATOM 1053 CA CYS A 68 -6.399 0.809 3.167 1.00 1.00 C ATOM 1054 C CYS A 68 -5.333 1.858 3.469 1.00 1.00 C ATOM 1055 O CYS A 68 -5.645 2.974 3.884 1.00 1.00 O ATOM 1056 CB CYS A 68 -7.011 0.311 4.478 1.00 1.00 C ATOM 1057 SG CYS A 68 -7.980 1.641 5.235 1.00 1.00 S ATOM 0 H CYS A 68 -5.714 -1.167 2.975 1.00 1.00 H new ATOM 0 HA CYS A 68 -7.176 1.263 2.551 1.00 1.00 H new ATOM 0 HB2 CYS A 68 -7.646 -0.554 4.290 1.00 1.00 H new ATOM 0 HB3 CYS A 68 -6.224 -0.013 5.159 1.00 1.00 H new ATOM 0 HG CYS A 68 -7.411 2.784 4.993 1.00 1.00 H new ATOM 1063 N ARG A 69 -4.072 1.491 3.259 1.00 1.00 N ATOM 1064 CA ARG A 69 -2.965 2.404 3.514 1.00 1.00 C ATOM 1065 C ARG A 69 -2.770 3.364 2.343 1.00 1.00 C ATOM 1066 O ARG A 69 -2.651 4.574 2.535 1.00 1.00 O ATOM 1067 CB ARG A 69 -1.678 1.610 3.742 1.00 1.00 C ATOM 1068 CG ARG A 69 -0.613 2.527 4.342 1.00 1.00 C ATOM 1069 CD ARG A 69 0.759 1.862 4.219 1.00 1.00 C ATOM 1070 NE ARG A 69 1.194 1.857 2.826 1.00 1.00 N ATOM 1071 CZ ARG A 69 2.049 0.946 2.376 1.00 1.00 C ATOM 1072 NH1 ARG A 69 2.521 0.037 3.185 1.00 1.00 N ATOM 1073 NH2 ARG A 69 2.419 0.960 1.124 1.00 1.00 N ATOM 0 H ARG A 69 -3.793 0.572 2.915 1.00 1.00 H new ATOM 0 HA ARG A 69 -3.201 2.985 4.406 1.00 1.00 H new ATOM 0 HB2 ARG A 69 -1.869 0.771 4.411 1.00 1.00 H new ATOM 0 HB3 ARG A 69 -1.324 1.192 2.800 1.00 1.00 H new ATOM 0 HG2 ARG A 69 -0.611 3.487 3.826 1.00 1.00 H new ATOM 0 HG3 ARG A 69 -0.839 2.728 5.389 1.00 1.00 H new ATOM 0 HD2 ARG A 69 1.486 2.395 4.832 1.00 1.00 H new ATOM 0 HD3 ARG A 69 0.711 0.840 4.596 1.00 1.00 H new ATOM 0 HE ARG A 69 0.835 2.566 2.187 1.00 1.00 H new ATOM 0 HH11 ARG A 69 2.233 0.026 4.163 1.00 1.00 H new ATOM 0 HH12 ARG A 69 3.178 -0.662 2.839 1.00 1.00 H new ATOM 0 HH21 ARG A 69 2.051 1.671 0.491 1.00 1.00 H new ATOM 0 HH22 ARG A 69 3.076 0.260 0.778 1.00 1.00 H new ATOM 1087 N ARG A 70 -2.731 2.818 1.132 1.00 1.00 N ATOM 1088 CA ARG A 70 -2.542 3.640 -0.058 1.00 1.00 C ATOM 1089 C ARG A 70 -3.758 4.529 -0.303 1.00 1.00 C ATOM 1090 O ARG A 70 -3.646 5.755 -0.311 1.00 1.00 O ATOM 1091 CB ARG A 70 -2.304 2.752 -1.283 1.00 1.00 C ATOM 1092 CG ARG A 70 -1.128 1.808 -1.023 1.00 1.00 C ATOM 1093 CD ARG A 70 0.143 2.615 -0.745 1.00 1.00 C ATOM 1094 NE ARG A 70 1.314 1.877 -1.204 1.00 1.00 N ATOM 1095 CZ ARG A 70 2.472 2.489 -1.429 1.00 1.00 C ATOM 1096 NH1 ARG A 70 2.575 3.776 -1.248 1.00 1.00 N ATOM 1097 NH2 ARG A 70 3.504 1.801 -1.835 1.00 1.00 N ATOM 0 H ARG A 70 -2.827 1.819 0.949 1.00 1.00 H new ATOM 0 HA ARG A 70 -1.670 4.274 0.105 1.00 1.00 H new ATOM 0 HB2 ARG A 70 -3.202 2.175 -1.505 1.00 1.00 H new ATOM 0 HB3 ARG A 70 -2.099 3.371 -2.157 1.00 1.00 H new ATOM 0 HG2 ARG A 70 -1.351 1.162 -0.174 1.00 1.00 H new ATOM 0 HG3 ARG A 70 -0.975 1.159 -1.885 1.00 1.00 H new ATOM 0 HD2 ARG A 70 0.089 3.579 -1.251 1.00 1.00 H new ATOM 0 HD3 ARG A 70 0.227 2.820 0.322 1.00 1.00 H new ATOM 0 HE ARG A 70 1.243 0.871 -1.355 1.00 1.00 H new ATOM 0 HH11 ARG A 70 1.767 4.313 -0.934 1.00 1.00 H new ATOM 0 HH12 ARG A 70 3.464 4.246 -1.421 1.00 1.00 H new ATOM 0 HH21 ARG A 70 3.421 0.795 -1.979 1.00 1.00 H new ATOM 0 HH22 ARG A 70 4.393 2.270 -2.008 1.00 1.00 H new ATOM 1111 N LEU A 71 -4.916 3.908 -0.502 1.00 1.00 N ATOM 1112 CA LEU A 71 -6.140 4.664 -0.748 1.00 1.00 C ATOM 1113 C LEU A 71 -6.209 5.877 0.173 1.00 1.00 C ATOM 1114 O LEU A 71 -6.501 6.989 -0.269 1.00 1.00 O ATOM 1115 CB LEU A 71 -7.361 3.776 -0.509 1.00 1.00 C ATOM 1116 CG LEU A 71 -7.296 2.544 -1.418 1.00 1.00 C ATOM 1117 CD1 LEU A 71 -8.360 1.542 -0.974 1.00 1.00 C ATOM 1118 CD2 LEU A 71 -7.543 2.941 -2.880 1.00 1.00 C ATOM 0 H LEU A 71 -5.033 2.895 -0.498 1.00 1.00 H new ATOM 0 HA LEU A 71 -6.134 5.002 -1.784 1.00 1.00 H new ATOM 0 HB2 LEU A 71 -7.398 3.467 0.535 1.00 1.00 H new ATOM 0 HB3 LEU A 71 -8.274 4.337 -0.707 1.00 1.00 H new ATOM 0 HG LEU A 71 -6.305 2.096 -1.342 1.00 1.00 H new ATOM 0 HD11 LEU A 71 -8.321 0.662 -1.616 1.00 1.00 H new ATOM 0 HD12 LEU A 71 -8.174 1.247 0.059 1.00 1.00 H new ATOM 0 HD13 LEU A 71 -9.346 2.001 -1.048 1.00 1.00 H new ATOM 0 HD21 LEU A 71 -7.493 2.054 -3.511 1.00 1.00 H new ATOM 0 HD22 LEU A 71 -8.529 3.397 -2.972 1.00 1.00 H new ATOM 0 HD23 LEU A 71 -6.783 3.655 -3.197 1.00 1.00 H new ATOM 1130 N ASN A 72 -5.939 5.654 1.455 1.00 1.00 N ATOM 1131 CA ASN A 72 -5.973 6.734 2.432 1.00 1.00 C ATOM 1132 C ASN A 72 -4.998 7.841 2.044 1.00 1.00 C ATOM 1133 O ASN A 72 -5.257 9.020 2.284 1.00 1.00 O ATOM 1134 CB ASN A 72 -5.612 6.196 3.817 1.00 1.00 C ATOM 1135 CG ASN A 72 -5.889 7.257 4.877 1.00 1.00 C ATOM 1136 OD1 ASN A 72 -5.292 8.414 4.798 1.00 1.00 O flip ATOM 1137 ND2 ASN A 72 -6.670 7.025 5.799 1.00 1.00 N flip ATOM 0 H ASN A 72 -5.696 4.741 1.839 1.00 1.00 H new ATOM 0 HA ASN A 72 -6.982 7.146 2.454 1.00 1.00 H new ATOM 0 HB2 ASN A 72 -6.192 5.298 4.030 1.00 1.00 H new ATOM 0 HB3 ASN A 72 -4.560 5.910 3.843 1.00 1.00 H new ATOM 0 HD21 ASN A 72 -7.135 6.119 5.858 1.00 1.00 H new ATOM 0 HD22 ASN A 72 -6.852 7.739 6.505 1.00 1.00 H new ATOM 1144 N THR A 73 -3.875 7.454 1.447 1.00 1.00 N ATOM 1145 CA THR A 73 -2.872 8.430 1.036 1.00 1.00 C ATOM 1146 C THR A 73 -3.392 9.277 -0.120 1.00 1.00 C ATOM 1147 O THR A 73 -3.429 10.504 -0.034 1.00 1.00 O ATOM 1148 CB THR A 73 -1.585 7.721 0.611 1.00 1.00 C ATOM 1149 OG1 THR A 73 -1.167 6.841 1.647 1.00 1.00 O ATOM 1150 CG2 THR A 73 -0.492 8.760 0.348 1.00 1.00 C ATOM 0 H THR A 73 -3.638 6.484 1.239 1.00 1.00 H new ATOM 0 HA THR A 73 -2.661 9.080 1.885 1.00 1.00 H new ATOM 0 HB THR A 73 -1.767 7.150 -0.299 1.00 1.00 H new ATOM 0 HG1 THR A 73 -1.773 6.072 1.687 1.00 1.00 H new ATOM 0 HG21 THR A 73 0.425 8.255 0.045 1.00 1.00 H new ATOM 0 HG22 THR A 73 -0.814 9.434 -0.446 1.00 1.00 H new ATOM 0 HG23 THR A 73 -0.308 9.332 1.257 1.00 1.00 H new ATOM 1158 N LEU A 74 -3.794 8.616 -1.201 1.00 1.00 N ATOM 1159 CA LEU A 74 -4.308 9.326 -2.363 1.00 1.00 C ATOM 1160 C LEU A 74 -5.597 10.060 -2.010 1.00 1.00 C ATOM 1161 O LEU A 74 -5.745 11.247 -2.298 1.00 1.00 O ATOM 1162 CB LEU A 74 -4.572 8.343 -3.511 1.00 1.00 C ATOM 1163 CG LEU A 74 -3.317 8.201 -4.383 1.00 1.00 C ATOM 1164 CD1 LEU A 74 -3.532 7.085 -5.405 1.00 1.00 C ATOM 1165 CD2 LEU A 74 -3.033 9.512 -5.126 1.00 1.00 C ATOM 0 H LEU A 74 -3.774 7.601 -1.295 1.00 1.00 H new ATOM 0 HA LEU A 74 -3.561 10.054 -2.680 1.00 1.00 H new ATOM 0 HB2 LEU A 74 -4.857 7.371 -3.109 1.00 1.00 H new ATOM 0 HB3 LEU A 74 -5.407 8.695 -4.117 1.00 1.00 H new ATOM 0 HG LEU A 74 -2.469 7.963 -3.741 1.00 1.00 H new ATOM 0 HD11 LEU A 74 -2.641 6.983 -6.025 1.00 1.00 H new ATOM 0 HD12 LEU A 74 -3.721 6.146 -4.884 1.00 1.00 H new ATOM 0 HD13 LEU A 74 -4.387 7.329 -6.035 1.00 1.00 H new ATOM 0 HD21 LEU A 74 -2.140 9.396 -5.740 1.00 1.00 H new ATOM 0 HD22 LEU A 74 -3.882 9.760 -5.763 1.00 1.00 H new ATOM 0 HD23 LEU A 74 -2.875 10.313 -4.404 1.00 1.00 H new ATOM 1177 N ASN A 75 -6.527 9.349 -1.381 1.00 1.00 N ATOM 1178 CA ASN A 75 -7.796 9.954 -0.990 1.00 1.00 C ATOM 1179 C ASN A 75 -7.555 11.320 -0.361 1.00 1.00 C ATOM 1180 O ASN A 75 -8.439 12.177 -0.348 1.00 1.00 O ATOM 1181 CB ASN A 75 -8.522 9.051 0.008 1.00 1.00 C ATOM 1182 CG ASN A 75 -8.972 7.767 -0.677 1.00 1.00 C ATOM 1183 OD1 ASN A 75 -9.334 7.782 -1.854 1.00 1.00 O ATOM 1184 ND2 ASN A 75 -8.974 6.649 -0.005 1.00 1.00 N ATOM 0 H ASN A 75 -6.429 8.364 -1.133 1.00 1.00 H new ATOM 0 HA ASN A 75 -8.413 10.075 -1.880 1.00 1.00 H new ATOM 0 HB2 ASN A 75 -7.862 8.815 0.843 1.00 1.00 H new ATOM 0 HB3 ASN A 75 -9.385 9.573 0.421 1.00 1.00 H new ATOM 0 HD21 ASN A 75 -9.276 5.784 -0.454 1.00 1.00 H new ATOM 0 HD22 ASN A 75 -8.674 6.639 0.970 1.00 1.00 H new ATOM 1191 N LYS A 76 -6.347 11.515 0.159 1.00 1.00 N ATOM 1192 CA LYS A 76 -5.987 12.780 0.790 1.00 1.00 C ATOM 1193 C LYS A 76 -5.321 13.710 -0.220 1.00 1.00 C ATOM 1194 O LYS A 76 -5.404 14.932 -0.100 1.00 1.00 O ATOM 1195 CB LYS A 76 -5.033 12.521 1.956 1.00 1.00 C ATOM 1196 CG LYS A 76 -5.327 13.506 3.088 1.00 1.00 C ATOM 1197 CD LYS A 76 -4.236 13.398 4.157 1.00 1.00 C ATOM 1198 CE LYS A 76 -4.178 11.965 4.685 1.00 1.00 C ATOM 1199 NZ LYS A 76 -3.260 11.156 3.835 1.00 1.00 N ATOM 0 H LYS A 76 -5.604 10.816 0.156 1.00 1.00 H new ATOM 0 HA LYS A 76 -6.895 13.257 1.160 1.00 1.00 H new ATOM 0 HB2 LYS A 76 -5.148 11.497 2.312 1.00 1.00 H new ATOM 0 HB3 LYS A 76 -4.000 12.630 1.625 1.00 1.00 H new ATOM 0 HG2 LYS A 76 -5.369 14.523 2.698 1.00 1.00 H new ATOM 0 HG3 LYS A 76 -6.302 13.292 3.526 1.00 1.00 H new ATOM 0 HD2 LYS A 76 -3.271 13.681 3.736 1.00 1.00 H new ATOM 0 HD3 LYS A 76 -4.443 14.089 4.974 1.00 1.00 H new ATOM 0 HE2 LYS A 76 -3.831 11.961 5.718 1.00 1.00 H new ATOM 0 HE3 LYS A 76 -5.175 11.525 4.682 1.00 1.00 H new ATOM 0 HZ1 LYS A 76 -3.804 10.425 3.334 1.00 1.00 H new ATOM 0 HZ2 LYS A 76 -2.793 11.775 3.142 1.00 1.00 H new ATOM 0 HZ3 LYS A 76 -2.541 10.703 4.434 1.00 1.00 H new ATOM 1213 N CYS A 77 -4.662 13.120 -1.211 1.00 1.00 N ATOM 1214 CA CYS A 77 -3.982 13.903 -2.237 1.00 1.00 C ATOM 1215 C CYS A 77 -4.882 14.091 -3.453 1.00 1.00 C ATOM 1216 O CYS A 77 -4.559 14.852 -4.365 1.00 1.00 O ATOM 1217 CB CYS A 77 -2.691 13.199 -2.660 1.00 1.00 C ATOM 1218 SG CYS A 77 -1.273 14.246 -2.255 1.00 1.00 S ATOM 0 H CYS A 77 -4.584 12.109 -1.326 1.00 1.00 H new ATOM 0 HA CYS A 77 -3.744 14.882 -1.821 1.00 1.00 H new ATOM 0 HB2 CYS A 77 -2.605 12.239 -2.152 1.00 1.00 H new ATOM 0 HB3 CYS A 77 -2.710 12.993 -3.730 1.00 1.00 H new ATOM 0 HG CYS A 77 -0.176 13.647 -2.612 1.00 1.00 H new ATOM 1224 N ALA A 78 -6.015 13.394 -3.460 1.00 1.00 N ATOM 1225 CA ALA A 78 -6.954 13.493 -4.571 1.00 1.00 C ATOM 1226 C ALA A 78 -7.619 14.865 -4.587 1.00 1.00 C ATOM 1227 O ALA A 78 -7.777 15.477 -5.644 1.00 1.00 O ATOM 1228 CB ALA A 78 -8.023 12.407 -4.448 1.00 1.00 C ATOM 0 H ALA A 78 -6.303 12.760 -2.715 1.00 1.00 H new ATOM 0 HA ALA A 78 -6.404 13.357 -5.502 1.00 1.00 H new ATOM 0 HB1 ALA A 78 -8.721 12.487 -5.281 1.00 1.00 H new ATOM 0 HB2 ALA A 78 -7.549 11.426 -4.465 1.00 1.00 H new ATOM 0 HB3 ALA A 78 -8.563 12.532 -3.509 1.00 1.00 H new