USER MOD reduce.3.24.130724 H: found=0, std=0, add=511, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 512 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 28 THR OG1 : rot 35:sc= 0.216 USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 TYR OH : rot 84:sc= 0.113 USER MOD Single : A 40 THR OG1 : rot 180:sc= 0 USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 SER OG : rot 7:sc= 0.929 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 GLN : amide:sc= -0.12 K(o=-0.12,f=-1.5!) USER MOD Single : A 56 ASN : amide:sc= -0.128 K(o=-0.13,f=-2.5) USER MOD Single : A 57 ASN :FLIP amide:sc= 0.0674 F(o=-1.4,f=0.067) USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 67 SER OG : rot -65:sc= -0.0209 USER MOD Single : A 70 THR OG1 : rot -160:sc= -1.01 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 75 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 79 ASN : amide:sc= -0.0156 X(o=-0.016,f=-0.016) USER MOD Single : A 80 TYR OH : rot 180:sc= 0 USER MOD Single : A 86 SER OG : rot 59:sc= 0.0597 USER MOD Single : A 88 GLN : amide:sc=-0.00301 X(o=-0.003,f=0) USER MOD Single : A 93 TYR OH : rot -82:sc= 0.00392! USER MOD ----------------------------------------------------------------- ATOM 324 N THR A 28 7.872 3.110 -0.961 1.00 0.00 N ATOM 325 CA THR A 28 7.126 2.987 -2.207 1.00 0.00 C ATOM 326 C THR A 28 5.630 3.160 -1.972 1.00 0.00 C ATOM 327 O THR A 28 5.079 2.628 -1.008 1.00 0.00 O ATOM 328 CB THR A 28 7.375 1.624 -2.879 1.00 0.00 C ATOM 329 OG1 THR A 28 8.781 1.355 -2.936 1.00 0.00 O ATOM 330 CG2 THR A 28 6.792 1.599 -4.284 1.00 0.00 C ATOM 0 HA THR A 28 7.481 3.779 -2.867 1.00 0.00 H new ATOM 0 HB THR A 28 6.882 0.855 -2.284 1.00 0.00 H new ATOM 0 HG1 THR A 28 9.215 1.713 -2.134 1.00 0.00 H new ATOM 0 HG21 THR A 28 6.980 0.626 -4.739 1.00 0.00 H new ATOM 0 HG22 THR A 28 5.717 1.775 -4.235 1.00 0.00 H new ATOM 0 HG23 THR A 28 7.260 2.378 -4.886 1.00 0.00 H new ATOM 338 N ILE A 29 4.979 3.905 -2.859 1.00 0.00 N ATOM 339 CA ILE A 29 3.545 4.145 -2.748 1.00 0.00 C ATOM 340 C ILE A 29 2.747 2.951 -3.260 1.00 0.00 C ATOM 341 O ILE A 29 3.109 2.331 -4.261 1.00 0.00 O ATOM 342 CB ILE A 29 3.123 5.403 -3.529 1.00 0.00 C ATOM 343 CG1 ILE A 29 3.512 6.664 -2.754 1.00 0.00 C ATOM 344 CG2 ILE A 29 1.626 5.382 -3.799 1.00 0.00 C ATOM 345 CD1 ILE A 29 2.878 6.752 -1.384 1.00 0.00 C ATOM 0 H ILE A 29 5.421 4.353 -3.662 1.00 0.00 H new ATOM 0 HA ILE A 29 3.331 4.295 -1.690 1.00 0.00 H new ATOM 0 HB ILE A 29 3.645 5.411 -4.486 1.00 0.00 H new ATOM 0 HG12 ILE A 29 4.596 6.694 -2.646 1.00 0.00 H new ATOM 0 HG13 ILE A 29 3.225 7.540 -3.335 1.00 0.00 H new ATOM 0 HG21 ILE A 29 1.343 6.278 -4.352 1.00 0.00 H new ATOM 0 HG22 ILE A 29 1.375 4.499 -4.386 1.00 0.00 H new ATOM 0 HG23 ILE A 29 1.086 5.354 -2.853 1.00 0.00 H new ATOM 0 HD11 ILE A 29 3.199 7.671 -0.893 1.00 0.00 H new ATOM 0 HD12 ILE A 29 1.793 6.754 -1.485 1.00 0.00 H new ATOM 0 HD13 ILE A 29 3.185 5.895 -0.785 1.00 0.00 H new ATOM 357 N PHE A 30 1.657 2.634 -2.569 1.00 0.00 N ATOM 358 CA PHE A 30 0.806 1.515 -2.954 1.00 0.00 C ATOM 359 C PHE A 30 -0.667 1.853 -2.742 1.00 0.00 C ATOM 360 O PHE A 30 -1.024 2.554 -1.795 1.00 0.00 O ATOM 361 CB PHE A 30 1.174 0.266 -2.150 1.00 0.00 C ATOM 362 CG PHE A 30 2.300 -0.525 -2.754 1.00 0.00 C ATOM 363 CD1 PHE A 30 3.600 -0.047 -2.712 1.00 0.00 C ATOM 364 CD2 PHE A 30 2.058 -1.746 -3.362 1.00 0.00 C ATOM 365 CE1 PHE A 30 4.637 -0.772 -3.267 1.00 0.00 C ATOM 366 CE2 PHE A 30 3.092 -2.476 -3.919 1.00 0.00 C ATOM 367 CZ PHE A 30 4.383 -1.989 -3.870 1.00 0.00 C ATOM 0 H PHE A 30 1.342 3.137 -1.739 1.00 0.00 H new ATOM 0 HA PHE A 30 0.967 1.318 -4.014 1.00 0.00 H new ATOM 0 HB2 PHE A 30 1.451 0.563 -1.138 1.00 0.00 H new ATOM 0 HB3 PHE A 30 0.296 -0.374 -2.065 1.00 0.00 H new ATOM 0 HD1 PHE A 30 3.805 0.903 -2.240 1.00 0.00 H new ATOM 0 HD2 PHE A 30 1.050 -2.132 -3.401 1.00 0.00 H new ATOM 0 HE1 PHE A 30 5.646 -0.388 -3.230 1.00 0.00 H new ATOM 0 HE2 PHE A 30 2.890 -3.426 -4.392 1.00 0.00 H new ATOM 0 HZ PHE A 30 5.193 -2.558 -4.302 1.00 0.00 H new ATOM 377 N VAL A 31 -1.518 1.351 -3.631 1.00 0.00 N ATOM 378 CA VAL A 31 -2.952 1.599 -3.542 1.00 0.00 C ATOM 379 C VAL A 31 -3.730 0.292 -3.437 1.00 0.00 C ATOM 380 O VAL A 31 -3.334 -0.725 -4.006 1.00 0.00 O ATOM 381 CB VAL A 31 -3.461 2.390 -4.761 1.00 0.00 C ATOM 382 CG1 VAL A 31 -4.952 2.165 -4.959 1.00 0.00 C ATOM 383 CG2 VAL A 31 -3.154 3.872 -4.600 1.00 0.00 C ATOM 0 H VAL A 31 -1.239 0.770 -4.421 1.00 0.00 H new ATOM 0 HA VAL A 31 -3.116 2.190 -2.641 1.00 0.00 H new ATOM 0 HB VAL A 31 -2.942 2.029 -5.649 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -5.294 2.732 -5.825 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -5.141 1.104 -5.122 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -5.491 2.498 -4.072 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -3.521 4.416 -5.470 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -3.644 4.250 -3.703 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -2.077 4.013 -4.511 1.00 0.00 H new ATOM 393 N ALA A 32 -4.840 0.327 -2.707 1.00 0.00 N ATOM 394 CA ALA A 32 -5.675 -0.854 -2.530 1.00 0.00 C ATOM 395 C ALA A 32 -6.753 -0.930 -3.606 1.00 0.00 C ATOM 396 O ALA A 32 -7.652 -0.090 -3.660 1.00 0.00 O ATOM 397 CB ALA A 32 -6.308 -0.849 -1.146 1.00 0.00 C ATOM 0 H ALA A 32 -5.182 1.161 -2.229 1.00 0.00 H new ATOM 0 HA ALA A 32 -5.041 -1.735 -2.625 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -6.929 -1.737 -1.027 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -5.525 -0.850 -0.388 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -6.924 0.043 -1.031 1.00 0.00 H new ATOM 403 N LEU A 33 -6.656 -1.941 -4.462 1.00 0.00 N ATOM 404 CA LEU A 33 -7.623 -2.127 -5.539 1.00 0.00 C ATOM 405 C LEU A 33 -8.900 -2.777 -5.018 1.00 0.00 C ATOM 406 O LEU A 33 -9.999 -2.467 -5.478 1.00 0.00 O ATOM 407 CB LEU A 33 -7.018 -2.986 -6.651 1.00 0.00 C ATOM 408 CG LEU A 33 -5.559 -2.695 -7.005 1.00 0.00 C ATOM 409 CD1 LEU A 33 -5.034 -3.725 -7.993 1.00 0.00 C ATOM 410 CD2 LEU A 33 -5.416 -1.290 -7.571 1.00 0.00 C ATOM 0 H LEU A 33 -5.918 -2.644 -4.432 1.00 0.00 H new ATOM 0 HA LEU A 33 -7.875 -1.146 -5.941 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -7.098 -4.033 -6.358 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -7.621 -2.859 -7.550 1.00 0.00 H new ATOM 0 HG LEU A 33 -4.965 -2.759 -6.093 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -3.994 -3.502 -8.233 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -5.099 -4.719 -7.551 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -5.632 -3.693 -8.904 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -4.371 -1.101 -7.817 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -6.023 -1.197 -8.471 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -5.751 -0.564 -6.831 1.00 0.00 H new ATOM 422 N TYR A 34 -8.748 -3.677 -4.053 1.00 0.00 N ATOM 423 CA TYR A 34 -9.890 -4.371 -3.468 1.00 0.00 C ATOM 424 C TYR A 34 -10.036 -4.029 -1.989 1.00 0.00 C ATOM 425 O TYR A 34 -9.045 -3.862 -1.278 1.00 0.00 O ATOM 426 CB TYR A 34 -9.738 -5.883 -3.641 1.00 0.00 C ATOM 427 CG TYR A 34 -9.005 -6.278 -4.904 1.00 0.00 C ATOM 428 CD1 TYR A 34 -9.655 -6.292 -6.132 1.00 0.00 C ATOM 429 CD2 TYR A 34 -7.663 -6.636 -4.869 1.00 0.00 C ATOM 430 CE1 TYR A 34 -8.990 -6.653 -7.288 1.00 0.00 C ATOM 431 CE2 TYR A 34 -6.990 -6.997 -6.020 1.00 0.00 C ATOM 432 CZ TYR A 34 -7.658 -7.004 -7.227 1.00 0.00 C ATOM 433 OH TYR A 34 -6.991 -7.363 -8.375 1.00 0.00 O ATOM 0 H TYR A 34 -7.846 -3.943 -3.659 1.00 0.00 H new ATOM 0 HA TYR A 34 -10.789 -4.041 -3.989 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -9.205 -6.287 -2.780 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -10.727 -6.341 -3.647 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -10.698 -6.016 -6.184 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -7.137 -6.632 -3.926 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -9.511 -6.660 -8.234 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -5.947 -7.272 -5.975 1.00 0.00 H new ATOM 0 HH TYR A 34 -6.060 -7.580 -8.158 1.00 0.00 H new ATOM 443 N ASP A 35 -11.279 -3.928 -1.532 1.00 0.00 N ATOM 444 CA ASP A 35 -11.557 -3.608 -0.136 1.00 0.00 C ATOM 445 C ASP A 35 -11.270 -4.806 0.764 1.00 0.00 C ATOM 446 O ASP A 35 -11.718 -5.920 0.492 1.00 0.00 O ATOM 447 CB ASP A 35 -13.013 -3.168 0.028 1.00 0.00 C ATOM 448 CG ASP A 35 -13.993 -4.276 -0.302 1.00 0.00 C ATOM 449 OD1 ASP A 35 -13.841 -4.903 -1.371 1.00 0.00 O ATOM 450 OD2 ASP A 35 -14.913 -4.516 0.507 1.00 0.00 O ATOM 0 H ASP A 35 -12.110 -4.063 -2.107 1.00 0.00 H new ATOM 0 HA ASP A 35 -10.902 -2.789 0.161 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -13.176 -2.836 1.053 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -13.206 -2.312 -0.618 1.00 0.00 H new ATOM 455 N TYR A 36 -10.520 -4.569 1.834 1.00 0.00 N ATOM 456 CA TYR A 36 -10.170 -5.629 2.772 1.00 0.00 C ATOM 457 C TYR A 36 -10.503 -5.221 4.204 1.00 0.00 C ATOM 458 O TYR A 36 -10.802 -4.058 4.476 1.00 0.00 O ATOM 459 CB TYR A 36 -8.683 -5.968 2.659 1.00 0.00 C ATOM 460 CG TYR A 36 -8.193 -6.907 3.738 1.00 0.00 C ATOM 461 CD1 TYR A 36 -8.426 -8.274 3.655 1.00 0.00 C ATOM 462 CD2 TYR A 36 -7.497 -6.427 4.841 1.00 0.00 C ATOM 463 CE1 TYR A 36 -7.980 -9.136 4.638 1.00 0.00 C ATOM 464 CE2 TYR A 36 -7.047 -7.282 5.829 1.00 0.00 C ATOM 465 CZ TYR A 36 -7.291 -8.635 5.723 1.00 0.00 C ATOM 466 OH TYR A 36 -6.845 -9.489 6.705 1.00 0.00 O ATOM 0 H TYR A 36 -10.143 -3.652 2.074 1.00 0.00 H new ATOM 0 HA TYR A 36 -10.757 -6.512 2.519 1.00 0.00 H new ATOM 0 HB2 TYR A 36 -8.494 -6.418 1.684 1.00 0.00 H new ATOM 0 HB3 TYR A 36 -8.104 -5.045 2.702 1.00 0.00 H new ATOM 0 HD1 TYR A 36 -8.965 -8.670 2.807 1.00 0.00 H new ATOM 0 HD2 TYR A 36 -7.305 -5.368 4.927 1.00 0.00 H new ATOM 0 HE1 TYR A 36 -8.170 -10.196 4.558 1.00 0.00 H new ATOM 0 HE2 TYR A 36 -6.507 -6.893 6.680 1.00 0.00 H new ATOM 0 HH TYR A 36 -5.988 -9.880 6.434 1.00 0.00 H new ATOM 476 N GLU A 37 -10.449 -6.187 5.116 1.00 0.00 N ATOM 477 CA GLU A 37 -10.745 -5.929 6.520 1.00 0.00 C ATOM 478 C GLU A 37 -9.725 -6.614 7.426 1.00 0.00 C ATOM 479 O GLU A 37 -9.580 -7.836 7.401 1.00 0.00 O ATOM 480 CB GLU A 37 -12.155 -6.412 6.864 1.00 0.00 C ATOM 481 CG GLU A 37 -12.665 -5.899 8.201 1.00 0.00 C ATOM 482 CD GLU A 37 -13.715 -6.807 8.812 1.00 0.00 C ATOM 483 OE1 GLU A 37 -14.890 -6.715 8.399 1.00 0.00 O ATOM 484 OE2 GLU A 37 -13.362 -7.608 9.702 1.00 0.00 O ATOM 0 H GLU A 37 -10.203 -7.155 4.907 1.00 0.00 H new ATOM 0 HA GLU A 37 -10.687 -4.853 6.685 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -12.840 -6.096 6.078 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -12.164 -7.502 6.875 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -11.828 -5.802 8.892 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -13.085 -4.902 8.067 1.00 0.00 H new ATOM 491 N ALA A 38 -9.021 -5.818 8.223 1.00 0.00 N ATOM 492 CA ALA A 38 -8.017 -6.346 9.137 1.00 0.00 C ATOM 493 C ALA A 38 -8.603 -7.437 10.026 1.00 0.00 C ATOM 494 O ALA A 38 -9.398 -7.159 10.924 1.00 0.00 O ATOM 495 CB ALA A 38 -7.435 -5.226 9.987 1.00 0.00 C ATOM 0 H ALA A 38 -9.128 -4.804 8.254 1.00 0.00 H new ATOM 0 HA ALA A 38 -7.218 -6.789 8.542 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -6.686 -5.635 10.665 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -6.970 -4.482 9.340 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -8.231 -4.757 10.566 1.00 0.00 H new ATOM 501 N ARG A 39 -8.207 -8.680 9.769 1.00 0.00 N ATOM 502 CA ARG A 39 -8.696 -9.813 10.546 1.00 0.00 C ATOM 503 C ARG A 39 -8.268 -9.697 12.006 1.00 0.00 C ATOM 504 O ARG A 39 -9.079 -9.867 12.917 1.00 0.00 O ATOM 505 CB ARG A 39 -8.177 -11.125 9.954 1.00 0.00 C ATOM 506 CG ARG A 39 -8.987 -11.620 8.767 1.00 0.00 C ATOM 507 CD ARG A 39 -8.205 -12.630 7.941 1.00 0.00 C ATOM 508 NE ARG A 39 -9.085 -13.549 7.224 1.00 0.00 N ATOM 509 CZ ARG A 39 -9.600 -14.647 7.765 1.00 0.00 C ATOM 510 NH1 ARG A 39 -9.325 -14.962 9.023 1.00 0.00 N ATOM 511 NH2 ARG A 39 -10.393 -15.433 7.048 1.00 0.00 N ATOM 0 H ARG A 39 -7.550 -8.928 9.029 1.00 0.00 H new ATOM 0 HA ARG A 39 -9.785 -9.808 10.504 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -7.141 -10.989 9.645 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -8.180 -11.890 10.730 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -9.912 -12.076 9.121 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -9.268 -10.775 8.139 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -7.573 -12.102 7.227 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -7.543 -13.198 8.595 1.00 0.00 H new ATOM 0 HE ARG A 39 -9.317 -13.336 6.254 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -8.716 -14.360 9.578 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -9.722 -15.806 9.436 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -10.608 -15.194 6.080 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -10.788 -16.276 7.465 1.00 0.00 H new ATOM 525 N THR A 40 -6.989 -9.407 12.221 1.00 0.00 N ATOM 526 CA THR A 40 -6.453 -9.270 13.569 1.00 0.00 C ATOM 527 C THR A 40 -5.719 -7.944 13.737 1.00 0.00 C ATOM 528 O THR A 40 -5.285 -7.334 12.759 1.00 0.00 O ATOM 529 CB THR A 40 -5.490 -10.423 13.911 1.00 0.00 C ATOM 530 OG1 THR A 40 -4.267 -10.273 13.182 1.00 0.00 O ATOM 531 CG2 THR A 40 -6.120 -11.768 13.584 1.00 0.00 C ATOM 0 H THR A 40 -6.305 -9.262 11.478 1.00 0.00 H new ATOM 0 HA THR A 40 -7.303 -9.301 14.251 1.00 0.00 H new ATOM 0 HB THR A 40 -5.281 -10.388 14.980 1.00 0.00 H new ATOM 0 HG1 THR A 40 -3.660 -11.009 13.406 1.00 0.00 H new ATOM 0 HG21 THR A 40 -5.422 -12.567 13.834 1.00 0.00 H new ATOM 0 HG22 THR A 40 -7.035 -11.892 14.163 1.00 0.00 H new ATOM 0 HG23 THR A 40 -6.355 -11.811 12.521 1.00 0.00 H new ATOM 539 N THR A 41 -5.583 -7.502 14.984 1.00 0.00 N ATOM 540 CA THR A 41 -4.902 -6.248 15.280 1.00 0.00 C ATOM 541 C THR A 41 -3.592 -6.138 14.508 1.00 0.00 C ATOM 542 O THR A 41 -3.146 -5.039 14.179 1.00 0.00 O ATOM 543 CB THR A 41 -4.610 -6.109 16.786 1.00 0.00 C ATOM 544 OG1 THR A 41 -3.999 -4.841 17.051 1.00 0.00 O ATOM 545 CG2 THR A 41 -3.699 -7.228 17.266 1.00 0.00 C ATOM 0 H THR A 41 -5.936 -7.994 15.805 1.00 0.00 H new ATOM 0 HA THR A 41 -5.571 -5.445 14.971 1.00 0.00 H new ATOM 0 HB THR A 41 -5.555 -6.176 17.325 1.00 0.00 H new ATOM 0 HG1 THR A 41 -3.818 -4.759 18.011 1.00 0.00 H new ATOM 0 HG21 THR A 41 -3.507 -7.109 18.332 1.00 0.00 H new ATOM 0 HG22 THR A 41 -4.180 -8.190 17.089 1.00 0.00 H new ATOM 0 HG23 THR A 41 -2.756 -7.189 16.721 1.00 0.00 H new ATOM 553 N GLU A 42 -2.981 -7.283 14.221 1.00 0.00 N ATOM 554 CA GLU A 42 -1.722 -7.314 13.487 1.00 0.00 C ATOM 555 C GLU A 42 -1.930 -6.903 12.032 1.00 0.00 C ATOM 556 O GLU A 42 -1.085 -6.232 11.439 1.00 0.00 O ATOM 557 CB GLU A 42 -1.102 -8.711 13.551 1.00 0.00 C ATOM 558 CG GLU A 42 -0.651 -9.114 14.945 1.00 0.00 C ATOM 559 CD GLU A 42 0.731 -8.593 15.284 1.00 0.00 C ATOM 560 OE1 GLU A 42 1.723 -9.200 14.830 1.00 0.00 O ATOM 561 OE2 GLU A 42 0.821 -7.576 16.004 1.00 0.00 O ATOM 0 H GLU A 42 -3.338 -8.201 14.486 1.00 0.00 H new ATOM 0 HA GLU A 42 -1.042 -6.602 13.954 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -1.828 -9.439 13.189 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -0.247 -8.751 12.876 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -1.366 -8.739 15.677 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -0.655 -10.201 15.024 1.00 0.00 H new ATOM 568 N ASP A 43 -3.059 -7.312 11.464 1.00 0.00 N ATOM 569 CA ASP A 43 -3.379 -6.988 10.079 1.00 0.00 C ATOM 570 C ASP A 43 -3.798 -5.527 9.946 1.00 0.00 C ATOM 571 O ASP A 43 -4.422 -4.965 10.847 1.00 0.00 O ATOM 572 CB ASP A 43 -4.493 -7.900 9.564 1.00 0.00 C ATOM 573 CG ASP A 43 -3.970 -9.237 9.080 1.00 0.00 C ATOM 574 OD1 ASP A 43 -2.890 -9.260 8.452 1.00 0.00 O ATOM 575 OD2 ASP A 43 -4.638 -10.262 9.329 1.00 0.00 O ATOM 0 H ASP A 43 -3.768 -7.869 11.941 1.00 0.00 H new ATOM 0 HA ASP A 43 -2.484 -7.147 9.478 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -5.221 -8.064 10.359 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -5.018 -7.402 8.749 1.00 0.00 H new ATOM 580 N LEU A 44 -3.449 -4.917 8.819 1.00 0.00 N ATOM 581 CA LEU A 44 -3.788 -3.520 8.568 1.00 0.00 C ATOM 582 C LEU A 44 -5.127 -3.406 7.847 1.00 0.00 C ATOM 583 O LEU A 44 -5.361 -4.075 6.841 1.00 0.00 O ATOM 584 CB LEU A 44 -2.691 -2.850 7.739 1.00 0.00 C ATOM 585 CG LEU A 44 -2.493 -1.352 7.974 1.00 0.00 C ATOM 586 CD1 LEU A 44 -1.908 -0.691 6.736 1.00 0.00 C ATOM 587 CD2 LEU A 44 -3.809 -0.694 8.361 1.00 0.00 C ATOM 0 H LEU A 44 -2.931 -5.367 8.064 1.00 0.00 H new ATOM 0 HA LEU A 44 -3.870 -3.013 9.529 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -1.748 -3.357 7.943 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -2.915 -3.005 6.684 1.00 0.00 H new ATOM 0 HG LEU A 44 -1.790 -1.222 8.797 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -1.774 0.375 6.921 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -0.944 -1.143 6.503 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -2.586 -0.830 5.894 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -3.649 0.372 8.524 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -4.535 -0.833 7.560 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -4.188 -1.148 9.277 1.00 0.00 H new ATOM 599 N SER A 45 -6.002 -2.551 8.368 1.00 0.00 N ATOM 600 CA SER A 45 -7.319 -2.350 7.775 1.00 0.00 C ATOM 601 C SER A 45 -7.265 -1.290 6.679 1.00 0.00 C ATOM 602 O SER A 45 -7.018 -0.114 6.948 1.00 0.00 O ATOM 603 CB SER A 45 -8.328 -1.938 8.850 1.00 0.00 C ATOM 604 OG SER A 45 -8.102 -0.606 9.278 1.00 0.00 O ATOM 0 H SER A 45 -5.823 -1.987 9.199 1.00 0.00 H new ATOM 0 HA SER A 45 -7.638 -3.292 7.330 1.00 0.00 H new ATOM 0 HB2 SER A 45 -9.341 -2.030 8.457 1.00 0.00 H new ATOM 0 HB3 SER A 45 -8.254 -2.614 9.701 1.00 0.00 H new ATOM 0 HG SER A 45 -7.414 -0.194 8.715 1.00 0.00 H new ATOM 610 N PHE A 46 -7.499 -1.715 5.442 1.00 0.00 N ATOM 611 CA PHE A 46 -7.476 -0.804 4.304 1.00 0.00 C ATOM 612 C PHE A 46 -8.737 -0.958 3.458 1.00 0.00 C ATOM 613 O PHE A 46 -9.482 -1.928 3.604 1.00 0.00 O ATOM 614 CB PHE A 46 -6.237 -1.059 3.443 1.00 0.00 C ATOM 615 CG PHE A 46 -6.085 -2.493 3.022 1.00 0.00 C ATOM 616 CD1 PHE A 46 -5.534 -3.427 3.883 1.00 0.00 C ATOM 617 CD2 PHE A 46 -6.495 -2.906 1.764 1.00 0.00 C ATOM 618 CE1 PHE A 46 -5.392 -4.747 3.496 1.00 0.00 C ATOM 619 CE2 PHE A 46 -6.357 -4.224 1.373 1.00 0.00 C ATOM 620 CZ PHE A 46 -5.806 -5.146 2.240 1.00 0.00 C ATOM 0 H PHE A 46 -7.707 -2.684 5.202 1.00 0.00 H new ATOM 0 HA PHE A 46 -7.439 0.215 4.688 1.00 0.00 H new ATOM 0 HB2 PHE A 46 -6.287 -0.431 2.554 1.00 0.00 H new ATOM 0 HB3 PHE A 46 -5.350 -0.756 3.998 1.00 0.00 H new ATOM 0 HD1 PHE A 46 -5.212 -3.121 4.867 1.00 0.00 H new ATOM 0 HD2 PHE A 46 -6.927 -2.189 1.082 1.00 0.00 H new ATOM 0 HE1 PHE A 46 -4.958 -5.466 4.175 1.00 0.00 H new ATOM 0 HE2 PHE A 46 -6.680 -4.533 0.390 1.00 0.00 H new ATOM 0 HZ PHE A 46 -5.699 -6.177 1.937 1.00 0.00 H new ATOM 630 N LYS A 47 -8.971 0.006 2.574 1.00 0.00 N ATOM 631 CA LYS A 47 -10.140 -0.021 1.703 1.00 0.00 C ATOM 632 C LYS A 47 -9.749 0.267 0.257 1.00 0.00 C ATOM 633 O LYS A 47 -8.674 0.804 -0.011 1.00 0.00 O ATOM 634 CB LYS A 47 -11.176 1.001 2.176 1.00 0.00 C ATOM 635 CG LYS A 47 -11.702 0.732 3.575 1.00 0.00 C ATOM 636 CD LYS A 47 -12.711 -0.404 3.583 1.00 0.00 C ATOM 637 CE LYS A 47 -12.799 -1.062 4.952 1.00 0.00 C ATOM 638 NZ LYS A 47 -13.699 -0.312 5.871 1.00 0.00 N ATOM 0 H LYS A 47 -8.366 0.816 2.442 1.00 0.00 H new ATOM 0 HA LYS A 47 -10.575 -1.019 1.750 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -10.731 1.996 2.149 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -12.013 1.007 1.477 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -10.871 0.486 4.236 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -12.167 1.635 3.970 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -13.692 -0.023 3.298 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -12.429 -1.148 2.838 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -13.163 -2.084 4.841 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -11.803 -1.124 5.390 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -13.732 -0.792 6.793 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -13.338 0.655 5.997 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -14.656 -0.275 5.466 1.00 0.00 H new ATOM 652 N LYS A 48 -10.628 -0.092 -0.672 1.00 0.00 N ATOM 653 CA LYS A 48 -10.377 0.130 -2.090 1.00 0.00 C ATOM 654 C LYS A 48 -10.229 1.618 -2.390 1.00 0.00 C ATOM 655 O LYS A 48 -11.190 2.380 -2.288 1.00 0.00 O ATOM 656 CB LYS A 48 -11.513 -0.460 -2.929 1.00 0.00 C ATOM 657 CG LYS A 48 -11.463 -0.054 -4.392 1.00 0.00 C ATOM 658 CD LYS A 48 -12.345 -0.946 -5.249 1.00 0.00 C ATOM 659 CE LYS A 48 -12.032 -0.784 -6.728 1.00 0.00 C ATOM 660 NZ LYS A 48 -12.693 -1.833 -7.554 1.00 0.00 N ATOM 0 H LYS A 48 -11.522 -0.539 -0.467 1.00 0.00 H new ATOM 0 HA LYS A 48 -9.444 -0.370 -2.351 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -11.477 -1.547 -2.861 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -12.467 -0.146 -2.506 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -11.784 0.983 -4.494 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -10.435 -0.106 -4.750 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -12.203 -1.987 -4.958 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -13.393 -0.704 -5.069 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -12.359 0.201 -7.062 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -10.953 -0.830 -6.878 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -12.455 -1.687 -8.556 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -12.362 -2.772 -7.252 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -13.724 -1.773 -7.431 1.00 0.00 H new ATOM 674 N GLY A 49 -9.019 2.026 -2.762 1.00 0.00 N ATOM 675 CA GLY A 49 -8.769 3.421 -3.072 1.00 0.00 C ATOM 676 C GLY A 49 -8.008 4.132 -1.971 1.00 0.00 C ATOM 677 O GLY A 49 -7.960 5.362 -1.936 1.00 0.00 O ATOM 0 H GLY A 49 -8.208 1.415 -2.854 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -8.204 3.488 -4.002 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -9.719 3.929 -3.239 1.00 0.00 H new ATOM 681 N GLU A 50 -7.415 3.358 -1.068 1.00 0.00 N ATOM 682 CA GLU A 50 -6.656 3.923 0.041 1.00 0.00 C ATOM 683 C GLU A 50 -5.161 3.673 -0.139 1.00 0.00 C ATOM 684 O GLU A 50 -4.745 2.572 -0.499 1.00 0.00 O ATOM 685 CB GLU A 50 -7.128 3.325 1.368 1.00 0.00 C ATOM 686 CG GLU A 50 -6.938 4.254 2.556 1.00 0.00 C ATOM 687 CD GLU A 50 -7.438 3.651 3.854 1.00 0.00 C ATOM 688 OE1 GLU A 50 -8.585 3.158 3.877 1.00 0.00 O ATOM 689 OE2 GLU A 50 -6.681 3.671 4.847 1.00 0.00 O ATOM 0 H GLU A 50 -7.446 2.339 -1.083 1.00 0.00 H new ATOM 0 HA GLU A 50 -6.828 4.999 0.054 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -8.184 3.066 1.285 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -6.586 2.398 1.552 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -5.880 4.497 2.657 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -7.464 5.190 2.368 1.00 0.00 H new ATOM 696 N ARG A 51 -4.360 4.703 0.113 1.00 0.00 N ATOM 697 CA ARG A 51 -2.912 4.596 -0.023 1.00 0.00 C ATOM 698 C ARG A 51 -2.280 4.100 1.274 1.00 0.00 C ATOM 699 O ARG A 51 -2.891 4.167 2.341 1.00 0.00 O ATOM 700 CB ARG A 51 -2.314 5.950 -0.410 1.00 0.00 C ATOM 701 CG ARG A 51 -2.620 6.364 -1.839 1.00 0.00 C ATOM 702 CD ARG A 51 -1.515 7.235 -2.416 1.00 0.00 C ATOM 703 NE ARG A 51 -1.829 7.697 -3.765 1.00 0.00 N ATOM 704 CZ ARG A 51 -0.973 8.364 -4.532 1.00 0.00 C ATOM 705 NH1 ARG A 51 0.243 8.645 -4.084 1.00 0.00 N ATOM 706 NH2 ARG A 51 -1.333 8.750 -5.749 1.00 0.00 N ATOM 0 H ARG A 51 -4.689 5.621 0.412 1.00 0.00 H new ATOM 0 HA ARG A 51 -2.698 3.874 -0.811 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -2.694 6.713 0.270 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -1.233 5.912 -0.275 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -2.745 5.475 -2.458 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -3.565 6.907 -1.867 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -1.356 8.096 -1.766 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -0.582 6.672 -2.434 1.00 0.00 H new ATOM 0 HE ARG A 51 -2.756 7.497 -4.139 1.00 0.00 H new ATOM 0 HH11 ARG A 51 0.523 8.349 -3.149 1.00 0.00 H new ATOM 0 HH12 ARG A 51 0.898 9.157 -4.675 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -2.267 8.535 -6.097 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -0.675 9.262 -6.337 1.00 0.00 H new ATOM 720 N PHE A 52 -1.052 3.602 1.175 1.00 0.00 N ATOM 721 CA PHE A 52 -0.336 3.093 2.339 1.00 0.00 C ATOM 722 C PHE A 52 1.168 3.070 2.086 1.00 0.00 C ATOM 723 O PHE A 52 1.622 2.659 1.019 1.00 0.00 O ATOM 724 CB PHE A 52 -0.827 1.687 2.692 1.00 0.00 C ATOM 725 CG PHE A 52 -2.316 1.600 2.872 1.00 0.00 C ATOM 726 CD1 PHE A 52 -3.143 1.336 1.793 1.00 0.00 C ATOM 727 CD2 PHE A 52 -2.887 1.781 4.121 1.00 0.00 C ATOM 728 CE1 PHE A 52 -4.514 1.254 1.956 1.00 0.00 C ATOM 729 CE2 PHE A 52 -4.257 1.700 4.290 1.00 0.00 C ATOM 730 CZ PHE A 52 -5.071 1.438 3.206 1.00 0.00 C ATOM 0 H PHE A 52 -0.532 3.540 0.300 1.00 0.00 H new ATOM 0 HA PHE A 52 -0.535 3.761 3.177 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -0.523 0.996 1.905 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -0.338 1.360 3.610 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -2.712 1.192 0.813 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -2.255 1.988 4.972 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -5.148 1.046 1.107 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -4.690 1.842 5.269 1.00 0.00 H new ATOM 0 HZ PHE A 52 -6.141 1.377 3.336 1.00 0.00 H new ATOM 740 N GLN A 53 1.935 3.516 3.076 1.00 0.00 N ATOM 741 CA GLN A 53 3.389 3.547 2.960 1.00 0.00 C ATOM 742 C GLN A 53 3.993 2.193 3.314 1.00 0.00 C ATOM 743 O GLN A 53 3.931 1.756 4.464 1.00 0.00 O ATOM 744 CB GLN A 53 3.970 4.632 3.869 1.00 0.00 C ATOM 745 CG GLN A 53 3.890 6.029 3.277 1.00 0.00 C ATOM 746 CD GLN A 53 3.923 7.114 4.335 1.00 0.00 C ATOM 747 OE1 GLN A 53 3.441 6.923 5.452 1.00 0.00 O ATOM 748 NE2 GLN A 53 4.494 8.262 3.989 1.00 0.00 N ATOM 0 H GLN A 53 1.575 3.860 3.966 1.00 0.00 H new ATOM 0 HA GLN A 53 3.641 3.776 1.925 1.00 0.00 H new ATOM 0 HB2 GLN A 53 3.439 4.619 4.821 1.00 0.00 H new ATOM 0 HB3 GLN A 53 5.013 4.396 4.082 1.00 0.00 H new ATOM 0 HG2 GLN A 53 4.721 6.175 2.586 1.00 0.00 H new ATOM 0 HG3 GLN A 53 2.972 6.121 2.696 1.00 0.00 H new ATOM 0 HE21 GLN A 53 4.881 8.377 3.052 1.00 0.00 H new ATOM 0 HE22 GLN A 53 4.546 9.028 4.660 1.00 0.00 H new ATOM 757 N ILE A 54 4.576 1.532 2.319 1.00 0.00 N ATOM 758 CA ILE A 54 5.192 0.228 2.526 1.00 0.00 C ATOM 759 C ILE A 54 6.408 0.333 3.440 1.00 0.00 C ATOM 760 O ILE A 54 7.430 0.909 3.066 1.00 0.00 O ATOM 761 CB ILE A 54 5.620 -0.411 1.192 1.00 0.00 C ATOM 762 CG1 ILE A 54 4.424 -0.512 0.243 1.00 0.00 C ATOM 763 CG2 ILE A 54 6.229 -1.784 1.433 1.00 0.00 C ATOM 764 CD1 ILE A 54 3.255 -1.276 0.823 1.00 0.00 C ATOM 0 H ILE A 54 4.634 1.879 1.362 1.00 0.00 H new ATOM 0 HA ILE A 54 4.440 -0.405 2.997 1.00 0.00 H new ATOM 0 HB ILE A 54 6.375 0.223 0.728 1.00 0.00 H new ATOM 0 HG12 ILE A 54 4.095 0.493 -0.022 1.00 0.00 H new ATOM 0 HG13 ILE A 54 4.743 -0.997 -0.680 1.00 0.00 H new ATOM 0 HG21 ILE A 54 6.526 -2.222 0.480 1.00 0.00 H new ATOM 0 HG22 ILE A 54 7.104 -1.686 2.076 1.00 0.00 H new ATOM 0 HG23 ILE A 54 5.494 -2.428 1.915 1.00 0.00 H new ATOM 0 HD11 ILE A 54 2.444 -1.307 0.095 1.00 0.00 H new ATOM 0 HD12 ILE A 54 3.567 -2.292 1.062 1.00 0.00 H new ATOM 0 HD13 ILE A 54 2.910 -0.780 1.730 1.00 0.00 H new ATOM 776 N ILE A 55 6.291 -0.229 4.638 1.00 0.00 N ATOM 777 CA ILE A 55 7.382 -0.201 5.605 1.00 0.00 C ATOM 778 C ILE A 55 8.311 -1.396 5.419 1.00 0.00 C ATOM 779 O ILE A 55 9.526 -1.239 5.309 1.00 0.00 O ATOM 780 CB ILE A 55 6.853 -0.196 7.051 1.00 0.00 C ATOM 781 CG1 ILE A 55 5.843 0.937 7.244 1.00 0.00 C ATOM 782 CG2 ILE A 55 8.005 -0.060 8.036 1.00 0.00 C ATOM 783 CD1 ILE A 55 4.888 0.705 8.394 1.00 0.00 C ATOM 0 H ILE A 55 5.452 -0.709 4.963 1.00 0.00 H new ATOM 0 HA ILE A 55 7.938 0.720 5.428 1.00 0.00 H new ATOM 0 HB ILE A 55 6.348 -1.143 7.241 1.00 0.00 H new ATOM 0 HG12 ILE A 55 6.382 1.869 7.413 1.00 0.00 H new ATOM 0 HG13 ILE A 55 5.270 1.062 6.326 1.00 0.00 H new ATOM 0 HG21 ILE A 55 7.615 -0.058 9.054 1.00 0.00 H new ATOM 0 HG22 ILE A 55 8.691 -0.898 7.912 1.00 0.00 H new ATOM 0 HG23 ILE A 55 8.535 0.874 7.849 1.00 0.00 H new ATOM 0 HD11 ILE A 55 4.201 1.548 8.472 1.00 0.00 H new ATOM 0 HD12 ILE A 55 4.322 -0.210 8.218 1.00 0.00 H new ATOM 0 HD13 ILE A 55 5.452 0.610 9.322 1.00 0.00 H new ATOM 795 N ASN A 56 7.730 -2.591 5.383 1.00 0.00 N ATOM 796 CA ASN A 56 8.506 -3.813 5.209 1.00 0.00 C ATOM 797 C ASN A 56 7.894 -4.697 4.126 1.00 0.00 C ATOM 798 O ASN A 56 6.713 -5.037 4.183 1.00 0.00 O ATOM 799 CB ASN A 56 8.584 -4.584 6.528 1.00 0.00 C ATOM 800 CG ASN A 56 9.860 -5.396 6.649 1.00 0.00 C ATOM 801 OD1 ASN A 56 10.458 -5.785 5.646 1.00 0.00 O ATOM 802 ND2 ASN A 56 10.282 -5.654 7.881 1.00 0.00 N ATOM 0 H ASN A 56 6.725 -2.739 5.472 1.00 0.00 H new ATOM 0 HA ASN A 56 9.513 -3.533 4.899 1.00 0.00 H new ATOM 0 HB2 ASN A 56 8.523 -3.882 7.360 1.00 0.00 H new ATOM 0 HB3 ASN A 56 7.724 -5.249 6.608 1.00 0.00 H new ATOM 0 HD21 ASN A 56 11.135 -6.195 8.025 1.00 0.00 H new ATOM 0 HD22 ASN A 56 9.754 -5.311 8.683 1.00 0.00 H new ATOM 809 N ASN A 57 8.706 -5.064 3.141 1.00 0.00 N ATOM 810 CA ASN A 57 8.245 -5.908 2.045 1.00 0.00 C ATOM 811 C ASN A 57 9.044 -7.207 1.984 1.00 0.00 C ATOM 812 O ASN A 57 9.379 -7.694 0.904 1.00 0.00 O ATOM 813 CB ASN A 57 8.363 -5.162 0.714 1.00 0.00 C ATOM 814 CG ASN A 57 9.801 -4.842 0.356 1.00 0.00 C ATOM 815 OD1 ASN A 57 10.137 -3.558 0.349 1.00 0.00 O flip ATOM 816 ND2 ASN A 57 10.600 -5.740 0.089 1.00 0.00 N flip ATOM 0 H ASN A 57 9.687 -4.790 3.079 1.00 0.00 H new ATOM 0 HA ASN A 57 7.198 -6.154 2.225 1.00 0.00 H new ATOM 0 HB2 ASN A 57 7.920 -5.766 -0.078 1.00 0.00 H new ATOM 0 HB3 ASN A 57 7.790 -4.236 0.768 1.00 0.00 H new ATOM 0 HD21 ASN A 57 10.297 -6.714 0.107 1.00 0.00 H new ATOM 0 HD22 ASN A 57 11.565 -5.510 -0.150 1.00 0.00 H new ATOM 823 N THR A 58 9.346 -7.764 3.153 1.00 0.00 N ATOM 824 CA THR A 58 10.106 -9.005 3.234 1.00 0.00 C ATOM 825 C THR A 58 9.191 -10.219 3.115 1.00 0.00 C ATOM 826 O THR A 58 9.514 -11.184 2.423 1.00 0.00 O ATOM 827 CB THR A 58 10.892 -9.097 4.555 1.00 0.00 C ATOM 828 OG1 THR A 58 11.605 -10.338 4.616 1.00 0.00 O ATOM 829 CG2 THR A 58 9.957 -8.985 5.750 1.00 0.00 C ATOM 0 H THR A 58 9.076 -7.375 4.056 1.00 0.00 H new ATOM 0 HA THR A 58 10.809 -9.000 2.401 1.00 0.00 H new ATOM 0 HB THR A 58 11.600 -8.269 4.589 1.00 0.00 H new ATOM 0 HG1 THR A 58 12.103 -10.388 5.458 1.00 0.00 H new ATOM 0 HG21 THR A 58 10.535 -9.053 6.672 1.00 0.00 H new ATOM 0 HG22 THR A 58 9.437 -8.027 5.717 1.00 0.00 H new ATOM 0 HG23 THR A 58 9.228 -9.795 5.719 1.00 0.00 H new ATOM 837 N GLU A 59 8.049 -10.162 3.792 1.00 0.00 N ATOM 838 CA GLU A 59 7.088 -11.258 3.761 1.00 0.00 C ATOM 839 C GLU A 59 6.195 -11.164 2.527 1.00 0.00 C ATOM 840 O GLU A 59 5.213 -10.423 2.513 1.00 0.00 O ATOM 841 CB GLU A 59 6.229 -11.249 5.027 1.00 0.00 C ATOM 842 CG GLU A 59 7.002 -11.593 6.290 1.00 0.00 C ATOM 843 CD GLU A 59 6.111 -12.139 7.389 1.00 0.00 C ATOM 844 OE1 GLU A 59 5.798 -13.347 7.352 1.00 0.00 O ATOM 845 OE2 GLU A 59 5.728 -11.359 8.285 1.00 0.00 O ATOM 0 H GLU A 59 7.767 -9.369 4.368 1.00 0.00 H new ATOM 0 HA GLU A 59 7.645 -12.194 3.715 1.00 0.00 H new ATOM 0 HB2 GLU A 59 5.779 -10.263 5.144 1.00 0.00 H new ATOM 0 HB3 GLU A 59 5.412 -11.960 4.906 1.00 0.00 H new ATOM 0 HG2 GLU A 59 7.771 -12.328 6.052 1.00 0.00 H new ATOM 0 HG3 GLU A 59 7.514 -10.702 6.652 1.00 0.00 H new ATOM 852 N GLY A 60 6.545 -11.921 1.491 1.00 0.00 N ATOM 853 CA GLY A 60 5.766 -11.908 0.267 1.00 0.00 C ATOM 854 C GLY A 60 4.283 -12.089 0.521 1.00 0.00 C ATOM 855 O GLY A 60 3.451 -11.511 -0.179 1.00 0.00 O ATOM 0 H GLY A 60 7.354 -12.542 1.478 1.00 0.00 H new ATOM 0 HA2 GLY A 60 5.930 -10.965 -0.254 1.00 0.00 H new ATOM 0 HA3 GLY A 60 6.118 -12.701 -0.392 1.00 0.00 H new ATOM 859 N ASP A 61 3.950 -12.894 1.524 1.00 0.00 N ATOM 860 CA ASP A 61 2.557 -13.150 1.868 1.00 0.00 C ATOM 861 C ASP A 61 1.852 -11.861 2.280 1.00 0.00 C ATOM 862 O ASP A 61 0.807 -11.511 1.732 1.00 0.00 O ATOM 863 CB ASP A 61 2.469 -14.177 2.998 1.00 0.00 C ATOM 864 CG ASP A 61 3.109 -15.501 2.628 1.00 0.00 C ATOM 865 OD1 ASP A 61 4.331 -15.519 2.376 1.00 0.00 O ATOM 866 OD2 ASP A 61 2.386 -16.519 2.591 1.00 0.00 O ATOM 0 H ASP A 61 4.626 -13.380 2.113 1.00 0.00 H new ATOM 0 HA ASP A 61 2.058 -13.549 0.985 1.00 0.00 H new ATOM 0 HB2 ASP A 61 2.956 -13.777 3.887 1.00 0.00 H new ATOM 0 HB3 ASP A 61 1.423 -14.342 3.255 1.00 0.00 H new ATOM 871 N TRP A 62 2.432 -11.160 3.248 1.00 0.00 N ATOM 872 CA TRP A 62 1.859 -9.910 3.734 1.00 0.00 C ATOM 873 C TRP A 62 2.938 -8.846 3.903 1.00 0.00 C ATOM 874 O TRP A 62 4.032 -9.131 4.391 1.00 0.00 O ATOM 875 CB TRP A 62 1.137 -10.139 5.063 1.00 0.00 C ATOM 876 CG TRP A 62 0.034 -11.150 4.974 1.00 0.00 C ATOM 877 CD1 TRP A 62 0.170 -12.496 4.787 1.00 0.00 C ATOM 878 CD2 TRP A 62 -1.372 -10.895 5.066 1.00 0.00 C ATOM 879 NE1 TRP A 62 -1.067 -13.093 4.758 1.00 0.00 N ATOM 880 CE2 TRP A 62 -2.029 -12.133 4.927 1.00 0.00 C ATOM 881 CE3 TRP A 62 -2.139 -9.742 5.254 1.00 0.00 C ATOM 882 CZ2 TRP A 62 -3.416 -12.248 4.970 1.00 0.00 C ATOM 883 CZ3 TRP A 62 -3.515 -9.858 5.295 1.00 0.00 C ATOM 884 CH2 TRP A 62 -4.143 -11.103 5.155 1.00 0.00 C ATOM 0 H TRP A 62 3.298 -11.436 3.711 1.00 0.00 H new ATOM 0 HA TRP A 62 1.140 -9.557 2.995 1.00 0.00 H new ATOM 0 HB2 TRP A 62 1.861 -10.466 5.810 1.00 0.00 H new ATOM 0 HB3 TRP A 62 0.725 -9.192 5.412 1.00 0.00 H new ATOM 0 HD1 TRP A 62 1.111 -13.015 4.678 1.00 0.00 H new ATOM 0 HE1 TRP A 62 -1.241 -14.090 4.631 1.00 0.00 H new ATOM 0 HE3 TRP A 62 -1.665 -8.778 5.365 1.00 0.00 H new ATOM 0 HZ2 TRP A 62 -3.901 -13.207 4.861 1.00 0.00 H new ATOM 0 HZ3 TRP A 62 -4.118 -8.973 5.438 1.00 0.00 H new ATOM 0 HH2 TRP A 62 -5.221 -11.160 5.194 1.00 0.00 H new ATOM 895 N TRP A 63 2.623 -7.621 3.499 1.00 0.00 N ATOM 896 CA TRP A 63 3.567 -6.515 3.607 1.00 0.00 C ATOM 897 C TRP A 63 3.126 -5.525 4.679 1.00 0.00 C ATOM 898 O TRP A 63 1.952 -5.164 4.756 1.00 0.00 O ATOM 899 CB TRP A 63 3.704 -5.801 2.261 1.00 0.00 C ATOM 900 CG TRP A 63 4.349 -6.645 1.204 1.00 0.00 C ATOM 901 CD1 TRP A 63 5.072 -7.787 1.395 1.00 0.00 C ATOM 902 CD2 TRP A 63 4.329 -6.412 -0.209 1.00 0.00 C ATOM 903 NE1 TRP A 63 5.504 -8.278 0.186 1.00 0.00 N ATOM 904 CE2 TRP A 63 5.061 -7.453 -0.813 1.00 0.00 C ATOM 905 CE3 TRP A 63 3.764 -5.426 -1.022 1.00 0.00 C ATOM 906 CZ2 TRP A 63 5.241 -7.533 -2.191 1.00 0.00 C ATOM 907 CZ3 TRP A 63 3.943 -5.507 -2.390 1.00 0.00 C ATOM 908 CH2 TRP A 63 4.676 -6.555 -2.964 1.00 0.00 C ATOM 0 H TRP A 63 1.722 -7.368 3.094 1.00 0.00 H new ATOM 0 HA TRP A 63 4.536 -6.924 3.894 1.00 0.00 H new ATOM 0 HB2 TRP A 63 2.716 -5.494 1.918 1.00 0.00 H new ATOM 0 HB3 TRP A 63 4.290 -4.892 2.398 1.00 0.00 H new ATOM 0 HD1 TRP A 63 5.275 -8.238 2.355 1.00 0.00 H new ATOM 0 HE1 TRP A 63 6.064 -9.120 0.054 1.00 0.00 H new ATOM 0 HE3 TRP A 63 3.197 -4.615 -0.589 1.00 0.00 H new ATOM 0 HZ2 TRP A 63 5.807 -8.339 -2.635 1.00 0.00 H new ATOM 0 HZ3 TRP A 63 3.511 -4.750 -3.028 1.00 0.00 H new ATOM 0 HH2 TRP A 63 4.797 -6.591 -4.037 1.00 0.00 H new ATOM 919 N GLU A 64 4.073 -5.090 5.503 1.00 0.00 N ATOM 920 CA GLU A 64 3.779 -4.142 6.572 1.00 0.00 C ATOM 921 C GLU A 64 3.761 -2.712 6.040 1.00 0.00 C ATOM 922 O GLU A 64 4.769 -2.209 5.544 1.00 0.00 O ATOM 923 CB GLU A 64 4.812 -4.267 7.693 1.00 0.00 C ATOM 924 CG GLU A 64 4.524 -3.375 8.889 1.00 0.00 C ATOM 925 CD GLU A 64 5.266 -3.813 10.137 1.00 0.00 C ATOM 926 OE1 GLU A 64 6.513 -3.850 10.103 1.00 0.00 O ATOM 927 OE2 GLU A 64 4.598 -4.118 11.147 1.00 0.00 O ATOM 0 H GLU A 64 5.050 -5.378 5.451 1.00 0.00 H new ATOM 0 HA GLU A 64 2.792 -4.377 6.970 1.00 0.00 H new ATOM 0 HB2 GLU A 64 4.851 -5.304 8.025 1.00 0.00 H new ATOM 0 HB3 GLU A 64 5.797 -4.022 7.297 1.00 0.00 H new ATOM 0 HG2 GLU A 64 4.802 -2.349 8.647 1.00 0.00 H new ATOM 0 HG3 GLU A 64 3.452 -3.377 9.089 1.00 0.00 H new ATOM 934 N ALA A 65 2.607 -2.062 6.146 1.00 0.00 N ATOM 935 CA ALA A 65 2.456 -0.690 5.677 1.00 0.00 C ATOM 936 C ALA A 65 1.780 0.180 6.732 1.00 0.00 C ATOM 937 O ALA A 65 1.097 -0.327 7.622 1.00 0.00 O ATOM 938 CB ALA A 65 1.664 -0.659 4.379 1.00 0.00 C ATOM 0 H ALA A 65 1.762 -2.464 6.553 1.00 0.00 H new ATOM 0 HA ALA A 65 3.451 -0.285 5.492 1.00 0.00 H new ATOM 0 HB1 ALA A 65 1.559 0.372 4.041 1.00 0.00 H new ATOM 0 HB2 ALA A 65 2.188 -1.239 3.619 1.00 0.00 H new ATOM 0 HB3 ALA A 65 0.676 -1.088 4.545 1.00 0.00 H new ATOM 944 N ARG A 66 1.976 1.490 6.627 1.00 0.00 N ATOM 945 CA ARG A 66 1.386 2.429 7.573 1.00 0.00 C ATOM 946 C ARG A 66 0.456 3.407 6.861 1.00 0.00 C ATOM 947 O ARG A 66 0.907 4.278 6.116 1.00 0.00 O ATOM 948 CB ARG A 66 2.483 3.198 8.312 1.00 0.00 C ATOM 949 CG ARG A 66 1.951 4.279 9.239 1.00 0.00 C ATOM 950 CD ARG A 66 3.036 5.277 9.611 1.00 0.00 C ATOM 951 NE ARG A 66 3.777 4.862 10.799 1.00 0.00 N ATOM 952 CZ ARG A 66 3.283 4.917 12.030 1.00 0.00 C ATOM 953 NH1 ARG A 66 2.052 5.367 12.235 1.00 0.00 N ATOM 954 NH2 ARG A 66 4.019 4.521 13.060 1.00 0.00 N ATOM 0 H ARG A 66 2.539 1.925 5.896 1.00 0.00 H new ATOM 0 HA ARG A 66 0.801 1.859 8.295 1.00 0.00 H new ATOM 0 HB2 ARG A 66 3.080 2.495 8.893 1.00 0.00 H new ATOM 0 HB3 ARG A 66 3.150 3.654 7.581 1.00 0.00 H new ATOM 0 HG2 ARG A 66 1.125 4.801 8.755 1.00 0.00 H new ATOM 0 HG3 ARG A 66 1.552 3.820 10.143 1.00 0.00 H new ATOM 0 HD2 ARG A 66 3.726 5.391 8.775 1.00 0.00 H new ATOM 0 HD3 ARG A 66 2.585 6.254 9.788 1.00 0.00 H new ATOM 0 HE ARG A 66 4.727 4.510 10.676 1.00 0.00 H new ATOM 0 HH11 ARG A 66 1.482 5.672 11.446 1.00 0.00 H new ATOM 0 HH12 ARG A 66 1.675 5.408 13.182 1.00 0.00 H new ATOM 0 HH21 ARG A 66 4.966 4.174 12.907 1.00 0.00 H new ATOM 0 HH22 ARG A 66 3.638 4.564 14.005 1.00 0.00 H new ATOM 968 N SER A 67 -0.844 3.257 7.094 1.00 0.00 N ATOM 969 CA SER A 67 -1.837 4.124 6.472 1.00 0.00 C ATOM 970 C SER A 67 -1.460 5.592 6.642 1.00 0.00 C ATOM 971 O SER A 67 -1.010 6.009 7.710 1.00 0.00 O ATOM 972 CB SER A 67 -3.219 3.867 7.076 1.00 0.00 C ATOM 973 OG SER A 67 -3.363 2.511 7.462 1.00 0.00 O ATOM 0 H SER A 67 -1.234 2.543 7.709 1.00 0.00 H new ATOM 0 HA SER A 67 -1.866 3.896 5.407 1.00 0.00 H new ATOM 0 HB2 SER A 67 -3.367 4.512 7.942 1.00 0.00 H new ATOM 0 HB3 SER A 67 -3.990 4.126 6.350 1.00 0.00 H new ATOM 0 HG SER A 67 -3.341 1.940 6.666 1.00 0.00 H new ATOM 979 N ILE A 68 -1.647 6.371 5.582 1.00 0.00 N ATOM 980 CA ILE A 68 -1.328 7.793 5.614 1.00 0.00 C ATOM 981 C ILE A 68 -2.551 8.622 5.993 1.00 0.00 C ATOM 982 O ILE A 68 -2.461 9.545 6.802 1.00 0.00 O ATOM 983 CB ILE A 68 -0.793 8.281 4.255 1.00 0.00 C ATOM 984 CG1 ILE A 68 0.133 7.229 3.640 1.00 0.00 C ATOM 985 CG2 ILE A 68 -0.064 9.606 4.417 1.00 0.00 C ATOM 986 CD1 ILE A 68 0.399 7.445 2.167 1.00 0.00 C ATOM 0 H ILE A 68 -2.018 6.042 4.691 1.00 0.00 H new ATOM 0 HA ILE A 68 -0.553 7.925 6.369 1.00 0.00 H new ATOM 0 HB ILE A 68 -1.637 8.433 3.582 1.00 0.00 H new ATOM 0 HG12 ILE A 68 1.082 7.234 4.177 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -0.308 6.242 3.780 1.00 0.00 H new ATOM 0 HG21 ILE A 68 0.308 9.937 3.448 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -0.750 10.352 4.817 1.00 0.00 H new ATOM 0 HG23 ILE A 68 0.774 9.479 5.103 1.00 0.00 H new ATOM 0 HD11 ILE A 68 1.062 6.663 1.799 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -0.542 7.411 1.618 1.00 0.00 H new ATOM 0 HD13 ILE A 68 0.869 8.418 2.021 1.00 0.00 H new ATOM 998 N ALA A 69 -3.693 8.285 5.404 1.00 0.00 N ATOM 999 CA ALA A 69 -4.935 8.996 5.683 1.00 0.00 C ATOM 1000 C ALA A 69 -5.298 8.908 7.161 1.00 0.00 C ATOM 1001 O ALA A 69 -5.369 9.923 7.856 1.00 0.00 O ATOM 1002 CB ALA A 69 -6.064 8.442 4.826 1.00 0.00 C ATOM 0 H ALA A 69 -3.784 7.524 4.731 1.00 0.00 H new ATOM 0 HA ALA A 69 -4.787 10.047 5.435 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -6.985 8.982 5.045 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -5.814 8.563 3.772 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -6.203 7.384 5.047 1.00 0.00 H new ATOM 1008 N THR A 70 -5.528 7.689 7.638 1.00 0.00 N ATOM 1009 CA THR A 70 -5.885 7.468 9.034 1.00 0.00 C ATOM 1010 C THR A 70 -4.651 7.491 9.928 1.00 0.00 C ATOM 1011 O THR A 70 -4.616 8.193 10.937 1.00 0.00 O ATOM 1012 CB THR A 70 -6.616 6.126 9.221 1.00 0.00 C ATOM 1013 OG1 THR A 70 -5.768 5.045 8.816 1.00 0.00 O ATOM 1014 CG2 THR A 70 -7.906 6.094 8.415 1.00 0.00 C ATOM 0 H THR A 70 -5.473 6.839 7.077 1.00 0.00 H new ATOM 0 HA THR A 70 -6.553 8.280 9.321 1.00 0.00 H new ATOM 0 HB THR A 70 -6.864 6.018 10.277 1.00 0.00 H new ATOM 0 HG1 THR A 70 -6.314 4.252 8.633 1.00 0.00 H new ATOM 0 HG21 THR A 70 -8.404 5.136 8.564 1.00 0.00 H new ATOM 0 HG22 THR A 70 -8.562 6.899 8.746 1.00 0.00 H new ATOM 0 HG23 THR A 70 -7.677 6.224 7.357 1.00 0.00 H new ATOM 1022 N GLY A 71 -3.637 6.719 9.549 1.00 0.00 N ATOM 1023 CA GLY A 71 -2.413 6.666 10.328 1.00 0.00 C ATOM 1024 C GLY A 71 -2.230 5.335 11.030 1.00 0.00 C ATOM 1025 O GLY A 71 -1.426 5.217 11.955 1.00 0.00 O ATOM 0 H GLY A 71 -3.641 6.129 8.717 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -1.561 6.848 9.673 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -2.422 7.466 11.069 1.00 0.00 H new ATOM 1029 N LYS A 72 -2.980 4.329 10.593 1.00 0.00 N ATOM 1030 CA LYS A 72 -2.898 2.999 11.185 1.00 0.00 C ATOM 1031 C LYS A 72 -1.650 2.265 10.704 1.00 0.00 C ATOM 1032 O LYS A 72 -0.902 2.774 9.870 1.00 0.00 O ATOM 1033 CB LYS A 72 -4.147 2.186 10.839 1.00 0.00 C ATOM 1034 CG LYS A 72 -5.443 2.848 11.272 1.00 0.00 C ATOM 1035 CD LYS A 72 -6.603 1.866 11.259 1.00 0.00 C ATOM 1036 CE LYS A 72 -7.920 2.563 10.958 1.00 0.00 C ATOM 1037 NZ LYS A 72 -8.445 3.295 12.144 1.00 0.00 N ATOM 0 H LYS A 72 -3.652 4.410 9.830 1.00 0.00 H new ATOM 0 HA LYS A 72 -2.836 3.114 12.267 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -4.176 2.020 9.762 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -4.074 1.206 11.310 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -5.325 3.260 12.274 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -5.665 3.684 10.608 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -6.419 1.094 10.511 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -6.668 1.365 12.225 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -7.781 3.261 10.133 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -8.654 1.826 10.632 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -9.344 3.756 11.897 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -8.602 2.625 12.924 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -7.756 4.015 12.440 1.00 0.00 H new ATOM 1051 N SER A 73 -1.434 1.065 11.233 1.00 0.00 N ATOM 1052 CA SER A 73 -0.276 0.262 10.858 1.00 0.00 C ATOM 1053 C SER A 73 -0.558 -1.224 11.058 1.00 0.00 C ATOM 1054 O SER A 73 -1.173 -1.624 12.046 1.00 0.00 O ATOM 1055 CB SER A 73 0.946 0.676 11.681 1.00 0.00 C ATOM 1056 OG SER A 73 0.633 0.743 13.061 1.00 0.00 O ATOM 0 H SER A 73 -2.045 0.628 11.922 1.00 0.00 H new ATOM 0 HA SER A 73 -0.070 0.436 9.802 1.00 0.00 H new ATOM 0 HB2 SER A 73 1.754 -0.038 11.523 1.00 0.00 H new ATOM 0 HB3 SER A 73 1.307 1.646 11.339 1.00 0.00 H new ATOM 0 HG SER A 73 1.431 1.008 13.565 1.00 0.00 H new ATOM 1062 N GLY A 74 -0.103 -2.039 10.111 1.00 0.00 N ATOM 1063 CA GLY A 74 -0.316 -3.472 10.200 1.00 0.00 C ATOM 1064 C GLY A 74 0.275 -4.220 9.022 1.00 0.00 C ATOM 1065 O GLY A 74 1.364 -3.890 8.551 1.00 0.00 O ATOM 0 H GLY A 74 0.409 -1.732 9.284 1.00 0.00 H new ATOM 0 HA2 GLY A 74 0.127 -3.845 11.123 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -1.386 -3.674 10.255 1.00 0.00 H new ATOM 1069 N TYR A 75 -0.442 -5.231 8.545 1.00 0.00 N ATOM 1070 CA TYR A 75 0.020 -6.032 7.417 1.00 0.00 C ATOM 1071 C TYR A 75 -1.071 -6.161 6.358 1.00 0.00 C ATOM 1072 O TYR A 75 -2.202 -6.542 6.660 1.00 0.00 O ATOM 1073 CB TYR A 75 0.452 -7.420 7.893 1.00 0.00 C ATOM 1074 CG TYR A 75 1.452 -7.387 9.026 1.00 0.00 C ATOM 1075 CD1 TYR A 75 2.617 -6.636 8.929 1.00 0.00 C ATOM 1076 CD2 TYR A 75 1.234 -8.109 10.193 1.00 0.00 C ATOM 1077 CE1 TYR A 75 3.535 -6.603 9.961 1.00 0.00 C ATOM 1078 CE2 TYR A 75 2.145 -8.081 11.231 1.00 0.00 C ATOM 1079 CZ TYR A 75 3.294 -7.327 11.110 1.00 0.00 C ATOM 1080 OH TYR A 75 4.205 -7.298 12.142 1.00 0.00 O ATOM 0 H TYR A 75 -1.346 -5.516 8.922 1.00 0.00 H new ATOM 0 HA TYR A 75 0.876 -5.526 6.971 1.00 0.00 H new ATOM 0 HB2 TYR A 75 -0.429 -7.976 8.213 1.00 0.00 H new ATOM 0 HB3 TYR A 75 0.884 -7.965 7.054 1.00 0.00 H new ATOM 0 HD1 TYR A 75 2.808 -6.068 8.031 1.00 0.00 H new ATOM 0 HD2 TYR A 75 0.337 -8.702 10.290 1.00 0.00 H new ATOM 0 HE1 TYR A 75 4.436 -6.014 9.869 1.00 0.00 H new ATOM 0 HE2 TYR A 75 1.959 -8.646 12.132 1.00 0.00 H new ATOM 0 HH TYR A 75 3.884 -7.860 12.878 1.00 0.00 H new ATOM 1090 N ILE A 76 -0.721 -5.843 5.117 1.00 0.00 N ATOM 1091 CA ILE A 76 -1.669 -5.925 4.012 1.00 0.00 C ATOM 1092 C ILE A 76 -1.162 -6.863 2.922 1.00 0.00 C ATOM 1093 O ILE A 76 0.022 -6.879 2.583 1.00 0.00 O ATOM 1094 CB ILE A 76 -1.938 -4.539 3.397 1.00 0.00 C ATOM 1095 CG1 ILE A 76 -0.630 -3.908 2.915 1.00 0.00 C ATOM 1096 CG2 ILE A 76 -2.627 -3.635 4.409 1.00 0.00 C ATOM 1097 CD1 ILE A 76 -0.833 -2.704 2.022 1.00 0.00 C ATOM 0 H ILE A 76 0.211 -5.526 4.851 1.00 0.00 H new ATOM 0 HA ILE A 76 -2.599 -6.318 4.422 1.00 0.00 H new ATOM 0 HB ILE A 76 -2.599 -4.661 2.539 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -0.038 -3.612 3.781 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -0.052 -4.658 2.375 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -2.810 -2.659 3.960 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -3.576 -4.081 4.708 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -1.989 -3.517 5.285 1.00 0.00 H new ATOM 0 HD11 ILE A 76 0.136 -2.309 1.718 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -1.398 -2.998 1.138 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -1.384 -1.936 2.566 1.00 0.00 H new ATOM 1109 N PRO A 77 -2.078 -7.663 2.356 1.00 0.00 N ATOM 1110 CA PRO A 77 -1.748 -8.617 1.294 1.00 0.00 C ATOM 1111 C PRO A 77 -1.400 -7.925 -0.019 1.00 0.00 C ATOM 1112 O PRO A 77 -2.239 -7.253 -0.620 1.00 0.00 O ATOM 1113 CB PRO A 77 -3.031 -9.437 1.142 1.00 0.00 C ATOM 1114 CG PRO A 77 -4.116 -8.535 1.621 1.00 0.00 C ATOM 1115 CD PRO A 77 -3.507 -7.697 2.711 1.00 0.00 C ATOM 0 HA PRO A 77 -0.871 -9.215 1.542 1.00 0.00 H new ATOM 0 HB2 PRO A 77 -3.191 -9.733 0.105 1.00 0.00 H new ATOM 0 HB3 PRO A 77 -2.988 -10.353 1.732 1.00 0.00 H new ATOM 0 HG2 PRO A 77 -4.490 -7.909 0.810 1.00 0.00 H new ATOM 0 HG3 PRO A 77 -4.963 -9.109 1.997 1.00 0.00 H new ATOM 0 HD2 PRO A 77 -3.939 -6.696 2.737 1.00 0.00 H new ATOM 0 HD3 PRO A 77 -3.666 -8.139 3.695 1.00 0.00 H new ATOM 1123 N SER A 78 -0.157 -8.093 -0.461 1.00 0.00 N ATOM 1124 CA SER A 78 0.303 -7.481 -1.702 1.00 0.00 C ATOM 1125 C SER A 78 -0.574 -7.908 -2.875 1.00 0.00 C ATOM 1126 O SER A 78 -0.702 -7.186 -3.863 1.00 0.00 O ATOM 1127 CB SER A 78 1.759 -7.863 -1.974 1.00 0.00 C ATOM 1128 OG SER A 78 1.912 -9.269 -2.055 1.00 0.00 O ATOM 0 H SER A 78 0.549 -8.648 0.022 1.00 0.00 H new ATOM 0 HA SER A 78 0.233 -6.399 -1.593 1.00 0.00 H new ATOM 0 HB2 SER A 78 2.090 -7.404 -2.905 1.00 0.00 H new ATOM 0 HB3 SER A 78 2.395 -7.470 -1.181 1.00 0.00 H new ATOM 0 HG SER A 78 2.851 -9.486 -2.231 1.00 0.00 H new ATOM 1134 N ASN A 79 -1.176 -9.087 -2.758 1.00 0.00 N ATOM 1135 CA ASN A 79 -2.041 -9.611 -3.809 1.00 0.00 C ATOM 1136 C ASN A 79 -3.282 -8.740 -3.977 1.00 0.00 C ATOM 1137 O ASN A 79 -4.083 -8.952 -4.888 1.00 0.00 O ATOM 1138 CB ASN A 79 -2.453 -11.049 -3.489 1.00 0.00 C ATOM 1139 CG ASN A 79 -1.264 -11.931 -3.158 1.00 0.00 C ATOM 1140 OD1 ASN A 79 -0.424 -12.207 -4.015 1.00 0.00 O ATOM 1141 ND2 ASN A 79 -1.189 -12.379 -1.910 1.00 0.00 N ATOM 0 H ASN A 79 -1.081 -9.697 -1.946 1.00 0.00 H new ATOM 0 HA ASN A 79 -1.482 -9.600 -4.745 1.00 0.00 H new ATOM 0 HB2 ASN A 79 -3.146 -11.047 -2.648 1.00 0.00 H new ATOM 0 HB3 ASN A 79 -2.988 -11.469 -4.341 1.00 0.00 H new ATOM 0 HD21 ASN A 79 -0.412 -12.977 -1.629 1.00 0.00 H new ATOM 0 HD22 ASN A 79 -1.908 -12.125 -1.233 1.00 0.00 H new ATOM 1148 N TYR A 80 -3.434 -7.760 -3.093 1.00 0.00 N ATOM 1149 CA TYR A 80 -4.579 -6.858 -3.142 1.00 0.00 C ATOM 1150 C TYR A 80 -4.131 -5.425 -3.412 1.00 0.00 C ATOM 1151 O TYR A 80 -4.834 -4.655 -4.068 1.00 0.00 O ATOM 1152 CB TYR A 80 -5.361 -6.921 -1.829 1.00 0.00 C ATOM 1153 CG TYR A 80 -6.457 -7.962 -1.826 1.00 0.00 C ATOM 1154 CD1 TYR A 80 -6.255 -9.213 -2.396 1.00 0.00 C ATOM 1155 CD2 TYR A 80 -7.694 -7.696 -1.253 1.00 0.00 C ATOM 1156 CE1 TYR A 80 -7.254 -10.168 -2.397 1.00 0.00 C ATOM 1157 CE2 TYR A 80 -8.698 -8.644 -1.248 1.00 0.00 C ATOM 1158 CZ TYR A 80 -8.474 -9.878 -1.821 1.00 0.00 C ATOM 1159 OH TYR A 80 -9.471 -10.827 -1.818 1.00 0.00 O ATOM 0 H TYR A 80 -2.779 -7.570 -2.334 1.00 0.00 H new ATOM 0 HA TYR A 80 -5.227 -7.177 -3.958 1.00 0.00 H new ATOM 0 HB2 TYR A 80 -4.669 -7.132 -1.014 1.00 0.00 H new ATOM 0 HB3 TYR A 80 -5.800 -5.943 -1.630 1.00 0.00 H new ATOM 0 HD1 TYR A 80 -5.301 -9.443 -2.846 1.00 0.00 H new ATOM 0 HD2 TYR A 80 -7.874 -6.731 -0.803 1.00 0.00 H new ATOM 0 HE1 TYR A 80 -7.081 -11.135 -2.846 1.00 0.00 H new ATOM 0 HE2 TYR A 80 -9.654 -8.420 -0.798 1.00 0.00 H new ATOM 0 HH TYR A 80 -10.266 -10.465 -1.373 1.00 0.00 H new ATOM 1169 N VAL A 81 -2.955 -5.073 -2.902 1.00 0.00 N ATOM 1170 CA VAL A 81 -2.411 -3.733 -3.088 1.00 0.00 C ATOM 1171 C VAL A 81 -1.329 -3.724 -4.163 1.00 0.00 C ATOM 1172 O VAL A 81 -0.526 -4.653 -4.258 1.00 0.00 O ATOM 1173 CB VAL A 81 -1.822 -3.179 -1.777 1.00 0.00 C ATOM 1174 CG1 VAL A 81 -2.915 -2.995 -0.736 1.00 0.00 C ATOM 1175 CG2 VAL A 81 -0.726 -4.097 -1.256 1.00 0.00 C ATOM 0 H VAL A 81 -2.361 -5.697 -2.357 1.00 0.00 H new ATOM 0 HA VAL A 81 -3.238 -3.096 -3.403 1.00 0.00 H new ATOM 0 HB VAL A 81 -1.381 -2.203 -1.981 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -2.480 -2.603 0.183 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -3.661 -2.295 -1.112 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -3.389 -3.955 -0.532 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -0.321 -3.691 -0.329 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -1.140 -5.087 -1.067 1.00 0.00 H new ATOM 0 HG23 VAL A 81 0.069 -4.172 -1.998 1.00 0.00 H new ATOM 1185 N VAL A 82 -1.313 -2.668 -4.970 1.00 0.00 N ATOM 1186 CA VAL A 82 -0.328 -2.537 -6.037 1.00 0.00 C ATOM 1187 C VAL A 82 0.287 -1.141 -6.049 1.00 0.00 C ATOM 1188 O VAL A 82 -0.326 -0.162 -5.622 1.00 0.00 O ATOM 1189 CB VAL A 82 -0.953 -2.822 -7.415 1.00 0.00 C ATOM 1190 CG1 VAL A 82 -1.970 -3.949 -7.318 1.00 0.00 C ATOM 1191 CG2 VAL A 82 -1.593 -1.563 -7.980 1.00 0.00 C ATOM 0 H VAL A 82 -1.971 -1.891 -4.905 1.00 0.00 H new ATOM 0 HA VAL A 82 0.452 -3.273 -5.840 1.00 0.00 H new ATOM 0 HB VAL A 82 -0.162 -3.137 -8.095 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -2.401 -4.136 -8.302 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -1.478 -4.853 -6.960 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -2.761 -3.667 -6.623 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -2.030 -1.783 -8.954 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -2.373 -1.216 -7.302 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -0.835 -0.787 -8.089 1.00 0.00 H new ATOM 1201 N PRO A 83 1.528 -1.046 -6.549 1.00 0.00 N ATOM 1202 CA PRO A 83 2.253 0.225 -6.629 1.00 0.00 C ATOM 1203 C PRO A 83 1.656 1.168 -7.669 1.00 0.00 C ATOM 1204 O PRO A 83 1.334 0.756 -8.782 1.00 0.00 O ATOM 1205 CB PRO A 83 3.666 -0.198 -7.040 1.00 0.00 C ATOM 1206 CG PRO A 83 3.482 -1.497 -7.746 1.00 0.00 C ATOM 1207 CD PRO A 83 2.318 -2.172 -7.075 1.00 0.00 C ATOM 0 HA PRO A 83 2.214 0.776 -5.689 1.00 0.00 H new ATOM 0 HB2 PRO A 83 4.128 0.544 -7.691 1.00 0.00 H new ATOM 0 HB3 PRO A 83 4.315 -0.308 -6.171 1.00 0.00 H new ATOM 0 HG2 PRO A 83 3.284 -1.340 -8.806 1.00 0.00 H new ATOM 0 HG3 PRO A 83 4.381 -2.109 -7.677 1.00 0.00 H new ATOM 0 HD2 PRO A 83 1.742 -2.773 -7.778 1.00 0.00 H new ATOM 0 HD3 PRO A 83 2.645 -2.840 -6.278 1.00 0.00 H new ATOM 1215 N ALA A 84 1.512 2.436 -7.297 1.00 0.00 N ATOM 1216 CA ALA A 84 0.956 3.438 -8.198 1.00 0.00 C ATOM 1217 C ALA A 84 1.867 3.660 -9.401 1.00 0.00 C ATOM 1218 O ALA A 84 1.530 4.411 -10.317 1.00 0.00 O ATOM 1219 CB ALA A 84 0.730 4.747 -7.457 1.00 0.00 C ATOM 0 H ALA A 84 1.773 2.793 -6.378 1.00 0.00 H new ATOM 0 HA ALA A 84 -0.003 3.070 -8.564 1.00 0.00 H new ATOM 0 HB1 ALA A 84 0.315 5.486 -8.142 1.00 0.00 H new ATOM 0 HB2 ALA A 84 0.034 4.584 -6.634 1.00 0.00 H new ATOM 0 HB3 ALA A 84 1.679 5.111 -7.063 1.00 0.00 H new ATOM 1225 N ASP A 85 3.021 3.003 -9.392 1.00 0.00 N ATOM 1226 CA ASP A 85 3.980 3.128 -10.484 1.00 0.00 C ATOM 1227 C ASP A 85 3.845 1.965 -11.462 1.00 0.00 C ATOM 1228 O ASP A 85 3.936 2.148 -12.676 1.00 0.00 O ATOM 1229 CB ASP A 85 5.406 3.185 -9.934 1.00 0.00 C ATOM 1230 CG ASP A 85 6.441 2.770 -10.962 1.00 0.00 C ATOM 1231 OD1 ASP A 85 6.612 1.551 -11.173 1.00 0.00 O ATOM 1232 OD2 ASP A 85 7.078 3.665 -11.556 1.00 0.00 O ATOM 0 H ASP A 85 3.316 2.379 -8.641 1.00 0.00 H new ATOM 0 HA ASP A 85 3.767 4.054 -11.018 1.00 0.00 H new ATOM 0 HB2 ASP A 85 5.621 4.198 -9.595 1.00 0.00 H new ATOM 0 HB3 ASP A 85 5.482 2.534 -9.063 1.00 0.00 H new ATOM 1237 N SER A 86 3.629 0.768 -10.925 1.00 0.00 N ATOM 1238 CA SER A 86 3.486 -0.425 -11.750 1.00 0.00 C ATOM 1239 C SER A 86 2.052 -0.943 -11.713 1.00 0.00 C ATOM 1240 O SER A 86 1.801 -2.125 -11.950 1.00 0.00 O ATOM 1241 CB SER A 86 4.447 -1.517 -11.275 1.00 0.00 C ATOM 1242 OG SER A 86 5.683 -1.444 -11.965 1.00 0.00 O ATOM 0 H SER A 86 3.549 0.599 -9.922 1.00 0.00 H new ATOM 0 HA SER A 86 3.730 -0.157 -12.778 1.00 0.00 H new ATOM 0 HB2 SER A 86 4.618 -1.414 -10.204 1.00 0.00 H new ATOM 0 HB3 SER A 86 3.996 -2.497 -11.433 1.00 0.00 H new ATOM 0 HG SER A 86 6.091 -0.566 -11.814 1.00 0.00 H new ATOM 1248 N ILE A 87 1.115 -0.050 -11.414 1.00 0.00 N ATOM 1249 CA ILE A 87 -0.295 -0.416 -11.346 1.00 0.00 C ATOM 1250 C ILE A 87 -0.634 -1.490 -12.374 1.00 0.00 C ATOM 1251 O ILE A 87 -0.763 -1.206 -13.564 1.00 0.00 O ATOM 1252 CB ILE A 87 -1.205 0.805 -11.578 1.00 0.00 C ATOM 1253 CG1 ILE A 87 -0.544 2.072 -11.031 1.00 0.00 C ATOM 1254 CG2 ILE A 87 -2.562 0.585 -10.926 1.00 0.00 C ATOM 1255 CD1 ILE A 87 -1.521 3.194 -10.759 1.00 0.00 C ATOM 0 H ILE A 87 1.306 0.932 -11.215 1.00 0.00 H new ATOM 0 HA ILE A 87 -0.472 -0.806 -10.344 1.00 0.00 H new ATOM 0 HB ILE A 87 -1.355 0.930 -12.650 1.00 0.00 H new ATOM 0 HG12 ILE A 87 -0.017 1.828 -10.108 1.00 0.00 H new ATOM 0 HG13 ILE A 87 0.205 2.418 -11.743 1.00 0.00 H new ATOM 0 HG21 ILE A 87 -3.194 1.456 -11.098 1.00 0.00 H new ATOM 0 HG22 ILE A 87 -3.034 -0.297 -11.358 1.00 0.00 H new ATOM 0 HG23 ILE A 87 -2.431 0.438 -9.854 1.00 0.00 H new ATOM 0 HD11 ILE A 87 -0.983 4.060 -10.373 1.00 0.00 H new ATOM 0 HD12 ILE A 87 -2.030 3.466 -11.684 1.00 0.00 H new ATOM 0 HD13 ILE A 87 -2.256 2.866 -10.023 1.00 0.00 H new ATOM 1267 N GLN A 88 -0.778 -2.726 -11.904 1.00 0.00 N ATOM 1268 CA GLN A 88 -1.103 -3.843 -12.783 1.00 0.00 C ATOM 1269 C GLN A 88 -2.581 -3.827 -13.159 1.00 0.00 C ATOM 1270 O GLN A 88 -2.992 -4.468 -14.126 1.00 0.00 O ATOM 1271 CB GLN A 88 -0.750 -5.169 -12.108 1.00 0.00 C ATOM 1272 CG GLN A 88 -1.446 -5.376 -10.772 1.00 0.00 C ATOM 1273 CD GLN A 88 -0.926 -6.588 -10.025 1.00 0.00 C ATOM 1274 OE1 GLN A 88 -1.646 -7.568 -9.830 1.00 0.00 O ATOM 1275 NE2 GLN A 88 0.331 -6.529 -9.601 1.00 0.00 N ATOM 0 H GLN A 88 -0.675 -2.978 -10.921 1.00 0.00 H new ATOM 0 HA GLN A 88 -0.514 -3.740 -13.694 1.00 0.00 H new ATOM 0 HB2 GLN A 88 -1.013 -5.989 -12.776 1.00 0.00 H new ATOM 0 HB3 GLN A 88 0.329 -5.215 -11.957 1.00 0.00 H new ATOM 0 HG2 GLN A 88 -1.311 -4.488 -10.155 1.00 0.00 H new ATOM 0 HG3 GLN A 88 -2.517 -5.488 -10.938 1.00 0.00 H new ATOM 0 HE21 GLN A 88 0.893 -5.697 -9.784 1.00 0.00 H new ATOM 0 HE22 GLN A 88 0.735 -7.315 -9.092 1.00 0.00 H new ATOM 1284 N ALA A 89 -3.375 -3.092 -12.388 1.00 0.00 N ATOM 1285 CA ALA A 89 -4.807 -2.992 -12.641 1.00 0.00 C ATOM 1286 C ALA A 89 -5.229 -1.540 -12.843 1.00 0.00 C ATOM 1287 O ALA A 89 -6.378 -1.179 -12.595 1.00 0.00 O ATOM 1288 CB ALA A 89 -5.590 -3.617 -11.496 1.00 0.00 C ATOM 0 H ALA A 89 -3.051 -2.557 -11.583 1.00 0.00 H new ATOM 0 HA ALA A 89 -5.028 -3.538 -13.558 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -6.658 -3.535 -11.698 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -5.318 -4.668 -11.400 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -5.356 -3.096 -10.568 1.00 0.00 H new ATOM 1294 N GLU A 90 -4.290 -0.714 -13.294 1.00 0.00 N ATOM 1295 CA GLU A 90 -4.566 0.699 -13.528 1.00 0.00 C ATOM 1296 C GLU A 90 -5.992 0.899 -14.034 1.00 0.00 C ATOM 1297 O GLU A 90 -6.617 1.925 -13.770 1.00 0.00 O ATOM 1298 CB GLU A 90 -3.570 1.276 -14.535 1.00 0.00 C ATOM 1299 CG GLU A 90 -3.218 0.318 -15.661 1.00 0.00 C ATOM 1300 CD GLU A 90 -1.813 0.532 -16.191 1.00 0.00 C ATOM 1301 OE1 GLU A 90 -1.354 1.693 -16.205 1.00 0.00 O ATOM 1302 OE2 GLU A 90 -1.173 -0.463 -16.592 1.00 0.00 O ATOM 0 H GLU A 90 -3.333 -0.998 -13.504 1.00 0.00 H new ATOM 0 HA GLU A 90 -4.459 1.225 -12.580 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -3.986 2.188 -14.962 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -2.657 1.557 -14.010 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -3.316 -0.707 -15.304 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -3.932 0.442 -16.475 1.00 0.00 H new ATOM 1309 N GLU A 91 -6.498 -0.090 -14.764 1.00 0.00 N ATOM 1310 CA GLU A 91 -7.849 -0.022 -15.309 1.00 0.00 C ATOM 1311 C GLU A 91 -8.800 0.652 -14.324 1.00 0.00 C ATOM 1312 O GLU A 91 -9.723 1.361 -14.724 1.00 0.00 O ATOM 1313 CB GLU A 91 -8.358 -1.425 -15.647 1.00 0.00 C ATOM 1314 CG GLU A 91 -7.597 -2.093 -16.780 1.00 0.00 C ATOM 1315 CD GLU A 91 -8.402 -3.181 -17.462 1.00 0.00 C ATOM 1316 OE1 GLU A 91 -9.469 -2.865 -18.028 1.00 0.00 O ATOM 1317 OE2 GLU A 91 -7.964 -4.351 -17.430 1.00 0.00 O ATOM 0 H GLU A 91 -5.994 -0.947 -14.991 1.00 0.00 H new ATOM 0 HA GLU A 91 -7.815 0.574 -16.221 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -8.291 -2.051 -14.757 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -9.413 -1.365 -15.915 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -7.314 -1.340 -17.516 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -6.673 -2.520 -16.390 1.00 0.00 H new ATOM 1324 N TRP A 92 -8.566 0.426 -13.037 1.00 0.00 N ATOM 1325 CA TRP A 92 -9.401 1.011 -11.994 1.00 0.00 C ATOM 1326 C TRP A 92 -9.353 2.534 -12.049 1.00 0.00 C ATOM 1327 O TRP A 92 -10.386 3.200 -11.973 1.00 0.00 O ATOM 1328 CB TRP A 92 -8.950 0.523 -10.617 1.00 0.00 C ATOM 1329 CG TRP A 92 -7.591 1.019 -10.227 1.00 0.00 C ATOM 1330 CD1 TRP A 92 -6.430 0.300 -10.209 1.00 0.00 C ATOM 1331 CD2 TRP A 92 -7.253 2.342 -9.796 1.00 0.00 C ATOM 1332 NE1 TRP A 92 -5.390 1.097 -9.794 1.00 0.00 N ATOM 1333 CE2 TRP A 92 -5.868 2.354 -9.535 1.00 0.00 C ATOM 1334 CE3 TRP A 92 -7.984 3.518 -9.607 1.00 0.00 C ATOM 1335 CZ2 TRP A 92 -5.204 3.495 -9.094 1.00 0.00 C ATOM 1336 CZ3 TRP A 92 -7.323 4.650 -9.169 1.00 0.00 C ATOM 1337 CH2 TRP A 92 -5.945 4.632 -8.918 1.00 0.00 C ATOM 0 H TRP A 92 -7.805 -0.158 -12.690 1.00 0.00 H new ATOM 0 HA TRP A 92 -10.429 0.692 -12.165 1.00 0.00 H new ATOM 0 HB2 TRP A 92 -9.675 0.846 -9.870 1.00 0.00 H new ATOM 0 HB3 TRP A 92 -8.947 -0.567 -10.609 1.00 0.00 H new ATOM 0 HD1 TRP A 92 -6.342 -0.742 -10.481 1.00 0.00 H new ATOM 0 HE1 TRP A 92 -4.419 0.800 -9.695 1.00 0.00 H new ATOM 0 HE3 TRP A 92 -9.046 3.542 -9.800 1.00 0.00 H new ATOM 0 HZ2 TRP A 92 -4.142 3.483 -8.898 1.00 0.00 H new ATOM 0 HZ3 TRP A 92 -7.878 5.564 -9.018 1.00 0.00 H new ATOM 0 HH2 TRP A 92 -5.457 5.534 -8.579 1.00 0.00 H new ATOM 1348 N TYR A 93 -8.149 3.079 -12.181 1.00 0.00 N ATOM 1349 CA TYR A 93 -7.967 4.524 -12.243 1.00 0.00 C ATOM 1350 C TYR A 93 -8.250 5.049 -13.647 1.00 0.00 C ATOM 1351 O TYR A 93 -8.713 6.177 -13.819 1.00 0.00 O ATOM 1352 CB TYR A 93 -6.544 4.898 -11.824 1.00 0.00 C ATOM 1353 CG TYR A 93 -5.587 5.034 -12.986 1.00 0.00 C ATOM 1354 CD1 TYR A 93 -5.764 6.022 -13.946 1.00 0.00 C ATOM 1355 CD2 TYR A 93 -4.504 4.174 -13.123 1.00 0.00 C ATOM 1356 CE1 TYR A 93 -4.891 6.149 -15.010 1.00 0.00 C ATOM 1357 CE2 TYR A 93 -3.626 4.294 -14.183 1.00 0.00 C ATOM 1358 CZ TYR A 93 -3.824 5.283 -15.124 1.00 0.00 C ATOM 1359 OH TYR A 93 -2.952 5.407 -16.181 1.00 0.00 O ATOM 0 H TYR A 93 -7.284 2.542 -12.247 1.00 0.00 H new ATOM 0 HA TYR A 93 -8.675 4.984 -11.553 1.00 0.00 H new ATOM 0 HB2 TYR A 93 -6.571 5.839 -11.275 1.00 0.00 H new ATOM 0 HB3 TYR A 93 -6.165 4.140 -11.139 1.00 0.00 H new ATOM 0 HD1 TYR A 93 -6.598 6.703 -13.860 1.00 0.00 H new ATOM 0 HD2 TYR A 93 -4.346 3.398 -12.388 1.00 0.00 H new ATOM 0 HE1 TYR A 93 -5.044 6.922 -15.748 1.00 0.00 H new ATOM 0 HE2 TYR A 93 -2.789 3.617 -14.274 1.00 0.00 H new ATOM 0 HH TYR A 93 -3.328 4.962 -16.969 1.00 0.00 H new ATOM 1369 N PHE A 94 -7.970 4.221 -14.648 1.00 0.00 N ATOM 1370 CA PHE A 94 -8.194 4.601 -16.039 1.00 0.00 C ATOM 1371 C PHE A 94 -9.672 4.878 -16.296 1.00 0.00 C ATOM 1372 O PHE A 94 -10.025 5.828 -16.993 1.00 0.00 O ATOM 1373 CB PHE A 94 -7.700 3.497 -16.976 1.00 0.00 C ATOM 1374 CG PHE A 94 -6.275 3.678 -17.417 1.00 0.00 C ATOM 1375 CD1 PHE A 94 -5.905 4.779 -18.173 1.00 0.00 C ATOM 1376 CD2 PHE A 94 -5.307 2.747 -17.077 1.00 0.00 C ATOM 1377 CE1 PHE A 94 -4.595 4.949 -18.580 1.00 0.00 C ATOM 1378 CE2 PHE A 94 -3.996 2.912 -17.481 1.00 0.00 C ATOM 1379 CZ PHE A 94 -3.640 4.014 -18.235 1.00 0.00 C ATOM 0 H PHE A 94 -7.588 3.284 -14.523 1.00 0.00 H new ATOM 0 HA PHE A 94 -7.632 5.514 -16.236 1.00 0.00 H new ATOM 0 HB2 PHE A 94 -7.797 2.535 -16.473 1.00 0.00 H new ATOM 0 HB3 PHE A 94 -8.343 3.463 -17.856 1.00 0.00 H new ATOM 0 HD1 PHE A 94 -6.649 5.513 -18.447 1.00 0.00 H new ATOM 0 HD2 PHE A 94 -5.580 1.883 -16.490 1.00 0.00 H new ATOM 0 HE1 PHE A 94 -4.319 5.812 -19.167 1.00 0.00 H new ATOM 0 HE2 PHE A 94 -3.250 2.180 -17.208 1.00 0.00 H new ATOM 0 HZ PHE A 94 -2.616 4.143 -18.554 1.00 0.00 H new