USER MOD reduce.3.24.130724 H: found=0, std=0, add=338, rem=0, adj=5 USER MOD reduce.3.24.130724 removed 339 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 29 ASN : amide:sc= -0.0486 K(o=-0.049,f=-2.1!) USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 31 GLN : amide:sc=-0.00712 X(o=-0.0071,f=-0.29) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 45 ASN : amide:sc= -0.396 X(o=-0.4,f=-0.037) USER MOD Single : A 47 GLN : amide:sc= -0.0297 X(o=-0.03,f=-0.03) USER MOD Single : A 49 TYR OH : rot 180:sc= -0.383 USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 THR OG1 : rot 157:sc= -1.72! USER MOD Single : A 55 GLN : amide:sc= -0.005 X(o=-0.005,f=-0.005) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 THR OG1 : rot 29:sc= 0.184 USER MOD Single : A 63 LYS NZ :NH3+ 166:sc= -0.0196 (180deg=-0.238) USER MOD ----------------------------------------------------------------- ATOM 355 N ALA A 23 49.299 -16.829 25.057 1.00 0.00 N ATOM 356 CA ALA A 23 49.050 -17.656 26.260 1.00 0.00 C ATOM 357 C ALA A 23 50.157 -17.500 27.331 1.00 0.00 C ATOM 358 O ALA A 23 49.866 -17.113 28.465 1.00 0.00 O ATOM 359 CB ALA A 23 48.886 -19.120 25.861 1.00 0.00 C ATOM 0 HA ALA A 23 48.126 -17.299 26.715 1.00 0.00 H new ATOM 0 HB1 ALA A 23 48.703 -19.722 26.751 1.00 0.00 H new ATOM 0 HB2 ALA A 23 48.043 -19.219 25.177 1.00 0.00 H new ATOM 0 HB3 ALA A 23 49.795 -19.467 25.369 1.00 0.00 H new ATOM 365 N ALA A 24 51.424 -17.776 26.945 1.00 0.00 N ATOM 366 CA ALA A 24 52.591 -17.661 27.853 1.00 0.00 C ATOM 367 C ALA A 24 53.907 -17.698 27.057 1.00 0.00 C ATOM 368 O ALA A 24 54.232 -18.726 26.441 1.00 0.00 O ATOM 369 CB ALA A 24 52.577 -18.787 28.912 1.00 0.00 C ATOM 0 H ALA A 24 51.666 -18.083 26.003 1.00 0.00 H new ATOM 0 HA ALA A 24 52.522 -16.702 28.367 1.00 0.00 H new ATOM 0 HB1 ALA A 24 53.442 -18.682 29.566 1.00 0.00 H new ATOM 0 HB2 ALA A 24 51.664 -18.719 29.504 1.00 0.00 H new ATOM 0 HB3 ALA A 24 52.615 -19.756 28.414 1.00 0.00 H new ATOM 375 N GLU A 25 54.669 -16.578 27.063 1.00 0.00 N ATOM 376 CA GLU A 25 55.998 -16.530 26.427 1.00 0.00 C ATOM 377 C GLU A 25 57.024 -17.284 27.316 1.00 0.00 C ATOM 378 O GLU A 25 57.477 -16.791 28.356 1.00 0.00 O ATOM 379 CB GLU A 25 56.445 -15.072 26.094 1.00 0.00 C ATOM 380 CG GLU A 25 56.571 -14.102 27.283 1.00 0.00 C ATOM 381 CD GLU A 25 57.167 -12.746 26.882 1.00 0.00 C ATOM 382 OE1 GLU A 25 58.394 -12.674 26.670 1.00 0.00 O ATOM 383 OE2 GLU A 25 56.410 -11.753 26.764 1.00 0.00 O ATOM 0 H GLU A 25 54.383 -15.702 27.500 1.00 0.00 H new ATOM 0 HA GLU A 25 55.943 -17.037 25.464 1.00 0.00 H new ATOM 0 HB2 GLU A 25 57.409 -15.118 25.588 1.00 0.00 H new ATOM 0 HB3 GLU A 25 55.733 -14.651 25.384 1.00 0.00 H new ATOM 0 HG2 GLU A 25 55.587 -13.945 27.724 1.00 0.00 H new ATOM 0 HG3 GLU A 25 57.196 -14.556 28.052 1.00 0.00 H new ATOM 390 N ARG A 26 57.310 -18.527 26.915 1.00 0.00 N ATOM 391 CA ARG A 26 58.155 -19.468 27.663 1.00 0.00 C ATOM 392 C ARG A 26 58.845 -20.414 26.669 1.00 0.00 C ATOM 393 O ARG A 26 58.275 -21.431 26.268 1.00 0.00 O ATOM 394 CB ARG A 26 57.273 -20.221 28.709 1.00 0.00 C ATOM 395 CG ARG A 26 57.894 -21.489 29.340 1.00 0.00 C ATOM 396 CD ARG A 26 57.113 -21.972 30.569 1.00 0.00 C ATOM 397 NE ARG A 26 57.438 -23.361 30.920 1.00 0.00 N ATOM 398 CZ ARG A 26 56.768 -24.099 31.826 1.00 0.00 C ATOM 399 NH1 ARG A 26 55.883 -23.531 32.637 1.00 0.00 N ATOM 400 NH2 ARG A 26 57.020 -25.389 31.950 1.00 0.00 N ATOM 0 H ARG A 26 56.953 -18.917 26.043 1.00 0.00 H new ATOM 0 HA ARG A 26 58.939 -18.949 28.215 1.00 0.00 H new ATOM 0 HB2 ARG A 26 57.024 -19.526 29.511 1.00 0.00 H new ATOM 0 HB3 ARG A 26 56.336 -20.501 28.228 1.00 0.00 H new ATOM 0 HG2 ARG A 26 57.924 -22.285 28.596 1.00 0.00 H new ATOM 0 HG3 ARG A 26 58.925 -21.282 29.626 1.00 0.00 H new ATOM 0 HD2 ARG A 26 57.334 -21.323 31.416 1.00 0.00 H new ATOM 0 HD3 ARG A 26 56.044 -21.888 30.374 1.00 0.00 H new ATOM 0 HE ARG A 26 58.227 -23.798 30.444 1.00 0.00 H new ATOM 0 HH11 ARG A 26 55.706 -22.528 32.577 1.00 0.00 H new ATOM 0 HH12 ARG A 26 55.380 -24.097 33.320 1.00 0.00 H new ATOM 0 HH21 ARG A 26 57.724 -25.830 31.359 1.00 0.00 H new ATOM 0 HH22 ARG A 26 56.511 -25.944 32.637 1.00 0.00 H new ATOM 414 N ARG A 27 60.054 -20.016 26.224 1.00 0.00 N ATOM 415 CA ARG A 27 60.824 -20.759 25.207 1.00 0.00 C ATOM 416 C ARG A 27 61.473 -21.998 25.858 1.00 0.00 C ATOM 417 O ARG A 27 62.606 -21.946 26.355 1.00 0.00 O ATOM 418 CB ARG A 27 61.916 -19.867 24.514 1.00 0.00 C ATOM 419 CG ARG A 27 61.392 -18.715 23.617 1.00 0.00 C ATOM 420 CD ARG A 27 60.816 -17.526 24.401 1.00 0.00 C ATOM 421 NE ARG A 27 60.342 -16.464 23.495 1.00 0.00 N ATOM 422 CZ ARG A 27 59.885 -15.253 23.872 1.00 0.00 C ATOM 423 NH1 ARG A 27 59.819 -14.905 25.156 1.00 0.00 N ATOM 424 NH2 ARG A 27 59.491 -14.397 22.943 1.00 0.00 N ATOM 0 H ARG A 27 60.522 -19.174 26.558 1.00 0.00 H new ATOM 0 HA ARG A 27 60.131 -21.072 24.426 1.00 0.00 H new ATOM 0 HB2 ARG A 27 62.549 -19.436 25.290 1.00 0.00 H new ATOM 0 HB3 ARG A 27 62.551 -20.512 23.907 1.00 0.00 H new ATOM 0 HG2 ARG A 27 62.207 -18.360 22.986 1.00 0.00 H new ATOM 0 HG3 ARG A 27 60.622 -19.107 22.953 1.00 0.00 H new ATOM 0 HD2 ARG A 27 59.992 -17.866 25.028 1.00 0.00 H new ATOM 0 HD3 ARG A 27 61.579 -17.124 25.068 1.00 0.00 H new ATOM 0 HE ARG A 27 60.362 -16.663 22.495 1.00 0.00 H new ATOM 0 HH11 ARG A 27 60.118 -15.561 25.878 1.00 0.00 H new ATOM 0 HH12 ARG A 27 59.470 -13.983 25.417 1.00 0.00 H new ATOM 0 HH21 ARG A 27 59.536 -14.657 21.958 1.00 0.00 H new ATOM 0 HH22 ARG A 27 59.143 -13.477 23.212 1.00 0.00 H new ATOM 438 N VAL A 28 60.702 -23.083 25.889 1.00 0.00 N ATOM 439 CA VAL A 28 61.158 -24.418 26.316 1.00 0.00 C ATOM 440 C VAL A 28 61.414 -25.251 25.067 1.00 0.00 C ATOM 441 O VAL A 28 60.997 -24.863 23.975 1.00 0.00 O ATOM 442 CB VAL A 28 60.085 -25.148 27.218 1.00 0.00 C ATOM 443 CG1 VAL A 28 59.924 -24.427 28.570 1.00 0.00 C ATOM 444 CG2 VAL A 28 58.730 -25.268 26.480 1.00 0.00 C ATOM 0 H VAL A 28 59.720 -23.065 25.613 1.00 0.00 H new ATOM 0 HA VAL A 28 62.064 -24.304 26.911 1.00 0.00 H new ATOM 0 HB VAL A 28 60.442 -26.158 27.420 1.00 0.00 H new ATOM 0 HG11 VAL A 28 59.180 -24.947 29.174 1.00 0.00 H new ATOM 0 HG12 VAL A 28 60.879 -24.422 29.096 1.00 0.00 H new ATOM 0 HG13 VAL A 28 59.599 -23.401 28.399 1.00 0.00 H new ATOM 0 HG21 VAL A 28 58.009 -25.774 27.122 1.00 0.00 H new ATOM 0 HG22 VAL A 28 58.360 -24.273 26.234 1.00 0.00 H new ATOM 0 HG23 VAL A 28 58.865 -25.842 25.563 1.00 0.00 H new ATOM 454 N ASN A 29 62.077 -26.404 25.245 1.00 0.00 N ATOM 455 CA ASN A 29 62.337 -27.376 24.158 1.00 0.00 C ATOM 456 C ASN A 29 61.032 -27.798 23.460 1.00 0.00 C ATOM 457 O ASN A 29 59.968 -27.808 24.086 1.00 0.00 O ATOM 458 CB ASN A 29 63.072 -28.634 24.719 1.00 0.00 C ATOM 459 CG ASN A 29 64.489 -28.340 25.221 1.00 0.00 C ATOM 460 OD1 ASN A 29 64.799 -27.242 25.695 1.00 0.00 O ATOM 461 ND2 ASN A 29 65.371 -29.323 25.126 1.00 0.00 N ATOM 0 H ASN A 29 62.452 -26.695 26.148 1.00 0.00 H new ATOM 0 HA ASN A 29 62.974 -26.888 23.421 1.00 0.00 H new ATOM 0 HB2 ASN A 29 62.485 -29.054 25.536 1.00 0.00 H new ATOM 0 HB3 ASN A 29 63.122 -29.394 23.939 1.00 0.00 H new ATOM 0 HD21 ASN A 29 66.329 -29.182 25.448 1.00 0.00 H new ATOM 0 HD22 ASN A 29 65.093 -30.221 24.731 1.00 0.00 H new ATOM 468 N SER A 30 61.117 -28.119 22.151 1.00 0.00 N ATOM 469 CA SER A 30 59.979 -28.657 21.369 1.00 0.00 C ATOM 470 C SER A 30 59.441 -29.974 21.978 1.00 0.00 C ATOM 471 O SER A 30 58.268 -30.320 21.794 1.00 0.00 O ATOM 472 CB SER A 30 60.402 -28.872 19.899 1.00 0.00 C ATOM 473 OG SER A 30 59.308 -29.290 19.094 1.00 0.00 O ATOM 0 H SER A 30 61.973 -28.014 21.607 1.00 0.00 H new ATOM 0 HA SER A 30 59.171 -27.927 21.404 1.00 0.00 H new ATOM 0 HB2 SER A 30 60.815 -27.946 19.500 1.00 0.00 H new ATOM 0 HB3 SER A 30 61.194 -29.620 19.854 1.00 0.00 H new ATOM 0 HG SER A 30 59.611 -29.415 18.170 1.00 0.00 H new ATOM 479 N GLN A 31 60.316 -30.705 22.697 1.00 0.00 N ATOM 480 CA GLN A 31 59.938 -31.899 23.484 1.00 0.00 C ATOM 481 C GLN A 31 58.903 -31.537 24.579 1.00 0.00 C ATOM 482 O GLN A 31 57.978 -32.310 24.872 1.00 0.00 O ATOM 483 CB GLN A 31 61.208 -32.527 24.118 1.00 0.00 C ATOM 484 CG GLN A 31 62.264 -33.007 23.099 1.00 0.00 C ATOM 485 CD GLN A 31 61.774 -34.136 22.182 1.00 0.00 C ATOM 486 OE1 GLN A 31 60.945 -34.966 22.566 1.00 0.00 O ATOM 487 NE2 GLN A 31 62.288 -34.183 20.962 1.00 0.00 N ATOM 0 H GLN A 31 61.310 -30.484 22.749 1.00 0.00 H new ATOM 0 HA GLN A 31 59.474 -32.626 22.818 1.00 0.00 H new ATOM 0 HB2 GLN A 31 61.668 -31.794 24.780 1.00 0.00 H new ATOM 0 HB3 GLN A 31 60.909 -33.373 24.737 1.00 0.00 H new ATOM 0 HG2 GLN A 31 62.573 -32.161 22.485 1.00 0.00 H new ATOM 0 HG3 GLN A 31 63.147 -33.348 23.639 1.00 0.00 H new ATOM 0 HE21 GLN A 31 62.972 -33.485 20.669 1.00 0.00 H new ATOM 0 HE22 GLN A 31 62.000 -34.917 20.315 1.00 0.00 H new ATOM 496 N ALA A 32 59.063 -30.331 25.145 1.00 0.00 N ATOM 497 CA ALA A 32 58.153 -29.763 26.154 1.00 0.00 C ATOM 498 C ALA A 32 57.162 -28.759 25.506 1.00 0.00 C ATOM 499 O ALA A 32 56.701 -27.832 26.176 1.00 0.00 O ATOM 500 CB ALA A 32 58.997 -29.093 27.259 1.00 0.00 C ATOM 0 H ALA A 32 59.840 -29.713 24.912 1.00 0.00 H new ATOM 0 HA ALA A 32 57.551 -30.557 26.596 1.00 0.00 H new ATOM 0 HB1 ALA A 32 58.336 -28.667 28.014 1.00 0.00 H new ATOM 0 HB2 ALA A 32 59.646 -29.836 27.722 1.00 0.00 H new ATOM 0 HB3 ALA A 32 59.606 -28.301 26.822 1.00 0.00 H new ATOM 506 N LEU A 33 56.806 -28.998 24.204 1.00 0.00 N ATOM 507 CA LEU A 33 55.882 -28.135 23.393 1.00 0.00 C ATOM 508 C LEU A 33 54.574 -27.737 24.124 1.00 0.00 C ATOM 509 O LEU A 33 53.981 -26.688 23.831 1.00 0.00 O ATOM 510 CB LEU A 33 55.531 -28.814 22.017 1.00 0.00 C ATOM 511 CG LEU A 33 54.558 -30.051 22.008 1.00 0.00 C ATOM 512 CD1 LEU A 33 54.230 -30.496 20.563 1.00 0.00 C ATOM 513 CD2 LEU A 33 55.104 -31.239 22.830 1.00 0.00 C ATOM 0 H LEU A 33 57.155 -29.802 23.683 1.00 0.00 H new ATOM 0 HA LEU A 33 56.438 -27.213 23.224 1.00 0.00 H new ATOM 0 HB2 LEU A 33 55.098 -28.049 21.372 1.00 0.00 H new ATOM 0 HB3 LEU A 33 56.467 -29.127 21.555 1.00 0.00 H new ATOM 0 HG LEU A 33 53.636 -29.722 22.488 1.00 0.00 H new ATOM 0 HD11 LEU A 33 53.556 -31.352 20.590 1.00 0.00 H new ATOM 0 HD12 LEU A 33 53.752 -29.675 20.029 1.00 0.00 H new ATOM 0 HD13 LEU A 33 55.151 -30.775 20.050 1.00 0.00 H new ATOM 0 HD21 LEU A 33 54.394 -32.065 22.791 1.00 0.00 H new ATOM 0 HD22 LEU A 33 56.059 -31.561 22.414 1.00 0.00 H new ATOM 0 HD23 LEU A 33 55.245 -30.931 23.866 1.00 0.00 H new ATOM 525 N LEU A 34 54.122 -28.596 25.053 1.00 0.00 N ATOM 526 CA LEU A 34 52.955 -28.329 25.905 1.00 0.00 C ATOM 527 C LEU A 34 53.377 -28.380 27.374 1.00 0.00 C ATOM 528 O LEU A 34 53.190 -27.409 28.124 1.00 0.00 O ATOM 529 CB LEU A 34 51.827 -29.362 25.615 1.00 0.00 C ATOM 530 CG LEU A 34 51.184 -29.290 24.192 1.00 0.00 C ATOM 531 CD1 LEU A 34 50.105 -30.380 24.001 1.00 0.00 C ATOM 532 CD2 LEU A 34 50.610 -27.877 23.918 1.00 0.00 C ATOM 0 H LEU A 34 54.560 -29.500 25.234 1.00 0.00 H new ATOM 0 HA LEU A 34 52.564 -27.336 25.685 1.00 0.00 H new ATOM 0 HB2 LEU A 34 52.232 -30.363 25.759 1.00 0.00 H new ATOM 0 HB3 LEU A 34 51.039 -29.228 26.356 1.00 0.00 H new ATOM 0 HG LEU A 34 51.970 -29.482 23.462 1.00 0.00 H new ATOM 0 HD11 LEU A 34 49.680 -30.300 23.001 1.00 0.00 H new ATOM 0 HD12 LEU A 34 50.556 -31.364 24.126 1.00 0.00 H new ATOM 0 HD13 LEU A 34 49.317 -30.246 24.742 1.00 0.00 H new ATOM 0 HD21 LEU A 34 50.168 -27.851 22.922 1.00 0.00 H new ATOM 0 HD22 LEU A 34 49.847 -27.644 24.660 1.00 0.00 H new ATOM 0 HD23 LEU A 34 51.411 -27.141 23.979 1.00 0.00 H new ATOM 544 N GLY A 35 53.961 -29.519 27.760 1.00 0.00 N ATOM 545 CA GLY A 35 54.334 -29.774 29.148 1.00 0.00 C ATOM 546 C GLY A 35 53.114 -29.985 30.049 1.00 0.00 C ATOM 547 O GLY A 35 52.061 -30.435 29.559 1.00 0.00 O ATOM 0 H GLY A 35 54.185 -30.282 27.122 1.00 0.00 H new ATOM 0 HA2 GLY A 35 54.973 -30.656 29.194 1.00 0.00 H new ATOM 0 HA3 GLY A 35 54.920 -28.935 29.524 1.00 0.00 H new ATOM 551 N PRO A 36 53.211 -29.657 31.378 1.00 0.00 N ATOM 552 CA PRO A 36 52.041 -29.676 32.293 1.00 0.00 C ATOM 553 C PRO A 36 51.146 -28.421 32.137 1.00 0.00 C ATOM 554 O PRO A 36 50.019 -28.393 32.637 1.00 0.00 O ATOM 555 CB PRO A 36 52.702 -29.739 33.693 1.00 0.00 C ATOM 556 CG PRO A 36 53.990 -28.984 33.524 1.00 0.00 C ATOM 557 CD PRO A 36 54.461 -29.260 32.101 1.00 0.00 C ATOM 0 HA PRO A 36 51.364 -30.507 32.094 1.00 0.00 H new ATOM 0 HB2 PRO A 36 52.069 -29.282 34.454 1.00 0.00 H new ATOM 0 HB3 PRO A 36 52.881 -30.768 34.003 1.00 0.00 H new ATOM 0 HG2 PRO A 36 53.839 -27.916 33.684 1.00 0.00 H new ATOM 0 HG3 PRO A 36 54.733 -29.313 34.251 1.00 0.00 H new ATOM 0 HD2 PRO A 36 54.918 -28.378 31.653 1.00 0.00 H new ATOM 0 HD3 PRO A 36 55.207 -30.054 32.074 1.00 0.00 H new ATOM 565 N ASP A 37 51.663 -27.396 31.438 1.00 0.00 N ATOM 566 CA ASP A 37 50.970 -26.106 31.242 1.00 0.00 C ATOM 567 C ASP A 37 49.989 -26.197 30.068 1.00 0.00 C ATOM 568 O ASP A 37 48.852 -25.712 30.143 1.00 0.00 O ATOM 569 CB ASP A 37 52.015 -24.991 30.989 1.00 0.00 C ATOM 570 CG ASP A 37 52.966 -24.811 32.181 1.00 0.00 C ATOM 571 OD1 ASP A 37 53.862 -25.670 32.372 1.00 0.00 O ATOM 572 OD2 ASP A 37 52.810 -23.838 32.950 1.00 0.00 O ATOM 0 H ASP A 37 52.578 -27.437 30.990 1.00 0.00 H new ATOM 0 HA ASP A 37 50.402 -25.866 32.141 1.00 0.00 H new ATOM 0 HB2 ASP A 37 52.593 -25.232 30.097 1.00 0.00 H new ATOM 0 HB3 ASP A 37 51.501 -24.051 30.791 1.00 0.00 H new ATOM 577 N GLY A 38 50.462 -26.830 28.979 1.00 0.00 N ATOM 578 CA GLY A 38 49.688 -26.979 27.745 1.00 0.00 C ATOM 579 C GLY A 38 49.678 -25.724 26.880 1.00 0.00 C ATOM 580 O GLY A 38 49.024 -25.703 25.843 1.00 0.00 O ATOM 0 H GLY A 38 51.390 -27.250 28.935 1.00 0.00 H new ATOM 0 HA2 GLY A 38 50.097 -27.807 27.166 1.00 0.00 H new ATOM 0 HA3 GLY A 38 48.662 -27.244 27.999 1.00 0.00 H new ATOM 584 N LYS A 39 50.430 -24.681 27.283 1.00 0.00 N ATOM 585 CA LYS A 39 50.395 -23.361 26.619 1.00 0.00 C ATOM 586 C LYS A 39 51.749 -22.645 26.777 1.00 0.00 C ATOM 587 O LYS A 39 51.906 -21.722 27.582 1.00 0.00 O ATOM 588 CB LYS A 39 49.213 -22.512 27.187 1.00 0.00 C ATOM 589 CG LYS A 39 49.180 -22.417 28.733 1.00 0.00 C ATOM 590 CD LYS A 39 47.971 -21.623 29.262 1.00 0.00 C ATOM 591 CE LYS A 39 46.637 -22.331 28.983 1.00 0.00 C ATOM 592 NZ LYS A 39 45.479 -21.562 29.506 1.00 0.00 N ATOM 0 H LYS A 39 51.075 -24.728 28.072 1.00 0.00 H new ATOM 0 HA LYS A 39 50.224 -23.496 25.551 1.00 0.00 H new ATOM 0 HB2 LYS A 39 49.273 -21.505 26.774 1.00 0.00 H new ATOM 0 HB3 LYS A 39 48.273 -22.942 26.841 1.00 0.00 H new ATOM 0 HG2 LYS A 39 49.159 -23.423 29.153 1.00 0.00 H new ATOM 0 HG3 LYS A 39 50.098 -21.945 29.082 1.00 0.00 H new ATOM 0 HD2 LYS A 39 48.081 -21.472 30.336 1.00 0.00 H new ATOM 0 HD3 LYS A 39 47.958 -20.636 28.801 1.00 0.00 H new ATOM 0 HE2 LYS A 39 46.521 -22.475 27.909 1.00 0.00 H new ATOM 0 HE3 LYS A 39 46.650 -23.321 29.438 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 44.599 -22.075 29.297 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 45.576 -21.446 30.535 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 45.451 -20.626 29.053 1.00 0.00 H new ATOM 606 N VAL A 40 52.744 -23.099 26.008 1.00 0.00 N ATOM 607 CA VAL A 40 54.132 -22.599 26.099 1.00 0.00 C ATOM 608 C VAL A 40 54.751 -22.499 24.696 1.00 0.00 C ATOM 609 O VAL A 40 54.170 -22.977 23.708 1.00 0.00 O ATOM 610 CB VAL A 40 55.042 -23.502 27.033 1.00 0.00 C ATOM 611 CG1 VAL A 40 54.553 -23.511 28.504 1.00 0.00 C ATOM 612 CG2 VAL A 40 55.164 -24.940 26.487 1.00 0.00 C ATOM 0 H VAL A 40 52.616 -23.824 25.302 1.00 0.00 H new ATOM 0 HA VAL A 40 54.088 -21.609 26.552 1.00 0.00 H new ATOM 0 HB VAL A 40 56.034 -23.051 27.025 1.00 0.00 H new ATOM 0 HG11 VAL A 40 55.209 -24.143 29.102 1.00 0.00 H new ATOM 0 HG12 VAL A 40 54.569 -22.495 28.899 1.00 0.00 H new ATOM 0 HG13 VAL A 40 53.536 -23.901 28.547 1.00 0.00 H new ATOM 0 HG21 VAL A 40 55.795 -25.530 27.153 1.00 0.00 H new ATOM 0 HG22 VAL A 40 54.174 -25.393 26.430 1.00 0.00 H new ATOM 0 HG23 VAL A 40 55.610 -24.915 25.493 1.00 0.00 H new ATOM 622 N ILE A 41 55.924 -21.859 24.614 1.00 0.00 N ATOM 623 CA ILE A 41 56.627 -21.653 23.350 1.00 0.00 C ATOM 624 C ILE A 41 57.622 -22.813 23.074 1.00 0.00 C ATOM 625 O ILE A 41 58.488 -23.129 23.895 1.00 0.00 O ATOM 626 CB ILE A 41 57.379 -20.268 23.318 1.00 0.00 C ATOM 627 CG1 ILE A 41 56.379 -19.065 23.400 1.00 0.00 C ATOM 628 CG2 ILE A 41 58.268 -20.155 22.069 1.00 0.00 C ATOM 629 CD1 ILE A 41 57.007 -17.692 23.188 1.00 0.00 C ATOM 0 H ILE A 41 56.409 -21.471 25.423 1.00 0.00 H new ATOM 0 HA ILE A 41 55.875 -21.642 22.561 1.00 0.00 H new ATOM 0 HB ILE A 41 58.019 -20.224 24.199 1.00 0.00 H new ATOM 0 HG12 ILE A 41 55.597 -19.210 22.654 1.00 0.00 H new ATOM 0 HG13 ILE A 41 55.895 -19.080 24.376 1.00 0.00 H new ATOM 0 HG21 ILE A 41 58.776 -19.191 22.070 1.00 0.00 H new ATOM 0 HG22 ILE A 41 59.008 -20.955 22.076 1.00 0.00 H new ATOM 0 HG23 ILE A 41 57.651 -20.239 21.174 1.00 0.00 H new ATOM 0 HD11 ILE A 41 56.237 -16.924 23.263 1.00 0.00 H new ATOM 0 HD12 ILE A 41 57.768 -17.518 23.949 1.00 0.00 H new ATOM 0 HD13 ILE A 41 57.466 -17.650 22.200 1.00 0.00 H new ATOM 641 N ILE A 42 57.453 -23.424 21.896 1.00 0.00 N ATOM 642 CA ILE A 42 58.386 -24.381 21.280 1.00 0.00 C ATOM 643 C ILE A 42 59.719 -23.681 20.991 1.00 0.00 C ATOM 644 O ILE A 42 59.714 -22.570 20.481 1.00 0.00 O ATOM 645 CB ILE A 42 57.797 -24.915 19.892 1.00 0.00 C ATOM 646 CG1 ILE A 42 56.585 -25.887 20.065 1.00 0.00 C ATOM 647 CG2 ILE A 42 58.881 -25.597 19.013 1.00 0.00 C ATOM 648 CD1 ILE A 42 55.401 -25.342 20.818 1.00 0.00 C ATOM 0 H ILE A 42 56.628 -23.260 21.319 1.00 0.00 H new ATOM 0 HA ILE A 42 58.529 -25.215 21.968 1.00 0.00 H new ATOM 0 HB ILE A 42 57.439 -24.020 19.384 1.00 0.00 H new ATOM 0 HG12 ILE A 42 56.249 -26.196 19.075 1.00 0.00 H new ATOM 0 HG13 ILE A 42 56.934 -26.783 20.577 1.00 0.00 H new ATOM 0 HG21 ILE A 42 58.431 -25.942 18.082 1.00 0.00 H new ATOM 0 HG22 ILE A 42 59.672 -24.881 18.790 1.00 0.00 H new ATOM 0 HG23 ILE A 42 59.302 -26.447 19.549 1.00 0.00 H new ATOM 0 HD11 ILE A 42 54.624 -26.104 20.875 1.00 0.00 H new ATOM 0 HD12 ILE A 42 55.708 -25.061 21.825 1.00 0.00 H new ATOM 0 HD13 ILE A 42 55.012 -24.465 20.300 1.00 0.00 H new ATOM 660 N ASP A 43 60.832 -24.339 21.327 1.00 0.00 N ATOM 661 CA ASP A 43 62.164 -23.995 20.813 1.00 0.00 C ATOM 662 C ASP A 43 62.624 -25.177 19.963 1.00 0.00 C ATOM 663 O ASP A 43 62.769 -26.304 20.465 1.00 0.00 O ATOM 664 CB ASP A 43 63.195 -23.714 21.941 1.00 0.00 C ATOM 665 CG ASP A 43 64.529 -23.167 21.378 1.00 0.00 C ATOM 666 OD1 ASP A 43 65.436 -23.975 21.033 1.00 0.00 O ATOM 667 OD2 ASP A 43 64.669 -21.932 21.259 1.00 0.00 O ATOM 0 H ASP A 43 60.836 -25.132 21.968 1.00 0.00 H new ATOM 0 HA ASP A 43 62.100 -23.073 20.235 1.00 0.00 H new ATOM 0 HB2 ASP A 43 62.776 -22.995 22.645 1.00 0.00 H new ATOM 0 HB3 ASP A 43 63.385 -24.632 22.497 1.00 0.00 H new ATOM 672 N HIS A 44 62.786 -24.923 18.667 1.00 0.00 N ATOM 673 CA HIS A 44 63.263 -25.906 17.694 1.00 0.00 C ATOM 674 C HIS A 44 64.454 -25.296 16.949 1.00 0.00 C ATOM 675 O HIS A 44 64.274 -24.628 15.926 1.00 0.00 O ATOM 676 CB HIS A 44 62.103 -26.291 16.735 1.00 0.00 C ATOM 677 CG HIS A 44 62.457 -27.350 15.718 1.00 0.00 C ATOM 678 ND1 HIS A 44 62.859 -27.055 14.435 1.00 0.00 N ATOM 679 CD2 HIS A 44 62.485 -28.703 15.811 1.00 0.00 C ATOM 680 CE1 HIS A 44 63.112 -28.174 13.786 1.00 0.00 C ATOM 681 NE2 HIS A 44 62.890 -29.184 14.595 1.00 0.00 N ATOM 0 H HIS A 44 62.586 -24.012 18.255 1.00 0.00 H new ATOM 0 HA HIS A 44 63.592 -26.823 18.183 1.00 0.00 H new ATOM 0 HB2 HIS A 44 61.259 -26.643 17.329 1.00 0.00 H new ATOM 0 HB3 HIS A 44 61.771 -25.396 16.209 1.00 0.00 H new ATOM 0 HD2 HIS A 44 62.235 -29.291 16.682 1.00 0.00 H new ATOM 0 HE1 HIS A 44 63.446 -28.248 12.761 1.00 0.00 H new ATOM 0 HE2 HIS A 44 63.001 -30.169 14.356 1.00 0.00 H new ATOM 690 N ASN A 45 65.663 -25.474 17.534 1.00 0.00 N ATOM 691 CA ASN A 45 66.941 -24.930 17.011 1.00 0.00 C ATOM 692 C ASN A 45 66.952 -23.368 17.089 1.00 0.00 C ATOM 693 O ASN A 45 67.730 -22.689 16.409 1.00 0.00 O ATOM 694 CB ASN A 45 67.201 -25.463 15.562 1.00 0.00 C ATOM 695 CG ASN A 45 68.642 -25.288 15.065 1.00 0.00 C ATOM 696 OD1 ASN A 45 69.484 -26.164 15.255 1.00 0.00 O ATOM 697 ND2 ASN A 45 68.938 -24.166 14.423 1.00 0.00 N ATOM 0 H ASN A 45 65.780 -26.007 18.395 1.00 0.00 H new ATOM 0 HA ASN A 45 67.763 -25.279 17.636 1.00 0.00 H new ATOM 0 HB2 ASN A 45 66.945 -26.522 15.527 1.00 0.00 H new ATOM 0 HB3 ASN A 45 66.529 -24.950 14.874 1.00 0.00 H new ATOM 0 HD21 ASN A 45 69.884 -24.013 14.073 1.00 0.00 H new ATOM 0 HD22 ASN A 45 68.220 -23.456 14.279 1.00 0.00 H new ATOM 704 N GLY A 46 66.112 -22.804 17.985 1.00 0.00 N ATOM 705 CA GLY A 46 65.951 -21.343 18.107 1.00 0.00 C ATOM 706 C GLY A 46 64.698 -20.813 17.415 1.00 0.00 C ATOM 707 O GLY A 46 64.396 -19.618 17.520 1.00 0.00 O ATOM 0 H GLY A 46 65.536 -23.341 18.633 1.00 0.00 H new ATOM 0 HA2 GLY A 46 65.915 -21.076 19.163 1.00 0.00 H new ATOM 0 HA3 GLY A 46 66.827 -20.851 17.683 1.00 0.00 H new ATOM 711 N GLN A 47 63.966 -21.702 16.705 1.00 0.00 N ATOM 712 CA GLN A 47 62.666 -21.367 16.081 1.00 0.00 C ATOM 713 C GLN A 47 61.577 -21.456 17.145 1.00 0.00 C ATOM 714 O GLN A 47 61.233 -22.561 17.601 1.00 0.00 O ATOM 715 CB GLN A 47 62.342 -22.336 14.906 1.00 0.00 C ATOM 716 CG GLN A 47 63.319 -22.277 13.718 1.00 0.00 C ATOM 717 CD GLN A 47 63.326 -20.918 13.017 1.00 0.00 C ATOM 718 OE1 GLN A 47 62.537 -20.677 12.098 1.00 0.00 O ATOM 719 NE2 GLN A 47 64.220 -20.027 13.416 1.00 0.00 N ATOM 0 H GLN A 47 64.258 -22.667 16.549 1.00 0.00 H new ATOM 0 HA GLN A 47 62.715 -20.357 15.675 1.00 0.00 H new ATOM 0 HB2 GLN A 47 62.325 -23.355 15.291 1.00 0.00 H new ATOM 0 HB3 GLN A 47 61.339 -22.116 14.541 1.00 0.00 H new ATOM 0 HG2 GLN A 47 64.325 -22.503 14.071 1.00 0.00 H new ATOM 0 HG3 GLN A 47 63.053 -23.050 12.997 1.00 0.00 H new ATOM 0 HE21 GLN A 47 64.860 -20.252 14.178 1.00 0.00 H new ATOM 0 HE22 GLN A 47 64.269 -19.115 12.962 1.00 0.00 H new ATOM 728 N GLU A 48 61.060 -20.292 17.560 1.00 0.00 N ATOM 729 CA GLU A 48 60.092 -20.201 18.655 1.00 0.00 C ATOM 730 C GLU A 48 58.648 -20.103 18.120 1.00 0.00 C ATOM 731 O GLU A 48 58.401 -19.381 17.152 1.00 0.00 O ATOM 732 CB GLU A 48 60.447 -19.022 19.593 1.00 0.00 C ATOM 733 CG GLU A 48 60.410 -17.619 18.964 1.00 0.00 C ATOM 734 CD GLU A 48 60.534 -16.515 20.025 1.00 0.00 C ATOM 735 OE1 GLU A 48 61.647 -16.318 20.562 1.00 0.00 O ATOM 736 OE2 GLU A 48 59.517 -15.877 20.367 1.00 0.00 O ATOM 0 H GLU A 48 61.301 -19.391 17.146 1.00 0.00 H new ATOM 0 HA GLU A 48 60.147 -21.118 19.242 1.00 0.00 H new ATOM 0 HB2 GLU A 48 59.758 -19.037 20.438 1.00 0.00 H new ATOM 0 HB3 GLU A 48 61.446 -19.192 19.993 1.00 0.00 H new ATOM 0 HG2 GLU A 48 61.221 -17.523 18.243 1.00 0.00 H new ATOM 0 HG3 GLU A 48 59.478 -17.492 18.414 1.00 0.00 H new ATOM 743 N TYR A 49 57.705 -20.882 18.729 1.00 0.00 N ATOM 744 CA TYR A 49 56.239 -20.832 18.390 1.00 0.00 C ATOM 745 C TYR A 49 55.397 -21.082 19.654 1.00 0.00 C ATOM 746 O TYR A 49 55.574 -22.106 20.293 1.00 0.00 O ATOM 747 CB TYR A 49 55.823 -21.912 17.337 1.00 0.00 C ATOM 748 CG TYR A 49 56.820 -22.157 16.198 1.00 0.00 C ATOM 749 CD1 TYR A 49 56.869 -21.322 15.080 1.00 0.00 C ATOM 750 CD2 TYR A 49 57.723 -23.223 16.255 1.00 0.00 C ATOM 751 CE1 TYR A 49 57.778 -21.548 14.071 1.00 0.00 C ATOM 752 CE2 TYR A 49 58.632 -23.447 15.256 1.00 0.00 C ATOM 753 CZ TYR A 49 58.661 -22.612 14.161 1.00 0.00 C ATOM 754 OH TYR A 49 59.579 -22.824 13.156 1.00 0.00 O ATOM 0 H TYR A 49 57.930 -21.556 19.461 1.00 0.00 H new ATOM 0 HA TYR A 49 56.059 -19.841 17.972 1.00 0.00 H new ATOM 0 HB2 TYR A 49 55.658 -22.855 17.858 1.00 0.00 H new ATOM 0 HB3 TYR A 49 54.868 -21.617 16.901 1.00 0.00 H new ATOM 0 HD1 TYR A 49 56.186 -20.489 15.006 1.00 0.00 H new ATOM 0 HD2 TYR A 49 57.703 -23.886 17.108 1.00 0.00 H new ATOM 0 HE1 TYR A 49 57.803 -20.896 13.210 1.00 0.00 H new ATOM 0 HE2 TYR A 49 59.323 -24.274 15.326 1.00 0.00 H new ATOM 0 HH TYR A 49 60.124 -23.609 13.371 1.00 0.00 H new ATOM 764 N LEU A 50 54.460 -20.185 19.987 1.00 0.00 N ATOM 765 CA LEU A 50 53.555 -20.375 21.145 1.00 0.00 C ATOM 766 C LEU A 50 52.419 -21.358 20.760 1.00 0.00 C ATOM 767 O LEU A 50 51.501 -21.001 20.021 1.00 0.00 O ATOM 768 CB LEU A 50 53.034 -18.972 21.617 1.00 0.00 C ATOM 769 CG LEU A 50 52.060 -18.876 22.863 1.00 0.00 C ATOM 770 CD1 LEU A 50 50.583 -19.120 22.486 1.00 0.00 C ATOM 771 CD2 LEU A 50 52.490 -19.821 24.010 1.00 0.00 C ATOM 0 H LEU A 50 54.303 -19.317 19.475 1.00 0.00 H new ATOM 0 HA LEU A 50 54.080 -20.824 21.988 1.00 0.00 H new ATOM 0 HB2 LEU A 50 53.907 -18.358 21.838 1.00 0.00 H new ATOM 0 HB3 LEU A 50 52.526 -18.511 20.770 1.00 0.00 H new ATOM 0 HG LEU A 50 52.139 -17.850 23.221 1.00 0.00 H new ATOM 0 HD11 LEU A 50 49.962 -19.042 23.378 1.00 0.00 H new ATOM 0 HD12 LEU A 50 50.266 -18.375 21.757 1.00 0.00 H new ATOM 0 HD13 LEU A 50 50.477 -20.116 22.056 1.00 0.00 H new ATOM 0 HD21 LEU A 50 51.794 -19.722 24.843 1.00 0.00 H new ATOM 0 HD22 LEU A 50 52.485 -20.851 23.654 1.00 0.00 H new ATOM 0 HD23 LEU A 50 53.494 -19.557 24.342 1.00 0.00 H new ATOM 783 N LEU A 51 52.526 -22.615 21.226 1.00 0.00 N ATOM 784 CA LEU A 51 51.461 -23.626 21.075 1.00 0.00 C ATOM 785 C LEU A 51 50.638 -23.652 22.362 1.00 0.00 C ATOM 786 O LEU A 51 51.206 -23.690 23.470 1.00 0.00 O ATOM 787 CB LEU A 51 52.050 -25.027 20.781 1.00 0.00 C ATOM 788 CG LEU A 51 51.038 -26.197 20.521 1.00 0.00 C ATOM 789 CD1 LEU A 51 50.156 -25.932 19.282 1.00 0.00 C ATOM 790 CD2 LEU A 51 51.783 -27.547 20.388 1.00 0.00 C ATOM 0 H LEU A 51 53.351 -22.959 21.717 1.00 0.00 H new ATOM 0 HA LEU A 51 50.829 -23.360 20.228 1.00 0.00 H new ATOM 0 HB2 LEU A 51 52.699 -24.943 19.909 1.00 0.00 H new ATOM 0 HB3 LEU A 51 52.682 -25.310 21.623 1.00 0.00 H new ATOM 0 HG LEU A 51 50.375 -26.251 21.384 1.00 0.00 H new ATOM 0 HD11 LEU A 51 49.470 -26.767 19.138 1.00 0.00 H new ATOM 0 HD12 LEU A 51 49.586 -25.015 19.431 1.00 0.00 H new ATOM 0 HD13 LEU A 51 50.789 -25.827 18.401 1.00 0.00 H new ATOM 0 HD21 LEU A 51 51.062 -28.344 20.208 1.00 0.00 H new ATOM 0 HD22 LEU A 51 52.483 -27.496 19.554 1.00 0.00 H new ATOM 0 HD23 LEU A 51 52.330 -27.753 21.308 1.00 0.00 H new ATOM 802 N ARG A 52 49.305 -23.621 22.213 1.00 0.00 N ATOM 803 CA ARG A 52 48.379 -23.538 23.344 1.00 0.00 C ATOM 804 C ARG A 52 47.166 -24.461 23.139 1.00 0.00 C ATOM 805 O ARG A 52 46.628 -24.566 22.025 1.00 0.00 O ATOM 806 CB ARG A 52 47.956 -22.057 23.538 1.00 0.00 C ATOM 807 CG ARG A 52 47.219 -21.431 22.335 1.00 0.00 C ATOM 808 CD ARG A 52 46.979 -19.917 22.485 1.00 0.00 C ATOM 809 NE ARG A 52 46.004 -19.584 23.535 1.00 0.00 N ATOM 810 CZ ARG A 52 45.677 -18.332 23.918 1.00 0.00 C ATOM 811 NH1 ARG A 52 46.218 -17.267 23.328 1.00 0.00 N ATOM 812 NH2 ARG A 52 44.798 -18.152 24.892 1.00 0.00 N ATOM 0 H ARG A 52 48.843 -23.653 21.304 1.00 0.00 H new ATOM 0 HA ARG A 52 48.877 -23.883 24.250 1.00 0.00 H new ATOM 0 HB2 ARG A 52 47.313 -21.990 24.415 1.00 0.00 H new ATOM 0 HB3 ARG A 52 48.846 -21.464 23.749 1.00 0.00 H new ATOM 0 HG2 ARG A 52 47.798 -21.612 21.430 1.00 0.00 H new ATOM 0 HG3 ARG A 52 46.260 -21.932 22.205 1.00 0.00 H new ATOM 0 HD2 ARG A 52 47.926 -19.426 22.709 1.00 0.00 H new ATOM 0 HD3 ARG A 52 46.630 -19.515 21.534 1.00 0.00 H new ATOM 0 HE ARG A 52 45.540 -20.358 24.010 1.00 0.00 H new ATOM 0 HH11 ARG A 52 46.892 -17.390 22.573 1.00 0.00 H new ATOM 0 HH12 ARG A 52 45.958 -16.329 23.632 1.00 0.00 H new ATOM 0 HH21 ARG A 52 44.371 -18.958 25.349 1.00 0.00 H new ATOM 0 HH22 ARG A 52 44.548 -17.208 25.185 1.00 0.00 H new ATOM 826 N LYS A 53 46.769 -25.155 24.222 1.00 0.00 N ATOM 827 CA LYS A 53 45.568 -26.001 24.256 1.00 0.00 C ATOM 828 C LYS A 53 44.363 -25.099 24.496 1.00 0.00 C ATOM 829 O LYS A 53 44.122 -24.670 25.627 1.00 0.00 O ATOM 830 CB LYS A 53 45.667 -27.088 25.369 1.00 0.00 C ATOM 831 CG LYS A 53 46.811 -28.108 25.175 1.00 0.00 C ATOM 832 CD LYS A 53 46.875 -29.163 26.302 1.00 0.00 C ATOM 833 CE LYS A 53 45.622 -30.049 26.363 1.00 0.00 C ATOM 834 NZ LYS A 53 45.642 -30.952 27.541 1.00 0.00 N ATOM 0 H LYS A 53 47.280 -25.142 25.105 1.00 0.00 H new ATOM 0 HA LYS A 53 45.467 -26.527 23.307 1.00 0.00 H new ATOM 0 HB2 LYS A 53 45.799 -26.593 26.331 1.00 0.00 H new ATOM 0 HB3 LYS A 53 44.721 -27.628 25.416 1.00 0.00 H new ATOM 0 HG2 LYS A 53 46.681 -28.614 24.218 1.00 0.00 H new ATOM 0 HG3 LYS A 53 47.761 -27.576 25.128 1.00 0.00 H new ATOM 0 HD2 LYS A 53 47.752 -29.793 26.154 1.00 0.00 H new ATOM 0 HD3 LYS A 53 47.003 -28.658 27.259 1.00 0.00 H new ATOM 0 HE2 LYS A 53 44.733 -29.419 26.403 1.00 0.00 H new ATOM 0 HE3 LYS A 53 45.552 -30.642 25.451 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 44.780 -31.534 27.547 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 46.477 -31.570 27.490 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 45.683 -30.385 28.412 1.00 0.00 H new ATOM 848 N THR A 54 43.658 -24.772 23.409 1.00 0.00 N ATOM 849 CA THR A 54 42.497 -23.880 23.437 1.00 0.00 C ATOM 850 C THR A 54 41.347 -24.562 24.195 1.00 0.00 C ATOM 851 O THR A 54 41.149 -25.788 24.036 1.00 0.00 O ATOM 852 CB THR A 54 42.024 -23.510 21.986 1.00 0.00 C ATOM 853 OG1 THR A 54 41.347 -24.615 21.393 1.00 0.00 O ATOM 854 CG2 THR A 54 43.200 -23.122 21.093 1.00 0.00 C ATOM 0 H THR A 54 43.880 -25.122 22.477 1.00 0.00 H new ATOM 0 HA THR A 54 42.786 -22.959 23.944 1.00 0.00 H new ATOM 0 HB THR A 54 41.351 -22.657 22.073 1.00 0.00 H new ATOM 0 HG1 THR A 54 40.753 -24.292 20.684 1.00 0.00 H new ATOM 0 HG21 THR A 54 42.834 -22.873 20.097 1.00 0.00 H new ATOM 0 HG22 THR A 54 43.711 -22.258 21.519 1.00 0.00 H new ATOM 0 HG23 THR A 54 43.896 -23.958 21.025 1.00 0.00 H new ATOM 862 N GLN A 55 40.592 -23.750 24.973 1.00 0.00 N ATOM 863 CA GLN A 55 39.434 -24.206 25.788 1.00 0.00 C ATOM 864 C GLN A 55 38.286 -24.750 24.909 1.00 0.00 C ATOM 865 O GLN A 55 37.397 -25.448 25.408 1.00 0.00 O ATOM 866 CB GLN A 55 38.921 -23.044 26.695 1.00 0.00 C ATOM 867 CG GLN A 55 39.956 -22.517 27.716 1.00 0.00 C ATOM 868 CD GLN A 55 40.379 -23.561 28.755 1.00 0.00 C ATOM 869 OE1 GLN A 55 41.340 -24.311 28.560 1.00 0.00 O ATOM 870 NE2 GLN A 55 39.674 -23.614 29.874 1.00 0.00 N ATOM 0 H GLN A 55 40.770 -22.749 25.055 1.00 0.00 H new ATOM 0 HA GLN A 55 39.779 -25.027 26.417 1.00 0.00 H new ATOM 0 HB2 GLN A 55 38.605 -22.217 26.059 1.00 0.00 H new ATOM 0 HB3 GLN A 55 38.039 -23.386 27.236 1.00 0.00 H new ATOM 0 HG2 GLN A 55 40.840 -22.172 27.180 1.00 0.00 H new ATOM 0 HG3 GLN A 55 39.538 -21.652 28.231 1.00 0.00 H new ATOM 0 HE21 GLN A 55 38.884 -22.983 30.010 1.00 0.00 H new ATOM 0 HE22 GLN A 55 39.920 -24.286 30.601 1.00 0.00 H new ATOM 879 N ALA A 56 38.329 -24.431 23.594 1.00 0.00 N ATOM 880 CA ALA A 56 37.428 -25.004 22.570 1.00 0.00 C ATOM 881 C ALA A 56 37.693 -26.518 22.325 1.00 0.00 C ATOM 882 O ALA A 56 36.921 -27.186 21.607 1.00 0.00 O ATOM 883 CB ALA A 56 37.571 -24.213 21.259 1.00 0.00 C ATOM 0 H ALA A 56 38.997 -23.762 23.212 1.00 0.00 H new ATOM 0 HA ALA A 56 36.407 -24.921 22.942 1.00 0.00 H new ATOM 0 HB1 ALA A 56 36.907 -24.636 20.505 1.00 0.00 H new ATOM 0 HB2 ALA A 56 37.306 -23.170 21.433 1.00 0.00 H new ATOM 0 HB3 ALA A 56 38.602 -24.272 20.909 1.00 0.00 H new ATOM 889 N GLY A 57 38.779 -27.038 22.940 1.00 0.00 N ATOM 890 CA GLY A 57 39.178 -28.439 22.832 1.00 0.00 C ATOM 891 C GLY A 57 40.078 -28.682 21.640 1.00 0.00 C ATOM 892 O GLY A 57 39.924 -29.674 20.930 1.00 0.00 O ATOM 0 H GLY A 57 39.401 -26.483 23.528 1.00 0.00 H new ATOM 0 HA2 GLY A 57 39.694 -28.740 23.743 1.00 0.00 H new ATOM 0 HA3 GLY A 57 38.289 -29.064 22.748 1.00 0.00 H new ATOM 896 N LYS A 58 41.043 -27.760 21.426 1.00 0.00 N ATOM 897 CA LYS A 58 41.917 -27.760 20.214 1.00 0.00 C ATOM 898 C LYS A 58 43.363 -27.374 20.591 1.00 0.00 C ATOM 899 O LYS A 58 43.656 -27.086 21.753 1.00 0.00 O ATOM 900 CB LYS A 58 41.369 -26.743 19.158 1.00 0.00 C ATOM 901 CG LYS A 58 39.924 -26.996 18.644 1.00 0.00 C ATOM 902 CD LYS A 58 39.286 -25.731 18.000 1.00 0.00 C ATOM 903 CE LYS A 58 40.144 -25.113 16.892 1.00 0.00 C ATOM 904 NZ LYS A 58 39.524 -23.886 16.322 1.00 0.00 N ATOM 0 H LYS A 58 41.243 -27.000 22.076 1.00 0.00 H new ATOM 0 HA LYS A 58 41.915 -28.764 19.789 1.00 0.00 H new ATOM 0 HB2 LYS A 58 41.408 -25.744 19.593 1.00 0.00 H new ATOM 0 HB3 LYS A 58 42.042 -26.744 18.301 1.00 0.00 H new ATOM 0 HG2 LYS A 58 39.939 -27.803 17.912 1.00 0.00 H new ATOM 0 HG3 LYS A 58 39.301 -27.330 19.474 1.00 0.00 H new ATOM 0 HD2 LYS A 58 38.311 -25.994 17.590 1.00 0.00 H new ATOM 0 HD3 LYS A 58 39.115 -24.985 18.776 1.00 0.00 H new ATOM 0 HE2 LYS A 58 41.129 -24.869 17.290 1.00 0.00 H new ATOM 0 HE3 LYS A 58 40.293 -25.845 16.099 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 40.138 -23.501 15.576 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 38.595 -24.122 15.918 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 39.405 -23.176 17.073 1.00 0.00 H new ATOM 918 N LEU A 59 44.250 -27.386 19.580 1.00 0.00 N ATOM 919 CA LEU A 59 45.627 -26.834 19.658 1.00 0.00 C ATOM 920 C LEU A 59 45.743 -25.628 18.710 1.00 0.00 C ATOM 921 O LEU A 59 45.163 -25.638 17.620 1.00 0.00 O ATOM 922 CB LEU A 59 46.700 -27.914 19.312 1.00 0.00 C ATOM 923 CG LEU A 59 47.068 -28.901 20.464 1.00 0.00 C ATOM 924 CD1 LEU A 59 48.080 -29.962 19.993 1.00 0.00 C ATOM 925 CD2 LEU A 59 47.611 -28.135 21.689 1.00 0.00 C ATOM 0 H LEU A 59 44.032 -27.785 18.667 1.00 0.00 H new ATOM 0 HA LEU A 59 45.816 -26.513 20.682 1.00 0.00 H new ATOM 0 HB2 LEU A 59 46.342 -28.495 18.462 1.00 0.00 H new ATOM 0 HB3 LEU A 59 47.609 -27.406 18.991 1.00 0.00 H new ATOM 0 HG LEU A 59 46.156 -29.420 20.759 1.00 0.00 H new ATOM 0 HD11 LEU A 59 48.315 -30.633 20.819 1.00 0.00 H new ATOM 0 HD12 LEU A 59 47.651 -30.535 19.171 1.00 0.00 H new ATOM 0 HD13 LEU A 59 48.992 -29.470 19.655 1.00 0.00 H new ATOM 0 HD21 LEU A 59 47.861 -28.843 22.479 1.00 0.00 H new ATOM 0 HD22 LEU A 59 48.504 -27.579 21.404 1.00 0.00 H new ATOM 0 HD23 LEU A 59 46.852 -27.441 22.050 1.00 0.00 H new ATOM 937 N LEU A 60 46.506 -24.602 19.120 1.00 0.00 N ATOM 938 CA LEU A 60 46.676 -23.359 18.349 1.00 0.00 C ATOM 939 C LEU A 60 48.180 -23.016 18.301 1.00 0.00 C ATOM 940 O LEU A 60 48.764 -22.637 19.328 1.00 0.00 O ATOM 941 CB LEU A 60 45.861 -22.219 19.010 1.00 0.00 C ATOM 942 CG LEU A 60 45.602 -20.949 18.153 1.00 0.00 C ATOM 943 CD1 LEU A 60 44.713 -21.258 16.932 1.00 0.00 C ATOM 944 CD2 LEU A 60 44.996 -19.818 19.009 1.00 0.00 C ATOM 0 H LEU A 60 47.024 -24.611 19.998 1.00 0.00 H new ATOM 0 HA LEU A 60 46.307 -23.485 17.331 1.00 0.00 H new ATOM 0 HB2 LEU A 60 44.896 -22.625 19.315 1.00 0.00 H new ATOM 0 HB3 LEU A 60 46.380 -21.914 19.919 1.00 0.00 H new ATOM 0 HG LEU A 60 46.566 -20.607 17.775 1.00 0.00 H new ATOM 0 HD11 LEU A 60 44.554 -20.346 16.357 1.00 0.00 H new ATOM 0 HD12 LEU A 60 45.203 -22.002 16.304 1.00 0.00 H new ATOM 0 HD13 LEU A 60 43.752 -21.646 17.270 1.00 0.00 H new ATOM 0 HD21 LEU A 60 44.825 -18.941 18.385 1.00 0.00 H new ATOM 0 HD22 LEU A 60 44.049 -20.151 19.434 1.00 0.00 H new ATOM 0 HD23 LEU A 60 45.685 -19.562 19.814 1.00 0.00 H new ATOM 956 N LEU A 61 48.803 -23.246 17.132 1.00 0.00 N ATOM 957 CA LEU A 61 50.225 -22.953 16.885 1.00 0.00 C ATOM 958 C LEU A 61 50.305 -21.511 16.363 1.00 0.00 C ATOM 959 O LEU A 61 49.966 -21.241 15.205 1.00 0.00 O ATOM 960 CB LEU A 61 50.805 -23.996 15.865 1.00 0.00 C ATOM 961 CG LEU A 61 52.375 -24.132 15.729 1.00 0.00 C ATOM 962 CD1 LEU A 61 53.033 -22.927 15.008 1.00 0.00 C ATOM 963 CD2 LEU A 61 53.028 -24.378 17.112 1.00 0.00 C ATOM 0 H LEU A 61 48.327 -23.645 16.323 1.00 0.00 H new ATOM 0 HA LEU A 61 50.825 -23.036 17.791 1.00 0.00 H new ATOM 0 HB2 LEU A 61 50.410 -24.976 16.134 1.00 0.00 H new ATOM 0 HB3 LEU A 61 50.408 -23.751 14.880 1.00 0.00 H new ATOM 0 HG LEU A 61 52.556 -25.000 15.095 1.00 0.00 H new ATOM 0 HD11 LEU A 61 54.110 -23.083 14.948 1.00 0.00 H new ATOM 0 HD12 LEU A 61 52.623 -22.836 14.002 1.00 0.00 H new ATOM 0 HD13 LEU A 61 52.829 -22.013 15.567 1.00 0.00 H new ATOM 0 HD21 LEU A 61 54.108 -24.468 16.994 1.00 0.00 H new ATOM 0 HD22 LEU A 61 52.804 -23.541 17.774 1.00 0.00 H new ATOM 0 HD23 LEU A 61 52.632 -25.298 17.543 1.00 0.00 H new ATOM 975 N THR A 62 50.695 -20.590 17.243 1.00 0.00 N ATOM 976 CA THR A 62 50.748 -19.153 16.954 1.00 0.00 C ATOM 977 C THR A 62 52.117 -18.594 17.342 1.00 0.00 C ATOM 978 O THR A 62 52.539 -18.739 18.485 1.00 0.00 O ATOM 979 CB THR A 62 49.633 -18.372 17.744 1.00 0.00 C ATOM 980 OG1 THR A 62 49.660 -18.721 19.146 1.00 0.00 O ATOM 981 CG2 THR A 62 48.229 -18.642 17.190 1.00 0.00 C ATOM 0 H THR A 62 50.988 -20.822 18.192 1.00 0.00 H new ATOM 0 HA THR A 62 50.579 -19.021 15.885 1.00 0.00 H new ATOM 0 HB THR A 62 49.852 -17.311 17.620 1.00 0.00 H new ATOM 0 HG1 THR A 62 50.571 -18.976 19.402 1.00 0.00 H new ATOM 0 HG21 THR A 62 47.495 -18.081 17.769 1.00 0.00 H new ATOM 0 HG22 THR A 62 48.184 -18.331 16.146 1.00 0.00 H new ATOM 0 HG23 THR A 62 48.009 -19.707 17.261 1.00 0.00 H new ATOM 989 N LYS A 63 52.810 -17.980 16.386 1.00 0.00 N ATOM 990 CA LYS A 63 54.007 -17.200 16.634 1.00 0.00 C ATOM 991 C LYS A 63 53.599 -15.703 16.622 1.00 0.00 C ATOM 992 O LYS A 63 53.493 -15.099 17.708 1.00 0.00 O ATOM 993 CB LYS A 63 55.079 -17.558 15.560 1.00 0.00 C ATOM 994 CG LYS A 63 56.296 -16.624 15.539 1.00 0.00 C ATOM 995 CD LYS A 63 57.026 -16.537 16.902 1.00 0.00 C ATOM 996 CE LYS A 63 58.139 -15.486 16.907 1.00 0.00 C ATOM 997 NZ LYS A 63 57.607 -14.120 16.691 1.00 0.00 N ATOM 998 OXT LYS A 63 53.317 -15.160 15.530 1.00 0.00 O ATOM 0 H LYS A 63 52.546 -18.015 15.401 1.00 0.00 H new ATOM 0 HA LYS A 63 54.455 -17.420 17.603 1.00 0.00 H new ATOM 0 HB2 LYS A 63 55.423 -18.578 15.734 1.00 0.00 H new ATOM 0 HB3 LYS A 63 54.609 -17.543 14.577 1.00 0.00 H new ATOM 0 HG2 LYS A 63 56.998 -16.970 14.780 1.00 0.00 H new ATOM 0 HG3 LYS A 63 55.974 -15.626 15.243 1.00 0.00 H new ATOM 0 HD2 LYS A 63 56.303 -16.299 17.683 1.00 0.00 H new ATOM 0 HD3 LYS A 63 57.450 -17.511 17.146 1.00 0.00 H new ATOM 0 HE2 LYS A 63 58.670 -15.523 17.858 1.00 0.00 H new ATOM 0 HE3 LYS A 63 58.864 -15.721 16.128 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 58.338 -13.421 16.933 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 57.337 -14.007 15.693 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 56.773 -13.973 17.295 1.00 0.00 H new