USER MOD reduce.3.24.130724 H: found=0, std=0, add=465, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 465 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 23 SER OG : rot 180:sc= 0 USER MOD Single : A 25 TYR OH : rot 180:sc= -0.0029 USER MOD Single : A 32 THR OG1 : rot 164:sc= -0.363! USER MOD Single : A 33 GLN : amide:sc= -0.271 X(o=-0.27,f=0) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 GLN : amide:sc= -5.14! C(o=-5.1!,f=-9.3!) USER MOD Single : A 40 ASN : amide:sc= -0.147 X(o=-0.15,f=-0.53) USER MOD Single : A 42 ASN : amide:sc= -0.137 K(o=-0.14,f=-2.4!) USER MOD Single : A 44 THR OG1 : rot 180:sc= -0.0165 USER MOD Single : A 49 SER OG : rot -62:sc= 0.558 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 55 MET CE :methyl 166:sc= -0.154 (180deg=-0.24) USER MOD Single : A 63 GLN : amide:sc= -1.24 K(o=-1.2,f=-0.18) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 GLN : amide:sc= -0.877 K(o=-0.88,f=-2.8!) USER MOD Single : A 67 TYR OH : rot 165:sc= 0 USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 THR OG1 : rot 87:sc= 1.02 USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 306 N PRO A 21 -3.420 2.847 5.571 1.00 0.00 N ATOM 307 CA PRO A 21 -4.369 3.885 5.159 1.00 0.00 C ATOM 308 C PRO A 21 -4.786 4.783 6.318 1.00 0.00 C ATOM 309 O PRO A 21 -4.457 4.516 7.473 1.00 0.00 O ATOM 310 CB PRO A 21 -5.568 3.084 4.644 1.00 0.00 C ATOM 311 CG PRO A 21 -5.485 1.778 5.357 1.00 0.00 C ATOM 312 CD PRO A 21 -4.019 1.503 5.547 1.00 0.00 C ATOM 0 HA PRO A 21 -3.939 4.560 4.418 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -6.507 3.594 4.860 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -5.519 2.949 3.563 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -6.001 1.823 6.316 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -5.959 0.986 4.777 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -3.829 0.962 6.474 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -3.615 0.898 4.735 1.00 0.00 H new ATOM 320 N VAL A 22 -5.514 5.850 6.002 1.00 0.00 N ATOM 321 CA VAL A 22 -5.977 6.788 7.017 1.00 0.00 C ATOM 322 C VAL A 22 -7.499 6.782 7.117 1.00 0.00 C ATOM 323 O VAL A 22 -8.193 6.466 6.151 1.00 0.00 O ATOM 324 CB VAL A 22 -5.499 8.221 6.719 1.00 0.00 C ATOM 325 CG1 VAL A 22 -3.988 8.255 6.549 1.00 0.00 C ATOM 326 CG2 VAL A 22 -6.195 8.767 5.481 1.00 0.00 C ATOM 0 H VAL A 22 -5.796 6.086 5.050 1.00 0.00 H new ATOM 0 HA VAL A 22 -5.551 6.462 7.966 1.00 0.00 H new ATOM 0 HB VAL A 22 -5.760 8.856 7.565 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -3.668 9.276 6.339 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -3.511 7.907 7.465 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -3.700 7.607 5.721 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -5.846 9.781 5.285 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -5.966 8.132 4.625 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -7.272 8.780 5.645 1.00 0.00 H new ATOM 336 N SER A 23 -8.010 7.133 8.292 1.00 0.00 N ATOM 337 CA SER A 23 -9.450 7.166 8.520 1.00 0.00 C ATOM 338 C SER A 23 -10.164 7.895 7.386 1.00 0.00 C ATOM 339 O SER A 23 -9.532 8.568 6.572 1.00 0.00 O ATOM 340 CB SER A 23 -9.762 7.846 9.855 1.00 0.00 C ATOM 341 OG SER A 23 -10.258 6.913 10.799 1.00 0.00 O ATOM 0 H SER A 23 -7.449 7.399 9.101 1.00 0.00 H new ATOM 0 HA SER A 23 -9.811 6.138 8.551 1.00 0.00 H new ATOM 0 HB2 SER A 23 -8.861 8.319 10.245 1.00 0.00 H new ATOM 0 HB3 SER A 23 -10.496 8.637 9.701 1.00 0.00 H new ATOM 0 HG SER A 23 -10.448 7.372 11.644 1.00 0.00 H new ATOM 347 N ALA A 24 -11.484 7.755 7.339 1.00 0.00 N ATOM 348 CA ALA A 24 -12.285 8.402 6.307 1.00 0.00 C ATOM 349 C ALA A 24 -12.003 9.900 6.251 1.00 0.00 C ATOM 350 O ALA A 24 -11.570 10.422 5.224 1.00 0.00 O ATOM 351 CB ALA A 24 -13.765 8.150 6.552 1.00 0.00 C ATOM 0 H ALA A 24 -12.022 7.199 8.004 1.00 0.00 H new ATOM 0 HA ALA A 24 -12.009 7.971 5.345 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -14.351 8.639 5.774 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -13.960 7.078 6.533 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -14.046 8.553 7.525 1.00 0.00 H new ATOM 357 N TYR A 25 -12.252 10.585 7.361 1.00 0.00 N ATOM 358 CA TYR A 25 -12.028 12.024 7.438 1.00 0.00 C ATOM 359 C TYR A 25 -10.562 12.361 7.185 1.00 0.00 C ATOM 360 O TYR A 25 -10.225 13.491 6.834 1.00 0.00 O ATOM 361 CB TYR A 25 -12.457 12.556 8.806 1.00 0.00 C ATOM 362 CG TYR A 25 -11.818 13.878 9.169 1.00 0.00 C ATOM 363 CD1 TYR A 25 -11.918 14.976 8.324 1.00 0.00 C ATOM 364 CD2 TYR A 25 -11.115 14.028 10.358 1.00 0.00 C ATOM 365 CE1 TYR A 25 -11.335 16.185 8.651 1.00 0.00 C ATOM 366 CE2 TYR A 25 -10.530 15.234 10.695 1.00 0.00 C ATOM 367 CZ TYR A 25 -10.643 16.309 9.838 1.00 0.00 C ATOM 368 OH TYR A 25 -10.062 17.512 10.168 1.00 0.00 O ATOM 0 H TYR A 25 -12.609 10.167 8.220 1.00 0.00 H new ATOM 0 HA TYR A 25 -12.630 12.502 6.665 1.00 0.00 H new ATOM 0 HB2 TYR A 25 -13.541 12.670 8.818 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -12.205 11.819 9.568 1.00 0.00 H new ATOM 0 HD1 TYR A 25 -12.461 14.883 7.395 1.00 0.00 H new ATOM 0 HD2 TYR A 25 -11.024 13.188 11.030 1.00 0.00 H new ATOM 0 HE1 TYR A 25 -11.420 17.028 7.981 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -9.988 15.334 11.624 1.00 0.00 H new ATOM 0 HH TYR A 25 -9.614 17.432 11.036 1.00 0.00 H new ATOM 378 N ALA A 26 -9.694 11.371 7.366 1.00 0.00 N ATOM 379 CA ALA A 26 -8.264 11.560 7.156 1.00 0.00 C ATOM 380 C ALA A 26 -7.913 11.487 5.674 1.00 0.00 C ATOM 381 O ALA A 26 -7.041 12.214 5.196 1.00 0.00 O ATOM 382 CB ALA A 26 -7.474 10.522 7.939 1.00 0.00 C ATOM 0 H ALA A 26 -9.956 10.430 7.658 1.00 0.00 H new ATOM 0 HA ALA A 26 -7.997 12.553 7.518 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -6.408 10.675 7.773 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -7.694 10.623 9.002 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -7.754 9.523 7.604 1.00 0.00 H new ATOM 388 N LEU A 27 -8.596 10.606 4.951 1.00 0.00 N ATOM 389 CA LEU A 27 -8.355 10.438 3.523 1.00 0.00 C ATOM 390 C LEU A 27 -8.522 11.762 2.783 1.00 0.00 C ATOM 391 O LEU A 27 -7.852 12.014 1.781 1.00 0.00 O ATOM 392 CB LEU A 27 -9.311 9.394 2.944 1.00 0.00 C ATOM 393 CG LEU A 27 -8.722 8.002 2.708 1.00 0.00 C ATOM 394 CD1 LEU A 27 -9.794 6.935 2.868 1.00 0.00 C ATOM 395 CD2 LEU A 27 -8.086 7.920 1.328 1.00 0.00 C ATOM 0 H LEU A 27 -9.321 9.997 5.331 1.00 0.00 H new ATOM 0 HA LEU A 27 -7.329 10.096 3.391 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -10.162 9.297 3.618 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -9.696 9.769 1.996 1.00 0.00 H new ATOM 0 HG LEU A 27 -7.948 7.824 3.454 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -9.357 5.951 2.697 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -10.204 6.979 3.877 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -10.591 7.109 2.145 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -7.672 6.923 1.177 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -8.841 8.119 0.567 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -7.289 8.659 1.250 1.00 0.00 H new ATOM 407 N PHE A 28 -9.418 12.605 3.285 1.00 0.00 N ATOM 408 CA PHE A 28 -9.672 13.904 2.672 1.00 0.00 C ATOM 409 C PHE A 28 -8.673 14.945 3.170 1.00 0.00 C ATOM 410 O PHE A 28 -8.498 15.997 2.556 1.00 0.00 O ATOM 411 CB PHE A 28 -11.099 14.365 2.976 1.00 0.00 C ATOM 412 CG PHE A 28 -11.341 15.814 2.664 1.00 0.00 C ATOM 413 CD1 PHE A 28 -11.408 16.252 1.351 1.00 0.00 C ATOM 414 CD2 PHE A 28 -11.501 16.738 3.684 1.00 0.00 C ATOM 415 CE1 PHE A 28 -11.630 17.585 1.062 1.00 0.00 C ATOM 416 CE2 PHE A 28 -11.723 18.073 3.400 1.00 0.00 C ATOM 417 CZ PHE A 28 -11.789 18.496 2.087 1.00 0.00 C ATOM 0 H PHE A 28 -9.980 12.412 4.114 1.00 0.00 H new ATOM 0 HA PHE A 28 -9.553 13.798 1.594 1.00 0.00 H new ATOM 0 HB2 PHE A 28 -11.799 13.757 2.403 1.00 0.00 H new ATOM 0 HB3 PHE A 28 -11.312 14.188 4.030 1.00 0.00 H new ATOM 0 HD1 PHE A 28 -11.285 15.544 0.545 1.00 0.00 H new ATOM 0 HD2 PHE A 28 -11.452 16.412 4.712 1.00 0.00 H new ATOM 0 HE1 PHE A 28 -11.679 17.914 0.035 1.00 0.00 H new ATOM 0 HE2 PHE A 28 -11.845 18.784 4.204 1.00 0.00 H new ATOM 0 HZ PHE A 28 -11.965 19.538 1.862 1.00 0.00 H new ATOM 427 N PHE A 29 -8.021 14.643 4.288 1.00 0.00 N ATOM 428 CA PHE A 29 -7.040 15.552 4.870 1.00 0.00 C ATOM 429 C PHE A 29 -5.726 15.501 4.097 1.00 0.00 C ATOM 430 O PHE A 29 -5.132 16.536 3.793 1.00 0.00 O ATOM 431 CB PHE A 29 -6.795 15.198 6.339 1.00 0.00 C ATOM 432 CG PHE A 29 -5.953 16.207 7.065 1.00 0.00 C ATOM 433 CD1 PHE A 29 -4.571 16.170 6.974 1.00 0.00 C ATOM 434 CD2 PHE A 29 -6.543 17.193 7.840 1.00 0.00 C ATOM 435 CE1 PHE A 29 -3.792 17.097 7.641 1.00 0.00 C ATOM 436 CE2 PHE A 29 -5.770 18.123 8.509 1.00 0.00 C ATOM 437 CZ PHE A 29 -4.393 18.074 8.410 1.00 0.00 C ATOM 0 H PHE A 29 -8.154 13.776 4.809 1.00 0.00 H new ATOM 0 HA PHE A 29 -7.438 16.565 4.809 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -7.755 15.104 6.847 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -6.309 14.224 6.394 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -4.096 15.407 6.374 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -7.619 17.235 7.922 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -2.716 17.057 7.561 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -6.242 18.887 9.109 1.00 0.00 H new ATOM 0 HZ PHE A 29 -3.787 18.799 8.933 1.00 0.00 H new ATOM 447 N ARG A 30 -5.277 14.291 3.782 1.00 0.00 N ATOM 448 CA ARG A 30 -4.033 14.104 3.046 1.00 0.00 C ATOM 449 C ARG A 30 -4.190 14.542 1.593 1.00 0.00 C ATOM 450 O ARG A 30 -3.203 14.765 0.891 1.00 0.00 O ATOM 451 CB ARG A 30 -3.595 12.640 3.105 1.00 0.00 C ATOM 452 CG ARG A 30 -4.645 11.669 2.591 1.00 0.00 C ATOM 453 CD ARG A 30 -4.247 10.226 2.857 1.00 0.00 C ATOM 454 NE ARG A 30 -3.333 9.714 1.840 1.00 0.00 N ATOM 455 CZ ARG A 30 -2.019 9.906 1.870 1.00 0.00 C ATOM 456 NH1 ARG A 30 -1.468 10.594 2.860 1.00 0.00 N ATOM 457 NH2 ARG A 30 -1.252 9.408 0.907 1.00 0.00 N ATOM 0 H ARG A 30 -5.757 13.424 4.025 1.00 0.00 H new ATOM 0 HA ARG A 30 -3.267 14.723 3.513 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -2.683 12.519 2.521 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -3.349 12.384 4.136 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -5.601 11.878 3.071 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -4.786 11.817 1.520 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -3.775 10.155 3.837 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -5.141 9.603 2.888 1.00 0.00 H new ATOM 0 HE ARG A 30 -3.725 9.180 1.064 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -2.053 10.978 3.602 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -0.459 10.740 2.880 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -1.672 8.878 0.144 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -0.243 9.556 0.931 1.00 0.00 H new ATOM 471 N ASP A 31 -5.436 14.661 1.148 1.00 0.00 N ATOM 472 CA ASP A 31 -5.723 15.072 -0.222 1.00 0.00 C ATOM 473 C ASP A 31 -5.916 16.582 -0.307 1.00 0.00 C ATOM 474 O ASP A 31 -5.564 17.209 -1.307 1.00 0.00 O ATOM 475 CB ASP A 31 -6.970 14.355 -0.741 1.00 0.00 C ATOM 476 CG ASP A 31 -6.640 13.289 -1.767 1.00 0.00 C ATOM 477 OD1 ASP A 31 -5.690 12.512 -1.532 1.00 0.00 O ATOM 478 OD2 ASP A 31 -7.333 13.230 -2.804 1.00 0.00 O ATOM 0 H ASP A 31 -6.264 14.479 1.716 1.00 0.00 H new ATOM 0 HA ASP A 31 -4.871 14.798 -0.844 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -7.498 13.898 0.096 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -7.647 15.085 -1.185 1.00 0.00 H new ATOM 483 N THR A 32 -6.479 17.162 0.749 1.00 0.00 N ATOM 484 CA THR A 32 -6.722 18.599 0.793 1.00 0.00 C ATOM 485 C THR A 32 -5.512 19.344 1.346 1.00 0.00 C ATOM 486 O THR A 32 -4.999 20.267 0.714 1.00 0.00 O ATOM 487 CB THR A 32 -7.955 18.934 1.653 1.00 0.00 C ATOM 488 OG1 THR A 32 -9.105 18.246 1.150 1.00 0.00 O ATOM 489 CG2 THR A 32 -8.217 20.432 1.663 1.00 0.00 C ATOM 0 H THR A 32 -6.775 16.658 1.585 1.00 0.00 H new ATOM 0 HA THR A 32 -6.906 18.921 -0.232 1.00 0.00 H new ATOM 0 HB THR A 32 -7.757 18.610 2.675 1.00 0.00 H new ATOM 0 HG1 THR A 32 -9.810 18.247 1.830 1.00 0.00 H new ATOM 0 HG21 THR A 32 -9.092 20.644 2.277 1.00 0.00 H new ATOM 0 HG22 THR A 32 -7.351 20.950 2.075 1.00 0.00 H new ATOM 0 HG23 THR A 32 -8.396 20.777 0.645 1.00 0.00 H new ATOM 497 N GLN A 33 -5.062 18.937 2.528 1.00 0.00 N ATOM 498 CA GLN A 33 -3.912 19.567 3.165 1.00 0.00 C ATOM 499 C GLN A 33 -2.888 20.010 2.125 1.00 0.00 C ATOM 500 O GLN A 33 -2.573 21.194 2.015 1.00 0.00 O ATOM 501 CB GLN A 33 -3.262 18.604 4.160 1.00 0.00 C ATOM 502 CG GLN A 33 -1.935 19.101 4.710 1.00 0.00 C ATOM 503 CD GLN A 33 -0.869 18.023 4.727 1.00 0.00 C ATOM 504 OE1 GLN A 33 -0.546 17.470 5.779 1.00 0.00 O ATOM 505 NE2 GLN A 33 -0.316 17.718 3.559 1.00 0.00 N ATOM 0 H GLN A 33 -5.476 18.174 3.064 1.00 0.00 H new ATOM 0 HA GLN A 33 -4.264 20.449 3.701 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -3.949 18.434 4.989 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -3.106 17.642 3.672 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -1.588 19.940 4.107 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -2.083 19.476 5.723 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -0.614 18.202 2.712 1.00 0.00 H new ATOM 0 HE22 GLN A 33 0.407 17.000 3.509 1.00 0.00 H new ATOM 514 N ALA A 34 -2.372 19.050 1.364 1.00 0.00 N ATOM 515 CA ALA A 34 -1.386 19.342 0.331 1.00 0.00 C ATOM 516 C ALA A 34 -1.772 20.586 -0.461 1.00 0.00 C ATOM 517 O ALA A 34 -0.954 21.483 -0.664 1.00 0.00 O ATOM 518 CB ALA A 34 -1.227 18.149 -0.599 1.00 0.00 C ATOM 0 H ALA A 34 -2.620 18.064 1.444 1.00 0.00 H new ATOM 0 HA ALA A 34 -0.431 19.537 0.820 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -0.488 18.381 -1.366 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -0.896 17.283 -0.026 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -2.183 17.927 -1.073 1.00 0.00 H new ATOM 524 N ALA A 35 -3.022 20.633 -0.908 1.00 0.00 N ATOM 525 CA ALA A 35 -3.517 21.768 -1.678 1.00 0.00 C ATOM 526 C ALA A 35 -3.516 23.042 -0.839 1.00 0.00 C ATOM 527 O ALA A 35 -3.289 24.136 -1.357 1.00 0.00 O ATOM 528 CB ALA A 35 -4.915 21.480 -2.203 1.00 0.00 C ATOM 0 H ALA A 35 -3.711 19.898 -0.750 1.00 0.00 H new ATOM 0 HA ALA A 35 -2.848 21.921 -2.525 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -5.272 22.336 -2.776 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -4.888 20.599 -2.845 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -5.588 21.298 -1.365 1.00 0.00 H new ATOM 534 N ILE A 36 -3.770 22.892 0.456 1.00 0.00 N ATOM 535 CA ILE A 36 -3.798 24.031 1.365 1.00 0.00 C ATOM 536 C ILE A 36 -2.397 24.588 1.592 1.00 0.00 C ATOM 537 O ILE A 36 -2.107 25.732 1.241 1.00 0.00 O ATOM 538 CB ILE A 36 -4.413 23.651 2.725 1.00 0.00 C ATOM 539 CG1 ILE A 36 -5.733 22.903 2.521 1.00 0.00 C ATOM 540 CG2 ILE A 36 -4.629 24.894 3.575 1.00 0.00 C ATOM 541 CD1 ILE A 36 -6.831 23.762 1.935 1.00 0.00 C ATOM 0 H ILE A 36 -3.959 21.993 0.900 1.00 0.00 H new ATOM 0 HA ILE A 36 -4.418 24.794 0.895 1.00 0.00 H new ATOM 0 HB ILE A 36 -3.720 22.992 3.249 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -5.560 22.051 1.864 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -6.067 22.504 3.479 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -5.064 24.609 4.533 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -3.673 25.390 3.744 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -5.305 25.575 3.058 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -7.736 23.166 1.818 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -7.032 24.601 2.602 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -6.517 24.140 0.962 1.00 0.00 H new ATOM 553 N LYS A 37 -1.529 23.771 2.179 1.00 0.00 N ATOM 554 CA LYS A 37 -0.156 24.179 2.450 1.00 0.00 C ATOM 555 C LYS A 37 0.536 24.643 1.172 1.00 0.00 C ATOM 556 O LYS A 37 1.092 25.739 1.118 1.00 0.00 O ATOM 557 CB LYS A 37 0.627 23.024 3.076 1.00 0.00 C ATOM 558 CG LYS A 37 1.538 23.452 4.214 1.00 0.00 C ATOM 559 CD LYS A 37 2.762 24.191 3.700 1.00 0.00 C ATOM 560 CE LYS A 37 3.930 23.244 3.470 1.00 0.00 C ATOM 561 NZ LYS A 37 4.760 23.659 2.306 1.00 0.00 N ATOM 0 H LYS A 37 -1.753 22.821 2.476 1.00 0.00 H new ATOM 0 HA LYS A 37 -0.183 25.013 3.151 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -0.076 22.278 3.446 1.00 0.00 H new ATOM 0 HB3 LYS A 37 1.226 22.542 2.304 1.00 0.00 H new ATOM 0 HG2 LYS A 37 0.986 24.094 4.901 1.00 0.00 H new ATOM 0 HG3 LYS A 37 1.852 22.575 4.779 1.00 0.00 H new ATOM 0 HD2 LYS A 37 2.516 24.700 2.768 1.00 0.00 H new ATOM 0 HD3 LYS A 37 3.051 24.960 4.416 1.00 0.00 H new ATOM 0 HE2 LYS A 37 4.551 23.210 4.365 1.00 0.00 H new ATOM 0 HE3 LYS A 37 3.552 22.235 3.305 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 5.545 22.988 2.183 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 4.174 23.667 1.447 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 5.142 24.612 2.474 1.00 0.00 H new ATOM 575 N GLY A 38 0.497 23.800 0.144 1.00 0.00 N ATOM 576 CA GLY A 38 1.123 24.143 -1.120 1.00 0.00 C ATOM 577 C GLY A 38 0.773 25.544 -1.579 1.00 0.00 C ATOM 578 O GLY A 38 1.636 26.280 -2.057 1.00 0.00 O ATOM 0 H GLY A 38 0.044 22.887 0.164 1.00 0.00 H new ATOM 0 HA2 GLY A 38 2.205 24.056 -1.021 1.00 0.00 H new ATOM 0 HA3 GLY A 38 0.814 23.427 -1.881 1.00 0.00 H new ATOM 582 N GLN A 39 -0.496 25.912 -1.437 1.00 0.00 N ATOM 583 CA GLN A 39 -0.958 27.233 -1.844 1.00 0.00 C ATOM 584 C GLN A 39 -0.610 28.280 -0.791 1.00 0.00 C ATOM 585 O GLN A 39 -0.421 29.454 -1.107 1.00 0.00 O ATOM 586 CB GLN A 39 -2.469 27.217 -2.085 1.00 0.00 C ATOM 587 CG GLN A 39 -2.867 26.588 -3.410 1.00 0.00 C ATOM 588 CD GLN A 39 -2.041 25.362 -3.745 1.00 0.00 C ATOM 589 OE1 GLN A 39 -0.820 25.441 -3.884 1.00 0.00 O ATOM 590 NE2 GLN A 39 -2.704 24.219 -3.877 1.00 0.00 N ATOM 0 H GLN A 39 -1.222 25.314 -1.043 1.00 0.00 H new ATOM 0 HA GLN A 39 -0.452 27.496 -2.773 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -2.952 26.672 -1.274 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -2.845 28.240 -2.050 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -3.921 26.313 -3.375 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -2.756 27.325 -4.206 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -3.716 24.199 -3.753 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -2.201 23.361 -4.102 1.00 0.00 H new ATOM 599 N ASN A 40 -0.528 27.846 0.463 1.00 0.00 N ATOM 600 CA ASN A 40 -0.204 28.746 1.564 1.00 0.00 C ATOM 601 C ASN A 40 0.811 28.108 2.508 1.00 0.00 C ATOM 602 O ASN A 40 0.464 27.566 3.557 1.00 0.00 O ATOM 603 CB ASN A 40 -1.471 29.119 2.335 1.00 0.00 C ATOM 604 CG ASN A 40 -2.706 29.114 1.455 1.00 0.00 C ATOM 605 OD1 ASN A 40 -2.819 29.907 0.520 1.00 0.00 O ATOM 606 ND2 ASN A 40 -3.641 28.219 1.752 1.00 0.00 N ATOM 0 H ASN A 40 -0.681 26.877 0.742 1.00 0.00 H new ATOM 0 HA ASN A 40 0.236 29.650 1.144 1.00 0.00 H new ATOM 0 HB2 ASN A 40 -1.612 28.418 3.158 1.00 0.00 H new ATOM 0 HB3 ASN A 40 -1.347 30.108 2.776 1.00 0.00 H new ATOM 0 HD21 ASN A 40 -4.495 28.170 1.196 1.00 0.00 H new ATOM 0 HD22 ASN A 40 -3.505 27.581 2.536 1.00 0.00 H new ATOM 613 N PRO A 41 2.095 28.173 2.127 1.00 0.00 N ATOM 614 CA PRO A 41 3.187 27.608 2.926 1.00 0.00 C ATOM 615 C PRO A 41 3.427 28.388 4.214 1.00 0.00 C ATOM 616 O PRO A 41 4.066 27.893 5.141 1.00 0.00 O ATOM 617 CB PRO A 41 4.400 27.720 1.999 1.00 0.00 C ATOM 618 CG PRO A 41 4.072 28.847 1.081 1.00 0.00 C ATOM 619 CD PRO A 41 2.581 28.804 0.888 1.00 0.00 C ATOM 0 HA PRO A 41 2.972 26.589 3.247 1.00 0.00 H new ATOM 0 HB2 PRO A 41 5.312 27.920 2.562 1.00 0.00 H new ATOM 0 HB3 PRO A 41 4.563 26.794 1.447 1.00 0.00 H new ATOM 0 HG2 PRO A 41 4.383 29.801 1.507 1.00 0.00 H new ATOM 0 HG3 PRO A 41 4.592 28.739 0.129 1.00 0.00 H new ATOM 0 HD2 PRO A 41 2.164 29.802 0.755 1.00 0.00 H new ATOM 0 HD3 PRO A 41 2.306 28.224 0.007 1.00 0.00 H new ATOM 627 N ASN A 42 2.909 29.611 4.265 1.00 0.00 N ATOM 628 CA ASN A 42 3.068 30.460 5.440 1.00 0.00 C ATOM 629 C ASN A 42 2.256 29.921 6.614 1.00 0.00 C ATOM 630 O ASN A 42 2.615 30.122 7.774 1.00 0.00 O ATOM 631 CB ASN A 42 2.636 31.893 5.122 1.00 0.00 C ATOM 632 CG ASN A 42 3.466 32.516 4.016 1.00 0.00 C ATOM 633 OD1 ASN A 42 3.539 31.988 2.907 1.00 0.00 O ATOM 634 ND2 ASN A 42 4.099 33.644 4.316 1.00 0.00 N ATOM 0 H ASN A 42 2.376 30.036 3.507 1.00 0.00 H new ATOM 0 HA ASN A 42 4.122 30.459 5.719 1.00 0.00 H new ATOM 0 HB2 ASN A 42 1.586 31.897 4.830 1.00 0.00 H new ATOM 0 HB3 ASN A 42 2.719 32.503 6.022 1.00 0.00 H new ATOM 0 HD21 ASN A 42 4.674 34.108 3.613 1.00 0.00 H new ATOM 0 HD22 ASN A 42 4.010 34.046 5.249 1.00 0.00 H new ATOM 641 N ALA A 43 1.161 29.235 6.304 1.00 0.00 N ATOM 642 CA ALA A 43 0.300 28.664 7.332 1.00 0.00 C ATOM 643 C ALA A 43 0.948 27.442 7.974 1.00 0.00 C ATOM 644 O ALA A 43 1.448 26.555 7.281 1.00 0.00 O ATOM 645 CB ALA A 43 -1.054 28.298 6.743 1.00 0.00 C ATOM 0 H ALA A 43 0.849 29.061 5.349 1.00 0.00 H new ATOM 0 HA ALA A 43 0.155 29.415 8.108 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -1.687 27.873 7.522 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -1.528 29.192 6.338 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -0.918 27.567 5.946 1.00 0.00 H new ATOM 651 N THR A 44 0.936 27.401 9.303 1.00 0.00 N ATOM 652 CA THR A 44 1.524 26.288 10.038 1.00 0.00 C ATOM 653 C THR A 44 0.596 25.079 10.040 1.00 0.00 C ATOM 654 O THR A 44 -0.611 25.210 9.840 1.00 0.00 O ATOM 655 CB THR A 44 1.839 26.681 11.494 1.00 0.00 C ATOM 656 OG1 THR A 44 2.576 25.634 12.135 1.00 0.00 O ATOM 657 CG2 THR A 44 0.559 26.955 12.269 1.00 0.00 C ATOM 0 H THR A 44 0.526 28.126 9.892 1.00 0.00 H new ATOM 0 HA THR A 44 2.453 26.029 9.530 1.00 0.00 H new ATOM 0 HB THR A 44 2.439 27.591 11.480 1.00 0.00 H new ATOM 0 HG1 THR A 44 2.774 25.892 13.059 1.00 0.00 H new ATOM 0 HG21 THR A 44 0.806 27.231 13.294 1.00 0.00 H new ATOM 0 HG22 THR A 44 0.014 27.772 11.795 1.00 0.00 H new ATOM 0 HG23 THR A 44 -0.062 26.059 12.274 1.00 0.00 H new ATOM 665 N PHE A 45 1.168 23.901 10.267 1.00 0.00 N ATOM 666 CA PHE A 45 0.391 22.667 10.294 1.00 0.00 C ATOM 667 C PHE A 45 -0.951 22.884 10.986 1.00 0.00 C ATOM 668 O PHE A 45 -1.972 22.339 10.570 1.00 0.00 O ATOM 669 CB PHE A 45 1.173 21.562 11.008 1.00 0.00 C ATOM 670 CG PHE A 45 0.500 20.221 10.955 1.00 0.00 C ATOM 671 CD1 PHE A 45 0.374 19.541 9.755 1.00 0.00 C ATOM 672 CD2 PHE A 45 -0.007 19.640 12.106 1.00 0.00 C ATOM 673 CE1 PHE A 45 -0.245 18.307 9.703 1.00 0.00 C ATOM 674 CE2 PHE A 45 -0.627 18.405 12.061 1.00 0.00 C ATOM 675 CZ PHE A 45 -0.746 17.738 10.858 1.00 0.00 C ATOM 0 H PHE A 45 2.166 23.775 10.435 1.00 0.00 H new ATOM 0 HA PHE A 45 0.204 22.363 9.264 1.00 0.00 H new ATOM 0 HB2 PHE A 45 2.163 21.481 10.559 1.00 0.00 H new ATOM 0 HB3 PHE A 45 1.318 21.846 12.050 1.00 0.00 H new ATOM 0 HD1 PHE A 45 0.764 19.981 8.849 1.00 0.00 H new ATOM 0 HD2 PHE A 45 0.083 20.158 13.049 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -0.337 17.788 8.761 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -1.018 17.963 12.966 1.00 0.00 H new ATOM 0 HZ PHE A 45 -1.230 16.773 10.820 1.00 0.00 H new ATOM 685 N GLY A 46 -0.940 23.685 12.048 1.00 0.00 N ATOM 686 CA GLY A 46 -2.161 23.960 12.782 1.00 0.00 C ATOM 687 C GLY A 46 -3.192 24.688 11.941 1.00 0.00 C ATOM 688 O GLY A 46 -4.379 24.370 11.992 1.00 0.00 O ATOM 0 H GLY A 46 -0.107 24.148 12.412 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -2.585 23.022 13.140 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -1.925 24.559 13.662 1.00 0.00 H new ATOM 692 N GLU A 47 -2.737 25.668 11.167 1.00 0.00 N ATOM 693 CA GLU A 47 -3.629 26.444 10.315 1.00 0.00 C ATOM 694 C GLU A 47 -4.187 25.583 9.185 1.00 0.00 C ATOM 695 O GLU A 47 -5.401 25.497 8.996 1.00 0.00 O ATOM 696 CB GLU A 47 -2.892 27.652 9.733 1.00 0.00 C ATOM 697 CG GLU A 47 -3.168 28.949 10.477 1.00 0.00 C ATOM 698 CD GLU A 47 -4.497 29.570 10.094 1.00 0.00 C ATOM 699 OE1 GLU A 47 -4.859 29.505 8.901 1.00 0.00 O ATOM 700 OE2 GLU A 47 -5.173 30.122 10.987 1.00 0.00 O ATOM 0 H GLU A 47 -1.756 25.943 11.113 1.00 0.00 H new ATOM 0 HA GLU A 47 -4.460 26.795 10.927 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -1.820 27.455 9.748 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -3.179 27.774 8.689 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -3.157 28.757 11.550 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -2.367 29.659 10.271 1.00 0.00 H new ATOM 707 N VAL A 48 -3.292 24.947 8.436 1.00 0.00 N ATOM 708 CA VAL A 48 -3.693 24.092 7.325 1.00 0.00 C ATOM 709 C VAL A 48 -4.761 23.094 7.758 1.00 0.00 C ATOM 710 O VAL A 48 -5.673 22.775 6.995 1.00 0.00 O ATOM 711 CB VAL A 48 -2.491 23.322 6.746 1.00 0.00 C ATOM 712 CG1 VAL A 48 -2.965 22.148 5.903 1.00 0.00 C ATOM 713 CG2 VAL A 48 -1.606 24.252 5.931 1.00 0.00 C ATOM 0 H VAL A 48 -2.284 25.008 8.578 1.00 0.00 H new ATOM 0 HA VAL A 48 -4.101 24.746 6.554 1.00 0.00 H new ATOM 0 HB VAL A 48 -1.900 22.929 7.573 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -2.102 21.616 5.502 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -3.554 21.471 6.521 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -3.579 22.515 5.081 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -0.762 23.692 5.529 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -2.183 24.677 5.110 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -1.238 25.055 6.569 1.00 0.00 H new ATOM 723 N SER A 49 -4.642 22.604 8.988 1.00 0.00 N ATOM 724 CA SER A 49 -5.596 21.639 9.522 1.00 0.00 C ATOM 725 C SER A 49 -6.948 22.298 9.781 1.00 0.00 C ATOM 726 O SER A 49 -7.973 21.870 9.250 1.00 0.00 O ATOM 727 CB SER A 49 -5.060 21.022 10.815 1.00 0.00 C ATOM 728 OG SER A 49 -5.177 21.927 11.899 1.00 0.00 O ATOM 0 H SER A 49 -3.894 22.859 9.633 1.00 0.00 H new ATOM 0 HA SER A 49 -5.732 20.851 8.781 1.00 0.00 H new ATOM 0 HB2 SER A 49 -5.609 20.107 11.040 1.00 0.00 H new ATOM 0 HB3 SER A 49 -4.015 20.742 10.682 1.00 0.00 H new ATOM 0 HG SER A 49 -4.635 22.723 11.720 1.00 0.00 H new ATOM 734 N LYS A 50 -6.941 23.342 10.603 1.00 0.00 N ATOM 735 CA LYS A 50 -8.165 24.063 10.934 1.00 0.00 C ATOM 736 C LYS A 50 -8.972 24.371 9.677 1.00 0.00 C ATOM 737 O LYS A 50 -10.201 24.442 9.719 1.00 0.00 O ATOM 738 CB LYS A 50 -7.832 25.363 11.671 1.00 0.00 C ATOM 739 CG LYS A 50 -8.714 25.619 12.880 1.00 0.00 C ATOM 740 CD LYS A 50 -10.091 26.116 12.471 1.00 0.00 C ATOM 741 CE LYS A 50 -11.048 26.144 13.653 1.00 0.00 C ATOM 742 NZ LYS A 50 -12.120 27.161 13.475 1.00 0.00 N ATOM 0 H LYS A 50 -6.102 23.708 11.052 1.00 0.00 H new ATOM 0 HA LYS A 50 -8.767 23.428 11.584 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -6.791 25.333 11.991 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -7.928 26.199 10.978 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -8.815 24.701 13.459 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -8.239 26.355 13.529 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -10.006 27.116 12.046 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -10.494 25.471 11.690 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -11.499 25.160 13.779 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -10.492 26.359 14.565 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -12.751 27.149 14.302 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -11.692 28.104 13.381 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -12.667 26.942 12.618 1.00 0.00 H new ATOM 756 N ILE A 51 -8.274 24.552 8.561 1.00 0.00 N ATOM 757 CA ILE A 51 -8.927 24.850 7.292 1.00 0.00 C ATOM 758 C ILE A 51 -9.585 23.605 6.707 1.00 0.00 C ATOM 759 O ILE A 51 -10.737 23.643 6.274 1.00 0.00 O ATOM 760 CB ILE A 51 -7.931 25.421 6.266 1.00 0.00 C ATOM 761 CG1 ILE A 51 -7.390 26.770 6.744 1.00 0.00 C ATOM 762 CG2 ILE A 51 -8.595 25.562 4.905 1.00 0.00 C ATOM 763 CD1 ILE A 51 -6.092 27.171 6.079 1.00 0.00 C ATOM 0 H ILE A 51 -7.257 24.498 8.510 1.00 0.00 H new ATOM 0 HA ILE A 51 -9.691 25.599 7.499 1.00 0.00 H new ATOM 0 HB ILE A 51 -7.094 24.729 6.170 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -8.138 27.540 6.555 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -7.239 26.730 7.823 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -7.878 25.967 4.191 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -8.935 24.585 4.563 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -9.448 26.236 4.984 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -5.768 28.137 6.466 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -5.329 26.421 6.289 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -6.242 27.244 5.002 1.00 0.00 H new ATOM 775 N VAL A 52 -8.846 22.500 6.699 1.00 0.00 N ATOM 776 CA VAL A 52 -9.357 21.242 6.169 1.00 0.00 C ATOM 777 C VAL A 52 -10.525 20.729 7.004 1.00 0.00 C ATOM 778 O VAL A 52 -11.525 20.254 6.466 1.00 0.00 O ATOM 779 CB VAL A 52 -8.259 20.163 6.126 1.00 0.00 C ATOM 780 CG1 VAL A 52 -8.842 18.823 5.703 1.00 0.00 C ATOM 781 CG2 VAL A 52 -7.136 20.584 5.190 1.00 0.00 C ATOM 0 H VAL A 52 -7.891 22.451 7.054 1.00 0.00 H new ATOM 0 HA VAL A 52 -9.699 21.442 5.154 1.00 0.00 H new ATOM 0 HB VAL A 52 -7.844 20.051 7.128 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -8.051 18.073 5.678 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -9.608 18.518 6.416 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -9.285 18.916 4.711 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -6.369 19.810 5.171 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -7.534 20.725 4.185 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -6.700 21.519 5.542 1.00 0.00 H new ATOM 791 N ALA A 53 -10.391 20.828 8.323 1.00 0.00 N ATOM 792 CA ALA A 53 -11.436 20.377 9.233 1.00 0.00 C ATOM 793 C ALA A 53 -12.772 21.036 8.906 1.00 0.00 C ATOM 794 O ALA A 53 -13.823 20.399 8.976 1.00 0.00 O ATOM 795 CB ALA A 53 -11.042 20.665 10.674 1.00 0.00 C ATOM 0 H ALA A 53 -9.569 21.217 8.785 1.00 0.00 H new ATOM 0 HA ALA A 53 -11.552 19.300 9.108 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -11.832 20.323 11.343 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -10.115 20.142 10.909 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -10.896 21.737 10.804 1.00 0.00 H new ATOM 801 N SER A 54 -12.723 22.315 8.549 1.00 0.00 N ATOM 802 CA SER A 54 -13.930 23.062 8.215 1.00 0.00 C ATOM 803 C SER A 54 -14.470 22.641 6.851 1.00 0.00 C ATOM 804 O SER A 54 -15.653 22.815 6.559 1.00 0.00 O ATOM 805 CB SER A 54 -13.644 24.565 8.221 1.00 0.00 C ATOM 806 OG SER A 54 -14.189 25.183 9.374 1.00 0.00 O ATOM 0 H SER A 54 -11.861 22.856 8.484 1.00 0.00 H new ATOM 0 HA SER A 54 -14.685 22.840 8.970 1.00 0.00 H new ATOM 0 HB2 SER A 54 -12.568 24.734 8.188 1.00 0.00 H new ATOM 0 HB3 SER A 54 -14.066 25.022 7.326 1.00 0.00 H new ATOM 0 HG SER A 54 -13.991 26.143 9.355 1.00 0.00 H new ATOM 812 N MET A 55 -13.593 22.087 6.021 1.00 0.00 N ATOM 813 CA MET A 55 -13.981 21.640 4.688 1.00 0.00 C ATOM 814 C MET A 55 -14.781 20.343 4.761 1.00 0.00 C ATOM 815 O MET A 55 -15.874 20.246 4.203 1.00 0.00 O ATOM 816 CB MET A 55 -12.742 21.439 3.813 1.00 0.00 C ATOM 817 CG MET A 55 -12.007 22.731 3.495 1.00 0.00 C ATOM 818 SD MET A 55 -12.261 23.274 1.794 1.00 0.00 S ATOM 819 CE MET A 55 -11.023 22.301 0.940 1.00 0.00 C ATOM 0 H MET A 55 -12.610 21.937 6.247 1.00 0.00 H new ATOM 0 HA MET A 55 -14.610 22.411 4.243 1.00 0.00 H new ATOM 0 HB2 MET A 55 -12.058 20.756 4.317 1.00 0.00 H new ATOM 0 HB3 MET A 55 -13.040 20.961 2.880 1.00 0.00 H new ATOM 0 HG2 MET A 55 -12.343 23.513 4.176 1.00 0.00 H new ATOM 0 HG3 MET A 55 -10.941 22.591 3.672 1.00 0.00 H new ATOM 0 HE1 MET A 55 -11.213 22.331 -0.133 1.00 0.00 H new ATOM 0 HE2 MET A 55 -10.034 22.710 1.145 1.00 0.00 H new ATOM 0 HE3 MET A 55 -11.068 21.269 1.288 1.00 0.00 H new ATOM 829 N TRP A 56 -14.230 19.351 5.451 1.00 0.00 N ATOM 830 CA TRP A 56 -14.894 18.060 5.596 1.00 0.00 C ATOM 831 C TRP A 56 -16.272 18.225 6.227 1.00 0.00 C ATOM 832 O TRP A 56 -17.251 17.640 5.763 1.00 0.00 O ATOM 833 CB TRP A 56 -14.039 17.117 6.445 1.00 0.00 C ATOM 834 CG TRP A 56 -14.799 15.937 6.968 1.00 0.00 C ATOM 835 CD1 TRP A 56 -15.580 15.895 8.088 1.00 0.00 C ATOM 836 CD2 TRP A 56 -14.849 14.626 6.393 1.00 0.00 C ATOM 837 NE1 TRP A 56 -16.112 14.638 8.244 1.00 0.00 N ATOM 838 CE2 TRP A 56 -15.680 13.841 7.217 1.00 0.00 C ATOM 839 CE3 TRP A 56 -14.275 14.040 5.262 1.00 0.00 C ATOM 840 CZ2 TRP A 56 -15.947 12.502 6.944 1.00 0.00 C ATOM 841 CZ3 TRP A 56 -14.541 12.711 4.993 1.00 0.00 C ATOM 842 CH2 TRP A 56 -15.372 11.954 5.830 1.00 0.00 C ATOM 0 H TRP A 56 -13.326 19.415 5.919 1.00 0.00 H new ATOM 0 HA TRP A 56 -15.020 17.629 4.603 1.00 0.00 H new ATOM 0 HB2 TRP A 56 -13.198 16.763 5.848 1.00 0.00 H new ATOM 0 HB3 TRP A 56 -13.622 17.673 7.285 1.00 0.00 H new ATOM 0 HD1 TRP A 56 -15.754 16.728 8.753 1.00 0.00 H new ATOM 0 HE1 TRP A 56 -16.729 14.346 9.002 1.00 0.00 H new ATOM 0 HE3 TRP A 56 -13.635 14.615 4.610 1.00 0.00 H new ATOM 0 HZ2 TRP A 56 -16.586 11.917 7.589 1.00 0.00 H new ATOM 0 HZ3 TRP A 56 -14.101 12.247 4.122 1.00 0.00 H new ATOM 0 HH2 TRP A 56 -15.562 10.918 5.591 1.00 0.00 H new ATOM 853 N ASP A 57 -16.341 19.023 7.286 1.00 0.00 N ATOM 854 CA ASP A 57 -17.601 19.265 7.980 1.00 0.00 C ATOM 855 C ASP A 57 -18.643 19.844 7.029 1.00 0.00 C ATOM 856 O ASP A 57 -19.835 19.864 7.334 1.00 0.00 O ATOM 857 CB ASP A 57 -17.384 20.215 9.159 1.00 0.00 C ATOM 858 CG ASP A 57 -17.616 19.540 10.497 1.00 0.00 C ATOM 859 OD1 ASP A 57 -18.524 18.686 10.582 1.00 0.00 O ATOM 860 OD2 ASP A 57 -16.889 19.866 11.459 1.00 0.00 O ATOM 0 H ASP A 57 -15.540 19.514 7.683 1.00 0.00 H new ATOM 0 HA ASP A 57 -17.970 18.310 8.356 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -16.367 20.606 9.124 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -18.057 21.067 9.064 1.00 0.00 H new ATOM 865 N GLY A 58 -18.185 20.316 5.873 1.00 0.00 N ATOM 866 CA GLY A 58 -19.090 20.890 4.895 1.00 0.00 C ATOM 867 C GLY A 58 -19.113 20.108 3.597 1.00 0.00 C ATOM 868 O GLY A 58 -19.709 20.544 2.611 1.00 0.00 O ATOM 0 H GLY A 58 -17.203 20.311 5.597 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -20.096 20.925 5.312 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -18.794 21.919 4.690 1.00 0.00 H new ATOM 872 N LEU A 59 -18.463 18.950 3.594 1.00 0.00 N ATOM 873 CA LEU A 59 -18.409 18.105 2.406 1.00 0.00 C ATOM 874 C LEU A 59 -19.769 17.474 2.125 1.00 0.00 C ATOM 875 O LEU A 59 -20.649 17.463 2.985 1.00 0.00 O ATOM 876 CB LEU A 59 -17.353 17.012 2.580 1.00 0.00 C ATOM 877 CG LEU A 59 -16.272 16.945 1.501 1.00 0.00 C ATOM 878 CD1 LEU A 59 -15.200 17.994 1.754 1.00 0.00 C ATOM 879 CD2 LEU A 59 -15.658 15.554 1.447 1.00 0.00 C ATOM 0 H LEU A 59 -17.966 18.574 4.401 1.00 0.00 H new ATOM 0 HA LEU A 59 -18.137 18.732 1.557 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -16.867 17.155 3.545 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -17.860 16.048 2.618 1.00 0.00 H new ATOM 0 HG LEU A 59 -16.735 17.153 0.536 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -14.439 17.931 0.976 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -15.651 18.986 1.741 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -14.740 17.817 2.726 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -14.891 15.525 0.673 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -15.210 15.316 2.412 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -16.433 14.823 1.217 1.00 0.00 H new ATOM 891 N GLY A 60 -19.933 16.946 0.916 1.00 0.00 N ATOM 892 CA GLY A 60 -21.187 16.318 0.544 1.00 0.00 C ATOM 893 C GLY A 60 -21.290 14.890 1.040 1.00 0.00 C ATOM 894 O GLY A 60 -20.276 14.243 1.302 1.00 0.00 O ATOM 0 H GLY A 60 -19.219 16.942 0.187 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -22.015 16.900 0.948 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -21.288 16.331 -0.541 1.00 0.00 H new ATOM 898 N GLU A 61 -22.517 14.396 1.170 1.00 0.00 N ATOM 899 CA GLU A 61 -22.747 13.036 1.640 1.00 0.00 C ATOM 900 C GLU A 61 -22.034 12.024 0.748 1.00 0.00 C ATOM 901 O GLU A 61 -21.505 11.022 1.229 1.00 0.00 O ATOM 902 CB GLU A 61 -24.246 12.731 1.677 1.00 0.00 C ATOM 903 CG GLU A 61 -24.728 12.205 3.018 1.00 0.00 C ATOM 904 CD GLU A 61 -26.240 12.189 3.130 1.00 0.00 C ATOM 905 OE1 GLU A 61 -26.890 11.535 2.288 1.00 0.00 O ATOM 906 OE2 GLU A 61 -26.774 12.831 4.059 1.00 0.00 O ATOM 0 H GLU A 61 -23.367 14.918 0.956 1.00 0.00 H new ATOM 0 HA GLU A 61 -22.342 12.955 2.649 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -24.799 13.638 1.432 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -24.478 11.998 0.904 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -24.346 11.195 3.166 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -24.315 12.822 3.816 1.00 0.00 H new ATOM 913 N GLU A 62 -22.024 12.294 -0.553 1.00 0.00 N ATOM 914 CA GLU A 62 -21.376 11.407 -1.512 1.00 0.00 C ATOM 915 C GLU A 62 -19.863 11.406 -1.317 1.00 0.00 C ATOM 916 O GLU A 62 -19.197 10.399 -1.556 1.00 0.00 O ATOM 917 CB GLU A 62 -21.717 11.830 -2.943 1.00 0.00 C ATOM 918 CG GLU A 62 -21.992 10.661 -3.874 1.00 0.00 C ATOM 919 CD GLU A 62 -23.392 10.697 -4.457 1.00 0.00 C ATOM 920 OE1 GLU A 62 -23.724 11.685 -5.144 1.00 0.00 O ATOM 921 OE2 GLU A 62 -24.154 9.735 -4.226 1.00 0.00 O ATOM 0 H GLU A 62 -22.457 13.119 -0.967 1.00 0.00 H new ATOM 0 HA GLU A 62 -21.747 10.396 -1.341 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -22.591 12.480 -2.922 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -20.892 12.418 -3.345 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -21.264 10.668 -4.685 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -21.853 9.727 -3.330 1.00 0.00 H new ATOM 928 N GLN A 63 -19.328 12.542 -0.882 1.00 0.00 N ATOM 929 CA GLN A 63 -17.893 12.673 -0.656 1.00 0.00 C ATOM 930 C GLN A 63 -17.511 12.159 0.728 1.00 0.00 C ATOM 931 O GLN A 63 -16.406 11.655 0.932 1.00 0.00 O ATOM 932 CB GLN A 63 -17.463 14.133 -0.808 1.00 0.00 C ATOM 933 CG GLN A 63 -17.699 14.695 -2.201 1.00 0.00 C ATOM 934 CD GLN A 63 -16.922 15.972 -2.454 1.00 0.00 C ATOM 935 OE1 GLN A 63 -15.958 15.984 -3.219 1.00 0.00 O ATOM 936 NE2 GLN A 63 -17.340 17.057 -1.811 1.00 0.00 N ATOM 0 H GLN A 63 -19.866 13.385 -0.679 1.00 0.00 H new ATOM 0 HA GLN A 63 -17.376 12.070 -1.403 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -18.006 14.740 -0.084 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -16.404 14.218 -0.566 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -17.415 13.948 -2.943 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -18.763 14.889 -2.335 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -18.144 17.001 -1.186 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -16.857 17.946 -1.942 1.00 0.00 H new ATOM 945 N LYS A 64 -18.431 12.290 1.677 1.00 0.00 N ATOM 946 CA LYS A 64 -18.192 11.838 3.043 1.00 0.00 C ATOM 947 C LYS A 64 -18.248 10.317 3.130 1.00 0.00 C ATOM 948 O LYS A 64 -17.389 9.691 3.750 1.00 0.00 O ATOM 949 CB LYS A 64 -19.223 12.452 3.992 1.00 0.00 C ATOM 950 CG LYS A 64 -18.798 13.792 4.568 1.00 0.00 C ATOM 951 CD LYS A 64 -19.607 14.150 5.804 1.00 0.00 C ATOM 952 CE LYS A 64 -19.129 15.453 6.424 1.00 0.00 C ATOM 953 NZ LYS A 64 -19.973 15.859 7.582 1.00 0.00 N ATOM 0 H LYS A 64 -19.350 12.706 1.526 1.00 0.00 H new ATOM 0 HA LYS A 64 -17.195 12.165 3.338 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -20.165 12.578 3.459 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -19.410 11.757 4.811 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -17.739 13.760 4.822 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -18.922 14.569 3.814 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -20.660 14.237 5.538 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -19.529 13.347 6.537 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -18.095 15.342 6.750 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -19.143 16.240 5.670 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -19.614 16.752 7.977 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -20.955 15.990 7.267 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -19.939 15.119 8.312 1.00 0.00 H new ATOM 967 N GLN A 65 -19.262 9.729 2.504 1.00 0.00 N ATOM 968 CA GLN A 65 -19.427 8.280 2.511 1.00 0.00 C ATOM 969 C GLN A 65 -18.311 7.601 1.725 1.00 0.00 C ATOM 970 O GLN A 65 -17.628 6.714 2.237 1.00 0.00 O ATOM 971 CB GLN A 65 -20.787 7.898 1.923 1.00 0.00 C ATOM 972 CG GLN A 65 -20.923 8.222 0.444 1.00 0.00 C ATOM 973 CD GLN A 65 -22.345 8.070 -0.059 1.00 0.00 C ATOM 974 OE1 GLN A 65 -23.102 9.040 -0.116 1.00 0.00 O ATOM 975 NE2 GLN A 65 -22.716 6.849 -0.426 1.00 0.00 N ATOM 0 H GLN A 65 -19.981 10.233 1.986 1.00 0.00 H new ATOM 0 HA GLN A 65 -19.377 7.939 3.545 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -20.950 6.830 2.069 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -21.571 8.418 2.474 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -20.587 9.244 0.267 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -20.267 7.567 -0.129 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -22.055 6.074 -0.362 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -23.662 6.686 -0.772 1.00 0.00 H new ATOM 984 N VAL A 66 -18.131 8.022 0.477 1.00 0.00 N ATOM 985 CA VAL A 66 -17.097 7.455 -0.380 1.00 0.00 C ATOM 986 C VAL A 66 -15.794 7.259 0.388 1.00 0.00 C ATOM 987 O VAL A 66 -15.172 6.199 0.314 1.00 0.00 O ATOM 988 CB VAL A 66 -16.829 8.351 -1.604 1.00 0.00 C ATOM 989 CG1 VAL A 66 -16.415 9.747 -1.164 1.00 0.00 C ATOM 990 CG2 VAL A 66 -15.767 7.728 -2.497 1.00 0.00 C ATOM 0 H VAL A 66 -18.688 8.754 0.037 1.00 0.00 H new ATOM 0 HA VAL A 66 -17.464 6.487 -0.721 1.00 0.00 H new ATOM 0 HB VAL A 66 -17.751 8.436 -2.179 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -16.230 10.365 -2.042 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -17.212 10.192 -0.568 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -15.506 9.685 -0.566 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -15.590 8.374 -3.357 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -14.841 7.611 -1.934 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -16.108 6.751 -2.841 1.00 0.00 H new ATOM 1000 N TYR A 67 -15.387 8.287 1.124 1.00 0.00 N ATOM 1001 CA TYR A 67 -14.157 8.228 1.904 1.00 0.00 C ATOM 1002 C TYR A 67 -14.224 7.115 2.945 1.00 0.00 C ATOM 1003 O TYR A 67 -13.210 6.506 3.287 1.00 0.00 O ATOM 1004 CB TYR A 67 -13.900 9.570 2.592 1.00 0.00 C ATOM 1005 CG TYR A 67 -13.265 10.603 1.688 1.00 0.00 C ATOM 1006 CD1 TYR A 67 -12.147 10.292 0.923 1.00 0.00 C ATOM 1007 CD2 TYR A 67 -13.783 11.889 1.598 1.00 0.00 C ATOM 1008 CE1 TYR A 67 -11.564 11.232 0.096 1.00 0.00 C ATOM 1009 CE2 TYR A 67 -13.207 12.835 0.773 1.00 0.00 C ATOM 1010 CZ TYR A 67 -12.097 12.502 0.024 1.00 0.00 C ATOM 1011 OH TYR A 67 -11.520 13.442 -0.798 1.00 0.00 O ATOM 0 H TYR A 67 -15.891 9.171 1.197 1.00 0.00 H new ATOM 0 HA TYR A 67 -13.335 8.013 1.222 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -14.844 9.962 2.970 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -13.254 9.408 3.455 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -11.727 9.298 0.976 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -14.651 12.153 2.183 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -10.695 10.974 -0.491 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -13.623 13.830 0.714 1.00 0.00 H new ATOM 0 HH TYR A 67 -12.138 14.193 -0.921 1.00 0.00 H new ATOM 1021 N LYS A 68 -15.427 6.854 3.446 1.00 0.00 N ATOM 1022 CA LYS A 68 -15.630 5.814 4.446 1.00 0.00 C ATOM 1023 C LYS A 68 -15.590 4.429 3.808 1.00 0.00 C ATOM 1024 O LYS A 68 -14.971 3.507 4.339 1.00 0.00 O ATOM 1025 CB LYS A 68 -16.968 6.019 5.160 1.00 0.00 C ATOM 1026 CG LYS A 68 -17.096 7.373 5.836 1.00 0.00 C ATOM 1027 CD LYS A 68 -17.045 7.248 7.350 1.00 0.00 C ATOM 1028 CE LYS A 68 -18.440 7.234 7.955 1.00 0.00 C ATOM 1029 NZ LYS A 68 -19.028 8.600 8.025 1.00 0.00 N ATOM 0 H LYS A 68 -16.276 7.349 3.175 1.00 0.00 H new ATOM 0 HA LYS A 68 -14.822 5.883 5.174 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -17.777 5.905 4.438 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -17.095 5.236 5.907 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -16.293 8.027 5.497 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -18.035 7.841 5.540 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -16.520 6.333 7.623 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -16.475 8.079 7.766 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -19.087 6.590 7.360 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -18.397 6.805 8.956 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -19.979 8.548 8.443 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -18.424 9.208 8.614 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -19.093 9.000 7.067 1.00 0.00 H new ATOM 1043 N LYS A 69 -16.252 4.291 2.664 1.00 0.00 N ATOM 1044 CA LYS A 69 -16.291 3.020 1.951 1.00 0.00 C ATOM 1045 C LYS A 69 -14.886 2.576 1.555 1.00 0.00 C ATOM 1046 O LYS A 69 -14.543 1.398 1.659 1.00 0.00 O ATOM 1047 CB LYS A 69 -17.170 3.137 0.704 1.00 0.00 C ATOM 1048 CG LYS A 69 -18.412 3.986 0.914 1.00 0.00 C ATOM 1049 CD LYS A 69 -19.103 3.650 2.225 1.00 0.00 C ATOM 1050 CE LYS A 69 -19.846 2.326 2.139 1.00 0.00 C ATOM 1051 NZ LYS A 69 -21.158 2.470 1.449 1.00 0.00 N ATOM 0 H LYS A 69 -16.769 5.044 2.211 1.00 0.00 H new ATOM 0 HA LYS A 69 -16.716 2.271 2.618 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -16.581 3.564 -0.107 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -17.472 2.139 0.387 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -18.138 5.041 0.906 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -19.104 3.830 0.087 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -18.364 3.603 3.025 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -19.803 4.445 2.483 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -19.233 1.600 1.606 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -20.005 1.933 3.143 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -21.633 1.546 1.411 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -21.753 3.144 1.972 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -21.005 2.821 0.482 1.00 0.00 H new ATOM 1065 N LYS A 70 -14.076 3.526 1.101 1.00 0.00 N ATOM 1066 CA LYS A 70 -12.707 3.235 0.692 1.00 0.00 C ATOM 1067 C LYS A 70 -11.863 2.801 1.887 1.00 0.00 C ATOM 1068 O LYS A 70 -11.220 1.751 1.858 1.00 0.00 O ATOM 1069 CB LYS A 70 -12.078 4.462 0.029 1.00 0.00 C ATOM 1070 CG LYS A 70 -12.651 4.773 -1.343 1.00 0.00 C ATOM 1071 CD LYS A 70 -11.705 5.637 -2.160 1.00 0.00 C ATOM 1072 CE LYS A 70 -12.466 6.588 -3.071 1.00 0.00 C ATOM 1073 NZ LYS A 70 -12.113 6.383 -4.504 1.00 0.00 N ATOM 0 H LYS A 70 -14.344 4.506 1.007 1.00 0.00 H new ATOM 0 HA LYS A 70 -12.736 2.417 -0.027 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -12.219 5.327 0.677 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -11.003 4.304 -0.063 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -12.847 3.843 -1.876 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -13.607 5.284 -1.232 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -11.063 6.209 -1.490 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -11.054 5.000 -2.759 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -13.538 6.441 -2.936 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -12.247 7.617 -2.786 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -12.652 7.049 -5.093 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -11.095 6.548 -4.638 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -12.345 5.408 -4.783 1.00 0.00 H new ATOM 1087 N THR A 71 -11.870 3.615 2.937 1.00 0.00 N ATOM 1088 CA THR A 71 -11.105 3.315 4.142 1.00 0.00 C ATOM 1089 C THR A 71 -11.129 1.822 4.450 1.00 0.00 C ATOM 1090 O THR A 71 -10.126 1.253 4.879 1.00 0.00 O ATOM 1091 CB THR A 71 -11.648 4.088 5.359 1.00 0.00 C ATOM 1092 OG1 THR A 71 -11.796 5.474 5.033 1.00 0.00 O ATOM 1093 CG2 THR A 71 -10.718 3.939 6.553 1.00 0.00 C ATOM 0 H THR A 71 -12.397 4.487 2.978 1.00 0.00 H new ATOM 0 HA THR A 71 -10.078 3.628 3.951 1.00 0.00 H new ATOM 0 HB THR A 71 -12.620 3.672 5.622 1.00 0.00 H new ATOM 0 HG1 THR A 71 -12.673 5.622 4.622 1.00 0.00 H new ATOM 0 HG21 THR A 71 -11.122 4.493 7.400 1.00 0.00 H new ATOM 0 HG22 THR A 71 -10.631 2.885 6.817 1.00 0.00 H new ATOM 0 HG23 THR A 71 -9.734 4.332 6.299 1.00 0.00 H new ATOM 1101 N GLU A 72 -12.279 1.195 4.228 1.00 0.00 N ATOM 1102 CA GLU A 72 -12.431 -0.233 4.483 1.00 0.00 C ATOM 1103 C GLU A 72 -11.721 -1.056 3.412 1.00 0.00 C ATOM 1104 O GLU A 72 -11.052 -2.043 3.714 1.00 0.00 O ATOM 1105 CB GLU A 72 -13.913 -0.610 4.532 1.00 0.00 C ATOM 1106 CG GLU A 72 -14.568 -0.331 5.874 1.00 0.00 C ATOM 1107 CD GLU A 72 -14.977 -1.598 6.599 1.00 0.00 C ATOM 1108 OE1 GLU A 72 -16.111 -2.070 6.375 1.00 0.00 O ATOM 1109 OE2 GLU A 72 -14.162 -2.119 7.390 1.00 0.00 O ATOM 0 H GLU A 72 -13.119 1.652 3.872 1.00 0.00 H new ATOM 0 HA GLU A 72 -11.975 -0.454 5.448 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -14.445 -0.060 3.756 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -14.017 -1.670 4.300 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -13.878 0.235 6.500 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -15.447 0.296 5.722 1.00 0.00 H new ATOM 1116 N ALA A 73 -11.873 -0.641 2.158 1.00 0.00 N ATOM 1117 CA ALA A 73 -11.246 -1.338 1.042 1.00 0.00 C ATOM 1118 C ALA A 73 -9.727 -1.211 1.099 1.00 0.00 C ATOM 1119 O ALA A 73 -9.003 -2.082 0.618 1.00 0.00 O ATOM 1120 CB ALA A 73 -11.773 -0.799 -0.280 1.00 0.00 C ATOM 0 H ALA A 73 -12.425 0.174 1.890 1.00 0.00 H new ATOM 0 HA ALA A 73 -11.499 -2.395 1.118 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -11.296 -1.329 -1.105 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -12.852 -0.947 -0.329 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -11.549 0.265 -0.354 1.00 0.00 H new ATOM 1126 N ALA A 74 -9.251 -0.119 1.689 1.00 0.00 N ATOM 1127 CA ALA A 74 -7.819 0.121 1.809 1.00 0.00 C ATOM 1128 C ALA A 74 -7.279 -0.424 3.128 1.00 0.00 C ATOM 1129 O ALA A 74 -6.093 -0.733 3.245 1.00 0.00 O ATOM 1130 CB ALA A 74 -7.521 1.608 1.690 1.00 0.00 C ATOM 0 H ALA A 74 -9.837 0.613 2.091 1.00 0.00 H new ATOM 0 HA ALA A 74 -7.319 -0.405 0.996 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -6.447 1.772 1.782 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -7.862 1.971 0.721 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -8.040 2.148 2.483 1.00 0.00 H new ATOM 1136 N LYS A 75 -8.158 -0.541 4.118 1.00 0.00 N ATOM 1137 CA LYS A 75 -7.771 -1.049 5.428 1.00 0.00 C ATOM 1138 C LYS A 75 -7.667 -2.571 5.412 1.00 0.00 C ATOM 1139 O LYS A 75 -6.601 -3.134 5.665 1.00 0.00 O ATOM 1140 CB LYS A 75 -8.783 -0.608 6.488 1.00 0.00 C ATOM 1141 CG LYS A 75 -8.772 -1.473 7.737 1.00 0.00 C ATOM 1142 CD LYS A 75 -8.663 -0.631 8.997 1.00 0.00 C ATOM 1143 CE LYS A 75 -9.884 0.258 9.181 1.00 0.00 C ATOM 1144 NZ LYS A 75 -9.512 1.694 9.308 1.00 0.00 N ATOM 0 H LYS A 75 -9.143 -0.291 4.037 1.00 0.00 H new ATOM 0 HA LYS A 75 -6.792 -0.638 5.675 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -8.575 0.424 6.769 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -9.782 -0.625 6.053 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -9.683 -2.070 7.775 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -7.935 -2.170 7.691 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -8.553 -1.283 9.863 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -7.766 -0.013 8.947 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -10.557 0.131 8.333 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -10.430 -0.055 10.071 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -10.372 2.266 9.432 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -8.891 1.820 10.132 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -9.013 2.001 8.449 1.00 0.00 H new ATOM 1158 N LYS A 76 -8.779 -3.232 5.112 1.00 0.00 N ATOM 1159 CA LYS A 76 -8.814 -4.689 5.059 1.00 0.00 C ATOM 1160 C LYS A 76 -7.706 -5.227 4.160 1.00 0.00 C ATOM 1161 O LYS A 76 -7.095 -6.253 4.459 1.00 0.00 O ATOM 1162 CB LYS A 76 -10.175 -5.170 4.553 1.00 0.00 C ATOM 1163 CG LYS A 76 -10.959 -5.969 5.580 1.00 0.00 C ATOM 1164 CD LYS A 76 -12.406 -5.513 5.656 1.00 0.00 C ATOM 1165 CE LYS A 76 -13.305 -6.361 4.768 1.00 0.00 C ATOM 1166 NZ LYS A 76 -13.840 -5.583 3.617 1.00 0.00 N ATOM 0 H LYS A 76 -9.670 -2.782 4.901 1.00 0.00 H new ATOM 0 HA LYS A 76 -8.655 -5.068 6.069 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -10.766 -4.306 4.249 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -10.027 -5.783 3.664 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -10.923 -7.028 5.323 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -10.491 -5.863 6.559 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -12.753 -5.571 6.688 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -12.476 -4.468 5.354 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -12.744 -7.219 4.397 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -14.133 -6.753 5.358 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -14.447 -6.196 3.036 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -14.396 -4.779 3.970 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -13.050 -5.231 3.039 1.00 0.00 H new ATOM 1180 N GLU A 77 -7.452 -4.528 3.058 1.00 0.00 N ATOM 1181 CA GLU A 77 -6.417 -4.937 2.116 1.00 0.00 C ATOM 1182 C GLU A 77 -5.026 -4.711 2.704 1.00 0.00 C ATOM 1183 O GLU A 77 -4.164 -5.587 2.638 1.00 0.00 O ATOM 1184 CB GLU A 77 -6.558 -4.165 0.802 1.00 0.00 C ATOM 1185 CG GLU A 77 -5.699 -2.913 0.736 1.00 0.00 C ATOM 1186 CD GLU A 77 -5.858 -2.166 -0.574 1.00 0.00 C ATOM 1187 OE1 GLU A 77 -7.012 -1.944 -0.995 1.00 0.00 O ATOM 1188 OE2 GLU A 77 -4.826 -1.802 -1.177 1.00 0.00 O ATOM 0 H GLU A 77 -7.949 -3.676 2.796 1.00 0.00 H new ATOM 0 HA GLU A 77 -6.541 -6.002 1.919 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -6.292 -4.822 -0.026 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -7.603 -3.886 0.665 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -5.963 -2.252 1.561 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -4.652 -3.187 0.869 1.00 0.00 H new ATOM 1195 N TYR A 78 -4.817 -3.532 3.277 1.00 0.00 N ATOM 1196 CA TYR A 78 -3.532 -3.189 3.874 1.00 0.00 C ATOM 1197 C TYR A 78 -2.990 -4.349 4.705 1.00 0.00 C ATOM 1198 O TYR A 78 -1.824 -4.725 4.581 1.00 0.00 O ATOM 1199 CB TYR A 78 -3.668 -1.941 4.748 1.00 0.00 C ATOM 1200 CG TYR A 78 -2.436 -1.642 5.573 1.00 0.00 C ATOM 1201 CD1 TYR A 78 -1.216 -1.378 4.964 1.00 0.00 C ATOM 1202 CD2 TYR A 78 -2.494 -1.623 6.961 1.00 0.00 C ATOM 1203 CE1 TYR A 78 -0.088 -1.105 5.713 1.00 0.00 C ATOM 1204 CE2 TYR A 78 -1.371 -1.350 7.719 1.00 0.00 C ATOM 1205 CZ TYR A 78 -0.171 -1.092 7.090 1.00 0.00 C ATOM 1206 OH TYR A 78 0.950 -0.819 7.840 1.00 0.00 O ATOM 0 H TYR A 78 -5.521 -2.797 3.341 1.00 0.00 H new ATOM 0 HA TYR A 78 -2.829 -2.984 3.067 1.00 0.00 H new ATOM 0 HB2 TYR A 78 -3.885 -1.084 4.111 1.00 0.00 H new ATOM 0 HB3 TYR A 78 -4.520 -2.066 5.416 1.00 0.00 H new ATOM 0 HD1 TYR A 78 -1.148 -1.386 3.886 1.00 0.00 H new ATOM 0 HD2 TYR A 78 -3.432 -1.825 7.456 1.00 0.00 H new ATOM 0 HE1 TYR A 78 0.853 -0.903 5.224 1.00 0.00 H new ATOM 0 HE2 TYR A 78 -1.433 -1.339 8.797 1.00 0.00 H new ATOM 0 HH TYR A 78 0.721 -0.848 8.793 1.00 0.00 H new ATOM 1216 N LEU A 79 -3.846 -4.912 5.551 1.00 0.00 N ATOM 1217 CA LEU A 79 -3.456 -6.030 6.402 1.00 0.00 C ATOM 1218 C LEU A 79 -3.028 -7.230 5.564 1.00 0.00 C ATOM 1219 O LEU A 79 -1.976 -7.824 5.801 1.00 0.00 O ATOM 1220 CB LEU A 79 -4.612 -6.423 7.323 1.00 0.00 C ATOM 1221 CG LEU A 79 -4.786 -5.573 8.582 1.00 0.00 C ATOM 1222 CD1 LEU A 79 -5.325 -4.196 8.227 1.00 0.00 C ATOM 1223 CD2 LEU A 79 -5.709 -6.269 9.572 1.00 0.00 C ATOM 0 H LEU A 79 -4.814 -4.612 5.666 1.00 0.00 H new ATOM 0 HA LEU A 79 -2.608 -5.713 7.009 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -5.538 -6.380 6.749 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -4.472 -7.461 7.626 1.00 0.00 H new ATOM 0 HG LEU A 79 -3.810 -5.449 9.050 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -5.442 -3.606 9.136 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -4.628 -3.694 7.556 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -6.292 -4.300 7.735 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -5.821 -5.650 10.462 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -6.685 -6.424 9.112 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -5.282 -7.232 9.852 1.00 0.00 H new