USER MOD reduce.3.24.130724 H: found=0, std=0, add=465, rem=0, adj=14 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= 0.00889 USER MOD Single : A 25 TYR OH : rot 180:sc= -0.121 USER MOD Single : A 32 THR OG1 : rot -148:sc= -1.18! USER MOD Single : A 33 GLN : amide:sc= 0 X(o=0,f=-0.0028) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 GLN : amide:sc= 0.00642 X(o=0.0064,f=0) USER MOD Single : A 40 ASN : amide:sc= -0.0791 X(o=-0.079,f=-0.24) USER MOD Single : A 42 ASN : amide:sc= -0.302 X(o=-0.3,f=-0.014) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 SER OG : rot -68:sc= 0.99 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 163:sc= -1.11 (180deg=-1.61) USER MOD Single : A 63 GLN : amide:sc= -0.154 K(o=-0.15,f=-1.4) USER MOD Single : A 64 LYS NZ :NH3+ -152:sc= 0 (180deg=-0.351) USER MOD Single : A 65 GLN : amide:sc= -0.707 K(o=-0.71,f=-2!) USER MOD Single : A 67 TYR OH : rot 165:sc= -0.157 USER MOD Single : A 68 LYS NZ :NH3+ -148:sc=-0.00135 (180deg=-0.337) USER MOD Single : A 69 LYS NZ :NH3+ 147:sc= 0.0563 (180deg=0) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 THR OG1 : rot 77:sc= 0.796 USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 LYS NZ :NH3+ -168:sc= 0 (180deg=-0.0457) USER MOD Single : A 78 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 306 N PRO A 21 -3.545 2.798 6.048 1.00 0.00 N ATOM 307 CA PRO A 21 -4.472 3.834 5.583 1.00 0.00 C ATOM 308 C PRO A 21 -5.120 4.592 6.737 1.00 0.00 C ATOM 309 O PRO A 21 -5.343 4.034 7.812 1.00 0.00 O ATOM 310 CB PRO A 21 -5.526 3.044 4.804 1.00 0.00 C ATOM 311 CG PRO A 21 -5.486 1.676 5.393 1.00 0.00 C ATOM 312 CD PRO A 21 -4.057 1.440 5.797 1.00 0.00 C ATOM 0 HA PRO A 21 -3.967 4.596 4.990 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -6.514 3.492 4.909 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -5.298 3.023 3.738 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -6.152 1.602 6.253 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -5.815 0.930 4.670 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -3.989 0.814 6.687 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -3.495 0.938 5.010 1.00 0.00 H new ATOM 320 N VAL A 22 -5.422 5.866 6.508 1.00 0.00 N ATOM 321 CA VAL A 22 -6.046 6.700 7.528 1.00 0.00 C ATOM 322 C VAL A 22 -7.565 6.573 7.487 1.00 0.00 C ATOM 323 O VAL A 22 -8.128 6.045 6.529 1.00 0.00 O ATOM 324 CB VAL A 22 -5.660 8.181 7.355 1.00 0.00 C ATOM 325 CG1 VAL A 22 -4.150 8.332 7.260 1.00 0.00 C ATOM 326 CG2 VAL A 22 -6.341 8.769 6.128 1.00 0.00 C ATOM 0 H VAL A 22 -5.244 6.343 5.624 1.00 0.00 H new ATOM 0 HA VAL A 22 -5.681 6.348 8.493 1.00 0.00 H new ATOM 0 HB VAL A 22 -6.002 8.732 8.231 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -3.897 9.385 7.138 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -3.688 7.951 8.171 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -3.781 7.769 6.403 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -6.057 9.816 6.021 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -6.032 8.217 5.241 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -7.423 8.696 6.242 1.00 0.00 H new ATOM 336 N SER A 23 -8.222 7.063 8.534 1.00 0.00 N ATOM 337 CA SER A 23 -9.676 7.002 8.620 1.00 0.00 C ATOM 338 C SER A 23 -10.321 7.686 7.418 1.00 0.00 C ATOM 339 O SER A 23 -9.636 8.090 6.479 1.00 0.00 O ATOM 340 CB SER A 23 -10.160 7.658 9.914 1.00 0.00 C ATOM 341 OG SER A 23 -11.362 7.062 10.370 1.00 0.00 O ATOM 0 H SER A 23 -7.770 7.506 9.334 1.00 0.00 H new ATOM 0 HA SER A 23 -9.971 5.953 8.621 1.00 0.00 H new ATOM 0 HB2 SER A 23 -9.391 7.566 10.681 1.00 0.00 H new ATOM 0 HB3 SER A 23 -10.319 8.723 9.748 1.00 0.00 H new ATOM 0 HG SER A 23 -11.649 7.498 11.199 1.00 0.00 H new ATOM 347 N ALA A 24 -11.643 7.813 7.456 1.00 0.00 N ATOM 348 CA ALA A 24 -12.381 8.450 6.372 1.00 0.00 C ATOM 349 C ALA A 24 -12.086 9.944 6.311 1.00 0.00 C ATOM 350 O ALA A 24 -11.646 10.459 5.282 1.00 0.00 O ATOM 351 CB ALA A 24 -13.874 8.211 6.539 1.00 0.00 C ATOM 0 H ALA A 24 -12.225 7.483 8.226 1.00 0.00 H new ATOM 0 HA ALA A 24 -12.056 8.004 5.432 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -14.413 8.692 5.723 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -14.075 7.140 6.525 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -14.205 8.630 7.489 1.00 0.00 H new ATOM 357 N TYR A 25 -12.331 10.637 7.418 1.00 0.00 N ATOM 358 CA TYR A 25 -12.094 12.074 7.488 1.00 0.00 C ATOM 359 C TYR A 25 -10.616 12.393 7.285 1.00 0.00 C ATOM 360 O TYR A 25 -10.255 13.516 6.934 1.00 0.00 O ATOM 361 CB TYR A 25 -12.565 12.624 8.836 1.00 0.00 C ATOM 362 CG TYR A 25 -11.974 13.972 9.180 1.00 0.00 C ATOM 363 CD1 TYR A 25 -12.011 15.021 8.270 1.00 0.00 C ATOM 364 CD2 TYR A 25 -11.379 14.197 10.415 1.00 0.00 C ATOM 365 CE1 TYR A 25 -11.472 16.255 8.580 1.00 0.00 C ATOM 366 CE2 TYR A 25 -10.838 15.428 10.734 1.00 0.00 C ATOM 367 CZ TYR A 25 -10.886 16.453 9.813 1.00 0.00 C ATOM 368 OH TYR A 25 -10.349 17.681 10.125 1.00 0.00 O ATOM 0 H TYR A 25 -12.693 10.227 8.279 1.00 0.00 H new ATOM 0 HA TYR A 25 -12.663 12.550 6.689 1.00 0.00 H new ATOM 0 HB2 TYR A 25 -13.652 12.705 8.826 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -12.306 11.912 9.620 1.00 0.00 H new ATOM 0 HD1 TYR A 25 -12.469 14.869 7.304 1.00 0.00 H new ATOM 0 HD2 TYR A 25 -11.339 13.396 11.138 1.00 0.00 H new ATOM 0 HE1 TYR A 25 -11.509 17.060 7.861 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -10.380 15.586 11.699 1.00 0.00 H new ATOM 0 HH TYR A 25 -9.977 17.654 11.031 1.00 0.00 H new ATOM 378 N ALA A 26 -9.766 11.396 7.507 1.00 0.00 N ATOM 379 CA ALA A 26 -8.328 11.568 7.345 1.00 0.00 C ATOM 380 C ALA A 26 -7.924 11.470 5.878 1.00 0.00 C ATOM 381 O ALA A 26 -7.083 12.233 5.402 1.00 0.00 O ATOM 382 CB ALA A 26 -7.577 10.535 8.172 1.00 0.00 C ATOM 0 H ALA A 26 -10.049 10.461 7.800 1.00 0.00 H new ATOM 0 HA ALA A 26 -8.064 12.564 7.701 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -6.504 10.675 8.042 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -7.833 10.655 9.225 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -7.855 9.534 7.843 1.00 0.00 H new ATOM 388 N LEU A 27 -8.529 10.525 5.166 1.00 0.00 N ATOM 389 CA LEU A 27 -8.232 10.326 3.751 1.00 0.00 C ATOM 390 C LEU A 27 -8.412 11.623 2.969 1.00 0.00 C ATOM 391 O LEU A 27 -7.781 11.828 1.932 1.00 0.00 O ATOM 392 CB LEU A 27 -9.134 9.236 3.169 1.00 0.00 C ATOM 393 CG LEU A 27 -8.517 7.841 3.063 1.00 0.00 C ATOM 394 CD1 LEU A 27 -9.591 6.772 3.190 1.00 0.00 C ATOM 395 CD2 LEU A 27 -7.764 7.689 1.749 1.00 0.00 C ATOM 0 H LEU A 27 -9.227 9.885 5.545 1.00 0.00 H new ATOM 0 HA LEU A 27 -7.192 10.013 3.664 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -10.032 9.169 3.783 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -9.451 9.548 2.174 1.00 0.00 H new ATOM 0 HG LEU A 27 -7.808 7.715 3.882 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -9.134 5.786 3.112 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -10.086 6.867 4.156 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -10.324 6.896 2.393 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -7.332 6.690 1.691 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -8.452 7.836 0.916 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -6.968 8.432 1.697 1.00 0.00 H new ATOM 407 N PHE A 28 -9.278 12.496 3.474 1.00 0.00 N ATOM 408 CA PHE A 28 -9.541 13.775 2.823 1.00 0.00 C ATOM 409 C PHE A 28 -8.576 14.847 3.321 1.00 0.00 C ATOM 410 O PHE A 28 -8.394 15.881 2.678 1.00 0.00 O ATOM 411 CB PHE A 28 -10.984 14.213 3.078 1.00 0.00 C ATOM 412 CG PHE A 28 -11.239 15.657 2.752 1.00 0.00 C ATOM 413 CD1 PHE A 28 -11.270 16.089 1.435 1.00 0.00 C ATOM 414 CD2 PHE A 28 -11.447 16.583 3.761 1.00 0.00 C ATOM 415 CE1 PHE A 28 -11.503 17.417 1.133 1.00 0.00 C ATOM 416 CE2 PHE A 28 -11.681 17.912 3.465 1.00 0.00 C ATOM 417 CZ PHE A 28 -11.710 18.330 2.149 1.00 0.00 C ATOM 0 H PHE A 28 -9.809 12.342 4.331 1.00 0.00 H new ATOM 0 HA PHE A 28 -9.392 13.647 1.751 1.00 0.00 H new ATOM 0 HB2 PHE A 28 -11.654 13.591 2.485 1.00 0.00 H new ATOM 0 HB3 PHE A 28 -11.229 14.037 4.125 1.00 0.00 H new ATOM 0 HD1 PHE A 28 -11.110 15.380 0.636 1.00 0.00 H new ATOM 0 HD2 PHE A 28 -11.426 16.262 4.792 1.00 0.00 H new ATOM 0 HE1 PHE A 28 -11.523 17.741 0.103 1.00 0.00 H new ATOM 0 HE2 PHE A 28 -11.841 18.623 4.262 1.00 0.00 H new ATOM 0 HZ PHE A 28 -11.894 19.368 1.915 1.00 0.00 H new ATOM 427 N PHE A 29 -7.962 14.593 4.472 1.00 0.00 N ATOM 428 CA PHE A 29 -7.017 15.537 5.058 1.00 0.00 C ATOM 429 C PHE A 29 -5.681 15.497 4.323 1.00 0.00 C ATOM 430 O PHE A 29 -5.044 16.529 4.113 1.00 0.00 O ATOM 431 CB PHE A 29 -6.805 15.224 6.541 1.00 0.00 C ATOM 432 CG PHE A 29 -5.800 16.121 7.205 1.00 0.00 C ATOM 433 CD1 PHE A 29 -4.442 15.875 7.076 1.00 0.00 C ATOM 434 CD2 PHE A 29 -6.212 17.208 7.958 1.00 0.00 C ATOM 435 CE1 PHE A 29 -3.514 16.699 7.686 1.00 0.00 C ATOM 436 CE2 PHE A 29 -5.288 18.035 8.570 1.00 0.00 C ATOM 437 CZ PHE A 29 -3.938 17.779 8.434 1.00 0.00 C ATOM 0 H PHE A 29 -8.102 13.742 5.017 1.00 0.00 H new ATOM 0 HA PHE A 29 -7.435 16.539 4.961 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -7.758 15.311 7.062 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -6.479 14.189 6.643 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -4.105 15.031 6.493 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -7.267 17.412 8.068 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -2.458 16.498 7.577 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -5.622 18.880 9.154 1.00 0.00 H new ATOM 0 HZ PHE A 29 -3.215 18.423 8.912 1.00 0.00 H new ATOM 447 N ARG A 30 -5.262 14.297 3.934 1.00 0.00 N ATOM 448 CA ARG A 30 -4.001 14.120 3.224 1.00 0.00 C ATOM 449 C ARG A 30 -4.160 14.452 1.743 1.00 0.00 C ATOM 450 O ARG A 30 -3.179 14.707 1.044 1.00 0.00 O ATOM 451 CB ARG A 30 -3.497 12.685 3.384 1.00 0.00 C ATOM 452 CG ARG A 30 -4.466 11.637 2.863 1.00 0.00 C ATOM 453 CD ARG A 30 -3.963 10.228 3.137 1.00 0.00 C ATOM 454 NE ARG A 30 -2.963 9.805 2.160 1.00 0.00 N ATOM 455 CZ ARG A 30 -1.668 10.080 2.268 1.00 0.00 C ATOM 456 NH1 ARG A 30 -1.219 10.775 3.305 1.00 0.00 N ATOM 457 NH2 ARG A 30 -0.819 9.661 1.339 1.00 0.00 N ATOM 0 H ARG A 30 -5.778 13.433 4.099 1.00 0.00 H new ATOM 0 HA ARG A 30 -3.271 14.804 3.656 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -2.547 12.582 2.859 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -3.301 12.493 4.439 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -5.440 11.775 3.333 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -4.608 11.772 1.791 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -3.533 10.185 4.138 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -4.803 9.533 3.120 1.00 0.00 H new ATOM 0 HE ARG A 30 -3.276 9.269 1.351 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -1.869 11.099 4.021 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -0.224 10.985 3.386 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -1.160 9.127 0.540 1.00 0.00 H new ATOM 0 HH22 ARG A 30 0.175 9.873 1.424 1.00 0.00 H new ATOM 471 N ASP A 31 -5.402 14.447 1.271 1.00 0.00 N ATOM 472 CA ASP A 31 -5.690 14.748 -0.126 1.00 0.00 C ATOM 473 C ASP A 31 -5.876 16.248 -0.332 1.00 0.00 C ATOM 474 O ASP A 31 -5.559 16.784 -1.394 1.00 0.00 O ATOM 475 CB ASP A 31 -6.942 13.998 -0.584 1.00 0.00 C ATOM 476 CG ASP A 31 -6.649 13.000 -1.687 1.00 0.00 C ATOM 477 OD1 ASP A 31 -6.088 11.926 -1.382 1.00 0.00 O ATOM 478 OD2 ASP A 31 -6.982 13.291 -2.854 1.00 0.00 O ATOM 0 H ASP A 31 -6.225 14.238 1.836 1.00 0.00 H new ATOM 0 HA ASP A 31 -4.840 14.420 -0.725 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -7.381 13.476 0.267 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -7.684 14.716 -0.935 1.00 0.00 H new ATOM 483 N THR A 32 -6.395 16.920 0.691 1.00 0.00 N ATOM 484 CA THR A 32 -6.626 18.358 0.621 1.00 0.00 C ATOM 485 C THR A 32 -5.433 19.133 1.167 1.00 0.00 C ATOM 486 O THR A 32 -4.937 20.058 0.525 1.00 0.00 O ATOM 487 CB THR A 32 -7.889 18.762 1.406 1.00 0.00 C ATOM 488 OG1 THR A 32 -8.916 17.781 1.220 1.00 0.00 O ATOM 489 CG2 THR A 32 -8.393 20.124 0.954 1.00 0.00 C ATOM 0 H THR A 32 -6.663 16.492 1.577 1.00 0.00 H new ATOM 0 HA THR A 32 -6.766 18.606 -0.431 1.00 0.00 H new ATOM 0 HB THR A 32 -7.631 18.820 2.463 1.00 0.00 H new ATOM 0 HG1 THR A 32 -9.793 18.217 1.244 1.00 0.00 H new ATOM 0 HG21 THR A 32 -9.285 20.389 1.522 1.00 0.00 H new ATOM 0 HG22 THR A 32 -7.619 20.873 1.124 1.00 0.00 H new ATOM 0 HG23 THR A 32 -8.636 20.088 -0.108 1.00 0.00 H new ATOM 497 N GLN A 33 -4.976 18.749 2.355 1.00 0.00 N ATOM 498 CA GLN A 33 -3.840 19.410 2.986 1.00 0.00 C ATOM 499 C GLN A 33 -2.825 19.863 1.942 1.00 0.00 C ATOM 500 O GLN A 33 -2.519 21.050 1.834 1.00 0.00 O ATOM 501 CB GLN A 33 -3.171 18.471 3.992 1.00 0.00 C ATOM 502 CG GLN A 33 -1.869 19.014 4.557 1.00 0.00 C ATOM 503 CD GLN A 33 -0.778 17.963 4.621 1.00 0.00 C ATOM 504 OE1 GLN A 33 -0.581 17.317 5.651 1.00 0.00 O ATOM 505 NE2 GLN A 33 -0.060 17.786 3.518 1.00 0.00 N ATOM 0 H GLN A 33 -5.375 17.984 2.899 1.00 0.00 H new ATOM 0 HA GLN A 33 -4.210 20.290 3.512 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -3.862 18.280 4.813 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -2.977 17.513 3.509 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -1.530 19.847 3.942 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -2.048 19.408 5.557 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -0.257 18.343 2.686 1.00 0.00 H new ATOM 0 HE22 GLN A 33 0.688 17.093 3.502 1.00 0.00 H new ATOM 514 N ALA A 34 -2.306 18.909 1.176 1.00 0.00 N ATOM 515 CA ALA A 34 -1.326 19.211 0.140 1.00 0.00 C ATOM 516 C ALA A 34 -1.708 20.473 -0.626 1.00 0.00 C ATOM 517 O ALA A 34 -0.903 21.394 -0.764 1.00 0.00 O ATOM 518 CB ALA A 34 -1.188 18.034 -0.815 1.00 0.00 C ATOM 0 H ALA A 34 -2.548 17.921 1.253 1.00 0.00 H new ATOM 0 HA ALA A 34 -0.365 19.388 0.624 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -0.453 18.273 -1.584 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -0.861 17.153 -0.262 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -2.151 17.831 -1.284 1.00 0.00 H new ATOM 524 N ALA A 35 -2.940 20.509 -1.123 1.00 0.00 N ATOM 525 CA ALA A 35 -3.428 21.659 -1.873 1.00 0.00 C ATOM 526 C ALA A 35 -3.434 22.916 -1.010 1.00 0.00 C ATOM 527 O ALA A 35 -3.207 24.020 -1.504 1.00 0.00 O ATOM 528 CB ALA A 35 -4.822 21.382 -2.416 1.00 0.00 C ATOM 0 H ALA A 35 -3.618 19.754 -1.019 1.00 0.00 H new ATOM 0 HA ALA A 35 -2.751 21.829 -2.710 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -5.174 22.250 -2.974 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -4.790 20.515 -3.076 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -5.502 21.183 -1.588 1.00 0.00 H new ATOM 534 N ILE A 36 -3.696 22.740 0.281 1.00 0.00 N ATOM 535 CA ILE A 36 -3.732 23.860 1.212 1.00 0.00 C ATOM 536 C ILE A 36 -2.328 24.385 1.495 1.00 0.00 C ATOM 537 O ILE A 36 -2.001 25.525 1.166 1.00 0.00 O ATOM 538 CB ILE A 36 -4.397 23.465 2.544 1.00 0.00 C ATOM 539 CG1 ILE A 36 -5.702 22.710 2.282 1.00 0.00 C ATOM 540 CG2 ILE A 36 -4.654 24.699 3.395 1.00 0.00 C ATOM 541 CD1 ILE A 36 -6.793 23.577 1.693 1.00 0.00 C ATOM 0 H ILE A 36 -3.886 21.832 0.705 1.00 0.00 H new ATOM 0 HA ILE A 36 -4.323 24.644 0.739 1.00 0.00 H new ATOM 0 HB ILE A 36 -3.721 22.807 3.090 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -5.503 21.880 1.604 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -6.057 22.279 3.218 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -5.124 24.403 4.333 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -3.709 25.199 3.605 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -5.314 25.381 2.858 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -7.689 22.977 1.533 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -7.020 24.392 2.380 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -6.457 23.988 0.741 1.00 0.00 H new ATOM 553 N LYS A 37 -1.500 23.544 2.105 1.00 0.00 N ATOM 554 CA LYS A 37 -0.129 23.920 2.430 1.00 0.00 C ATOM 555 C LYS A 37 0.588 24.475 1.203 1.00 0.00 C ATOM 556 O LYS A 37 1.391 25.401 1.308 1.00 0.00 O ATOM 557 CB LYS A 37 0.636 22.713 2.978 1.00 0.00 C ATOM 558 CG LYS A 37 1.413 23.011 4.249 1.00 0.00 C ATOM 559 CD LYS A 37 2.746 23.674 3.946 1.00 0.00 C ATOM 560 CE LYS A 37 3.906 22.888 4.536 1.00 0.00 C ATOM 561 NZ LYS A 37 5.139 23.717 4.645 1.00 0.00 N ATOM 0 H LYS A 37 -1.755 22.597 2.385 1.00 0.00 H new ATOM 0 HA LYS A 37 -0.163 24.698 3.193 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -0.069 21.905 3.174 1.00 0.00 H new ATOM 0 HB3 LYS A 37 1.327 22.355 2.215 1.00 0.00 H new ATOM 0 HG2 LYS A 37 0.821 23.660 4.894 1.00 0.00 H new ATOM 0 HG3 LYS A 37 1.583 22.085 4.798 1.00 0.00 H new ATOM 0 HD2 LYS A 37 2.874 23.759 2.867 1.00 0.00 H new ATOM 0 HD3 LYS A 37 2.750 24.687 4.348 1.00 0.00 H new ATOM 0 HE2 LYS A 37 3.629 22.517 5.523 1.00 0.00 H new ATOM 0 HE3 LYS A 37 4.108 22.016 3.913 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 5.907 23.145 5.052 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 5.418 24.050 3.700 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 4.954 24.535 5.260 1.00 0.00 H new ATOM 575 N GLY A 38 0.290 23.904 0.040 1.00 0.00 N ATOM 576 CA GLY A 38 0.914 24.356 -1.190 1.00 0.00 C ATOM 577 C GLY A 38 0.675 25.830 -1.453 1.00 0.00 C ATOM 578 O GLY A 38 1.579 26.542 -1.889 1.00 0.00 O ATOM 0 H GLY A 38 -0.372 23.137 -0.072 1.00 0.00 H new ATOM 0 HA2 GLY A 38 1.987 24.168 -1.140 1.00 0.00 H new ATOM 0 HA3 GLY A 38 0.527 23.773 -2.026 1.00 0.00 H new ATOM 582 N GLN A 39 -0.545 26.286 -1.190 1.00 0.00 N ATOM 583 CA GLN A 39 -0.899 27.684 -1.403 1.00 0.00 C ATOM 584 C GLN A 39 -0.453 28.545 -0.226 1.00 0.00 C ATOM 585 O GLN A 39 -0.235 29.747 -0.372 1.00 0.00 O ATOM 586 CB GLN A 39 -2.409 27.824 -1.609 1.00 0.00 C ATOM 587 CG GLN A 39 -2.853 27.573 -3.041 1.00 0.00 C ATOM 588 CD GLN A 39 -4.361 27.591 -3.196 1.00 0.00 C ATOM 589 OE1 GLN A 39 -4.950 28.617 -3.536 1.00 0.00 O ATOM 590 NE2 GLN A 39 -4.995 26.451 -2.946 1.00 0.00 N ATOM 0 H GLN A 39 -1.304 25.708 -0.829 1.00 0.00 H new ATOM 0 HA GLN A 39 -0.383 28.030 -2.298 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -2.924 27.125 -0.950 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -2.716 28.827 -1.312 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -2.416 28.331 -3.691 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -2.469 26.608 -3.373 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -4.467 25.624 -2.667 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -6.010 26.402 -3.033 1.00 0.00 H new ATOM 599 N ASN A 40 -0.319 27.921 0.940 1.00 0.00 N ATOM 600 CA ASN A 40 0.100 28.631 2.143 1.00 0.00 C ATOM 601 C ASN A 40 1.180 27.851 2.886 1.00 0.00 C ATOM 602 O ASN A 40 0.913 27.143 3.857 1.00 0.00 O ATOM 603 CB ASN A 40 -1.098 28.869 3.064 1.00 0.00 C ATOM 604 CG ASN A 40 -2.392 29.048 2.294 1.00 0.00 C ATOM 605 OD1 ASN A 40 -2.556 30.015 1.550 1.00 0.00 O ATOM 606 ND2 ASN A 40 -3.319 28.113 2.470 1.00 0.00 N ATOM 0 H ASN A 40 -0.494 26.926 1.077 1.00 0.00 H new ATOM 0 HA ASN A 40 0.514 29.593 1.841 1.00 0.00 H new ATOM 0 HB2 ASN A 40 -1.199 28.027 3.749 1.00 0.00 H new ATOM 0 HB3 ASN A 40 -0.915 29.755 3.672 1.00 0.00 H new ATOM 0 HD21 ASN A 40 -4.210 28.179 1.978 1.00 0.00 H new ATOM 0 HD22 ASN A 40 -3.140 27.329 3.097 1.00 0.00 H new ATOM 613 N PRO A 41 2.431 27.982 2.420 1.00 0.00 N ATOM 614 CA PRO A 41 3.577 27.298 3.027 1.00 0.00 C ATOM 615 C PRO A 41 3.926 27.858 4.401 1.00 0.00 C ATOM 616 O PRO A 41 4.790 27.326 5.097 1.00 0.00 O ATOM 617 CB PRO A 41 4.714 27.565 2.037 1.00 0.00 C ATOM 618 CG PRO A 41 4.325 28.825 1.344 1.00 0.00 C ATOM 619 CD PRO A 41 2.824 28.809 1.266 1.00 0.00 C ATOM 0 HA PRO A 41 3.378 26.240 3.194 1.00 0.00 H new ATOM 0 HB2 PRO A 41 5.669 27.675 2.551 1.00 0.00 H new ATOM 0 HB3 PRO A 41 4.825 26.743 1.330 1.00 0.00 H new ATOM 0 HG2 PRO A 41 4.678 29.698 1.894 1.00 0.00 H new ATOM 0 HG3 PRO A 41 4.767 28.875 0.349 1.00 0.00 H new ATOM 0 HD2 PRO A 41 2.408 29.814 1.332 1.00 0.00 H new ATOM 0 HD3 PRO A 41 2.475 28.380 0.327 1.00 0.00 H new ATOM 627 N ASN A 42 3.247 28.933 4.787 1.00 0.00 N ATOM 628 CA ASN A 42 3.485 29.565 6.079 1.00 0.00 C ATOM 629 C ASN A 42 2.763 28.814 7.194 1.00 0.00 C ATOM 630 O ASN A 42 3.175 28.855 8.352 1.00 0.00 O ATOM 631 CB ASN A 42 3.023 31.024 6.050 1.00 0.00 C ATOM 632 CG ASN A 42 3.262 31.732 7.370 1.00 0.00 C ATOM 633 OD1 ASN A 42 4.300 32.363 7.569 1.00 0.00 O ATOM 634 ND2 ASN A 42 2.299 31.630 8.279 1.00 0.00 N ATOM 0 H ASN A 42 2.527 29.385 4.223 1.00 0.00 H new ATOM 0 HA ASN A 42 4.556 29.534 6.278 1.00 0.00 H new ATOM 0 HB2 ASN A 42 3.550 31.553 5.256 1.00 0.00 H new ATOM 0 HB3 ASN A 42 1.961 31.061 5.808 1.00 0.00 H new ATOM 0 HD21 ASN A 42 2.403 32.085 9.186 1.00 0.00 H new ATOM 0 HD22 ASN A 42 1.455 31.096 8.070 1.00 0.00 H new ATOM 641 N ALA A 43 1.684 28.127 6.834 1.00 0.00 N ATOM 642 CA ALA A 43 0.906 27.364 7.802 1.00 0.00 C ATOM 643 C ALA A 43 1.765 26.302 8.481 1.00 0.00 C ATOM 644 O ALA A 43 2.596 25.657 7.841 1.00 0.00 O ATOM 645 CB ALA A 43 -0.295 26.720 7.125 1.00 0.00 C ATOM 0 H ALA A 43 1.329 28.083 5.879 1.00 0.00 H new ATOM 0 HA ALA A 43 0.551 28.052 8.569 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -0.867 26.153 7.860 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -0.928 27.495 6.692 1.00 0.00 H new ATOM 0 HB3 ALA A 43 0.048 26.050 6.337 1.00 0.00 H new ATOM 651 N THR A 44 1.559 26.124 9.782 1.00 0.00 N ATOM 652 CA THR A 44 2.315 25.141 10.548 1.00 0.00 C ATOM 653 C THR A 44 1.406 24.037 11.075 1.00 0.00 C ATOM 654 O THR A 44 1.247 23.874 12.285 1.00 0.00 O ATOM 655 CB THR A 44 3.047 25.797 11.734 1.00 0.00 C ATOM 656 OG1 THR A 44 2.174 26.714 12.403 1.00 0.00 O ATOM 657 CG2 THR A 44 4.295 26.528 11.262 1.00 0.00 C ATOM 0 H THR A 44 0.875 26.648 10.327 1.00 0.00 H new ATOM 0 HA THR A 44 3.051 24.709 9.870 1.00 0.00 H new ATOM 0 HB THR A 44 3.346 25.011 12.427 1.00 0.00 H new ATOM 0 HG1 THR A 44 2.647 27.125 13.157 1.00 0.00 H new ATOM 0 HG21 THR A 44 4.795 26.983 12.117 1.00 0.00 H new ATOM 0 HG22 THR A 44 4.971 25.821 10.780 1.00 0.00 H new ATOM 0 HG23 THR A 44 4.015 27.304 10.550 1.00 0.00 H new ATOM 665 N PHE A 45 0.811 23.280 10.159 1.00 0.00 N ATOM 666 CA PHE A 45 -0.084 22.190 10.532 1.00 0.00 C ATOM 667 C PHE A 45 -1.360 22.728 11.172 1.00 0.00 C ATOM 668 O PHE A 45 -2.431 22.698 10.568 1.00 0.00 O ATOM 669 CB PHE A 45 0.619 21.232 11.497 1.00 0.00 C ATOM 670 CG PHE A 45 -0.149 19.967 11.752 1.00 0.00 C ATOM 671 CD1 PHE A 45 -0.389 19.068 10.725 1.00 0.00 C ATOM 672 CD2 PHE A 45 -0.630 19.677 13.018 1.00 0.00 C ATOM 673 CE1 PHE A 45 -1.097 17.904 10.957 1.00 0.00 C ATOM 674 CE2 PHE A 45 -1.338 18.514 13.256 1.00 0.00 C ATOM 675 CZ PHE A 45 -1.571 17.625 12.225 1.00 0.00 C ATOM 0 H PHE A 45 0.932 23.401 9.153 1.00 0.00 H new ATOM 0 HA PHE A 45 -0.354 21.649 9.625 1.00 0.00 H new ATOM 0 HB2 PHE A 45 1.599 20.977 11.094 1.00 0.00 H new ATOM 0 HB3 PHE A 45 0.787 21.743 12.445 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -0.019 19.279 9.733 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -0.450 20.368 13.829 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -1.280 17.213 10.148 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -1.709 18.301 14.248 1.00 0.00 H new ATOM 0 HZ PHE A 45 -2.122 16.715 12.409 1.00 0.00 H new ATOM 685 N GLY A 46 -1.237 23.220 12.401 1.00 0.00 N ATOM 686 CA GLY A 46 -2.387 23.757 13.104 1.00 0.00 C ATOM 687 C GLY A 46 -3.289 24.574 12.200 1.00 0.00 C ATOM 688 O GLY A 46 -4.502 24.620 12.403 1.00 0.00 O ATOM 0 H GLY A 46 -0.361 23.256 12.922 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -2.959 22.937 13.538 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -2.045 24.380 13.931 1.00 0.00 H new ATOM 692 N GLU A 47 -2.696 25.219 11.201 1.00 0.00 N ATOM 693 CA GLU A 47 -3.456 26.040 10.265 1.00 0.00 C ATOM 694 C GLU A 47 -4.052 25.184 9.151 1.00 0.00 C ATOM 695 O GLU A 47 -5.272 25.096 9.006 1.00 0.00 O ATOM 696 CB GLU A 47 -2.562 27.127 9.664 1.00 0.00 C ATOM 697 CG GLU A 47 -2.834 28.514 10.220 1.00 0.00 C ATOM 698 CD GLU A 47 -3.696 29.354 9.297 1.00 0.00 C ATOM 699 OE1 GLU A 47 -3.248 29.640 8.167 1.00 0.00 O ATOM 700 OE2 GLU A 47 -4.816 29.726 9.705 1.00 0.00 O ATOM 0 H GLU A 47 -1.693 25.189 11.019 1.00 0.00 H new ATOM 0 HA GLU A 47 -4.271 26.512 10.814 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -1.519 26.870 9.847 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -2.702 27.144 8.583 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -3.327 28.423 11.188 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -1.887 29.025 10.391 1.00 0.00 H new ATOM 707 N VAL A 48 -3.183 24.554 8.367 1.00 0.00 N ATOM 708 CA VAL A 48 -3.623 23.705 7.266 1.00 0.00 C ATOM 709 C VAL A 48 -4.768 22.795 7.698 1.00 0.00 C ATOM 710 O VAL A 48 -5.615 22.419 6.888 1.00 0.00 O ATOM 711 CB VAL A 48 -2.468 22.839 6.729 1.00 0.00 C ATOM 712 CG1 VAL A 48 -3.006 21.693 5.887 1.00 0.00 C ATOM 713 CG2 VAL A 48 -1.494 23.689 5.928 1.00 0.00 C ATOM 0 H VAL A 48 -2.170 24.615 8.474 1.00 0.00 H new ATOM 0 HA VAL A 48 -3.969 24.368 6.473 1.00 0.00 H new ATOM 0 HB VAL A 48 -1.931 22.413 7.577 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -2.175 21.092 5.516 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -3.661 21.070 6.496 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -3.568 22.094 5.044 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -0.684 23.061 5.556 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -2.016 24.145 5.086 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -1.083 24.471 6.567 1.00 0.00 H new ATOM 723 N SER A 49 -4.786 22.444 8.980 1.00 0.00 N ATOM 724 CA SER A 49 -5.825 21.575 9.520 1.00 0.00 C ATOM 725 C SER A 49 -7.093 22.367 9.822 1.00 0.00 C ATOM 726 O SER A 49 -8.180 22.024 9.356 1.00 0.00 O ATOM 727 CB SER A 49 -5.329 20.880 10.790 1.00 0.00 C ATOM 728 OG SER A 49 -4.089 20.232 10.566 1.00 0.00 O ATOM 0 H SER A 49 -4.093 22.748 9.664 1.00 0.00 H new ATOM 0 HA SER A 49 -6.059 20.820 8.769 1.00 0.00 H new ATOM 0 HB2 SER A 49 -5.221 21.612 11.590 1.00 0.00 H new ATOM 0 HB3 SER A 49 -6.069 20.152 11.122 1.00 0.00 H new ATOM 0 HG SER A 49 -4.219 19.479 9.952 1.00 0.00 H new ATOM 734 N LYS A 50 -6.947 23.430 10.606 1.00 0.00 N ATOM 735 CA LYS A 50 -8.078 24.274 10.971 1.00 0.00 C ATOM 736 C LYS A 50 -8.970 24.540 9.763 1.00 0.00 C ATOM 737 O LYS A 50 -10.184 24.695 9.899 1.00 0.00 O ATOM 738 CB LYS A 50 -7.585 25.599 11.556 1.00 0.00 C ATOM 739 CG LYS A 50 -8.092 25.869 12.962 1.00 0.00 C ATOM 740 CD LYS A 50 -9.443 26.564 12.943 1.00 0.00 C ATOM 741 CE LYS A 50 -10.045 26.650 14.338 1.00 0.00 C ATOM 742 NZ LYS A 50 -10.787 27.925 14.544 1.00 0.00 N ATOM 0 H LYS A 50 -6.055 23.727 11.001 1.00 0.00 H new ATOM 0 HA LYS A 50 -8.664 23.747 11.724 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -6.495 25.599 11.566 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -7.898 26.414 10.903 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -8.173 24.929 13.507 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -7.371 26.487 13.497 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -9.332 27.567 12.531 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -10.123 26.023 12.285 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -10.719 25.808 14.495 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -9.252 26.567 15.081 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -11.182 27.945 15.506 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -10.138 28.728 14.419 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -11.560 27.993 13.851 1.00 0.00 H new ATOM 756 N ILE A 51 -8.362 24.590 8.583 1.00 0.00 N ATOM 757 CA ILE A 51 -9.102 24.835 7.352 1.00 0.00 C ATOM 758 C ILE A 51 -9.779 23.562 6.855 1.00 0.00 C ATOM 759 O ILE A 51 -10.985 23.543 6.609 1.00 0.00 O ATOM 760 CB ILE A 51 -8.184 25.381 6.242 1.00 0.00 C ATOM 761 CG1 ILE A 51 -7.430 26.617 6.737 1.00 0.00 C ATOM 762 CG2 ILE A 51 -8.996 25.712 4.998 1.00 0.00 C ATOM 763 CD1 ILE A 51 -5.996 26.682 6.258 1.00 0.00 C ATOM 0 H ILE A 51 -7.358 24.464 8.454 1.00 0.00 H new ATOM 0 HA ILE A 51 -9.862 25.581 7.584 1.00 0.00 H new ATOM 0 HB ILE A 51 -7.455 24.613 5.982 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -7.957 27.511 6.404 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -7.441 26.627 7.827 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -8.333 26.097 4.223 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -9.492 24.811 4.637 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -9.745 26.466 5.242 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -5.523 27.584 6.647 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -5.454 25.806 6.613 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -5.977 26.704 5.168 1.00 0.00 H new ATOM 775 N VAL A 52 -8.995 22.499 6.711 1.00 0.00 N ATOM 776 CA VAL A 52 -9.518 21.220 6.246 1.00 0.00 C ATOM 777 C VAL A 52 -10.746 20.804 7.049 1.00 0.00 C ATOM 778 O VAL A 52 -11.774 20.434 6.483 1.00 0.00 O ATOM 779 CB VAL A 52 -8.455 20.109 6.343 1.00 0.00 C ATOM 780 CG1 VAL A 52 -9.103 18.738 6.223 1.00 0.00 C ATOM 781 CG2 VAL A 52 -7.388 20.299 5.276 1.00 0.00 C ATOM 0 H VAL A 52 -7.995 22.498 6.910 1.00 0.00 H new ATOM 0 HA VAL A 52 -9.798 21.354 5.201 1.00 0.00 H new ATOM 0 HB VAL A 52 -7.975 20.173 7.320 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -8.337 17.966 6.294 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -9.827 18.606 7.027 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -9.611 18.658 5.262 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -6.645 19.506 5.359 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -7.850 20.262 4.289 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -6.903 21.266 5.414 1.00 0.00 H new ATOM 791 N ALA A 53 -10.631 20.869 8.371 1.00 0.00 N ATOM 792 CA ALA A 53 -11.733 20.502 9.253 1.00 0.00 C ATOM 793 C ALA A 53 -13.045 21.114 8.775 1.00 0.00 C ATOM 794 O ALA A 53 -14.085 20.455 8.776 1.00 0.00 O ATOM 795 CB ALA A 53 -11.434 20.937 10.680 1.00 0.00 C ATOM 0 H ALA A 53 -9.786 21.172 8.855 1.00 0.00 H new ATOM 0 HA ALA A 53 -11.839 19.417 9.230 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -12.265 20.657 11.327 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -10.523 20.448 11.026 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -11.299 22.018 10.710 1.00 0.00 H new ATOM 801 N SER A 54 -12.990 22.378 8.367 1.00 0.00 N ATOM 802 CA SER A 54 -14.176 23.080 7.891 1.00 0.00 C ATOM 803 C SER A 54 -14.616 22.542 6.532 1.00 0.00 C ATOM 804 O SER A 54 -15.809 22.468 6.239 1.00 0.00 O ATOM 805 CB SER A 54 -13.901 24.581 7.793 1.00 0.00 C ATOM 806 OG SER A 54 -14.284 25.249 8.983 1.00 0.00 O ATOM 0 H SER A 54 -12.137 22.937 8.357 1.00 0.00 H new ATOM 0 HA SER A 54 -14.980 22.912 8.607 1.00 0.00 H new ATOM 0 HB2 SER A 54 -12.841 24.748 7.604 1.00 0.00 H new ATOM 0 HB3 SER A 54 -14.445 24.999 6.946 1.00 0.00 H new ATOM 0 HG SER A 54 -14.096 26.207 8.895 1.00 0.00 H new ATOM 812 N MET A 55 -13.644 22.170 5.707 1.00 0.00 N ATOM 813 CA MET A 55 -13.930 21.638 4.379 1.00 0.00 C ATOM 814 C MET A 55 -14.708 20.330 4.474 1.00 0.00 C ATOM 815 O MET A 55 -15.780 20.191 3.885 1.00 0.00 O ATOM 816 CB MET A 55 -12.630 21.417 3.604 1.00 0.00 C ATOM 817 CG MET A 55 -11.745 22.651 3.536 1.00 0.00 C ATOM 818 SD MET A 55 -10.146 22.318 2.772 1.00 0.00 S ATOM 819 CE MET A 55 -10.556 22.493 1.038 1.00 0.00 C ATOM 0 H MET A 55 -12.651 22.227 5.934 1.00 0.00 H new ATOM 0 HA MET A 55 -14.542 22.366 3.847 1.00 0.00 H new ATOM 0 HB2 MET A 55 -12.072 20.605 4.071 1.00 0.00 H new ATOM 0 HB3 MET A 55 -12.871 21.097 2.590 1.00 0.00 H new ATOM 0 HG2 MET A 55 -12.258 23.430 2.972 1.00 0.00 H new ATOM 0 HG3 MET A 55 -11.589 23.037 4.543 1.00 0.00 H new ATOM 0 HE1 MET A 55 -9.641 22.618 0.459 1.00 0.00 H new ATOM 0 HE2 MET A 55 -11.083 21.602 0.697 1.00 0.00 H new ATOM 0 HE3 MET A 55 -11.194 23.366 0.901 1.00 0.00 H new ATOM 829 N TRP A 56 -14.162 19.375 5.218 1.00 0.00 N ATOM 830 CA TRP A 56 -14.807 18.077 5.389 1.00 0.00 C ATOM 831 C TRP A 56 -16.219 18.239 5.939 1.00 0.00 C ATOM 832 O TRP A 56 -17.171 17.665 5.410 1.00 0.00 O ATOM 833 CB TRP A 56 -13.979 17.193 6.324 1.00 0.00 C ATOM 834 CG TRP A 56 -14.718 15.981 6.803 1.00 0.00 C ATOM 835 CD1 TRP A 56 -15.502 15.885 7.917 1.00 0.00 C ATOM 836 CD2 TRP A 56 -14.741 14.690 6.183 1.00 0.00 C ATOM 837 NE1 TRP A 56 -16.010 14.613 8.027 1.00 0.00 N ATOM 838 CE2 TRP A 56 -15.559 13.861 6.975 1.00 0.00 C ATOM 839 CE3 TRP A 56 -14.151 14.155 5.034 1.00 0.00 C ATOM 840 CZ2 TRP A 56 -15.799 12.528 6.655 1.00 0.00 C ATOM 841 CZ3 TRP A 56 -14.391 12.831 4.718 1.00 0.00 C ATOM 842 CH2 TRP A 56 -15.209 12.030 5.525 1.00 0.00 C ATOM 0 H TRP A 56 -13.275 19.474 5.712 1.00 0.00 H new ATOM 0 HA TRP A 56 -14.872 17.599 4.411 1.00 0.00 H new ATOM 0 HB2 TRP A 56 -13.074 16.877 5.806 1.00 0.00 H new ATOM 0 HB3 TRP A 56 -13.664 17.782 7.185 1.00 0.00 H new ATOM 0 HD1 TRP A 56 -15.695 16.691 8.610 1.00 0.00 H new ATOM 0 HE1 TRP A 56 -16.624 14.282 8.772 1.00 0.00 H new ATOM 0 HE3 TRP A 56 -13.519 14.765 4.405 1.00 0.00 H new ATOM 0 HZ2 TRP A 56 -16.429 11.908 7.276 1.00 0.00 H new ATOM 0 HZ3 TRP A 56 -13.940 12.407 3.833 1.00 0.00 H new ATOM 0 HH2 TRP A 56 -15.377 10.999 5.250 1.00 0.00 H new ATOM 853 N ASP A 57 -16.348 19.023 7.004 1.00 0.00 N ATOM 854 CA ASP A 57 -17.646 19.261 7.625 1.00 0.00 C ATOM 855 C ASP A 57 -18.638 19.826 6.613 1.00 0.00 C ATOM 856 O ASP A 57 -19.844 19.840 6.853 1.00 0.00 O ATOM 857 CB ASP A 57 -17.501 20.222 8.806 1.00 0.00 C ATOM 858 CG ASP A 57 -17.559 19.509 10.143 1.00 0.00 C ATOM 859 OD1 ASP A 57 -16.738 18.594 10.363 1.00 0.00 O ATOM 860 OD2 ASP A 57 -18.425 19.865 10.969 1.00 0.00 O ATOM 0 H ASP A 57 -15.570 19.504 7.455 1.00 0.00 H new ATOM 0 HA ASP A 57 -18.028 18.307 7.987 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -16.554 20.755 8.723 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -18.293 20.970 8.762 1.00 0.00 H new ATOM 865 N GLY A 58 -18.119 20.292 5.481 1.00 0.00 N ATOM 866 CA GLY A 58 -18.973 20.852 4.450 1.00 0.00 C ATOM 867 C GLY A 58 -19.025 19.987 3.206 1.00 0.00 C ATOM 868 O GLY A 58 -19.798 20.256 2.285 1.00 0.00 O ATOM 0 H GLY A 58 -17.123 20.292 5.260 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -19.981 20.975 4.845 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -18.612 21.845 4.183 1.00 0.00 H new ATOM 872 N LEU A 59 -18.201 18.945 3.177 1.00 0.00 N ATOM 873 CA LEU A 59 -18.155 18.038 2.036 1.00 0.00 C ATOM 874 C LEU A 59 -19.526 17.425 1.772 1.00 0.00 C ATOM 875 O LEU A 59 -20.344 17.293 2.681 1.00 0.00 O ATOM 876 CB LEU A 59 -17.128 16.931 2.281 1.00 0.00 C ATOM 877 CG LEU A 59 -15.988 16.836 1.266 1.00 0.00 C ATOM 878 CD1 LEU A 59 -14.820 17.711 1.691 1.00 0.00 C ATOM 879 CD2 LEU A 59 -15.541 15.391 1.099 1.00 0.00 C ATOM 0 H LEU A 59 -17.556 18.708 3.931 1.00 0.00 H new ATOM 0 HA LEU A 59 -17.859 18.613 1.158 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -16.695 17.077 3.271 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -17.651 15.975 2.300 1.00 0.00 H new ATOM 0 HG LEU A 59 -16.353 17.196 0.304 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -14.019 17.630 0.956 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -15.148 18.748 1.758 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -14.455 17.383 2.664 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -14.729 15.343 0.373 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -15.194 15.004 2.057 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -16.379 14.789 0.747 1.00 0.00 H new ATOM 891 N GLY A 60 -19.770 17.049 0.520 1.00 0.00 N ATOM 892 CA GLY A 60 -21.043 16.452 0.159 1.00 0.00 C ATOM 893 C GLY A 60 -21.181 15.030 0.666 1.00 0.00 C ATOM 894 O GLY A 60 -20.202 14.287 0.722 1.00 0.00 O ATOM 0 H GLY A 60 -19.109 17.147 -0.251 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -21.853 17.059 0.563 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -21.150 16.460 -0.926 1.00 0.00 H new ATOM 898 N GLU A 61 -22.400 14.652 1.037 1.00 0.00 N ATOM 899 CA GLU A 61 -22.661 13.310 1.545 1.00 0.00 C ATOM 900 C GLU A 61 -22.006 12.256 0.657 1.00 0.00 C ATOM 901 O GLU A 61 -21.434 11.284 1.150 1.00 0.00 O ATOM 902 CB GLU A 61 -24.168 13.057 1.630 1.00 0.00 C ATOM 903 CG GLU A 61 -24.720 13.139 3.043 1.00 0.00 C ATOM 904 CD GLU A 61 -24.377 14.448 3.728 1.00 0.00 C ATOM 905 OE1 GLU A 61 -23.212 14.613 4.143 1.00 0.00 O ATOM 906 OE2 GLU A 61 -25.276 15.307 3.849 1.00 0.00 O ATOM 0 H GLU A 61 -23.222 15.255 0.996 1.00 0.00 H new ATOM 0 HA GLU A 61 -22.231 13.237 2.544 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -24.686 13.784 1.004 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -24.386 12.071 1.220 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -25.803 13.022 3.013 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -24.326 12.311 3.632 1.00 0.00 H new ATOM 913 N GLU A 62 -22.097 12.456 -0.654 1.00 0.00 N ATOM 914 CA GLU A 62 -21.514 11.521 -1.610 1.00 0.00 C ATOM 915 C GLU A 62 -19.994 11.488 -1.481 1.00 0.00 C ATOM 916 O GLU A 62 -19.361 10.470 -1.760 1.00 0.00 O ATOM 917 CB GLU A 62 -21.908 11.907 -3.038 1.00 0.00 C ATOM 918 CG GLU A 62 -21.935 10.731 -4.000 1.00 0.00 C ATOM 919 CD GLU A 62 -23.319 10.467 -4.560 1.00 0.00 C ATOM 920 OE1 GLU A 62 -24.294 10.528 -3.782 1.00 0.00 O ATOM 921 OE2 GLU A 62 -23.427 10.200 -5.775 1.00 0.00 O ATOM 0 H GLU A 62 -22.568 13.255 -1.078 1.00 0.00 H new ATOM 0 HA GLU A 62 -21.901 10.526 -1.390 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -22.893 12.374 -3.021 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -21.207 12.654 -3.410 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -21.245 10.923 -4.822 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -21.579 9.838 -3.486 1.00 0.00 H new ATOM 928 N GLN A 63 -19.417 12.608 -1.058 1.00 0.00 N ATOM 929 CA GLN A 63 -17.972 12.707 -0.894 1.00 0.00 C ATOM 930 C GLN A 63 -17.545 12.203 0.481 1.00 0.00 C ATOM 931 O GLN A 63 -16.434 11.701 0.652 1.00 0.00 O ATOM 932 CB GLN A 63 -17.514 14.154 -1.085 1.00 0.00 C ATOM 933 CG GLN A 63 -17.898 14.740 -2.434 1.00 0.00 C ATOM 934 CD GLN A 63 -17.108 15.989 -2.774 1.00 0.00 C ATOM 935 OE1 GLN A 63 -17.093 16.955 -2.011 1.00 0.00 O ATOM 936 NE2 GLN A 63 -16.446 15.975 -3.925 1.00 0.00 N ATOM 0 H GLN A 63 -19.928 13.459 -0.823 1.00 0.00 H new ATOM 0 HA GLN A 63 -17.501 12.081 -1.652 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -17.944 14.770 -0.295 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -16.431 14.201 -0.972 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -17.738 13.991 -3.210 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -18.962 14.977 -2.434 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -16.487 15.152 -4.527 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -15.897 16.787 -4.207 1.00 0.00 H new ATOM 945 N LYS A 64 -18.433 12.342 1.459 1.00 0.00 N ATOM 946 CA LYS A 64 -18.150 11.900 2.819 1.00 0.00 C ATOM 947 C LYS A 64 -18.190 10.379 2.917 1.00 0.00 C ATOM 948 O LYS A 64 -17.298 9.762 3.498 1.00 0.00 O ATOM 949 CB LYS A 64 -19.157 12.512 3.796 1.00 0.00 C ATOM 950 CG LYS A 64 -18.756 13.887 4.301 1.00 0.00 C ATOM 951 CD LYS A 64 -19.419 14.207 5.631 1.00 0.00 C ATOM 952 CE LYS A 64 -18.918 15.526 6.200 1.00 0.00 C ATOM 953 NZ LYS A 64 -19.654 15.912 7.436 1.00 0.00 N ATOM 0 H LYS A 64 -19.356 12.758 1.335 1.00 0.00 H new ATOM 0 HA LYS A 64 -17.147 12.236 3.082 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -20.128 12.583 3.306 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -19.277 11.842 4.648 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -17.673 13.933 4.413 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -19.033 14.641 3.564 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -20.500 14.254 5.498 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -19.220 13.404 6.341 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -17.854 15.445 6.421 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -19.029 16.310 5.451 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -19.656 16.948 7.530 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -20.634 15.568 7.378 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -19.187 15.490 8.264 1.00 0.00 H new ATOM 967 N GLN A 65 -19.230 9.781 2.345 1.00 0.00 N ATOM 968 CA GLN A 65 -19.385 8.331 2.367 1.00 0.00 C ATOM 969 C GLN A 65 -18.247 7.650 1.614 1.00 0.00 C ATOM 970 O GLN A 65 -17.575 6.767 2.149 1.00 0.00 O ATOM 971 CB GLN A 65 -20.728 7.931 1.756 1.00 0.00 C ATOM 972 CG GLN A 65 -20.810 8.168 0.257 1.00 0.00 C ATOM 973 CD GLN A 65 -22.202 7.937 -0.296 1.00 0.00 C ATOM 974 OE1 GLN A 65 -23.030 8.848 -0.325 1.00 0.00 O ATOM 975 NE2 GLN A 65 -22.468 6.714 -0.739 1.00 0.00 N ATOM 0 H GLN A 65 -19.978 10.278 1.861 1.00 0.00 H new ATOM 0 HA GLN A 65 -19.355 8.004 3.406 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -20.910 6.876 1.959 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -21.523 8.492 2.248 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -20.501 9.190 0.037 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -20.108 7.507 -0.250 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -21.752 5.989 -0.696 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -23.389 6.499 -1.122 1.00 0.00 H new ATOM 984 N VAL A 66 -18.036 8.066 0.369 1.00 0.00 N ATOM 985 CA VAL A 66 -16.978 7.496 -0.458 1.00 0.00 C ATOM 986 C VAL A 66 -15.698 7.299 0.346 1.00 0.00 C ATOM 987 O VAL A 66 -15.083 6.233 0.301 1.00 0.00 O ATOM 988 CB VAL A 66 -16.674 8.391 -1.674 1.00 0.00 C ATOM 989 CG1 VAL A 66 -16.473 9.834 -1.239 1.00 0.00 C ATOM 990 CG2 VAL A 66 -15.454 7.876 -2.422 1.00 0.00 C ATOM 0 H VAL A 66 -18.583 8.795 -0.089 1.00 0.00 H new ATOM 0 HA VAL A 66 -17.336 6.528 -0.808 1.00 0.00 H new ATOM 0 HB VAL A 66 -17.528 8.357 -2.351 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -16.259 10.451 -2.112 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -17.378 10.196 -0.751 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -15.637 9.891 -0.541 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -15.253 8.520 -3.278 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -14.591 7.878 -1.756 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -15.642 6.860 -2.769 1.00 0.00 H new ATOM 1000 N TYR A 67 -15.302 8.332 1.082 1.00 0.00 N ATOM 1001 CA TYR A 67 -14.094 8.273 1.895 1.00 0.00 C ATOM 1002 C TYR A 67 -14.179 7.142 2.916 1.00 0.00 C ATOM 1003 O TYR A 67 -13.191 6.461 3.191 1.00 0.00 O ATOM 1004 CB TYR A 67 -13.870 9.606 2.611 1.00 0.00 C ATOM 1005 CG TYR A 67 -13.166 10.639 1.760 1.00 0.00 C ATOM 1006 CD1 TYR A 67 -11.933 10.366 1.179 1.00 0.00 C ATOM 1007 CD2 TYR A 67 -13.732 11.888 1.539 1.00 0.00 C ATOM 1008 CE1 TYR A 67 -11.286 11.307 0.402 1.00 0.00 C ATOM 1009 CE2 TYR A 67 -13.093 12.834 0.762 1.00 0.00 C ATOM 1010 CZ TYR A 67 -11.870 12.539 0.196 1.00 0.00 C ATOM 1011 OH TYR A 67 -11.229 13.480 -0.578 1.00 0.00 O ATOM 0 H TYR A 67 -15.801 9.220 1.132 1.00 0.00 H new ATOM 0 HA TYR A 67 -13.250 8.078 1.233 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -14.833 10.005 2.929 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -13.284 9.430 3.513 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -11.473 9.402 1.338 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -14.688 12.123 1.982 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -10.328 11.079 -0.042 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -13.548 13.800 0.598 1.00 0.00 H new ATOM 0 HH TYR A 67 -11.861 14.188 -0.823 1.00 0.00 H new ATOM 1021 N LYS A 68 -15.369 6.948 3.475 1.00 0.00 N ATOM 1022 CA LYS A 68 -15.587 5.899 4.465 1.00 0.00 C ATOM 1023 C LYS A 68 -15.463 4.518 3.831 1.00 0.00 C ATOM 1024 O LYS A 68 -14.917 3.593 4.433 1.00 0.00 O ATOM 1025 CB LYS A 68 -16.967 6.055 5.107 1.00 0.00 C ATOM 1026 CG LYS A 68 -17.190 7.415 5.747 1.00 0.00 C ATOM 1027 CD LYS A 68 -17.371 7.300 7.251 1.00 0.00 C ATOM 1028 CE LYS A 68 -17.569 8.664 7.895 1.00 0.00 C ATOM 1029 NZ LYS A 68 -16.676 8.858 9.070 1.00 0.00 N ATOM 0 H LYS A 68 -16.197 7.503 3.260 1.00 0.00 H new ATOM 0 HA LYS A 68 -14.821 5.996 5.235 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -17.732 5.890 4.348 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -17.096 5.281 5.864 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -16.341 8.064 5.530 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -18.070 7.885 5.308 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -18.231 6.666 7.468 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -16.499 6.814 7.687 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -17.375 9.444 7.159 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -18.608 8.771 8.207 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -17.150 9.463 9.770 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -16.461 7.935 9.499 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -15.792 9.311 8.763 1.00 0.00 H new ATOM 1043 N LYS A 69 -15.971 4.384 2.611 1.00 0.00 N ATOM 1044 CA LYS A 69 -15.915 3.116 1.892 1.00 0.00 C ATOM 1045 C LYS A 69 -14.473 2.733 1.577 1.00 0.00 C ATOM 1046 O LYS A 69 -14.087 1.571 1.704 1.00 0.00 O ATOM 1047 CB LYS A 69 -16.726 3.204 0.597 1.00 0.00 C ATOM 1048 CG LYS A 69 -18.007 4.008 0.735 1.00 0.00 C ATOM 1049 CD LYS A 69 -18.766 3.636 1.997 1.00 0.00 C ATOM 1050 CE LYS A 69 -19.441 2.279 1.862 1.00 0.00 C ATOM 1051 NZ LYS A 69 -19.165 1.403 3.034 1.00 0.00 N ATOM 0 H LYS A 69 -16.427 5.139 2.098 1.00 0.00 H new ATOM 0 HA LYS A 69 -16.346 2.345 2.531 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -16.107 3.653 -0.180 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -16.974 2.196 0.264 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -17.770 5.072 0.752 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -18.640 3.837 -0.135 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -18.080 3.620 2.844 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -19.517 4.397 2.209 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -20.517 2.418 1.758 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -19.093 1.789 0.953 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -19.989 0.794 3.214 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -18.333 0.811 2.836 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -18.980 1.991 3.871 1.00 0.00 H new ATOM 1065 N LYS A 70 -13.680 3.717 1.167 1.00 0.00 N ATOM 1066 CA LYS A 70 -12.279 3.484 0.836 1.00 0.00 C ATOM 1067 C LYS A 70 -11.483 3.103 2.080 1.00 0.00 C ATOM 1068 O LYS A 70 -10.549 2.303 2.012 1.00 0.00 O ATOM 1069 CB LYS A 70 -11.672 4.732 0.191 1.00 0.00 C ATOM 1070 CG LYS A 70 -12.337 5.125 -1.117 1.00 0.00 C ATOM 1071 CD LYS A 70 -11.364 5.830 -2.047 1.00 0.00 C ATOM 1072 CE LYS A 70 -12.087 6.763 -3.007 1.00 0.00 C ATOM 1073 NZ LYS A 70 -11.375 6.877 -4.310 1.00 0.00 N ATOM 0 H LYS A 70 -13.984 4.684 1.056 1.00 0.00 H new ATOM 0 HA LYS A 70 -12.231 2.657 0.128 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -11.745 5.565 0.891 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -10.611 4.559 0.012 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -12.731 4.235 -1.608 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -13.185 5.778 -0.913 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -10.644 6.398 -1.459 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -10.799 5.090 -2.614 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -13.099 6.396 -3.177 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -12.178 7.751 -2.555 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -11.899 7.521 -4.937 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -10.418 7.251 -4.151 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -11.311 5.939 -4.754 1.00 0.00 H new ATOM 1087 N THR A 71 -11.858 3.680 3.217 1.00 0.00 N ATOM 1088 CA THR A 71 -11.179 3.401 4.476 1.00 0.00 C ATOM 1089 C THR A 71 -11.271 1.922 4.834 1.00 0.00 C ATOM 1090 O THR A 71 -10.304 1.329 5.311 1.00 0.00 O ATOM 1091 CB THR A 71 -11.769 4.234 5.630 1.00 0.00 C ATOM 1092 OG1 THR A 71 -11.843 5.613 5.250 1.00 0.00 O ATOM 1093 CG2 THR A 71 -10.923 4.094 6.886 1.00 0.00 C ATOM 0 H THR A 71 -12.629 4.344 3.292 1.00 0.00 H new ATOM 0 HA THR A 71 -10.133 3.675 4.338 1.00 0.00 H new ATOM 0 HB THR A 71 -12.771 3.861 5.843 1.00 0.00 H new ATOM 0 HG1 THR A 71 -12.605 5.746 4.648 1.00 0.00 H new ATOM 0 HG21 THR A 71 -11.359 4.691 7.687 1.00 0.00 H new ATOM 0 HG22 THR A 71 -10.892 3.047 7.189 1.00 0.00 H new ATOM 0 HG23 THR A 71 -9.910 4.443 6.683 1.00 0.00 H new ATOM 1101 N GLU A 72 -12.439 1.332 4.601 1.00 0.00 N ATOM 1102 CA GLU A 72 -12.656 -0.078 4.899 1.00 0.00 C ATOM 1103 C GLU A 72 -12.017 -0.964 3.833 1.00 0.00 C ATOM 1104 O GLU A 72 -11.565 -2.072 4.121 1.00 0.00 O ATOM 1105 CB GLU A 72 -14.153 -0.378 4.997 1.00 0.00 C ATOM 1106 CG GLU A 72 -14.904 -0.158 3.695 1.00 0.00 C ATOM 1107 CD GLU A 72 -16.065 -1.119 3.521 1.00 0.00 C ATOM 1108 OE1 GLU A 72 -17.181 -0.789 3.973 1.00 0.00 O ATOM 1109 OE2 GLU A 72 -15.856 -2.200 2.933 1.00 0.00 O ATOM 0 H GLU A 72 -13.250 1.809 4.207 1.00 0.00 H new ATOM 0 HA GLU A 72 -12.186 -0.296 5.858 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -14.288 -1.412 5.314 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -14.591 0.252 5.771 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -15.277 0.866 3.664 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -14.214 -0.272 2.859 1.00 0.00 H new ATOM 1116 N ALA A 73 -11.986 -0.468 2.601 1.00 0.00 N ATOM 1117 CA ALA A 73 -11.402 -1.213 1.492 1.00 0.00 C ATOM 1118 C ALA A 73 -9.882 -1.095 1.492 1.00 0.00 C ATOM 1119 O ALA A 73 -9.183 -1.956 0.957 1.00 0.00 O ATOM 1120 CB ALA A 73 -11.972 -0.722 0.169 1.00 0.00 C ATOM 0 H ALA A 73 -12.358 0.447 2.345 1.00 0.00 H new ATOM 0 HA ALA A 73 -11.658 -2.265 1.618 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -11.527 -1.287 -0.651 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -13.053 -0.864 0.163 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -11.745 0.337 0.045 1.00 0.00 H new ATOM 1126 N ALA A 74 -9.375 -0.024 2.094 1.00 0.00 N ATOM 1127 CA ALA A 74 -7.938 0.205 2.163 1.00 0.00 C ATOM 1128 C ALA A 74 -7.348 -0.393 3.436 1.00 0.00 C ATOM 1129 O ALA A 74 -6.204 -0.849 3.448 1.00 0.00 O ATOM 1130 CB ALA A 74 -7.636 1.695 2.089 1.00 0.00 C ATOM 0 H ALA A 74 -9.939 0.699 2.541 1.00 0.00 H new ATOM 0 HA ALA A 74 -7.475 -0.291 1.310 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -6.558 1.851 2.142 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -8.015 2.097 1.149 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -8.118 2.206 2.923 1.00 0.00 H new ATOM 1136 N LYS A 75 -8.134 -0.387 4.507 1.00 0.00 N ATOM 1137 CA LYS A 75 -7.691 -0.930 5.785 1.00 0.00 C ATOM 1138 C LYS A 75 -7.593 -2.451 5.727 1.00 0.00 C ATOM 1139 O LYS A 75 -6.537 -3.026 5.991 1.00 0.00 O ATOM 1140 CB LYS A 75 -8.652 -0.513 6.901 1.00 0.00 C ATOM 1141 CG LYS A 75 -8.646 -1.454 8.093 1.00 0.00 C ATOM 1142 CD LYS A 75 -8.585 -0.691 9.405 1.00 0.00 C ATOM 1143 CE LYS A 75 -9.792 0.218 9.578 1.00 0.00 C ATOM 1144 NZ LYS A 75 -9.396 1.648 9.704 1.00 0.00 N ATOM 0 H LYS A 75 -9.082 -0.011 4.515 1.00 0.00 H new ATOM 0 HA LYS A 75 -6.700 -0.528 5.997 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -8.390 0.489 7.239 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -9.663 -0.459 6.497 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -9.542 -2.074 8.073 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -7.791 -2.127 8.022 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -8.537 -1.396 10.235 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -7.672 -0.096 9.439 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -10.461 0.100 8.725 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -10.350 -0.084 10.464 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -10.247 2.235 9.820 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -8.778 1.766 10.533 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -8.886 1.944 8.847 1.00 0.00 H new ATOM 1158 N LYS A 76 -8.700 -3.097 5.376 1.00 0.00 N ATOM 1159 CA LYS A 76 -8.739 -4.552 5.280 1.00 0.00 C ATOM 1160 C LYS A 76 -7.612 -5.068 4.391 1.00 0.00 C ATOM 1161 O LYS A 76 -6.894 -5.996 4.762 1.00 0.00 O ATOM 1162 CB LYS A 76 -10.090 -5.010 4.726 1.00 0.00 C ATOM 1163 CG LYS A 76 -10.696 -6.175 5.490 1.00 0.00 C ATOM 1164 CD LYS A 76 -11.564 -7.040 4.591 1.00 0.00 C ATOM 1165 CE LYS A 76 -13.008 -7.064 5.066 1.00 0.00 C ATOM 1166 NZ LYS A 76 -13.149 -7.755 6.377 1.00 0.00 N ATOM 0 H LYS A 76 -9.582 -2.636 5.153 1.00 0.00 H new ATOM 0 HA LYS A 76 -8.605 -4.962 6.281 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -10.786 -4.171 4.747 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -9.967 -5.296 3.681 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -9.900 -6.782 5.922 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -11.294 -5.796 6.319 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -11.522 -6.662 3.570 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -11.170 -8.056 4.571 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -13.379 -6.043 5.152 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -13.627 -7.566 4.322 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -14.156 -7.931 6.570 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -12.638 -8.661 6.349 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -12.752 -7.157 7.129 1.00 0.00 H new ATOM 1180 N GLU A 77 -7.463 -4.461 3.218 1.00 0.00 N ATOM 1181 CA GLU A 77 -6.422 -4.860 2.278 1.00 0.00 C ATOM 1182 C GLU A 77 -5.035 -4.623 2.869 1.00 0.00 C ATOM 1183 O GLU A 77 -4.172 -5.499 2.824 1.00 0.00 O ATOM 1184 CB GLU A 77 -6.567 -4.090 0.964 1.00 0.00 C ATOM 1185 CG GLU A 77 -5.718 -2.832 0.900 1.00 0.00 C ATOM 1186 CD GLU A 77 -5.844 -2.110 -0.428 1.00 0.00 C ATOM 1187 OE1 GLU A 77 -6.848 -2.338 -1.135 1.00 0.00 O ATOM 1188 OE2 GLU A 77 -4.939 -1.317 -0.760 1.00 0.00 O ATOM 0 H GLU A 77 -8.050 -3.691 2.896 1.00 0.00 H new ATOM 0 HA GLU A 77 -6.537 -5.926 2.080 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -6.294 -4.745 0.137 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -7.614 -3.820 0.825 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -6.012 -2.158 1.705 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -4.674 -3.094 1.069 1.00 0.00 H new ATOM 1195 N TYR A 78 -4.830 -3.433 3.422 1.00 0.00 N ATOM 1196 CA TYR A 78 -3.548 -3.078 4.019 1.00 0.00 C ATOM 1197 C TYR A 78 -2.957 -4.260 4.782 1.00 0.00 C ATOM 1198 O TYR A 78 -1.743 -4.468 4.784 1.00 0.00 O ATOM 1199 CB TYR A 78 -3.712 -1.881 4.957 1.00 0.00 C ATOM 1200 CG TYR A 78 -2.506 -1.628 5.832 1.00 0.00 C ATOM 1201 CD1 TYR A 78 -1.266 -1.343 5.274 1.00 0.00 C ATOM 1202 CD2 TYR A 78 -2.606 -1.671 7.217 1.00 0.00 C ATOM 1203 CE1 TYR A 78 -0.160 -1.112 6.069 1.00 0.00 C ATOM 1204 CE2 TYR A 78 -1.506 -1.440 8.021 1.00 0.00 C ATOM 1205 CZ TYR A 78 -0.285 -1.161 7.442 1.00 0.00 C ATOM 1206 OH TYR A 78 0.813 -0.929 8.238 1.00 0.00 O ATOM 0 H TYR A 78 -5.535 -2.698 3.469 1.00 0.00 H new ATOM 0 HA TYR A 78 -2.863 -2.809 3.215 1.00 0.00 H new ATOM 0 HB2 TYR A 78 -3.913 -0.989 4.363 1.00 0.00 H new ATOM 0 HB3 TYR A 78 -4.583 -2.044 5.592 1.00 0.00 H new ATOM 0 HD1 TYR A 78 -1.165 -1.301 4.200 1.00 0.00 H new ATOM 0 HD2 TYR A 78 -3.560 -1.889 7.673 1.00 0.00 H new ATOM 0 HE1 TYR A 78 0.797 -0.894 5.618 1.00 0.00 H new ATOM 0 HE2 TYR A 78 -1.601 -1.478 9.096 1.00 0.00 H new ATOM 0 HH TYR A 78 0.555 -1.000 9.181 1.00 0.00 H new ATOM 1216 N LEU A 79 -3.824 -5.031 5.429 1.00 0.00 N ATOM 1217 CA LEU A 79 -3.390 -6.193 6.197 1.00 0.00 C ATOM 1218 C LEU A 79 -2.924 -7.313 5.272 1.00 0.00 C ATOM 1219 O LEU A 79 -1.880 -7.925 5.497 1.00 0.00 O ATOM 1220 CB LEU A 79 -4.528 -6.693 7.089 1.00 0.00 C ATOM 1221 CG LEU A 79 -5.205 -5.639 7.966 1.00 0.00 C ATOM 1222 CD1 LEU A 79 -6.567 -6.130 8.433 1.00 0.00 C ATOM 1223 CD2 LEU A 79 -4.325 -5.290 9.157 1.00 0.00 C ATOM 0 H LEU A 79 -4.832 -4.873 5.437 1.00 0.00 H new ATOM 0 HA LEU A 79 -2.551 -5.891 6.824 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -5.287 -7.150 6.454 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -4.138 -7.479 7.736 1.00 0.00 H new ATOM 0 HG LEU A 79 -5.350 -4.737 7.371 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -7.035 -5.368 9.056 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -7.199 -6.329 7.567 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -6.445 -7.046 9.011 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -4.823 -4.539 9.770 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -4.148 -6.185 9.753 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -3.373 -4.896 8.803 1.00 0.00 H new