USER MOD reduce.3.24.130724 H: found=0, std=0, add=683, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 684 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 48 ASN : amide:sc= -1.14 K(o=-6.1,f=-1.6) USER MOD Set 1.2: A 79 GLN : amide:sc= -4.94! K(o=-6.1!,f=-1.6) USER MOD Single : A 30 SER OG : rot -7:sc= 0.967 USER MOD Single : A 32 SER OG : rot -64:sc= 1.18 USER MOD Single : A 33 ASN : amide:sc= -6.93! K(o=-6.9!,f=-1.4) USER MOD Single : A 50 GLN : amide:sc= -0.956 K(o=-0.96,f=-2.8!) USER MOD Single : A 60 LYS NZ :NH3+ 168:sc= -0.0203 (180deg=-0.228) USER MOD Single : A 66 SER OG : rot -153:sc= 0.484 USER MOD Single : A 71 SER OG : rot -67:sc= 1.26 USER MOD Single : A 76 SER OG : rot 75:sc= 0.601 USER MOD Single : A 89 MET CE :methyl -173:sc= -6.43! (180deg=-6.7!) USER MOD Single : A 91 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0781) USER MOD Single : A 95 THR OG1 : rot -77:sc= 0.0538 USER MOD Single : A 97 THR OG1 : rot 180:sc= 0 USER MOD Single : A 102 LYS NZ :NH3+ 160:sc= -0.0574 (180deg=-0.446) USER MOD Single : A 106 ASN : amide:sc= 0 K(o=0,f=-0.78) USER MOD Single : A 107 TYR OH : rot 47:sc= -0.448 USER MOD Single : A 110 THR OG1 : rot 180:sc= 0 USER MOD Single : A 111 HIS : no HE2:sc= -1.96 K(o=-2,f=-2.8) USER MOD ----------------------------------------------------------------- ATOM 347 N ALA A 23 -11.821 -0.177 6.155 1.00 0.00 N ATOM 348 CA ALA A 23 -11.702 -1.455 5.469 1.00 0.00 C ATOM 349 C ALA A 23 -10.239 -1.788 5.205 1.00 0.00 C ATOM 350 O ALA A 23 -9.923 -2.808 4.593 1.00 0.00 O ATOM 351 CB ALA A 23 -12.485 -1.439 4.167 1.00 0.00 C ATOM 0 HA ALA A 23 -12.121 -2.228 6.114 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -12.383 -2.403 3.669 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -13.537 -1.249 4.378 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -12.097 -0.653 3.519 1.00 0.00 H new ATOM 357 N PHE A 24 -9.349 -0.918 5.675 1.00 0.00 N ATOM 358 CA PHE A 24 -7.923 -1.117 5.515 1.00 0.00 C ATOM 359 C PHE A 24 -7.504 -2.387 6.234 1.00 0.00 C ATOM 360 O PHE A 24 -6.678 -3.154 5.746 1.00 0.00 O ATOM 361 CB PHE A 24 -7.178 0.090 6.083 1.00 0.00 C ATOM 362 CG PHE A 24 -5.724 0.151 5.717 1.00 0.00 C ATOM 363 CD1 PHE A 24 -5.187 -0.692 4.754 1.00 0.00 C ATOM 364 CD2 PHE A 24 -4.893 1.060 6.341 1.00 0.00 C ATOM 365 CE1 PHE A 24 -3.854 -0.626 4.426 1.00 0.00 C ATOM 366 CE2 PHE A 24 -3.557 1.131 6.016 1.00 0.00 C ATOM 367 CZ PHE A 24 -3.034 0.287 5.057 1.00 0.00 C ATOM 0 H PHE A 24 -9.599 -0.064 6.173 1.00 0.00 H new ATOM 0 HA PHE A 24 -7.679 -1.218 4.458 1.00 0.00 H new ATOM 0 HB2 PHE A 24 -7.666 1.000 5.734 1.00 0.00 H new ATOM 0 HB3 PHE A 24 -7.266 0.078 7.169 1.00 0.00 H new ATOM 0 HD1 PHE A 24 -5.824 -1.408 4.257 1.00 0.00 H new ATOM 0 HD2 PHE A 24 -5.296 1.723 7.093 1.00 0.00 H new ATOM 0 HE1 PHE A 24 -3.449 -1.288 3.675 1.00 0.00 H new ATOM 0 HE2 PHE A 24 -2.918 1.847 6.511 1.00 0.00 H new ATOM 0 HZ PHE A 24 -1.986 0.341 4.801 1.00 0.00 H new ATOM 377 N GLU A 25 -8.080 -2.589 7.408 1.00 0.00 N ATOM 378 CA GLU A 25 -7.793 -3.772 8.209 1.00 0.00 C ATOM 379 C GLU A 25 -8.228 -5.058 7.503 1.00 0.00 C ATOM 380 O GLU A 25 -7.411 -5.960 7.336 1.00 0.00 O ATOM 381 CB GLU A 25 -8.456 -3.683 9.572 1.00 0.00 C ATOM 382 CG GLU A 25 -7.819 -2.669 10.504 1.00 0.00 C ATOM 383 CD GLU A 25 -8.541 -2.566 11.834 1.00 0.00 C ATOM 384 OE1 GLU A 25 -9.484 -1.753 11.935 1.00 0.00 O ATOM 385 OE2 GLU A 25 -8.164 -3.298 12.772 1.00 0.00 O ATOM 0 H GLU A 25 -8.752 -1.948 7.830 1.00 0.00 H new ATOM 0 HA GLU A 25 -6.712 -3.807 8.343 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -9.507 -3.427 9.437 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -8.425 -4.665 10.044 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -6.779 -2.945 10.680 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -7.812 -1.692 10.022 1.00 0.00 H new ATOM 392 N PRO A 26 -9.524 -5.187 7.106 1.00 0.00 N ATOM 393 CA PRO A 26 -10.022 -6.375 6.405 1.00 0.00 C ATOM 394 C PRO A 26 -8.991 -6.927 5.431 1.00 0.00 C ATOM 395 O PRO A 26 -8.950 -8.127 5.154 1.00 0.00 O ATOM 396 CB PRO A 26 -11.234 -5.833 5.653 1.00 0.00 C ATOM 397 CG PRO A 26 -11.769 -4.747 6.522 1.00 0.00 C ATOM 398 CD PRO A 26 -10.606 -4.204 7.323 1.00 0.00 C ATOM 0 HA PRO A 26 -10.251 -7.201 7.079 1.00 0.00 H new ATOM 0 HB2 PRO A 26 -10.952 -5.451 4.672 1.00 0.00 H new ATOM 0 HB3 PRO A 26 -11.979 -6.612 5.490 1.00 0.00 H new ATOM 0 HG2 PRO A 26 -12.223 -3.960 5.920 1.00 0.00 H new ATOM 0 HG3 PRO A 26 -12.546 -5.130 7.183 1.00 0.00 H new ATOM 0 HD2 PRO A 26 -10.316 -3.211 6.980 1.00 0.00 H new ATOM 0 HD3 PRO A 26 -10.857 -4.116 8.380 1.00 0.00 H new ATOM 406 N LEU A 27 -8.162 -6.027 4.919 1.00 0.00 N ATOM 407 CA LEU A 27 -7.101 -6.375 3.992 1.00 0.00 C ATOM 408 C LEU A 27 -5.972 -7.102 4.717 1.00 0.00 C ATOM 409 O LEU A 27 -5.625 -8.234 4.380 1.00 0.00 O ATOM 410 CB LEU A 27 -6.560 -5.099 3.358 1.00 0.00 C ATOM 411 CG LEU A 27 -7.508 -4.402 2.377 1.00 0.00 C ATOM 412 CD1 LEU A 27 -6.904 -3.094 1.891 1.00 0.00 C ATOM 413 CD2 LEU A 27 -7.823 -5.312 1.198 1.00 0.00 C ATOM 0 H LEU A 27 -8.209 -5.032 5.138 1.00 0.00 H new ATOM 0 HA LEU A 27 -7.501 -7.036 3.224 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -6.306 -4.398 4.153 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -5.634 -5.337 2.835 1.00 0.00 H new ATOM 0 HG LEU A 27 -8.439 -4.181 2.899 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -7.591 -2.612 1.195 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -6.729 -2.436 2.742 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -5.959 -3.295 1.387 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -8.498 -4.799 0.513 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -6.900 -5.565 0.677 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -8.298 -6.224 1.559 1.00 0.00 H new ATOM 425 N LEU A 28 -5.406 -6.432 5.718 1.00 0.00 N ATOM 426 CA LEU A 28 -4.317 -6.993 6.509 1.00 0.00 C ATOM 427 C LEU A 28 -4.766 -8.263 7.224 1.00 0.00 C ATOM 428 O LEU A 28 -3.949 -9.125 7.553 1.00 0.00 O ATOM 429 CB LEU A 28 -3.828 -5.961 7.531 1.00 0.00 C ATOM 430 CG LEU A 28 -2.767 -6.463 8.514 1.00 0.00 C ATOM 431 CD1 LEU A 28 -1.458 -6.745 7.792 1.00 0.00 C ATOM 432 CD2 LEU A 28 -2.554 -5.451 9.630 1.00 0.00 C ATOM 0 H LEU A 28 -5.687 -5.493 6.001 1.00 0.00 H new ATOM 0 HA LEU A 28 -3.498 -7.249 5.836 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -3.423 -5.104 6.992 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -4.686 -5.603 8.100 1.00 0.00 H new ATOM 0 HG LEU A 28 -3.122 -7.394 8.956 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -0.717 -7.101 8.508 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -1.620 -7.506 7.029 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -1.098 -5.830 7.321 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -1.797 -5.824 10.320 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -2.222 -4.504 9.204 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -3.490 -5.299 10.167 1.00 0.00 H new ATOM 444 N GLU A 29 -6.069 -8.374 7.458 1.00 0.00 N ATOM 445 CA GLU A 29 -6.627 -9.534 8.138 1.00 0.00 C ATOM 446 C GLU A 29 -6.754 -10.714 7.179 1.00 0.00 C ATOM 447 O GLU A 29 -6.407 -11.845 7.521 1.00 0.00 O ATOM 448 CB GLU A 29 -7.995 -9.197 8.734 1.00 0.00 C ATOM 449 CG GLU A 29 -8.654 -10.368 9.449 1.00 0.00 C ATOM 450 CD GLU A 29 -7.821 -10.890 10.605 1.00 0.00 C ATOM 451 OE1 GLU A 29 -6.914 -11.713 10.359 1.00 0.00 O ATOM 452 OE2 GLU A 29 -8.077 -10.476 11.755 1.00 0.00 O ATOM 0 H GLU A 29 -6.758 -7.673 7.186 1.00 0.00 H new ATOM 0 HA GLU A 29 -5.948 -9.812 8.944 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -7.883 -8.371 9.436 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -8.654 -8.851 7.937 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -9.631 -10.059 9.821 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -8.825 -11.175 8.736 1.00 0.00 H new ATOM 459 N SER A 30 -7.254 -10.441 5.977 1.00 0.00 N ATOM 460 CA SER A 30 -7.429 -11.477 4.966 1.00 0.00 C ATOM 461 C SER A 30 -6.082 -12.035 4.516 1.00 0.00 C ATOM 462 O SER A 30 -6.019 -13.057 3.834 1.00 0.00 O ATOM 463 CB SER A 30 -8.192 -10.921 3.762 1.00 0.00 C ATOM 464 OG SER A 30 -7.544 -9.779 3.229 1.00 0.00 O ATOM 0 H SER A 30 -7.545 -9.510 5.680 1.00 0.00 H new ATOM 0 HA SER A 30 -8.006 -12.288 5.411 1.00 0.00 H new ATOM 0 HB2 SER A 30 -8.273 -11.689 2.993 1.00 0.00 H new ATOM 0 HB3 SER A 30 -9.208 -10.660 4.060 1.00 0.00 H new ATOM 0 HG SER A 30 -6.802 -9.521 3.815 1.00 0.00 H new ATOM 470 N LEU A 31 -5.005 -11.356 4.904 1.00 0.00 N ATOM 471 CA LEU A 31 -3.658 -11.786 4.543 1.00 0.00 C ATOM 472 C LEU A 31 -3.271 -13.062 5.284 1.00 0.00 C ATOM 473 O LEU A 31 -2.222 -13.650 5.021 1.00 0.00 O ATOM 474 CB LEU A 31 -2.644 -10.679 4.846 1.00 0.00 C ATOM 475 CG LEU A 31 -2.618 -9.524 3.842 1.00 0.00 C ATOM 476 CD1 LEU A 31 -1.673 -8.429 4.314 1.00 0.00 C ATOM 477 CD2 LEU A 31 -2.206 -10.022 2.465 1.00 0.00 C ATOM 0 H LEU A 31 -5.040 -10.507 5.468 1.00 0.00 H new ATOM 0 HA LEU A 31 -3.650 -11.994 3.473 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -2.857 -10.274 5.835 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -1.649 -11.122 4.891 1.00 0.00 H new ATOM 0 HG LEU A 31 -3.623 -9.108 3.772 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -1.667 -7.616 3.588 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -2.008 -8.051 5.280 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -0.666 -8.835 4.413 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -2.193 -9.187 1.765 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -1.211 -10.464 2.521 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -2.918 -10.773 2.122 1.00 0.00 H new ATOM 489 N SER A 32 -4.124 -13.486 6.213 1.00 0.00 N ATOM 490 CA SER A 32 -3.869 -14.693 6.992 1.00 0.00 C ATOM 491 C SER A 32 -4.866 -15.789 6.633 1.00 0.00 C ATOM 492 O SER A 32 -4.986 -16.790 7.340 1.00 0.00 O ATOM 493 CB SER A 32 -3.945 -14.388 8.489 1.00 0.00 C ATOM 494 OG SER A 32 -5.216 -13.868 8.840 1.00 0.00 O ATOM 0 H SER A 32 -4.997 -13.012 6.444 1.00 0.00 H new ATOM 0 HA SER A 32 -2.865 -15.045 6.753 1.00 0.00 H new ATOM 0 HB2 SER A 32 -3.750 -15.297 9.059 1.00 0.00 H new ATOM 0 HB3 SER A 32 -3.169 -13.671 8.757 1.00 0.00 H new ATOM 0 HG SER A 32 -5.349 -13.003 8.399 1.00 0.00 H new ATOM 500 N ASN A 33 -5.574 -15.593 5.526 1.00 0.00 N ATOM 501 CA ASN A 33 -6.561 -16.562 5.068 1.00 0.00 C ATOM 502 C ASN A 33 -5.886 -17.845 4.584 1.00 0.00 C ATOM 503 O ASN A 33 -4.774 -17.815 4.056 1.00 0.00 O ATOM 504 CB ASN A 33 -7.426 -15.945 3.964 1.00 0.00 C ATOM 505 CG ASN A 33 -7.917 -16.965 2.959 1.00 0.00 C ATOM 506 OD1 ASN A 33 -8.872 -17.699 3.214 1.00 0.00 O ATOM 507 ND2 ASN A 33 -7.270 -17.002 1.803 1.00 0.00 N ATOM 0 H ASN A 33 -5.482 -14.771 4.929 1.00 0.00 H new ATOM 0 HA ASN A 33 -7.205 -16.827 5.907 1.00 0.00 H new ATOM 0 HB2 ASN A 33 -8.283 -15.447 4.417 1.00 0.00 H new ATOM 0 HB3 ASN A 33 -6.851 -15.179 3.444 1.00 0.00 H new ATOM 0 HD21 ASN A 33 -7.558 -17.659 1.078 1.00 0.00 H new ATOM 0 HD22 ASN A 33 -6.484 -16.373 1.638 1.00 0.00 H new ATOM 514 N GLU A 34 -6.572 -18.970 4.774 1.00 0.00 N ATOM 515 CA GLU A 34 -6.049 -20.279 4.386 1.00 0.00 C ATOM 516 C GLU A 34 -5.687 -20.345 2.903 1.00 0.00 C ATOM 517 O GLU A 34 -4.634 -20.869 2.539 1.00 0.00 O ATOM 518 CB GLU A 34 -7.072 -21.370 4.711 1.00 0.00 C ATOM 519 CG GLU A 34 -7.476 -21.413 6.176 1.00 0.00 C ATOM 520 CD GLU A 34 -8.560 -22.437 6.450 1.00 0.00 C ATOM 521 OE1 GLU A 34 -8.219 -23.619 6.662 1.00 0.00 O ATOM 522 OE2 GLU A 34 -9.750 -22.055 6.452 1.00 0.00 O ATOM 0 H GLU A 34 -7.499 -19.001 5.198 1.00 0.00 H new ATOM 0 HA GLU A 34 -5.135 -20.440 4.957 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -7.963 -21.213 4.102 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -6.659 -22.338 4.429 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -6.601 -21.643 6.784 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -7.826 -20.427 6.482 1.00 0.00 H new ATOM 529 N ASP A 35 -6.558 -19.815 2.049 1.00 0.00 N ATOM 530 CA ASP A 35 -6.320 -19.842 0.608 1.00 0.00 C ATOM 531 C ASP A 35 -5.276 -18.808 0.197 1.00 0.00 C ATOM 532 O ASP A 35 -4.962 -17.888 0.952 1.00 0.00 O ATOM 533 CB ASP A 35 -7.624 -19.603 -0.156 1.00 0.00 C ATOM 534 CG ASP A 35 -8.643 -20.700 0.082 1.00 0.00 C ATOM 535 OD1 ASP A 35 -8.630 -21.695 -0.673 1.00 0.00 O ATOM 536 OD2 ASP A 35 -9.454 -20.565 1.021 1.00 0.00 O ATOM 0 H ASP A 35 -7.430 -19.364 2.327 1.00 0.00 H new ATOM 0 HA ASP A 35 -5.936 -20.830 0.355 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -8.048 -18.645 0.146 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -7.410 -19.535 -1.223 1.00 0.00 H new ATOM 541 N TRP A 36 -4.737 -18.976 -1.007 1.00 0.00 N ATOM 542 CA TRP A 36 -3.722 -18.066 -1.529 1.00 0.00 C ATOM 543 C TRP A 36 -4.325 -17.120 -2.563 1.00 0.00 C ATOM 544 O TRP A 36 -3.865 -15.989 -2.727 1.00 0.00 O ATOM 545 CB TRP A 36 -2.577 -18.863 -2.156 1.00 0.00 C ATOM 546 CG TRP A 36 -2.082 -19.976 -1.284 1.00 0.00 C ATOM 547 CD1 TRP A 36 -2.479 -21.283 -1.317 1.00 0.00 C ATOM 548 CD2 TRP A 36 -1.100 -19.884 -0.245 1.00 0.00 C ATOM 549 NE1 TRP A 36 -1.805 -22.006 -0.363 1.00 0.00 N ATOM 550 CE2 TRP A 36 -0.954 -21.170 0.307 1.00 0.00 C ATOM 551 CE3 TRP A 36 -0.329 -18.838 0.271 1.00 0.00 C ATOM 552 CZ2 TRP A 36 -0.071 -21.439 1.347 1.00 0.00 C ATOM 553 CZ3 TRP A 36 0.548 -19.108 1.306 1.00 0.00 C ATOM 554 CH2 TRP A 36 0.670 -20.399 1.834 1.00 0.00 C ATOM 0 H TRP A 36 -4.987 -19.735 -1.641 1.00 0.00 H new ATOM 0 HA TRP A 36 -3.334 -17.472 -0.702 1.00 0.00 H new ATOM 0 HB2 TRP A 36 -2.910 -19.277 -3.108 1.00 0.00 H new ATOM 0 HB3 TRP A 36 -1.750 -18.187 -2.375 1.00 0.00 H new ATOM 0 HD1 TRP A 36 -3.216 -21.689 -1.995 1.00 0.00 H new ATOM 0 HE1 TRP A 36 -1.920 -23.003 -0.183 1.00 0.00 H new ATOM 0 HE3 TRP A 36 -0.416 -17.839 -0.130 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 0.026 -22.434 1.755 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 1.149 -18.309 1.714 1.00 0.00 H new ATOM 0 HH2 TRP A 36 1.364 -20.577 2.642 1.00 0.00 H new ATOM 565 N ARG A 37 -5.356 -17.592 -3.255 1.00 0.00 N ATOM 566 CA ARG A 37 -6.028 -16.805 -4.275 1.00 0.00 C ATOM 567 C ARG A 37 -6.687 -15.565 -3.672 1.00 0.00 C ATOM 568 O ARG A 37 -6.767 -14.520 -4.318 1.00 0.00 O ATOM 569 CB ARG A 37 -7.072 -17.670 -4.978 1.00 0.00 C ATOM 570 CG ARG A 37 -7.770 -16.974 -6.128 1.00 0.00 C ATOM 571 CD ARG A 37 -6.808 -16.664 -7.264 1.00 0.00 C ATOM 572 NE ARG A 37 -7.491 -16.076 -8.413 1.00 0.00 N ATOM 573 CZ ARG A 37 -7.075 -16.213 -9.668 1.00 0.00 C ATOM 574 NH1 ARG A 37 -5.984 -16.920 -9.938 1.00 0.00 N ATOM 575 NH2 ARG A 37 -7.751 -15.645 -10.657 1.00 0.00 N ATOM 0 H ARG A 37 -5.745 -18.526 -3.124 1.00 0.00 H new ATOM 0 HA ARG A 37 -5.286 -16.468 -4.999 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -6.590 -18.573 -5.351 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -7.819 -17.985 -4.249 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -8.579 -17.604 -6.498 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -8.224 -16.049 -5.772 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -6.038 -15.979 -6.910 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -6.303 -17.580 -7.572 1.00 0.00 H new ATOM 0 HE ARG A 37 -8.335 -15.529 -8.243 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -5.461 -17.361 -9.181 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -5.668 -17.023 -10.903 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -8.591 -15.102 -10.455 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -7.431 -15.750 -11.620 1.00 0.00 H new ATOM 589 N ILE A 38 -7.158 -15.690 -2.434 1.00 0.00 N ATOM 590 CA ILE A 38 -7.807 -14.576 -1.749 1.00 0.00 C ATOM 591 C ILE A 38 -6.771 -13.626 -1.155 1.00 0.00 C ATOM 592 O ILE A 38 -6.919 -12.406 -1.229 1.00 0.00 O ATOM 593 CB ILE A 38 -8.742 -15.068 -0.624 1.00 0.00 C ATOM 594 CG1 ILE A 38 -9.808 -16.009 -1.193 1.00 0.00 C ATOM 595 CG2 ILE A 38 -9.395 -13.885 0.081 1.00 0.00 C ATOM 596 CD1 ILE A 38 -10.672 -16.658 -0.131 1.00 0.00 C ATOM 0 H ILE A 38 -7.103 -16.549 -1.886 1.00 0.00 H new ATOM 0 HA ILE A 38 -8.402 -14.048 -2.495 1.00 0.00 H new ATOM 0 HB ILE A 38 -8.148 -15.618 0.106 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -10.446 -15.450 -1.877 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -9.319 -16.788 -1.778 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -10.051 -14.249 0.871 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -8.623 -13.249 0.514 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -9.978 -13.310 -0.638 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -11.404 -17.311 -0.606 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -10.045 -17.245 0.540 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -11.190 -15.886 0.439 1.00 0.00 H new ATOM 608 N ARG A 39 -5.724 -14.195 -0.565 1.00 0.00 N ATOM 609 CA ARG A 39 -4.661 -13.402 0.043 1.00 0.00 C ATOM 610 C ARG A 39 -3.969 -12.535 -1.003 1.00 0.00 C ATOM 611 O ARG A 39 -3.464 -11.456 -0.694 1.00 0.00 O ATOM 612 CB ARG A 39 -3.637 -14.312 0.724 1.00 0.00 C ATOM 613 CG ARG A 39 -2.488 -13.555 1.373 1.00 0.00 C ATOM 614 CD ARG A 39 -1.399 -14.497 1.858 1.00 0.00 C ATOM 615 NE ARG A 39 -1.902 -15.471 2.823 1.00 0.00 N ATOM 616 CZ ARG A 39 -1.129 -16.347 3.460 1.00 0.00 C ATOM 617 NH1 ARG A 39 0.179 -16.367 3.239 1.00 0.00 N ATOM 618 NH2 ARG A 39 -1.663 -17.202 4.320 1.00 0.00 N ATOM 0 H ARG A 39 -5.589 -15.204 -0.495 1.00 0.00 H new ATOM 0 HA ARG A 39 -5.111 -12.752 0.793 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -4.142 -14.910 1.483 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -3.234 -15.007 -0.013 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -2.067 -12.849 0.657 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -2.865 -12.971 2.213 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -0.969 -15.022 1.005 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -0.596 -13.918 2.314 1.00 0.00 H new ATOM 0 HE ARG A 39 -2.903 -15.480 3.020 1.00 0.00 H new ATOM 0 HH11 ARG A 39 0.595 -15.710 2.579 1.00 0.00 H new ATOM 0 HH12 ARG A 39 0.769 -17.040 3.729 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -2.668 -17.189 4.494 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -1.069 -17.873 4.807 1.00 0.00 H new ATOM 632 N GLY A 40 -3.946 -13.019 -2.241 1.00 0.00 N ATOM 633 CA GLY A 40 -3.314 -12.276 -3.315 1.00 0.00 C ATOM 634 C GLY A 40 -3.886 -10.882 -3.465 1.00 0.00 C ATOM 635 O GLY A 40 -3.181 -9.893 -3.273 1.00 0.00 O ATOM 0 H GLY A 40 -4.354 -13.912 -2.519 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -2.243 -12.208 -3.125 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -3.438 -12.820 -4.252 1.00 0.00 H new ATOM 639 N ALA A 41 -5.171 -10.805 -3.800 1.00 0.00 N ATOM 640 CA ALA A 41 -5.846 -9.523 -3.979 1.00 0.00 C ATOM 641 C ALA A 41 -5.608 -8.595 -2.790 1.00 0.00 C ATOM 642 O ALA A 41 -5.603 -7.374 -2.941 1.00 0.00 O ATOM 643 CB ALA A 41 -7.337 -9.740 -4.192 1.00 0.00 C ATOM 0 H ALA A 41 -5.767 -11.618 -3.953 1.00 0.00 H new ATOM 0 HA ALA A 41 -5.426 -9.043 -4.863 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -7.830 -8.777 -4.324 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -7.492 -10.352 -5.080 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -7.759 -10.247 -3.324 1.00 0.00 H new ATOM 649 N ALA A 42 -5.410 -9.177 -1.610 1.00 0.00 N ATOM 650 CA ALA A 42 -5.167 -8.387 -0.407 1.00 0.00 C ATOM 651 C ALA A 42 -3.855 -7.620 -0.527 1.00 0.00 C ATOM 652 O ALA A 42 -3.812 -6.408 -0.325 1.00 0.00 O ATOM 653 CB ALA A 42 -5.153 -9.280 0.825 1.00 0.00 C ATOM 0 H ALA A 42 -5.413 -10.186 -1.462 1.00 0.00 H new ATOM 0 HA ALA A 42 -5.978 -7.667 -0.299 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -4.970 -8.673 1.712 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -6.115 -9.783 0.921 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -4.363 -10.024 0.726 1.00 0.00 H new ATOM 659 N ALA A 43 -2.788 -8.340 -0.856 1.00 0.00 N ATOM 660 CA ALA A 43 -1.470 -7.736 -1.022 1.00 0.00 C ATOM 661 C ALA A 43 -1.451 -6.808 -2.233 1.00 0.00 C ATOM 662 O ALA A 43 -0.732 -5.808 -2.258 1.00 0.00 O ATOM 663 CB ALA A 43 -0.423 -8.823 -1.194 1.00 0.00 C ATOM 0 H ALA A 43 -2.810 -9.347 -1.014 1.00 0.00 H new ATOM 0 HA ALA A 43 -1.244 -7.150 -0.131 1.00 0.00 H new ATOM 0 HB1 ALA A 43 0.559 -8.366 -1.318 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -0.416 -9.465 -0.313 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -0.659 -9.419 -2.075 1.00 0.00 H new ATOM 669 N TRP A 44 -2.256 -7.156 -3.233 1.00 0.00 N ATOM 670 CA TRP A 44 -2.338 -6.386 -4.471 1.00 0.00 C ATOM 671 C TRP A 44 -3.029 -5.036 -4.269 1.00 0.00 C ATOM 672 O TRP A 44 -2.749 -4.079 -4.991 1.00 0.00 O ATOM 673 CB TRP A 44 -3.079 -7.198 -5.536 1.00 0.00 C ATOM 674 CG TRP A 44 -2.193 -8.164 -6.260 1.00 0.00 C ATOM 675 CD1 TRP A 44 -1.549 -9.241 -5.728 1.00 0.00 C ATOM 676 CD2 TRP A 44 -1.851 -8.139 -7.650 1.00 0.00 C ATOM 677 NE1 TRP A 44 -0.819 -9.883 -6.698 1.00 0.00 N ATOM 678 CE2 TRP A 44 -0.990 -9.227 -7.888 1.00 0.00 C ATOM 679 CE3 TRP A 44 -2.187 -7.301 -8.717 1.00 0.00 C ATOM 680 CZ2 TRP A 44 -0.462 -9.499 -9.146 1.00 0.00 C ATOM 681 CZ3 TRP A 44 -1.662 -7.572 -9.967 1.00 0.00 C ATOM 682 CH2 TRP A 44 -0.807 -8.662 -10.172 1.00 0.00 C ATOM 0 H TRP A 44 -2.866 -7.973 -3.209 1.00 0.00 H new ATOM 0 HA TRP A 44 -1.319 -6.183 -4.800 1.00 0.00 H new ATOM 0 HB2 TRP A 44 -3.895 -7.746 -5.064 1.00 0.00 H new ATOM 0 HB3 TRP A 44 -3.528 -6.516 -6.257 1.00 0.00 H new ATOM 0 HD1 TRP A 44 -1.605 -9.545 -4.693 1.00 0.00 H new ATOM 0 HE1 TRP A 44 -0.243 -10.713 -6.555 1.00 0.00 H new ATOM 0 HE3 TRP A 44 -2.845 -6.457 -8.568 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 0.196 -10.340 -9.307 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 -1.916 -6.932 -10.799 1.00 0.00 H new ATOM 0 HH2 TRP A 44 -0.412 -8.846 -11.160 1.00 0.00 H new ATOM 693 N ILE A 45 -3.927 -4.960 -3.291 1.00 0.00 N ATOM 694 CA ILE A 45 -4.659 -3.724 -3.024 1.00 0.00 C ATOM 695 C ILE A 45 -4.042 -2.943 -1.869 1.00 0.00 C ATOM 696 O ILE A 45 -4.144 -1.717 -1.810 1.00 0.00 O ATOM 697 CB ILE A 45 -6.140 -4.013 -2.699 1.00 0.00 C ATOM 698 CG1 ILE A 45 -6.806 -4.742 -3.867 1.00 0.00 C ATOM 699 CG2 ILE A 45 -6.882 -2.720 -2.383 1.00 0.00 C ATOM 700 CD1 ILE A 45 -8.184 -5.277 -3.542 1.00 0.00 C ATOM 0 H ILE A 45 -4.165 -5.735 -2.672 1.00 0.00 H new ATOM 0 HA ILE A 45 -4.597 -3.122 -3.931 1.00 0.00 H new ATOM 0 HB ILE A 45 -6.183 -4.655 -1.819 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -6.881 -4.060 -4.714 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -6.169 -5.569 -4.179 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -7.924 -2.945 -2.157 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -6.420 -2.236 -1.522 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -6.833 -2.053 -3.244 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -8.594 -5.781 -4.417 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -8.114 -5.984 -2.715 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -8.837 -4.452 -3.259 1.00 0.00 H new ATOM 712 N ILE A 46 -3.399 -3.659 -0.957 1.00 0.00 N ATOM 713 CA ILE A 46 -2.787 -3.035 0.207 1.00 0.00 C ATOM 714 C ILE A 46 -1.716 -2.019 -0.190 1.00 0.00 C ATOM 715 O ILE A 46 -1.498 -1.032 0.511 1.00 0.00 O ATOM 716 CB ILE A 46 -2.187 -4.100 1.155 1.00 0.00 C ATOM 717 CG1 ILE A 46 -2.386 -3.672 2.607 1.00 0.00 C ATOM 718 CG2 ILE A 46 -0.710 -4.333 0.862 1.00 0.00 C ATOM 719 CD1 ILE A 46 -2.437 -4.830 3.577 1.00 0.00 C ATOM 0 H ILE A 46 -3.288 -4.672 -1.001 1.00 0.00 H new ATOM 0 HA ILE A 46 -3.577 -2.500 0.735 1.00 0.00 H new ATOM 0 HB ILE A 46 -2.708 -5.042 0.986 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -1.575 -3.003 2.895 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -3.312 -3.102 2.686 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -0.318 -5.087 1.545 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -0.593 -4.678 -0.165 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -0.161 -3.401 0.996 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -2.580 -4.451 4.589 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -3.266 -5.488 3.315 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -1.502 -5.388 3.527 1.00 0.00 H new ATOM 731 N GLY A 47 -1.059 -2.256 -1.321 1.00 0.00 N ATOM 732 CA GLY A 47 -0.017 -1.350 -1.776 1.00 0.00 C ATOM 733 C GLY A 47 -0.537 0.037 -2.091 1.00 0.00 C ATOM 734 O GLY A 47 0.229 1.000 -2.116 1.00 0.00 O ATOM 0 H GLY A 47 -1.228 -3.057 -1.930 1.00 0.00 H new ATOM 0 HA2 GLY A 47 0.754 -1.278 -1.009 1.00 0.00 H new ATOM 0 HA3 GLY A 47 0.456 -1.766 -2.666 1.00 0.00 H new ATOM 738 N ASN A 48 -1.838 0.145 -2.334 1.00 0.00 N ATOM 739 CA ASN A 48 -2.446 1.433 -2.645 1.00 0.00 C ATOM 740 C ASN A 48 -2.365 2.364 -1.442 1.00 0.00 C ATOM 741 O ASN A 48 -2.403 3.587 -1.586 1.00 0.00 O ATOM 742 CB ASN A 48 -3.905 1.249 -3.062 1.00 0.00 C ATOM 743 CG ASN A 48 -4.083 0.155 -4.099 1.00 0.00 C ATOM 744 OD1 ASN A 48 -5.127 -0.494 -4.158 1.00 0.00 O ATOM 745 ND2 ASN A 48 -3.063 -0.055 -4.925 1.00 0.00 N ATOM 0 H ASN A 48 -2.489 -0.640 -2.322 1.00 0.00 H new ATOM 0 HA ASN A 48 -1.896 1.879 -3.474 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -4.503 1.011 -2.182 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -4.286 2.189 -3.462 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -3.128 -0.777 -5.642 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -2.215 0.506 -4.841 1.00 0.00 H new ATOM 752 N PHE A 49 -2.253 1.776 -0.256 1.00 0.00 N ATOM 753 CA PHE A 49 -2.164 2.547 0.976 1.00 0.00 C ATOM 754 C PHE A 49 -0.706 2.746 1.377 1.00 0.00 C ATOM 755 O PHE A 49 -0.029 1.804 1.785 1.00 0.00 O ATOM 756 CB PHE A 49 -2.926 1.845 2.105 1.00 0.00 C ATOM 757 CG PHE A 49 -4.402 1.695 1.848 1.00 0.00 C ATOM 758 CD1 PHE A 49 -4.863 0.865 0.838 1.00 0.00 C ATOM 759 CD2 PHE A 49 -5.329 2.380 2.620 1.00 0.00 C ATOM 760 CE1 PHE A 49 -6.217 0.723 0.602 1.00 0.00 C ATOM 761 CE2 PHE A 49 -6.684 2.242 2.388 1.00 0.00 C ATOM 762 CZ PHE A 49 -7.128 1.413 1.377 1.00 0.00 C ATOM 0 H PHE A 49 -2.222 0.765 -0.123 1.00 0.00 H new ATOM 0 HA PHE A 49 -2.617 3.523 0.801 1.00 0.00 H new ATOM 0 HB2 PHE A 49 -2.493 0.857 2.262 1.00 0.00 H new ATOM 0 HB3 PHE A 49 -2.784 2.406 3.029 1.00 0.00 H new ATOM 0 HD1 PHE A 49 -4.155 0.323 0.228 1.00 0.00 H new ATOM 0 HD2 PHE A 49 -4.987 3.029 3.412 1.00 0.00 H new ATOM 0 HE1 PHE A 49 -6.563 0.073 -0.188 1.00 0.00 H new ATOM 0 HE2 PHE A 49 -7.395 2.782 2.996 1.00 0.00 H new ATOM 0 HZ PHE A 49 -8.187 1.304 1.193 1.00 0.00 H new ATOM 772 N GLN A 50 -0.230 3.979 1.253 1.00 0.00 N ATOM 773 CA GLN A 50 1.150 4.316 1.605 1.00 0.00 C ATOM 774 C GLN A 50 1.356 4.300 3.116 1.00 0.00 C ATOM 775 O GLN A 50 2.339 4.838 3.626 1.00 0.00 O ATOM 776 CB GLN A 50 1.514 5.693 1.052 1.00 0.00 C ATOM 777 CG GLN A 50 1.006 5.919 -0.357 1.00 0.00 C ATOM 778 CD GLN A 50 1.729 7.046 -1.069 1.00 0.00 C ATOM 779 OE1 GLN A 50 2.900 7.317 -0.800 1.00 0.00 O ATOM 780 NE2 GLN A 50 1.033 7.711 -1.985 1.00 0.00 N ATOM 0 H GLN A 50 -0.779 4.767 0.910 1.00 0.00 H new ATOM 0 HA GLN A 50 1.800 3.562 1.162 1.00 0.00 H new ATOM 0 HB2 GLN A 50 1.104 6.461 1.708 1.00 0.00 H new ATOM 0 HB3 GLN A 50 2.598 5.808 1.064 1.00 0.00 H new ATOM 0 HG2 GLN A 50 1.121 5.000 -0.931 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -0.060 6.142 -0.322 1.00 0.00 H new ATOM 0 HE21 GLN A 50 0.065 7.453 -2.176 1.00 0.00 H new ATOM 0 HE22 GLN A 50 1.467 8.479 -2.497 1.00 0.00 H new ATOM 789 N ASP A 51 0.423 3.676 3.823 1.00 0.00 N ATOM 790 CA ASP A 51 0.494 3.583 5.277 1.00 0.00 C ATOM 791 C ASP A 51 1.375 2.409 5.699 1.00 0.00 C ATOM 792 O ASP A 51 1.633 1.502 4.910 1.00 0.00 O ATOM 793 CB ASP A 51 -0.913 3.427 5.858 1.00 0.00 C ATOM 794 CG ASP A 51 -0.918 3.415 7.374 1.00 0.00 C ATOM 795 OD1 ASP A 51 -0.607 4.463 7.976 1.00 0.00 O ATOM 796 OD2 ASP A 51 -1.233 2.357 7.958 1.00 0.00 O ATOM 0 H ASP A 51 -0.395 3.225 3.412 1.00 0.00 H new ATOM 0 HA ASP A 51 0.939 4.500 5.664 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -1.542 4.243 5.502 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -1.354 2.501 5.489 1.00 0.00 H new ATOM 801 N GLU A 52 1.831 2.432 6.951 1.00 0.00 N ATOM 802 CA GLU A 52 2.696 1.376 7.472 1.00 0.00 C ATOM 803 C GLU A 52 1.963 0.039 7.552 1.00 0.00 C ATOM 804 O GLU A 52 2.583 -1.021 7.453 1.00 0.00 O ATOM 805 CB GLU A 52 3.235 1.760 8.851 1.00 0.00 C ATOM 806 CG GLU A 52 2.167 1.833 9.930 1.00 0.00 C ATOM 807 CD GLU A 52 2.732 2.214 11.283 1.00 0.00 C ATOM 808 OE1 GLU A 52 3.142 1.304 12.034 1.00 0.00 O ATOM 809 OE2 GLU A 52 2.767 3.423 11.592 1.00 0.00 O ATOM 0 H GLU A 52 1.616 3.170 7.622 1.00 0.00 H new ATOM 0 HA GLU A 52 3.530 1.262 6.780 1.00 0.00 H new ATOM 0 HB2 GLU A 52 3.991 1.034 9.150 1.00 0.00 H new ATOM 0 HB3 GLU A 52 3.733 2.727 8.780 1.00 0.00 H new ATOM 0 HG2 GLU A 52 1.410 2.561 9.638 1.00 0.00 H new ATOM 0 HG3 GLU A 52 1.667 0.867 10.008 1.00 0.00 H new ATOM 816 N ARG A 53 0.648 0.090 7.736 1.00 0.00 N ATOM 817 CA ARG A 53 -0.155 -1.126 7.825 1.00 0.00 C ATOM 818 C ARG A 53 -0.108 -1.894 6.509 1.00 0.00 C ATOM 819 O ARG A 53 -0.491 -3.062 6.442 1.00 0.00 O ATOM 820 CB ARG A 53 -1.607 -0.786 8.181 1.00 0.00 C ATOM 821 CG ARG A 53 -2.464 -2.004 8.485 1.00 0.00 C ATOM 822 CD ARG A 53 -3.795 -1.609 9.103 1.00 0.00 C ATOM 823 NE ARG A 53 -3.621 -0.781 10.294 1.00 0.00 N ATOM 824 CZ ARG A 53 -4.193 -1.043 11.466 1.00 0.00 C ATOM 825 NH1 ARG A 53 -4.961 -2.115 11.610 1.00 0.00 N ATOM 826 NH2 ARG A 53 -3.994 -0.235 12.498 1.00 0.00 N ATOM 0 H ARG A 53 0.117 0.956 7.826 1.00 0.00 H new ATOM 0 HA ARG A 53 0.262 -1.753 8.613 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -1.614 -0.123 9.046 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -2.055 -0.235 7.354 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -2.640 -2.564 7.567 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -1.928 -2.666 9.165 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -4.389 -1.066 8.368 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -4.354 -2.507 9.364 1.00 0.00 H new ATOM 0 HE ARG A 53 -3.027 0.045 10.223 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -5.115 -2.742 10.820 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -5.398 -2.312 12.510 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -3.402 0.589 12.394 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -4.433 -0.437 13.396 1.00 0.00 H new ATOM 840 N ALA A 54 0.374 -1.227 5.465 1.00 0.00 N ATOM 841 CA ALA A 54 0.474 -1.832 4.146 1.00 0.00 C ATOM 842 C ALA A 54 1.919 -2.181 3.829 1.00 0.00 C ATOM 843 O ALA A 54 2.208 -2.873 2.852 1.00 0.00 O ATOM 844 CB ALA A 54 -0.083 -0.890 3.094 1.00 0.00 C ATOM 0 H ALA A 54 0.702 -0.262 5.510 1.00 0.00 H new ATOM 0 HA ALA A 54 -0.112 -2.751 4.140 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -0.003 -1.354 2.111 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -1.130 -0.680 3.312 1.00 0.00 H new ATOM 0 HB3 ALA A 54 0.483 0.041 3.103 1.00 0.00 H new ATOM 850 N VAL A 55 2.822 -1.691 4.668 1.00 0.00 N ATOM 851 CA VAL A 55 4.245 -1.929 4.491 1.00 0.00 C ATOM 852 C VAL A 55 4.662 -3.288 5.049 1.00 0.00 C ATOM 853 O VAL A 55 5.527 -3.957 4.484 1.00 0.00 O ATOM 854 CB VAL A 55 5.074 -0.823 5.169 1.00 0.00 C ATOM 855 CG1 VAL A 55 6.559 -1.081 4.993 1.00 0.00 C ATOM 856 CG2 VAL A 55 4.698 0.542 4.614 1.00 0.00 C ATOM 0 H VAL A 55 2.590 -1.123 5.483 1.00 0.00 H new ATOM 0 HA VAL A 55 4.439 -1.920 3.418 1.00 0.00 H new ATOM 0 HB VAL A 55 4.851 -0.834 6.236 1.00 0.00 H new ATOM 0 HG11 VAL A 55 7.126 -0.288 5.480 1.00 0.00 H new ATOM 0 HG12 VAL A 55 6.817 -2.040 5.442 1.00 0.00 H new ATOM 0 HG13 VAL A 55 6.801 -1.101 3.930 1.00 0.00 H new ATOM 0 HG21 VAL A 55 5.294 1.311 5.105 1.00 0.00 H new ATOM 0 HG22 VAL A 55 4.890 0.564 3.541 1.00 0.00 H new ATOM 0 HG23 VAL A 55 3.640 0.731 4.797 1.00 0.00 H new ATOM 866 N GLU A 56 4.044 -3.695 6.156 1.00 0.00 N ATOM 867 CA GLU A 56 4.370 -4.977 6.778 1.00 0.00 C ATOM 868 C GLU A 56 4.103 -6.144 5.820 1.00 0.00 C ATOM 869 O GLU A 56 4.967 -7.002 5.643 1.00 0.00 O ATOM 870 CB GLU A 56 3.584 -5.176 8.077 1.00 0.00 C ATOM 871 CG GLU A 56 4.028 -6.399 8.863 1.00 0.00 C ATOM 872 CD GLU A 56 5.174 -6.098 9.809 1.00 0.00 C ATOM 873 OE1 GLU A 56 4.905 -5.661 10.948 1.00 0.00 O ATOM 874 OE2 GLU A 56 6.342 -6.302 9.412 1.00 0.00 O ATOM 0 H GLU A 56 3.321 -3.161 6.638 1.00 0.00 H new ATOM 0 HA GLU A 56 5.434 -4.961 7.014 1.00 0.00 H new ATOM 0 HB2 GLU A 56 3.696 -4.290 8.702 1.00 0.00 H new ATOM 0 HB3 GLU A 56 2.524 -5.268 7.842 1.00 0.00 H new ATOM 0 HG2 GLU A 56 3.183 -6.787 9.433 1.00 0.00 H new ATOM 0 HG3 GLU A 56 4.331 -7.183 8.169 1.00 0.00 H new ATOM 881 N PRO A 57 2.903 -6.203 5.198 1.00 0.00 N ATOM 882 CA PRO A 57 2.561 -7.273 4.256 1.00 0.00 C ATOM 883 C PRO A 57 3.690 -7.547 3.275 1.00 0.00 C ATOM 884 O PRO A 57 4.122 -8.685 3.107 1.00 0.00 O ATOM 885 CB PRO A 57 1.348 -6.710 3.520 1.00 0.00 C ATOM 886 CG PRO A 57 0.690 -5.819 4.513 1.00 0.00 C ATOM 887 CD PRO A 57 1.790 -5.244 5.362 1.00 0.00 C ATOM 0 HA PRO A 57 2.374 -8.223 4.757 1.00 0.00 H new ATOM 0 HB2 PRO A 57 1.646 -6.159 2.628 1.00 0.00 H new ATOM 0 HB3 PRO A 57 0.677 -7.505 3.194 1.00 0.00 H new ATOM 0 HG2 PRO A 57 0.131 -5.028 4.014 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -0.021 -6.376 5.123 1.00 0.00 H new ATOM 0 HD2 PRO A 57 2.071 -4.245 5.029 1.00 0.00 H new ATOM 0 HD3 PRO A 57 1.486 -5.159 6.405 1.00 0.00 H new ATOM 895 N LEU A 58 4.169 -6.485 2.643 1.00 0.00 N ATOM 896 CA LEU A 58 5.244 -6.589 1.666 1.00 0.00 C ATOM 897 C LEU A 58 6.468 -7.290 2.249 1.00 0.00 C ATOM 898 O LEU A 58 7.159 -8.024 1.548 1.00 0.00 O ATOM 899 CB LEU A 58 5.625 -5.197 1.152 1.00 0.00 C ATOM 900 CG LEU A 58 4.454 -4.221 0.985 1.00 0.00 C ATOM 901 CD1 LEU A 58 4.911 -2.944 0.301 1.00 0.00 C ATOM 902 CD2 LEU A 58 3.316 -4.869 0.209 1.00 0.00 C ATOM 0 H LEU A 58 3.827 -5.535 2.791 1.00 0.00 H new ATOM 0 HA LEU A 58 4.882 -7.193 0.834 1.00 0.00 H new ATOM 0 HB2 LEU A 58 6.348 -4.758 1.840 1.00 0.00 H new ATOM 0 HB3 LEU A 58 6.126 -5.307 0.190 1.00 0.00 H new ATOM 0 HG LEU A 58 4.085 -3.963 1.977 1.00 0.00 H new ATOM 0 HD11 LEU A 58 4.064 -2.266 0.193 1.00 0.00 H new ATOM 0 HD12 LEU A 58 5.684 -2.466 0.902 1.00 0.00 H new ATOM 0 HD13 LEU A 58 5.313 -3.182 -0.684 1.00 0.00 H new ATOM 0 HD21 LEU A 58 2.497 -4.158 0.103 1.00 0.00 H new ATOM 0 HD22 LEU A 58 3.671 -5.164 -0.779 1.00 0.00 H new ATOM 0 HD23 LEU A 58 2.965 -5.750 0.746 1.00 0.00 H new ATOM 914 N ILE A 59 6.733 -7.068 3.531 1.00 0.00 N ATOM 915 CA ILE A 59 7.885 -7.683 4.182 1.00 0.00 C ATOM 916 C ILE A 59 7.800 -9.211 4.150 1.00 0.00 C ATOM 917 O ILE A 59 8.665 -9.879 3.584 1.00 0.00 O ATOM 918 CB ILE A 59 8.015 -7.216 5.648 1.00 0.00 C ATOM 919 CG1 ILE A 59 8.156 -5.690 5.718 1.00 0.00 C ATOM 920 CG2 ILE A 59 9.197 -7.898 6.324 1.00 0.00 C ATOM 921 CD1 ILE A 59 9.409 -5.155 5.056 1.00 0.00 C ATOM 0 H ILE A 59 6.171 -6.471 4.137 1.00 0.00 H new ATOM 0 HA ILE A 59 8.766 -7.365 3.624 1.00 0.00 H new ATOM 0 HB ILE A 59 7.107 -7.499 6.181 1.00 0.00 H new ATOM 0 HG12 ILE A 59 7.286 -5.233 5.247 1.00 0.00 H new ATOM 0 HG13 ILE A 59 8.151 -5.383 6.764 1.00 0.00 H new ATOM 0 HG21 ILE A 59 9.273 -7.556 7.356 1.00 0.00 H new ATOM 0 HG22 ILE A 59 9.051 -8.978 6.309 1.00 0.00 H new ATOM 0 HG23 ILE A 59 10.115 -7.648 5.791 1.00 0.00 H new ATOM 0 HD11 ILE A 59 9.434 -4.069 5.149 1.00 0.00 H new ATOM 0 HD12 ILE A 59 10.287 -5.581 5.541 1.00 0.00 H new ATOM 0 HD13 ILE A 59 9.409 -5.429 4.001 1.00 0.00 H new ATOM 933 N LYS A 60 6.751 -9.753 4.762 1.00 0.00 N ATOM 934 CA LYS A 60 6.548 -11.200 4.818 1.00 0.00 C ATOM 935 C LYS A 60 6.151 -11.778 3.460 1.00 0.00 C ATOM 936 O LYS A 60 6.133 -12.995 3.278 1.00 0.00 O ATOM 937 CB LYS A 60 5.479 -11.547 5.858 1.00 0.00 C ATOM 938 CG LYS A 60 5.997 -11.570 7.288 1.00 0.00 C ATOM 939 CD LYS A 60 6.407 -10.185 7.763 1.00 0.00 C ATOM 940 CE LYS A 60 6.900 -10.213 9.200 1.00 0.00 C ATOM 941 NZ LYS A 60 8.096 -11.083 9.361 1.00 0.00 N ATOM 0 H LYS A 60 6.024 -9.210 5.229 1.00 0.00 H new ATOM 0 HA LYS A 60 7.500 -11.647 5.106 1.00 0.00 H new ATOM 0 HB2 LYS A 60 4.668 -10.822 5.787 1.00 0.00 H new ATOM 0 HB3 LYS A 60 5.056 -12.523 5.619 1.00 0.00 H new ATOM 0 HG2 LYS A 60 5.225 -11.967 7.948 1.00 0.00 H new ATOM 0 HG3 LYS A 60 6.851 -12.244 7.354 1.00 0.00 H new ATOM 0 HD2 LYS A 60 7.192 -9.795 7.115 1.00 0.00 H new ATOM 0 HD3 LYS A 60 5.559 -9.505 7.681 1.00 0.00 H new ATOM 0 HE2 LYS A 60 7.143 -9.200 9.520 1.00 0.00 H new ATOM 0 HE3 LYS A 60 6.102 -10.570 9.851 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 8.521 -10.920 10.296 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 7.813 -12.080 9.279 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 8.791 -10.858 8.621 1.00 0.00 H new ATOM 955 N LEU A 61 5.833 -10.903 2.513 1.00 0.00 N ATOM 956 CA LEU A 61 5.410 -11.333 1.181 1.00 0.00 C ATOM 957 C LEU A 61 6.587 -11.517 0.228 1.00 0.00 C ATOM 958 O LEU A 61 6.686 -12.535 -0.457 1.00 0.00 O ATOM 959 CB LEU A 61 4.435 -10.311 0.601 1.00 0.00 C ATOM 960 CG LEU A 61 2.947 -10.592 0.842 1.00 0.00 C ATOM 961 CD1 LEU A 61 2.706 -11.200 2.220 1.00 0.00 C ATOM 962 CD2 LEU A 61 2.146 -9.312 0.686 1.00 0.00 C ATOM 0 H LEU A 61 5.859 -9.891 2.641 1.00 0.00 H new ATOM 0 HA LEU A 61 4.924 -12.303 1.289 1.00 0.00 H new ATOM 0 HB2 LEU A 61 4.672 -9.333 1.020 1.00 0.00 H new ATOM 0 HB3 LEU A 61 4.603 -10.247 -0.474 1.00 0.00 H new ATOM 0 HG LEU A 61 2.618 -11.318 0.098 1.00 0.00 H new ATOM 0 HD11 LEU A 61 1.640 -11.385 2.355 1.00 0.00 H new ATOM 0 HD12 LEU A 61 3.251 -12.140 2.303 1.00 0.00 H new ATOM 0 HD13 LEU A 61 3.054 -10.510 2.988 1.00 0.00 H new ATOM 0 HD21 LEU A 61 1.090 -9.520 0.859 1.00 0.00 H new ATOM 0 HD22 LEU A 61 2.494 -8.575 1.410 1.00 0.00 H new ATOM 0 HD23 LEU A 61 2.278 -8.921 -0.323 1.00 0.00 H new ATOM 974 N LEU A 62 7.474 -10.531 0.186 1.00 0.00 N ATOM 975 CA LEU A 62 8.634 -10.579 -0.695 1.00 0.00 C ATOM 976 C LEU A 62 9.513 -11.779 -0.367 1.00 0.00 C ATOM 977 O LEU A 62 10.414 -12.131 -1.128 1.00 0.00 O ATOM 978 CB LEU A 62 9.431 -9.279 -0.577 1.00 0.00 C ATOM 979 CG LEU A 62 8.654 -8.020 -0.964 1.00 0.00 C ATOM 980 CD1 LEU A 62 9.324 -6.779 -0.396 1.00 0.00 C ATOM 981 CD2 LEU A 62 8.530 -7.913 -2.477 1.00 0.00 C ATOM 0 H LEU A 62 7.412 -9.686 0.754 1.00 0.00 H new ATOM 0 HA LEU A 62 8.288 -10.688 -1.723 1.00 0.00 H new ATOM 0 HB2 LEU A 62 9.780 -9.174 0.450 1.00 0.00 H new ATOM 0 HB3 LEU A 62 10.317 -9.352 -1.208 1.00 0.00 H new ATOM 0 HG LEU A 62 7.653 -8.093 -0.540 1.00 0.00 H new ATOM 0 HD11 LEU A 62 8.755 -5.895 -0.683 1.00 0.00 H new ATOM 0 HD12 LEU A 62 9.360 -6.850 0.691 1.00 0.00 H new ATOM 0 HD13 LEU A 62 10.338 -6.701 -0.788 1.00 0.00 H new ATOM 0 HD21 LEU A 62 7.974 -7.011 -2.734 1.00 0.00 H new ATOM 0 HD22 LEU A 62 9.524 -7.865 -2.921 1.00 0.00 H new ATOM 0 HD23 LEU A 62 8.003 -8.786 -2.861 1.00 0.00 H new ATOM 993 N GLU A 63 9.240 -12.400 0.773 1.00 0.00 N ATOM 994 CA GLU A 63 9.988 -13.568 1.211 1.00 0.00 C ATOM 995 C GLU A 63 9.097 -14.808 1.228 1.00 0.00 C ATOM 996 O GLU A 63 9.583 -15.931 1.364 1.00 0.00 O ATOM 997 CB GLU A 63 10.575 -13.319 2.600 1.00 0.00 C ATOM 998 CG GLU A 63 11.928 -12.626 2.574 1.00 0.00 C ATOM 999 CD GLU A 63 11.883 -11.278 1.884 1.00 0.00 C ATOM 1000 OE1 GLU A 63 11.485 -10.289 2.536 1.00 0.00 O ATOM 1001 OE2 GLU A 63 12.248 -11.209 0.692 1.00 0.00 O ATOM 0 H GLU A 63 8.501 -12.111 1.414 1.00 0.00 H new ATOM 0 HA GLU A 63 10.801 -13.743 0.506 1.00 0.00 H new ATOM 0 HB2 GLU A 63 9.877 -12.713 3.177 1.00 0.00 H new ATOM 0 HB3 GLU A 63 10.674 -14.272 3.119 1.00 0.00 H new ATOM 0 HG2 GLU A 63 12.284 -12.494 3.596 1.00 0.00 H new ATOM 0 HG3 GLU A 63 12.649 -13.266 2.065 1.00 0.00 H new ATOM 1008 N ASP A 64 7.790 -14.594 1.098 1.00 0.00 N ATOM 1009 CA ASP A 64 6.826 -15.694 1.097 1.00 0.00 C ATOM 1010 C ASP A 64 7.085 -16.648 -0.060 1.00 0.00 C ATOM 1011 O ASP A 64 7.060 -17.869 0.104 1.00 0.00 O ATOM 1012 CB ASP A 64 5.397 -15.153 1.026 1.00 0.00 C ATOM 1013 CG ASP A 64 4.360 -16.213 1.342 1.00 0.00 C ATOM 1014 OD1 ASP A 64 4.718 -17.223 1.983 1.00 0.00 O ATOM 1015 OD2 ASP A 64 3.189 -16.032 0.949 1.00 0.00 O ATOM 0 H ASP A 64 7.373 -13.669 0.992 1.00 0.00 H new ATOM 0 HA ASP A 64 6.947 -16.247 2.028 1.00 0.00 H new ATOM 0 HB2 ASP A 64 5.290 -14.324 1.726 1.00 0.00 H new ATOM 0 HB3 ASP A 64 5.212 -14.754 0.029 1.00 0.00 H new ATOM 1020 N ASP A 65 7.317 -16.069 -1.226 1.00 0.00 N ATOM 1021 CA ASP A 65 7.593 -16.830 -2.445 1.00 0.00 C ATOM 1022 C ASP A 65 6.366 -17.621 -2.883 1.00 0.00 C ATOM 1023 O ASP A 65 6.477 -18.604 -3.616 1.00 0.00 O ATOM 1024 CB ASP A 65 8.780 -17.776 -2.239 1.00 0.00 C ATOM 1025 CG ASP A 65 10.076 -17.034 -1.983 1.00 0.00 C ATOM 1026 OD1 ASP A 65 10.640 -16.475 -2.947 1.00 0.00 O ATOM 1027 OD2 ASP A 65 10.530 -17.014 -0.820 1.00 0.00 O ATOM 0 H ASP A 65 7.321 -15.058 -1.360 1.00 0.00 H new ATOM 0 HA ASP A 65 7.846 -16.118 -3.231 1.00 0.00 H new ATOM 0 HB2 ASP A 65 8.572 -18.437 -1.398 1.00 0.00 H new ATOM 0 HB3 ASP A 65 8.895 -18.407 -3.120 1.00 0.00 H new ATOM 1032 N SER A 66 5.198 -17.177 -2.436 1.00 0.00 N ATOM 1033 CA SER A 66 3.947 -17.845 -2.774 1.00 0.00 C ATOM 1034 C SER A 66 3.381 -17.343 -4.102 1.00 0.00 C ATOM 1035 O SER A 66 2.210 -17.566 -4.409 1.00 0.00 O ATOM 1036 CB SER A 66 2.931 -17.636 -1.654 1.00 0.00 C ATOM 1037 OG SER A 66 3.277 -18.386 -0.504 1.00 0.00 O ATOM 0 H SER A 66 5.091 -16.357 -1.839 1.00 0.00 H new ATOM 0 HA SER A 66 4.152 -18.910 -2.885 1.00 0.00 H new ATOM 0 HB2 SER A 66 2.879 -16.577 -1.399 1.00 0.00 H new ATOM 0 HB3 SER A 66 1.940 -17.930 -1.999 1.00 0.00 H new ATOM 0 HG SER A 66 2.468 -18.586 0.012 1.00 0.00 H new ATOM 1043 N GLY A 67 4.216 -16.669 -4.887 1.00 0.00 N ATOM 1044 CA GLY A 67 3.776 -16.157 -6.175 1.00 0.00 C ATOM 1045 C GLY A 67 2.813 -14.990 -6.048 1.00 0.00 C ATOM 1046 O GLY A 67 3.233 -13.859 -5.825 1.00 0.00 O ATOM 0 H GLY A 67 5.189 -16.468 -4.656 1.00 0.00 H new ATOM 0 HA2 GLY A 67 4.646 -15.843 -6.752 1.00 0.00 H new ATOM 0 HA3 GLY A 67 3.295 -16.959 -6.734 1.00 0.00 H new ATOM 1050 N PHE A 68 1.520 -15.267 -6.198 1.00 0.00 N ATOM 1051 CA PHE A 68 0.488 -14.232 -6.100 1.00 0.00 C ATOM 1052 C PHE A 68 0.715 -13.357 -4.870 1.00 0.00 C ATOM 1053 O PHE A 68 0.561 -12.138 -4.921 1.00 0.00 O ATOM 1054 CB PHE A 68 -0.895 -14.883 -6.017 1.00 0.00 C ATOM 1055 CG PHE A 68 -2.019 -14.082 -6.629 1.00 0.00 C ATOM 1056 CD1 PHE A 68 -1.993 -12.689 -6.670 1.00 0.00 C ATOM 1057 CD2 PHE A 68 -3.120 -14.738 -7.157 1.00 0.00 C ATOM 1058 CE1 PHE A 68 -3.042 -11.983 -7.228 1.00 0.00 C ATOM 1059 CE2 PHE A 68 -4.168 -14.033 -7.716 1.00 0.00 C ATOM 1060 CZ PHE A 68 -4.129 -12.655 -7.750 1.00 0.00 C ATOM 0 H PHE A 68 1.159 -16.202 -6.389 1.00 0.00 H new ATOM 0 HA PHE A 68 0.544 -13.605 -6.990 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -0.852 -15.854 -6.510 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -1.130 -15.067 -4.969 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -1.146 -12.157 -6.262 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -3.159 -15.817 -7.131 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -3.011 -10.904 -7.256 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -5.017 -14.560 -8.126 1.00 0.00 H new ATOM 0 HZ PHE A 68 -4.948 -12.102 -8.185 1.00 0.00 H new ATOM 1070 N VAL A 69 1.087 -13.997 -3.766 1.00 0.00 N ATOM 1071 CA VAL A 69 1.334 -13.292 -2.514 1.00 0.00 C ATOM 1072 C VAL A 69 2.618 -12.468 -2.581 1.00 0.00 C ATOM 1073 O VAL A 69 2.617 -11.278 -2.262 1.00 0.00 O ATOM 1074 CB VAL A 69 1.426 -14.279 -1.335 1.00 0.00 C ATOM 1075 CG1 VAL A 69 1.447 -13.539 -0.009 1.00 0.00 C ATOM 1076 CG2 VAL A 69 0.277 -15.276 -1.379 1.00 0.00 C ATOM 0 H VAL A 69 1.224 -15.006 -3.714 1.00 0.00 H new ATOM 0 HA VAL A 69 0.492 -12.618 -2.356 1.00 0.00 H new ATOM 0 HB VAL A 69 2.361 -14.831 -1.427 1.00 0.00 H new ATOM 0 HG11 VAL A 69 1.512 -14.258 0.808 1.00 0.00 H new ATOM 0 HG12 VAL A 69 2.310 -12.874 0.023 1.00 0.00 H new ATOM 0 HG13 VAL A 69 0.534 -12.953 0.095 1.00 0.00 H new ATOM 0 HG21 VAL A 69 0.360 -15.964 -0.538 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -0.671 -14.742 -1.318 1.00 0.00 H new ATOM 0 HG23 VAL A 69 0.318 -15.837 -2.313 1.00 0.00 H new ATOM 1086 N ARG A 70 3.710 -13.105 -2.996 1.00 0.00 N ATOM 1087 CA ARG A 70 5.001 -12.428 -3.099 1.00 0.00 C ATOM 1088 C ARG A 70 4.948 -11.289 -4.113 1.00 0.00 C ATOM 1089 O ARG A 70 5.186 -10.130 -3.770 1.00 0.00 O ATOM 1090 CB ARG A 70 6.094 -13.423 -3.497 1.00 0.00 C ATOM 1091 CG ARG A 70 7.483 -12.807 -3.552 1.00 0.00 C ATOM 1092 CD ARG A 70 8.478 -13.738 -4.224 1.00 0.00 C ATOM 1093 NE ARG A 70 8.053 -14.106 -5.572 1.00 0.00 N ATOM 1094 CZ ARG A 70 8.673 -15.011 -6.322 1.00 0.00 C ATOM 1095 NH1 ARG A 70 9.742 -15.645 -5.858 1.00 0.00 N ATOM 1096 NH2 ARG A 70 8.224 -15.284 -7.539 1.00 0.00 N ATOM 0 H ARG A 70 3.727 -14.088 -3.266 1.00 0.00 H new ATOM 0 HA ARG A 70 5.235 -12.008 -2.121 1.00 0.00 H new ATOM 0 HB2 ARG A 70 6.099 -14.249 -2.786 1.00 0.00 H new ATOM 0 HB3 ARG A 70 5.853 -13.844 -4.473 1.00 0.00 H new ATOM 0 HG2 ARG A 70 7.442 -11.863 -4.095 1.00 0.00 H new ATOM 0 HG3 ARG A 70 7.822 -12.579 -2.541 1.00 0.00 H new ATOM 0 HD2 ARG A 70 9.454 -13.255 -4.270 1.00 0.00 H new ATOM 0 HD3 ARG A 70 8.597 -14.639 -3.622 1.00 0.00 H new ATOM 0 HE ARG A 70 7.232 -13.641 -5.960 1.00 0.00 H new ATOM 0 HH11 ARG A 70 10.091 -15.439 -4.922 1.00 0.00 H new ATOM 0 HH12 ARG A 70 10.215 -16.339 -6.437 1.00 0.00 H new ATOM 0 HH21 ARG A 70 7.402 -14.799 -7.900 1.00 0.00 H new ATOM 0 HH22 ARG A 70 8.700 -15.979 -8.114 1.00 0.00 H new ATOM 1110 N SER A 71 4.650 -11.630 -5.363 1.00 0.00 N ATOM 1111 CA SER A 71 4.564 -10.643 -6.435 1.00 0.00 C ATOM 1112 C SER A 71 3.603 -9.518 -6.066 1.00 0.00 C ATOM 1113 O SER A 71 3.810 -8.365 -6.444 1.00 0.00 O ATOM 1114 CB SER A 71 4.111 -11.309 -7.736 1.00 0.00 C ATOM 1115 OG SER A 71 2.819 -11.874 -7.600 1.00 0.00 O ATOM 0 H SER A 71 4.463 -12.588 -5.660 1.00 0.00 H new ATOM 0 HA SER A 71 5.556 -10.216 -6.579 1.00 0.00 H new ATOM 0 HB2 SER A 71 4.106 -10.574 -8.541 1.00 0.00 H new ATOM 0 HB3 SER A 71 4.823 -12.085 -8.017 1.00 0.00 H new ATOM 0 HG SER A 71 2.857 -12.630 -6.978 1.00 0.00 H new ATOM 1121 N GLY A 72 2.549 -9.861 -5.329 1.00 0.00 N ATOM 1122 CA GLY A 72 1.578 -8.864 -4.918 1.00 0.00 C ATOM 1123 C GLY A 72 2.216 -7.740 -4.131 1.00 0.00 C ATOM 1124 O GLY A 72 1.713 -6.616 -4.112 1.00 0.00 O ATOM 0 H GLY A 72 2.351 -10.810 -5.010 1.00 0.00 H new ATOM 0 HA2 GLY A 72 1.084 -8.454 -5.799 1.00 0.00 H new ATOM 0 HA3 GLY A 72 0.806 -9.338 -4.312 1.00 0.00 H new ATOM 1128 N ALA A 73 3.326 -8.052 -3.477 1.00 0.00 N ATOM 1129 CA ALA A 73 4.054 -7.073 -2.686 1.00 0.00 C ATOM 1130 C ALA A 73 5.065 -6.326 -3.544 1.00 0.00 C ATOM 1131 O ALA A 73 5.244 -5.118 -3.398 1.00 0.00 O ATOM 1132 CB ALA A 73 4.759 -7.758 -1.530 1.00 0.00 C ATOM 0 H ALA A 73 3.743 -8.983 -3.480 1.00 0.00 H new ATOM 0 HA ALA A 73 3.339 -6.351 -2.292 1.00 0.00 H new ATOM 0 HB1 ALA A 73 5.301 -7.016 -0.944 1.00 0.00 H new ATOM 0 HB2 ALA A 73 4.023 -8.253 -0.897 1.00 0.00 H new ATOM 0 HB3 ALA A 73 5.460 -8.497 -1.918 1.00 0.00 H new ATOM 1138 N ALA A 74 5.722 -7.056 -4.440 1.00 0.00 N ATOM 1139 CA ALA A 74 6.720 -6.469 -5.325 1.00 0.00 C ATOM 1140 C ALA A 74 6.152 -5.266 -6.072 1.00 0.00 C ATOM 1141 O ALA A 74 6.860 -4.294 -6.332 1.00 0.00 O ATOM 1142 CB ALA A 74 7.229 -7.510 -6.309 1.00 0.00 C ATOM 0 H ALA A 74 5.580 -8.057 -4.572 1.00 0.00 H new ATOM 0 HA ALA A 74 7.554 -6.124 -4.714 1.00 0.00 H new ATOM 0 HB1 ALA A 74 7.974 -7.058 -6.964 1.00 0.00 H new ATOM 0 HB2 ALA A 74 7.681 -8.337 -5.762 1.00 0.00 H new ATOM 0 HB3 ALA A 74 6.398 -7.882 -6.908 1.00 0.00 H new ATOM 1148 N ARG A 75 4.869 -5.341 -6.413 1.00 0.00 N ATOM 1149 CA ARG A 75 4.203 -4.258 -7.129 1.00 0.00 C ATOM 1150 C ARG A 75 3.791 -3.143 -6.171 1.00 0.00 C ATOM 1151 O ARG A 75 3.629 -1.992 -6.577 1.00 0.00 O ATOM 1152 CB ARG A 75 2.973 -4.789 -7.871 1.00 0.00 C ATOM 1153 CG ARG A 75 1.893 -5.337 -6.950 1.00 0.00 C ATOM 1154 CD ARG A 75 0.637 -5.720 -7.717 1.00 0.00 C ATOM 1155 NE ARG A 75 0.292 -4.729 -8.735 1.00 0.00 N ATOM 1156 CZ ARG A 75 0.487 -4.908 -10.039 1.00 0.00 C ATOM 1157 NH1 ARG A 75 1.034 -6.031 -10.484 1.00 0.00 N ATOM 1158 NH2 ARG A 75 0.137 -3.961 -10.900 1.00 0.00 N ATOM 0 H ARG A 75 4.270 -6.140 -6.205 1.00 0.00 H new ATOM 0 HA ARG A 75 4.907 -3.848 -7.853 1.00 0.00 H new ATOM 0 HB2 ARG A 75 2.550 -3.987 -8.476 1.00 0.00 H new ATOM 0 HB3 ARG A 75 3.285 -5.575 -8.558 1.00 0.00 H new ATOM 0 HG2 ARG A 75 2.276 -6.209 -6.420 1.00 0.00 H new ATOM 0 HG3 ARG A 75 1.645 -4.590 -6.196 1.00 0.00 H new ATOM 0 HD2 ARG A 75 0.784 -6.690 -8.191 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -0.194 -5.828 -7.020 1.00 0.00 H new ATOM 0 HE ARG A 75 -0.122 -3.849 -8.428 1.00 0.00 H new ATOM 0 HH11 ARG A 75 1.307 -6.761 -9.826 1.00 0.00 H new ATOM 0 HH12 ARG A 75 1.182 -6.165 -11.484 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -0.282 -3.094 -10.563 1.00 0.00 H new ATOM 0 HH22 ARG A 75 0.287 -4.100 -11.899 1.00 0.00 H new ATOM 1172 N SER A 76 3.625 -3.493 -4.899 1.00 0.00 N ATOM 1173 CA SER A 76 3.228 -2.525 -3.881 1.00 0.00 C ATOM 1174 C SER A 76 4.325 -1.492 -3.641 1.00 0.00 C ATOM 1175 O SER A 76 4.038 -0.310 -3.448 1.00 0.00 O ATOM 1176 CB SER A 76 2.885 -3.237 -2.576 1.00 0.00 C ATOM 1177 OG SER A 76 1.743 -4.064 -2.729 1.00 0.00 O ATOM 0 H SER A 76 3.759 -4.441 -4.548 1.00 0.00 H new ATOM 0 HA SER A 76 2.344 -2.002 -4.245 1.00 0.00 H new ATOM 0 HB2 SER A 76 3.734 -3.840 -2.254 1.00 0.00 H new ATOM 0 HB3 SER A 76 2.702 -2.500 -1.794 1.00 0.00 H new ATOM 0 HG SER A 76 1.987 -4.868 -3.233 1.00 0.00 H new ATOM 1183 N LEU A 77 5.578 -1.939 -3.650 1.00 0.00 N ATOM 1184 CA LEU A 77 6.708 -1.041 -3.447 1.00 0.00 C ATOM 1185 C LEU A 77 6.671 0.103 -4.455 1.00 0.00 C ATOM 1186 O LEU A 77 6.652 1.274 -4.079 1.00 0.00 O ATOM 1187 CB LEU A 77 8.025 -1.809 -3.594 1.00 0.00 C ATOM 1188 CG LEU A 77 8.460 -2.633 -2.377 1.00 0.00 C ATOM 1189 CD1 LEU A 77 8.779 -1.726 -1.200 1.00 0.00 C ATOM 1190 CD2 LEU A 77 7.394 -3.648 -1.996 1.00 0.00 C ATOM 0 H LEU A 77 5.835 -2.915 -3.795 1.00 0.00 H new ATOM 0 HA LEU A 77 6.640 -0.628 -2.440 1.00 0.00 H new ATOM 0 HB2 LEU A 77 7.939 -2.479 -4.450 1.00 0.00 H new ATOM 0 HB3 LEU A 77 8.815 -1.095 -3.826 1.00 0.00 H new ATOM 0 HG LEU A 77 9.365 -3.178 -2.647 1.00 0.00 H new ATOM 0 HD11 LEU A 77 9.086 -2.331 -0.347 1.00 0.00 H new ATOM 0 HD12 LEU A 77 9.587 -1.047 -1.472 1.00 0.00 H new ATOM 0 HD13 LEU A 77 7.893 -1.148 -0.935 1.00 0.00 H new ATOM 0 HD21 LEU A 77 7.728 -4.219 -1.130 1.00 0.00 H new ATOM 0 HD22 LEU A 77 6.467 -3.128 -1.752 1.00 0.00 H new ATOM 0 HD23 LEU A 77 7.221 -4.325 -2.832 1.00 0.00 H new ATOM 1202 N GLU A 78 6.660 -0.248 -5.736 1.00 0.00 N ATOM 1203 CA GLU A 78 6.620 0.745 -6.804 1.00 0.00 C ATOM 1204 C GLU A 78 5.325 1.550 -6.766 1.00 0.00 C ATOM 1205 O GLU A 78 5.317 2.741 -7.078 1.00 0.00 O ATOM 1206 CB GLU A 78 6.765 0.064 -8.167 1.00 0.00 C ATOM 1207 CG GLU A 78 8.066 -0.705 -8.329 1.00 0.00 C ATOM 1208 CD GLU A 78 8.216 -1.309 -9.711 1.00 0.00 C ATOM 1209 OE1 GLU A 78 7.761 -2.454 -9.912 1.00 0.00 O ATOM 1210 OE2 GLU A 78 8.790 -0.637 -10.594 1.00 0.00 O ATOM 0 H GLU A 78 6.678 -1.215 -6.061 1.00 0.00 H new ATOM 0 HA GLU A 78 7.453 1.431 -6.651 1.00 0.00 H new ATOM 0 HB2 GLU A 78 5.928 -0.619 -8.313 1.00 0.00 H new ATOM 0 HB3 GLU A 78 6.700 0.820 -8.950 1.00 0.00 H new ATOM 0 HG2 GLU A 78 8.905 -0.037 -8.135 1.00 0.00 H new ATOM 0 HG3 GLU A 78 8.111 -1.498 -7.583 1.00 0.00 H new ATOM 1217 N GLN A 79 4.231 0.896 -6.383 1.00 0.00 N ATOM 1218 CA GLN A 79 2.930 1.555 -6.312 1.00 0.00 C ATOM 1219 C GLN A 79 2.979 2.779 -5.403 1.00 0.00 C ATOM 1220 O GLN A 79 2.454 3.839 -5.747 1.00 0.00 O ATOM 1221 CB GLN A 79 1.859 0.577 -5.823 1.00 0.00 C ATOM 1222 CG GLN A 79 0.860 0.188 -6.903 1.00 0.00 C ATOM 1223 CD GLN A 79 -0.021 -0.980 -6.499 1.00 0.00 C ATOM 1224 OE1 GLN A 79 -1.186 -1.056 -6.889 1.00 0.00 O ATOM 1225 NE2 GLN A 79 0.536 -1.904 -5.726 1.00 0.00 N ATOM 0 H GLN A 79 4.220 -0.089 -6.117 1.00 0.00 H new ATOM 0 HA GLN A 79 2.671 1.889 -7.317 1.00 0.00 H new ATOM 0 HB2 GLN A 79 2.344 -0.323 -5.446 1.00 0.00 H new ATOM 0 HB3 GLN A 79 1.323 1.025 -4.986 1.00 0.00 H new ATOM 0 HG2 GLN A 79 0.231 1.047 -7.136 1.00 0.00 H new ATOM 0 HG3 GLN A 79 1.400 -0.069 -7.815 1.00 0.00 H new ATOM 0 HE21 GLN A 79 1.505 -1.801 -5.426 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -0.005 -2.717 -5.432 1.00 0.00 H new ATOM 1234 N ILE A 80 3.612 2.630 -4.245 1.00 0.00 N ATOM 1235 CA ILE A 80 3.731 3.732 -3.296 1.00 0.00 C ATOM 1236 C ILE A 80 4.823 4.703 -3.730 1.00 0.00 C ATOM 1237 O ILE A 80 4.563 5.885 -3.958 1.00 0.00 O ATOM 1238 CB ILE A 80 4.035 3.221 -1.873 1.00 0.00 C ATOM 1239 CG1 ILE A 80 2.900 2.320 -1.382 1.00 0.00 C ATOM 1240 CG2 ILE A 80 4.239 4.393 -0.921 1.00 0.00 C ATOM 1241 CD1 ILE A 80 3.204 1.609 -0.080 1.00 0.00 C ATOM 0 H ILE A 80 4.050 1.760 -3.941 1.00 0.00 H new ATOM 0 HA ILE A 80 2.772 4.250 -3.282 1.00 0.00 H new ATOM 0 HB ILE A 80 4.955 2.636 -1.899 1.00 0.00 H new ATOM 0 HG12 ILE A 80 2.000 2.922 -1.255 1.00 0.00 H new ATOM 0 HG13 ILE A 80 2.681 1.577 -2.149 1.00 0.00 H new ATOM 0 HG21 ILE A 80 4.453 4.016 0.079 1.00 0.00 H new ATOM 0 HG22 ILE A 80 5.075 5.001 -1.266 1.00 0.00 H new ATOM 0 HG23 ILE A 80 3.335 5.002 -0.894 1.00 0.00 H new ATOM 0 HD11 ILE A 80 2.353 0.990 0.204 1.00 0.00 H new ATOM 0 HD12 ILE A 80 4.085 0.980 -0.206 1.00 0.00 H new ATOM 0 HD13 ILE A 80 3.393 2.345 0.701 1.00 0.00 H new ATOM 1253 N GLY A 81 6.047 4.196 -3.841 1.00 0.00 N ATOM 1254 CA GLY A 81 7.164 5.028 -4.251 1.00 0.00 C ATOM 1255 C GLY A 81 7.489 6.107 -3.238 1.00 0.00 C ATOM 1256 O GLY A 81 6.854 7.162 -3.217 1.00 0.00 O ATOM 0 H GLY A 81 6.286 3.222 -3.654 1.00 0.00 H new ATOM 0 HA2 GLY A 81 8.043 4.401 -4.403 1.00 0.00 H new ATOM 0 HA3 GLY A 81 6.934 5.492 -5.210 1.00 0.00 H new ATOM 1260 N GLY A 82 8.483 5.842 -2.395 1.00 0.00 N ATOM 1261 CA GLY A 82 8.877 6.807 -1.386 1.00 0.00 C ATOM 1262 C GLY A 82 9.855 6.230 -0.383 1.00 0.00 C ATOM 1263 O GLY A 82 10.265 5.075 -0.500 1.00 0.00 O ATOM 0 H GLY A 82 9.022 4.976 -2.393 1.00 0.00 H new ATOM 0 HA2 GLY A 82 9.328 7.672 -1.872 1.00 0.00 H new ATOM 0 HA3 GLY A 82 7.990 7.162 -0.861 1.00 0.00 H new ATOM 1267 N GLU A 83 10.227 7.035 0.607 1.00 0.00 N ATOM 1268 CA GLU A 83 11.163 6.596 1.635 1.00 0.00 C ATOM 1269 C GLU A 83 10.533 5.535 2.529 1.00 0.00 C ATOM 1270 O GLU A 83 11.227 4.658 3.045 1.00 0.00 O ATOM 1271 CB GLU A 83 11.628 7.783 2.481 1.00 0.00 C ATOM 1272 CG GLU A 83 12.523 8.756 1.729 1.00 0.00 C ATOM 1273 CD GLU A 83 11.775 9.544 0.671 1.00 0.00 C ATOM 1274 OE1 GLU A 83 11.238 10.622 1.003 1.00 0.00 O ATOM 1275 OE2 GLU A 83 11.725 9.084 -0.490 1.00 0.00 O ATOM 0 H GLU A 83 9.895 7.993 0.719 1.00 0.00 H new ATOM 0 HA GLU A 83 12.027 6.158 1.135 1.00 0.00 H new ATOM 0 HB2 GLU A 83 10.754 8.319 2.851 1.00 0.00 H new ATOM 0 HB3 GLU A 83 12.165 7.409 3.353 1.00 0.00 H new ATOM 0 HG2 GLU A 83 12.976 9.448 2.438 1.00 0.00 H new ATOM 0 HG3 GLU A 83 13.336 8.204 1.258 1.00 0.00 H new ATOM 1282 N ARG A 84 9.217 5.617 2.711 1.00 0.00 N ATOM 1283 CA ARG A 84 8.507 4.652 3.542 1.00 0.00 C ATOM 1284 C ARG A 84 8.690 3.239 2.993 1.00 0.00 C ATOM 1285 O ARG A 84 9.099 2.330 3.715 1.00 0.00 O ATOM 1286 CB ARG A 84 7.012 5.013 3.656 1.00 0.00 C ATOM 1287 CG ARG A 84 6.207 4.852 2.367 1.00 0.00 C ATOM 1288 CD ARG A 84 6.585 5.892 1.326 1.00 0.00 C ATOM 1289 NE ARG A 84 6.331 7.252 1.794 1.00 0.00 N ATOM 1290 CZ ARG A 84 6.044 8.269 0.986 1.00 0.00 C ATOM 1291 NH1 ARG A 84 5.969 8.078 -0.325 1.00 0.00 N ATOM 1292 NH2 ARG A 84 5.829 9.476 1.487 1.00 0.00 N ATOM 0 H ARG A 84 8.625 6.337 2.297 1.00 0.00 H new ATOM 0 HA ARG A 84 8.932 4.687 4.545 1.00 0.00 H new ATOM 0 HB2 ARG A 84 6.561 4.389 4.428 1.00 0.00 H new ATOM 0 HB3 ARG A 84 6.928 6.047 3.992 1.00 0.00 H new ATOM 0 HG2 ARG A 84 6.371 3.855 1.959 1.00 0.00 H new ATOM 0 HG3 ARG A 84 5.143 4.933 2.591 1.00 0.00 H new ATOM 0 HD2 ARG A 84 7.640 5.786 1.075 1.00 0.00 H new ATOM 0 HD3 ARG A 84 6.020 5.712 0.412 1.00 0.00 H new ATOM 0 HE ARG A 84 6.376 7.432 2.797 1.00 0.00 H new ATOM 0 HH11 ARG A 84 6.132 7.150 -0.715 1.00 0.00 H new ATOM 0 HH12 ARG A 84 5.749 8.859 -0.942 1.00 0.00 H new ATOM 0 HH21 ARG A 84 5.883 9.627 2.494 1.00 0.00 H new ATOM 0 HH22 ARG A 84 5.609 10.254 0.866 1.00 0.00 H new ATOM 1306 N VAL A 85 8.383 3.065 1.713 1.00 0.00 N ATOM 1307 CA VAL A 85 8.525 1.770 1.057 1.00 0.00 C ATOM 1308 C VAL A 85 9.994 1.406 0.863 1.00 0.00 C ATOM 1309 O VAL A 85 10.343 0.231 0.751 1.00 0.00 O ATOM 1310 CB VAL A 85 7.815 1.735 -0.314 1.00 0.00 C ATOM 1311 CG1 VAL A 85 6.544 0.908 -0.236 1.00 0.00 C ATOM 1312 CG2 VAL A 85 7.507 3.142 -0.806 1.00 0.00 C ATOM 0 H VAL A 85 8.033 3.807 1.107 1.00 0.00 H new ATOM 0 HA VAL A 85 8.053 1.041 1.715 1.00 0.00 H new ATOM 0 HB VAL A 85 8.490 1.267 -1.031 1.00 0.00 H new ATOM 0 HG11 VAL A 85 6.058 0.895 -1.211 1.00 0.00 H new ATOM 0 HG12 VAL A 85 6.791 -0.112 0.060 1.00 0.00 H new ATOM 0 HG13 VAL A 85 5.870 1.346 0.500 1.00 0.00 H new ATOM 0 HG21 VAL A 85 7.007 3.088 -1.773 1.00 0.00 H new ATOM 0 HG22 VAL A 85 6.857 3.644 -0.089 1.00 0.00 H new ATOM 0 HG23 VAL A 85 8.436 3.703 -0.908 1.00 0.00 H new ATOM 1322 N ARG A 86 10.851 2.424 0.826 1.00 0.00 N ATOM 1323 CA ARG A 86 12.283 2.214 0.629 1.00 0.00 C ATOM 1324 C ARG A 86 12.871 1.323 1.720 1.00 0.00 C ATOM 1325 O ARG A 86 13.734 0.489 1.453 1.00 0.00 O ATOM 1326 CB ARG A 86 13.021 3.555 0.592 1.00 0.00 C ATOM 1327 CG ARG A 86 14.525 3.416 0.412 1.00 0.00 C ATOM 1328 CD ARG A 86 15.175 4.747 0.070 1.00 0.00 C ATOM 1329 NE ARG A 86 16.624 4.627 -0.077 1.00 0.00 N ATOM 1330 CZ ARG A 86 17.293 5.021 -1.157 1.00 0.00 C ATOM 1331 NH1 ARG A 86 16.647 5.558 -2.183 1.00 0.00 N ATOM 1332 NH2 ARG A 86 18.611 4.878 -1.210 1.00 0.00 N ATOM 0 H ARG A 86 10.579 3.402 0.930 1.00 0.00 H new ATOM 0 HA ARG A 86 12.414 1.709 -0.328 1.00 0.00 H new ATOM 0 HB2 ARG A 86 12.620 4.159 -0.222 1.00 0.00 H new ATOM 0 HB3 ARG A 86 12.822 4.095 1.517 1.00 0.00 H new ATOM 0 HG2 ARG A 86 14.966 3.020 1.327 1.00 0.00 H new ATOM 0 HG3 ARG A 86 14.732 2.696 -0.380 1.00 0.00 H new ATOM 0 HD2 ARG A 86 14.747 5.132 -0.856 1.00 0.00 H new ATOM 0 HD3 ARG A 86 14.949 5.472 0.852 1.00 0.00 H new ATOM 0 HE ARG A 86 17.153 4.217 0.693 1.00 0.00 H new ATOM 0 HH11 ARG A 86 15.634 5.670 -2.146 1.00 0.00 H new ATOM 0 HH12 ARG A 86 17.163 5.859 -3.010 1.00 0.00 H new ATOM 0 HH21 ARG A 86 19.111 4.466 -0.422 1.00 0.00 H new ATOM 0 HH22 ARG A 86 19.124 5.180 -2.038 1.00 0.00 H new ATOM 1346 N ALA A 87 12.397 1.502 2.947 1.00 0.00 N ATOM 1347 CA ALA A 87 12.879 0.718 4.074 1.00 0.00 C ATOM 1348 C ALA A 87 12.328 -0.699 4.020 1.00 0.00 C ATOM 1349 O ALA A 87 12.904 -1.624 4.596 1.00 0.00 O ATOM 1350 CB ALA A 87 12.497 1.388 5.385 1.00 0.00 C ATOM 0 H ALA A 87 11.678 2.185 3.186 1.00 0.00 H new ATOM 0 HA ALA A 87 13.966 0.663 4.014 1.00 0.00 H new ATOM 0 HB1 ALA A 87 12.864 0.790 6.219 1.00 0.00 H new ATOM 0 HB2 ALA A 87 12.941 2.383 5.428 1.00 0.00 H new ATOM 0 HB3 ALA A 87 11.412 1.472 5.448 1.00 0.00 H new ATOM 1356 N ALA A 88 11.208 -0.865 3.323 1.00 0.00 N ATOM 1357 CA ALA A 88 10.580 -2.168 3.190 1.00 0.00 C ATOM 1358 C ALA A 88 11.411 -3.054 2.281 1.00 0.00 C ATOM 1359 O ALA A 88 11.679 -4.214 2.595 1.00 0.00 O ATOM 1360 CB ALA A 88 9.166 -2.024 2.650 1.00 0.00 C ATOM 0 H ALA A 88 10.719 -0.110 2.842 1.00 0.00 H new ATOM 0 HA ALA A 88 10.523 -2.633 4.174 1.00 0.00 H new ATOM 0 HB1 ALA A 88 8.710 -3.010 2.557 1.00 0.00 H new ATOM 0 HB2 ALA A 88 8.576 -1.414 3.334 1.00 0.00 H new ATOM 0 HB3 ALA A 88 9.197 -1.544 1.672 1.00 0.00 H new ATOM 1366 N MET A 89 11.817 -2.494 1.145 1.00 0.00 N ATOM 1367 CA MET A 89 12.624 -3.226 0.187 1.00 0.00 C ATOM 1368 C MET A 89 14.043 -3.410 0.711 1.00 0.00 C ATOM 1369 O MET A 89 14.687 -4.416 0.422 1.00 0.00 O ATOM 1370 CB MET A 89 12.629 -2.515 -1.172 1.00 0.00 C ATOM 1371 CG MET A 89 13.404 -1.206 -1.210 1.00 0.00 C ATOM 1372 SD MET A 89 15.194 -1.430 -1.233 1.00 0.00 S ATOM 1373 CE MET A 89 15.738 0.275 -1.225 1.00 0.00 C ATOM 0 H MET A 89 11.598 -1.536 0.870 1.00 0.00 H new ATOM 0 HA MET A 89 12.183 -4.213 0.049 1.00 0.00 H new ATOM 0 HB2 MET A 89 13.049 -3.190 -1.917 1.00 0.00 H new ATOM 0 HB3 MET A 89 11.598 -2.318 -1.466 1.00 0.00 H new ATOM 0 HG2 MET A 89 13.105 -0.641 -2.093 1.00 0.00 H new ATOM 0 HG3 MET A 89 13.132 -0.606 -0.341 1.00 0.00 H new ATOM 0 HE1 MET A 89 16.819 0.313 -1.363 1.00 0.00 H new ATOM 0 HE2 MET A 89 15.250 0.817 -2.035 1.00 0.00 H new ATOM 0 HE3 MET A 89 15.477 0.736 -0.272 1.00 0.00 H new ATOM 1383 N GLU A 90 14.528 -2.432 1.477 1.00 0.00 N ATOM 1384 CA GLU A 90 15.868 -2.516 2.046 1.00 0.00 C ATOM 1385 C GLU A 90 15.976 -3.752 2.923 1.00 0.00 C ATOM 1386 O GLU A 90 16.985 -4.458 2.902 1.00 0.00 O ATOM 1387 CB GLU A 90 16.203 -1.264 2.861 1.00 0.00 C ATOM 1388 CG GLU A 90 16.696 -0.102 2.014 1.00 0.00 C ATOM 1389 CD GLU A 90 17.253 1.034 2.849 1.00 0.00 C ATOM 1390 OE1 GLU A 90 16.450 1.797 3.426 1.00 0.00 O ATOM 1391 OE2 GLU A 90 18.494 1.160 2.926 1.00 0.00 O ATOM 0 H GLU A 90 14.017 -1.582 1.714 1.00 0.00 H new ATOM 0 HA GLU A 90 16.584 -2.586 1.227 1.00 0.00 H new ATOM 0 HB2 GLU A 90 15.316 -0.951 3.412 1.00 0.00 H new ATOM 0 HB3 GLU A 90 16.965 -1.514 3.599 1.00 0.00 H new ATOM 0 HG2 GLU A 90 17.467 -0.457 1.330 1.00 0.00 H new ATOM 0 HG3 GLU A 90 15.875 0.271 1.402 1.00 0.00 H new ATOM 1398 N LYS A 91 14.926 -4.006 3.696 1.00 0.00 N ATOM 1399 CA LYS A 91 14.888 -5.173 4.564 1.00 0.00 C ATOM 1400 C LYS A 91 14.902 -6.440 3.719 1.00 0.00 C ATOM 1401 O LYS A 91 15.297 -7.508 4.185 1.00 0.00 O ATOM 1402 CB LYS A 91 13.643 -5.135 5.449 1.00 0.00 C ATOM 1403 CG LYS A 91 13.625 -6.201 6.531 1.00 0.00 C ATOM 1404 CD LYS A 91 12.836 -7.422 6.096 1.00 0.00 C ATOM 1405 CE LYS A 91 12.807 -8.480 7.185 1.00 0.00 C ATOM 1406 NZ LYS A 91 14.151 -9.079 7.413 1.00 0.00 N ATOM 0 H LYS A 91 14.092 -3.420 3.738 1.00 0.00 H new ATOM 0 HA LYS A 91 15.767 -5.167 5.209 1.00 0.00 H new ATOM 0 HB2 LYS A 91 13.572 -4.154 5.918 1.00 0.00 H new ATOM 0 HB3 LYS A 91 12.759 -5.253 4.822 1.00 0.00 H new ATOM 0 HG2 LYS A 91 14.647 -6.494 6.772 1.00 0.00 H new ATOM 0 HG3 LYS A 91 13.188 -5.790 7.441 1.00 0.00 H new ATOM 0 HD2 LYS A 91 11.817 -7.128 5.845 1.00 0.00 H new ATOM 0 HD3 LYS A 91 13.279 -7.840 5.192 1.00 0.00 H new ATOM 0 HE2 LYS A 91 12.445 -8.036 8.113 1.00 0.00 H new ATOM 0 HE3 LYS A 91 12.102 -9.264 6.910 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 14.063 -9.897 8.050 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 14.552 -9.389 6.505 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 14.778 -8.370 7.844 1.00 0.00 H new ATOM 1420 N LEU A 92 14.462 -6.308 2.470 1.00 0.00 N ATOM 1421 CA LEU A 92 14.435 -7.428 1.548 1.00 0.00 C ATOM 1422 C LEU A 92 15.779 -7.547 0.837 1.00 0.00 C ATOM 1423 O LEU A 92 16.192 -8.634 0.447 1.00 0.00 O ATOM 1424 CB LEU A 92 13.292 -7.242 0.541 1.00 0.00 C ATOM 1425 CG LEU A 92 13.614 -7.594 -0.911 1.00 0.00 C ATOM 1426 CD1 LEU A 92 13.700 -9.103 -1.094 1.00 0.00 C ATOM 1427 CD2 LEU A 92 12.568 -7.002 -1.842 1.00 0.00 C ATOM 0 H LEU A 92 14.119 -5.431 2.077 1.00 0.00 H new ATOM 0 HA LEU A 92 14.259 -8.352 2.100 1.00 0.00 H new ATOM 0 HB2 LEU A 92 12.448 -7.852 0.863 1.00 0.00 H new ATOM 0 HB3 LEU A 92 12.967 -6.202 0.578 1.00 0.00 H new ATOM 0 HG LEU A 92 14.585 -7.166 -1.162 1.00 0.00 H new ATOM 0 HD11 LEU A 92 13.930 -9.331 -2.135 1.00 0.00 H new ATOM 0 HD12 LEU A 92 14.485 -9.503 -0.453 1.00 0.00 H new ATOM 0 HD13 LEU A 92 12.746 -9.557 -0.826 1.00 0.00 H new ATOM 0 HD21 LEU A 92 12.810 -7.261 -2.873 1.00 0.00 H new ATOM 0 HD22 LEU A 92 11.587 -7.403 -1.588 1.00 0.00 H new ATOM 0 HD23 LEU A 92 12.556 -5.917 -1.733 1.00 0.00 H new ATOM 1439 N ALA A 93 16.463 -6.416 0.686 1.00 0.00 N ATOM 1440 CA ALA A 93 17.758 -6.386 0.019 1.00 0.00 C ATOM 1441 C ALA A 93 18.793 -7.206 0.781 1.00 0.00 C ATOM 1442 O ALA A 93 19.707 -7.775 0.184 1.00 0.00 O ATOM 1443 CB ALA A 93 18.233 -4.949 -0.142 1.00 0.00 C ATOM 0 H ALA A 93 16.140 -5.507 1.018 1.00 0.00 H new ATOM 0 HA ALA A 93 17.640 -6.833 -0.968 1.00 0.00 H new ATOM 0 HB1 ALA A 93 19.202 -4.940 -0.642 1.00 0.00 H new ATOM 0 HB2 ALA A 93 17.511 -4.392 -0.739 1.00 0.00 H new ATOM 0 HB3 ALA A 93 18.327 -4.485 0.840 1.00 0.00 H new ATOM 1449 N GLU A 94 18.647 -7.265 2.102 1.00 0.00 N ATOM 1450 CA GLU A 94 19.573 -8.025 2.935 1.00 0.00 C ATOM 1451 C GLU A 94 19.225 -9.507 2.898 1.00 0.00 C ATOM 1452 O GLU A 94 20.048 -10.360 3.234 1.00 0.00 O ATOM 1453 CB GLU A 94 19.554 -7.510 4.377 1.00 0.00 C ATOM 1454 CG GLU A 94 18.190 -7.586 5.039 1.00 0.00 C ATOM 1455 CD GLU A 94 18.218 -7.127 6.483 1.00 0.00 C ATOM 1456 OE1 GLU A 94 18.770 -7.863 7.329 1.00 0.00 O ATOM 1457 OE2 GLU A 94 17.688 -6.033 6.769 1.00 0.00 O ATOM 0 H GLU A 94 17.900 -6.798 2.616 1.00 0.00 H new ATOM 0 HA GLU A 94 20.579 -7.892 2.537 1.00 0.00 H new ATOM 0 HB2 GLU A 94 20.266 -8.086 4.968 1.00 0.00 H new ATOM 0 HB3 GLU A 94 19.895 -6.475 4.387 1.00 0.00 H new ATOM 0 HG2 GLU A 94 17.484 -6.972 4.480 1.00 0.00 H new ATOM 0 HG3 GLU A 94 17.825 -8.612 4.995 1.00 0.00 H new ATOM 1464 N THR A 95 17.998 -9.805 2.484 1.00 0.00 N ATOM 1465 CA THR A 95 17.533 -11.179 2.377 1.00 0.00 C ATOM 1466 C THR A 95 17.051 -11.431 0.959 1.00 0.00 C ATOM 1467 O THR A 95 16.218 -12.304 0.709 1.00 0.00 O ATOM 1468 CB THR A 95 16.391 -11.473 3.366 1.00 0.00 C ATOM 1469 OG1 THR A 95 15.319 -10.545 3.170 1.00 0.00 O ATOM 1470 CG2 THR A 95 16.885 -11.388 4.804 1.00 0.00 C ATOM 0 H THR A 95 17.305 -9.106 2.216 1.00 0.00 H new ATOM 0 HA THR A 95 18.365 -11.840 2.622 1.00 0.00 H new ATOM 0 HB THR A 95 16.032 -12.485 3.180 1.00 0.00 H new ATOM 0 HG1 THR A 95 15.554 -9.684 3.574 1.00 0.00 H new ATOM 0 HG21 THR A 95 16.061 -11.599 5.485 1.00 0.00 H new ATOM 0 HG22 THR A 95 17.680 -12.117 4.959 1.00 0.00 H new ATOM 0 HG23 THR A 95 17.268 -10.386 4.998 1.00 0.00 H new ATOM 1478 N GLY A 96 17.599 -10.651 0.032 1.00 0.00 N ATOM 1479 CA GLY A 96 17.222 -10.754 -1.357 1.00 0.00 C ATOM 1480 C GLY A 96 17.613 -12.069 -1.987 1.00 0.00 C ATOM 1481 O GLY A 96 18.770 -12.485 -1.925 1.00 0.00 O ATOM 0 H GLY A 96 18.306 -9.942 0.227 1.00 0.00 H new ATOM 0 HA2 GLY A 96 16.143 -10.624 -1.444 1.00 0.00 H new ATOM 0 HA3 GLY A 96 17.687 -9.940 -1.914 1.00 0.00 H new ATOM 1485 N THR A 97 16.634 -12.718 -2.591 1.00 0.00 N ATOM 1486 CA THR A 97 16.850 -13.994 -3.261 1.00 0.00 C ATOM 1487 C THR A 97 16.029 -14.088 -4.543 1.00 0.00 C ATOM 1488 O THR A 97 14.834 -13.791 -4.551 1.00 0.00 O ATOM 1489 CB THR A 97 16.497 -15.181 -2.347 1.00 0.00 C ATOM 1490 OG1 THR A 97 16.667 -16.413 -3.057 1.00 0.00 O ATOM 1491 CG2 THR A 97 15.064 -15.073 -1.845 1.00 0.00 C ATOM 0 H THR A 97 15.672 -12.381 -2.633 1.00 0.00 H new ATOM 0 HA THR A 97 17.911 -14.044 -3.508 1.00 0.00 H new ATOM 0 HB THR A 97 17.168 -15.160 -1.488 1.00 0.00 H new ATOM 0 HG1 THR A 97 16.442 -17.164 -2.468 1.00 0.00 H new ATOM 0 HG21 THR A 97 14.839 -15.923 -1.201 1.00 0.00 H new ATOM 0 HG22 THR A 97 14.945 -14.149 -1.280 1.00 0.00 H new ATOM 0 HG23 THR A 97 14.380 -15.070 -2.694 1.00 0.00 H new ATOM 1499 N GLY A 98 16.682 -14.498 -5.627 1.00 0.00 N ATOM 1500 CA GLY A 98 16.001 -14.629 -6.903 1.00 0.00 C ATOM 1501 C GLY A 98 15.325 -13.344 -7.344 1.00 0.00 C ATOM 1502 O GLY A 98 15.955 -12.287 -7.394 1.00 0.00 O ATOM 0 H GLY A 98 17.672 -14.742 -5.644 1.00 0.00 H new ATOM 0 HA2 GLY A 98 16.720 -14.935 -7.663 1.00 0.00 H new ATOM 0 HA3 GLY A 98 15.255 -15.421 -6.832 1.00 0.00 H new ATOM 1506 N PHE A 99 14.039 -13.439 -7.661 1.00 0.00 N ATOM 1507 CA PHE A 99 13.265 -12.283 -8.104 1.00 0.00 C ATOM 1508 C PHE A 99 13.111 -11.262 -6.979 1.00 0.00 C ATOM 1509 O PHE A 99 13.192 -10.056 -7.212 1.00 0.00 O ATOM 1510 CB PHE A 99 11.887 -12.734 -8.598 1.00 0.00 C ATOM 1511 CG PHE A 99 10.946 -11.601 -8.898 1.00 0.00 C ATOM 1512 CD1 PHE A 99 11.210 -10.715 -9.931 1.00 0.00 C ATOM 1513 CD2 PHE A 99 9.795 -11.426 -8.148 1.00 0.00 C ATOM 1514 CE1 PHE A 99 10.342 -9.675 -10.208 1.00 0.00 C ATOM 1515 CE2 PHE A 99 8.924 -10.389 -8.420 1.00 0.00 C ATOM 1516 CZ PHE A 99 9.198 -9.511 -9.452 1.00 0.00 C ATOM 0 H PHE A 99 13.507 -14.308 -7.619 1.00 0.00 H new ATOM 0 HA PHE A 99 13.802 -11.806 -8.924 1.00 0.00 H new ATOM 0 HB2 PHE A 99 12.014 -13.336 -9.498 1.00 0.00 H new ATOM 0 HB3 PHE A 99 11.435 -13.379 -7.844 1.00 0.00 H new ATOM 0 HD1 PHE A 99 12.103 -10.838 -10.526 1.00 0.00 H new ATOM 0 HD2 PHE A 99 9.576 -12.109 -7.340 1.00 0.00 H new ATOM 0 HE1 PHE A 99 10.559 -8.991 -11.015 1.00 0.00 H new ATOM 0 HE2 PHE A 99 8.030 -10.264 -7.827 1.00 0.00 H new ATOM 0 HZ PHE A 99 8.519 -8.699 -9.666 1.00 0.00 H new ATOM 1526 N ALA A 100 12.889 -11.754 -5.764 1.00 0.00 N ATOM 1527 CA ALA A 100 12.715 -10.890 -4.599 1.00 0.00 C ATOM 1528 C ALA A 100 13.840 -9.864 -4.487 1.00 0.00 C ATOM 1529 O ALA A 100 13.603 -8.703 -4.164 1.00 0.00 O ATOM 1530 CB ALA A 100 12.637 -11.727 -3.333 1.00 0.00 C ATOM 0 H ALA A 100 12.825 -12.751 -5.559 1.00 0.00 H new ATOM 0 HA ALA A 100 11.780 -10.344 -4.726 1.00 0.00 H new ATOM 0 HB1 ALA A 100 12.507 -11.072 -2.471 1.00 0.00 H new ATOM 0 HB2 ALA A 100 11.790 -12.410 -3.400 1.00 0.00 H new ATOM 0 HB3 ALA A 100 13.557 -12.300 -3.218 1.00 0.00 H new ATOM 1536 N ARG A 101 15.064 -10.301 -4.751 1.00 0.00 N ATOM 1537 CA ARG A 101 16.225 -9.418 -4.680 1.00 0.00 C ATOM 1538 C ARG A 101 16.138 -8.312 -5.726 1.00 0.00 C ATOM 1539 O ARG A 101 16.145 -7.126 -5.393 1.00 0.00 O ATOM 1540 CB ARG A 101 17.502 -10.225 -4.902 1.00 0.00 C ATOM 1541 CG ARG A 101 18.772 -9.385 -4.939 1.00 0.00 C ATOM 1542 CD ARG A 101 19.215 -8.970 -3.546 1.00 0.00 C ATOM 1543 NE ARG A 101 20.483 -8.243 -3.567 1.00 0.00 N ATOM 1544 CZ ARG A 101 21.482 -8.478 -2.720 1.00 0.00 C ATOM 1545 NH1 ARG A 101 21.364 -9.419 -1.792 1.00 0.00 N ATOM 1546 NH2 ARG A 101 22.601 -7.771 -2.801 1.00 0.00 N ATOM 0 H ARG A 101 15.281 -11.262 -5.017 1.00 0.00 H new ATOM 0 HA ARG A 101 16.243 -8.960 -3.691 1.00 0.00 H new ATOM 0 HB2 ARG A 101 17.593 -10.966 -4.108 1.00 0.00 H new ATOM 0 HB3 ARG A 101 17.414 -10.772 -5.840 1.00 0.00 H new ATOM 0 HG2 ARG A 101 19.569 -9.952 -5.420 1.00 0.00 H new ATOM 0 HG3 ARG A 101 18.602 -8.496 -5.546 1.00 0.00 H new ATOM 0 HD2 ARG A 101 18.446 -8.344 -3.093 1.00 0.00 H new ATOM 0 HD3 ARG A 101 19.316 -9.856 -2.919 1.00 0.00 H new ATOM 0 HE ARG A 101 20.609 -7.515 -4.270 1.00 0.00 H new ATOM 0 HH11 ARG A 101 20.505 -9.965 -1.726 1.00 0.00 H new ATOM 0 HH12 ARG A 101 22.132 -9.596 -1.145 1.00 0.00 H new ATOM 0 HH21 ARG A 101 22.696 -7.047 -3.513 1.00 0.00 H new ATOM 0 HH22 ARG A 101 23.366 -7.952 -2.151 1.00 0.00 H new ATOM 1560 N LYS A 102 16.063 -8.715 -6.994 1.00 0.00 N ATOM 1561 CA LYS A 102 15.983 -7.768 -8.104 1.00 0.00 C ATOM 1562 C LYS A 102 14.894 -6.727 -7.862 1.00 0.00 C ATOM 1563 O LYS A 102 14.933 -5.632 -8.419 1.00 0.00 O ATOM 1564 CB LYS A 102 15.711 -8.511 -9.415 1.00 0.00 C ATOM 1565 CG LYS A 102 15.702 -7.606 -10.638 1.00 0.00 C ATOM 1566 CD LYS A 102 17.085 -7.043 -10.930 1.00 0.00 C ATOM 1567 CE LYS A 102 18.022 -8.116 -11.463 1.00 0.00 C ATOM 1568 NZ LYS A 102 17.544 -8.676 -12.756 1.00 0.00 N ATOM 0 H LYS A 102 16.056 -9.695 -7.278 1.00 0.00 H new ATOM 0 HA LYS A 102 16.940 -7.252 -8.175 1.00 0.00 H new ATOM 0 HB2 LYS A 102 16.469 -9.282 -9.550 1.00 0.00 H new ATOM 0 HB3 LYS A 102 14.749 -9.019 -9.342 1.00 0.00 H new ATOM 0 HG2 LYS A 102 15.347 -8.166 -11.503 1.00 0.00 H new ATOM 0 HG3 LYS A 102 15.001 -6.786 -10.479 1.00 0.00 H new ATOM 0 HD2 LYS A 102 17.004 -6.235 -11.657 1.00 0.00 H new ATOM 0 HD3 LYS A 102 17.503 -6.612 -10.020 1.00 0.00 H new ATOM 0 HE2 LYS A 102 19.018 -7.695 -11.596 1.00 0.00 H new ATOM 0 HE3 LYS A 102 18.110 -8.918 -10.730 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 18.336 -9.134 -13.250 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 16.797 -9.377 -12.576 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 17.164 -7.909 -13.347 1.00 0.00 H new ATOM 1582 N VAL A 103 13.928 -7.080 -7.026 1.00 0.00 N ATOM 1583 CA VAL A 103 12.825 -6.187 -6.703 1.00 0.00 C ATOM 1584 C VAL A 103 13.304 -4.959 -5.924 1.00 0.00 C ATOM 1585 O VAL A 103 13.148 -3.829 -6.381 1.00 0.00 O ATOM 1586 CB VAL A 103 11.746 -6.932 -5.888 1.00 0.00 C ATOM 1587 CG1 VAL A 103 10.830 -5.959 -5.155 1.00 0.00 C ATOM 1588 CG2 VAL A 103 10.934 -7.847 -6.793 1.00 0.00 C ATOM 0 H VAL A 103 13.886 -7.985 -6.557 1.00 0.00 H new ATOM 0 HA VAL A 103 12.395 -5.847 -7.645 1.00 0.00 H new ATOM 0 HB VAL A 103 12.255 -7.539 -5.139 1.00 0.00 H new ATOM 0 HG11 VAL A 103 10.082 -6.517 -4.591 1.00 0.00 H new ATOM 0 HG12 VAL A 103 11.420 -5.349 -4.470 1.00 0.00 H new ATOM 0 HG13 VAL A 103 10.332 -5.313 -5.878 1.00 0.00 H new ATOM 0 HG21 VAL A 103 10.178 -8.365 -6.203 1.00 0.00 H new ATOM 0 HG22 VAL A 103 10.447 -7.254 -7.567 1.00 0.00 H new ATOM 0 HG23 VAL A 103 11.595 -8.579 -7.258 1.00 0.00 H new ATOM 1598 N ALA A 104 13.894 -5.194 -4.756 1.00 0.00 N ATOM 1599 CA ALA A 104 14.385 -4.114 -3.897 1.00 0.00 C ATOM 1600 C ALA A 104 15.398 -3.214 -4.606 1.00 0.00 C ATOM 1601 O ALA A 104 15.247 -1.993 -4.642 1.00 0.00 O ATOM 1602 CB ALA A 104 15.017 -4.701 -2.645 1.00 0.00 C ATOM 0 H ALA A 104 14.046 -6.129 -4.378 1.00 0.00 H new ATOM 0 HA ALA A 104 13.526 -3.496 -3.635 1.00 0.00 H new ATOM 0 HB1 ALA A 104 15.381 -3.894 -2.009 1.00 0.00 H new ATOM 0 HB2 ALA A 104 14.274 -5.285 -2.102 1.00 0.00 H new ATOM 0 HB3 ALA A 104 15.850 -5.346 -2.926 1.00 0.00 H new ATOM 1608 N VAL A 105 16.427 -3.836 -5.162 1.00 0.00 N ATOM 1609 CA VAL A 105 17.509 -3.121 -5.838 1.00 0.00 C ATOM 1610 C VAL A 105 17.032 -2.299 -7.038 1.00 0.00 C ATOM 1611 O VAL A 105 17.386 -1.131 -7.174 1.00 0.00 O ATOM 1612 CB VAL A 105 18.610 -4.098 -6.301 1.00 0.00 C ATOM 1613 CG1 VAL A 105 18.057 -5.113 -7.289 1.00 0.00 C ATOM 1614 CG2 VAL A 105 19.786 -3.342 -6.903 1.00 0.00 C ATOM 0 H VAL A 105 16.539 -4.850 -5.159 1.00 0.00 H new ATOM 0 HA VAL A 105 17.910 -2.426 -5.100 1.00 0.00 H new ATOM 0 HB VAL A 105 18.968 -4.641 -5.426 1.00 0.00 H new ATOM 0 HG11 VAL A 105 18.853 -5.790 -7.600 1.00 0.00 H new ATOM 0 HG12 VAL A 105 17.259 -5.685 -6.815 1.00 0.00 H new ATOM 0 HG13 VAL A 105 17.662 -4.593 -8.162 1.00 0.00 H new ATOM 0 HG21 VAL A 105 20.550 -4.051 -7.222 1.00 0.00 H new ATOM 0 HG22 VAL A 105 19.446 -2.764 -7.762 1.00 0.00 H new ATOM 0 HG23 VAL A 105 20.206 -2.668 -6.156 1.00 0.00 H new ATOM 1624 N ASN A 106 16.267 -2.913 -7.926 1.00 0.00 N ATOM 1625 CA ASN A 106 15.775 -2.214 -9.111 1.00 0.00 C ATOM 1626 C ASN A 106 14.712 -1.170 -8.770 1.00 0.00 C ATOM 1627 O ASN A 106 14.589 -0.155 -9.453 1.00 0.00 O ATOM 1628 CB ASN A 106 15.209 -3.209 -10.126 1.00 0.00 C ATOM 1629 CG ASN A 106 14.810 -2.538 -11.425 1.00 0.00 C ATOM 1630 OD1 ASN A 106 15.405 -1.538 -11.829 1.00 0.00 O ATOM 1631 ND2 ASN A 106 13.796 -3.082 -12.088 1.00 0.00 N ATOM 0 H ASN A 106 15.973 -3.887 -7.854 1.00 0.00 H new ATOM 0 HA ASN A 106 16.628 -1.692 -9.545 1.00 0.00 H new ATOM 0 HB2 ASN A 106 15.953 -3.979 -10.331 1.00 0.00 H new ATOM 0 HB3 ASN A 106 14.341 -3.710 -9.696 1.00 0.00 H new ATOM 0 HD21 ASN A 106 13.483 -2.671 -12.967 1.00 0.00 H new ATOM 0 HD22 ASN A 106 13.331 -3.911 -11.718 1.00 0.00 H new ATOM 1638 N TYR A 107 13.946 -1.425 -7.715 1.00 0.00 N ATOM 1639 CA TYR A 107 12.872 -0.535 -7.315 1.00 0.00 C ATOM 1640 C TYR A 107 13.390 0.831 -6.875 1.00 0.00 C ATOM 1641 O TYR A 107 12.889 1.864 -7.314 1.00 0.00 O ATOM 1642 CB TYR A 107 12.057 -1.186 -6.202 1.00 0.00 C ATOM 1643 CG TYR A 107 11.261 -0.209 -5.382 1.00 0.00 C ATOM 1644 CD1 TYR A 107 10.315 0.622 -5.965 1.00 0.00 C ATOM 1645 CD2 TYR A 107 11.472 -0.115 -4.022 1.00 0.00 C ATOM 1646 CE1 TYR A 107 9.598 1.522 -5.205 1.00 0.00 C ATOM 1647 CE2 TYR A 107 10.763 0.782 -3.251 1.00 0.00 C ATOM 1648 CZ TYR A 107 9.826 1.599 -3.848 1.00 0.00 C ATOM 1649 OH TYR A 107 9.118 2.497 -3.088 1.00 0.00 O ATOM 0 H TYR A 107 14.053 -2.247 -7.121 1.00 0.00 H new ATOM 0 HA TYR A 107 12.235 -0.366 -8.183 1.00 0.00 H new ATOM 0 HB2 TYR A 107 11.377 -1.916 -6.642 1.00 0.00 H new ATOM 0 HB3 TYR A 107 12.731 -1.734 -5.544 1.00 0.00 H new ATOM 0 HD1 TYR A 107 10.138 0.563 -7.029 1.00 0.00 H new ATOM 0 HD2 TYR A 107 12.205 -0.755 -3.553 1.00 0.00 H new ATOM 0 HE1 TYR A 107 8.863 2.162 -5.670 1.00 0.00 H new ATOM 0 HE2 TYR A 107 10.940 0.844 -2.187 1.00 0.00 H new ATOM 0 HH TYR A 107 8.166 2.438 -3.314 1.00 0.00 H new ATOM 1659 N LEU A 108 14.389 0.823 -6.000 1.00 0.00 N ATOM 1660 CA LEU A 108 14.962 2.058 -5.477 1.00 0.00 C ATOM 1661 C LEU A 108 15.433 2.994 -6.590 1.00 0.00 C ATOM 1662 O LEU A 108 15.735 4.161 -6.338 1.00 0.00 O ATOM 1663 CB LEU A 108 16.116 1.741 -4.523 1.00 0.00 C ATOM 1664 CG LEU A 108 17.190 0.800 -5.069 1.00 0.00 C ATOM 1665 CD1 LEU A 108 18.133 1.541 -6.006 1.00 0.00 C ATOM 1666 CD2 LEU A 108 17.966 0.157 -3.930 1.00 0.00 C ATOM 0 H LEU A 108 14.820 -0.027 -5.637 1.00 0.00 H new ATOM 0 HA LEU A 108 14.174 2.578 -4.932 1.00 0.00 H new ATOM 0 HB2 LEU A 108 16.593 2.678 -4.235 1.00 0.00 H new ATOM 0 HB3 LEU A 108 15.702 1.302 -3.615 1.00 0.00 H new ATOM 0 HG LEU A 108 16.695 0.013 -5.637 1.00 0.00 H new ATOM 0 HD11 LEU A 108 18.889 0.851 -6.382 1.00 0.00 H new ATOM 0 HD12 LEU A 108 17.567 1.951 -6.843 1.00 0.00 H new ATOM 0 HD13 LEU A 108 18.620 2.353 -5.465 1.00 0.00 H new ATOM 0 HD21 LEU A 108 18.726 -0.509 -4.338 1.00 0.00 H new ATOM 0 HD22 LEU A 108 18.446 0.933 -3.333 1.00 0.00 H new ATOM 0 HD23 LEU A 108 17.283 -0.414 -3.301 1.00 0.00 H new ATOM 1678 N GLU A 109 15.497 2.484 -7.815 1.00 0.00 N ATOM 1679 CA GLU A 109 15.925 3.290 -8.953 1.00 0.00 C ATOM 1680 C GLU A 109 14.919 4.404 -9.234 1.00 0.00 C ATOM 1681 O GLU A 109 15.281 5.475 -9.719 1.00 0.00 O ATOM 1682 CB GLU A 109 16.098 2.413 -10.193 1.00 0.00 C ATOM 1683 CG GLU A 109 16.579 3.177 -11.417 1.00 0.00 C ATOM 1684 CD GLU A 109 16.747 2.285 -12.631 1.00 0.00 C ATOM 1685 OE1 GLU A 109 15.753 2.076 -13.357 1.00 0.00 O ATOM 1686 OE2 GLU A 109 17.875 1.796 -12.857 1.00 0.00 O ATOM 0 H GLU A 109 15.259 1.519 -8.045 1.00 0.00 H new ATOM 0 HA GLU A 109 16.885 3.744 -8.707 1.00 0.00 H new ATOM 0 HB2 GLU A 109 16.809 1.618 -9.969 1.00 0.00 H new ATOM 0 HB3 GLU A 109 15.147 1.934 -10.425 1.00 0.00 H new ATOM 0 HG2 GLU A 109 15.868 3.970 -11.649 1.00 0.00 H new ATOM 0 HG3 GLU A 109 17.530 3.658 -11.190 1.00 0.00 H new ATOM 1693 N THR A 110 13.653 4.137 -8.924 1.00 0.00 N ATOM 1694 CA THR A 110 12.587 5.111 -9.136 1.00 0.00 C ATOM 1695 C THR A 110 12.016 5.599 -7.810 1.00 0.00 C ATOM 1696 O THR A 110 11.746 6.788 -7.644 1.00 0.00 O ATOM 1697 CB THR A 110 11.446 4.519 -9.985 1.00 0.00 C ATOM 1698 OG1 THR A 110 11.056 3.244 -9.461 1.00 0.00 O ATOM 1699 CG2 THR A 110 11.872 4.368 -11.437 1.00 0.00 C ATOM 0 H THR A 110 13.340 3.252 -8.524 1.00 0.00 H new ATOM 0 HA THR A 110 13.030 5.952 -9.670 1.00 0.00 H new ATOM 0 HB THR A 110 10.599 5.204 -9.942 1.00 0.00 H new ATOM 0 HG1 THR A 110 10.329 2.875 -10.005 1.00 0.00 H new ATOM 0 HG21 THR A 110 11.049 3.948 -12.016 1.00 0.00 H new ATOM 0 HG22 THR A 110 12.139 5.344 -11.841 1.00 0.00 H new ATOM 0 HG23 THR A 110 12.734 3.703 -11.496 1.00 0.00 H new ATOM 1707 N HIS A 111 11.822 4.663 -6.879 1.00 0.00 N ATOM 1708 CA HIS A 111 11.286 4.965 -5.550 1.00 0.00 C ATOM 1709 C HIS A 111 10.106 5.932 -5.629 1.00 0.00 C ATOM 1710 O HIS A 111 10.091 6.919 -4.863 1.00 0.00 O ATOM 1711 CB HIS A 111 12.381 5.511 -4.615 1.00 0.00 C ATOM 1712 CG HIS A 111 13.045 6.770 -5.089 1.00 0.00 C ATOM 1713 ND1 HIS A 111 12.556 8.030 -4.814 1.00 0.00 N ATOM 1714 CD2 HIS A 111 14.173 6.958 -5.817 1.00 0.00 C ATOM 1715 CE1 HIS A 111 13.354 8.936 -5.351 1.00 0.00 C ATOM 1716 NE2 HIS A 111 14.340 8.311 -5.964 1.00 0.00 N ATOM 1717 OXT HIS A 111 9.206 5.694 -6.462 1.00 0.00 O ATOM 0 H HIS A 111 12.032 3.675 -7.025 1.00 0.00 H new ATOM 0 HA HIS A 111 10.921 4.029 -5.128 1.00 0.00 H new ATOM 0 HB2 HIS A 111 11.942 5.696 -3.634 1.00 0.00 H new ATOM 0 HB3 HIS A 111 13.143 4.743 -4.484 1.00 0.00 H new ATOM 0 HD1 HIS A 111 11.711 8.231 -4.280 1.00 0.00 H new ATOM 0 HD2 HIS A 111 14.819 6.186 -6.208 1.00 0.00 H new ATOM 0 HE1 HIS A 111 13.221 10.006 -5.297 1.00 0.00 H new