USER MOD reduce.3.24.130724 H: found=0, std=0, add=492, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 493 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 49 ASN : amide:sc= -1.11 K(o=0.28,f=-3.8!) USER MOD Set 1.2: A 52 THR OG1 : rot 85:sc= 1.15 USER MOD Set 1.3: A 76 CYS SG : rot -13:sc= 0.237 USER MOD Set 2.1: A 31 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 34 SER OG : rot -130:sc= 0.858 USER MOD Single : A 29 ASN : amide:sc= -0.941 X(o=-0.94,f=-0.92) USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 THR OG1 : rot 180:sc= 0.0725 USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 GLN : amide:sc= -0.0633 K(o=-0.063,f=-0.74) USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 60 ASN : amide:sc= -2.13! C(o=-2.1!,f=-11!) USER MOD Single : A 63 GLN : amide:sc= -0.0982 X(o=-0.098,f=0) USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 68 ASN : amide:sc= -0.0172 X(o=-0.017,f=-0.0076) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 THR OG1 : rot 78:sc= 0.728 USER MOD Single : A 83 TYR OH : rot 180:sc= 0 USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 85 GLN : amide:sc= -1.14 K(o=-1.1,f=-4.5!) USER MOD Single : A 87 THR OG1 : rot 180:sc= 0 USER MOD Single : A 89 GLN : amide:sc= -1.71 K(o=-1.7,f=-3.8!) USER MOD Single : A 90 LYS NZ :NH3+ -138:sc= -0.194 (180deg=-1.11) USER MOD ----------------------------------------------------------------- ATOM 390 N ILE A 28 -38.416 1.166 -11.336 1.00 0.00 N ATOM 391 CA ILE A 28 -37.847 2.507 -11.372 1.00 0.00 C ATOM 392 C ILE A 28 -38.110 3.180 -12.715 1.00 0.00 C ATOM 393 O ILE A 28 -38.089 2.532 -13.760 1.00 0.00 O ATOM 394 CB ILE A 28 -36.329 2.481 -11.113 1.00 0.00 C ATOM 395 CG1 ILE A 28 -36.016 1.638 -9.875 1.00 0.00 C ATOM 396 CG2 ILE A 28 -35.796 3.896 -10.945 1.00 0.00 C ATOM 397 CD1 ILE A 28 -36.618 2.188 -8.601 1.00 0.00 C ATOM 0 HA ILE A 28 -38.333 3.078 -10.581 1.00 0.00 H new ATOM 0 HB ILE A 28 -35.836 2.028 -11.973 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -36.384 0.624 -10.033 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -34.935 1.569 -9.756 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -34.722 3.861 -10.763 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -35.992 4.469 -11.852 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -36.292 4.374 -10.100 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -36.355 1.540 -7.765 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -36.231 3.190 -8.419 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -37.703 2.231 -8.700 1.00 0.00 H new ATOM 409 N ASN A 29 -38.356 4.486 -12.678 1.00 0.00 N ATOM 410 CA ASN A 29 -38.622 5.248 -13.893 1.00 0.00 C ATOM 411 C ASN A 29 -38.145 6.690 -13.745 1.00 0.00 C ATOM 412 O ASN A 29 -38.027 7.204 -12.633 1.00 0.00 O ATOM 413 CB ASN A 29 -40.117 5.225 -14.217 1.00 0.00 C ATOM 414 CG ASN A 29 -40.687 3.819 -14.218 1.00 0.00 C ATOM 415 OD1 ASN A 29 -41.311 3.390 -13.248 1.00 0.00 O ATOM 416 ND2 ASN A 29 -40.473 3.095 -15.310 1.00 0.00 N ATOM 0 H ASN A 29 -38.377 5.038 -11.821 1.00 0.00 H new ATOM 0 HA ASN A 29 -38.072 4.784 -14.712 1.00 0.00 H new ATOM 0 HB2 ASN A 29 -40.654 5.831 -13.487 1.00 0.00 H new ATOM 0 HB3 ASN A 29 -40.282 5.682 -15.193 1.00 0.00 H new ATOM 0 HD21 ASN A 29 -40.832 2.142 -15.368 1.00 0.00 H new ATOM 0 HD22 ASN A 29 -39.950 3.492 -16.091 1.00 0.00 H new ATOM 423 N ILE A 30 -37.873 7.335 -14.875 1.00 0.00 N ATOM 424 CA ILE A 30 -37.410 8.717 -14.871 1.00 0.00 C ATOM 425 C ILE A 30 -38.208 9.566 -15.855 1.00 0.00 C ATOM 426 O ILE A 30 -38.749 9.056 -16.837 1.00 0.00 O ATOM 427 CB ILE A 30 -35.914 8.811 -15.225 1.00 0.00 C ATOM 428 CG1 ILE A 30 -35.597 7.926 -16.432 1.00 0.00 C ATOM 429 CG2 ILE A 30 -35.061 8.413 -14.031 1.00 0.00 C ATOM 430 CD1 ILE A 30 -34.139 7.951 -16.833 1.00 0.00 C ATOM 0 H ILE A 30 -37.965 6.923 -15.804 1.00 0.00 H new ATOM 0 HA ILE A 30 -37.560 9.097 -13.861 1.00 0.00 H new ATOM 0 HB ILE A 30 -35.681 9.844 -15.484 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -35.886 6.900 -16.206 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -36.204 8.248 -17.278 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -34.006 8.485 -14.297 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -35.271 9.081 -13.195 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -35.294 7.388 -13.743 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -33.988 7.301 -17.695 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -33.850 8.970 -17.091 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -33.527 7.600 -16.002 1.00 0.00 H new ATOM 442 N THR A 31 -38.276 10.867 -15.586 1.00 0.00 N ATOM 443 CA THR A 31 -39.007 11.788 -16.447 1.00 0.00 C ATOM 444 C THR A 31 -38.184 13.036 -16.742 1.00 0.00 C ATOM 445 O THR A 31 -37.074 13.194 -16.232 1.00 0.00 O ATOM 446 CB THR A 31 -40.347 12.207 -15.812 1.00 0.00 C ATOM 447 OG1 THR A 31 -40.202 12.316 -14.392 1.00 0.00 O ATOM 448 CG2 THR A 31 -41.440 11.202 -16.141 1.00 0.00 C ATOM 0 H THR A 31 -37.833 11.306 -14.779 1.00 0.00 H new ATOM 0 HA THR A 31 -39.205 11.259 -17.379 1.00 0.00 H new ATOM 0 HB THR A 31 -40.632 13.175 -16.223 1.00 0.00 H new ATOM 0 HG1 THR A 31 -41.057 12.584 -13.995 1.00 0.00 H new ATOM 0 HG21 THR A 31 -42.376 11.519 -15.682 1.00 0.00 H new ATOM 0 HG22 THR A 31 -41.567 11.144 -17.222 1.00 0.00 H new ATOM 0 HG23 THR A 31 -41.161 10.221 -15.755 1.00 0.00 H new ATOM 456 N TYR A 32 -38.734 13.921 -17.565 1.00 0.00 N ATOM 457 CA TYR A 32 -38.049 15.156 -17.929 1.00 0.00 C ATOM 458 C TYR A 32 -37.857 16.052 -16.708 1.00 0.00 C ATOM 459 O TYR A 32 -37.028 16.963 -16.717 1.00 0.00 O ATOM 460 CB TYR A 32 -38.838 15.904 -19.005 1.00 0.00 C ATOM 461 CG TYR A 32 -38.328 15.661 -20.407 1.00 0.00 C ATOM 462 CD1 TYR A 32 -37.041 16.032 -20.774 1.00 0.00 C ATOM 463 CD2 TYR A 32 -39.135 15.059 -21.366 1.00 0.00 C ATOM 464 CE1 TYR A 32 -36.572 15.813 -22.055 1.00 0.00 C ATOM 465 CE2 TYR A 32 -38.674 14.835 -22.649 1.00 0.00 C ATOM 466 CZ TYR A 32 -37.392 15.213 -22.988 1.00 0.00 C ATOM 467 OH TYR A 32 -36.928 14.992 -24.265 1.00 0.00 O ATOM 0 H TYR A 32 -39.653 13.807 -17.993 1.00 0.00 H new ATOM 0 HA TYR A 32 -37.067 14.894 -18.324 1.00 0.00 H new ATOM 0 HB2 TYR A 32 -39.885 15.604 -18.951 1.00 0.00 H new ATOM 0 HB3 TYR A 32 -38.801 16.973 -18.794 1.00 0.00 H new ATOM 0 HD1 TYR A 32 -36.396 16.500 -20.045 1.00 0.00 H new ATOM 0 HD2 TYR A 32 -40.139 14.761 -21.103 1.00 0.00 H new ATOM 0 HE1 TYR A 32 -35.569 16.110 -22.324 1.00 0.00 H new ATOM 0 HE2 TYR A 32 -39.314 14.367 -23.382 1.00 0.00 H new ATOM 0 HH TYR A 32 -37.628 14.560 -24.797 1.00 0.00 H new ATOM 477 N ASP A 33 -38.627 15.785 -15.660 1.00 0.00 N ATOM 478 CA ASP A 33 -38.542 16.564 -14.430 1.00 0.00 C ATOM 479 C ASP A 33 -38.064 15.697 -13.269 1.00 0.00 C ATOM 480 O ASP A 33 -38.556 15.819 -12.147 1.00 0.00 O ATOM 481 CB ASP A 33 -39.902 17.181 -14.097 1.00 0.00 C ATOM 482 CG ASP A 33 -40.196 18.416 -14.926 1.00 0.00 C ATOM 483 OD1 ASP A 33 -39.809 19.523 -14.499 1.00 0.00 O ATOM 484 OD2 ASP A 33 -40.814 18.274 -16.002 1.00 0.00 O ATOM 0 H ASP A 33 -39.318 15.035 -15.637 1.00 0.00 H new ATOM 0 HA ASP A 33 -37.817 17.363 -14.585 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -40.684 16.440 -14.264 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -39.930 17.442 -13.039 1.00 0.00 H new ATOM 489 N SER A 34 -37.104 14.821 -13.548 1.00 0.00 N ATOM 490 CA SER A 34 -36.563 13.931 -12.528 1.00 0.00 C ATOM 491 C SER A 34 -35.276 14.498 -11.938 1.00 0.00 C ATOM 492 O SER A 34 -34.710 15.460 -12.460 1.00 0.00 O ATOM 493 CB SER A 34 -36.299 12.545 -13.119 1.00 0.00 C ATOM 494 OG SER A 34 -37.447 11.720 -13.018 1.00 0.00 O ATOM 0 H SER A 34 -36.685 14.709 -14.471 1.00 0.00 H new ATOM 0 HA SER A 34 -37.300 13.844 -11.730 1.00 0.00 H new ATOM 0 HB2 SER A 34 -36.008 12.642 -14.165 1.00 0.00 H new ATOM 0 HB3 SER A 34 -35.464 12.077 -12.598 1.00 0.00 H new ATOM 0 HG SER A 34 -37.197 10.858 -12.626 1.00 0.00 H new ATOM 500 N THR A 35 -34.816 13.895 -10.846 1.00 0.00 N ATOM 501 CA THR A 35 -33.597 14.340 -10.183 1.00 0.00 C ATOM 502 C THR A 35 -32.394 13.521 -10.639 1.00 0.00 C ATOM 503 O THR A 35 -32.522 12.381 -11.087 1.00 0.00 O ATOM 504 CB THR A 35 -33.721 14.240 -8.651 1.00 0.00 C ATOM 505 OG1 THR A 35 -33.318 12.938 -8.211 1.00 0.00 O ATOM 506 CG2 THR A 35 -35.150 14.511 -8.206 1.00 0.00 C ATOM 0 H THR A 35 -35.270 13.097 -10.402 1.00 0.00 H new ATOM 0 HA THR A 35 -33.449 15.384 -10.460 1.00 0.00 H new ATOM 0 HB THR A 35 -33.069 14.992 -8.205 1.00 0.00 H new ATOM 0 HG1 THR A 35 -33.398 12.883 -7.236 1.00 0.00 H new ATOM 0 HG21 THR A 35 -35.214 14.435 -7.121 1.00 0.00 H new ATOM 0 HG22 THR A 35 -35.444 15.513 -8.517 1.00 0.00 H new ATOM 0 HG23 THR A 35 -35.818 13.779 -8.661 1.00 0.00 H new ATOM 514 N PRO A 36 -31.196 14.112 -10.521 1.00 0.00 N ATOM 515 CA PRO A 36 -29.946 13.454 -10.914 1.00 0.00 C ATOM 516 C PRO A 36 -29.579 12.303 -9.984 1.00 0.00 C ATOM 517 O PRO A 36 -28.643 11.551 -10.252 1.00 0.00 O ATOM 518 CB PRO A 36 -28.908 14.575 -10.814 1.00 0.00 C ATOM 519 CG PRO A 36 -29.476 15.529 -9.821 1.00 0.00 C ATOM 520 CD PRO A 36 -30.968 15.468 -9.994 1.00 0.00 C ATOM 0 HA PRO A 36 -30.016 13.006 -11.905 1.00 0.00 H new ATOM 0 HB2 PRO A 36 -27.942 14.192 -10.487 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -28.750 15.056 -11.779 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -29.189 15.253 -8.806 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -29.104 16.539 -9.993 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -31.489 15.625 -9.049 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -31.324 16.232 -10.685 1.00 0.00 H new ATOM 528 N GLU A 37 -30.323 12.173 -8.889 1.00 0.00 N ATOM 529 CA GLU A 37 -30.074 11.113 -7.919 1.00 0.00 C ATOM 530 C GLU A 37 -30.938 9.890 -8.216 1.00 0.00 C ATOM 531 O GLU A 37 -30.587 8.767 -7.855 1.00 0.00 O ATOM 532 CB GLU A 37 -30.350 11.614 -6.500 1.00 0.00 C ATOM 533 CG GLU A 37 -29.331 11.140 -5.478 1.00 0.00 C ATOM 534 CD GLU A 37 -29.564 11.735 -4.103 1.00 0.00 C ATOM 535 OE1 GLU A 37 -30.633 11.469 -3.514 1.00 0.00 O ATOM 536 OE2 GLU A 37 -28.677 12.466 -3.615 1.00 0.00 O ATOM 0 H GLU A 37 -31.102 12.788 -8.652 1.00 0.00 H new ATOM 0 HA GLU A 37 -29.026 10.824 -7.996 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -30.367 12.704 -6.505 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -31.342 11.282 -6.193 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -29.368 10.053 -5.410 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -28.330 11.404 -5.819 1.00 0.00 H new ATOM 543 N ASP A 38 -32.069 10.118 -8.874 1.00 0.00 N ATOM 544 CA ASP A 38 -32.984 9.036 -9.219 1.00 0.00 C ATOM 545 C ASP A 38 -32.467 8.250 -10.420 1.00 0.00 C ATOM 546 O ASP A 38 -32.603 7.028 -10.480 1.00 0.00 O ATOM 547 CB ASP A 38 -34.376 9.593 -9.520 1.00 0.00 C ATOM 548 CG ASP A 38 -35.306 9.504 -8.326 1.00 0.00 C ATOM 549 OD1 ASP A 38 -34.834 9.714 -7.190 1.00 0.00 O ATOM 550 OD2 ASP A 38 -36.506 9.222 -8.529 1.00 0.00 O ATOM 0 H ASP A 38 -32.374 11.042 -9.179 1.00 0.00 H new ATOM 0 HA ASP A 38 -33.048 8.361 -8.365 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -34.288 10.634 -9.832 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -34.810 9.045 -10.357 1.00 0.00 H new ATOM 555 N VAL A 39 -31.874 8.959 -11.375 1.00 0.00 N ATOM 556 CA VAL A 39 -31.336 8.328 -12.574 1.00 0.00 C ATOM 557 C VAL A 39 -30.295 7.273 -12.219 1.00 0.00 C ATOM 558 O VAL A 39 -30.222 6.218 -12.851 1.00 0.00 O ATOM 559 CB VAL A 39 -30.699 9.366 -13.517 1.00 0.00 C ATOM 560 CG1 VAL A 39 -30.159 8.690 -14.768 1.00 0.00 C ATOM 561 CG2 VAL A 39 -31.707 10.447 -13.878 1.00 0.00 C ATOM 0 H VAL A 39 -31.754 9.971 -11.342 1.00 0.00 H new ATOM 0 HA VAL A 39 -32.173 7.851 -13.084 1.00 0.00 H new ATOM 0 HB VAL A 39 -29.864 9.838 -12.999 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -29.713 9.439 -15.422 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -29.403 7.956 -14.488 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -30.974 8.190 -15.292 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -31.240 11.172 -14.545 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -32.563 9.994 -14.377 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -32.041 10.951 -12.971 1.00 0.00 H new ATOM 571 N LYS A 40 -29.488 7.562 -11.204 1.00 0.00 N ATOM 572 CA LYS A 40 -28.450 6.638 -10.762 1.00 0.00 C ATOM 573 C LYS A 40 -29.031 5.252 -10.503 1.00 0.00 C ATOM 574 O LYS A 40 -28.462 4.241 -10.918 1.00 0.00 O ATOM 575 CB LYS A 40 -27.775 7.166 -9.494 1.00 0.00 C ATOM 576 CG LYS A 40 -26.276 6.926 -9.459 1.00 0.00 C ATOM 577 CD LYS A 40 -25.633 7.592 -8.254 1.00 0.00 C ATOM 578 CE LYS A 40 -24.557 8.582 -8.673 1.00 0.00 C ATOM 579 NZ LYS A 40 -23.406 8.583 -7.727 1.00 0.00 N ATOM 0 H LYS A 40 -29.533 8.430 -10.671 1.00 0.00 H new ATOM 0 HA LYS A 40 -27.707 6.558 -11.555 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -27.965 8.236 -9.410 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -28.231 6.692 -8.625 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -26.079 5.854 -9.432 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -25.824 7.311 -10.373 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -26.396 8.108 -7.671 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -25.197 6.832 -7.606 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -24.204 8.333 -9.674 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -24.985 9.583 -8.725 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -22.694 9.270 -8.047 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -23.738 8.845 -6.777 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -22.981 7.634 -7.696 1.00 0.00 H new ATOM 593 N THR A 41 -30.168 5.210 -9.815 1.00 0.00 N ATOM 594 CA THR A 41 -30.825 3.948 -9.501 1.00 0.00 C ATOM 595 C THR A 41 -31.525 3.373 -10.727 1.00 0.00 C ATOM 596 O THR A 41 -31.511 2.162 -10.950 1.00 0.00 O ATOM 597 CB THR A 41 -31.855 4.118 -8.369 1.00 0.00 C ATOM 598 OG1 THR A 41 -31.205 4.585 -7.181 1.00 0.00 O ATOM 599 CG2 THR A 41 -32.565 2.803 -8.081 1.00 0.00 C ATOM 0 H THR A 41 -30.653 6.036 -9.465 1.00 0.00 H new ATOM 0 HA THR A 41 -30.046 3.259 -9.174 1.00 0.00 H new ATOM 0 HB THR A 41 -32.596 4.850 -8.689 1.00 0.00 H new ATOM 0 HG1 THR A 41 -31.867 4.692 -6.466 1.00 0.00 H new ATOM 0 HG21 THR A 41 -33.288 2.948 -7.278 1.00 0.00 H new ATOM 0 HG22 THR A 41 -33.083 2.465 -8.979 1.00 0.00 H new ATOM 0 HG23 THR A 41 -31.834 2.053 -7.780 1.00 0.00 H new ATOM 607 N TRP A 42 -32.136 4.247 -11.519 1.00 0.00 N ATOM 608 CA TRP A 42 -32.841 3.825 -12.724 1.00 0.00 C ATOM 609 C TRP A 42 -31.913 3.051 -13.654 1.00 0.00 C ATOM 610 O TRP A 42 -32.346 2.141 -14.363 1.00 0.00 O ATOM 611 CB TRP A 42 -33.419 5.039 -13.453 1.00 0.00 C ATOM 612 CG TRP A 42 -34.183 4.679 -14.691 1.00 0.00 C ATOM 613 CD1 TRP A 42 -35.476 4.245 -14.759 1.00 0.00 C ATOM 614 CD2 TRP A 42 -33.700 4.722 -16.039 1.00 0.00 C ATOM 615 NE1 TRP A 42 -35.826 4.015 -16.068 1.00 0.00 N ATOM 616 CE2 TRP A 42 -34.755 4.300 -16.872 1.00 0.00 C ATOM 617 CE3 TRP A 42 -32.481 5.076 -16.622 1.00 0.00 C ATOM 618 CZ2 TRP A 42 -34.624 4.224 -18.256 1.00 0.00 C ATOM 619 CZ3 TRP A 42 -32.353 5.000 -17.996 1.00 0.00 C ATOM 620 CH2 TRP A 42 -33.419 4.577 -18.801 1.00 0.00 C ATOM 0 H TRP A 42 -32.157 5.252 -11.348 1.00 0.00 H new ATOM 0 HA TRP A 42 -33.657 3.167 -12.426 1.00 0.00 H new ATOM 0 HB2 TRP A 42 -34.076 5.583 -12.774 1.00 0.00 H new ATOM 0 HB3 TRP A 42 -32.606 5.715 -13.720 1.00 0.00 H new ATOM 0 HD1 TRP A 42 -36.128 4.103 -13.909 1.00 0.00 H new ATOM 0 HE1 TRP A 42 -36.736 3.685 -16.389 1.00 0.00 H new ATOM 0 HE3 TRP A 42 -31.653 5.403 -16.010 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 -35.445 3.898 -18.878 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 -31.415 5.271 -18.457 1.00 0.00 H new ATOM 0 HH2 TRP A 42 -33.287 4.529 -19.872 1.00 0.00 H new ATOM 631 N LEU A 43 -30.636 3.417 -13.648 1.00 0.00 N ATOM 632 CA LEU A 43 -29.647 2.756 -14.492 1.00 0.00 C ATOM 633 C LEU A 43 -29.220 1.422 -13.888 1.00 0.00 C ATOM 634 O LEU A 43 -29.076 0.427 -14.597 1.00 0.00 O ATOM 635 CB LEU A 43 -28.426 3.658 -14.682 1.00 0.00 C ATOM 636 CG LEU A 43 -28.704 5.057 -15.234 1.00 0.00 C ATOM 637 CD1 LEU A 43 -27.784 6.079 -14.585 1.00 0.00 C ATOM 638 CD2 LEU A 43 -28.542 5.075 -16.747 1.00 0.00 C ATOM 0 H LEU A 43 -30.261 4.168 -13.068 1.00 0.00 H new ATOM 0 HA LEU A 43 -30.104 2.564 -15.463 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -27.923 3.762 -13.721 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -27.729 3.156 -15.354 1.00 0.00 H new ATOM 0 HG LEU A 43 -29.734 5.323 -14.996 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -27.996 7.068 -14.990 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -27.949 6.085 -13.508 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -26.746 5.817 -14.792 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -28.744 6.078 -17.123 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -27.523 4.788 -17.007 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -29.243 4.372 -17.196 1.00 0.00 H new ATOM 650 N GLN A 44 -29.020 1.411 -12.574 1.00 0.00 N ATOM 651 CA GLN A 44 -28.610 0.199 -11.875 1.00 0.00 C ATOM 652 C GLN A 44 -29.701 -0.865 -11.944 1.00 0.00 C ATOM 653 O GLN A 44 -29.430 -2.028 -12.240 1.00 0.00 O ATOM 654 CB GLN A 44 -28.280 0.514 -10.415 1.00 0.00 C ATOM 655 CG GLN A 44 -26.991 1.299 -10.238 1.00 0.00 C ATOM 656 CD GLN A 44 -25.821 0.420 -9.845 1.00 0.00 C ATOM 657 OE1 GLN A 44 -25.828 -0.788 -10.087 1.00 0.00 O ATOM 658 NE2 GLN A 44 -24.806 1.021 -9.235 1.00 0.00 N ATOM 0 H GLN A 44 -29.135 2.227 -11.973 1.00 0.00 H new ATOM 0 HA GLN A 44 -27.718 -0.189 -12.366 1.00 0.00 H new ATOM 0 HB2 GLN A 44 -29.103 1.080 -9.979 1.00 0.00 H new ATOM 0 HB3 GLN A 44 -28.206 -0.420 -9.858 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -26.755 1.817 -11.168 1.00 0.00 H new ATOM 0 HG3 GLN A 44 -27.138 2.064 -9.475 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -24.842 2.024 -9.054 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -23.991 0.479 -8.947 1.00 0.00 H new ATOM 667 N SER A 45 -30.936 -0.457 -11.670 1.00 0.00 N ATOM 668 CA SER A 45 -32.068 -1.376 -11.697 1.00 0.00 C ATOM 669 C SER A 45 -32.119 -2.137 -13.018 1.00 0.00 C ATOM 670 O SER A 45 -32.209 -3.364 -13.039 1.00 0.00 O ATOM 671 CB SER A 45 -33.377 -0.613 -11.484 1.00 0.00 C ATOM 672 OG SER A 45 -34.474 -1.317 -12.040 1.00 0.00 O ATOM 0 H SER A 45 -31.178 0.504 -11.427 1.00 0.00 H new ATOM 0 HA SER A 45 -31.939 -2.095 -10.888 1.00 0.00 H new ATOM 0 HB2 SER A 45 -33.542 -0.459 -10.418 1.00 0.00 H new ATOM 0 HB3 SER A 45 -33.305 0.374 -11.941 1.00 0.00 H new ATOM 0 HG SER A 45 -35.299 -0.809 -11.889 1.00 0.00 H new ATOM 678 N LYS A 46 -32.061 -1.398 -14.121 1.00 0.00 N ATOM 679 CA LYS A 46 -32.099 -2.000 -15.449 1.00 0.00 C ATOM 680 C LYS A 46 -30.972 -3.014 -15.618 1.00 0.00 C ATOM 681 O LYS A 46 -31.081 -3.950 -16.410 1.00 0.00 O ATOM 682 CB LYS A 46 -31.991 -0.917 -16.525 1.00 0.00 C ATOM 683 CG LYS A 46 -33.192 0.011 -16.577 1.00 0.00 C ATOM 684 CD LYS A 46 -34.461 -0.740 -16.943 1.00 0.00 C ATOM 685 CE LYS A 46 -35.618 0.214 -17.199 1.00 0.00 C ATOM 686 NZ LYS A 46 -36.927 -0.495 -17.220 1.00 0.00 N ATOM 0 H LYS A 46 -31.987 -0.381 -14.122 1.00 0.00 H new ATOM 0 HA LYS A 46 -33.051 -2.519 -15.559 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -31.093 -0.326 -16.345 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -31.869 -1.394 -17.497 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -33.321 0.495 -15.609 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -33.012 0.800 -17.307 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -34.283 -1.345 -17.832 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -34.725 -1.426 -16.138 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -35.633 0.982 -16.426 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -35.465 0.723 -18.151 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -37.690 0.189 -17.397 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -36.922 -1.211 -17.974 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -37.085 -0.960 -16.303 1.00 0.00 H new ATOM 700 N GLY A 47 -29.892 -2.823 -14.868 1.00 0.00 N ATOM 701 CA GLY A 47 -28.762 -3.731 -14.949 1.00 0.00 C ATOM 702 C GLY A 47 -27.633 -3.176 -15.795 1.00 0.00 C ATOM 703 O GLY A 47 -26.951 -3.921 -16.499 1.00 0.00 O ATOM 0 H GLY A 47 -29.779 -2.056 -14.205 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -28.392 -3.937 -13.945 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -29.093 -4.681 -15.368 1.00 0.00 H new ATOM 707 N PHE A 48 -27.434 -1.864 -15.727 1.00 0.00 N ATOM 708 CA PHE A 48 -26.381 -1.210 -16.495 1.00 0.00 C ATOM 709 C PHE A 48 -25.080 -1.159 -15.700 1.00 0.00 C ATOM 710 O PHE A 48 -25.092 -1.015 -14.478 1.00 0.00 O ATOM 711 CB PHE A 48 -26.810 0.207 -16.884 1.00 0.00 C ATOM 712 CG PHE A 48 -27.761 0.247 -18.046 1.00 0.00 C ATOM 713 CD1 PHE A 48 -27.310 0.016 -19.336 1.00 0.00 C ATOM 714 CD2 PHE A 48 -29.106 0.515 -17.849 1.00 0.00 C ATOM 715 CE1 PHE A 48 -28.183 0.053 -20.407 1.00 0.00 C ATOM 716 CE2 PHE A 48 -29.984 0.553 -18.916 1.00 0.00 C ATOM 717 CZ PHE A 48 -29.522 0.321 -20.196 1.00 0.00 C ATOM 0 H PHE A 48 -27.988 -1.233 -15.148 1.00 0.00 H new ATOM 0 HA PHE A 48 -26.210 -1.792 -17.400 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -27.279 0.685 -16.024 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -25.924 0.792 -17.130 1.00 0.00 H new ATOM 0 HD1 PHE A 48 -26.265 -0.195 -19.506 1.00 0.00 H new ATOM 0 HD2 PHE A 48 -29.473 0.696 -16.850 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -27.819 -0.127 -21.408 1.00 0.00 H new ATOM 0 HE2 PHE A 48 -31.030 0.764 -18.748 1.00 0.00 H new ATOM 0 HZ PHE A 48 -30.206 0.349 -21.031 1.00 0.00 H new ATOM 727 N ASN A 49 -23.959 -1.278 -16.403 1.00 0.00 N ATOM 728 CA ASN A 49 -22.648 -1.247 -15.763 1.00 0.00 C ATOM 729 C ASN A 49 -22.498 -0.004 -14.891 1.00 0.00 C ATOM 730 O ASN A 49 -23.157 1.014 -15.100 1.00 0.00 O ATOM 731 CB ASN A 49 -21.542 -1.279 -16.819 1.00 0.00 C ATOM 732 CG ASN A 49 -21.463 0.010 -17.615 1.00 0.00 C ATOM 733 OD1 ASN A 49 -22.368 0.843 -17.558 1.00 0.00 O ATOM 734 ND2 ASN A 49 -20.378 0.179 -18.362 1.00 0.00 N ATOM 0 H ASN A 49 -23.931 -1.397 -17.416 1.00 0.00 H new ATOM 0 HA ASN A 49 -22.560 -2.128 -15.127 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -20.584 -1.461 -16.332 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -21.717 -2.112 -17.499 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -20.269 1.026 -18.919 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -19.653 -0.539 -18.378 1.00 0.00 H new ATOM 741 N PRO A 50 -21.610 -0.088 -13.890 1.00 0.00 N ATOM 742 CA PRO A 50 -21.351 1.020 -12.966 1.00 0.00 C ATOM 743 C PRO A 50 -20.627 2.181 -13.642 1.00 0.00 C ATOM 744 O PRO A 50 -20.762 3.333 -13.231 1.00 0.00 O ATOM 745 CB PRO A 50 -20.461 0.388 -11.893 1.00 0.00 C ATOM 746 CG PRO A 50 -19.795 -0.755 -12.579 1.00 0.00 C ATOM 747 CD PRO A 50 -20.789 -1.272 -13.583 1.00 0.00 C ATOM 0 HA PRO A 50 -22.274 1.448 -12.575 1.00 0.00 H new ATOM 0 HB2 PRO A 50 -19.730 1.102 -11.514 1.00 0.00 H new ATOM 0 HB3 PRO A 50 -21.049 0.050 -11.040 1.00 0.00 H new ATOM 0 HG2 PRO A 50 -18.876 -0.434 -13.069 1.00 0.00 H new ATOM 0 HG3 PRO A 50 -19.521 -1.532 -11.866 1.00 0.00 H new ATOM 0 HD2 PRO A 50 -20.295 -1.661 -14.474 1.00 0.00 H new ATOM 0 HD3 PRO A 50 -21.391 -2.083 -13.172 1.00 0.00 H new ATOM 755 N VAL A 51 -19.860 1.869 -14.681 1.00 0.00 N ATOM 756 CA VAL A 51 -19.116 2.886 -15.415 1.00 0.00 C ATOM 757 C VAL A 51 -20.057 3.904 -16.049 1.00 0.00 C ATOM 758 O VAL A 51 -19.665 5.036 -16.336 1.00 0.00 O ATOM 759 CB VAL A 51 -18.241 2.258 -16.516 1.00 0.00 C ATOM 760 CG1 VAL A 51 -17.500 3.337 -17.290 1.00 0.00 C ATOM 761 CG2 VAL A 51 -17.267 1.257 -15.914 1.00 0.00 C ATOM 0 H VAL A 51 -19.737 0.920 -15.034 1.00 0.00 H new ATOM 0 HA VAL A 51 -18.473 3.389 -14.693 1.00 0.00 H new ATOM 0 HB VAL A 51 -18.889 1.726 -17.213 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -16.887 2.874 -18.063 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -18.220 4.012 -17.753 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -16.861 3.899 -16.609 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -16.656 0.822 -16.705 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -16.623 1.763 -15.195 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -17.823 0.467 -15.409 1.00 0.00 H new ATOM 771 N THR A 52 -21.304 3.496 -16.265 1.00 0.00 N ATOM 772 CA THR A 52 -22.302 4.371 -16.866 1.00 0.00 C ATOM 773 C THR A 52 -23.093 5.118 -15.798 1.00 0.00 C ATOM 774 O THR A 52 -23.317 6.323 -15.906 1.00 0.00 O ATOM 775 CB THR A 52 -23.281 3.581 -17.755 1.00 0.00 C ATOM 776 OG1 THR A 52 -22.586 3.032 -18.880 1.00 0.00 O ATOM 777 CG2 THR A 52 -24.414 4.473 -18.237 1.00 0.00 C ATOM 0 H THR A 52 -21.646 2.564 -16.032 1.00 0.00 H new ATOM 0 HA THR A 52 -21.762 5.089 -17.483 1.00 0.00 H new ATOM 0 HB THR A 52 -23.706 2.772 -17.161 1.00 0.00 H new ATOM 0 HG1 THR A 52 -22.180 2.177 -18.628 1.00 0.00 H new ATOM 0 HG21 THR A 52 -25.092 3.893 -18.863 1.00 0.00 H new ATOM 0 HG22 THR A 52 -24.959 4.865 -17.378 1.00 0.00 H new ATOM 0 HG23 THR A 52 -24.004 5.301 -18.816 1.00 0.00 H new ATOM 785 N VAL A 53 -23.513 4.394 -14.765 1.00 0.00 N ATOM 786 CA VAL A 53 -24.278 4.988 -13.675 1.00 0.00 C ATOM 787 C VAL A 53 -23.466 6.059 -12.954 1.00 0.00 C ATOM 788 O VAL A 53 -24.022 6.922 -12.276 1.00 0.00 O ATOM 789 CB VAL A 53 -24.723 3.923 -12.655 1.00 0.00 C ATOM 790 CG1 VAL A 53 -25.622 4.541 -11.596 1.00 0.00 C ATOM 791 CG2 VAL A 53 -25.427 2.773 -13.360 1.00 0.00 C ATOM 0 H VAL A 53 -23.336 3.395 -14.660 1.00 0.00 H new ATOM 0 HA VAL A 53 -25.162 5.444 -14.121 1.00 0.00 H new ATOM 0 HB VAL A 53 -23.837 3.527 -12.158 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -25.926 3.774 -10.884 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -25.079 5.327 -11.072 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -26.506 4.966 -12.072 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -25.735 2.029 -12.625 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -26.305 3.150 -13.884 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -24.746 2.314 -14.077 1.00 0.00 H new ATOM 801 N ASN A 54 -22.147 5.996 -13.106 1.00 0.00 N ATOM 802 CA ASN A 54 -21.258 6.960 -12.470 1.00 0.00 C ATOM 803 C ASN A 54 -21.165 8.241 -13.294 1.00 0.00 C ATOM 804 O ASN A 54 -21.173 9.344 -12.748 1.00 0.00 O ATOM 805 CB ASN A 54 -19.864 6.357 -12.286 1.00 0.00 C ATOM 806 CG ASN A 54 -19.460 6.267 -10.828 1.00 0.00 C ATOM 807 OD1 ASN A 54 -19.055 7.259 -10.222 1.00 0.00 O ATOM 808 ND2 ASN A 54 -19.568 5.073 -10.256 1.00 0.00 N ATOM 0 H ASN A 54 -21.671 5.287 -13.664 1.00 0.00 H new ATOM 0 HA ASN A 54 -21.672 7.207 -11.492 1.00 0.00 H new ATOM 0 HB2 ASN A 54 -19.841 5.361 -12.729 1.00 0.00 H new ATOM 0 HB3 ASN A 54 -19.135 6.962 -12.825 1.00 0.00 H new ATOM 0 HD21 ASN A 54 -19.310 4.952 -9.277 1.00 0.00 H new ATOM 0 HD22 ASN A 54 -19.909 4.278 -10.796 1.00 0.00 H new ATOM 815 N SER A 55 -21.078 8.086 -14.611 1.00 0.00 N ATOM 816 CA SER A 55 -20.981 9.230 -15.510 1.00 0.00 C ATOM 817 C SER A 55 -22.349 9.870 -15.725 1.00 0.00 C ATOM 818 O SER A 55 -22.454 11.075 -15.957 1.00 0.00 O ATOM 819 CB SER A 55 -20.389 8.799 -16.854 1.00 0.00 C ATOM 820 OG SER A 55 -19.366 9.688 -17.269 1.00 0.00 O ATOM 0 H SER A 55 -21.073 7.180 -15.079 1.00 0.00 H new ATOM 0 HA SER A 55 -20.323 9.968 -15.051 1.00 0.00 H new ATOM 0 HB2 SER A 55 -19.986 7.790 -16.771 1.00 0.00 H new ATOM 0 HB3 SER A 55 -21.175 8.767 -17.608 1.00 0.00 H new ATOM 0 HG SER A 55 -19.003 9.390 -18.129 1.00 0.00 H new ATOM 826 N LEU A 56 -23.395 9.054 -15.647 1.00 0.00 N ATOM 827 CA LEU A 56 -24.758 9.539 -15.833 1.00 0.00 C ATOM 828 C LEU A 56 -25.526 9.522 -14.516 1.00 0.00 C ATOM 829 O LEU A 56 -26.756 9.474 -14.503 1.00 0.00 O ATOM 830 CB LEU A 56 -25.487 8.685 -16.872 1.00 0.00 C ATOM 831 CG LEU A 56 -24.725 8.413 -18.170 1.00 0.00 C ATOM 832 CD1 LEU A 56 -25.495 7.435 -19.045 1.00 0.00 C ATOM 833 CD2 LEU A 56 -24.467 9.712 -18.919 1.00 0.00 C ATOM 0 H LEU A 56 -23.325 8.054 -15.456 1.00 0.00 H new ATOM 0 HA LEU A 56 -24.706 10.568 -16.189 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -25.739 7.728 -16.415 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -26.427 9.176 -17.122 1.00 0.00 H new ATOM 0 HG LEU A 56 -23.764 7.965 -17.918 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -24.938 7.253 -19.964 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -25.629 6.495 -18.510 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -26.471 7.855 -19.289 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -23.924 9.499 -19.840 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -25.418 10.188 -19.160 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -23.874 10.381 -18.294 1.00 0.00 H new ATOM 845 N GLY A 57 -24.792 9.565 -13.408 1.00 0.00 N ATOM 846 CA GLY A 57 -25.422 9.555 -12.100 1.00 0.00 C ATOM 847 C GLY A 57 -25.459 10.931 -11.465 1.00 0.00 C ATOM 848 O GLY A 57 -25.841 11.077 -10.304 1.00 0.00 O ATOM 0 H GLY A 57 -23.773 9.607 -13.393 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -26.439 9.173 -12.193 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -24.883 8.870 -11.445 1.00 0.00 H new ATOM 852 N VAL A 58 -25.061 11.945 -12.228 1.00 0.00 N ATOM 853 CA VAL A 58 -25.050 13.316 -11.733 1.00 0.00 C ATOM 854 C VAL A 58 -26.008 14.195 -12.528 1.00 0.00 C ATOM 855 O VAL A 58 -26.394 15.275 -12.080 1.00 0.00 O ATOM 856 CB VAL A 58 -23.637 13.925 -11.799 1.00 0.00 C ATOM 857 CG1 VAL A 58 -22.716 13.250 -10.793 1.00 0.00 C ATOM 858 CG2 VAL A 58 -23.074 13.813 -13.208 1.00 0.00 C ATOM 0 H VAL A 58 -24.742 11.842 -13.191 1.00 0.00 H new ATOM 0 HA VAL A 58 -25.374 13.280 -10.693 1.00 0.00 H new ATOM 0 HB VAL A 58 -23.704 14.982 -11.542 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -21.722 13.694 -10.855 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -23.113 13.387 -9.787 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -22.652 12.185 -11.016 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -22.075 14.248 -13.236 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -23.021 12.763 -13.496 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -23.722 14.347 -13.902 1.00 0.00 H new ATOM 868 N LEU A 59 -26.389 13.726 -13.711 1.00 0.00 N ATOM 869 CA LEU A 59 -27.304 14.469 -14.570 1.00 0.00 C ATOM 870 C LEU A 59 -28.754 14.114 -14.258 1.00 0.00 C ATOM 871 O LEU A 59 -29.085 12.949 -14.040 1.00 0.00 O ATOM 872 CB LEU A 59 -27.002 14.179 -16.042 1.00 0.00 C ATOM 873 CG LEU A 59 -25.682 14.735 -16.578 1.00 0.00 C ATOM 874 CD1 LEU A 59 -25.533 14.421 -18.059 1.00 0.00 C ATOM 875 CD2 LEU A 59 -25.600 16.236 -16.339 1.00 0.00 C ATOM 0 H LEU A 59 -26.078 12.835 -14.097 1.00 0.00 H new ATOM 0 HA LEU A 59 -27.160 15.532 -14.378 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -27.004 13.099 -16.187 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -27.815 14.583 -16.645 1.00 0.00 H new ATOM 0 HG LEU A 59 -24.863 14.256 -16.041 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -24.588 14.824 -18.423 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -25.547 13.341 -18.205 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -26.357 14.873 -18.611 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -24.654 16.615 -16.727 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -26.426 16.731 -16.849 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -25.661 16.438 -15.270 1.00 0.00 H new ATOM 887 N ASN A 60 -29.615 15.126 -14.239 1.00 0.00 N ATOM 888 CA ASN A 60 -31.030 14.921 -13.955 1.00 0.00 C ATOM 889 C ASN A 60 -31.738 14.285 -15.148 1.00 0.00 C ATOM 890 O ASN A 60 -31.204 14.255 -16.256 1.00 0.00 O ATOM 891 CB ASN A 60 -31.699 16.251 -13.601 1.00 0.00 C ATOM 892 CG ASN A 60 -31.463 17.315 -14.655 1.00 0.00 C ATOM 893 OD1 ASN A 60 -32.058 17.281 -15.732 1.00 0.00 O ATOM 894 ND2 ASN A 60 -30.590 18.268 -14.348 1.00 0.00 N ATOM 0 H ASN A 60 -29.357 16.097 -14.417 1.00 0.00 H new ATOM 0 HA ASN A 60 -31.109 14.244 -13.104 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -32.771 16.095 -13.480 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -31.318 16.602 -12.642 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -30.390 19.011 -15.017 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -30.120 18.257 -13.443 1.00 0.00 H new ATOM 901 N GLY A 61 -32.944 13.777 -14.912 1.00 0.00 N ATOM 902 CA GLY A 61 -33.705 13.148 -15.975 1.00 0.00 C ATOM 903 C GLY A 61 -33.820 14.029 -17.204 1.00 0.00 C ATOM 904 O GLY A 61 -33.760 13.541 -18.333 1.00 0.00 O ATOM 0 H GLY A 61 -33.407 13.790 -14.003 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -33.230 12.206 -16.250 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -34.703 12.907 -15.610 1.00 0.00 H new ATOM 908 N ALA A 62 -33.988 15.329 -16.985 1.00 0.00 N ATOM 909 CA ALA A 62 -34.112 16.279 -18.084 1.00 0.00 C ATOM 910 C ALA A 62 -32.874 16.253 -18.974 1.00 0.00 C ATOM 911 O ALA A 62 -32.972 16.035 -20.181 1.00 0.00 O ATOM 912 CB ALA A 62 -34.347 17.682 -17.544 1.00 0.00 C ATOM 0 H ALA A 62 -34.041 15.748 -16.057 1.00 0.00 H new ATOM 0 HA ALA A 62 -34.969 15.986 -18.690 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -34.438 18.381 -18.375 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -35.265 17.697 -16.956 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -33.507 17.975 -16.914 1.00 0.00 H new ATOM 918 N GLN A 63 -31.711 16.476 -18.369 1.00 0.00 N ATOM 919 CA GLN A 63 -30.455 16.480 -19.109 1.00 0.00 C ATOM 920 C GLN A 63 -30.214 15.131 -19.780 1.00 0.00 C ATOM 921 O GLN A 63 -29.906 15.064 -20.970 1.00 0.00 O ATOM 922 CB GLN A 63 -29.290 16.813 -18.175 1.00 0.00 C ATOM 923 CG GLN A 63 -29.382 18.200 -17.559 1.00 0.00 C ATOM 924 CD GLN A 63 -28.406 19.180 -18.180 1.00 0.00 C ATOM 925 OE1 GLN A 63 -27.679 19.881 -17.475 1.00 0.00 O ATOM 926 NE2 GLN A 63 -28.385 19.235 -19.506 1.00 0.00 N ATOM 0 H GLN A 63 -31.613 16.656 -17.370 1.00 0.00 H new ATOM 0 HA GLN A 63 -30.521 17.244 -19.884 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -29.252 16.072 -17.377 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -28.355 16.732 -18.730 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -30.397 18.579 -17.677 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -29.190 18.131 -16.488 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -29.005 18.636 -20.051 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -27.749 19.876 -19.980 1.00 0.00 H new ATOM 935 N LEU A 64 -30.357 14.059 -19.008 1.00 0.00 N ATOM 936 CA LEU A 64 -30.154 12.711 -19.528 1.00 0.00 C ATOM 937 C LEU A 64 -31.061 12.447 -20.725 1.00 0.00 C ATOM 938 O LEU A 64 -30.659 11.798 -21.691 1.00 0.00 O ATOM 939 CB LEU A 64 -30.422 11.676 -18.433 1.00 0.00 C ATOM 940 CG LEU A 64 -30.363 10.211 -18.866 1.00 0.00 C ATOM 941 CD1 LEU A 64 -29.484 9.409 -17.919 1.00 0.00 C ATOM 942 CD2 LEU A 64 -31.762 9.617 -18.929 1.00 0.00 C ATOM 0 H LEU A 64 -30.612 14.097 -18.021 1.00 0.00 H new ATOM 0 HA LEU A 64 -29.118 12.626 -19.855 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -29.697 11.827 -17.633 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -31.408 11.870 -18.011 1.00 0.00 H new ATOM 0 HG LEU A 64 -29.925 10.164 -19.863 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -29.454 8.369 -18.243 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -28.474 9.820 -17.924 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -29.893 9.463 -16.910 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -31.701 8.574 -19.239 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -32.227 9.677 -17.945 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -32.362 10.174 -19.648 1.00 0.00 H new ATOM 954 N PHE A 65 -32.287 12.956 -20.656 1.00 0.00 N ATOM 955 CA PHE A 65 -33.251 12.776 -21.735 1.00 0.00 C ATOM 956 C PHE A 65 -32.787 13.486 -23.004 1.00 0.00 C ATOM 957 O PHE A 65 -33.202 13.139 -24.109 1.00 0.00 O ATOM 958 CB PHE A 65 -34.624 13.306 -21.315 1.00 0.00 C ATOM 959 CG PHE A 65 -35.462 12.291 -20.591 1.00 0.00 C ATOM 960 CD1 PHE A 65 -34.869 11.319 -19.802 1.00 0.00 C ATOM 961 CD2 PHE A 65 -36.843 12.309 -20.700 1.00 0.00 C ATOM 962 CE1 PHE A 65 -35.637 10.384 -19.134 1.00 0.00 C ATOM 963 CE2 PHE A 65 -37.617 11.377 -20.034 1.00 0.00 C ATOM 964 CZ PHE A 65 -37.013 10.413 -19.251 1.00 0.00 C ATOM 0 H PHE A 65 -32.636 13.496 -19.864 1.00 0.00 H new ATOM 0 HA PHE A 65 -33.329 11.709 -21.944 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -34.488 14.177 -20.674 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -35.161 13.643 -22.201 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -33.793 11.291 -19.708 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -37.320 13.060 -21.312 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -35.162 9.632 -18.522 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -38.693 11.403 -20.126 1.00 0.00 H new ATOM 0 HZ PHE A 65 -37.616 9.683 -18.731 1.00 0.00 H new ATOM 974 N SER A 66 -31.923 14.482 -22.835 1.00 0.00 N ATOM 975 CA SER A 66 -31.405 15.244 -23.965 1.00 0.00 C ATOM 976 C SER A 66 -30.317 14.462 -24.694 1.00 0.00 C ATOM 977 O SER A 66 -30.133 14.612 -25.903 1.00 0.00 O ATOM 978 CB SER A 66 -30.850 16.588 -23.489 1.00 0.00 C ATOM 979 OG SER A 66 -30.882 17.550 -24.529 1.00 0.00 O ATOM 0 H SER A 66 -31.567 14.780 -21.927 1.00 0.00 H new ATOM 0 HA SER A 66 -32.227 15.423 -24.658 1.00 0.00 H new ATOM 0 HB2 SER A 66 -31.433 16.946 -22.640 1.00 0.00 H new ATOM 0 HB3 SER A 66 -29.825 16.459 -23.140 1.00 0.00 H new ATOM 0 HG SER A 66 -30.524 18.400 -24.199 1.00 0.00 H new ATOM 985 N LEU A 67 -29.599 13.627 -23.952 1.00 0.00 N ATOM 986 CA LEU A 67 -28.529 12.819 -24.527 1.00 0.00 C ATOM 987 C LEU A 67 -29.095 11.725 -25.427 1.00 0.00 C ATOM 988 O LEU A 67 -29.900 10.904 -24.990 1.00 0.00 O ATOM 989 CB LEU A 67 -27.682 12.195 -23.417 1.00 0.00 C ATOM 990 CG LEU A 67 -27.111 13.165 -22.382 1.00 0.00 C ATOM 991 CD1 LEU A 67 -26.336 12.410 -21.313 1.00 0.00 C ATOM 992 CD2 LEU A 67 -26.223 14.201 -23.055 1.00 0.00 C ATOM 0 H LEU A 67 -29.738 13.491 -22.951 1.00 0.00 H new ATOM 0 HA LEU A 67 -27.900 13.472 -25.132 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -28.290 11.456 -22.896 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -26.853 11.658 -23.878 1.00 0.00 H new ATOM 0 HG LEU A 67 -27.941 13.684 -21.902 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -25.937 13.117 -20.585 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -27.000 11.707 -20.810 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -25.514 11.864 -21.777 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -25.825 14.883 -22.303 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -25.399 13.699 -23.562 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -26.808 14.764 -23.782 1.00 0.00 H new ATOM 1004 N ASN A 68 -28.666 11.720 -26.685 1.00 0.00 N ATOM 1005 CA ASN A 68 -29.129 10.726 -27.646 1.00 0.00 C ATOM 1006 C ASN A 68 -28.174 9.538 -27.702 1.00 0.00 C ATOM 1007 O ASN A 68 -27.259 9.423 -26.886 1.00 0.00 O ATOM 1008 CB ASN A 68 -29.264 11.353 -29.035 1.00 0.00 C ATOM 1009 CG ASN A 68 -29.585 12.834 -28.972 1.00 0.00 C ATOM 1010 OD1 ASN A 68 -30.734 13.222 -28.760 1.00 0.00 O ATOM 1011 ND2 ASN A 68 -28.568 13.668 -29.157 1.00 0.00 N ATOM 0 H ASN A 68 -27.999 12.393 -27.062 1.00 0.00 H new ATOM 0 HA ASN A 68 -30.106 10.369 -27.320 1.00 0.00 H new ATOM 0 HB2 ASN A 68 -28.336 11.208 -29.588 1.00 0.00 H new ATOM 0 HB3 ASN A 68 -30.048 10.837 -29.589 1.00 0.00 H new ATOM 0 HD21 ASN A 68 -28.723 14.676 -29.126 1.00 0.00 H new ATOM 0 HD22 ASN A 68 -27.632 13.301 -29.330 1.00 0.00 H new ATOM 1018 N LYS A 69 -28.392 8.656 -28.672 1.00 0.00 N ATOM 1019 CA LYS A 69 -27.550 7.477 -28.838 1.00 0.00 C ATOM 1020 C LYS A 69 -26.091 7.874 -29.039 1.00 0.00 C ATOM 1021 O LYS A 69 -25.182 7.084 -28.783 1.00 0.00 O ATOM 1022 CB LYS A 69 -28.032 6.644 -30.028 1.00 0.00 C ATOM 1023 CG LYS A 69 -27.556 5.202 -29.995 1.00 0.00 C ATOM 1024 CD LYS A 69 -27.856 4.486 -31.301 1.00 0.00 C ATOM 1025 CE LYS A 69 -27.491 3.011 -31.223 1.00 0.00 C ATOM 1026 NZ LYS A 69 -27.862 2.282 -32.468 1.00 0.00 N ATOM 0 H LYS A 69 -29.145 8.736 -29.355 1.00 0.00 H new ATOM 0 HA LYS A 69 -27.623 6.878 -27.930 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -29.122 6.657 -30.052 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -27.687 7.111 -30.951 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -26.483 5.176 -29.803 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -28.040 4.677 -29.172 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -28.915 4.588 -31.539 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -27.301 4.957 -32.112 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -26.420 2.911 -31.049 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -27.997 2.556 -30.371 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -27.597 1.280 -32.376 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -28.888 2.356 -32.621 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -27.360 2.700 -33.277 1.00 0.00 H new ATOM 1040 N ASP A 70 -25.875 9.101 -29.498 1.00 0.00 N ATOM 1041 CA ASP A 70 -24.526 9.604 -29.730 1.00 0.00 C ATOM 1042 C ASP A 70 -23.929 10.173 -28.447 1.00 0.00 C ATOM 1043 O ASP A 70 -22.904 9.695 -27.963 1.00 0.00 O ATOM 1044 CB ASP A 70 -24.539 10.676 -30.821 1.00 0.00 C ATOM 1045 CG ASP A 70 -23.532 10.397 -31.920 1.00 0.00 C ATOM 1046 OD1 ASP A 70 -22.340 10.216 -31.599 1.00 0.00 O ATOM 1047 OD2 ASP A 70 -23.937 10.361 -33.101 1.00 0.00 O ATOM 0 H ASP A 70 -26.617 9.766 -29.717 1.00 0.00 H new ATOM 0 HA ASP A 70 -23.906 8.770 -30.058 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -25.537 10.737 -31.254 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -24.325 11.647 -30.375 1.00 0.00 H new ATOM 1052 N GLU A 71 -24.577 11.198 -27.902 1.00 0.00 N ATOM 1053 CA GLU A 71 -24.109 11.833 -26.676 1.00 0.00 C ATOM 1054 C GLU A 71 -23.873 10.795 -25.582 1.00 0.00 C ATOM 1055 O GLU A 71 -22.879 10.857 -24.856 1.00 0.00 O ATOM 1056 CB GLU A 71 -25.121 12.875 -26.196 1.00 0.00 C ATOM 1057 CG GLU A 71 -25.180 14.115 -27.073 1.00 0.00 C ATOM 1058 CD GLU A 71 -24.637 15.348 -26.377 1.00 0.00 C ATOM 1059 OE1 GLU A 71 -25.204 15.741 -25.336 1.00 0.00 O ATOM 1060 OE2 GLU A 71 -23.644 15.919 -26.874 1.00 0.00 O ATOM 0 H GLU A 71 -25.427 11.606 -28.290 1.00 0.00 H new ATOM 0 HA GLU A 71 -23.163 12.329 -26.893 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -26.110 12.419 -26.159 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -24.869 13.172 -25.178 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -24.611 13.937 -27.986 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -26.213 14.296 -27.371 1.00 0.00 H new ATOM 1067 N LEU A 72 -24.792 9.844 -25.469 1.00 0.00 N ATOM 1068 CA LEU A 72 -24.686 8.792 -24.464 1.00 0.00 C ATOM 1069 C LEU A 72 -23.546 7.835 -24.795 1.00 0.00 C ATOM 1070 O LEU A 72 -22.851 7.349 -23.903 1.00 0.00 O ATOM 1071 CB LEU A 72 -26.003 8.020 -24.363 1.00 0.00 C ATOM 1072 CG LEU A 72 -27.079 8.642 -23.473 1.00 0.00 C ATOM 1073 CD1 LEU A 72 -28.461 8.407 -24.063 1.00 0.00 C ATOM 1074 CD2 LEU A 72 -26.997 8.077 -22.062 1.00 0.00 C ATOM 0 H LEU A 72 -25.620 9.779 -26.061 1.00 0.00 H new ATOM 0 HA LEU A 72 -24.474 9.262 -23.504 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -26.412 7.906 -25.367 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -25.786 7.019 -23.991 1.00 0.00 H new ATOM 0 HG LEU A 72 -26.905 9.717 -23.423 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -29.214 8.857 -23.416 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -28.516 8.860 -25.053 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -28.645 7.336 -24.144 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -27.770 8.531 -21.443 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -27.145 6.997 -22.093 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -26.017 8.297 -21.638 1.00 0.00 H new ATOM 1086 N ARG A 73 -23.359 7.570 -26.084 1.00 0.00 N ATOM 1087 CA ARG A 73 -22.303 6.671 -26.534 1.00 0.00 C ATOM 1088 C ARG A 73 -20.927 7.286 -26.294 1.00 0.00 C ATOM 1089 O ARG A 73 -19.931 6.574 -26.158 1.00 0.00 O ATOM 1090 CB ARG A 73 -22.476 6.348 -28.019 1.00 0.00 C ATOM 1091 CG ARG A 73 -21.309 5.580 -28.616 1.00 0.00 C ATOM 1092 CD ARG A 73 -21.769 4.631 -29.712 1.00 0.00 C ATOM 1093 NE ARG A 73 -20.789 3.579 -29.972 1.00 0.00 N ATOM 1094 CZ ARG A 73 -19.646 3.782 -30.616 1.00 0.00 C ATOM 1095 NH1 ARG A 73 -19.339 4.992 -31.064 1.00 0.00 N ATOM 1096 NH2 ARG A 73 -18.806 2.774 -30.813 1.00 0.00 N ATOM 0 H ARG A 73 -23.925 7.965 -26.835 1.00 0.00 H new ATOM 0 HA ARG A 73 -22.376 5.749 -25.958 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -23.388 5.766 -28.152 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -22.608 7.278 -28.571 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -20.580 6.281 -29.023 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -20.805 5.015 -27.832 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -22.719 4.179 -29.425 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -21.948 5.194 -30.628 1.00 0.00 H new ATOM 0 HE ARG A 73 -20.994 2.637 -29.640 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -19.982 5.770 -30.914 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -18.460 5.145 -31.558 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -19.038 1.842 -30.470 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -17.928 2.931 -31.308 1.00 0.00 H new ATOM 1110 N THR A 74 -20.878 8.614 -26.243 1.00 0.00 N ATOM 1111 CA THR A 74 -19.626 9.325 -26.022 1.00 0.00 C ATOM 1112 C THR A 74 -19.245 9.321 -24.545 1.00 0.00 C ATOM 1113 O THR A 74 -18.106 9.023 -24.188 1.00 0.00 O ATOM 1114 CB THR A 74 -19.712 10.782 -26.514 1.00 0.00 C ATOM 1115 OG1 THR A 74 -21.079 11.142 -26.741 1.00 0.00 O ATOM 1116 CG2 THR A 74 -18.914 10.968 -27.796 1.00 0.00 C ATOM 0 H THR A 74 -21.692 9.218 -26.352 1.00 0.00 H new ATOM 0 HA THR A 74 -18.860 8.801 -26.594 1.00 0.00 H new ATOM 0 HB THR A 74 -19.289 11.428 -25.744 1.00 0.00 H new ATOM 0 HG1 THR A 74 -21.513 11.337 -25.884 1.00 0.00 H new ATOM 0 HG21 THR A 74 -18.990 12.005 -28.124 1.00 0.00 H new ATOM 0 HG22 THR A 74 -17.868 10.721 -27.613 1.00 0.00 H new ATOM 0 HG23 THR A 74 -19.312 10.312 -28.570 1.00 0.00 H new ATOM 1124 N VAL A 75 -20.207 9.655 -23.690 1.00 0.00 N ATOM 1125 CA VAL A 75 -19.973 9.688 -22.252 1.00 0.00 C ATOM 1126 C VAL A 75 -19.661 8.297 -21.713 1.00 0.00 C ATOM 1127 O VAL A 75 -18.834 8.139 -20.813 1.00 0.00 O ATOM 1128 CB VAL A 75 -21.190 10.257 -21.498 1.00 0.00 C ATOM 1129 CG1 VAL A 75 -22.436 9.441 -21.803 1.00 0.00 C ATOM 1130 CG2 VAL A 75 -20.920 10.294 -20.002 1.00 0.00 C ATOM 0 H VAL A 75 -21.155 9.906 -23.969 1.00 0.00 H new ATOM 0 HA VAL A 75 -19.115 10.339 -22.087 1.00 0.00 H new ATOM 0 HB VAL A 75 -21.361 11.278 -21.838 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -23.285 9.858 -21.262 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -22.638 9.471 -22.874 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -22.279 8.408 -21.493 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -21.790 10.699 -19.485 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -20.722 9.284 -19.643 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -20.054 10.926 -19.804 1.00 0.00 H new ATOM 1140 N CYS A 76 -20.326 7.290 -22.269 1.00 0.00 N ATOM 1141 CA CYS A 76 -20.119 5.910 -21.845 1.00 0.00 C ATOM 1142 C CYS A 76 -20.236 4.954 -23.028 1.00 0.00 C ATOM 1143 O CYS A 76 -20.901 5.239 -24.024 1.00 0.00 O ATOM 1144 CB CYS A 76 -21.133 5.530 -20.764 1.00 0.00 C ATOM 1145 SG CYS A 76 -22.858 5.703 -21.277 1.00 0.00 S ATOM 0 H CYS A 76 -21.013 7.404 -23.014 1.00 0.00 H new ATOM 0 HA CYS A 76 -19.113 5.829 -21.434 1.00 0.00 H new ATOM 0 HB2 CYS A 76 -20.957 4.498 -20.462 1.00 0.00 H new ATOM 0 HB3 CYS A 76 -20.962 6.152 -19.886 1.00 0.00 H new ATOM 0 HG CYS A 76 -22.916 6.391 -22.379 1.00 0.00 H new ATOM 1151 N PRO A 77 -19.574 3.793 -22.918 1.00 0.00 N ATOM 1152 CA PRO A 77 -19.587 2.772 -23.970 1.00 0.00 C ATOM 1153 C PRO A 77 -20.947 2.096 -24.104 1.00 0.00 C ATOM 1154 O PRO A 77 -21.272 1.538 -25.152 1.00 0.00 O ATOM 1155 CB PRO A 77 -18.534 1.765 -23.500 1.00 0.00 C ATOM 1156 CG PRO A 77 -18.483 1.933 -22.020 1.00 0.00 C ATOM 1157 CD PRO A 77 -18.762 3.388 -21.759 1.00 0.00 C ATOM 0 HA PRO A 77 -19.382 3.197 -24.953 1.00 0.00 H new ATOM 0 HB2 PRO A 77 -18.810 0.747 -23.774 1.00 0.00 H new ATOM 0 HB3 PRO A 77 -17.564 1.965 -23.955 1.00 0.00 H new ATOM 0 HG2 PRO A 77 -19.222 1.300 -21.530 1.00 0.00 H new ATOM 0 HG3 PRO A 77 -17.507 1.646 -21.628 1.00 0.00 H new ATOM 0 HD2 PRO A 77 -19.299 3.532 -20.822 1.00 0.00 H new ATOM 0 HD3 PRO A 77 -17.841 3.968 -21.691 1.00 0.00 H new ATOM 1165 N GLU A 78 -21.738 2.151 -23.037 1.00 0.00 N ATOM 1166 CA GLU A 78 -23.064 1.543 -23.038 1.00 0.00 C ATOM 1167 C GLU A 78 -24.134 2.571 -23.392 1.00 0.00 C ATOM 1168 O GLU A 78 -25.307 2.401 -23.062 1.00 0.00 O ATOM 1169 CB GLU A 78 -23.367 0.925 -21.671 1.00 0.00 C ATOM 1170 CG GLU A 78 -22.356 -0.125 -21.241 1.00 0.00 C ATOM 1171 CD GLU A 78 -22.152 -1.202 -22.288 1.00 0.00 C ATOM 1172 OE1 GLU A 78 -23.130 -1.909 -22.611 1.00 0.00 O ATOM 1173 OE2 GLU A 78 -21.014 -1.339 -22.785 1.00 0.00 O ATOM 0 H GLU A 78 -21.484 2.610 -22.162 1.00 0.00 H new ATOM 0 HA GLU A 78 -23.075 0.758 -23.794 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -23.397 1.717 -20.922 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -24.359 0.473 -21.697 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -21.402 0.359 -21.032 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -22.690 -0.586 -20.311 1.00 0.00 H new ATOM 1180 N GLY A 79 -23.720 3.640 -24.066 1.00 0.00 N ATOM 1181 CA GLY A 79 -24.654 4.681 -24.453 1.00 0.00 C ATOM 1182 C GLY A 79 -25.815 4.144 -25.267 1.00 0.00 C ATOM 1183 O GLY A 79 -26.974 4.299 -24.883 1.00 0.00 O ATOM 0 H GLY A 79 -22.754 3.803 -24.351 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -25.038 5.172 -23.559 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -24.128 5.440 -25.032 1.00 0.00 H new ATOM 1187 N ALA A 80 -25.504 3.513 -26.394 1.00 0.00 N ATOM 1188 CA ALA A 80 -26.531 2.951 -27.263 1.00 0.00 C ATOM 1189 C ALA A 80 -27.485 2.057 -26.479 1.00 0.00 C ATOM 1190 O ALA A 80 -28.660 1.931 -26.826 1.00 0.00 O ATOM 1191 CB ALA A 80 -25.890 2.172 -28.402 1.00 0.00 C ATOM 0 H ALA A 80 -24.549 3.378 -26.727 1.00 0.00 H new ATOM 0 HA ALA A 80 -27.109 3.775 -27.681 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -26.668 1.758 -29.043 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -25.255 2.838 -28.986 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -25.287 1.361 -27.994 1.00 0.00 H new ATOM 1197 N ARG A 81 -26.973 1.436 -25.421 1.00 0.00 N ATOM 1198 CA ARG A 81 -27.779 0.551 -24.589 1.00 0.00 C ATOM 1199 C ARG A 81 -28.645 1.354 -23.622 1.00 0.00 C ATOM 1200 O ARG A 81 -29.765 0.958 -23.300 1.00 0.00 O ATOM 1201 CB ARG A 81 -26.880 -0.409 -23.808 1.00 0.00 C ATOM 1202 CG ARG A 81 -26.035 -1.308 -24.695 1.00 0.00 C ATOM 1203 CD ARG A 81 -26.811 -2.536 -25.146 1.00 0.00 C ATOM 1204 NE ARG A 81 -26.017 -3.396 -26.019 1.00 0.00 N ATOM 1205 CZ ARG A 81 -25.712 -3.088 -27.274 1.00 0.00 C ATOM 1206 NH1 ARG A 81 -26.132 -1.947 -27.802 1.00 0.00 N ATOM 1207 NH2 ARG A 81 -24.984 -3.923 -28.005 1.00 0.00 N ATOM 0 H ARG A 81 -26.003 1.530 -25.120 1.00 0.00 H new ATOM 0 HA ARG A 81 -28.433 -0.026 -25.243 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -26.222 0.169 -23.159 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -27.500 -1.030 -23.162 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -25.699 -0.748 -25.568 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -25.142 -1.620 -24.153 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -27.131 -3.103 -24.272 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -27.714 -2.222 -25.670 1.00 0.00 H new ATOM 0 HE ARG A 81 -25.678 -4.282 -25.644 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -26.691 -1.302 -27.244 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -25.896 -1.714 -28.766 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -24.658 -4.802 -27.603 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -24.750 -3.686 -28.969 1.00 0.00 H new ATOM 1221 N VAL A 82 -28.118 2.484 -23.163 1.00 0.00 N ATOM 1222 CA VAL A 82 -28.842 3.343 -22.233 1.00 0.00 C ATOM 1223 C VAL A 82 -29.947 4.116 -22.946 1.00 0.00 C ATOM 1224 O VAL A 82 -31.089 4.149 -22.489 1.00 0.00 O ATOM 1225 CB VAL A 82 -27.897 4.343 -21.540 1.00 0.00 C ATOM 1226 CG1 VAL A 82 -28.672 5.234 -20.582 1.00 0.00 C ATOM 1227 CG2 VAL A 82 -26.783 3.605 -20.813 1.00 0.00 C ATOM 0 H VAL A 82 -27.192 2.826 -23.420 1.00 0.00 H new ATOM 0 HA VAL A 82 -29.285 2.691 -21.480 1.00 0.00 H new ATOM 0 HB VAL A 82 -27.445 4.978 -22.302 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -27.988 5.934 -20.102 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -29.430 5.789 -21.134 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -29.154 4.619 -19.822 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -26.124 4.326 -20.329 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -27.214 2.945 -20.060 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -26.211 3.014 -21.528 1.00 0.00 H new ATOM 1237 N TYR A 83 -29.599 4.735 -24.068 1.00 0.00 N ATOM 1238 CA TYR A 83 -30.560 5.509 -24.844 1.00 0.00 C ATOM 1239 C TYR A 83 -31.796 4.675 -25.167 1.00 0.00 C ATOM 1240 O TYR A 83 -32.927 5.148 -25.047 1.00 0.00 O ATOM 1241 CB TYR A 83 -29.917 6.011 -26.138 1.00 0.00 C ATOM 1242 CG TYR A 83 -30.872 6.764 -27.036 1.00 0.00 C ATOM 1243 CD1 TYR A 83 -31.285 8.053 -26.719 1.00 0.00 C ATOM 1244 CD2 TYR A 83 -31.363 6.187 -28.201 1.00 0.00 C ATOM 1245 CE1 TYR A 83 -32.158 8.745 -27.536 1.00 0.00 C ATOM 1246 CE2 TYR A 83 -32.235 6.872 -29.024 1.00 0.00 C ATOM 1247 CZ TYR A 83 -32.630 8.150 -28.688 1.00 0.00 C ATOM 1248 OH TYR A 83 -33.500 8.835 -29.505 1.00 0.00 O ATOM 0 H TYR A 83 -28.658 4.716 -24.461 1.00 0.00 H new ATOM 0 HA TYR A 83 -30.868 6.365 -24.244 1.00 0.00 H new ATOM 0 HB2 TYR A 83 -29.078 6.660 -25.889 1.00 0.00 H new ATOM 0 HB3 TYR A 83 -29.511 5.161 -26.686 1.00 0.00 H new ATOM 0 HD1 TYR A 83 -30.917 8.522 -25.818 1.00 0.00 H new ATOM 0 HD2 TYR A 83 -31.057 5.186 -28.467 1.00 0.00 H new ATOM 0 HE1 TYR A 83 -32.469 9.746 -27.275 1.00 0.00 H new ATOM 0 HE2 TYR A 83 -32.606 6.409 -29.927 1.00 0.00 H new ATOM 0 HH TYR A 83 -33.735 8.276 -30.274 1.00 0.00 H new ATOM 1258 N SER A 84 -31.572 3.431 -25.578 1.00 0.00 N ATOM 1259 CA SER A 84 -32.667 2.531 -25.923 1.00 0.00 C ATOM 1260 C SER A 84 -33.609 2.343 -24.737 1.00 0.00 C ATOM 1261 O SER A 84 -34.773 1.984 -24.908 1.00 0.00 O ATOM 1262 CB SER A 84 -32.118 1.176 -26.372 1.00 0.00 C ATOM 1263 OG SER A 84 -33.113 0.418 -27.037 1.00 0.00 O ATOM 0 H SER A 84 -30.643 3.023 -25.680 1.00 0.00 H new ATOM 0 HA SER A 84 -33.228 2.978 -26.744 1.00 0.00 H new ATOM 0 HB2 SER A 84 -31.267 1.327 -27.036 1.00 0.00 H new ATOM 0 HB3 SER A 84 -31.753 0.623 -25.506 1.00 0.00 H new ATOM 0 HG SER A 84 -32.737 -0.443 -27.315 1.00 0.00 H new ATOM 1269 N GLN A 85 -33.095 2.588 -23.536 1.00 0.00 N ATOM 1270 CA GLN A 85 -33.890 2.445 -22.322 1.00 0.00 C ATOM 1271 C GLN A 85 -34.572 3.760 -21.961 1.00 0.00 C ATOM 1272 O GLN A 85 -35.586 3.772 -21.261 1.00 0.00 O ATOM 1273 CB GLN A 85 -33.008 1.979 -21.162 1.00 0.00 C ATOM 1274 CG GLN A 85 -32.797 0.474 -21.126 1.00 0.00 C ATOM 1275 CD GLN A 85 -34.102 -0.298 -21.108 1.00 0.00 C ATOM 1276 OE1 GLN A 85 -34.709 -0.490 -20.054 1.00 0.00 O ATOM 1277 NE2 GLN A 85 -34.541 -0.746 -22.278 1.00 0.00 N ATOM 0 H GLN A 85 -32.132 2.886 -23.378 1.00 0.00 H new ATOM 0 HA GLN A 85 -34.660 1.696 -22.507 1.00 0.00 H new ATOM 0 HB2 GLN A 85 -32.038 2.472 -21.233 1.00 0.00 H new ATOM 0 HB3 GLN A 85 -33.460 2.297 -20.222 1.00 0.00 H new ATOM 0 HG2 GLN A 85 -32.213 0.172 -21.995 1.00 0.00 H new ATOM 0 HG3 GLN A 85 -32.213 0.214 -20.243 1.00 0.00 H new ATOM 0 HE21 GLN A 85 -34.006 -0.564 -23.127 1.00 0.00 H new ATOM 0 HE22 GLN A 85 -35.413 -1.272 -22.328 1.00 0.00 H new ATOM 1286 N ILE A 86 -34.011 4.864 -22.441 1.00 0.00 N ATOM 1287 CA ILE A 86 -34.567 6.184 -22.169 1.00 0.00 C ATOM 1288 C ILE A 86 -35.624 6.559 -23.202 1.00 0.00 C ATOM 1289 O ILE A 86 -36.591 7.256 -22.892 1.00 0.00 O ATOM 1290 CB ILE A 86 -33.470 7.265 -22.157 1.00 0.00 C ATOM 1291 CG1 ILE A 86 -32.402 6.927 -21.115 1.00 0.00 C ATOM 1292 CG2 ILE A 86 -34.077 8.632 -21.877 1.00 0.00 C ATOM 1293 CD1 ILE A 86 -31.087 7.638 -21.346 1.00 0.00 C ATOM 0 H ILE A 86 -33.172 4.871 -23.020 1.00 0.00 H new ATOM 0 HA ILE A 86 -35.028 6.135 -21.183 1.00 0.00 H new ATOM 0 HB ILE A 86 -32.997 7.293 -23.139 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -32.777 7.186 -20.125 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -32.230 5.851 -21.119 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -33.289 9.386 -21.872 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -34.804 8.873 -22.652 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -34.573 8.618 -20.906 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -30.377 7.351 -20.570 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -30.690 7.360 -22.322 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -31.245 8.716 -21.312 1.00 0.00 H new ATOM 1305 N THR A 87 -35.435 6.091 -24.431 1.00 0.00 N ATOM 1306 CA THR A 87 -36.372 6.376 -25.510 1.00 0.00 C ATOM 1307 C THR A 87 -37.792 5.976 -25.126 1.00 0.00 C ATOM 1308 O THR A 87 -38.757 6.649 -25.487 1.00 0.00 O ATOM 1309 CB THR A 87 -35.977 5.642 -26.806 1.00 0.00 C ATOM 1310 OG1 THR A 87 -36.915 5.944 -27.845 1.00 0.00 O ATOM 1311 CG2 THR A 87 -35.927 4.138 -26.582 1.00 0.00 C ATOM 0 H THR A 87 -34.641 5.512 -24.704 1.00 0.00 H new ATOM 0 HA THR A 87 -36.335 7.451 -25.684 1.00 0.00 H new ATOM 0 HB THR A 87 -34.985 5.982 -27.103 1.00 0.00 H new ATOM 0 HG1 THR A 87 -36.656 5.475 -28.666 1.00 0.00 H new ATOM 0 HG21 THR A 87 -35.646 3.641 -27.511 1.00 0.00 H new ATOM 0 HG22 THR A 87 -35.191 3.909 -25.811 1.00 0.00 H new ATOM 0 HG23 THR A 87 -36.908 3.785 -26.264 1.00 0.00 H new ATOM 1319 N VAL A 88 -37.913 4.875 -24.390 1.00 0.00 N ATOM 1320 CA VAL A 88 -39.215 4.386 -23.955 1.00 0.00 C ATOM 1321 C VAL A 88 -39.835 5.319 -22.921 1.00 0.00 C ATOM 1322 O VAL A 88 -41.055 5.368 -22.767 1.00 0.00 O ATOM 1323 CB VAL A 88 -39.112 2.970 -23.357 1.00 0.00 C ATOM 1324 CG1 VAL A 88 -38.238 2.978 -22.113 1.00 0.00 C ATOM 1325 CG2 VAL A 88 -40.496 2.423 -23.043 1.00 0.00 C ATOM 0 H VAL A 88 -37.125 4.305 -24.083 1.00 0.00 H new ATOM 0 HA VAL A 88 -39.852 4.353 -24.839 1.00 0.00 H new ATOM 0 HB VAL A 88 -38.646 2.316 -24.094 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -38.177 1.969 -21.705 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -37.238 3.325 -22.373 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -38.671 3.645 -21.368 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -40.405 1.422 -22.621 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -40.991 3.076 -22.324 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -41.086 2.379 -23.958 1.00 0.00 H new ATOM 1335 N GLN A 89 -38.986 6.058 -22.214 1.00 0.00 N ATOM 1336 CA GLN A 89 -39.450 6.989 -21.193 1.00 0.00 C ATOM 1337 C GLN A 89 -39.905 8.303 -21.822 1.00 0.00 C ATOM 1338 O GLN A 89 -40.965 8.831 -21.485 1.00 0.00 O ATOM 1339 CB GLN A 89 -38.342 7.255 -20.173 1.00 0.00 C ATOM 1340 CG GLN A 89 -37.686 5.990 -19.644 1.00 0.00 C ATOM 1341 CD GLN A 89 -38.673 5.059 -18.968 1.00 0.00 C ATOM 1342 OE1 GLN A 89 -38.673 3.852 -19.212 1.00 0.00 O ATOM 1343 NE2 GLN A 89 -39.522 5.615 -18.113 1.00 0.00 N ATOM 0 H GLN A 89 -37.973 6.030 -22.330 1.00 0.00 H new ATOM 0 HA GLN A 89 -40.301 6.536 -20.684 1.00 0.00 H new ATOM 0 HB2 GLN A 89 -37.580 7.885 -20.632 1.00 0.00 H new ATOM 0 HB3 GLN A 89 -38.757 7.816 -19.336 1.00 0.00 H new ATOM 0 HG2 GLN A 89 -37.202 5.465 -20.467 1.00 0.00 H new ATOM 0 HG3 GLN A 89 -36.903 6.260 -18.935 1.00 0.00 H new ATOM 0 HE21 GLN A 89 -39.487 6.620 -17.940 1.00 0.00 H new ATOM 0 HE22 GLN A 89 -40.209 5.038 -17.629 1.00 0.00 H new ATOM 1352 N LYS A 90 -39.096 8.826 -22.737 1.00 0.00 N ATOM 1353 CA LYS A 90 -39.414 10.077 -23.414 1.00 0.00 C ATOM 1354 C LYS A 90 -40.700 9.946 -24.224 1.00 0.00 C ATOM 1355 O LYS A 90 -41.524 10.859 -24.250 1.00 0.00 O ATOM 1356 CB LYS A 90 -38.261 10.493 -24.330 1.00 0.00 C ATOM 1357 CG LYS A 90 -37.023 10.953 -23.580 1.00 0.00 C ATOM 1358 CD LYS A 90 -35.763 10.747 -24.404 1.00 0.00 C ATOM 1359 CE LYS A 90 -35.715 11.694 -25.594 1.00 0.00 C ATOM 1360 NZ LYS A 90 -36.457 11.150 -26.765 1.00 0.00 N ATOM 0 H LYS A 90 -38.215 8.402 -23.027 1.00 0.00 H new ATOM 0 HA LYS A 90 -39.561 10.845 -22.654 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -37.996 9.652 -24.971 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -38.599 11.297 -24.983 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -37.123 12.008 -23.324 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -36.939 10.404 -22.642 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -34.886 10.905 -23.776 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -35.721 9.716 -24.756 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -36.140 12.657 -25.310 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -34.677 11.874 -25.873 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -35.912 11.325 -27.633 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -36.595 10.126 -26.644 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -37.383 11.618 -26.837 1.00 0.00 H new