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= -1.04 K(o=0.36,f=-3.7!) USER MOD Set 1.2: A 52 THR OG1 : rot 81:sc= 1.18 USER MOD Set 1.3: A 76 CYS SG : rot -12:sc= 0.221 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= 1 USER MOD Set 3.1: A 29 ASN : amide:sc= -1.7 X(o=-3.9,f=-4) USER MOD Set 3.2: A 89 GLN : amide:sc= -2.22! C(o=-3.9!,f=-5.9!) USER MOD Single : A 32 TYR OH : rot 180:sc= -0.0227 USER MOD Single : A 35 THR OG1 : rot 180:sc= 0.0727 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= -0.0788 X(o=-0.079,f=-0.45) 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= -2.91! C(o=-2.9!,f=-12!) USER MOD Single : A 63 GLN : amide:sc= -0.142 X(o=-0.14,f=0) USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 68 ASN : amide:sc= -0.0641 X(o=-0.064,f=-0.053) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 THR OG1 : rot 77:sc= 0.599 USER MOD Single : A 83 TYR OH : rot 180:sc= 0 USER MOD Single : A 84 SER OG : rot 84:sc= 1.1 USER MOD Single : A 85 GLN : amide:sc= -0.737 K(o=-0.74,f=-2.3) USER MOD Single : A 87 THR OG1 : rot 180:sc= 0 USER MOD Single : A 90 LYS NZ :NH3+ -151:sc= -0.231 (180deg=-1.16) USER MOD ----------------------------------------------------------------- ATOM 390 N ILE A 28 -38.437 1.120 -11.477 1.00 0.00 N ATOM 391 CA ILE A 28 -37.872 2.464 -11.489 1.00 0.00 C ATOM 392 C ILE A 28 -38.118 3.152 -12.828 1.00 0.00 C ATOM 393 O ILE A 28 -38.118 2.509 -13.876 1.00 0.00 O ATOM 394 CB ILE A 28 -36.359 2.442 -11.207 1.00 0.00 C ATOM 395 CG1 ILE A 28 -36.060 1.585 -9.975 1.00 0.00 C ATOM 396 CG2 ILE A 28 -35.835 3.857 -11.013 1.00 0.00 C ATOM 397 CD1 ILE A 28 -36.653 2.135 -8.697 1.00 0.00 C ATOM 0 HA ILE A 28 -38.372 3.023 -10.698 1.00 0.00 H new ATOM 0 HB ILE A 28 -35.851 2.002 -12.065 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -36.445 0.579 -10.141 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -34.980 1.498 -9.857 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -34.764 3.824 -10.814 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -36.019 4.440 -11.915 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -36.346 4.322 -10.170 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -36.401 1.476 -7.866 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -36.249 3.130 -8.507 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -37.737 2.196 -8.796 1.00 0.00 H new ATOM 409 N ASN A 29 -38.326 4.464 -12.783 1.00 0.00 N ATOM 410 CA ASN A 29 -38.572 5.241 -13.993 1.00 0.00 C ATOM 411 C ASN A 29 -38.152 6.695 -13.801 1.00 0.00 C ATOM 412 O ASN A 29 -38.163 7.212 -12.684 1.00 0.00 O ATOM 413 CB ASN A 29 -40.051 5.172 -14.376 1.00 0.00 C ATOM 414 CG ASN A 29 -40.559 3.746 -14.467 1.00 0.00 C ATOM 415 OD1 ASN A 29 -41.120 3.213 -13.510 1.00 0.00 O ATOM 416 ND2 ASN A 29 -40.364 3.121 -15.623 1.00 0.00 N ATOM 0 H ASN A 29 -38.329 5.011 -11.922 1.00 0.00 H new ATOM 0 HA ASN A 29 -37.975 4.812 -14.798 1.00 0.00 H new ATOM 0 HB2 ASN A 29 -40.640 5.718 -13.639 1.00 0.00 H new ATOM 0 HB3 ASN A 29 -40.199 5.669 -15.335 1.00 0.00 H new ATOM 0 HD21 ASN A 29 -40.684 2.160 -15.744 1.00 0.00 H new ATOM 0 HD22 ASN A 29 -39.894 3.602 -16.390 1.00 0.00 H new ATOM 423 N ILE A 30 -37.783 7.348 -14.898 1.00 0.00 N ATOM 424 CA ILE A 30 -37.361 8.742 -14.850 1.00 0.00 C ATOM 425 C ILE A 30 -38.155 9.591 -15.838 1.00 0.00 C ATOM 426 O ILE A 30 -38.689 9.081 -16.824 1.00 0.00 O ATOM 427 CB ILE A 30 -35.859 8.887 -15.159 1.00 0.00 C ATOM 428 CG1 ILE A 30 -35.484 8.047 -16.381 1.00 0.00 C ATOM 429 CG2 ILE A 30 -35.029 8.476 -13.952 1.00 0.00 C ATOM 430 CD1 ILE A 30 -34.013 8.110 -16.729 1.00 0.00 C ATOM 0 H ILE A 30 -37.768 6.934 -15.830 1.00 0.00 H new ATOM 0 HA ILE A 30 -37.551 9.094 -13.836 1.00 0.00 H new ATOM 0 HB ILE A 30 -35.648 9.933 -15.382 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -35.762 7.009 -16.197 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -36.067 8.386 -17.238 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -33.970 8.584 -14.185 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -35.280 9.113 -13.104 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -35.241 7.437 -13.701 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -33.820 7.491 -17.605 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -33.734 9.141 -16.945 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -33.424 7.743 -15.888 1.00 0.00 H new ATOM 442 N THR A 31 -38.229 10.891 -15.567 1.00 0.00 N ATOM 443 CA THR A 31 -38.957 11.811 -16.432 1.00 0.00 C ATOM 444 C THR A 31 -38.135 13.063 -16.718 1.00 0.00 C ATOM 445 O THR A 31 -37.019 13.212 -16.219 1.00 0.00 O ATOM 446 CB THR A 31 -40.302 12.225 -15.805 1.00 0.00 C ATOM 447 OG1 THR A 31 -40.143 12.433 -14.397 1.00 0.00 O ATOM 448 CG2 THR A 31 -41.363 11.163 -16.049 1.00 0.00 C ATOM 0 H THR A 31 -37.794 11.330 -14.756 1.00 0.00 H new ATOM 0 HA THR A 31 -39.147 11.284 -17.367 1.00 0.00 H new ATOM 0 HB THR A 31 -40.626 13.154 -16.275 1.00 0.00 H new ATOM 0 HG1 THR A 31 -41.002 12.697 -14.006 1.00 0.00 H new ATOM 0 HG21 THR A 31 -42.304 11.478 -15.597 1.00 0.00 H new ATOM 0 HG22 THR A 31 -41.503 11.028 -17.122 1.00 0.00 H new ATOM 0 HG23 THR A 31 -41.044 10.221 -15.604 1.00 0.00 H new ATOM 456 N TYR A 32 -38.694 13.960 -17.522 1.00 0.00 N ATOM 457 CA TYR A 32 -38.012 15.199 -17.876 1.00 0.00 C ATOM 458 C TYR A 32 -37.833 16.091 -16.651 1.00 0.00 C ATOM 459 O TYR A 32 -37.019 17.015 -16.655 1.00 0.00 O ATOM 460 CB TYR A 32 -38.796 15.947 -18.955 1.00 0.00 C ATOM 461 CG TYR A 32 -38.294 15.688 -20.358 1.00 0.00 C ATOM 462 CD1 TYR A 32 -37.009 16.058 -20.736 1.00 0.00 C ATOM 463 CD2 TYR A 32 -39.104 15.073 -21.304 1.00 0.00 C ATOM 464 CE1 TYR A 32 -36.546 15.823 -22.017 1.00 0.00 C ATOM 465 CE2 TYR A 32 -38.649 14.833 -22.586 1.00 0.00 C ATOM 466 CZ TYR A 32 -37.370 15.210 -22.938 1.00 0.00 C ATOM 467 OH TYR A 32 -36.914 14.974 -24.214 1.00 0.00 O ATOM 0 H TYR A 32 -39.618 13.852 -17.941 1.00 0.00 H new ATOM 0 HA TYR A 32 -37.026 14.943 -18.264 1.00 0.00 H new ATOM 0 HB2 TYR A 32 -39.846 15.659 -18.895 1.00 0.00 H new ATOM 0 HB3 TYR A 32 -38.747 17.017 -18.752 1.00 0.00 H new ATOM 0 HD1 TYR A 32 -36.361 16.537 -20.017 1.00 0.00 H new ATOM 0 HD2 TYR A 32 -40.107 14.777 -21.033 1.00 0.00 H new ATOM 0 HE1 TYR A 32 -35.545 16.118 -22.295 1.00 0.00 H new ATOM 0 HE2 TYR A 32 -39.292 14.353 -23.309 1.00 0.00 H new ATOM 0 HH TYR A 32 -37.617 14.535 -24.737 1.00 0.00 H new ATOM 477 N ASP A 33 -38.599 15.807 -15.603 1.00 0.00 N ATOM 478 CA ASP A 33 -38.526 16.581 -14.370 1.00 0.00 C ATOM 479 C ASP A 33 -38.034 15.716 -13.214 1.00 0.00 C ATOM 480 O ASP A 33 -38.527 15.824 -12.091 1.00 0.00 O ATOM 481 CB ASP A 33 -39.894 17.175 -14.033 1.00 0.00 C ATOM 482 CG ASP A 33 -40.302 18.273 -14.995 1.00 0.00 C ATOM 483 OD1 ASP A 33 -39.404 18.899 -15.596 1.00 0.00 O ATOM 484 OD2 ASP A 33 -41.519 18.506 -15.147 1.00 0.00 O ATOM 0 H ASP A 33 -39.278 15.046 -15.583 1.00 0.00 H new ATOM 0 HA ASP A 33 -37.814 17.393 -14.521 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -40.644 16.384 -14.050 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -39.874 17.574 -13.019 1.00 0.00 H new ATOM 489 N SER A 34 -37.059 14.858 -13.497 1.00 0.00 N ATOM 490 CA SER A 34 -36.504 13.970 -12.482 1.00 0.00 C ATOM 491 C SER A 34 -35.209 14.540 -11.911 1.00 0.00 C ATOM 492 O SER A 34 -34.651 15.501 -12.443 1.00 0.00 O ATOM 493 CB SER A 34 -36.246 12.583 -13.073 1.00 0.00 C ATOM 494 OG SER A 34 -37.434 11.810 -13.097 1.00 0.00 O ATOM 0 H SER A 34 -36.637 14.759 -14.420 1.00 0.00 H new ATOM 0 HA SER A 34 -37.231 13.884 -11.674 1.00 0.00 H new ATOM 0 HB2 SER A 34 -35.853 12.683 -14.085 1.00 0.00 H new ATOM 0 HB3 SER A 34 -35.486 12.069 -12.485 1.00 0.00 H new ATOM 0 HG SER A 34 -37.260 10.931 -12.700 1.00 0.00 H new ATOM 500 N THR A 35 -34.735 13.942 -10.823 1.00 0.00 N ATOM 501 CA THR A 35 -33.507 14.389 -10.178 1.00 0.00 C ATOM 502 C THR A 35 -32.312 13.562 -10.637 1.00 0.00 C ATOM 503 O THR A 35 -32.448 12.417 -11.069 1.00 0.00 O ATOM 504 CB THR A 35 -33.616 14.306 -8.644 1.00 0.00 C ATOM 505 OG1 THR A 35 -33.226 13.003 -8.195 1.00 0.00 O ATOM 506 CG2 THR A 35 -35.035 14.602 -8.185 1.00 0.00 C ATOM 0 H THR A 35 -35.183 13.146 -10.370 1.00 0.00 H new ATOM 0 HA THR A 35 -33.358 15.429 -10.468 1.00 0.00 H new ATOM 0 HB THR A 35 -32.949 15.053 -8.214 1.00 0.00 H new ATOM 0 HG1 THR A 35 -33.296 12.959 -7.219 1.00 0.00 H new ATOM 0 HG21 THR A 35 -35.087 14.537 -7.098 1.00 0.00 H new ATOM 0 HG22 THR A 35 -35.318 15.605 -8.503 1.00 0.00 H new ATOM 0 HG23 THR A 35 -35.719 13.876 -8.625 1.00 0.00 H new ATOM 514 N PRO A 36 -31.111 14.152 -10.542 1.00 0.00 N ATOM 515 CA PRO A 36 -29.868 13.486 -10.942 1.00 0.00 C ATOM 516 C PRO A 36 -29.491 12.347 -10.000 1.00 0.00 C ATOM 517 O PRO A 36 -28.561 11.589 -10.271 1.00 0.00 O ATOM 518 CB PRO A 36 -28.827 14.606 -10.869 1.00 0.00 C ATOM 519 CG PRO A 36 -29.380 15.575 -9.882 1.00 0.00 C ATOM 520 CD PRO A 36 -30.875 15.515 -10.036 1.00 0.00 C ATOM 0 HA PRO A 36 -29.951 13.025 -11.926 1.00 0.00 H new ATOM 0 HB2 PRO A 36 -27.857 14.225 -10.549 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -28.680 15.073 -11.843 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -29.081 15.312 -8.867 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -29.008 16.582 -10.073 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -31.384 15.685 -9.087 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -31.238 16.271 -10.733 1.00 0.00 H new ATOM 528 N GLU A 37 -30.221 12.233 -8.895 1.00 0.00 N ATOM 529 CA GLU A 37 -29.962 11.186 -7.914 1.00 0.00 C ATOM 530 C GLU A 37 -30.839 9.965 -8.178 1.00 0.00 C ATOM 531 O GLU A 37 -30.487 8.844 -7.809 1.00 0.00 O ATOM 532 CB GLU A 37 -30.211 11.710 -6.498 1.00 0.00 C ATOM 533 CG GLU A 37 -28.952 12.186 -5.795 1.00 0.00 C ATOM 534 CD GLU A 37 -29.040 12.054 -4.287 1.00 0.00 C ATOM 535 OE1 GLU A 37 -30.171 11.966 -3.765 1.00 0.00 O ATOM 536 OE2 GLU A 37 -27.979 12.039 -3.629 1.00 0.00 O ATOM 0 H GLU A 37 -30.996 12.852 -8.657 1.00 0.00 H new ATOM 0 HA GLU A 37 -28.917 10.888 -8.005 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -30.924 12.533 -6.544 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -30.673 10.921 -5.904 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -28.099 11.612 -6.157 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -28.768 13.228 -6.054 1.00 0.00 H new ATOM 543 N ASP A 38 -31.980 10.191 -8.818 1.00 0.00 N ATOM 544 CA ASP A 38 -32.908 9.110 -9.132 1.00 0.00 C ATOM 545 C ASP A 38 -32.420 8.307 -10.335 1.00 0.00 C ATOM 546 O ASP A 38 -32.566 7.086 -10.380 1.00 0.00 O ATOM 547 CB ASP A 38 -34.303 9.671 -9.411 1.00 0.00 C ATOM 548 CG ASP A 38 -35.190 9.654 -8.181 1.00 0.00 C ATOM 549 OD1 ASP A 38 -34.646 9.575 -7.060 1.00 0.00 O ATOM 550 OD2 ASP A 38 -36.427 9.718 -8.340 1.00 0.00 O ATOM 0 H ASP A 38 -32.285 11.113 -9.130 1.00 0.00 H new ATOM 0 HA ASP A 38 -32.958 8.446 -8.269 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -34.214 10.694 -9.777 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -34.774 9.089 -10.203 1.00 0.00 H new ATOM 555 N VAL A 39 -31.839 9.003 -11.308 1.00 0.00 N ATOM 556 CA VAL A 39 -31.330 8.355 -12.511 1.00 0.00 C ATOM 557 C VAL A 39 -30.295 7.290 -12.165 1.00 0.00 C ATOM 558 O VAL A 39 -30.241 6.233 -12.794 1.00 0.00 O ATOM 559 CB VAL A 39 -30.697 9.378 -13.473 1.00 0.00 C ATOM 560 CG1 VAL A 39 -30.233 8.693 -14.750 1.00 0.00 C ATOM 561 CG2 VAL A 39 -31.680 10.495 -13.785 1.00 0.00 C ATOM 0 H VAL A 39 -31.709 10.015 -11.286 1.00 0.00 H new ATOM 0 HA VAL A 39 -32.181 7.884 -13.002 1.00 0.00 H new ATOM 0 HB VAL A 39 -29.826 9.817 -12.987 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -29.788 9.431 -15.418 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -29.492 7.932 -14.506 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -31.086 8.225 -15.242 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -31.216 11.208 -14.466 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -32.571 10.075 -14.251 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -31.958 11.003 -12.862 1.00 0.00 H new ATOM 571 N LYS A 40 -29.473 7.576 -11.161 1.00 0.00 N ATOM 572 CA LYS A 40 -28.439 6.643 -10.728 1.00 0.00 C ATOM 573 C LYS A 40 -29.032 5.265 -10.450 1.00 0.00 C ATOM 574 O LYS A 40 -28.473 4.244 -10.852 1.00 0.00 O ATOM 575 CB LYS A 40 -27.738 7.172 -9.475 1.00 0.00 C ATOM 576 CG LYS A 40 -26.242 6.910 -9.459 1.00 0.00 C ATOM 577 CD LYS A 40 -25.576 7.556 -8.255 1.00 0.00 C ATOM 578 CE LYS A 40 -24.435 8.471 -8.673 1.00 0.00 C ATOM 579 NZ LYS A 40 -23.243 8.306 -7.797 1.00 0.00 N ATOM 0 H LYS A 40 -29.503 8.447 -10.631 1.00 0.00 H new ATOM 0 HA LYS A 40 -27.709 6.549 -11.532 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -27.911 8.245 -9.398 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -28.188 6.712 -8.595 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -26.060 5.835 -9.444 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -25.794 7.296 -10.375 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -26.314 8.127 -7.692 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -25.197 6.781 -7.588 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -24.159 8.259 -9.706 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -24.770 9.508 -8.639 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -22.488 8.946 -8.114 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -23.500 8.533 -6.815 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -22.908 7.323 -7.849 1.00 0.00 H new ATOM 593 N THR A 41 -30.167 5.243 -9.759 1.00 0.00 N ATOM 594 CA THR A 41 -30.836 3.991 -9.427 1.00 0.00 C ATOM 595 C THR A 41 -31.561 3.417 -10.639 1.00 0.00 C ATOM 596 O THR A 41 -31.620 2.201 -10.819 1.00 0.00 O ATOM 597 CB THR A 41 -31.846 4.181 -8.280 1.00 0.00 C ATOM 598 OG1 THR A 41 -31.172 4.643 -7.105 1.00 0.00 O ATOM 599 CG2 THR A 41 -32.570 2.878 -7.976 1.00 0.00 C ATOM 0 H THR A 41 -30.643 6.078 -9.418 1.00 0.00 H new ATOM 0 HA THR A 41 -30.062 3.294 -9.107 1.00 0.00 H new ATOM 0 HB THR A 41 -32.581 4.923 -8.592 1.00 0.00 H new ATOM 0 HG1 THR A 41 -31.822 4.763 -6.381 1.00 0.00 H new ATOM 0 HG21 THR A 41 -33.278 3.036 -7.163 1.00 0.00 H new ATOM 0 HG22 THR A 41 -33.106 2.544 -8.864 1.00 0.00 H new ATOM 0 HG23 THR A 41 -31.845 2.119 -7.683 1.00 0.00 H new ATOM 607 N TRP A 42 -32.111 4.299 -11.466 1.00 0.00 N ATOM 608 CA TRP A 42 -32.832 3.878 -12.662 1.00 0.00 C ATOM 609 C TRP A 42 -31.921 3.094 -13.599 1.00 0.00 C ATOM 610 O TRP A 42 -32.361 2.159 -14.270 1.00 0.00 O ATOM 611 CB TRP A 42 -33.408 5.095 -13.389 1.00 0.00 C ATOM 612 CG TRP A 42 -34.147 4.741 -14.644 1.00 0.00 C ATOM 613 CD1 TRP A 42 -35.434 4.294 -14.739 1.00 0.00 C ATOM 614 CD2 TRP A 42 -33.642 4.804 -15.982 1.00 0.00 C ATOM 615 NE1 TRP A 42 -35.759 4.075 -16.056 1.00 0.00 N ATOM 616 CE2 TRP A 42 -34.677 4.381 -16.838 1.00 0.00 C ATOM 617 CE3 TRP A 42 -32.417 5.178 -16.541 1.00 0.00 C ATOM 618 CZ2 TRP A 42 -34.522 4.322 -18.221 1.00 0.00 C ATOM 619 CZ3 TRP A 42 -32.264 5.119 -17.913 1.00 0.00 C ATOM 620 CH2 TRP A 42 -33.312 4.694 -18.740 1.00 0.00 C ATOM 0 H TRP A 42 -32.072 5.309 -11.331 1.00 0.00 H new ATOM 0 HA TRP A 42 -33.650 3.227 -12.353 1.00 0.00 H new ATOM 0 HB2 TRP A 42 -34.082 5.626 -12.716 1.00 0.00 H new ATOM 0 HB3 TRP A 42 -32.597 5.780 -13.634 1.00 0.00 H new ATOM 0 HD1 TRP A 42 -36.098 4.136 -13.902 1.00 0.00 H new ATOM 0 HE1 TRP A 42 -36.660 3.739 -16.396 1.00 0.00 H new ATOM 0 HE3 TRP A 42 -31.604 5.508 -15.911 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 -35.328 3.994 -18.861 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 -31.321 5.405 -18.355 1.00 0.00 H new ATOM 0 HH2 TRP A 42 -33.162 4.659 -19.809 1.00 0.00 H new ATOM 631 N LEU A 43 -30.650 3.479 -13.642 1.00 0.00 N ATOM 632 CA LEU A 43 -29.677 2.811 -14.498 1.00 0.00 C ATOM 633 C LEU A 43 -29.262 1.468 -13.906 1.00 0.00 C ATOM 634 O LEU A 43 -29.133 0.476 -14.624 1.00 0.00 O ATOM 635 CB LEU A 43 -28.445 3.698 -14.692 1.00 0.00 C ATOM 636 CG LEU A 43 -28.708 5.100 -15.242 1.00 0.00 C ATOM 637 CD1 LEU A 43 -27.795 6.115 -14.574 1.00 0.00 C ATOM 638 CD2 LEU A 43 -28.520 5.124 -16.752 1.00 0.00 C ATOM 0 H LEU A 43 -30.270 4.250 -13.094 1.00 0.00 H new ATOM 0 HA LEU A 43 -30.145 2.632 -15.466 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -27.937 3.795 -13.732 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -27.757 3.188 -15.366 1.00 0.00 H new ATOM 0 HG LEU A 43 -29.741 5.369 -15.020 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -27.997 7.107 -14.978 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -27.978 6.117 -13.499 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -26.755 5.850 -14.765 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -28.711 6.130 -17.127 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -27.498 4.834 -16.996 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -29.216 4.425 -17.216 1.00 0.00 H new ATOM 650 N GLN A 44 -29.058 1.444 -12.593 1.00 0.00 N ATOM 651 CA GLN A 44 -28.659 0.221 -11.905 1.00 0.00 C ATOM 652 C GLN A 44 -29.778 -0.815 -11.944 1.00 0.00 C ATOM 653 O GLN A 44 -29.536 -1.994 -12.199 1.00 0.00 O ATOM 654 CB GLN A 44 -28.282 0.527 -10.454 1.00 0.00 C ATOM 655 CG GLN A 44 -27.031 1.381 -10.319 1.00 0.00 C ATOM 656 CD GLN A 44 -26.042 0.813 -9.320 1.00 0.00 C ATOM 657 OE1 GLN A 44 -25.798 -0.393 -9.289 1.00 0.00 O ATOM 658 NE2 GLN A 44 -25.467 1.682 -8.497 1.00 0.00 N ATOM 0 H GLN A 44 -29.162 2.256 -11.985 1.00 0.00 H new ATOM 0 HA GLN A 44 -27.790 -0.189 -12.420 1.00 0.00 H new ATOM 0 HB2 GLN A 44 -29.115 1.038 -9.971 1.00 0.00 H new ATOM 0 HB3 GLN A 44 -28.131 -0.411 -9.921 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -26.549 1.469 -11.293 1.00 0.00 H new ATOM 0 HG3 GLN A 44 -27.314 2.388 -10.012 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -25.699 2.673 -8.558 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -24.793 1.358 -7.803 1.00 0.00 H new ATOM 667 N SER A 45 -31.003 -0.366 -11.688 1.00 0.00 N ATOM 668 CA SER A 45 -32.159 -1.254 -11.690 1.00 0.00 C ATOM 669 C SER A 45 -32.230 -2.050 -12.990 1.00 0.00 C ATOM 670 O SER A 45 -32.378 -3.272 -12.977 1.00 0.00 O ATOM 671 CB SER A 45 -33.446 -0.451 -11.498 1.00 0.00 C ATOM 672 OG SER A 45 -34.583 -1.214 -11.866 1.00 0.00 O ATOM 0 H SER A 45 -31.220 0.608 -11.477 1.00 0.00 H new ATOM 0 HA SER A 45 -32.050 -1.954 -10.862 1.00 0.00 H new ATOM 0 HB2 SER A 45 -33.533 -0.142 -10.457 1.00 0.00 H new ATOM 0 HB3 SER A 45 -33.404 0.458 -12.098 1.00 0.00 H new ATOM 0 HG SER A 45 -35.393 -0.679 -11.733 1.00 0.00 H new ATOM 678 N LYS A 46 -32.125 -1.347 -14.112 1.00 0.00 N ATOM 679 CA LYS A 46 -32.176 -1.984 -15.423 1.00 0.00 C ATOM 680 C LYS A 46 -31.061 -3.014 -15.571 1.00 0.00 C ATOM 681 O LYS A 46 -31.192 -3.983 -16.317 1.00 0.00 O ATOM 682 CB LYS A 46 -32.065 -0.933 -16.529 1.00 0.00 C ATOM 683 CG LYS A 46 -33.233 0.037 -16.567 1.00 0.00 C ATOM 684 CD LYS A 46 -34.547 -0.683 -16.824 1.00 0.00 C ATOM 685 CE LYS A 46 -35.687 0.299 -17.041 1.00 0.00 C ATOM 686 NZ LYS A 46 -37.015 -0.333 -16.808 1.00 0.00 N ATOM 0 H LYS A 46 -32.004 -0.335 -14.140 1.00 0.00 H new ATOM 0 HA LYS A 46 -33.134 -2.496 -15.513 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -31.141 -0.371 -16.393 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -31.992 -1.438 -17.492 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -33.291 0.576 -15.621 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -33.065 0.780 -17.347 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -34.446 -1.325 -17.699 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -34.779 -1.331 -15.979 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -35.567 1.149 -16.370 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -35.643 0.687 -18.058 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -37.766 0.369 -16.966 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -37.141 -1.129 -17.466 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -37.067 -0.681 -15.829 1.00 0.00 H new ATOM 700 N GLY A 47 -29.963 -2.798 -14.853 1.00 0.00 N ATOM 701 CA GLY A 47 -28.841 -3.716 -14.918 1.00 0.00 C ATOM 702 C GLY A 47 -27.706 -3.186 -15.772 1.00 0.00 C ATOM 703 O GLY A 47 -27.044 -3.946 -16.478 1.00 0.00 O ATOM 0 H GLY A 47 -29.831 -2.003 -14.227 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -28.474 -3.908 -13.910 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -29.180 -4.671 -15.321 1.00 0.00 H new ATOM 707 N PHE A 48 -27.482 -1.878 -15.708 1.00 0.00 N ATOM 708 CA PHE A 48 -26.421 -1.246 -16.484 1.00 0.00 C ATOM 709 C PHE A 48 -25.120 -1.198 -15.687 1.00 0.00 C ATOM 710 O PHE A 48 -25.132 -1.052 -14.466 1.00 0.00 O ATOM 711 CB PHE A 48 -26.833 0.169 -16.894 1.00 0.00 C ATOM 712 CG PHE A 48 -27.769 0.205 -18.068 1.00 0.00 C ATOM 713 CD1 PHE A 48 -27.298 -0.012 -19.353 1.00 0.00 C ATOM 714 CD2 PHE A 48 -29.120 0.454 -17.887 1.00 0.00 C ATOM 715 CE1 PHE A 48 -28.157 0.020 -20.435 1.00 0.00 C ATOM 716 CE2 PHE A 48 -29.984 0.488 -18.965 1.00 0.00 C ATOM 717 CZ PHE A 48 -29.502 0.269 -20.241 1.00 0.00 C ATOM 0 H PHE A 48 -28.020 -1.235 -15.127 1.00 0.00 H new ATOM 0 HA PHE A 48 -26.256 -1.843 -17.381 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -27.309 0.660 -16.045 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -25.939 0.744 -17.135 1.00 0.00 H new ATOM 0 HD1 PHE A 48 -26.248 -0.208 -19.511 1.00 0.00 H new ATOM 0 HD2 PHE A 48 -29.502 0.624 -16.891 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -27.777 -0.150 -21.432 1.00 0.00 H new ATOM 0 HE2 PHE A 48 -31.034 0.685 -18.810 1.00 0.00 H new ATOM 0 HZ PHE A 48 -30.175 0.292 -21.085 1.00 0.00 H new ATOM 727 N ASN A 49 -23.998 -1.324 -16.390 1.00 0.00 N ATOM 728 CA ASN A 49 -22.688 -1.296 -15.749 1.00 0.00 C ATOM 729 C ASN A 49 -22.531 -0.049 -14.885 1.00 0.00 C ATOM 730 O ASN A 49 -23.183 0.973 -15.102 1.00 0.00 O ATOM 731 CB ASN A 49 -21.581 -1.342 -16.804 1.00 0.00 C ATOM 732 CG ASN A 49 -21.492 -0.058 -17.606 1.00 0.00 C ATOM 733 OD1 ASN A 49 -22.392 0.780 -17.557 1.00 0.00 O ATOM 734 ND2 ASN A 49 -20.404 0.100 -18.350 1.00 0.00 N ATOM 0 H ASN A 49 -23.970 -1.446 -17.402 1.00 0.00 H new ATOM 0 HA ASN A 49 -22.606 -2.173 -15.107 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -20.625 -1.529 -16.315 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -21.762 -2.178 -17.480 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -20.289 0.943 -18.912 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -19.683 -0.622 -18.359 1.00 0.00 H new ATOM 741 N PRO A 50 -21.646 -0.132 -13.881 1.00 0.00 N ATOM 742 CA PRO A 50 -21.381 0.981 -12.964 1.00 0.00 C ATOM 743 C PRO A 50 -20.648 2.132 -13.646 1.00 0.00 C ATOM 744 O PRO A 50 -20.781 3.289 -13.247 1.00 0.00 O ATOM 745 CB PRO A 50 -20.498 0.350 -11.885 1.00 0.00 C ATOM 746 CG PRO A 50 -19.839 -0.803 -12.561 1.00 0.00 C ATOM 747 CD PRO A 50 -20.834 -1.319 -13.564 1.00 0.00 C ATOM 0 HA PRO A 50 -22.302 1.419 -12.578 1.00 0.00 H new ATOM 0 HB2 PRO A 50 -19.763 1.062 -11.509 1.00 0.00 H new ATOM 0 HB3 PRO A 50 -21.090 0.022 -11.031 1.00 0.00 H new ATOM 0 HG2 PRO A 50 -18.916 -0.493 -13.051 1.00 0.00 H new ATOM 0 HG3 PRO A 50 -19.573 -1.577 -11.841 1.00 0.00 H new ATOM 0 HD2 PRO A 50 -20.341 -1.717 -14.451 1.00 0.00 H new ATOM 0 HD3 PRO A 50 -21.442 -2.123 -13.150 1.00 0.00 H new ATOM 755 N VAL A 51 -19.875 1.807 -14.677 1.00 0.00 N ATOM 756 CA VAL A 51 -19.122 2.814 -15.415 1.00 0.00 C ATOM 757 C VAL A 51 -20.053 3.837 -16.055 1.00 0.00 C ATOM 758 O VAL A 51 -19.651 4.964 -16.345 1.00 0.00 O ATOM 759 CB VAL A 51 -18.251 2.172 -16.511 1.00 0.00 C ATOM 760 CG1 VAL A 51 -17.501 3.240 -17.292 1.00 0.00 C ATOM 761 CG2 VAL A 51 -17.285 1.167 -15.903 1.00 0.00 C ATOM 0 H VAL A 51 -19.754 0.854 -15.020 1.00 0.00 H new ATOM 0 HA VAL A 51 -18.475 3.316 -14.695 1.00 0.00 H new ATOM 0 HB VAL A 51 -18.903 1.641 -17.204 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -16.891 2.767 -18.062 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -18.215 3.917 -17.760 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -16.858 3.802 -16.615 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -16.678 0.723 -16.692 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -16.637 1.672 -15.187 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -17.847 0.384 -15.394 1.00 0.00 H new ATOM 771 N THR A 52 -21.302 3.437 -16.273 1.00 0.00 N ATOM 772 CA THR A 52 -22.292 4.318 -16.880 1.00 0.00 C ATOM 773 C THR A 52 -23.080 5.074 -15.816 1.00 0.00 C ATOM 774 O THR A 52 -23.295 6.281 -15.930 1.00 0.00 O ATOM 775 CB THR A 52 -23.275 3.532 -17.768 1.00 0.00 C ATOM 776 OG1 THR A 52 -22.580 2.968 -18.886 1.00 0.00 O ATOM 777 CG2 THR A 52 -24.396 4.433 -18.263 1.00 0.00 C ATOM 0 H THR A 52 -21.652 2.508 -16.038 1.00 0.00 H new ATOM 0 HA THR A 52 -21.745 5.030 -17.498 1.00 0.00 H new ATOM 0 HB THR A 52 -23.711 2.732 -17.170 1.00 0.00 H new ATOM 0 HG1 THR A 52 -22.132 2.141 -18.610 1.00 0.00 H new ATOM 0 HG21 THR A 52 -25.078 3.856 -18.888 1.00 0.00 H new ATOM 0 HG22 THR A 52 -24.941 4.838 -17.410 1.00 0.00 H new ATOM 0 HG23 THR A 52 -23.974 5.252 -18.846 1.00 0.00 H new ATOM 785 N VAL A 53 -23.508 4.358 -14.782 1.00 0.00 N ATOM 786 CA VAL A 53 -24.271 4.962 -13.696 1.00 0.00 C ATOM 787 C VAL A 53 -23.453 6.029 -12.977 1.00 0.00 C ATOM 788 O VAL A 53 -24.003 6.901 -12.307 1.00 0.00 O ATOM 789 CB VAL A 53 -24.726 3.905 -12.673 1.00 0.00 C ATOM 790 CG1 VAL A 53 -25.621 4.534 -11.616 1.00 0.00 C ATOM 791 CG2 VAL A 53 -25.440 2.759 -13.374 1.00 0.00 C ATOM 0 H VAL A 53 -23.339 3.358 -14.673 1.00 0.00 H new ATOM 0 HA VAL A 53 -25.150 5.423 -14.146 1.00 0.00 H new ATOM 0 HB VAL A 53 -23.844 3.504 -12.175 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -25.932 3.771 -10.902 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -25.072 5.317 -11.094 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -26.501 4.965 -12.094 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -25.755 2.021 -12.636 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -26.314 3.142 -13.900 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -24.763 2.291 -14.089 1.00 0.00 H new ATOM 801 N ASN A 54 -22.134 5.953 -13.123 1.00 0.00 N ATOM 802 CA ASN A 54 -21.238 6.913 -12.487 1.00 0.00 C ATOM 803 C ASN A 54 -21.134 8.190 -13.315 1.00 0.00 C ATOM 804 O ASN A 54 -21.135 9.296 -12.773 1.00 0.00 O ATOM 805 CB ASN A 54 -19.850 6.299 -12.298 1.00 0.00 C ATOM 806 CG ASN A 54 -19.451 6.209 -10.838 1.00 0.00 C ATOM 807 OD1 ASN A 54 -19.092 7.210 -10.218 1.00 0.00 O ATOM 808 ND2 ASN A 54 -19.513 5.004 -10.282 1.00 0.00 N ATOM 0 H ASN A 54 -21.662 5.237 -13.676 1.00 0.00 H new ATOM 0 HA ASN A 54 -21.651 7.167 -11.511 1.00 0.00 H new ATOM 0 HB2 ASN A 54 -19.834 5.302 -12.738 1.00 0.00 H new ATOM 0 HB3 ASN A 54 -19.115 6.897 -12.836 1.00 0.00 H new ATOM 0 HD21 ASN A 54 -19.257 4.881 -9.302 1.00 0.00 H new ATOM 0 HD22 ASN A 54 -19.817 4.202 -10.835 1.00 0.00 H new ATOM 815 N SER A 55 -21.043 8.030 -14.631 1.00 0.00 N ATOM 816 CA SER A 55 -20.935 9.170 -15.534 1.00 0.00 C ATOM 817 C SER A 55 -22.299 9.813 -15.764 1.00 0.00 C ATOM 818 O SER A 55 -22.397 11.009 -16.039 1.00 0.00 O ATOM 819 CB SER A 55 -20.333 8.733 -16.871 1.00 0.00 C ATOM 820 OG SER A 55 -19.332 9.639 -17.300 1.00 0.00 O ATOM 0 H SER A 55 -21.042 7.122 -15.096 1.00 0.00 H new ATOM 0 HA SER A 55 -20.279 9.907 -15.071 1.00 0.00 H new ATOM 0 HB2 SER A 55 -19.906 7.735 -16.772 1.00 0.00 H new ATOM 0 HB3 SER A 55 -21.119 8.671 -17.624 1.00 0.00 H new ATOM 0 HG SER A 55 -18.962 9.337 -18.156 1.00 0.00 H new ATOM 826 N LEU A 56 -23.351 9.010 -15.649 1.00 0.00 N ATOM 827 CA LEU A 56 -24.712 9.499 -15.844 1.00 0.00 C ATOM 828 C LEU A 56 -25.486 9.493 -14.530 1.00 0.00 C ATOM 829 O LEU A 56 -26.716 9.459 -14.522 1.00 0.00 O ATOM 830 CB LEU A 56 -25.439 8.641 -16.881 1.00 0.00 C ATOM 831 CG LEU A 56 -24.692 8.397 -18.193 1.00 0.00 C ATOM 832 CD1 LEU A 56 -25.453 7.411 -19.065 1.00 0.00 C ATOM 833 CD2 LEU A 56 -24.472 9.708 -18.934 1.00 0.00 C ATOM 0 H LEU A 56 -23.288 8.018 -15.422 1.00 0.00 H new ATOM 0 HA LEU A 56 -24.655 10.526 -16.206 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -25.665 7.675 -16.430 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -26.393 9.116 -17.112 1.00 0.00 H new ATOM 0 HG LEU A 56 -23.718 7.967 -17.959 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -24.906 7.250 -19.994 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -25.558 6.463 -18.537 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -26.441 7.812 -19.290 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -23.939 9.515 -19.865 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -25.436 10.167 -19.156 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -23.884 10.383 -18.312 1.00 0.00 H new ATOM 845 N GLY A 57 -24.757 9.528 -13.419 1.00 0.00 N ATOM 846 CA GLY A 57 -25.392 9.528 -12.114 1.00 0.00 C ATOM 847 C GLY A 57 -25.428 10.908 -11.487 1.00 0.00 C ATOM 848 O GLY A 57 -25.815 11.061 -10.328 1.00 0.00 O ATOM 0 H GLY A 57 -23.738 9.556 -13.399 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -26.409 9.148 -12.208 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -24.857 8.846 -11.453 1.00 0.00 H new ATOM 852 N VAL A 58 -25.023 11.915 -12.253 1.00 0.00 N ATOM 853 CA VAL A 58 -25.011 13.289 -11.766 1.00 0.00 C ATOM 854 C VAL A 58 -25.957 14.168 -12.576 1.00 0.00 C ATOM 855 O VAL A 58 -26.315 15.268 -12.153 1.00 0.00 O ATOM 856 CB VAL A 58 -23.594 13.892 -11.821 1.00 0.00 C ATOM 857 CG1 VAL A 58 -22.717 13.294 -10.732 1.00 0.00 C ATOM 858 CG2 VAL A 58 -22.977 13.674 -13.194 1.00 0.00 C ATOM 0 H VAL A 58 -24.699 11.805 -13.214 1.00 0.00 H new ATOM 0 HA VAL A 58 -25.346 13.260 -10.729 1.00 0.00 H new ATOM 0 HB VAL A 58 -23.667 14.965 -11.646 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -21.720 13.732 -10.786 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -23.154 13.506 -9.756 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -22.648 12.215 -10.872 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -21.976 14.106 -13.216 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -22.916 12.605 -13.400 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -23.596 14.154 -13.952 1.00 0.00 H new ATOM 868 N LEU A 59 -26.359 13.676 -13.742 1.00 0.00 N ATOM 869 CA LEU A 59 -27.266 14.417 -14.613 1.00 0.00 C ATOM 870 C LEU A 59 -28.719 14.072 -14.306 1.00 0.00 C ATOM 871 O LEU A 59 -29.062 12.908 -14.101 1.00 0.00 O ATOM 872 CB LEU A 59 -26.957 14.113 -16.080 1.00 0.00 C ATOM 873 CG LEU A 59 -25.638 14.669 -16.618 1.00 0.00 C ATOM 874 CD1 LEU A 59 -25.480 14.335 -18.093 1.00 0.00 C ATOM 875 CD2 LEU A 59 -25.566 16.174 -16.400 1.00 0.00 C ATOM 0 H LEU A 59 -26.072 12.768 -14.107 1.00 0.00 H new ATOM 0 HA LEU A 59 -27.118 15.481 -14.429 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -26.953 13.031 -16.213 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -27.770 14.506 -16.691 1.00 0.00 H new ATOM 0 HG LEU A 59 -24.819 14.202 -16.071 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -24.536 14.739 -18.458 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -25.487 13.253 -18.224 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -26.304 14.774 -18.656 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -24.621 16.553 -16.789 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -26.393 16.657 -16.921 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -25.633 16.391 -15.334 1.00 0.00 H new ATOM 887 N ASN A 60 -29.571 15.092 -14.276 1.00 0.00 N ATOM 888 CA ASN A 60 -30.988 14.897 -13.995 1.00 0.00 C ATOM 889 C ASN A 60 -31.696 14.260 -15.187 1.00 0.00 C ATOM 890 O ASN A 60 -31.171 14.245 -16.299 1.00 0.00 O ATOM 891 CB ASN A 60 -31.650 16.233 -13.650 1.00 0.00 C ATOM 892 CG ASN A 60 -31.425 17.283 -14.720 1.00 0.00 C ATOM 893 OD1 ASN A 60 -32.065 17.260 -15.772 1.00 0.00 O ATOM 894 ND2 ASN A 60 -30.513 18.211 -14.456 1.00 0.00 N ATOM 0 H ASN A 60 -29.304 16.062 -14.443 1.00 0.00 H new ATOM 0 HA ASN A 60 -31.074 14.225 -13.141 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -32.721 16.080 -13.514 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -31.257 16.596 -12.700 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -30.319 18.944 -15.138 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -30.007 18.191 -13.571 1.00 0.00 H new ATOM 901 N GLY A 61 -32.893 13.734 -14.945 1.00 0.00 N ATOM 902 CA GLY A 61 -33.654 13.102 -16.007 1.00 0.00 C ATOM 903 C GLY A 61 -33.788 13.988 -17.230 1.00 0.00 C ATOM 904 O GLY A 61 -33.748 13.506 -18.361 1.00 0.00 O ATOM 0 H GLY A 61 -33.349 13.734 -14.033 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -33.170 12.168 -16.290 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -34.647 12.847 -15.636 1.00 0.00 H new ATOM 908 N ALA A 62 -33.951 15.287 -17.002 1.00 0.00 N ATOM 909 CA ALA A 62 -34.091 16.243 -18.094 1.00 0.00 C ATOM 910 C ALA A 62 -32.859 16.234 -18.993 1.00 0.00 C ATOM 911 O ALA A 62 -32.965 16.044 -20.204 1.00 0.00 O ATOM 912 CB ALA A 62 -34.336 17.640 -17.545 1.00 0.00 C ATOM 0 H ALA A 62 -33.989 15.702 -16.071 1.00 0.00 H new ATOM 0 HA ALA A 62 -34.950 15.946 -18.696 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -34.438 18.343 -18.372 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -35.250 17.642 -16.951 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -33.495 17.937 -16.918 1.00 0.00 H new ATOM 918 N GLN A 63 -31.692 16.442 -18.391 1.00 0.00 N ATOM 919 CA GLN A 63 -30.440 16.459 -19.139 1.00 0.00 C ATOM 920 C GLN A 63 -30.203 15.123 -19.834 1.00 0.00 C ATOM 921 O GLN A 63 -29.915 15.076 -21.031 1.00 0.00 O ATOM 922 CB GLN A 63 -29.270 16.778 -18.207 1.00 0.00 C ATOM 923 CG GLN A 63 -29.350 18.161 -17.581 1.00 0.00 C ATOM 924 CD GLN A 63 -28.368 19.138 -18.198 1.00 0.00 C ATOM 925 OE1 GLN A 63 -27.665 19.859 -17.490 1.00 0.00 O ATOM 926 NE2 GLN A 63 -28.315 19.167 -19.524 1.00 0.00 N ATOM 0 H GLN A 63 -31.587 16.601 -17.389 1.00 0.00 H new ATOM 0 HA GLN A 63 -30.511 17.236 -19.901 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -29.234 16.031 -17.414 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -28.338 16.695 -18.766 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -30.362 18.549 -17.694 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -29.156 18.083 -16.511 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -28.916 18.552 -20.072 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -27.673 19.805 -19.995 1.00 0.00 H new ATOM 935 N LEU A 64 -30.325 14.038 -19.077 1.00 0.00 N ATOM 936 CA LEU A 64 -30.124 12.699 -19.620 1.00 0.00 C ATOM 937 C LEU A 64 -31.047 12.449 -20.809 1.00 0.00 C ATOM 938 O LEU A 64 -30.655 11.818 -21.791 1.00 0.00 O ATOM 939 CB LEU A 64 -30.369 11.646 -18.539 1.00 0.00 C ATOM 940 CG LEU A 64 -30.274 10.187 -18.988 1.00 0.00 C ATOM 941 CD1 LEU A 64 -29.318 9.415 -18.092 1.00 0.00 C ATOM 942 CD2 LEU A 64 -31.650 9.538 -18.988 1.00 0.00 C ATOM 0 H LEU A 64 -30.562 14.059 -18.085 1.00 0.00 H new ATOM 0 HA LEU A 64 -29.092 12.624 -19.963 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -29.650 11.805 -17.735 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -31.360 11.811 -18.117 1.00 0.00 H new ATOM 0 HG LEU A 64 -29.884 10.164 -20.006 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -29.263 8.379 -18.426 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -28.327 9.866 -18.143 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -29.678 9.446 -17.064 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -31.563 8.500 -19.310 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -32.068 9.572 -17.982 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -32.306 10.076 -19.672 1.00 0.00 H new ATOM 954 N PHE A 65 -32.274 12.950 -20.714 1.00 0.00 N ATOM 955 CA PHE A 65 -33.253 12.782 -21.781 1.00 0.00 C ATOM 956 C PHE A 65 -32.814 13.519 -23.043 1.00 0.00 C ATOM 957 O PHE A 65 -33.242 13.189 -24.149 1.00 0.00 O ATOM 958 CB PHE A 65 -34.623 13.291 -21.330 1.00 0.00 C ATOM 959 CG PHE A 65 -35.437 12.259 -20.604 1.00 0.00 C ATOM 960 CD1 PHE A 65 -34.819 11.278 -19.846 1.00 0.00 C ATOM 961 CD2 PHE A 65 -36.821 12.270 -20.680 1.00 0.00 C ATOM 962 CE1 PHE A 65 -35.565 10.326 -19.176 1.00 0.00 C ATOM 963 CE2 PHE A 65 -37.572 11.322 -20.011 1.00 0.00 C ATOM 964 CZ PHE A 65 -36.944 10.348 -19.260 1.00 0.00 C ATOM 0 H PHE A 65 -32.614 13.476 -19.909 1.00 0.00 H new ATOM 0 HA PHE A 65 -33.326 11.719 -22.009 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -34.485 14.156 -20.681 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -35.180 13.633 -22.202 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -33.741 11.257 -19.778 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -37.318 13.027 -21.268 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -35.071 9.567 -18.588 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -38.650 11.343 -20.076 1.00 0.00 H new ATOM 0 HZ PHE A 65 -37.530 9.605 -18.739 1.00 0.00 H new ATOM 974 N SER A 66 -31.956 14.520 -22.868 1.00 0.00 N ATOM 975 CA SER A 66 -31.462 15.307 -23.991 1.00 0.00 C ATOM 976 C SER A 66 -30.357 14.561 -24.734 1.00 0.00 C ATOM 977 O SER A 66 -30.172 14.740 -25.938 1.00 0.00 O ATOM 978 CB SER A 66 -30.939 16.660 -23.502 1.00 0.00 C ATOM 979 OG SER A 66 -31.368 17.710 -24.352 1.00 0.00 O ATOM 0 H SER A 66 -31.589 14.804 -21.960 1.00 0.00 H new ATOM 0 HA SER A 66 -32.291 15.472 -24.679 1.00 0.00 H new ATOM 0 HB2 SER A 66 -31.290 16.844 -22.486 1.00 0.00 H new ATOM 0 HB3 SER A 66 -29.850 16.640 -23.464 1.00 0.00 H new ATOM 0 HG SER A 66 -31.022 18.564 -24.017 1.00 0.00 H new ATOM 985 N LEU A 67 -29.626 13.724 -24.006 1.00 0.00 N ATOM 986 CA LEU A 67 -28.539 12.949 -24.594 1.00 0.00 C ATOM 987 C LEU A 67 -29.081 11.867 -25.522 1.00 0.00 C ATOM 988 O LEU A 67 -29.885 11.030 -25.113 1.00 0.00 O ATOM 989 CB LEU A 67 -27.686 12.314 -23.494 1.00 0.00 C ATOM 990 CG LEU A 67 -27.118 13.273 -22.448 1.00 0.00 C ATOM 991 CD1 LEU A 67 -26.313 12.510 -21.407 1.00 0.00 C ATOM 992 CD2 LEU A 67 -26.260 14.340 -23.112 1.00 0.00 C ATOM 0 H LEU A 67 -29.766 13.565 -23.008 1.00 0.00 H new ATOM 0 HA LEU A 67 -27.919 13.627 -25.181 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -28.289 11.565 -22.981 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -26.855 11.788 -23.964 1.00 0.00 H new ATOM 0 HG LEU A 67 -27.950 13.766 -21.945 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -25.916 13.208 -20.670 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -26.957 11.785 -20.909 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -25.489 11.989 -21.894 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -25.864 15.014 -22.352 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -25.434 13.865 -23.642 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -26.866 14.907 -23.819 1.00 0.00 H new ATOM 1004 N ASN A 68 -28.634 11.888 -26.773 1.00 0.00 N ATOM 1005 CA ASN A 68 -29.073 10.907 -27.759 1.00 0.00 C ATOM 1006 C ASN A 68 -28.161 9.684 -27.754 1.00 0.00 C ATOM 1007 O ASN A 68 -27.308 9.536 -26.879 1.00 0.00 O ATOM 1008 CB ASN A 68 -29.098 11.533 -29.155 1.00 0.00 C ATOM 1009 CG ASN A 68 -29.374 13.023 -29.116 1.00 0.00 C ATOM 1010 OD1 ASN A 68 -30.518 13.451 -28.964 1.00 0.00 O ATOM 1011 ND2 ASN A 68 -28.323 13.823 -29.253 1.00 0.00 N ATOM 0 H ASN A 68 -27.968 12.574 -27.128 1.00 0.00 H new ATOM 0 HA ASN A 68 -30.081 10.587 -27.493 1.00 0.00 H new ATOM 0 HB2 ASN A 68 -28.141 11.356 -29.646 1.00 0.00 H new ATOM 0 HB3 ASN A 68 -29.861 11.041 -29.757 1.00 0.00 H new ATOM 0 HD21 ASN A 68 -28.447 14.835 -29.234 1.00 0.00 H new ATOM 0 HD22 ASN A 68 -27.392 13.425 -29.377 1.00 0.00 H new ATOM 1018 N LYS A 69 -28.346 8.811 -28.738 1.00 0.00 N ATOM 1019 CA LYS A 69 -27.539 7.601 -28.849 1.00 0.00 C ATOM 1020 C LYS A 69 -26.064 7.946 -29.026 1.00 0.00 C ATOM 1021 O LYS A 69 -25.187 7.133 -28.732 1.00 0.00 O ATOM 1022 CB LYS A 69 -28.020 6.750 -30.027 1.00 0.00 C ATOM 1023 CG LYS A 69 -27.505 5.321 -29.995 1.00 0.00 C ATOM 1024 CD LYS A 69 -27.804 4.591 -31.293 1.00 0.00 C ATOM 1025 CE LYS A 69 -27.543 3.098 -31.166 1.00 0.00 C ATOM 1026 NZ LYS A 69 -27.800 2.380 -32.445 1.00 0.00 N ATOM 0 H LYS A 69 -29.048 8.918 -29.470 1.00 0.00 H new ATOM 0 HA LYS A 69 -27.653 7.031 -27.927 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -29.110 6.735 -30.032 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -27.703 7.221 -30.958 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -26.429 5.325 -29.818 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -27.963 4.787 -29.162 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -28.844 4.757 -31.574 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -27.188 5.002 -32.093 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -26.510 2.935 -30.859 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -28.178 2.684 -30.383 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -27.611 1.365 -32.318 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -28.792 2.515 -32.725 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -27.176 2.758 -33.187 1.00 0.00 H new ATOM 1040 N ASP A 70 -25.797 9.155 -29.507 1.00 0.00 N ATOM 1041 CA ASP A 70 -24.427 9.607 -29.721 1.00 0.00 C ATOM 1042 C ASP A 70 -23.833 10.168 -28.432 1.00 0.00 C ATOM 1043 O ASP A 70 -22.830 9.664 -27.930 1.00 0.00 O ATOM 1044 CB ASP A 70 -24.384 10.669 -30.821 1.00 0.00 C ATOM 1045 CG ASP A 70 -23.370 10.342 -31.900 1.00 0.00 C ATOM 1046 OD1 ASP A 70 -22.161 10.537 -31.657 1.00 0.00 O ATOM 1047 OD2 ASP A 70 -23.786 9.893 -32.989 1.00 0.00 O ATOM 0 H ASP A 70 -26.511 9.840 -29.756 1.00 0.00 H new ATOM 0 HA ASP A 70 -23.831 8.749 -30.032 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -25.372 10.762 -31.271 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -24.142 11.636 -30.380 1.00 0.00 H new ATOM 1052 N GLU A 71 -24.459 11.215 -27.905 1.00 0.00 N ATOM 1053 CA GLU A 71 -23.991 11.846 -26.676 1.00 0.00 C ATOM 1054 C GLU A 71 -23.804 10.810 -25.571 1.00 0.00 C ATOM 1055 O GLU A 71 -22.841 10.870 -24.805 1.00 0.00 O ATOM 1056 CB GLU A 71 -24.978 12.922 -26.220 1.00 0.00 C ATOM 1057 CG GLU A 71 -25.001 14.147 -27.118 1.00 0.00 C ATOM 1058 CD GLU A 71 -24.483 15.391 -26.422 1.00 0.00 C ATOM 1059 OE1 GLU A 71 -25.289 16.080 -25.763 1.00 0.00 O ATOM 1060 OE2 GLU A 71 -23.272 15.675 -26.536 1.00 0.00 O ATOM 0 H GLU A 71 -25.291 11.644 -28.309 1.00 0.00 H new ATOM 0 HA GLU A 71 -23.027 12.312 -26.881 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -25.979 12.492 -26.181 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -24.724 13.230 -25.206 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -24.398 13.954 -28.005 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -26.021 14.324 -27.459 1.00 0.00 H new ATOM 1067 N LEU A 72 -24.731 9.862 -25.494 1.00 0.00 N ATOM 1068 CA LEU A 72 -24.670 8.813 -24.482 1.00 0.00 C ATOM 1069 C LEU A 72 -23.531 7.841 -24.774 1.00 0.00 C ATOM 1070 O LEU A 72 -22.885 7.333 -23.857 1.00 0.00 O ATOM 1071 CB LEU A 72 -25.998 8.056 -24.422 1.00 0.00 C ATOM 1072 CG LEU A 72 -27.076 8.662 -23.522 1.00 0.00 C ATOM 1073 CD1 LEU A 72 -28.456 8.445 -24.122 1.00 0.00 C ATOM 1074 CD2 LEU A 72 -26.999 8.067 -22.124 1.00 0.00 C ATOM 0 H LEU A 72 -25.534 9.798 -26.120 1.00 0.00 H new ATOM 0 HA LEU A 72 -24.484 9.284 -23.517 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -26.397 7.982 -25.434 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -25.799 7.040 -24.083 1.00 0.00 H new ATOM 0 HG LEU A 72 -26.900 9.735 -23.448 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -29.210 8.883 -23.468 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -28.506 8.920 -25.102 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -28.643 7.376 -24.227 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -27.773 8.510 -21.497 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -27.149 6.989 -22.179 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -26.020 8.276 -21.693 1.00 0.00 H new ATOM 1086 N ARG A 73 -23.289 7.588 -26.056 1.00 0.00 N ATOM 1087 CA ARG A 73 -22.227 6.678 -26.468 1.00 0.00 C ATOM 1088 C ARG A 73 -20.854 7.293 -26.212 1.00 0.00 C ATOM 1089 O ARG A 73 -19.865 6.581 -26.039 1.00 0.00 O ATOM 1090 CB ARG A 73 -22.373 6.329 -27.951 1.00 0.00 C ATOM 1091 CG ARG A 73 -21.209 5.523 -28.503 1.00 0.00 C ATOM 1092 CD ARG A 73 -21.651 4.617 -29.643 1.00 0.00 C ATOM 1093 NE ARG A 73 -20.702 3.532 -29.878 1.00 0.00 N ATOM 1094 CZ ARG A 73 -20.722 2.760 -30.959 1.00 0.00 C ATOM 1095 NH1 ARG A 73 -21.636 2.955 -31.900 1.00 0.00 N ATOM 1096 NH2 ARG A 73 -19.825 1.793 -31.102 1.00 0.00 N ATOM 0 H ARG A 73 -23.814 8.000 -26.827 1.00 0.00 H new ATOM 0 HA ARG A 73 -22.314 5.767 -25.876 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -23.295 5.765 -28.094 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -22.471 7.251 -28.525 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -20.431 6.200 -28.855 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -20.771 4.921 -27.707 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -22.631 4.198 -29.414 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -21.761 5.207 -30.553 1.00 0.00 H new ATOM 0 HE ARG A 73 -19.985 3.357 -29.174 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -22.326 3.699 -31.795 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -21.649 2.361 -32.729 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -19.119 1.642 -30.382 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -19.841 1.201 -31.932 1.00 0.00 H new ATOM 1110 N THR A 74 -20.801 8.621 -26.189 1.00 0.00 N ATOM 1111 CA THR A 74 -19.550 9.332 -25.956 1.00 0.00 C ATOM 1112 C THR A 74 -19.183 9.328 -24.476 1.00 0.00 C ATOM 1113 O THR A 74 -18.036 9.067 -24.111 1.00 0.00 O ATOM 1114 CB THR A 74 -19.632 10.789 -26.448 1.00 0.00 C ATOM 1115 OG1 THR A 74 -21.000 11.166 -26.639 1.00 0.00 O ATOM 1116 CG2 THR A 74 -18.866 10.964 -27.751 1.00 0.00 C ATOM 0 H THR A 74 -21.610 9.226 -26.329 1.00 0.00 H new ATOM 0 HA THR A 74 -18.779 8.808 -26.521 1.00 0.00 H new ATOM 0 HB THR A 74 -19.181 11.431 -25.691 1.00 0.00 H new ATOM 0 HG1 THR A 74 -21.413 11.349 -25.770 1.00 0.00 H new ATOM 0 HG21 THR A 74 -18.938 12.001 -28.079 1.00 0.00 H new ATOM 0 HG22 THR A 74 -17.819 10.705 -27.595 1.00 0.00 H new ATOM 0 HG23 THR A 74 -19.292 10.312 -28.514 1.00 0.00 H new ATOM 1124 N VAL A 75 -20.164 9.618 -23.627 1.00 0.00 N ATOM 1125 CA VAL A 75 -19.944 9.645 -22.186 1.00 0.00 C ATOM 1126 C VAL A 75 -19.646 8.250 -21.649 1.00 0.00 C ATOM 1127 O VAL A 75 -18.896 8.092 -20.684 1.00 0.00 O ATOM 1128 CB VAL A 75 -21.165 10.219 -21.442 1.00 0.00 C ATOM 1129 CG1 VAL A 75 -22.422 9.441 -21.799 1.00 0.00 C ATOM 1130 CG2 VAL A 75 -20.928 10.206 -19.940 1.00 0.00 C ATOM 0 H VAL A 75 -21.118 9.837 -23.912 1.00 0.00 H new ATOM 0 HA VAL A 75 -19.084 10.291 -22.010 1.00 0.00 H new ATOM 0 HB VAL A 75 -21.306 11.254 -21.755 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -23.274 9.861 -21.264 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -22.599 9.508 -22.872 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -22.295 8.396 -21.517 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -21.801 10.615 -19.430 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -20.760 9.182 -19.607 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -20.053 10.812 -19.704 1.00 0.00 H new ATOM 1140 N CYS A 76 -20.237 7.241 -22.278 1.00 0.00 N ATOM 1141 CA CYS A 76 -20.035 5.857 -21.864 1.00 0.00 C ATOM 1142 C CYS A 76 -20.181 4.908 -23.048 1.00 0.00 C ATOM 1143 O CYS A 76 -20.861 5.202 -24.032 1.00 0.00 O ATOM 1144 CB CYS A 76 -21.032 5.481 -20.767 1.00 0.00 C ATOM 1145 SG CYS A 76 -22.765 5.663 -21.251 1.00 0.00 S ATOM 0 H CYS A 76 -20.860 7.355 -23.077 1.00 0.00 H new ATOM 0 HA CYS A 76 -19.022 5.765 -21.472 1.00 0.00 H new ATOM 0 HB2 CYS A 76 -20.856 4.447 -20.469 1.00 0.00 H new ATOM 0 HB3 CYS A 76 -20.843 6.102 -19.891 1.00 0.00 H new ATOM 0 HG CYS A 76 -22.837 6.327 -22.366 1.00 0.00 H new ATOM 1151 N PRO A 77 -19.527 3.741 -22.956 1.00 0.00 N ATOM 1152 CA PRO A 77 -19.567 2.724 -24.012 1.00 0.00 C ATOM 1153 C PRO A 77 -20.935 2.060 -24.125 1.00 0.00 C ATOM 1154 O PRO A 77 -21.277 1.496 -25.164 1.00 0.00 O ATOM 1155 CB PRO A 77 -18.515 1.707 -23.565 1.00 0.00 C ATOM 1156 CG PRO A 77 -18.436 1.867 -22.086 1.00 0.00 C ATOM 1157 CD PRO A 77 -18.697 3.323 -21.813 1.00 0.00 C ATOM 0 HA PRO A 77 -19.376 3.151 -24.997 1.00 0.00 H new ATOM 0 HB2 PRO A 77 -18.804 0.692 -23.838 1.00 0.00 H new ATOM 0 HB3 PRO A 77 -17.551 1.901 -24.036 1.00 0.00 H new ATOM 0 HG2 PRO A 77 -19.172 1.238 -21.585 1.00 0.00 H new ATOM 0 HG3 PRO A 77 -17.456 1.569 -21.713 1.00 0.00 H new ATOM 0 HD2 PRO A 77 -19.216 3.467 -20.865 1.00 0.00 H new ATOM 0 HD3 PRO A 77 -17.770 3.894 -21.759 1.00 0.00 H new ATOM 1165 N GLU A 78 -21.714 2.132 -23.050 1.00 0.00 N ATOM 1166 CA GLU A 78 -23.045 1.537 -23.030 1.00 0.00 C ATOM 1167 C GLU A 78 -24.110 2.574 -23.376 1.00 0.00 C ATOM 1168 O GLU A 78 -25.277 2.424 -23.020 1.00 0.00 O ATOM 1169 CB GLU A 78 -23.336 0.930 -21.656 1.00 0.00 C ATOM 1170 CG GLU A 78 -22.262 -0.031 -21.175 1.00 0.00 C ATOM 1171 CD GLU A 78 -21.913 -1.081 -22.212 1.00 0.00 C ATOM 1172 OE1 GLU A 78 -22.824 -1.822 -22.638 1.00 0.00 O ATOM 1173 OE2 GLU A 78 -20.728 -1.162 -22.597 1.00 0.00 O ATOM 0 H GLU A 78 -21.446 2.596 -22.182 1.00 0.00 H new ATOM 0 HA GLU A 78 -23.073 0.748 -23.781 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -23.444 1.734 -20.928 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -24.290 0.405 -21.695 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -21.365 0.532 -20.917 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -22.602 -0.524 -20.264 1.00 0.00 H new ATOM 1180 N GLY A 79 -23.697 3.628 -24.074 1.00 0.00 N ATOM 1181 CA GLY A 79 -24.626 4.675 -24.457 1.00 0.00 C ATOM 1182 C GLY A 79 -25.778 4.151 -25.291 1.00 0.00 C ATOM 1183 O GLY A 79 -26.942 4.318 -24.928 1.00 0.00 O ATOM 0 H GLY A 79 -22.735 3.775 -24.381 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -25.019 5.154 -23.560 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -24.093 5.441 -25.020 1.00 0.00 H new ATOM 1187 N ALA A 80 -25.454 3.517 -26.413 1.00 0.00 N ATOM 1188 CA ALA A 80 -26.471 2.966 -27.300 1.00 0.00 C ATOM 1189 C ALA A 80 -27.449 2.082 -26.534 1.00 0.00 C ATOM 1190 O ALA A 80 -28.618 1.969 -26.901 1.00 0.00 O ATOM 1191 CB ALA A 80 -25.818 2.181 -28.428 1.00 0.00 C ATOM 0 H ALA A 80 -24.495 3.372 -26.729 1.00 0.00 H new ATOM 0 HA ALA A 80 -27.033 3.796 -27.728 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -26.589 1.775 -29.083 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -25.166 2.841 -29.001 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -25.230 1.364 -28.010 1.00 0.00 H new ATOM 1197 N ARG A 81 -26.961 1.455 -25.468 1.00 0.00 N ATOM 1198 CA ARG A 81 -27.792 0.579 -24.651 1.00 0.00 C ATOM 1199 C ARG A 81 -28.651 1.390 -23.684 1.00 0.00 C ATOM 1200 O ARG A 81 -29.779 1.009 -23.370 1.00 0.00 O ATOM 1201 CB ARG A 81 -26.919 -0.406 -23.871 1.00 0.00 C ATOM 1202 CG ARG A 81 -26.108 -1.336 -24.759 1.00 0.00 C ATOM 1203 CD ARG A 81 -26.928 -2.539 -25.199 1.00 0.00 C ATOM 1204 NE ARG A 81 -26.560 -2.991 -26.538 1.00 0.00 N ATOM 1205 CZ ARG A 81 -25.424 -3.622 -26.815 1.00 0.00 C ATOM 1206 NH1 ARG A 81 -24.551 -3.876 -25.850 1.00 0.00 N ATOM 1207 NH2 ARG A 81 -25.160 -4.002 -28.058 1.00 0.00 N ATOM 0 H ARG A 81 -25.995 1.537 -25.150 1.00 0.00 H new ATOM 0 HA ARG A 81 -28.452 0.022 -25.316 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -26.239 0.154 -23.229 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -27.555 -1.004 -23.218 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -25.759 -0.791 -25.636 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -25.223 -1.675 -24.221 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -26.786 -3.354 -24.489 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -27.987 -2.282 -25.181 1.00 0.00 H new ATOM 0 HE ARG A 81 -27.211 -2.812 -27.303 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -24.751 -3.587 -24.892 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -23.680 -4.361 -26.065 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -25.830 -3.810 -28.803 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -24.287 -4.486 -28.269 1.00 0.00 H new ATOM 1221 N VAL A 82 -28.109 2.509 -23.215 1.00 0.00 N ATOM 1222 CA VAL A 82 -28.825 3.374 -22.285 1.00 0.00 C ATOM 1223 C VAL A 82 -29.930 4.149 -22.995 1.00 0.00 C ATOM 1224 O VAL A 82 -31.065 4.205 -22.522 1.00 0.00 O ATOM 1225 CB VAL A 82 -27.873 4.371 -21.599 1.00 0.00 C ATOM 1226 CG1 VAL A 82 -28.644 5.288 -20.662 1.00 0.00 C ATOM 1227 CG2 VAL A 82 -26.776 3.631 -20.850 1.00 0.00 C ATOM 0 H VAL A 82 -27.176 2.838 -23.464 1.00 0.00 H new ATOM 0 HA VAL A 82 -29.268 2.727 -21.528 1.00 0.00 H new ATOM 0 HB VAL A 82 -27.405 4.987 -22.367 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -27.954 5.985 -20.186 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -29.389 5.845 -21.230 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -29.142 4.692 -19.897 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -26.113 4.351 -20.371 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -27.223 2.989 -20.091 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -26.205 3.021 -21.550 1.00 0.00 H new ATOM 1237 N TYR A 83 -29.590 4.745 -24.132 1.00 0.00 N ATOM 1238 CA TYR A 83 -30.553 5.519 -24.907 1.00 0.00 C ATOM 1239 C TYR A 83 -31.791 4.686 -25.225 1.00 0.00 C ATOM 1240 O TYR A 83 -32.920 5.162 -25.105 1.00 0.00 O ATOM 1241 CB TYR A 83 -29.913 6.017 -26.204 1.00 0.00 C ATOM 1242 CG TYR A 83 -30.869 6.768 -27.102 1.00 0.00 C ATOM 1243 CD1 TYR A 83 -31.267 8.064 -26.797 1.00 0.00 C ATOM 1244 CD2 TYR A 83 -31.376 6.182 -28.255 1.00 0.00 C ATOM 1245 CE1 TYR A 83 -32.141 8.754 -27.614 1.00 0.00 C ATOM 1246 CE2 TYR A 83 -32.249 6.864 -29.079 1.00 0.00 C ATOM 1247 CZ TYR A 83 -32.630 8.150 -28.754 1.00 0.00 C ATOM 1248 OH TYR A 83 -33.500 8.834 -29.572 1.00 0.00 O ATOM 0 H TYR A 83 -28.655 4.707 -24.538 1.00 0.00 H new ATOM 0 HA TYR A 83 -30.858 6.377 -24.308 1.00 0.00 H new ATOM 0 HB2 TYR A 83 -29.073 6.666 -25.958 1.00 0.00 H new ATOM 0 HB3 TYR A 83 -29.508 5.165 -26.750 1.00 0.00 H new ATOM 0 HD1 TYR A 83 -30.886 8.540 -25.905 1.00 0.00 H new ATOM 0 HD2 TYR A 83 -31.082 5.175 -28.511 1.00 0.00 H new ATOM 0 HE1 TYR A 83 -32.440 9.761 -27.362 1.00 0.00 H new ATOM 0 HE2 TYR A 83 -32.632 6.394 -29.973 1.00 0.00 H new ATOM 0 HH TYR A 83 -33.748 8.267 -30.332 1.00 0.00 H new ATOM 1258 N SER A 84 -31.570 3.440 -25.629 1.00 0.00 N ATOM 1259 CA SER A 84 -32.667 2.540 -25.968 1.00 0.00 C ATOM 1260 C SER A 84 -33.610 2.363 -24.781 1.00 0.00 C ATOM 1261 O SER A 84 -34.780 2.021 -24.951 1.00 0.00 O ATOM 1262 CB SER A 84 -32.122 1.180 -26.408 1.00 0.00 C ATOM 1263 OG SER A 84 -31.263 1.312 -27.527 1.00 0.00 O ATOM 0 H SER A 84 -30.642 3.030 -25.730 1.00 0.00 H new ATOM 0 HA SER A 84 -33.226 2.983 -26.792 1.00 0.00 H new ATOM 0 HB2 SER A 84 -31.581 0.718 -25.583 1.00 0.00 H new ATOM 0 HB3 SER A 84 -32.950 0.517 -26.658 1.00 0.00 H new ATOM 0 HG SER A 84 -30.361 1.543 -27.222 1.00 0.00 H new ATOM 1269 N GLN A 85 -33.091 2.599 -23.581 1.00 0.00 N ATOM 1270 CA GLN A 85 -33.887 2.466 -22.366 1.00 0.00 C ATOM 1271 C GLN A 85 -34.544 3.792 -21.997 1.00 0.00 C ATOM 1272 O GLN A 85 -35.533 3.822 -21.265 1.00 0.00 O ATOM 1273 CB GLN A 85 -33.012 1.977 -21.210 1.00 0.00 C ATOM 1274 CG GLN A 85 -32.850 0.466 -21.166 1.00 0.00 C ATOM 1275 CD GLN A 85 -34.179 -0.262 -21.130 1.00 0.00 C ATOM 1276 OE1 GLN A 85 -34.797 -0.399 -20.073 1.00 0.00 O ATOM 1277 NE2 GLN A 85 -34.627 -0.735 -22.287 1.00 0.00 N ATOM 0 H GLN A 85 -32.124 2.883 -23.423 1.00 0.00 H new ATOM 0 HA GLN A 85 -34.672 1.733 -22.554 1.00 0.00 H new ATOM 0 HB2 GLN A 85 -32.027 2.437 -21.291 1.00 0.00 H new ATOM 0 HB3 GLN A 85 -33.446 2.315 -20.269 1.00 0.00 H new ATOM 0 HG2 GLN A 85 -32.285 0.139 -22.039 1.00 0.00 H new ATOM 0 HG3 GLN A 85 -32.266 0.192 -20.287 1.00 0.00 H new ATOM 0 HE21 GLN A 85 -34.083 -0.599 -23.139 1.00 0.00 H new ATOM 0 HE22 GLN A 85 -35.516 -1.234 -22.324 1.00 0.00 H new ATOM 1286 N ILE A 86 -33.987 4.885 -22.508 1.00 0.00 N ATOM 1287 CA ILE A 86 -34.520 6.213 -22.232 1.00 0.00 C ATOM 1288 C ILE A 86 -35.598 6.593 -23.241 1.00 0.00 C ATOM 1289 O ILE A 86 -36.577 7.258 -22.900 1.00 0.00 O ATOM 1290 CB ILE A 86 -33.411 7.281 -22.256 1.00 0.00 C ATOM 1291 CG1 ILE A 86 -32.322 6.940 -21.236 1.00 0.00 C ATOM 1292 CG2 ILE A 86 -33.995 8.658 -21.976 1.00 0.00 C ATOM 1293 CD1 ILE A 86 -31.013 7.656 -21.488 1.00 0.00 C ATOM 0 H ILE A 86 -33.167 4.877 -23.115 1.00 0.00 H new ATOM 0 HA ILE A 86 -34.956 6.177 -21.234 1.00 0.00 H new ATOM 0 HB ILE A 86 -32.961 7.294 -23.249 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -32.679 7.193 -20.237 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -32.147 5.864 -21.249 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -33.199 9.402 -21.996 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -34.737 8.900 -22.737 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -34.468 8.660 -20.994 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -30.288 7.367 -20.727 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -30.633 7.384 -22.473 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -31.173 8.733 -21.445 1.00 0.00 H new ATOM 1305 N THR A 87 -35.414 6.164 -24.486 1.00 0.00 N ATOM 1306 CA THR A 87 -36.371 6.458 -25.545 1.00 0.00 C ATOM 1307 C THR A 87 -37.781 6.044 -25.143 1.00 0.00 C ATOM 1308 O THR A 87 -38.751 6.746 -25.430 1.00 0.00 O ATOM 1309 CB THR A 87 -35.993 5.745 -26.857 1.00 0.00 C ATOM 1310 OG1 THR A 87 -37.026 5.931 -27.831 1.00 0.00 O ATOM 1311 CG2 THR A 87 -35.773 4.259 -26.621 1.00 0.00 C ATOM 0 H THR A 87 -34.610 5.612 -24.785 1.00 0.00 H new ATOM 0 HA THR A 87 -36.344 7.536 -25.705 1.00 0.00 H new ATOM 0 HB THR A 87 -35.064 6.179 -27.226 1.00 0.00 H new ATOM 0 HG1 THR A 87 -36.777 5.476 -28.663 1.00 0.00 H new ATOM 0 HG21 THR A 87 -35.507 3.777 -27.562 1.00 0.00 H new ATOM 0 HG22 THR A 87 -34.966 4.120 -25.901 1.00 0.00 H new ATOM 0 HG23 THR A 87 -36.688 3.813 -26.231 1.00 0.00 H new ATOM 1319 N VAL A 88 -37.889 4.900 -24.475 1.00 0.00 N ATOM 1320 CA VAL A 88 -39.182 4.392 -24.031 1.00 0.00 C ATOM 1321 C VAL A 88 -39.793 5.300 -22.969 1.00 0.00 C ATOM 1322 O VAL A 88 -41.013 5.354 -22.813 1.00 0.00 O ATOM 1323 CB VAL A 88 -39.061 2.966 -23.463 1.00 0.00 C ATOM 1324 CG1 VAL A 88 -38.097 2.939 -22.287 1.00 0.00 C ATOM 1325 CG2 VAL A 88 -40.427 2.437 -23.056 1.00 0.00 C ATOM 0 H VAL A 88 -37.096 4.307 -24.229 1.00 0.00 H new ATOM 0 HA VAL A 88 -39.831 4.372 -24.906 1.00 0.00 H new ATOM 0 HB VAL A 88 -38.663 2.316 -24.242 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -38.025 1.923 -21.899 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -37.113 3.273 -22.616 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -38.462 3.602 -21.502 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -40.322 1.428 -22.657 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -40.856 3.086 -22.293 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -41.083 2.417 -23.926 1.00 0.00 H new ATOM 1335 N GLN A 89 -38.937 6.010 -22.242 1.00 0.00 N ATOM 1336 CA GLN A 89 -39.393 6.916 -21.194 1.00 0.00 C ATOM 1337 C GLN A 89 -39.977 8.191 -21.793 1.00 0.00 C ATOM 1338 O GLN A 89 -41.085 8.602 -21.447 1.00 0.00 O ATOM 1339 CB GLN A 89 -38.239 7.263 -20.252 1.00 0.00 C ATOM 1340 CG GLN A 89 -37.536 6.044 -19.677 1.00 0.00 C ATOM 1341 CD GLN A 89 -38.505 5.013 -19.133 1.00 0.00 C ATOM 1342 OE1 GLN A 89 -38.393 3.823 -19.426 1.00 0.00 O ATOM 1343 NE2 GLN A 89 -39.465 5.467 -18.335 1.00 0.00 N ATOM 0 H GLN A 89 -37.924 5.976 -22.359 1.00 0.00 H new ATOM 0 HA GLN A 89 -40.175 6.411 -20.627 1.00 0.00 H new ATOM 0 HB2 GLN A 89 -37.512 7.871 -20.790 1.00 0.00 H new ATOM 0 HB3 GLN A 89 -38.620 7.872 -19.433 1.00 0.00 H new ATOM 0 HG2 GLN A 89 -36.921 5.586 -20.451 1.00 0.00 H new ATOM 0 HG3 GLN A 89 -36.863 6.360 -18.880 1.00 0.00 H new ATOM 0 HE21 GLN A 89 -39.520 6.462 -18.119 1.00 0.00 H new ATOM 0 HE22 GLN A 89 -40.147 4.820 -17.939 1.00 0.00 H new ATOM 1352 N LYS A 90 -39.225 8.815 -22.693 1.00 0.00 N ATOM 1353 CA LYS A 90 -39.667 10.043 -23.342 1.00 0.00 C ATOM 1354 C LYS A 90 -40.968 9.818 -24.106 1.00 0.00 C ATOM 1355 O LYS A 90 -41.896 10.622 -24.021 1.00 0.00 O ATOM 1356 CB LYS A 90 -38.586 10.559 -24.295 1.00 0.00 C ATOM 1357 CG LYS A 90 -37.346 11.076 -23.586 1.00 0.00 C ATOM 1358 CD LYS A 90 -36.090 10.818 -24.401 1.00 0.00 C ATOM 1359 CE LYS A 90 -35.987 11.769 -25.583 1.00 0.00 C ATOM 1360 NZ LYS A 90 -36.826 11.322 -26.729 1.00 0.00 N ATOM 0 H LYS A 90 -38.305 8.490 -22.990 1.00 0.00 H new ATOM 0 HA LYS A 90 -39.846 10.789 -22.567 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -38.298 9.756 -24.973 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -39.004 11.358 -24.907 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -37.449 12.146 -23.404 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -37.255 10.594 -22.613 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -35.212 10.931 -23.764 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -36.093 9.789 -24.760 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -36.297 12.767 -25.274 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -34.947 11.842 -25.901 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -36.399 11.648 -27.620 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -36.884 10.284 -26.732 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -37.782 11.722 -26.636 1.00 0.00 H new