USER MOD reduce.3.24.130724 H: found=0, std=0, add=492, rem=0, adj=16 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= -1.1 K(o=-0.011,f=-4.2!) 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= -0.0938 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= 0.998 USER MOD Single : A 29 ASN : amide:sc= -1.78 X(o=-1.8,f=-1.7) USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 THR OG1 : rot -99:sc= 0.168 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= -0.0516 X(o=-0.052,f=-0.35) 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= -0.043 USER MOD Single : A 60 ASN : amide:sc= -2.71! C(o=-2.7!,f=-12!) USER MOD Single : A 63 GLN : amide:sc= -0.0995 X(o=-0.1,f=0) USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 68 ASN : amide:sc= -0.0657 X(o=-0.066,f=-0.053) USER MOD Single : A 69 LYS NZ :NH3+ 171:sc= -0.188 (180deg=-0.301) USER MOD Single : A 74 THR OG1 : rot 79:sc= 0.783 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= -0.623 K(o=-0.62,f=-2) USER MOD Single : A 87 THR OG1 : rot 180:sc= 0 USER MOD Single : A 89 GLN : amide:sc= -1.89! C(o=-1.9!,f=-3.9!) USER MOD Single : A 90 LYS NZ :NH3+ -143:sc= -0.226 (180deg=-1.17) USER MOD ----------------------------------------------------------------- ATOM 390 N ILE A 28 -38.405 1.078 -11.482 1.00 0.00 N ATOM 391 CA ILE A 28 -37.856 2.429 -11.490 1.00 0.00 C ATOM 392 C ILE A 28 -38.110 3.118 -12.827 1.00 0.00 C ATOM 393 O ILE A 28 -38.122 2.475 -13.876 1.00 0.00 O ATOM 394 CB ILE A 28 -36.342 2.423 -11.209 1.00 0.00 C ATOM 395 CG1 ILE A 28 -36.033 1.565 -9.980 1.00 0.00 C ATOM 396 CG2 ILE A 28 -35.834 3.843 -11.011 1.00 0.00 C ATOM 397 CD1 ILE A 28 -36.632 2.105 -8.700 1.00 0.00 C ATOM 0 HA ILE A 28 -38.363 2.980 -10.698 1.00 0.00 H new ATOM 0 HB ILE A 28 -35.830 1.991 -12.069 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -36.407 0.555 -10.149 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -34.952 1.489 -9.862 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -34.762 3.822 -10.813 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -36.025 4.427 -11.911 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -36.350 4.299 -10.166 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -36.373 1.447 -7.871 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -36.239 3.103 -8.507 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -37.716 2.154 -8.798 1.00 0.00 H new ATOM 409 N ASN A 29 -38.313 4.430 -12.780 1.00 0.00 N ATOM 410 CA ASN A 29 -38.566 5.208 -13.988 1.00 0.00 C ATOM 411 C ASN A 29 -38.139 6.660 -13.799 1.00 0.00 C ATOM 412 O ASN A 29 -38.115 7.170 -12.679 1.00 0.00 O ATOM 413 CB ASN A 29 -40.049 5.144 -14.359 1.00 0.00 C ATOM 414 CG ASN A 29 -40.562 3.720 -14.448 1.00 0.00 C ATOM 415 OD1 ASN A 29 -41.183 3.212 -13.514 1.00 0.00 O ATOM 416 ND2 ASN A 29 -40.304 3.068 -15.576 1.00 0.00 N ATOM 0 H ASN A 29 -38.307 4.977 -11.919 1.00 0.00 H new ATOM 0 HA ASN A 29 -37.977 4.778 -14.798 1.00 0.00 H new ATOM 0 HB2 ASN A 29 -40.630 5.691 -13.617 1.00 0.00 H new ATOM 0 HB3 ASN A 29 -40.203 5.643 -15.316 1.00 0.00 H new ATOM 0 HD21 ASN A 29 -40.624 2.107 -15.694 1.00 0.00 H new ATOM 0 HD22 ASN A 29 -39.786 3.529 -16.324 1.00 0.00 H new ATOM 423 N ILE A 30 -37.804 7.321 -14.903 1.00 0.00 N ATOM 424 CA ILE A 30 -37.380 8.714 -14.859 1.00 0.00 C ATOM 425 C ILE A 30 -38.176 9.562 -15.845 1.00 0.00 C ATOM 426 O ILE A 30 -38.706 9.053 -16.833 1.00 0.00 O ATOM 427 CB ILE A 30 -35.878 8.856 -15.172 1.00 0.00 C ATOM 428 CG1 ILE A 30 -35.508 8.014 -16.395 1.00 0.00 C ATOM 429 CG2 ILE A 30 -35.045 8.446 -13.967 1.00 0.00 C ATOM 430 CD1 ILE A 30 -34.039 8.074 -16.748 1.00 0.00 C ATOM 0 H ILE A 30 -37.818 6.914 -15.838 1.00 0.00 H new ATOM 0 HA ILE A 30 -37.566 9.069 -13.845 1.00 0.00 H new ATOM 0 HB ILE A 30 -35.665 9.901 -15.397 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -35.787 6.977 -16.210 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -36.093 8.353 -17.250 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -33.986 8.552 -14.204 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -35.293 9.085 -13.119 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -35.258 7.408 -13.714 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -33.850 7.454 -17.624 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -33.759 9.105 -16.966 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -33.448 7.707 -15.909 1.00 0.00 H new ATOM 442 N THR A 31 -38.254 10.861 -15.572 1.00 0.00 N ATOM 443 CA THR A 31 -38.985 11.781 -16.434 1.00 0.00 C ATOM 444 C THR A 31 -38.167 13.036 -16.717 1.00 0.00 C ATOM 445 O THR A 31 -37.056 13.192 -16.211 1.00 0.00 O ATOM 446 CB THR A 31 -40.332 12.189 -15.808 1.00 0.00 C ATOM 447 OG1 THR A 31 -40.180 12.371 -14.396 1.00 0.00 O ATOM 448 CG2 THR A 31 -41.395 11.135 -16.078 1.00 0.00 C ATOM 0 H THR A 31 -37.819 11.299 -14.760 1.00 0.00 H new ATOM 0 HA THR A 31 -39.174 11.255 -17.370 1.00 0.00 H new ATOM 0 HB THR A 31 -40.650 13.127 -16.262 1.00 0.00 H new ATOM 0 HG1 THR A 31 -41.040 12.632 -14.005 1.00 0.00 H new ATOM 0 HG21 THR A 31 -42.337 11.445 -15.626 1.00 0.00 H new ATOM 0 HG22 THR A 31 -41.528 11.020 -17.154 1.00 0.00 H new ATOM 0 HG23 THR A 31 -41.082 10.184 -15.648 1.00 0.00 H new ATOM 456 N TYR A 32 -38.725 13.930 -17.526 1.00 0.00 N ATOM 457 CA TYR A 32 -38.046 15.172 -17.876 1.00 0.00 C ATOM 458 C TYR A 32 -37.871 16.062 -16.650 1.00 0.00 C ATOM 459 O TYR A 32 -37.061 16.989 -16.652 1.00 0.00 O ATOM 460 CB TYR A 32 -38.832 15.920 -18.955 1.00 0.00 C ATOM 461 CG TYR A 32 -38.326 15.667 -20.357 1.00 0.00 C ATOM 462 CD1 TYR A 32 -37.041 16.039 -20.732 1.00 0.00 C ATOM 463 CD2 TYR A 32 -39.134 15.054 -21.308 1.00 0.00 C ATOM 464 CE1 TYR A 32 -36.576 15.810 -22.012 1.00 0.00 C ATOM 465 CE2 TYR A 32 -38.677 14.820 -22.590 1.00 0.00 C ATOM 466 CZ TYR A 32 -37.397 15.200 -22.938 1.00 0.00 C ATOM 467 OH TYR A 32 -36.937 14.969 -24.214 1.00 0.00 O ATOM 0 H TYR A 32 -39.645 13.818 -17.951 1.00 0.00 H new ATOM 0 HA TYR A 32 -37.059 14.920 -18.263 1.00 0.00 H new ATOM 0 HB2 TYR A 32 -39.880 15.627 -18.898 1.00 0.00 H new ATOM 0 HB3 TYR A 32 -38.788 16.989 -18.749 1.00 0.00 H new ATOM 0 HD1 TYR A 32 -36.395 16.516 -20.010 1.00 0.00 H new ATOM 0 HD2 TYR A 32 -40.137 14.756 -21.039 1.00 0.00 H new ATOM 0 HE1 TYR A 32 -35.575 16.107 -22.287 1.00 0.00 H new ATOM 0 HE2 TYR A 32 -39.318 14.342 -23.316 1.00 0.00 H new ATOM 0 HH TYR A 32 -37.638 14.531 -24.740 1.00 0.00 H new ATOM 477 N ASP A 33 -38.636 15.772 -15.603 1.00 0.00 N ATOM 478 CA ASP A 33 -38.565 16.544 -14.367 1.00 0.00 C ATOM 479 C ASP A 33 -38.069 15.678 -13.213 1.00 0.00 C ATOM 480 O ASP A 33 -38.563 15.781 -12.090 1.00 0.00 O ATOM 481 CB ASP A 33 -39.936 17.131 -14.029 1.00 0.00 C ATOM 482 CG ASP A 33 -40.359 18.214 -15.002 1.00 0.00 C ATOM 483 OD1 ASP A 33 -39.470 18.835 -15.622 1.00 0.00 O ATOM 484 OD2 ASP A 33 -41.579 18.440 -15.143 1.00 0.00 O ATOM 0 H ASP A 33 -39.312 15.008 -15.585 1.00 0.00 H new ATOM 0 HA ASP A 33 -37.856 17.359 -14.516 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -40.680 16.334 -14.031 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -39.913 17.542 -13.020 1.00 0.00 H new ATOM 489 N SER A 34 -37.091 14.824 -13.498 1.00 0.00 N ATOM 490 CA SER A 34 -36.532 13.937 -12.486 1.00 0.00 C ATOM 491 C SER A 34 -35.240 14.512 -11.914 1.00 0.00 C ATOM 492 O SER A 34 -34.686 15.476 -12.444 1.00 0.00 O ATOM 493 CB SER A 34 -36.268 12.552 -13.080 1.00 0.00 C ATOM 494 OG SER A 34 -37.451 11.771 -13.098 1.00 0.00 O ATOM 0 H SER A 34 -36.670 14.728 -14.422 1.00 0.00 H new ATOM 0 HA SER A 34 -37.258 13.845 -11.678 1.00 0.00 H new ATOM 0 HB2 SER A 34 -35.881 12.655 -14.094 1.00 0.00 H new ATOM 0 HB3 SER A 34 -35.501 12.043 -12.497 1.00 0.00 H new ATOM 0 HG SER A 34 -37.269 10.893 -12.703 1.00 0.00 H new ATOM 500 N THR A 35 -34.762 13.912 -10.827 1.00 0.00 N ATOM 501 CA THR A 35 -33.537 14.364 -10.181 1.00 0.00 C ATOM 502 C THR A 35 -32.338 13.541 -10.640 1.00 0.00 C ATOM 503 O THR A 35 -32.470 12.396 -11.074 1.00 0.00 O ATOM 504 CB THR A 35 -33.646 14.280 -8.647 1.00 0.00 C ATOM 505 OG1 THR A 35 -33.249 12.979 -8.198 1.00 0.00 O ATOM 506 CG2 THR A 35 -35.068 14.567 -8.189 1.00 0.00 C ATOM 0 H THR A 35 -35.206 13.112 -10.376 1.00 0.00 H new ATOM 0 HA THR A 35 -33.393 15.405 -10.471 1.00 0.00 H new ATOM 0 HB THR A 35 -32.984 15.031 -8.216 1.00 0.00 H new ATOM 0 HG1 THR A 35 -34.045 12.430 -8.042 1.00 0.00 H new ATOM 0 HG21 THR A 35 -35.120 14.502 -7.102 1.00 0.00 H new ATOM 0 HG22 THR A 35 -35.357 15.569 -8.507 1.00 0.00 H new ATOM 0 HG23 THR A 35 -35.747 13.836 -8.629 1.00 0.00 H new ATOM 514 N PRO A 36 -31.139 14.134 -10.542 1.00 0.00 N ATOM 515 CA PRO A 36 -29.894 13.473 -10.941 1.00 0.00 C ATOM 516 C PRO A 36 -29.515 12.333 -10.001 1.00 0.00 C ATOM 517 O PRO A 36 -28.583 11.578 -10.272 1.00 0.00 O ATOM 518 CB PRO A 36 -28.856 14.595 -10.866 1.00 0.00 C ATOM 519 CG PRO A 36 -29.413 15.561 -9.878 1.00 0.00 C ATOM 520 CD PRO A 36 -30.908 15.497 -10.034 1.00 0.00 C ATOM 0 HA PRO A 36 -29.975 13.014 -11.926 1.00 0.00 H new ATOM 0 HB2 PRO A 36 -27.886 14.216 -10.545 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -28.709 15.064 -11.839 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -29.115 15.297 -8.863 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -29.044 16.569 -10.067 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -31.419 15.665 -9.086 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -31.272 16.253 -10.730 1.00 0.00 H new ATOM 528 N GLU A 37 -30.246 12.217 -8.896 1.00 0.00 N ATOM 529 CA GLU A 37 -29.985 11.169 -7.916 1.00 0.00 C ATOM 530 C GLU A 37 -30.855 9.944 -8.184 1.00 0.00 C ATOM 531 O GLU A 37 -30.500 8.824 -7.817 1.00 0.00 O ATOM 532 CB GLU A 37 -30.240 11.689 -6.500 1.00 0.00 C ATOM 533 CG GLU A 37 -28.982 12.160 -5.789 1.00 0.00 C ATOM 534 CD GLU A 37 -29.048 11.953 -4.288 1.00 0.00 C ATOM 535 OE1 GLU A 37 -29.598 10.918 -3.857 1.00 0.00 O ATOM 536 OE2 GLU A 37 -28.552 12.826 -3.546 1.00 0.00 O ATOM 0 H GLU A 37 -31.022 12.835 -8.658 1.00 0.00 H new ATOM 0 HA GLU A 37 -28.939 10.877 -8.005 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -30.951 12.514 -6.547 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -30.706 10.900 -5.911 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -28.121 11.624 -6.188 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -28.825 13.218 -6.000 1.00 0.00 H new ATOM 543 N ASP A 38 -31.997 10.167 -8.826 1.00 0.00 N ATOM 544 CA ASP A 38 -32.919 9.082 -9.145 1.00 0.00 C ATOM 545 C ASP A 38 -32.424 8.283 -10.346 1.00 0.00 C ATOM 546 O ASP A 38 -32.561 7.060 -10.390 1.00 0.00 O ATOM 547 CB ASP A 38 -34.315 9.638 -9.427 1.00 0.00 C ATOM 548 CG ASP A 38 -35.206 9.615 -8.200 1.00 0.00 C ATOM 549 OD1 ASP A 38 -35.848 8.573 -7.953 1.00 0.00 O ATOM 550 OD2 ASP A 38 -35.261 10.639 -7.488 1.00 0.00 O ATOM 0 H ASP A 38 -32.306 11.088 -9.136 1.00 0.00 H new ATOM 0 HA ASP A 38 -32.969 8.415 -8.284 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -34.229 10.662 -9.791 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -34.781 9.056 -10.222 1.00 0.00 H new ATOM 555 N VAL A 39 -31.848 8.982 -11.319 1.00 0.00 N ATOM 556 CA VAL A 39 -31.333 8.338 -12.521 1.00 0.00 C ATOM 557 C VAL A 39 -30.294 7.278 -12.174 1.00 0.00 C ATOM 558 O VAL A 39 -30.234 6.221 -12.803 1.00 0.00 O ATOM 559 CB VAL A 39 -30.702 9.364 -13.481 1.00 0.00 C ATOM 560 CG1 VAL A 39 -30.238 8.684 -14.760 1.00 0.00 C ATOM 561 CG2 VAL A 39 -31.688 10.481 -13.789 1.00 0.00 C ATOM 0 H VAL A 39 -31.726 9.995 -11.298 1.00 0.00 H new ATOM 0 HA VAL A 39 -32.181 7.864 -13.014 1.00 0.00 H new ATOM 0 HB VAL A 39 -29.831 9.803 -12.995 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -29.795 9.425 -15.426 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -29.496 7.923 -14.519 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -31.090 8.216 -15.253 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -31.226 11.197 -14.469 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -32.579 10.061 -14.255 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -31.966 10.986 -12.864 1.00 0.00 H new ATOM 571 N LYS A 40 -29.475 7.567 -11.168 1.00 0.00 N ATOM 572 CA LYS A 40 -28.438 6.638 -10.734 1.00 0.00 C ATOM 573 C LYS A 40 -29.025 5.258 -10.456 1.00 0.00 C ATOM 574 O LYS A 40 -28.463 4.240 -10.861 1.00 0.00 O ATOM 575 CB LYS A 40 -27.741 7.170 -9.480 1.00 0.00 C ATOM 576 CG LYS A 40 -26.244 6.912 -9.460 1.00 0.00 C ATOM 577 CD LYS A 40 -25.583 7.561 -8.256 1.00 0.00 C ATOM 578 CE LYS A 40 -24.446 8.481 -8.673 1.00 0.00 C ATOM 579 NZ LYS A 40 -23.253 8.322 -7.796 1.00 0.00 N ATOM 0 H LYS A 40 -29.509 8.438 -10.638 1.00 0.00 H new ATOM 0 HA LYS A 40 -27.707 6.547 -11.538 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -27.917 8.243 -9.404 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -28.192 6.710 -8.601 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -26.059 5.838 -9.443 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -25.795 7.298 -10.375 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -26.325 8.129 -7.695 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -25.201 6.788 -7.589 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -24.168 8.270 -9.706 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -24.786 9.516 -8.640 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -22.501 8.966 -8.113 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -23.511 8.548 -6.814 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -22.913 7.341 -7.847 1.00 0.00 H new ATOM 593 N THR A 41 -30.160 5.231 -9.764 1.00 0.00 N ATOM 594 CA THR A 41 -30.823 3.976 -9.433 1.00 0.00 C ATOM 595 C THR A 41 -31.548 3.401 -10.644 1.00 0.00 C ATOM 596 O THR A 41 -31.603 2.184 -10.826 1.00 0.00 O ATOM 597 CB THR A 41 -31.833 4.161 -8.285 1.00 0.00 C ATOM 598 OG1 THR A 41 -31.160 4.627 -7.110 1.00 0.00 O ATOM 599 CG2 THR A 41 -32.551 2.855 -7.980 1.00 0.00 C ATOM 0 H THR A 41 -30.639 6.064 -9.422 1.00 0.00 H new ATOM 0 HA THR A 41 -30.045 3.282 -9.115 1.00 0.00 H new ATOM 0 HB THR A 41 -32.572 4.899 -8.597 1.00 0.00 H new ATOM 0 HG1 THR A 41 -31.810 4.744 -6.386 1.00 0.00 H new ATOM 0 HG21 THR A 41 -33.259 3.011 -7.166 1.00 0.00 H new ATOM 0 HG22 THR A 41 -33.087 2.518 -8.868 1.00 0.00 H new ATOM 0 HG23 THR A 41 -31.822 2.099 -7.688 1.00 0.00 H new ATOM 607 N TRP A 42 -32.101 4.281 -11.470 1.00 0.00 N ATOM 608 CA TRP A 42 -32.822 3.859 -12.666 1.00 0.00 C ATOM 609 C TRP A 42 -31.908 3.081 -13.606 1.00 0.00 C ATOM 610 O TRP A 42 -32.346 2.149 -14.282 1.00 0.00 O ATOM 611 CB TRP A 42 -33.404 5.074 -13.390 1.00 0.00 C ATOM 612 CG TRP A 42 -34.145 4.719 -14.644 1.00 0.00 C ATOM 613 CD1 TRP A 42 -35.434 4.276 -14.737 1.00 0.00 C ATOM 614 CD2 TRP A 42 -33.640 4.775 -15.983 1.00 0.00 C ATOM 615 NE1 TRP A 42 -35.760 4.053 -16.053 1.00 0.00 N ATOM 616 CE2 TRP A 42 -34.678 4.353 -16.837 1.00 0.00 C ATOM 617 CE3 TRP A 42 -32.414 5.142 -16.543 1.00 0.00 C ATOM 618 CZ2 TRP A 42 -34.523 4.288 -18.219 1.00 0.00 C ATOM 619 CZ3 TRP A 42 -32.262 5.077 -17.915 1.00 0.00 C ATOM 620 CH2 TRP A 42 -33.312 4.653 -18.741 1.00 0.00 C ATOM 0 H TRP A 42 -32.064 5.291 -11.334 1.00 0.00 H new ATOM 0 HA TRP A 42 -33.637 3.204 -12.357 1.00 0.00 H new ATOM 0 HB2 TRP A 42 -34.078 5.602 -12.715 1.00 0.00 H new ATOM 0 HB3 TRP A 42 -32.596 5.763 -13.636 1.00 0.00 H new ATOM 0 HD1 TRP A 42 -36.099 4.124 -13.900 1.00 0.00 H new ATOM 0 HE1 TRP A 42 -36.662 3.718 -16.391 1.00 0.00 H new ATOM 0 HE3 TRP A 42 -31.599 5.471 -15.915 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 -35.331 3.961 -18.857 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 -31.318 5.358 -18.358 1.00 0.00 H new ATOM 0 HH2 TRP A 42 -33.162 4.614 -19.810 1.00 0.00 H new ATOM 631 N LEU A 43 -30.638 3.467 -13.644 1.00 0.00 N ATOM 632 CA LEU A 43 -29.662 2.805 -14.502 1.00 0.00 C ATOM 633 C LEU A 43 -29.238 1.464 -13.910 1.00 0.00 C ATOM 634 O LEU A 43 -29.106 0.473 -14.628 1.00 0.00 O ATOM 635 CB LEU A 43 -28.436 3.698 -14.699 1.00 0.00 C ATOM 636 CG LEU A 43 -28.709 5.101 -15.244 1.00 0.00 C ATOM 637 CD1 LEU A 43 -27.796 6.119 -14.579 1.00 0.00 C ATOM 638 CD2 LEU A 43 -28.531 5.129 -16.755 1.00 0.00 C ATOM 0 H LEU A 43 -30.260 4.236 -13.090 1.00 0.00 H new ATOM 0 HA LEU A 43 -30.130 2.624 -15.469 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -27.924 3.795 -13.742 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -27.749 3.193 -15.378 1.00 0.00 H new ATOM 0 HG LEU A 43 -29.741 5.365 -15.014 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -28.005 7.111 -14.979 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -27.972 6.117 -13.503 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -26.756 5.859 -14.777 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -28.729 6.135 -17.126 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -27.509 4.844 -17.006 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -29.227 4.428 -17.216 1.00 0.00 H new ATOM 650 N GLN A 44 -29.029 1.442 -12.598 1.00 0.00 N ATOM 651 CA GLN A 44 -28.621 0.222 -11.910 1.00 0.00 C ATOM 652 C GLN A 44 -29.740 -0.814 -11.932 1.00 0.00 C ATOM 653 O GLN A 44 -29.499 -1.996 -12.178 1.00 0.00 O ATOM 654 CB GLN A 44 -28.227 0.534 -10.466 1.00 0.00 C ATOM 655 CG GLN A 44 -26.943 1.338 -10.346 1.00 0.00 C ATOM 656 CD GLN A 44 -25.948 0.710 -9.389 1.00 0.00 C ATOM 657 OE1 GLN A 44 -25.738 -0.503 -9.402 1.00 0.00 O ATOM 658 NE2 GLN A 44 -25.329 1.535 -8.553 1.00 0.00 N ATOM 0 H GLN A 44 -29.135 2.254 -11.990 1.00 0.00 H new ATOM 0 HA GLN A 44 -27.758 -0.190 -12.433 1.00 0.00 H new ATOM 0 HB2 GLN A 44 -29.037 1.085 -9.988 1.00 0.00 H new ATOM 0 HB3 GLN A 44 -28.112 -0.402 -9.919 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -26.485 1.432 -11.330 1.00 0.00 H new ATOM 0 HG3 GLN A 44 -27.181 2.346 -10.007 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -25.534 2.534 -8.577 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -24.648 1.170 -7.887 1.00 0.00 H new ATOM 667 N SER A 45 -30.963 -0.363 -11.674 1.00 0.00 N ATOM 668 CA SER A 45 -32.119 -1.253 -11.660 1.00 0.00 C ATOM 669 C SER A 45 -32.204 -2.053 -12.956 1.00 0.00 C ATOM 670 O SER A 45 -32.362 -3.274 -12.937 1.00 0.00 O ATOM 671 CB SER A 45 -33.405 -0.450 -11.457 1.00 0.00 C ATOM 672 OG SER A 45 -34.518 -1.117 -12.026 1.00 0.00 O ATOM 0 H SER A 45 -31.180 0.613 -11.472 1.00 0.00 H new ATOM 0 HA SER A 45 -32.000 -1.950 -10.831 1.00 0.00 H new ATOM 0 HB2 SER A 45 -33.576 -0.294 -10.392 1.00 0.00 H new ATOM 0 HB3 SER A 45 -33.297 0.536 -11.910 1.00 0.00 H new ATOM 0 HG SER A 45 -35.328 -0.584 -11.881 1.00 0.00 H new ATOM 678 N LYS A 46 -32.099 -1.356 -14.082 1.00 0.00 N ATOM 679 CA LYS A 46 -32.163 -1.998 -15.389 1.00 0.00 C ATOM 680 C LYS A 46 -31.051 -3.031 -15.543 1.00 0.00 C ATOM 681 O LYS A 46 -31.198 -4.012 -16.271 1.00 0.00 O ATOM 682 CB LYS A 46 -32.058 -0.951 -16.501 1.00 0.00 C ATOM 683 CG LYS A 46 -33.230 0.014 -16.540 1.00 0.00 C ATOM 684 CD LYS A 46 -34.538 -0.708 -16.820 1.00 0.00 C ATOM 685 CE LYS A 46 -35.657 0.271 -17.139 1.00 0.00 C ATOM 686 NZ LYS A 46 -36.994 -0.383 -17.098 1.00 0.00 N ATOM 0 H LYS A 46 -31.969 -0.345 -14.115 1.00 0.00 H new ATOM 0 HA LYS A 46 -33.123 -2.508 -15.468 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -31.136 -0.385 -16.369 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -31.985 -1.460 -17.462 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -33.301 0.541 -15.588 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -33.057 0.767 -17.309 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -34.404 -1.394 -17.656 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -34.815 -1.310 -15.955 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -35.633 1.095 -16.425 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -35.493 0.701 -18.127 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -37.730 0.317 -17.321 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -37.026 -1.153 -17.797 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -37.162 -0.771 -16.148 1.00 0.00 H new ATOM 700 N GLY A 47 -29.939 -2.805 -14.850 1.00 0.00 N ATOM 701 CA GLY A 47 -28.820 -3.726 -14.922 1.00 0.00 C ATOM 702 C GLY A 47 -27.686 -3.194 -15.776 1.00 0.00 C ATOM 703 O GLY A 47 -27.022 -3.953 -16.482 1.00 0.00 O ATOM 0 H GLY A 47 -29.793 -2.001 -14.240 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -28.451 -3.924 -13.916 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -29.162 -4.678 -15.329 1.00 0.00 H new ATOM 707 N PHE A 48 -27.463 -1.885 -15.712 1.00 0.00 N ATOM 708 CA PHE A 48 -26.403 -1.251 -16.488 1.00 0.00 C ATOM 709 C PHE A 48 -25.103 -1.200 -15.691 1.00 0.00 C ATOM 710 O PHE A 48 -25.117 -1.054 -14.469 1.00 0.00 O ATOM 711 CB PHE A 48 -26.819 0.162 -16.900 1.00 0.00 C ATOM 712 CG PHE A 48 -27.755 0.194 -18.074 1.00 0.00 C ATOM 713 CD1 PHE A 48 -27.282 -0.011 -19.360 1.00 0.00 C ATOM 714 CD2 PHE A 48 -29.109 0.427 -17.891 1.00 0.00 C ATOM 715 CE1 PHE A 48 -28.141 0.019 -20.442 1.00 0.00 C ATOM 716 CE2 PHE A 48 -29.973 0.457 -18.970 1.00 0.00 C ATOM 717 CZ PHE A 48 -29.489 0.252 -20.247 1.00 0.00 C ATOM 0 H PHE A 48 -28.002 -1.243 -15.131 1.00 0.00 H new ATOM 0 HA PHE A 48 -26.236 -1.848 -17.385 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -27.296 0.653 -16.052 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -25.926 0.739 -17.142 1.00 0.00 H new ATOM 0 HD1 PHE A 48 -26.230 -0.196 -19.519 1.00 0.00 H new ATOM 0 HD2 PHE A 48 -29.493 0.587 -16.894 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -27.759 -0.140 -21.440 1.00 0.00 H new ATOM 0 HE2 PHE A 48 -31.026 0.641 -18.814 1.00 0.00 H new ATOM 0 HZ PHE A 48 -30.162 0.274 -21.091 1.00 0.00 H new ATOM 727 N ASN A 49 -23.981 -1.321 -16.393 1.00 0.00 N ATOM 728 CA ASN A 49 -22.671 -1.289 -15.751 1.00 0.00 C ATOM 729 C ASN A 49 -22.519 -0.040 -14.888 1.00 0.00 C ATOM 730 O ASN A 49 -23.173 0.979 -15.106 1.00 0.00 O ATOM 731 CB ASN A 49 -21.563 -1.332 -16.805 1.00 0.00 C ATOM 732 CG ASN A 49 -21.477 -0.048 -17.607 1.00 0.00 C ATOM 733 OD1 ASN A 49 -22.379 0.788 -17.559 1.00 0.00 O ATOM 734 ND2 ASN A 49 -20.387 0.115 -18.348 1.00 0.00 N ATOM 0 H ASN A 49 -23.952 -1.442 -17.405 1.00 0.00 H new ATOM 0 HA ASN A 49 -22.587 -2.166 -15.109 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -20.607 -1.516 -16.315 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -21.741 -2.168 -17.481 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -20.272 0.960 -18.908 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -19.664 -0.605 -18.357 1.00 0.00 H new ATOM 741 N PRO A 50 -21.633 -0.120 -13.883 1.00 0.00 N ATOM 742 CA PRO A 50 -21.373 0.994 -12.967 1.00 0.00 C ATOM 743 C PRO A 50 -20.643 2.147 -13.649 1.00 0.00 C ATOM 744 O PRO A 50 -20.780 3.304 -13.252 1.00 0.00 O ATOM 745 CB PRO A 50 -20.489 0.366 -11.887 1.00 0.00 C ATOM 746 CG PRO A 50 -19.826 -0.785 -12.562 1.00 0.00 C ATOM 747 CD PRO A 50 -20.818 -1.304 -13.565 1.00 0.00 C ATOM 0 HA PRO A 50 -22.295 1.429 -12.582 1.00 0.00 H new ATOM 0 HB2 PRO A 50 -19.756 1.080 -11.511 1.00 0.00 H new ATOM 0 HB3 PRO A 50 -21.081 0.037 -11.033 1.00 0.00 H new ATOM 0 HG2 PRO A 50 -18.904 -0.472 -13.051 1.00 0.00 H new ATOM 0 HG3 PRO A 50 -19.558 -1.558 -11.842 1.00 0.00 H new ATOM 0 HD2 PRO A 50 -20.323 -1.701 -14.451 1.00 0.00 H new ATOM 0 HD3 PRO A 50 -21.424 -2.110 -13.151 1.00 0.00 H new ATOM 755 N VAL A 51 -19.867 1.823 -14.679 1.00 0.00 N ATOM 756 CA VAL A 51 -19.116 2.832 -15.417 1.00 0.00 C ATOM 757 C VAL A 51 -20.050 3.852 -16.058 1.00 0.00 C ATOM 758 O VAL A 51 -19.651 4.980 -16.348 1.00 0.00 O ATOM 759 CB VAL A 51 -18.244 2.191 -16.513 1.00 0.00 C ATOM 760 CG1 VAL A 51 -17.483 3.260 -17.283 1.00 0.00 C ATOM 761 CG2 VAL A 51 -17.286 1.177 -15.906 1.00 0.00 C ATOM 0 H VAL A 51 -19.742 0.870 -15.021 1.00 0.00 H new ATOM 0 HA VAL A 51 -18.471 3.336 -14.698 1.00 0.00 H new ATOM 0 HB VAL A 51 -18.896 1.668 -17.212 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -16.872 2.789 -18.053 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -18.191 3.945 -17.750 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -16.840 3.813 -16.598 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -16.678 0.734 -16.694 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -16.638 1.675 -15.184 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -17.855 0.395 -15.404 1.00 0.00 H new ATOM 771 N THR A 52 -21.298 3.448 -16.277 1.00 0.00 N ATOM 772 CA THR A 52 -22.290 4.327 -16.884 1.00 0.00 C ATOM 773 C THR A 52 -23.080 5.082 -15.821 1.00 0.00 C ATOM 774 O THR A 52 -23.297 6.288 -15.935 1.00 0.00 O ATOM 775 CB THR A 52 -23.270 3.537 -17.772 1.00 0.00 C ATOM 776 OG1 THR A 52 -22.574 2.975 -18.890 1.00 0.00 O ATOM 777 CG2 THR A 52 -24.394 4.435 -18.268 1.00 0.00 C ATOM 0 H THR A 52 -21.645 2.518 -16.043 1.00 0.00 H new ATOM 0 HA THR A 52 -21.745 5.041 -17.502 1.00 0.00 H new ATOM 0 HB THR A 52 -23.703 2.735 -17.174 1.00 0.00 H new ATOM 0 HG1 THR A 52 -22.124 2.150 -18.614 1.00 0.00 H new ATOM 0 HG21 THR A 52 -25.074 3.856 -18.893 1.00 0.00 H new ATOM 0 HG22 THR A 52 -24.940 4.839 -17.416 1.00 0.00 H new ATOM 0 HG23 THR A 52 -23.974 5.255 -18.851 1.00 0.00 H new ATOM 785 N VAL A 53 -23.508 4.364 -14.787 1.00 0.00 N ATOM 786 CA VAL A 53 -24.272 4.967 -13.702 1.00 0.00 C ATOM 787 C VAL A 53 -23.458 6.037 -12.984 1.00 0.00 C ATOM 788 O VAL A 53 -24.011 6.910 -12.317 1.00 0.00 O ATOM 789 CB VAL A 53 -24.725 3.909 -12.678 1.00 0.00 C ATOM 790 CG1 VAL A 53 -25.617 4.537 -11.619 1.00 0.00 C ATOM 791 CG2 VAL A 53 -25.440 2.763 -13.378 1.00 0.00 C ATOM 0 H VAL A 53 -23.338 3.364 -14.678 1.00 0.00 H new ATOM 0 HA VAL A 53 -25.152 5.426 -14.153 1.00 0.00 H new ATOM 0 HB VAL A 53 -23.841 3.507 -12.182 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -25.927 3.774 -10.905 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -25.067 5.320 -11.097 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -26.498 4.968 -12.094 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -25.753 2.025 -12.640 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -26.316 3.146 -13.902 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -24.764 2.296 -14.094 1.00 0.00 H new ATOM 801 N ASN A 54 -22.138 5.963 -13.127 1.00 0.00 N ATOM 802 CA ASN A 54 -21.246 6.926 -12.491 1.00 0.00 C ATOM 803 C ASN A 54 -21.145 8.203 -13.319 1.00 0.00 C ATOM 804 O ASN A 54 -21.151 9.309 -12.778 1.00 0.00 O ATOM 805 CB ASN A 54 -19.855 6.316 -12.302 1.00 0.00 C ATOM 806 CG ASN A 54 -19.455 6.231 -10.842 1.00 0.00 C ATOM 807 OD1 ASN A 54 -18.870 7.164 -10.292 1.00 0.00 O ATOM 808 ND2 ASN A 54 -19.769 5.108 -10.207 1.00 0.00 N ATOM 0 H ASN A 54 -21.663 5.247 -13.677 1.00 0.00 H new ATOM 0 HA ASN A 54 -21.661 7.179 -11.515 1.00 0.00 H new ATOM 0 HB2 ASN A 54 -19.836 5.318 -12.740 1.00 0.00 H new ATOM 0 HB3 ASN A 54 -19.122 6.915 -12.843 1.00 0.00 H new ATOM 0 HD21 ASN A 54 -19.525 4.993 -9.223 1.00 0.00 H new ATOM 0 HD22 ASN A 54 -20.254 4.360 -10.703 1.00 0.00 H new ATOM 815 N SER A 55 -21.054 8.043 -14.636 1.00 0.00 N ATOM 816 CA SER A 55 -20.949 9.183 -15.539 1.00 0.00 C ATOM 817 C SER A 55 -22.315 9.823 -15.766 1.00 0.00 C ATOM 818 O SER A 55 -22.415 11.021 -16.036 1.00 0.00 O ATOM 819 CB SER A 55 -20.349 8.747 -16.877 1.00 0.00 C ATOM 820 OG SER A 55 -19.397 9.688 -17.340 1.00 0.00 O ATOM 0 H SER A 55 -21.051 7.135 -15.101 1.00 0.00 H new ATOM 0 HA SER A 55 -20.293 9.921 -15.078 1.00 0.00 H new ATOM 0 HB2 SER A 55 -19.876 7.771 -16.766 1.00 0.00 H new ATOM 0 HB3 SER A 55 -21.143 8.635 -17.616 1.00 0.00 H new ATOM 0 HG SER A 55 -19.027 9.385 -18.196 1.00 0.00 H new ATOM 826 N LEU A 56 -23.365 9.017 -15.656 1.00 0.00 N ATOM 827 CA LEU A 56 -24.727 9.504 -15.849 1.00 0.00 C ATOM 828 C LEU A 56 -25.499 9.496 -14.533 1.00 0.00 C ATOM 829 O LEU A 56 -26.729 9.459 -14.524 1.00 0.00 O ATOM 830 CB LEU A 56 -25.454 8.646 -16.885 1.00 0.00 C ATOM 831 CG LEU A 56 -24.702 8.392 -18.193 1.00 0.00 C ATOM 832 CD1 LEU A 56 -25.474 7.420 -19.072 1.00 0.00 C ATOM 833 CD2 LEU A 56 -24.456 9.700 -18.929 1.00 0.00 C ATOM 0 H LEU A 56 -23.300 8.024 -15.434 1.00 0.00 H new ATOM 0 HA LEU A 56 -24.672 10.531 -16.211 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -25.688 7.683 -16.431 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -26.404 9.125 -17.122 1.00 0.00 H new ATOM 0 HG LEU A 56 -23.737 7.946 -17.954 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -24.924 7.251 -19.998 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -25.598 6.473 -18.546 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -26.454 7.838 -19.303 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -23.920 9.500 -19.857 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -25.411 10.175 -19.156 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -23.861 10.364 -18.302 1.00 0.00 H new ATOM 845 N GLY A 57 -24.768 9.533 -13.423 1.00 0.00 N ATOM 846 CA GLY A 57 -25.402 9.532 -12.118 1.00 0.00 C ATOM 847 C GLY A 57 -25.442 10.912 -11.491 1.00 0.00 C ATOM 848 O GLY A 57 -25.829 11.065 -10.333 1.00 0.00 O ATOM 0 H GLY A 57 -23.749 9.564 -13.404 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -26.418 9.149 -12.212 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -24.865 8.852 -11.457 1.00 0.00 H new ATOM 852 N VAL A 58 -25.039 11.920 -12.258 1.00 0.00 N ATOM 853 CA VAL A 58 -25.030 13.294 -11.771 1.00 0.00 C ATOM 854 C VAL A 58 -25.980 14.170 -12.581 1.00 0.00 C ATOM 855 O VAL A 58 -26.344 15.268 -12.156 1.00 0.00 O ATOM 856 CB VAL A 58 -23.616 13.901 -11.829 1.00 0.00 C ATOM 857 CG1 VAL A 58 -22.736 13.309 -10.739 1.00 0.00 C ATOM 858 CG2 VAL A 58 -22.998 13.681 -13.202 1.00 0.00 C ATOM 0 H VAL A 58 -24.715 11.811 -13.219 1.00 0.00 H new ATOM 0 HA VAL A 58 -25.362 13.264 -10.733 1.00 0.00 H new ATOM 0 HB VAL A 58 -23.693 14.975 -11.658 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -21.741 13.750 -10.796 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -23.172 13.522 -9.763 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -22.663 12.230 -10.876 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -21.999 14.116 -13.225 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -22.933 12.612 -13.405 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -23.619 14.157 -13.961 1.00 0.00 H new ATOM 868 N LEU A 59 -26.380 13.678 -13.748 1.00 0.00 N ATOM 869 CA LEU A 59 -27.290 14.416 -14.618 1.00 0.00 C ATOM 870 C LEU A 59 -28.742 14.066 -14.310 1.00 0.00 C ATOM 871 O LEU A 59 -29.080 12.900 -14.109 1.00 0.00 O ATOM 872 CB LEU A 59 -26.981 14.114 -16.085 1.00 0.00 C ATOM 873 CG LEU A 59 -25.664 14.675 -16.623 1.00 0.00 C ATOM 874 CD1 LEU A 59 -25.505 14.342 -18.099 1.00 0.00 C ATOM 875 CD2 LEU A 59 -25.596 16.179 -16.404 1.00 0.00 C ATOM 0 H LEU A 59 -26.089 12.772 -14.114 1.00 0.00 H new ATOM 0 HA LEU A 59 -27.146 15.481 -14.434 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -26.973 13.032 -16.219 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -27.795 14.505 -16.695 1.00 0.00 H new ATOM 0 HG LEU A 59 -24.843 14.211 -16.076 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -24.562 14.749 -18.464 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -25.508 13.260 -18.230 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -26.331 14.778 -18.661 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -24.652 16.561 -16.793 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -26.424 16.660 -16.924 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -25.663 16.395 -15.338 1.00 0.00 H new ATOM 887 N ASN A 60 -29.596 15.083 -14.276 1.00 0.00 N ATOM 888 CA ASN A 60 -31.013 14.882 -13.994 1.00 0.00 C ATOM 889 C ASN A 60 -31.720 14.245 -15.187 1.00 0.00 C ATOM 890 O ASN A 60 -31.196 14.234 -16.299 1.00 0.00 O ATOM 891 CB ASN A 60 -31.679 16.215 -13.645 1.00 0.00 C ATOM 892 CG ASN A 60 -31.462 17.267 -14.715 1.00 0.00 C ATOM 893 OD1 ASN A 60 -32.090 17.231 -15.773 1.00 0.00 O ATOM 894 ND2 ASN A 60 -30.570 18.212 -14.443 1.00 0.00 N ATOM 0 H ASN A 60 -29.332 16.055 -14.440 1.00 0.00 H new ATOM 0 HA ASN A 60 -31.096 14.207 -13.142 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -32.749 16.058 -13.505 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -31.283 16.578 -12.697 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -30.382 18.947 -15.124 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -30.072 18.203 -13.553 1.00 0.00 H new ATOM 901 N GLY A 61 -32.915 13.715 -14.945 1.00 0.00 N ATOM 902 CA GLY A 61 -33.675 13.084 -16.008 1.00 0.00 C ATOM 903 C GLY A 61 -33.814 13.972 -17.228 1.00 0.00 C ATOM 904 O GLY A 61 -33.774 13.493 -18.361 1.00 0.00 O ATOM 0 H GLY A 61 -33.370 13.711 -14.032 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -33.188 12.152 -16.295 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -34.666 12.824 -15.637 1.00 0.00 H new ATOM 908 N ALA A 62 -33.980 15.270 -16.997 1.00 0.00 N ATOM 909 CA ALA A 62 -34.126 16.228 -18.086 1.00 0.00 C ATOM 910 C ALA A 62 -32.895 16.227 -18.986 1.00 0.00 C ATOM 911 O ALA A 62 -33.001 16.040 -20.198 1.00 0.00 O ATOM 912 CB ALA A 62 -34.376 17.623 -17.532 1.00 0.00 C ATOM 0 H ALA A 62 -34.017 15.683 -16.065 1.00 0.00 H new ATOM 0 HA ALA A 62 -34.984 15.929 -18.688 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -34.483 18.328 -18.356 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -35.289 17.620 -16.936 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -33.535 17.922 -16.906 1.00 0.00 H new ATOM 918 N GLN A 63 -31.728 16.436 -18.385 1.00 0.00 N ATOM 919 CA GLN A 63 -30.477 16.461 -19.134 1.00 0.00 C ATOM 920 C GLN A 63 -30.235 15.127 -19.833 1.00 0.00 C ATOM 921 O GLN A 63 -29.948 15.085 -21.030 1.00 0.00 O ATOM 922 CB GLN A 63 -29.306 16.781 -18.202 1.00 0.00 C ATOM 923 CG GLN A 63 -29.392 18.161 -17.570 1.00 0.00 C ATOM 924 CD GLN A 63 -28.419 19.146 -18.185 1.00 0.00 C ATOM 925 OE1 GLN A 63 -27.688 19.840 -17.477 1.00 0.00 O ATOM 926 NE2 GLN A 63 -28.403 19.214 -19.512 1.00 0.00 N ATOM 0 H GLN A 63 -31.623 16.590 -17.382 1.00 0.00 H new ATOM 0 HA GLN A 63 -30.552 17.240 -19.892 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -29.265 16.031 -17.412 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -28.374 16.705 -18.763 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -30.407 18.543 -17.678 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -29.194 18.080 -16.501 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -29.026 18.621 -20.061 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -27.768 19.859 -19.982 1.00 0.00 H new ATOM 935 N LEU A 64 -30.353 14.040 -19.079 1.00 0.00 N ATOM 936 CA LEU A 64 -30.147 12.703 -19.627 1.00 0.00 C ATOM 937 C LEU A 64 -31.069 12.454 -20.816 1.00 0.00 C ATOM 938 O LEU A 64 -30.673 11.832 -21.802 1.00 0.00 O ATOM 939 CB LEU A 64 -30.389 11.646 -18.548 1.00 0.00 C ATOM 940 CG LEU A 64 -30.288 10.189 -19.002 1.00 0.00 C ATOM 941 CD1 LEU A 64 -29.342 9.413 -18.099 1.00 0.00 C ATOM 942 CD2 LEU A 64 -31.664 9.540 -19.019 1.00 0.00 C ATOM 0 H LEU A 64 -30.590 14.057 -18.087 1.00 0.00 H new ATOM 0 HA LEU A 64 -29.115 12.632 -19.971 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -29.671 11.806 -17.744 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -31.381 11.806 -18.126 1.00 0.00 H new ATOM 0 HG LEU A 64 -29.887 10.171 -20.015 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -29.283 8.379 -18.437 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -28.351 9.865 -18.137 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -29.714 9.439 -17.075 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -31.573 8.504 -19.344 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -32.093 9.570 -18.017 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -32.313 10.081 -19.708 1.00 0.00 H new ATOM 954 N PHE A 65 -32.300 12.944 -20.716 1.00 0.00 N ATOM 955 CA PHE A 65 -33.279 12.775 -21.784 1.00 0.00 C ATOM 956 C PHE A 65 -32.841 13.515 -23.044 1.00 0.00 C ATOM 957 O PHE A 65 -33.266 13.183 -24.151 1.00 0.00 O ATOM 958 CB PHE A 65 -34.650 13.281 -21.332 1.00 0.00 C ATOM 959 CG PHE A 65 -35.462 12.246 -20.607 1.00 0.00 C ATOM 960 CD1 PHE A 65 -34.842 11.265 -19.850 1.00 0.00 C ATOM 961 CD2 PHE A 65 -36.846 12.254 -20.682 1.00 0.00 C ATOM 962 CE1 PHE A 65 -35.585 10.311 -19.181 1.00 0.00 C ATOM 963 CE2 PHE A 65 -37.595 11.303 -20.015 1.00 0.00 C ATOM 964 CZ PHE A 65 -36.964 10.330 -19.265 1.00 0.00 C ATOM 0 H PHE A 65 -32.644 13.461 -19.907 1.00 0.00 H new ATOM 0 HA PHE A 65 -33.350 11.712 -22.014 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -34.513 14.145 -20.682 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -35.208 13.623 -22.204 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -33.764 11.246 -19.782 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -37.345 13.012 -21.268 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -35.089 9.552 -18.594 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -38.673 11.321 -20.080 1.00 0.00 H new ATOM 0 HZ PHE A 65 -37.548 9.585 -18.745 1.00 0.00 H new ATOM 974 N SER A 66 -31.990 14.521 -22.868 1.00 0.00 N ATOM 975 CA SER A 66 -31.498 15.311 -23.990 1.00 0.00 C ATOM 976 C SER A 66 -30.391 14.570 -24.733 1.00 0.00 C ATOM 977 O SER A 66 -30.205 14.752 -25.937 1.00 0.00 O ATOM 978 CB SER A 66 -30.980 16.665 -23.499 1.00 0.00 C ATOM 979 OG SER A 66 -30.973 17.619 -24.547 1.00 0.00 O ATOM 0 H SER A 66 -31.627 14.808 -21.959 1.00 0.00 H new ATOM 0 HA SER A 66 -32.327 15.474 -24.678 1.00 0.00 H new ATOM 0 HB2 SER A 66 -31.606 17.023 -22.682 1.00 0.00 H new ATOM 0 HB3 SER A 66 -29.972 16.550 -23.101 1.00 0.00 H new ATOM 0 HG SER A 66 -30.639 18.476 -24.207 1.00 0.00 H new ATOM 985 N LEU A 67 -29.659 13.732 -24.008 1.00 0.00 N ATOM 986 CA LEU A 67 -28.569 12.961 -24.597 1.00 0.00 C ATOM 987 C LEU A 67 -29.108 11.878 -25.525 1.00 0.00 C ATOM 988 O LEU A 67 -29.912 11.041 -25.117 1.00 0.00 O ATOM 989 CB LEU A 67 -27.714 12.328 -23.498 1.00 0.00 C ATOM 990 CG LEU A 67 -27.145 13.288 -22.452 1.00 0.00 C ATOM 991 CD1 LEU A 67 -26.460 12.516 -21.336 1.00 0.00 C ATOM 992 CD2 LEU A 67 -26.177 14.267 -23.099 1.00 0.00 C ATOM 0 H LEU A 67 -29.800 13.569 -23.011 1.00 0.00 H new ATOM 0 HA LEU A 67 -27.951 13.641 -25.183 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -28.316 11.578 -22.984 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -26.883 11.802 -23.969 1.00 0.00 H new ATOM 0 HG LEU A 67 -27.969 13.855 -22.020 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -26.061 13.215 -20.601 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -27.181 11.856 -20.854 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -25.645 11.922 -21.751 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -25.782 14.943 -22.341 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -25.356 13.717 -23.558 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -26.699 14.844 -23.862 1.00 0.00 H new ATOM 1004 N ASN A 68 -28.658 11.900 -26.776 1.00 0.00 N ATOM 1005 CA ASN A 68 -29.094 10.919 -27.762 1.00 0.00 C ATOM 1006 C ASN A 68 -28.185 9.694 -27.749 1.00 0.00 C ATOM 1007 O ASN A 68 -27.343 9.541 -26.865 1.00 0.00 O ATOM 1008 CB ASN A 68 -29.109 11.542 -29.160 1.00 0.00 C ATOM 1009 CG ASN A 68 -29.382 13.033 -29.125 1.00 0.00 C ATOM 1010 OD1 ASN A 68 -30.527 13.463 -28.987 1.00 0.00 O ATOM 1011 ND2 ASN A 68 -28.327 13.830 -29.251 1.00 0.00 N ATOM 0 H ASN A 68 -27.992 12.587 -27.130 1.00 0.00 H new ATOM 0 HA ASN A 68 -30.104 10.603 -27.501 1.00 0.00 H new ATOM 0 HB2 ASN A 68 -28.150 11.362 -29.645 1.00 0.00 H new ATOM 0 HB3 ASN A 68 -29.870 11.050 -29.766 1.00 0.00 H new ATOM 0 HD21 ASN A 68 -28.448 14.843 -29.235 1.00 0.00 H new ATOM 0 HD22 ASN A 68 -27.396 13.429 -29.363 1.00 0.00 H new ATOM 1018 N LYS A 69 -28.362 8.822 -28.737 1.00 0.00 N ATOM 1019 CA LYS A 69 -27.557 7.611 -28.842 1.00 0.00 C ATOM 1020 C LYS A 69 -26.081 7.952 -29.020 1.00 0.00 C ATOM 1021 O LYS A 69 -25.206 7.138 -28.722 1.00 0.00 O ATOM 1022 CB LYS A 69 -28.039 6.754 -30.015 1.00 0.00 C ATOM 1023 CG LYS A 69 -27.519 5.328 -29.980 1.00 0.00 C ATOM 1024 CD LYS A 69 -27.841 4.585 -31.266 1.00 0.00 C ATOM 1025 CE LYS A 69 -27.702 3.081 -31.091 1.00 0.00 C ATOM 1026 NZ LYS A 69 -26.368 2.592 -31.535 1.00 0.00 N ATOM 0 H LYS A 69 -29.056 8.932 -29.476 1.00 0.00 H new ATOM 0 HA LYS A 69 -27.672 7.047 -27.916 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -29.129 6.735 -30.016 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -27.728 7.223 -30.949 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -26.440 5.337 -29.824 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -27.959 4.800 -29.134 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -28.857 4.823 -31.580 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -27.174 4.923 -32.059 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -27.853 2.822 -30.043 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -28.482 2.576 -31.660 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -26.255 1.595 -31.261 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -26.293 2.678 -32.569 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -25.622 3.161 -31.086 1.00 0.00 H new ATOM 1040 N ASP A 70 -25.812 9.158 -29.505 1.00 0.00 N ATOM 1041 CA ASP A 70 -24.441 9.608 -29.720 1.00 0.00 C ATOM 1042 C ASP A 70 -23.845 10.170 -28.433 1.00 0.00 C ATOM 1043 O ASP A 70 -22.837 9.670 -27.936 1.00 0.00 O ATOM 1044 CB ASP A 70 -24.396 10.667 -30.823 1.00 0.00 C ATOM 1045 CG ASP A 70 -23.383 10.336 -31.902 1.00 0.00 C ATOM 1046 OD1 ASP A 70 -23.287 9.150 -32.282 1.00 0.00 O ATOM 1047 OD2 ASP A 70 -22.688 11.263 -32.367 1.00 0.00 O ATOM 0 H ASP A 70 -26.525 9.843 -29.757 1.00 0.00 H new ATOM 0 HA ASP A 70 -23.847 8.748 -30.029 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -25.384 10.761 -31.273 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -24.152 11.635 -30.384 1.00 0.00 H new ATOM 1052 N GLU A 71 -24.476 11.211 -27.900 1.00 0.00 N ATOM 1053 CA GLU A 71 -24.007 11.842 -26.672 1.00 0.00 C ATOM 1054 C GLU A 71 -23.810 10.805 -25.570 1.00 0.00 C ATOM 1055 O GLU A 71 -22.835 10.858 -24.819 1.00 0.00 O ATOM 1056 CB GLU A 71 -24.998 12.912 -26.211 1.00 0.00 C ATOM 1057 CG GLU A 71 -25.083 14.107 -27.145 1.00 0.00 C ATOM 1058 CD GLU A 71 -24.496 15.366 -26.538 1.00 0.00 C ATOM 1059 OE1 GLU A 71 -25.239 16.095 -25.848 1.00 0.00 O ATOM 1060 OE2 GLU A 71 -23.292 15.621 -26.752 1.00 0.00 O ATOM 0 H GLU A 71 -25.313 11.635 -28.299 1.00 0.00 H new ATOM 0 HA GLU A 71 -23.046 12.314 -26.879 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -25.987 12.463 -26.118 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -24.710 13.258 -25.218 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -24.558 13.877 -28.072 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -26.126 14.286 -27.405 1.00 0.00 H new ATOM 1067 N LEU A 72 -24.743 9.864 -25.478 1.00 0.00 N ATOM 1068 CA LEU A 72 -24.674 8.815 -24.467 1.00 0.00 C ATOM 1069 C LEU A 72 -23.540 7.841 -24.769 1.00 0.00 C ATOM 1070 O LEU A 72 -22.895 7.321 -23.858 1.00 0.00 O ATOM 1071 CB LEU A 72 -26.003 8.061 -24.394 1.00 0.00 C ATOM 1072 CG LEU A 72 -27.078 8.680 -23.500 1.00 0.00 C ATOM 1073 CD1 LEU A 72 -28.459 8.465 -24.098 1.00 0.00 C ATOM 1074 CD2 LEU A 72 -27.006 8.096 -22.096 1.00 0.00 C ATOM 0 H LEU A 72 -25.556 9.806 -26.091 1.00 0.00 H new ATOM 0 HA LEU A 72 -24.477 9.286 -23.504 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -26.404 7.974 -25.404 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -25.805 7.049 -24.042 1.00 0.00 H new ATOM 0 HG LEU A 72 -26.896 9.753 -23.436 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -29.211 8.912 -23.448 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -28.506 8.932 -25.082 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -28.652 7.396 -24.194 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -27.778 8.548 -21.474 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -27.162 7.018 -22.142 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -26.026 8.303 -21.666 1.00 0.00 H new ATOM 1086 N ARG A 73 -23.301 7.599 -26.054 1.00 0.00 N ATOM 1087 CA ARG A 73 -22.245 6.688 -26.477 1.00 0.00 C ATOM 1088 C ARG A 73 -20.868 7.293 -26.214 1.00 0.00 C ATOM 1089 O ARG A 73 -19.882 6.573 -26.054 1.00 0.00 O ATOM 1090 CB ARG A 73 -22.392 6.357 -27.963 1.00 0.00 C ATOM 1091 CG ARG A 73 -21.223 5.569 -28.531 1.00 0.00 C ATOM 1092 CD ARG A 73 -21.664 4.656 -29.664 1.00 0.00 C ATOM 1093 NE ARG A 73 -20.618 3.709 -30.042 1.00 0.00 N ATOM 1094 CZ ARG A 73 -19.572 4.031 -30.794 1.00 0.00 C ATOM 1095 NH1 ARG A 73 -19.433 5.269 -31.246 1.00 0.00 N ATOM 1096 NH2 ARG A 73 -18.662 3.113 -31.096 1.00 0.00 N ATOM 0 H ARG A 73 -23.825 8.022 -26.820 1.00 0.00 H new ATOM 0 HA ARG A 73 -22.338 5.770 -25.896 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -23.309 5.787 -28.110 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -22.500 7.285 -28.524 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -20.460 6.258 -28.894 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -20.765 4.974 -27.740 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -22.557 4.109 -29.362 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -21.938 5.259 -30.530 1.00 0.00 H new ATOM 0 HE ARG A 73 -20.695 2.748 -29.710 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -20.130 5.977 -31.016 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -18.629 5.514 -31.823 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -18.766 2.159 -30.750 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -17.859 3.362 -31.674 1.00 0.00 H new ATOM 1110 N THR A 74 -20.809 8.620 -26.171 1.00 0.00 N ATOM 1111 CA THR A 74 -19.555 9.322 -25.929 1.00 0.00 C ATOM 1112 C THR A 74 -19.190 9.302 -24.449 1.00 0.00 C ATOM 1113 O THR A 74 -18.056 8.994 -24.082 1.00 0.00 O ATOM 1114 CB THR A 74 -19.627 10.783 -26.409 1.00 0.00 C ATOM 1115 OG1 THR A 74 -20.990 11.155 -26.645 1.00 0.00 O ATOM 1116 CG2 THR A 74 -18.816 10.976 -27.682 1.00 0.00 C ATOM 0 H THR A 74 -21.616 9.231 -26.301 1.00 0.00 H new ATOM 0 HA THR A 74 -18.786 8.799 -26.497 1.00 0.00 H new ATOM 0 HB THR A 74 -19.207 11.419 -25.630 1.00 0.00 H new ATOM 0 HG1 THR A 74 -21.428 11.351 -25.791 1.00 0.00 H new ATOM 0 HG21 THR A 74 -18.882 12.016 -28.002 1.00 0.00 H new ATOM 0 HG22 THR A 74 -17.774 10.721 -27.492 1.00 0.00 H new ATOM 0 HG23 THR A 74 -19.210 10.330 -28.466 1.00 0.00 H new ATOM 1124 N VAL A 75 -20.159 9.633 -23.601 1.00 0.00 N ATOM 1125 CA VAL A 75 -19.941 9.652 -22.160 1.00 0.00 C ATOM 1126 C VAL A 75 -19.635 8.255 -21.632 1.00 0.00 C ATOM 1127 O VAL A 75 -18.822 8.088 -20.722 1.00 0.00 O ATOM 1128 CB VAL A 75 -21.165 10.214 -21.414 1.00 0.00 C ATOM 1129 CG1 VAL A 75 -22.409 9.399 -21.739 1.00 0.00 C ATOM 1130 CG2 VAL A 75 -20.910 10.237 -19.914 1.00 0.00 C ATOM 0 H VAL A 75 -21.103 9.892 -23.888 1.00 0.00 H new ATOM 0 HA VAL A 75 -19.085 10.302 -21.978 1.00 0.00 H new ATOM 0 HB VAL A 75 -21.333 11.238 -21.747 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -23.264 9.811 -21.203 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -22.600 9.438 -22.811 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -22.255 8.363 -21.436 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -21.785 10.637 -19.402 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -20.716 9.224 -19.562 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -20.046 10.867 -19.701 1.00 0.00 H new ATOM 1140 N CYS A 76 -20.290 7.254 -22.210 1.00 0.00 N ATOM 1141 CA CYS A 76 -20.088 5.869 -21.797 1.00 0.00 C ATOM 1142 C CYS A 76 -20.203 4.925 -22.990 1.00 0.00 C ATOM 1143 O CYS A 76 -20.864 5.220 -23.985 1.00 0.00 O ATOM 1144 CB CYS A 76 -21.106 5.481 -20.724 1.00 0.00 C ATOM 1145 SG CYS A 76 -22.829 5.660 -21.242 1.00 0.00 S ATOM 0 H CYS A 76 -20.965 7.375 -22.965 1.00 0.00 H new ATOM 0 HA CYS A 76 -19.084 5.782 -21.382 1.00 0.00 H new ATOM 0 HB2 CYS A 76 -20.932 4.446 -20.430 1.00 0.00 H new ATOM 0 HB3 CYS A 76 -20.938 6.096 -19.840 1.00 0.00 H new ATOM 0 HG CYS A 76 -22.881 6.338 -22.350 1.00 0.00 H new ATOM 1151 N PRO A 77 -19.544 3.761 -22.889 1.00 0.00 N ATOM 1152 CA PRO A 77 -19.555 2.750 -23.950 1.00 0.00 C ATOM 1153 C PRO A 77 -20.917 2.078 -24.095 1.00 0.00 C ATOM 1154 O PRO A 77 -21.239 1.532 -25.150 1.00 0.00 O ATOM 1155 CB PRO A 77 -18.506 1.737 -23.486 1.00 0.00 C ATOM 1156 CG PRO A 77 -18.459 1.890 -22.005 1.00 0.00 C ATOM 1157 CD PRO A 77 -18.736 3.343 -21.731 1.00 0.00 C ATOM 0 HA PRO A 77 -19.345 3.183 -24.928 1.00 0.00 H new ATOM 0 HB2 PRO A 77 -18.783 0.722 -23.770 1.00 0.00 H new ATOM 0 HB3 PRO A 77 -17.534 1.940 -23.936 1.00 0.00 H new ATOM 0 HG2 PRO A 77 -19.201 1.253 -21.523 1.00 0.00 H new ATOM 0 HG3 PRO A 77 -17.485 1.597 -21.613 1.00 0.00 H new ATOM 0 HD2 PRO A 77 -19.276 3.479 -20.794 1.00 0.00 H new ATOM 0 HD3 PRO A 77 -17.815 3.920 -21.655 1.00 0.00 H new ATOM 1165 N GLU A 78 -21.711 2.124 -23.030 1.00 0.00 N ATOM 1166 CA GLU A 78 -23.037 1.518 -23.041 1.00 0.00 C ATOM 1167 C GLU A 78 -24.105 2.554 -23.383 1.00 0.00 C ATOM 1168 O GLU A 78 -25.274 2.393 -23.036 1.00 0.00 O ATOM 1169 CB GLU A 78 -23.344 0.883 -21.683 1.00 0.00 C ATOM 1170 CG GLU A 78 -22.317 -0.149 -21.248 1.00 0.00 C ATOM 1171 CD GLU A 78 -22.040 -1.184 -22.321 1.00 0.00 C ATOM 1172 OE1 GLU A 78 -22.930 -2.020 -22.581 1.00 0.00 O ATOM 1173 OE2 GLU A 78 -20.933 -1.158 -22.900 1.00 0.00 O ATOM 0 H GLU A 78 -21.459 2.574 -22.150 1.00 0.00 H new ATOM 0 HA GLU A 78 -23.048 0.743 -23.807 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -23.400 1.668 -20.929 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -24.326 0.411 -21.726 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -21.387 0.357 -20.987 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -22.670 -0.651 -20.347 1.00 0.00 H new ATOM 1180 N GLY A 79 -23.692 3.617 -24.066 1.00 0.00 N ATOM 1181 CA GLY A 79 -24.624 4.664 -24.443 1.00 0.00 C ATOM 1182 C GLY A 79 -25.772 4.143 -25.285 1.00 0.00 C ATOM 1183 O GLY A 79 -26.938 4.310 -24.929 1.00 0.00 O ATOM 0 H GLY A 79 -22.729 3.772 -24.365 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -25.021 5.134 -23.543 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -24.092 5.437 -24.998 1.00 0.00 H new ATOM 1187 N ALA A 80 -25.441 3.511 -26.407 1.00 0.00 N ATOM 1188 CA ALA A 80 -26.453 2.963 -27.302 1.00 0.00 C ATOM 1189 C ALA A 80 -27.436 2.079 -26.543 1.00 0.00 C ATOM 1190 O ALA A 80 -28.604 1.970 -26.917 1.00 0.00 O ATOM 1191 CB ALA A 80 -25.793 2.178 -28.426 1.00 0.00 C ATOM 0 H ALA A 80 -24.480 3.366 -26.717 1.00 0.00 H new ATOM 0 HA ALA A 80 -27.011 3.794 -27.733 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -26.560 1.774 -29.087 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -25.136 2.837 -28.993 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -25.210 1.359 -28.004 1.00 0.00 H new ATOM 1197 N ARG A 81 -26.957 1.449 -25.475 1.00 0.00 N ATOM 1198 CA ARG A 81 -27.794 0.572 -24.665 1.00 0.00 C ATOM 1199 C ARG A 81 -28.653 1.382 -23.699 1.00 0.00 C ATOM 1200 O ARG A 81 -29.784 1.005 -23.390 1.00 0.00 O ATOM 1201 CB ARG A 81 -26.928 -0.419 -23.887 1.00 0.00 C ATOM 1202 CG ARG A 81 -26.122 -1.352 -24.775 1.00 0.00 C ATOM 1203 CD ARG A 81 -26.934 -2.571 -25.185 1.00 0.00 C ATOM 1204 NE ARG A 81 -26.241 -3.380 -26.185 1.00 0.00 N ATOM 1205 CZ ARG A 81 -26.107 -3.021 -27.457 1.00 0.00 C ATOM 1206 NH1 ARG A 81 -26.617 -1.873 -27.882 1.00 0.00 N ATOM 1207 NH2 ARG A 81 -25.463 -3.811 -28.306 1.00 0.00 N ATOM 0 H ARG A 81 -25.993 1.530 -25.151 1.00 0.00 H new ATOM 0 HA ARG A 81 -28.453 0.019 -25.334 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -26.245 0.136 -23.243 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -27.568 -1.014 -23.236 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -25.794 -0.816 -25.665 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -25.224 -1.673 -24.247 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -27.141 -3.181 -24.306 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -27.896 -2.248 -25.583 1.00 0.00 H new ATOM 0 HE ARG A 81 -25.838 -4.269 -25.890 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -27.113 -1.264 -27.232 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -26.513 -1.599 -28.859 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -25.070 -4.695 -27.982 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -25.361 -3.535 -29.282 1.00 0.00 H new ATOM 1221 N VAL A 82 -28.109 2.497 -23.223 1.00 0.00 N ATOM 1222 CA VAL A 82 -28.825 3.361 -22.292 1.00 0.00 C ATOM 1223 C VAL A 82 -29.932 4.134 -23.000 1.00 0.00 C ATOM 1224 O VAL A 82 -31.069 4.180 -22.529 1.00 0.00 O ATOM 1225 CB VAL A 82 -27.873 4.361 -21.608 1.00 0.00 C ATOM 1226 CG1 VAL A 82 -28.644 5.276 -20.669 1.00 0.00 C ATOM 1227 CG2 VAL A 82 -26.772 3.622 -20.861 1.00 0.00 C ATOM 0 H VAL A 82 -27.174 2.824 -23.467 1.00 0.00 H new ATOM 0 HA VAL A 82 -29.265 2.713 -21.534 1.00 0.00 H new ATOM 0 HB VAL A 82 -27.408 4.978 -22.377 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -27.955 5.975 -20.195 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -29.392 5.831 -21.235 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -29.138 4.678 -19.903 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -26.109 4.343 -20.384 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -27.216 2.979 -20.101 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -26.202 3.013 -21.563 1.00 0.00 H new ATOM 1237 N TYR A 83 -29.593 4.738 -24.133 1.00 0.00 N ATOM 1238 CA TYR A 83 -30.558 5.511 -24.906 1.00 0.00 C ATOM 1239 C TYR A 83 -31.791 4.673 -25.231 1.00 0.00 C ATOM 1240 O TYR A 83 -32.923 5.141 -25.109 1.00 0.00 O ATOM 1241 CB TYR A 83 -29.918 6.019 -26.198 1.00 0.00 C ATOM 1242 CG TYR A 83 -30.875 6.777 -27.091 1.00 0.00 C ATOM 1243 CD1 TYR A 83 -31.265 8.074 -26.782 1.00 0.00 C ATOM 1244 CD2 TYR A 83 -31.389 6.195 -28.243 1.00 0.00 C ATOM 1245 CE1 TYR A 83 -32.140 8.769 -27.594 1.00 0.00 C ATOM 1246 CE2 TYR A 83 -32.263 6.883 -29.062 1.00 0.00 C ATOM 1247 CZ TYR A 83 -32.636 8.170 -28.733 1.00 0.00 C ATOM 1248 OH TYR A 83 -33.507 8.860 -29.545 1.00 0.00 O ATOM 0 H TYR A 83 -28.657 4.707 -24.537 1.00 0.00 H new ATOM 0 HA TYR A 83 -30.869 6.364 -24.303 1.00 0.00 H new ATOM 0 HB2 TYR A 83 -29.078 6.667 -25.947 1.00 0.00 H new ATOM 0 HB3 TYR A 83 -29.513 5.171 -26.751 1.00 0.00 H new ATOM 0 HD1 TYR A 83 -30.877 8.547 -25.892 1.00 0.00 H new ATOM 0 HD2 TYR A 83 -31.100 5.187 -28.503 1.00 0.00 H new ATOM 0 HE1 TYR A 83 -32.434 9.776 -27.338 1.00 0.00 H new ATOM 0 HE2 TYR A 83 -32.652 6.416 -29.955 1.00 0.00 H new ATOM 0 HH TYR A 83 -33.761 8.297 -30.306 1.00 0.00 H new ATOM 1258 N SER A 84 -31.562 3.431 -25.645 1.00 0.00 N ATOM 1259 CA SER A 84 -32.653 2.527 -25.991 1.00 0.00 C ATOM 1260 C SER A 84 -33.600 2.341 -24.809 1.00 0.00 C ATOM 1261 O SER A 84 -34.766 1.987 -24.985 1.00 0.00 O ATOM 1262 CB SER A 84 -32.100 1.172 -26.435 1.00 0.00 C ATOM 1263 OG SER A 84 -31.726 1.196 -27.802 1.00 0.00 O ATOM 0 H SER A 84 -30.631 3.028 -25.749 1.00 0.00 H new ATOM 0 HA SER A 84 -33.212 2.970 -26.815 1.00 0.00 H new ATOM 0 HB2 SER A 84 -31.237 0.910 -25.823 1.00 0.00 H new ATOM 0 HB3 SER A 84 -32.851 0.399 -26.274 1.00 0.00 H new ATOM 0 HG SER A 84 -31.374 0.319 -28.060 1.00 0.00 H new ATOM 1269 N GLN A 85 -33.089 2.581 -23.606 1.00 0.00 N ATOM 1270 CA GLN A 85 -33.888 2.439 -22.395 1.00 0.00 C ATOM 1271 C GLN A 85 -34.559 3.758 -22.028 1.00 0.00 C ATOM 1272 O GLN A 85 -35.554 3.778 -21.302 1.00 0.00 O ATOM 1273 CB GLN A 85 -33.014 1.957 -21.236 1.00 0.00 C ATOM 1274 CG GLN A 85 -32.816 0.450 -21.209 1.00 0.00 C ATOM 1275 CD GLN A 85 -34.127 -0.311 -21.201 1.00 0.00 C ATOM 1276 OE1 GLN A 85 -34.748 -0.490 -20.153 1.00 0.00 O ATOM 1277 NE2 GLN A 85 -34.555 -0.765 -22.374 1.00 0.00 N ATOM 0 H GLN A 85 -32.126 2.875 -23.444 1.00 0.00 H new ATOM 0 HA GLN A 85 -34.665 1.699 -22.587 1.00 0.00 H new ATOM 0 HB2 GLN A 85 -32.040 2.442 -21.300 1.00 0.00 H new ATOM 0 HB3 GLN A 85 -33.466 2.273 -20.296 1.00 0.00 H new ATOM 0 HG2 GLN A 85 -32.231 0.149 -22.078 1.00 0.00 H new ATOM 0 HG3 GLN A 85 -32.238 0.179 -20.326 1.00 0.00 H new ATOM 0 HE21 GLN A 85 -34.008 -0.593 -23.218 1.00 0.00 H new ATOM 0 HE22 GLN A 85 -35.431 -1.285 -22.431 1.00 0.00 H new ATOM 1286 N ILE A 86 -34.009 4.857 -22.532 1.00 0.00 N ATOM 1287 CA ILE A 86 -34.555 6.180 -22.257 1.00 0.00 C ATOM 1288 C ILE A 86 -35.636 6.549 -23.267 1.00 0.00 C ATOM 1289 O ILE A 86 -36.591 7.256 -22.941 1.00 0.00 O ATOM 1290 CB ILE A 86 -33.456 7.259 -22.281 1.00 0.00 C ATOM 1291 CG1 ILE A 86 -32.365 6.929 -21.260 1.00 0.00 C ATOM 1292 CG2 ILE A 86 -34.054 8.630 -22.002 1.00 0.00 C ATOM 1293 CD1 ILE A 86 -31.059 7.647 -21.519 1.00 0.00 C ATOM 0 H ILE A 86 -33.185 4.858 -23.133 1.00 0.00 H new ATOM 0 HA ILE A 86 -34.992 6.140 -21.259 1.00 0.00 H new ATOM 0 HB ILE A 86 -33.005 7.276 -23.273 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -32.721 7.188 -20.263 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -32.187 5.854 -21.265 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -33.265 9.382 -22.022 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -34.798 8.864 -22.763 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -34.528 8.627 -21.020 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -30.332 7.366 -20.757 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -30.680 7.369 -22.502 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -31.223 8.724 -21.484 1.00 0.00 H new ATOM 1305 N THR A 87 -35.482 6.064 -24.495 1.00 0.00 N ATOM 1306 CA THR A 87 -36.445 6.342 -25.553 1.00 0.00 C ATOM 1307 C THR A 87 -37.857 5.955 -25.126 1.00 0.00 C ATOM 1308 O THR A 87 -38.827 6.629 -25.472 1.00 0.00 O ATOM 1309 CB THR A 87 -36.089 5.590 -26.849 1.00 0.00 C ATOM 1310 OG1 THR A 87 -37.051 5.885 -27.867 1.00 0.00 O ATOM 1311 CG2 THR A 87 -36.041 4.088 -26.608 1.00 0.00 C ATOM 0 H THR A 87 -34.699 5.476 -24.781 1.00 0.00 H new ATOM 0 HA THR A 87 -36.406 7.415 -25.742 1.00 0.00 H new ATOM 0 HB THR A 87 -35.103 5.921 -27.175 1.00 0.00 H new ATOM 0 HG1 THR A 87 -36.816 5.404 -28.688 1.00 0.00 H new ATOM 0 HG21 THR A 87 -35.788 3.578 -27.538 1.00 0.00 H new ATOM 0 HG22 THR A 87 -35.286 3.864 -25.854 1.00 0.00 H new ATOM 0 HG23 THR A 87 -37.015 3.744 -26.259 1.00 0.00 H new ATOM 1319 N VAL A 88 -37.965 4.865 -24.373 1.00 0.00 N ATOM 1320 CA VAL A 88 -39.259 4.389 -23.898 1.00 0.00 C ATOM 1321 C VAL A 88 -39.837 5.329 -22.846 1.00 0.00 C ATOM 1322 O VAL A 88 -41.052 5.392 -22.657 1.00 0.00 O ATOM 1323 CB VAL A 88 -39.152 2.973 -23.302 1.00 0.00 C ATOM 1324 CG1 VAL A 88 -38.218 2.968 -22.101 1.00 0.00 C ATOM 1325 CG2 VAL A 88 -40.528 2.452 -22.919 1.00 0.00 C ATOM 0 H VAL A 88 -37.172 4.295 -24.079 1.00 0.00 H new ATOM 0 HA VAL A 88 -39.923 4.362 -24.762 1.00 0.00 H new ATOM 0 HB VAL A 88 -38.735 2.309 -24.059 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -38.155 1.959 -21.693 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -37.226 3.297 -22.410 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -38.603 3.644 -21.338 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -40.434 1.450 -22.500 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -40.975 3.115 -22.178 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -41.163 2.416 -23.804 1.00 0.00 H new ATOM 1335 N GLN A 89 -38.959 6.059 -22.166 1.00 0.00 N ATOM 1336 CA GLN A 89 -39.384 6.996 -21.132 1.00 0.00 C ATOM 1337 C GLN A 89 -39.913 8.286 -21.751 1.00 0.00 C ATOM 1338 O GLN A 89 -40.973 8.782 -21.368 1.00 0.00 O ATOM 1339 CB GLN A 89 -38.221 7.310 -20.190 1.00 0.00 C ATOM 1340 CG GLN A 89 -37.543 6.071 -19.627 1.00 0.00 C ATOM 1341 CD GLN A 89 -38.525 5.107 -18.990 1.00 0.00 C ATOM 1342 OE1 GLN A 89 -38.479 3.902 -19.237 1.00 0.00 O ATOM 1343 NE2 GLN A 89 -39.422 5.634 -18.164 1.00 0.00 N ATOM 0 H GLN A 89 -37.950 6.020 -22.312 1.00 0.00 H new ATOM 0 HA GLN A 89 -40.188 6.530 -20.563 1.00 0.00 H new ATOM 0 HB2 GLN A 89 -37.482 7.907 -20.725 1.00 0.00 H new ATOM 0 HB3 GLN A 89 -38.587 7.920 -19.365 1.00 0.00 H new ATOM 0 HG2 GLN A 89 -37.005 5.561 -20.426 1.00 0.00 H new ATOM 0 HG3 GLN A 89 -36.802 6.372 -18.886 1.00 0.00 H new ATOM 0 HE21 GLN A 89 -39.424 6.639 -17.987 1.00 0.00 H new ATOM 0 HE22 GLN A 89 -40.108 5.034 -17.706 1.00 0.00 H new ATOM 1352 N LYS A 90 -39.169 8.825 -22.711 1.00 0.00 N ATOM 1353 CA LYS A 90 -39.563 10.056 -23.385 1.00 0.00 C ATOM 1354 C LYS A 90 -40.854 9.857 -24.172 1.00 0.00 C ATOM 1355 O LYS A 90 -41.750 10.700 -24.139 1.00 0.00 O ATOM 1356 CB LYS A 90 -38.449 10.527 -24.323 1.00 0.00 C ATOM 1357 CG LYS A 90 -37.205 11.006 -23.596 1.00 0.00 C ATOM 1358 CD LYS A 90 -35.954 10.793 -24.432 1.00 0.00 C ATOM 1359 CE LYS A 90 -35.899 11.754 -25.609 1.00 0.00 C ATOM 1360 NZ LYS A 90 -36.689 11.256 -26.770 1.00 0.00 N ATOM 0 H LYS A 90 -38.289 8.428 -23.040 1.00 0.00 H new ATOM 0 HA LYS A 90 -39.736 10.817 -22.624 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -38.177 9.709 -24.991 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -38.829 11.336 -24.948 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -37.308 12.064 -23.356 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -37.107 10.473 -22.650 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -35.071 10.930 -23.808 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -35.930 9.766 -24.798 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -36.281 12.727 -25.301 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -34.862 11.899 -25.911 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -36.198 11.499 -27.654 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -36.790 10.223 -26.703 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -37.631 11.697 -26.764 1.00 0.00 H new