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= -1.12 K(o=0.1,f=-4!) USER MOD Set 1.2: A 52 THR OG1 : rot 85:sc= 1.13 USER MOD Set 1.3: A 76 CYS SG : rot -13:sc= 0.1 USER MOD Set 2.1: A 31 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 34 SER OG : rot -120:sc= 0.998 USER MOD Single : A 29 ASN : amide:sc= -2.12 X(o=-2.1,f=-1.8) USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 THR OG1 : rot 180:sc= 0.072 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= -0.183 K(o=-0.18,f=-1.2!) 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= -2.94! C(o=-2.9!,f=-12!) USER MOD Single : A 63 GLN : amide:sc= -0.116 X(o=-0.12,f=0) USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 68 ASN : amide:sc= -1.64 K(o=-1.6,f=-8.5!) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 THR OG1 : rot 74:sc= 0.606 USER MOD Single : A 83 TYR OH : rot 180:sc= 0 USER MOD Single : A 84 SER OG : rot -56:sc= 1.2 USER MOD Single : A 85 GLN : amide:sc= -1.21 K(o=-1.2,f=-3.1!) USER MOD Single : A 87 THR OG1 : rot 180:sc= 0 USER MOD Single : A 89 GLN : amide:sc= -1.79! C(o=-1.8!,f=-4.1!) USER MOD Single : A 90 LYS NZ :NH3+ -140:sc= -0.196 (180deg=-1.05) USER MOD ----------------------------------------------------------------- ATOM 390 N ILE A 28 -38.448 1.112 -11.481 1.00 0.00 N ATOM 391 CA ILE A 28 -37.870 2.450 -11.496 1.00 0.00 C ATOM 392 C ILE A 28 -38.115 3.140 -12.833 1.00 0.00 C ATOM 393 O ILE A 28 -38.128 2.497 -13.882 1.00 0.00 O ATOM 394 CB ILE A 28 -36.355 2.411 -11.221 1.00 0.00 C ATOM 395 CG1 ILE A 28 -36.060 1.554 -9.989 1.00 0.00 C ATOM 396 CG2 ILE A 28 -35.815 3.821 -11.034 1.00 0.00 C ATOM 397 CD1 ILE A 28 -36.637 2.116 -8.709 1.00 0.00 C ATOM 0 HA ILE A 28 -38.361 3.015 -10.704 1.00 0.00 H new ATOM 0 HB ILE A 28 -35.856 1.962 -12.080 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -36.460 0.553 -10.149 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -34.981 1.452 -9.877 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -34.743 3.777 -10.840 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -35.997 4.403 -11.937 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -36.317 4.294 -10.190 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -36.389 1.456 -7.878 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -36.218 3.105 -8.525 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -37.720 2.192 -8.801 1.00 0.00 H new ATOM 409 N ASN A 29 -38.308 4.455 -12.788 1.00 0.00 N ATOM 410 CA ASN A 29 -38.552 5.233 -13.997 1.00 0.00 C ATOM 411 C ASN A 29 -38.115 6.683 -13.807 1.00 0.00 C ATOM 412 O ASN A 29 -38.064 7.184 -12.684 1.00 0.00 O ATOM 413 CB ASN A 29 -40.034 5.180 -14.372 1.00 0.00 C ATOM 414 CG ASN A 29 -40.555 3.760 -14.471 1.00 0.00 C ATOM 415 OD1 ASN A 29 -40.509 3.142 -15.535 1.00 0.00 O ATOM 416 ND2 ASN A 29 -41.055 3.235 -13.358 1.00 0.00 N ATOM 0 H ASN A 29 -38.300 5.003 -11.928 1.00 0.00 H new ATOM 0 HA ASN A 29 -37.964 4.797 -14.805 1.00 0.00 H new ATOM 0 HB2 ASN A 29 -40.614 5.726 -13.628 1.00 0.00 H new ATOM 0 HB3 ASN A 29 -40.183 5.686 -15.326 1.00 0.00 H new ATOM 0 HD21 ASN A 29 -41.421 2.283 -13.363 1.00 0.00 H new ATOM 0 HD22 ASN A 29 -41.073 3.784 -12.498 1.00 0.00 H new ATOM 423 N ILE A 30 -37.802 7.350 -14.913 1.00 0.00 N ATOM 424 CA ILE A 30 -37.372 8.742 -14.868 1.00 0.00 C ATOM 425 C ILE A 30 -38.162 9.593 -15.856 1.00 0.00 C ATOM 426 O ILE A 30 -38.689 9.087 -16.848 1.00 0.00 O ATOM 427 CB ILE A 30 -35.869 8.877 -15.179 1.00 0.00 C ATOM 428 CG1 ILE A 30 -35.501 8.033 -16.401 1.00 0.00 C ATOM 429 CG2 ILE A 30 -35.040 8.462 -13.973 1.00 0.00 C ATOM 430 CD1 ILE A 30 -34.032 8.090 -16.755 1.00 0.00 C ATOM 0 H ILE A 30 -37.838 6.949 -15.850 1.00 0.00 H new ATOM 0 HA ILE A 30 -37.559 9.098 -13.855 1.00 0.00 H new ATOM 0 HB ILE A 30 -35.651 9.921 -15.403 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -35.781 6.996 -16.214 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -36.086 8.372 -17.256 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -33.980 8.563 -14.208 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -35.286 9.101 -13.125 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -35.259 7.424 -13.721 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -33.844 7.468 -17.631 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -33.750 9.120 -16.974 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -33.441 7.723 -15.916 1.00 0.00 H new ATOM 442 N THR A 31 -38.240 10.891 -15.580 1.00 0.00 N ATOM 443 CA THR A 31 -38.966 11.815 -16.443 1.00 0.00 C ATOM 444 C THR A 31 -38.145 13.070 -16.718 1.00 0.00 C ATOM 445 O THR A 31 -37.032 13.218 -16.215 1.00 0.00 O ATOM 446 CB THR A 31 -40.315 12.222 -15.822 1.00 0.00 C ATOM 447 OG1 THR A 31 -40.162 12.436 -14.415 1.00 0.00 O ATOM 448 CG2 THR A 31 -41.368 11.153 -16.067 1.00 0.00 C ATOM 0 H THR A 31 -37.809 11.327 -14.765 1.00 0.00 H new ATOM 0 HA THR A 31 -39.151 11.292 -17.382 1.00 0.00 H new ATOM 0 HB THR A 31 -40.643 13.147 -16.295 1.00 0.00 H new ATOM 0 HG1 THR A 31 -41.024 12.696 -14.028 1.00 0.00 H new ATOM 0 HG21 THR A 31 -42.312 11.463 -15.619 1.00 0.00 H new ATOM 0 HG22 THR A 31 -41.503 11.015 -17.140 1.00 0.00 H new ATOM 0 HG23 THR A 31 -41.044 10.214 -15.618 1.00 0.00 H new ATOM 456 N TYR A 32 -38.703 13.971 -17.519 1.00 0.00 N ATOM 457 CA TYR A 32 -38.022 15.214 -17.862 1.00 0.00 C ATOM 458 C TYR A 32 -37.848 16.098 -16.630 1.00 0.00 C ATOM 459 O TYR A 32 -37.039 17.025 -16.627 1.00 0.00 O ATOM 460 CB TYR A 32 -38.804 15.968 -18.939 1.00 0.00 C ATOM 461 CG TYR A 32 -38.291 15.727 -20.340 1.00 0.00 C ATOM 462 CD1 TYR A 32 -37.006 16.110 -20.707 1.00 0.00 C ATOM 463 CD2 TYR A 32 -39.090 15.116 -21.298 1.00 0.00 C ATOM 464 CE1 TYR A 32 -36.534 15.892 -21.986 1.00 0.00 C ATOM 465 CE2 TYR A 32 -38.626 14.893 -22.580 1.00 0.00 C ATOM 466 CZ TYR A 32 -37.347 15.283 -22.919 1.00 0.00 C ATOM 467 OH TYR A 32 -36.880 15.063 -24.195 1.00 0.00 O ATOM 0 H TYR A 32 -39.625 13.864 -17.943 1.00 0.00 H new ATOM 0 HA TYR A 32 -37.034 14.963 -18.249 1.00 0.00 H new ATOM 0 HB2 TYR A 32 -39.852 15.673 -18.889 1.00 0.00 H new ATOM 0 HB3 TYR A 32 -38.763 17.036 -18.725 1.00 0.00 H new ATOM 0 HD1 TYR A 32 -36.366 16.586 -19.979 1.00 0.00 H new ATOM 0 HD2 TYR A 32 -40.092 14.810 -21.036 1.00 0.00 H new ATOM 0 HE1 TYR A 32 -35.533 16.197 -22.255 1.00 0.00 H new ATOM 0 HE2 TYR A 32 -39.261 14.416 -23.312 1.00 0.00 H new ATOM 0 HH TYR A 32 -37.576 14.624 -24.727 1.00 0.00 H new ATOM 477 N ASP A 33 -38.614 15.803 -15.586 1.00 0.00 N ATOM 478 CA ASP A 33 -38.545 16.569 -14.347 1.00 0.00 C ATOM 479 C ASP A 33 -38.055 15.696 -13.195 1.00 0.00 C ATOM 480 O ASP A 33 -38.552 15.794 -12.074 1.00 0.00 O ATOM 481 CB ASP A 33 -39.916 17.157 -14.009 1.00 0.00 C ATOM 482 CG ASP A 33 -40.304 18.291 -14.938 1.00 0.00 C ATOM 483 OD1 ASP A 33 -39.573 18.528 -15.922 1.00 0.00 O ATOM 484 OD2 ASP A 33 -41.338 18.943 -14.679 1.00 0.00 O ATOM 0 H ASP A 33 -39.290 15.039 -15.573 1.00 0.00 H new ATOM 0 HA ASP A 33 -37.834 17.383 -14.491 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -40.669 16.371 -14.065 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -39.909 17.519 -12.981 1.00 0.00 H new ATOM 489 N SER A 34 -37.078 14.842 -13.482 1.00 0.00 N ATOM 490 CA SER A 34 -36.523 13.948 -12.471 1.00 0.00 C ATOM 491 C SER A 34 -35.231 14.517 -11.893 1.00 0.00 C ATOM 492 O SER A 34 -34.674 15.482 -12.417 1.00 0.00 O ATOM 493 CB SER A 34 -36.262 12.566 -13.071 1.00 0.00 C ATOM 494 OG SER A 34 -37.447 11.789 -13.099 1.00 0.00 O ATOM 0 H SER A 34 -36.654 14.750 -14.405 1.00 0.00 H new ATOM 0 HA SER A 34 -37.251 13.855 -11.665 1.00 0.00 H new ATOM 0 HB2 SER A 34 -35.870 12.674 -14.082 1.00 0.00 H new ATOM 0 HB3 SER A 34 -35.499 12.051 -12.487 1.00 0.00 H new ATOM 0 HG SER A 34 -37.317 10.975 -12.569 1.00 0.00 H new ATOM 500 N THR A 35 -34.759 13.911 -10.808 1.00 0.00 N ATOM 501 CA THR A 35 -33.533 14.357 -10.157 1.00 0.00 C ATOM 502 C THR A 35 -32.336 13.533 -10.616 1.00 0.00 C ATOM 503 O THR A 35 -32.469 12.390 -11.055 1.00 0.00 O ATOM 504 CB THR A 35 -33.647 14.265 -8.623 1.00 0.00 C ATOM 505 OG1 THR A 35 -33.255 12.961 -8.180 1.00 0.00 O ATOM 506 CG2 THR A 35 -35.069 14.555 -8.168 1.00 0.00 C ATOM 0 H THR A 35 -35.207 13.111 -10.362 1.00 0.00 H new ATOM 0 HA THR A 35 -33.384 15.399 -10.442 1.00 0.00 H new ATOM 0 HB THR A 35 -32.983 15.011 -8.186 1.00 0.00 H new ATOM 0 HG1 THR A 35 -33.329 12.911 -7.204 1.00 0.00 H new ATOM 0 HG21 THR A 35 -35.125 14.484 -7.082 1.00 0.00 H new ATOM 0 HG22 THR A 35 -35.354 15.559 -8.481 1.00 0.00 H new ATOM 0 HG23 THR A 35 -35.749 13.829 -8.614 1.00 0.00 H new ATOM 514 N PRO A 36 -31.136 14.123 -10.514 1.00 0.00 N ATOM 515 CA PRO A 36 -29.891 13.461 -10.913 1.00 0.00 C ATOM 516 C PRO A 36 -29.517 12.317 -9.976 1.00 0.00 C ATOM 517 O PRO A 36 -28.585 11.560 -10.248 1.00 0.00 O ATOM 518 CB PRO A 36 -28.851 14.581 -10.831 1.00 0.00 C ATOM 519 CG PRO A 36 -29.408 15.544 -9.840 1.00 0.00 C ATOM 520 CD PRO A 36 -30.902 15.483 -10.000 1.00 0.00 C ATOM 0 HA PRO A 36 -29.970 13.006 -11.900 1.00 0.00 H new ATOM 0 HB2 PRO A 36 -27.882 14.199 -10.510 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -28.701 15.054 -11.802 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -29.113 15.275 -8.826 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -29.036 16.552 -10.024 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -31.414 15.648 -9.052 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -31.263 16.242 -10.694 1.00 0.00 H new ATOM 528 N GLU A 37 -30.250 12.197 -8.874 1.00 0.00 N ATOM 529 CA GLU A 37 -29.994 11.145 -7.897 1.00 0.00 C ATOM 530 C GLU A 37 -30.866 9.923 -8.172 1.00 0.00 C ATOM 531 O GLU A 37 -30.514 8.801 -7.808 1.00 0.00 O ATOM 532 CB GLU A 37 -30.251 11.660 -6.480 1.00 0.00 C ATOM 533 CG GLU A 37 -29.294 11.094 -5.444 1.00 0.00 C ATOM 534 CD GLU A 37 -29.107 12.019 -4.256 1.00 0.00 C ATOM 535 OE1 GLU A 37 -28.843 13.220 -4.476 1.00 0.00 O ATOM 536 OE2 GLU A 37 -29.224 11.542 -3.108 1.00 0.00 O ATOM 0 H GLU A 37 -31.026 12.815 -8.635 1.00 0.00 H new ATOM 0 HA GLU A 37 -28.948 10.851 -7.984 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -30.174 12.747 -6.478 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -31.273 11.412 -6.192 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -29.669 10.132 -5.095 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -28.327 10.908 -5.911 1.00 0.00 H new ATOM 543 N ASP A 38 -32.005 10.150 -8.816 1.00 0.00 N ATOM 544 CA ASP A 38 -32.928 9.069 -9.141 1.00 0.00 C ATOM 545 C ASP A 38 -32.431 8.273 -10.344 1.00 0.00 C ATOM 546 O ASP A 38 -32.559 7.049 -10.388 1.00 0.00 O ATOM 547 CB ASP A 38 -34.323 9.629 -9.426 1.00 0.00 C ATOM 548 CG ASP A 38 -35.220 9.596 -8.204 1.00 0.00 C ATOM 549 OD1 ASP A 38 -34.875 10.248 -7.197 1.00 0.00 O ATOM 550 OD2 ASP A 38 -36.268 8.917 -8.255 1.00 0.00 O ATOM 0 H ASP A 38 -32.312 11.073 -9.123 1.00 0.00 H new ATOM 0 HA ASP A 38 -32.982 8.400 -8.282 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -34.234 10.656 -9.780 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -34.785 9.054 -10.228 1.00 0.00 H new ATOM 555 N VAL A 39 -31.865 8.976 -11.320 1.00 0.00 N ATOM 556 CA VAL A 39 -31.349 8.336 -12.523 1.00 0.00 C ATOM 557 C VAL A 39 -30.314 7.271 -12.178 1.00 0.00 C ATOM 558 O VAL A 39 -30.263 6.212 -12.805 1.00 0.00 O ATOM 559 CB VAL A 39 -30.713 9.364 -13.477 1.00 0.00 C ATOM 560 CG1 VAL A 39 -30.248 8.688 -14.758 1.00 0.00 C ATOM 561 CG2 VAL A 39 -31.694 10.485 -13.783 1.00 0.00 C ATOM 0 H VAL A 39 -31.752 9.990 -11.300 1.00 0.00 H new ATOM 0 HA VAL A 39 -32.198 7.866 -13.020 1.00 0.00 H new ATOM 0 HB VAL A 39 -29.842 9.798 -12.986 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -29.801 9.430 -15.420 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -29.509 7.924 -14.518 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -31.100 8.225 -15.255 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -31.228 11.202 -14.458 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -32.585 10.070 -14.253 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -31.973 10.987 -12.857 1.00 0.00 H new ATOM 571 N LYS A 40 -29.489 7.557 -11.177 1.00 0.00 N ATOM 572 CA LYS A 40 -28.455 6.624 -10.746 1.00 0.00 C ATOM 573 C LYS A 40 -29.046 5.244 -10.476 1.00 0.00 C ATOM 574 O LYS A 40 -28.496 4.227 -10.900 1.00 0.00 O ATOM 575 CB LYS A 40 -27.759 7.148 -9.487 1.00 0.00 C ATOM 576 CG LYS A 40 -26.266 6.870 -9.457 1.00 0.00 C ATOM 577 CD LYS A 40 -25.603 7.516 -8.252 1.00 0.00 C ATOM 578 CE LYS A 40 -24.468 8.439 -8.670 1.00 0.00 C ATOM 579 NZ LYS A 40 -23.282 8.297 -7.781 1.00 0.00 N ATOM 0 H LYS A 40 -29.516 8.429 -10.648 1.00 0.00 H new ATOM 0 HA LYS A 40 -27.723 6.536 -11.549 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -27.921 8.223 -9.413 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -28.222 6.695 -8.611 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -26.096 5.794 -9.434 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -25.807 7.246 -10.371 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -26.344 8.081 -7.687 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -25.218 6.742 -7.588 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -24.180 8.218 -9.698 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -24.814 9.472 -8.651 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -22.531 8.942 -8.099 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -23.550 8.532 -6.804 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -22.935 7.317 -7.818 1.00 0.00 H new ATOM 593 N THR A 41 -30.171 5.215 -9.767 1.00 0.00 N ATOM 594 CA THR A 41 -30.836 3.960 -9.441 1.00 0.00 C ATOM 595 C THR A 41 -31.550 3.384 -10.658 1.00 0.00 C ATOM 596 O THR A 41 -31.576 2.170 -10.857 1.00 0.00 O ATOM 597 CB THR A 41 -31.855 4.145 -8.301 1.00 0.00 C ATOM 598 OG1 THR A 41 -31.192 4.615 -7.122 1.00 0.00 O ATOM 599 CG2 THR A 41 -32.572 2.837 -7.999 1.00 0.00 C ATOM 0 H THR A 41 -30.640 6.047 -9.408 1.00 0.00 H new ATOM 0 HA THR A 41 -30.061 3.266 -9.116 1.00 0.00 H new ATOM 0 HB THR A 41 -32.593 4.881 -8.619 1.00 0.00 H new ATOM 0 HG1 THR A 41 -31.847 4.732 -6.403 1.00 0.00 H new ATOM 0 HG21 THR A 41 -33.287 2.992 -7.191 1.00 0.00 H new ATOM 0 HG22 THR A 41 -33.100 2.497 -8.890 1.00 0.00 H new ATOM 0 HG23 THR A 41 -31.844 2.083 -7.700 1.00 0.00 H new ATOM 607 N TRP A 42 -32.129 4.262 -11.469 1.00 0.00 N ATOM 608 CA TRP A 42 -32.844 3.840 -12.668 1.00 0.00 C ATOM 609 C TRP A 42 -31.929 3.050 -13.598 1.00 0.00 C ATOM 610 O TRP A 42 -32.369 2.123 -14.278 1.00 0.00 O ATOM 611 CB TRP A 42 -33.412 5.055 -13.403 1.00 0.00 C ATOM 612 CG TRP A 42 -34.141 4.700 -14.663 1.00 0.00 C ATOM 613 CD1 TRP A 42 -35.428 4.255 -14.768 1.00 0.00 C ATOM 614 CD2 TRP A 42 -33.625 4.758 -15.997 1.00 0.00 C ATOM 615 NE1 TRP A 42 -35.743 4.033 -16.087 1.00 0.00 N ATOM 616 CE2 TRP A 42 -34.655 4.335 -16.861 1.00 0.00 C ATOM 617 CE3 TRP A 42 -32.395 5.128 -16.547 1.00 0.00 C ATOM 618 CZ2 TRP A 42 -34.488 4.271 -18.242 1.00 0.00 C ATOM 619 CZ3 TRP A 42 -32.231 5.065 -17.917 1.00 0.00 C ATOM 620 CH2 TRP A 42 -33.273 4.640 -18.753 1.00 0.00 C ATOM 0 H TRP A 42 -32.117 5.271 -11.318 1.00 0.00 H new ATOM 0 HA TRP A 42 -33.666 3.193 -12.361 1.00 0.00 H new ATOM 0 HB2 TRP A 42 -34.090 5.589 -12.737 1.00 0.00 H new ATOM 0 HB3 TRP A 42 -32.598 5.739 -13.643 1.00 0.00 H new ATOM 0 HD1 TRP A 42 -36.100 4.100 -13.936 1.00 0.00 H new ATOM 0 HE1 TRP A 42 -36.642 3.698 -16.433 1.00 0.00 H new ATOM 0 HE3 TRP A 42 -31.586 5.458 -15.912 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 -35.289 3.942 -18.887 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 -31.284 5.348 -18.352 1.00 0.00 H new ATOM 0 HH2 TRP A 42 -33.114 4.603 -19.821 1.00 0.00 H new ATOM 631 N LEU A 43 -30.654 3.423 -13.622 1.00 0.00 N ATOM 632 CA LEU A 43 -29.676 2.748 -14.468 1.00 0.00 C ATOM 633 C LEU A 43 -29.263 1.410 -13.864 1.00 0.00 C ATOM 634 O LEU A 43 -29.136 0.412 -14.572 1.00 0.00 O ATOM 635 CB LEU A 43 -28.444 3.634 -14.664 1.00 0.00 C ATOM 636 CG LEU A 43 -28.707 5.037 -15.214 1.00 0.00 C ATOM 637 CD1 LEU A 43 -27.789 6.051 -14.550 1.00 0.00 C ATOM 638 CD2 LEU A 43 -28.526 5.060 -16.725 1.00 0.00 C ATOM 0 H LEU A 43 -30.274 4.189 -13.066 1.00 0.00 H new ATOM 0 HA LEU A 43 -30.139 2.560 -15.437 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -27.935 3.731 -13.705 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -27.758 3.123 -15.339 1.00 0.00 H new ATOM 0 HG LEU A 43 -29.738 5.308 -14.987 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -27.990 7.043 -14.954 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -27.967 6.054 -13.475 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -26.750 5.784 -14.745 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -28.717 6.066 -17.099 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -27.506 4.768 -16.974 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -29.225 4.363 -17.186 1.00 0.00 H new ATOM 650 N GLN A 44 -29.056 1.399 -12.551 1.00 0.00 N ATOM 651 CA GLN A 44 -28.659 0.182 -11.851 1.00 0.00 C ATOM 652 C GLN A 44 -29.770 -0.861 -11.900 1.00 0.00 C ATOM 653 O GLN A 44 -29.519 -2.038 -12.156 1.00 0.00 O ATOM 654 CB GLN A 44 -28.302 0.498 -10.398 1.00 0.00 C ATOM 655 CG GLN A 44 -27.070 1.377 -10.251 1.00 0.00 C ATOM 656 CD GLN A 44 -26.022 0.765 -9.343 1.00 0.00 C ATOM 657 OE1 GLN A 44 -25.899 -0.457 -9.253 1.00 0.00 O ATOM 658 NE2 GLN A 44 -25.258 1.613 -8.664 1.00 0.00 N ATOM 0 H GLN A 44 -29.156 2.218 -11.951 1.00 0.00 H new ATOM 0 HA GLN A 44 -27.781 -0.226 -12.352 1.00 0.00 H new ATOM 0 HB2 GLN A 44 -29.150 0.993 -9.924 1.00 0.00 H new ATOM 0 HB3 GLN A 44 -28.137 -0.436 -9.862 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -26.635 1.553 -11.235 1.00 0.00 H new ATOM 0 HG3 GLN A 44 -27.366 2.348 -9.855 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -25.394 2.618 -8.769 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -24.535 1.259 -8.038 1.00 0.00 H new ATOM 667 N SER A 45 -30.999 -0.421 -11.651 1.00 0.00 N ATOM 668 CA SER A 45 -32.149 -1.317 -11.662 1.00 0.00 C ATOM 669 C SER A 45 -32.207 -2.110 -12.964 1.00 0.00 C ATOM 670 O SER A 45 -32.326 -3.336 -12.954 1.00 0.00 O ATOM 671 CB SER A 45 -33.444 -0.523 -11.477 1.00 0.00 C ATOM 672 OG SER A 45 -34.556 -1.233 -11.994 1.00 0.00 O ATOM 0 H SER A 45 -31.224 0.551 -11.439 1.00 0.00 H new ATOM 0 HA SER A 45 -32.040 -2.018 -10.834 1.00 0.00 H new ATOM 0 HB2 SER A 45 -33.600 -0.318 -10.418 1.00 0.00 H new ATOM 0 HB3 SER A 45 -33.358 0.441 -11.979 1.00 0.00 H new ATOM 0 HG SER A 45 -35.371 -0.705 -11.862 1.00 0.00 H new ATOM 678 N LYS A 46 -32.123 -1.402 -14.085 1.00 0.00 N ATOM 679 CA LYS A 46 -32.164 -2.037 -15.397 1.00 0.00 C ATOM 680 C LYS A 46 -31.035 -3.052 -15.546 1.00 0.00 C ATOM 681 O LYS A 46 -31.149 -4.016 -16.302 1.00 0.00 O ATOM 682 CB LYS A 46 -32.064 -0.982 -16.500 1.00 0.00 C ATOM 683 CG LYS A 46 -33.239 -0.019 -16.529 1.00 0.00 C ATOM 684 CD LYS A 46 -34.545 -0.742 -16.813 1.00 0.00 C ATOM 685 CE LYS A 46 -35.669 0.236 -17.117 1.00 0.00 C ATOM 686 NZ LYS A 46 -37.009 -0.398 -16.980 1.00 0.00 N ATOM 0 H LYS A 46 -32.026 -0.387 -14.111 1.00 0.00 H new ATOM 0 HA LYS A 46 -33.115 -2.562 -15.489 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -31.143 -0.414 -16.366 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -31.992 -1.483 -17.465 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -33.309 0.499 -15.573 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -33.069 0.741 -17.292 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -34.411 -1.418 -17.657 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -34.817 -1.355 -15.954 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -35.600 1.089 -16.442 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -35.551 0.621 -18.130 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -37.748 0.302 -17.196 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -37.085 -1.197 -17.642 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -37.132 -0.743 -16.007 1.00 0.00 H new ATOM 700 N GLY A 47 -29.945 -2.829 -14.818 1.00 0.00 N ATOM 701 CA GLY A 47 -28.811 -3.733 -14.883 1.00 0.00 C ATOM 702 C GLY A 47 -27.700 -3.207 -15.769 1.00 0.00 C ATOM 703 O GLY A 47 -27.130 -3.949 -16.569 1.00 0.00 O ATOM 0 H GLY A 47 -29.827 -2.038 -14.184 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -28.423 -3.897 -13.878 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -29.143 -4.701 -15.258 1.00 0.00 H new ATOM 707 N PHE A 48 -27.391 -1.922 -15.628 1.00 0.00 N ATOM 708 CA PHE A 48 -26.342 -1.296 -16.425 1.00 0.00 C ATOM 709 C PHE A 48 -25.034 -1.226 -15.642 1.00 0.00 C ATOM 710 O PHE A 48 -25.036 -1.076 -14.421 1.00 0.00 O ATOM 711 CB PHE A 48 -26.768 0.109 -16.854 1.00 0.00 C ATOM 712 CG PHE A 48 -27.706 0.119 -18.028 1.00 0.00 C ATOM 713 CD1 PHE A 48 -27.230 -0.083 -19.313 1.00 0.00 C ATOM 714 CD2 PHE A 48 -29.063 0.331 -17.846 1.00 0.00 C ATOM 715 CE1 PHE A 48 -28.089 -0.075 -20.396 1.00 0.00 C ATOM 716 CE2 PHE A 48 -29.927 0.340 -18.924 1.00 0.00 C ATOM 717 CZ PHE A 48 -29.440 0.138 -20.201 1.00 0.00 C ATOM 0 H PHE A 48 -27.852 -1.294 -14.970 1.00 0.00 H new ATOM 0 HA PHE A 48 -26.182 -1.907 -17.314 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -27.248 0.608 -16.012 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -25.880 0.689 -17.104 1.00 0.00 H new ATOM 0 HD1 PHE A 48 -26.175 -0.249 -19.471 1.00 0.00 H new ATOM 0 HD2 PHE A 48 -29.450 0.491 -16.850 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -27.705 -0.235 -21.393 1.00 0.00 H new ATOM 0 HE2 PHE A 48 -30.983 0.505 -18.768 1.00 0.00 H new ATOM 0 HZ PHE A 48 -30.114 0.147 -21.045 1.00 0.00 H new ATOM 727 N ASN A 49 -23.918 -1.336 -16.356 1.00 0.00 N ATOM 728 CA ASN A 49 -22.602 -1.287 -15.729 1.00 0.00 C ATOM 729 C ASN A 49 -22.456 -0.035 -14.869 1.00 0.00 C ATOM 730 O ASN A 49 -23.125 0.976 -15.083 1.00 0.00 O ATOM 731 CB ASN A 49 -21.505 -1.319 -16.795 1.00 0.00 C ATOM 732 CG ASN A 49 -21.443 -0.034 -17.599 1.00 0.00 C ATOM 733 OD1 ASN A 49 -22.356 0.790 -17.545 1.00 0.00 O ATOM 734 ND2 ASN A 49 -20.362 0.142 -18.350 1.00 0.00 N ATOM 0 H ASN A 49 -23.899 -1.460 -17.368 1.00 0.00 H new ATOM 0 HA ASN A 49 -22.500 -2.161 -15.086 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -20.541 -1.492 -16.316 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -21.681 -2.158 -17.469 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -20.264 0.987 -18.913 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -19.630 -0.568 -18.364 1.00 0.00 H new ATOM 741 N PRO A 50 -21.559 -0.102 -13.874 1.00 0.00 N ATOM 742 CA PRO A 50 -21.302 1.017 -12.963 1.00 0.00 C ATOM 743 C PRO A 50 -20.594 2.177 -13.655 1.00 0.00 C ATOM 744 O PRO A 50 -20.747 3.334 -13.263 1.00 0.00 O ATOM 745 CB PRO A 50 -20.400 0.402 -11.891 1.00 0.00 C ATOM 746 CG PRO A 50 -19.730 -0.742 -12.570 1.00 0.00 C ATOM 747 CD PRO A 50 -20.727 -1.276 -13.562 1.00 0.00 C ATOM 0 HA PRO A 50 -22.225 1.442 -12.569 1.00 0.00 H new ATOM 0 HB2 PRO A 50 -19.672 1.125 -11.523 1.00 0.00 H new ATOM 0 HB3 PRO A 50 -20.979 0.067 -11.031 1.00 0.00 H new ATOM 0 HG2 PRO A 50 -18.817 -0.419 -13.070 1.00 0.00 H new ATOM 0 HG3 PRO A 50 -19.445 -1.510 -11.851 1.00 0.00 H new ATOM 0 HD2 PRO A 50 -20.237 -1.669 -14.453 1.00 0.00 H new ATOM 0 HD3 PRO A 50 -21.319 -2.088 -13.139 1.00 0.00 H new ATOM 755 N VAL A 51 -19.818 1.860 -14.687 1.00 0.00 N ATOM 756 CA VAL A 51 -19.087 2.876 -15.434 1.00 0.00 C ATOM 757 C VAL A 51 -20.039 3.884 -16.066 1.00 0.00 C ATOM 758 O VAL A 51 -19.656 5.018 -16.359 1.00 0.00 O ATOM 759 CB VAL A 51 -18.219 2.244 -16.538 1.00 0.00 C ATOM 760 CG1 VAL A 51 -17.489 3.321 -17.327 1.00 0.00 C ATOM 761 CG2 VAL A 51 -17.234 1.251 -15.939 1.00 0.00 C ATOM 0 H VAL A 51 -19.680 0.907 -15.024 1.00 0.00 H new ATOM 0 HA VAL A 51 -18.440 3.389 -14.722 1.00 0.00 H new ATOM 0 HB VAL A 51 -18.872 1.705 -17.224 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -16.881 2.855 -18.102 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -18.216 3.989 -17.789 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -16.847 3.891 -16.656 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -16.629 0.814 -16.734 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -16.585 1.765 -15.230 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -17.781 0.461 -15.424 1.00 0.00 H new ATOM 771 N THR A 52 -21.284 3.466 -16.274 1.00 0.00 N ATOM 772 CA THR A 52 -22.292 4.332 -16.872 1.00 0.00 C ATOM 773 C THR A 52 -23.083 5.075 -15.802 1.00 0.00 C ATOM 774 O THR A 52 -23.320 6.278 -15.915 1.00 0.00 O ATOM 775 CB THR A 52 -23.269 3.531 -17.754 1.00 0.00 C ATOM 776 OG1 THR A 52 -22.574 2.976 -18.876 1.00 0.00 O ATOM 777 CG2 THR A 52 -24.406 4.416 -18.241 1.00 0.00 C ATOM 0 H THR A 52 -21.618 2.532 -16.037 1.00 0.00 H new ATOM 0 HA THR A 52 -21.761 5.053 -17.493 1.00 0.00 H new ATOM 0 HB THR A 52 -23.689 2.724 -17.154 1.00 0.00 H new ATOM 0 HG1 THR A 52 -22.168 2.121 -18.620 1.00 0.00 H new ATOM 0 HG21 THR A 52 -25.083 3.829 -18.862 1.00 0.00 H new ATOM 0 HG22 THR A 52 -24.951 4.813 -17.384 1.00 0.00 H new ATOM 0 HG23 THR A 52 -24.000 5.241 -18.826 1.00 0.00 H new ATOM 785 N VAL A 53 -23.488 4.352 -14.763 1.00 0.00 N ATOM 786 CA VAL A 53 -24.251 4.945 -13.671 1.00 0.00 C ATOM 787 C VAL A 53 -23.443 6.023 -12.958 1.00 0.00 C ATOM 788 O VAL A 53 -24.002 6.885 -12.281 1.00 0.00 O ATOM 789 CB VAL A 53 -24.683 3.879 -12.646 1.00 0.00 C ATOM 790 CG1 VAL A 53 -25.597 4.489 -11.594 1.00 0.00 C ATOM 791 CG2 VAL A 53 -25.364 2.713 -13.345 1.00 0.00 C ATOM 0 H VAL A 53 -23.301 3.355 -14.654 1.00 0.00 H new ATOM 0 HA VAL A 53 -25.140 5.395 -14.113 1.00 0.00 H new ATOM 0 HB VAL A 53 -23.793 3.501 -12.144 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -25.892 3.721 -10.879 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -25.069 5.287 -11.072 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -26.486 4.896 -12.076 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -25.662 1.970 -12.606 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -26.246 3.072 -13.875 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -24.672 2.261 -14.056 1.00 0.00 H new ATOM 801 N ASN A 54 -22.125 5.968 -13.115 1.00 0.00 N ATOM 802 CA ASN A 54 -21.239 6.941 -12.486 1.00 0.00 C ATOM 803 C ASN A 54 -21.163 8.222 -13.312 1.00 0.00 C ATOM 804 O ASN A 54 -21.183 9.326 -12.768 1.00 0.00 O ATOM 805 CB ASN A 54 -19.839 6.349 -12.312 1.00 0.00 C ATOM 806 CG ASN A 54 -19.423 6.265 -10.856 1.00 0.00 C ATOM 807 OD1 ASN A 54 -19.077 7.272 -10.239 1.00 0.00 O ATOM 808 ND2 ASN A 54 -19.456 5.060 -10.301 1.00 0.00 N ATOM 0 H ASN A 54 -21.647 5.260 -13.672 1.00 0.00 H new ATOM 0 HA ASN A 54 -21.647 7.186 -11.505 1.00 0.00 H new ATOM 0 HB2 ASN A 54 -19.812 5.352 -12.753 1.00 0.00 H new ATOM 0 HB3 ASN A 54 -19.119 6.959 -12.858 1.00 0.00 H new ATOM 0 HD21 ASN A 54 -19.188 4.941 -9.324 1.00 0.00 H new ATOM 0 HD22 ASN A 54 -19.750 4.253 -10.851 1.00 0.00 H new ATOM 815 N SER A 55 -21.076 8.066 -14.629 1.00 0.00 N ATOM 816 CA SER A 55 -20.994 9.209 -15.531 1.00 0.00 C ATOM 817 C SER A 55 -22.370 9.832 -15.745 1.00 0.00 C ATOM 818 O SER A 55 -22.489 11.032 -15.994 1.00 0.00 O ATOM 819 CB SER A 55 -20.399 8.784 -16.875 1.00 0.00 C ATOM 820 OG SER A 55 -19.392 9.688 -17.296 1.00 0.00 O ATOM 0 H SER A 55 -21.060 7.159 -15.095 1.00 0.00 H new ATOM 0 HA SER A 55 -20.344 9.955 -15.074 1.00 0.00 H new ATOM 0 HB2 SER A 55 -19.980 7.782 -16.790 1.00 0.00 H new ATOM 0 HB3 SER A 55 -21.187 8.737 -17.627 1.00 0.00 H new ATOM 0 HG SER A 55 -19.027 9.393 -18.156 1.00 0.00 H new ATOM 826 N LEU A 56 -23.407 9.007 -15.647 1.00 0.00 N ATOM 827 CA LEU A 56 -24.776 9.476 -15.830 1.00 0.00 C ATOM 828 C LEU A 56 -25.538 9.461 -14.508 1.00 0.00 C ATOM 829 O LEU A 56 -26.767 9.406 -14.488 1.00 0.00 O ATOM 830 CB LEU A 56 -25.501 8.605 -16.858 1.00 0.00 C ATOM 831 CG LEU A 56 -24.771 8.385 -18.184 1.00 0.00 C ATOM 832 CD1 LEU A 56 -25.521 7.381 -19.045 1.00 0.00 C ATOM 833 CD2 LEU A 56 -24.601 9.704 -18.925 1.00 0.00 C ATOM 0 H LEU A 56 -23.326 8.011 -15.442 1.00 0.00 H new ATOM 0 HA LEU A 56 -24.737 10.502 -16.195 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -25.696 7.632 -16.407 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -26.470 9.058 -17.070 1.00 0.00 H new ATOM 0 HG LEU A 56 -23.781 7.982 -17.970 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -24.987 7.237 -19.984 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -25.591 6.430 -18.518 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -26.524 7.756 -19.251 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -24.080 9.528 -19.866 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -25.581 10.136 -19.128 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -24.021 10.394 -18.312 1.00 0.00 H new ATOM 845 N GLY A 57 -24.798 9.513 -13.404 1.00 0.00 N ATOM 846 CA GLY A 57 -25.421 9.507 -12.093 1.00 0.00 C ATOM 847 C GLY A 57 -25.455 10.884 -11.461 1.00 0.00 C ATOM 848 O GLY A 57 -25.844 11.034 -10.303 1.00 0.00 O ATOM 0 H GLY A 57 -23.779 9.559 -13.394 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -26.438 9.125 -12.179 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -24.878 8.824 -11.439 1.00 0.00 H new ATOM 852 N VAL A 58 -25.044 11.894 -12.223 1.00 0.00 N ATOM 853 CA VAL A 58 -25.029 13.266 -11.730 1.00 0.00 C ATOM 854 C VAL A 58 -25.973 14.150 -12.537 1.00 0.00 C ATOM 855 O VAL A 58 -26.332 15.247 -12.108 1.00 0.00 O ATOM 856 CB VAL A 58 -23.611 13.865 -11.783 1.00 0.00 C ATOM 857 CG1 VAL A 58 -22.739 13.272 -10.687 1.00 0.00 C ATOM 858 CG2 VAL A 58 -22.988 13.638 -13.152 1.00 0.00 C ATOM 0 H VAL A 58 -24.717 11.787 -13.183 1.00 0.00 H new ATOM 0 HA VAL A 58 -25.364 13.234 -10.693 1.00 0.00 H new ATOM 0 HB VAL A 58 -23.683 14.940 -11.615 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -21.741 13.707 -10.740 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -23.179 13.491 -9.714 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -22.671 12.192 -10.820 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -21.986 14.068 -13.172 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -22.928 12.568 -13.352 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -23.603 14.115 -13.915 1.00 0.00 H new ATOM 868 N LEU A 59 -26.373 13.666 -13.707 1.00 0.00 N ATOM 869 CA LEU A 59 -27.277 14.412 -14.575 1.00 0.00 C ATOM 870 C LEU A 59 -28.732 14.064 -14.274 1.00 0.00 C ATOM 871 O LEU A 59 -29.074 12.899 -14.081 1.00 0.00 O ATOM 872 CB LEU A 59 -26.964 14.118 -16.044 1.00 0.00 C ATOM 873 CG LEU A 59 -25.645 14.679 -16.574 1.00 0.00 C ATOM 874 CD1 LEU A 59 -25.482 14.355 -18.051 1.00 0.00 C ATOM 875 CD2 LEU A 59 -25.574 16.182 -16.345 1.00 0.00 C ATOM 0 H LEU A 59 -26.086 12.760 -14.077 1.00 0.00 H new ATOM 0 HA LEU A 59 -27.130 15.475 -14.384 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -26.958 13.037 -16.184 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -27.776 14.514 -16.654 1.00 0.00 H new ATOM 0 HG LEU A 59 -24.827 14.209 -16.028 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -24.537 14.762 -18.411 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -25.487 13.274 -18.189 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -26.305 14.796 -18.613 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -24.628 16.564 -16.729 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -26.399 16.669 -16.865 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -25.644 16.391 -15.278 1.00 0.00 H new ATOM 887 N ASN A 60 -29.583 15.084 -14.238 1.00 0.00 N ATOM 888 CA ASN A 60 -31.001 14.886 -13.962 1.00 0.00 C ATOM 889 C ASN A 60 -31.706 14.257 -15.159 1.00 0.00 C ATOM 890 O ASN A 60 -31.178 14.251 -16.271 1.00 0.00 O ATOM 891 CB ASN A 60 -31.664 16.219 -13.608 1.00 0.00 C ATOM 892 CG ASN A 60 -31.437 17.277 -14.671 1.00 0.00 C ATOM 893 OD1 ASN A 60 -32.074 17.261 -15.724 1.00 0.00 O ATOM 894 ND2 ASN A 60 -30.526 18.204 -14.398 1.00 0.00 N ATOM 0 H ASN A 60 -29.316 16.055 -14.396 1.00 0.00 H new ATOM 0 HA ASN A 60 -31.089 14.207 -13.114 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -32.735 16.065 -13.475 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -31.272 16.575 -12.655 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -30.331 18.942 -15.075 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -30.022 18.178 -13.512 1.00 0.00 H new ATOM 901 N GLY A 61 -32.903 13.728 -14.924 1.00 0.00 N ATOM 902 CA GLY A 61 -33.661 13.104 -15.993 1.00 0.00 C ATOM 903 C GLY A 61 -33.794 13.999 -17.209 1.00 0.00 C ATOM 904 O GLY A 61 -33.751 13.525 -18.344 1.00 0.00 O ATOM 0 H GLY A 61 -33.361 13.720 -14.013 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -33.175 12.172 -16.283 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -34.654 12.845 -15.626 1.00 0.00 H new ATOM 908 N ALA A 62 -33.957 15.296 -16.972 1.00 0.00 N ATOM 909 CA ALA A 62 -34.096 16.260 -18.057 1.00 0.00 C ATOM 910 C ALA A 62 -32.861 16.260 -18.952 1.00 0.00 C ATOM 911 O ALA A 62 -32.963 16.078 -20.164 1.00 0.00 O ATOM 912 CB ALA A 62 -34.345 17.652 -17.497 1.00 0.00 C ATOM 0 H ALA A 62 -33.996 15.704 -16.038 1.00 0.00 H new ATOM 0 HA ALA A 62 -34.952 15.967 -18.664 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -34.447 18.362 -18.318 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -35.260 17.648 -16.905 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -33.506 17.946 -16.866 1.00 0.00 H new ATOM 918 N GLN A 63 -31.697 16.467 -18.345 1.00 0.00 N ATOM 919 CA GLN A 63 -30.443 16.493 -19.089 1.00 0.00 C ATOM 920 C GLN A 63 -30.201 15.163 -19.796 1.00 0.00 C ATOM 921 O GLN A 63 -29.908 15.128 -20.992 1.00 0.00 O ATOM 922 CB GLN A 63 -29.275 16.805 -18.151 1.00 0.00 C ATOM 923 CG GLN A 63 -29.360 18.181 -17.511 1.00 0.00 C ATOM 924 CD GLN A 63 -28.377 19.166 -18.112 1.00 0.00 C ATOM 925 OE1 GLN A 63 -27.685 19.888 -17.393 1.00 0.00 O ATOM 926 NE2 GLN A 63 -28.309 19.201 -19.438 1.00 0.00 N ATOM 0 H GLN A 63 -31.596 16.619 -17.341 1.00 0.00 H new ATOM 0 HA GLN A 63 -30.514 17.277 -19.843 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -29.239 16.050 -17.366 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -28.342 16.730 -18.709 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -30.372 18.569 -17.625 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -29.171 18.092 -16.441 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -28.901 18.585 -19.995 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -27.665 19.844 -19.899 1.00 0.00 H new ATOM 935 N LEU A 64 -30.326 14.071 -19.049 1.00 0.00 N ATOM 936 CA LEU A 64 -30.122 12.738 -19.604 1.00 0.00 C ATOM 937 C LEU A 64 -31.041 12.497 -20.797 1.00 0.00 C ATOM 938 O LEU A 64 -30.644 11.882 -21.786 1.00 0.00 O ATOM 939 CB LEU A 64 -30.369 11.675 -18.533 1.00 0.00 C ATOM 940 CG LEU A 64 -30.271 10.220 -18.995 1.00 0.00 C ATOM 941 CD1 LEU A 64 -29.332 9.435 -18.092 1.00 0.00 C ATOM 942 CD2 LEU A 64 -31.650 9.576 -19.023 1.00 0.00 C ATOM 0 H LEU A 64 -30.568 14.083 -18.058 1.00 0.00 H new ATOM 0 HA LEU A 64 -29.089 12.668 -19.945 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -29.652 11.828 -17.726 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -31.362 11.836 -18.113 1.00 0.00 H new ATOM 0 HG LEU A 64 -29.865 10.206 -20.006 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -29.275 8.402 -18.436 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -28.339 9.883 -18.122 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -29.708 9.456 -17.069 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -31.562 8.541 -19.354 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -32.084 9.602 -18.023 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -32.293 10.124 -19.712 1.00 0.00 H new ATOM 954 N PHE A 65 -32.272 12.989 -20.697 1.00 0.00 N ATOM 955 CA PHE A 65 -33.248 12.828 -21.769 1.00 0.00 C ATOM 956 C PHE A 65 -32.807 13.577 -23.023 1.00 0.00 C ATOM 957 O PHE A 65 -33.227 13.251 -24.133 1.00 0.00 O ATOM 958 CB PHE A 65 -34.620 13.332 -21.317 1.00 0.00 C ATOM 959 CG PHE A 65 -35.434 12.293 -20.599 1.00 0.00 C ATOM 960 CD1 PHE A 65 -34.815 11.306 -19.849 1.00 0.00 C ATOM 961 CD2 PHE A 65 -36.817 12.304 -20.674 1.00 0.00 C ATOM 962 CE1 PHE A 65 -35.562 10.348 -19.189 1.00 0.00 C ATOM 963 CE2 PHE A 65 -37.569 11.349 -20.016 1.00 0.00 C ATOM 964 CZ PHE A 65 -36.940 10.370 -19.272 1.00 0.00 C ATOM 0 H PHE A 65 -32.617 13.502 -19.886 1.00 0.00 H new ATOM 0 HA PHE A 65 -33.318 11.767 -22.007 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -34.484 14.192 -20.662 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -35.176 13.679 -22.188 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -33.737 11.285 -19.779 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -37.314 13.068 -21.254 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -35.068 9.583 -18.609 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -38.647 11.368 -20.084 1.00 0.00 H new ATOM 0 HZ PHE A 65 -37.525 9.623 -18.756 1.00 0.00 H new ATOM 974 N SER A 66 -31.958 14.582 -22.837 1.00 0.00 N ATOM 975 CA SER A 66 -31.463 15.381 -23.952 1.00 0.00 C ATOM 976 C SER A 66 -30.408 14.613 -24.744 1.00 0.00 C ATOM 977 O SER A 66 -30.272 14.791 -25.955 1.00 0.00 O ATOM 978 CB SER A 66 -30.875 16.698 -23.443 1.00 0.00 C ATOM 979 OG SER A 66 -30.721 17.630 -24.499 1.00 0.00 O ATOM 0 H SER A 66 -31.598 14.863 -21.925 1.00 0.00 H new ATOM 0 HA SER A 66 -32.303 15.598 -24.612 1.00 0.00 H new ATOM 0 HB2 SER A 66 -31.525 17.118 -22.676 1.00 0.00 H new ATOM 0 HB3 SER A 66 -29.909 16.511 -22.975 1.00 0.00 H new ATOM 0 HG SER A 66 -30.345 18.464 -24.147 1.00 0.00 H new ATOM 985 N LEU A 67 -29.664 13.758 -24.051 1.00 0.00 N ATOM 986 CA LEU A 67 -28.620 12.962 -24.687 1.00 0.00 C ATOM 987 C LEU A 67 -29.226 11.854 -25.544 1.00 0.00 C ATOM 988 O LEU A 67 -30.185 11.198 -25.139 1.00 0.00 O ATOM 989 CB LEU A 67 -27.697 12.356 -23.629 1.00 0.00 C ATOM 990 CG LEU A 67 -27.091 13.338 -22.626 1.00 0.00 C ATOM 991 CD1 LEU A 67 -26.270 12.597 -21.582 1.00 0.00 C ATOM 992 CD2 LEU A 67 -26.237 14.374 -23.342 1.00 0.00 C ATOM 0 H LEU A 67 -29.764 13.598 -23.049 1.00 0.00 H new ATOM 0 HA LEU A 67 -28.039 13.620 -25.333 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -28.257 11.602 -23.076 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -26.883 11.839 -24.138 1.00 0.00 H new ATOM 0 HG LEU A 67 -27.904 13.856 -22.118 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -25.847 13.312 -20.877 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -26.910 11.895 -21.047 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -25.464 12.051 -22.073 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -25.814 15.064 -22.612 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -25.430 13.873 -23.878 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -26.854 14.928 -24.050 1.00 0.00 H new ATOM 1004 N ASN A 68 -28.659 11.651 -26.728 1.00 0.00 N ATOM 1005 CA ASN A 68 -29.142 10.622 -27.641 1.00 0.00 C ATOM 1006 C ASN A 68 -28.149 9.467 -27.733 1.00 0.00 C ATOM 1007 O ASN A 68 -27.190 9.395 -26.965 1.00 0.00 O ATOM 1008 CB ASN A 68 -29.382 11.215 -29.031 1.00 0.00 C ATOM 1009 CG ASN A 68 -28.088 11.505 -29.767 1.00 0.00 C ATOM 1010 OD1 ASN A 68 -27.698 10.767 -30.672 1.00 0.00 O ATOM 1011 ND2 ASN A 68 -27.416 12.583 -29.380 1.00 0.00 N ATOM 0 H ASN A 68 -27.864 12.186 -27.078 1.00 0.00 H new ATOM 0 HA ASN A 68 -30.084 10.238 -27.250 1.00 0.00 H new ATOM 0 HB2 ASN A 68 -29.984 10.523 -29.619 1.00 0.00 H new ATOM 0 HB3 ASN A 68 -29.957 12.136 -28.936 1.00 0.00 H new ATOM 0 HD21 ASN A 68 -26.538 12.828 -29.838 1.00 0.00 H new ATOM 0 HD22 ASN A 68 -27.778 13.166 -28.625 1.00 0.00 H new ATOM 1018 N LYS A 69 -28.386 8.564 -28.679 1.00 0.00 N ATOM 1019 CA LYS A 69 -27.513 7.413 -28.875 1.00 0.00 C ATOM 1020 C LYS A 69 -26.059 7.851 -29.015 1.00 0.00 C ATOM 1021 O LYS A 69 -25.143 7.131 -28.617 1.00 0.00 O ATOM 1022 CB LYS A 69 -27.942 6.627 -30.116 1.00 0.00 C ATOM 1023 CG LYS A 69 -27.480 5.180 -30.109 1.00 0.00 C ATOM 1024 CD LYS A 69 -27.718 4.513 -31.453 1.00 0.00 C ATOM 1025 CE LYS A 69 -27.595 3.000 -31.354 1.00 0.00 C ATOM 1026 NZ LYS A 69 -28.336 2.310 -32.447 1.00 0.00 N ATOM 0 H LYS A 69 -29.176 8.608 -29.322 1.00 0.00 H new ATOM 0 HA LYS A 69 -27.598 6.771 -27.999 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -29.029 6.652 -30.194 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -27.547 7.121 -31.003 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -26.419 5.137 -29.863 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -28.010 4.631 -29.330 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -28.710 4.775 -31.820 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -26.999 4.891 -32.180 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -26.543 2.718 -31.394 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -27.978 2.667 -30.389 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -28.227 1.281 -32.344 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -29.344 2.559 -32.394 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -27.954 2.608 -33.367 1.00 0.00 H new ATOM 1040 N ASP A 70 -25.854 9.035 -29.582 1.00 0.00 N ATOM 1041 CA ASP A 70 -24.511 9.569 -29.772 1.00 0.00 C ATOM 1042 C ASP A 70 -23.967 10.148 -28.469 1.00 0.00 C ATOM 1043 O ASP A 70 -22.936 9.703 -27.965 1.00 0.00 O ATOM 1044 CB ASP A 70 -24.516 10.645 -30.859 1.00 0.00 C ATOM 1045 CG ASP A 70 -23.506 10.365 -31.955 1.00 0.00 C ATOM 1046 OD1 ASP A 70 -22.383 9.930 -31.629 1.00 0.00 O ATOM 1047 OD2 ASP A 70 -23.840 10.583 -33.139 1.00 0.00 O ATOM 0 H ASP A 70 -26.601 9.643 -29.918 1.00 0.00 H new ATOM 0 HA ASP A 70 -23.862 8.751 -30.084 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -25.513 10.712 -31.296 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -24.300 11.614 -30.408 1.00 0.00 H new ATOM 1052 N GLU A 71 -24.667 11.142 -27.931 1.00 0.00 N ATOM 1053 CA GLU A 71 -24.252 11.782 -26.689 1.00 0.00 C ATOM 1054 C GLU A 71 -23.994 10.743 -25.601 1.00 0.00 C ATOM 1055 O GLU A 71 -22.979 10.796 -24.904 1.00 0.00 O ATOM 1056 CB GLU A 71 -25.318 12.774 -26.219 1.00 0.00 C ATOM 1057 CG GLU A 71 -25.645 13.847 -27.244 1.00 0.00 C ATOM 1058 CD GLU A 71 -24.988 15.176 -26.927 1.00 0.00 C ATOM 1059 OE1 GLU A 71 -25.455 15.861 -25.993 1.00 0.00 O ATOM 1060 OE2 GLU A 71 -24.007 15.531 -27.613 1.00 0.00 O ATOM 0 H GLU A 71 -25.523 11.521 -28.336 1.00 0.00 H new ATOM 0 HA GLU A 71 -23.324 12.321 -26.881 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -26.229 12.227 -25.975 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -24.977 13.252 -25.301 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -25.323 13.513 -28.230 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -26.726 13.982 -27.291 1.00 0.00 H new ATOM 1067 N LEU A 72 -24.918 9.799 -25.461 1.00 0.00 N ATOM 1068 CA LEU A 72 -24.792 8.747 -24.459 1.00 0.00 C ATOM 1069 C LEU A 72 -23.617 7.829 -24.778 1.00 0.00 C ATOM 1070 O LEU A 72 -22.970 7.297 -23.876 1.00 0.00 O ATOM 1071 CB LEU A 72 -26.085 7.933 -24.380 1.00 0.00 C ATOM 1072 CG LEU A 72 -27.165 8.476 -23.444 1.00 0.00 C ATOM 1073 CD1 LEU A 72 -28.548 8.242 -24.032 1.00 0.00 C ATOM 1074 CD2 LEU A 72 -27.051 7.833 -22.070 1.00 0.00 C ATOM 0 H LEU A 72 -25.763 9.741 -26.029 1.00 0.00 H new ATOM 0 HA LEU A 72 -24.608 9.219 -23.494 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -26.506 7.859 -25.383 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -25.834 6.920 -24.064 1.00 0.00 H new ATOM 0 HG LEU A 72 -27.017 9.550 -23.334 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -29.304 8.635 -23.352 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -28.625 8.750 -24.993 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -28.707 7.173 -24.173 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -27.827 8.231 -21.416 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -27.172 6.754 -22.162 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -26.071 8.053 -21.645 1.00 0.00 H new ATOM 1086 N ARG A 73 -23.347 7.648 -26.066 1.00 0.00 N ATOM 1087 CA ARG A 73 -22.249 6.795 -26.504 1.00 0.00 C ATOM 1088 C ARG A 73 -20.903 7.465 -26.247 1.00 0.00 C ATOM 1089 O ARG A 73 -19.881 6.795 -26.099 1.00 0.00 O ATOM 1090 CB ARG A 73 -22.392 6.467 -27.992 1.00 0.00 C ATOM 1091 CG ARG A 73 -21.186 5.749 -28.576 1.00 0.00 C ATOM 1092 CD ARG A 73 -21.603 4.695 -29.590 1.00 0.00 C ATOM 1093 NE ARG A 73 -20.549 3.711 -29.822 1.00 0.00 N ATOM 1094 CZ ARG A 73 -20.511 2.911 -30.881 1.00 0.00 C ATOM 1095 NH1 ARG A 73 -21.463 2.977 -31.801 1.00 0.00 N ATOM 1096 NH2 ARG A 73 -19.518 2.041 -31.022 1.00 0.00 N ATOM 0 H ARG A 73 -23.874 8.081 -26.825 1.00 0.00 H new ATOM 0 HA ARG A 73 -22.290 5.870 -25.929 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -23.277 5.848 -28.135 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -22.557 7.392 -28.545 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -20.526 6.473 -29.053 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -20.617 5.279 -27.774 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -22.501 4.188 -29.237 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -21.860 5.180 -30.532 1.00 0.00 H new ATOM 0 HE ARG A 73 -19.801 3.634 -29.133 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -22.228 3.644 -31.697 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -21.431 2.361 -32.613 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -18.783 1.987 -30.316 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -19.490 1.427 -31.836 1.00 0.00 H new ATOM 1110 N THR A 74 -20.910 8.794 -26.194 1.00 0.00 N ATOM 1111 CA THR A 74 -19.690 9.555 -25.957 1.00 0.00 C ATOM 1112 C THR A 74 -19.333 9.573 -24.475 1.00 0.00 C ATOM 1113 O THR A 74 -18.163 9.467 -24.107 1.00 0.00 O ATOM 1114 CB THR A 74 -19.827 11.005 -26.457 1.00 0.00 C ATOM 1115 OG1 THR A 74 -21.201 11.302 -26.730 1.00 0.00 O ATOM 1116 CG2 THR A 74 -18.997 11.225 -27.713 1.00 0.00 C ATOM 0 H THR A 74 -21.747 9.365 -26.312 1.00 0.00 H new ATOM 0 HA THR A 74 -18.895 9.059 -26.514 1.00 0.00 H new ATOM 0 HB THR A 74 -19.460 11.671 -25.676 1.00 0.00 H new ATOM 0 HG1 THR A 74 -21.686 11.414 -25.886 1.00 0.00 H new ATOM 0 HG21 THR A 74 -19.110 12.256 -28.048 1.00 0.00 H new ATOM 0 HG22 THR A 74 -17.948 11.027 -27.495 1.00 0.00 H new ATOM 0 HG23 THR A 74 -19.338 10.550 -28.498 1.00 0.00 H new ATOM 1124 N VAL A 75 -20.348 9.706 -23.627 1.00 0.00 N ATOM 1125 CA VAL A 75 -20.141 9.736 -22.185 1.00 0.00 C ATOM 1126 C VAL A 75 -19.798 8.350 -21.650 1.00 0.00 C ATOM 1127 O VAL A 75 -19.004 8.212 -20.718 1.00 0.00 O ATOM 1128 CB VAL A 75 -21.388 10.264 -21.449 1.00 0.00 C ATOM 1129 CG1 VAL A 75 -22.593 9.382 -21.741 1.00 0.00 C ATOM 1130 CG2 VAL A 75 -21.128 10.347 -19.953 1.00 0.00 C ATOM 0 H VAL A 75 -21.323 9.795 -23.915 1.00 0.00 H new ATOM 0 HA VAL A 75 -19.306 10.411 -22.000 1.00 0.00 H new ATOM 0 HB VAL A 75 -21.606 11.268 -21.813 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -23.464 9.770 -21.213 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -22.790 9.379 -22.813 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -22.389 8.365 -21.406 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -22.019 10.722 -19.449 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -20.885 9.356 -19.570 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -20.294 11.023 -19.766 1.00 0.00 H new ATOM 1140 N CYS A 76 -20.400 7.327 -22.246 1.00 0.00 N ATOM 1141 CA CYS A 76 -20.158 5.950 -21.829 1.00 0.00 C ATOM 1142 C CYS A 76 -20.257 4.998 -23.017 1.00 0.00 C ATOM 1143 O CYS A 76 -20.936 5.270 -24.007 1.00 0.00 O ATOM 1144 CB CYS A 76 -21.156 5.540 -20.746 1.00 0.00 C ATOM 1145 SG CYS A 76 -22.887 5.637 -21.262 1.00 0.00 S ATOM 0 H CYS A 76 -21.059 7.424 -23.019 1.00 0.00 H new ATOM 0 HA CYS A 76 -19.148 5.891 -21.422 1.00 0.00 H new ATOM 0 HB2 CYS A 76 -20.938 4.519 -20.434 1.00 0.00 H new ATOM 0 HB3 CYS A 76 -21.012 6.178 -19.874 1.00 0.00 H new ATOM 0 HG CYS A 76 -22.972 6.311 -22.370 1.00 0.00 H new ATOM 1151 N PRO A 77 -19.564 3.854 -22.918 1.00 0.00 N ATOM 1152 CA PRO A 77 -19.557 2.838 -23.975 1.00 0.00 C ATOM 1153 C PRO A 77 -20.900 2.127 -24.104 1.00 0.00 C ATOM 1154 O PRO A 77 -21.217 1.569 -25.154 1.00 0.00 O ATOM 1155 CB PRO A 77 -18.474 1.858 -23.517 1.00 0.00 C ATOM 1156 CG PRO A 77 -18.418 2.019 -22.037 1.00 0.00 C ATOM 1157 CD PRO A 77 -18.733 3.464 -21.766 1.00 0.00 C ATOM 0 HA PRO A 77 -19.370 3.272 -24.957 1.00 0.00 H new ATOM 0 HB2 PRO A 77 -18.724 0.834 -23.795 1.00 0.00 H new ATOM 0 HB3 PRO A 77 -17.513 2.087 -23.977 1.00 0.00 H new ATOM 0 HG2 PRO A 77 -19.137 1.364 -21.546 1.00 0.00 H new ATOM 0 HG3 PRO A 77 -17.433 1.756 -21.653 1.00 0.00 H new ATOM 0 HD2 PRO A 77 -19.268 3.589 -20.824 1.00 0.00 H new ATOM 0 HD3 PRO A 77 -17.828 4.067 -21.701 1.00 0.00 H new ATOM 1165 N GLU A 78 -21.683 2.152 -23.030 1.00 0.00 N ATOM 1166 CA GLU A 78 -22.992 1.508 -23.026 1.00 0.00 C ATOM 1167 C GLU A 78 -24.092 2.511 -23.360 1.00 0.00 C ATOM 1168 O GLU A 78 -25.254 2.317 -23.004 1.00 0.00 O ATOM 1169 CB GLU A 78 -23.266 0.870 -21.662 1.00 0.00 C ATOM 1170 CG GLU A 78 -22.228 -0.163 -21.255 1.00 0.00 C ATOM 1171 CD GLU A 78 -22.061 -1.261 -22.286 1.00 0.00 C ATOM 1172 OE1 GLU A 78 -22.918 -2.168 -22.332 1.00 0.00 O ATOM 1173 OE2 GLU A 78 -21.073 -1.213 -23.049 1.00 0.00 O ATOM 0 H GLU A 78 -21.435 2.610 -22.153 1.00 0.00 H new ATOM 0 HA GLU A 78 -22.989 0.730 -23.790 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -23.304 1.653 -20.905 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -24.248 0.398 -21.682 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -21.270 0.333 -21.099 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -22.516 -0.606 -20.302 1.00 0.00 H new ATOM 1180 N GLY A 79 -23.717 3.586 -24.048 1.00 0.00 N ATOM 1181 CA GLY A 79 -24.682 4.604 -24.418 1.00 0.00 C ATOM 1182 C GLY A 79 -25.779 4.063 -25.314 1.00 0.00 C ATOM 1183 O GLY A 79 -26.964 4.257 -25.042 1.00 0.00 O ATOM 0 H GLY A 79 -22.762 3.769 -24.355 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -25.127 5.023 -23.516 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -24.169 5.419 -24.928 1.00 0.00 H new ATOM 1187 N ALA A 80 -25.385 3.385 -26.387 1.00 0.00 N ATOM 1188 CA ALA A 80 -26.343 2.815 -27.326 1.00 0.00 C ATOM 1189 C ALA A 80 -27.379 1.962 -26.602 1.00 0.00 C ATOM 1190 O ALA A 80 -28.519 1.839 -27.050 1.00 0.00 O ATOM 1191 CB ALA A 80 -25.622 1.990 -28.381 1.00 0.00 C ATOM 0 H ALA A 80 -24.408 3.217 -26.628 1.00 0.00 H new ATOM 0 HA ALA A 80 -26.865 3.636 -27.817 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -26.350 1.571 -29.075 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -24.925 2.626 -28.927 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -25.073 1.181 -27.898 1.00 0.00 H new ATOM 1197 N ARG A 81 -26.976 1.374 -25.480 1.00 0.00 N ATOM 1198 CA ARG A 81 -27.869 0.530 -24.696 1.00 0.00 C ATOM 1199 C ARG A 81 -28.722 1.372 -23.751 1.00 0.00 C ATOM 1200 O ARG A 81 -29.900 1.086 -23.540 1.00 0.00 O ATOM 1201 CB ARG A 81 -27.065 -0.496 -23.896 1.00 0.00 C ATOM 1202 CG ARG A 81 -26.274 -1.461 -24.765 1.00 0.00 C ATOM 1203 CD ARG A 81 -27.086 -2.701 -25.101 1.00 0.00 C ATOM 1204 NE ARG A 81 -26.280 -3.719 -25.771 1.00 0.00 N ATOM 1205 CZ ARG A 81 -25.877 -3.623 -27.033 1.00 0.00 C ATOM 1206 NH1 ARG A 81 -26.203 -2.562 -27.758 1.00 0.00 N ATOM 1207 NH2 ARG A 81 -25.145 -4.590 -27.572 1.00 0.00 N ATOM 0 H ARG A 81 -26.037 1.467 -25.094 1.00 0.00 H new ATOM 0 HA ARG A 81 -28.530 0.005 -25.386 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -26.378 0.030 -23.233 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -27.746 -1.065 -23.263 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -25.974 -0.961 -25.686 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -25.360 -1.752 -24.248 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -27.508 -3.117 -24.186 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -27.924 -2.423 -25.741 1.00 0.00 H new ATOM 0 HE ARG A 81 -26.012 -4.548 -25.241 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -26.765 -1.816 -27.347 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -25.892 -2.491 -28.727 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -24.892 -5.407 -27.017 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -24.836 -4.516 -28.541 1.00 0.00 H new ATOM 1221 N VAL A 82 -28.117 2.412 -23.184 1.00 0.00 N ATOM 1222 CA VAL A 82 -28.820 3.296 -22.263 1.00 0.00 C ATOM 1223 C VAL A 82 -29.907 4.087 -22.981 1.00 0.00 C ATOM 1224 O VAL A 82 -31.039 4.179 -22.506 1.00 0.00 O ATOM 1225 CB VAL A 82 -27.851 4.280 -21.580 1.00 0.00 C ATOM 1226 CG1 VAL A 82 -28.606 5.203 -20.635 1.00 0.00 C ATOM 1227 CG2 VAL A 82 -26.759 3.523 -20.839 1.00 0.00 C ATOM 0 H VAL A 82 -27.142 2.662 -23.347 1.00 0.00 H new ATOM 0 HA VAL A 82 -29.278 2.662 -21.504 1.00 0.00 H new ATOM 0 HB VAL A 82 -27.380 4.892 -22.349 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -27.906 5.891 -20.162 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -29.348 5.770 -21.196 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -29.106 4.610 -19.869 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -26.083 4.233 -20.362 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -27.210 2.885 -20.079 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -26.200 2.908 -21.544 1.00 0.00 H new ATOM 1237 N TYR A 83 -29.557 4.655 -24.129 1.00 0.00 N ATOM 1238 CA TYR A 83 -30.502 5.441 -24.913 1.00 0.00 C ATOM 1239 C TYR A 83 -31.753 4.628 -25.232 1.00 0.00 C ATOM 1240 O TYR A 83 -32.875 5.121 -25.112 1.00 0.00 O ATOM 1241 CB TYR A 83 -29.848 5.919 -26.210 1.00 0.00 C ATOM 1242 CG TYR A 83 -30.791 6.668 -27.124 1.00 0.00 C ATOM 1243 CD1 TYR A 83 -31.219 7.953 -26.813 1.00 0.00 C ATOM 1244 CD2 TYR A 83 -31.254 6.091 -28.301 1.00 0.00 C ATOM 1245 CE1 TYR A 83 -32.081 8.640 -27.645 1.00 0.00 C ATOM 1246 CE2 TYR A 83 -32.116 6.771 -29.139 1.00 0.00 C ATOM 1247 CZ TYR A 83 -32.527 8.045 -28.807 1.00 0.00 C ATOM 1248 OH TYR A 83 -33.385 8.727 -29.639 1.00 0.00 O ATOM 0 H TYR A 83 -28.625 4.586 -24.538 1.00 0.00 H new ATOM 0 HA TYR A 83 -30.794 6.308 -24.320 1.00 0.00 H new ATOM 0 HB2 TYR A 83 -29.004 6.564 -25.965 1.00 0.00 H new ATOM 0 HB3 TYR A 83 -29.446 5.057 -26.743 1.00 0.00 H new ATOM 0 HD1 TYR A 83 -30.871 8.423 -25.905 1.00 0.00 H new ATOM 0 HD2 TYR A 83 -30.934 5.094 -28.565 1.00 0.00 H new ATOM 0 HE1 TYR A 83 -32.404 9.638 -27.387 1.00 0.00 H new ATOM 0 HE2 TYR A 83 -32.466 6.308 -30.049 1.00 0.00 H new ATOM 0 HH TYR A 83 -33.602 8.168 -30.414 1.00 0.00 H new ATOM 1258 N SER A 84 -31.552 3.378 -25.638 1.00 0.00 N ATOM 1259 CA SER A 84 -32.662 2.496 -25.977 1.00 0.00 C ATOM 1260 C SER A 84 -33.601 2.323 -24.787 1.00 0.00 C ATOM 1261 O SER A 84 -34.771 1.978 -24.952 1.00 0.00 O ATOM 1262 CB SER A 84 -32.137 1.132 -26.430 1.00 0.00 C ATOM 1263 OG SER A 84 -31.836 0.307 -25.318 1.00 0.00 O ATOM 0 H SER A 84 -30.630 2.954 -25.740 1.00 0.00 H new ATOM 0 HA SER A 84 -33.220 2.952 -26.795 1.00 0.00 H new ATOM 0 HB2 SER A 84 -32.881 0.643 -27.059 1.00 0.00 H new ATOM 0 HB3 SER A 84 -31.243 1.267 -27.039 1.00 0.00 H new ATOM 0 HG SER A 84 -31.197 0.766 -24.734 1.00 0.00 H new ATOM 1269 N GLN A 85 -33.079 2.565 -23.589 1.00 0.00 N ATOM 1270 CA GLN A 85 -33.870 2.435 -22.371 1.00 0.00 C ATOM 1271 C GLN A 85 -34.534 3.760 -22.009 1.00 0.00 C ATOM 1272 O GLN A 85 -35.537 3.787 -21.295 1.00 0.00 O ATOM 1273 CB GLN A 85 -32.990 1.960 -21.214 1.00 0.00 C ATOM 1274 CG GLN A 85 -32.826 0.450 -21.155 1.00 0.00 C ATOM 1275 CD GLN A 85 -34.153 -0.280 -21.105 1.00 0.00 C ATOM 1276 OE1 GLN A 85 -34.757 -0.423 -20.041 1.00 0.00 O ATOM 1277 NE2 GLN A 85 -34.616 -0.747 -22.258 1.00 0.00 N ATOM 0 H GLN A 85 -32.112 2.852 -23.436 1.00 0.00 H new ATOM 0 HA GLN A 85 -34.650 1.696 -22.552 1.00 0.00 H new ATOM 0 HB2 GLN A 85 -32.006 2.421 -21.304 1.00 0.00 H new ATOM 0 HB3 GLN A 85 -33.420 2.307 -20.275 1.00 0.00 H new ATOM 0 HG2 GLN A 85 -32.264 0.115 -22.027 1.00 0.00 H new ATOM 0 HG3 GLN A 85 -32.237 0.186 -20.276 1.00 0.00 H new ATOM 0 HE21 GLN A 85 -34.083 -0.606 -23.116 1.00 0.00 H new ATOM 0 HE22 GLN A 85 -35.505 -1.247 -22.286 1.00 0.00 H new ATOM 1286 N ILE A 86 -33.969 4.854 -22.507 1.00 0.00 N ATOM 1287 CA ILE A 86 -34.508 6.182 -22.237 1.00 0.00 C ATOM 1288 C ILE A 86 -35.577 6.559 -23.256 1.00 0.00 C ATOM 1289 O ILE A 86 -36.532 7.269 -22.938 1.00 0.00 O ATOM 1290 CB ILE A 86 -33.401 7.252 -22.251 1.00 0.00 C ATOM 1291 CG1 ILE A 86 -32.321 6.914 -21.221 1.00 0.00 C ATOM 1292 CG2 ILE A 86 -33.990 8.628 -21.978 1.00 0.00 C ATOM 1293 CD1 ILE A 86 -31.008 7.623 -21.467 1.00 0.00 C ATOM 0 H ILE A 86 -33.139 4.848 -23.099 1.00 0.00 H new ATOM 0 HA ILE A 86 -34.954 6.145 -21.243 1.00 0.00 H new ATOM 0 HB ILE A 86 -32.942 7.265 -23.239 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -32.684 7.174 -20.227 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -32.150 5.838 -21.226 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -33.195 9.373 -21.991 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -34.725 8.868 -22.746 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -34.473 8.630 -21.001 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -30.290 7.336 -20.699 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -30.622 7.344 -22.447 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -31.165 8.701 -21.433 1.00 0.00 H new ATOM 1305 N THR A 87 -35.412 6.078 -24.485 1.00 0.00 N ATOM 1306 CA THR A 87 -36.363 6.364 -25.552 1.00 0.00 C ATOM 1307 C THR A 87 -37.782 5.991 -25.138 1.00 0.00 C ATOM 1308 O THR A 87 -38.743 6.673 -25.494 1.00 0.00 O ATOM 1309 CB THR A 87 -36.002 5.608 -26.844 1.00 0.00 C ATOM 1310 OG1 THR A 87 -36.951 5.913 -27.872 1.00 0.00 O ATOM 1311 CG2 THR A 87 -35.975 4.106 -26.602 1.00 0.00 C ATOM 0 H THR A 87 -34.628 5.489 -24.766 1.00 0.00 H new ATOM 0 HA THR A 87 -36.312 7.436 -25.741 1.00 0.00 H new ATOM 0 HB THR A 87 -35.009 5.928 -27.160 1.00 0.00 H new ATOM 0 HG1 THR A 87 -36.713 5.429 -28.691 1.00 0.00 H new ATOM 0 HG21 THR A 87 -35.718 3.593 -27.529 1.00 0.00 H new ATOM 0 HG22 THR A 87 -35.231 3.874 -25.840 1.00 0.00 H new ATOM 0 HG23 THR A 87 -36.957 3.774 -26.264 1.00 0.00 H new ATOM 1319 N VAL A 88 -37.907 4.905 -24.382 1.00 0.00 N ATOM 1320 CA VAL A 88 -39.209 4.442 -23.918 1.00 0.00 C ATOM 1321 C VAL A 88 -39.786 5.387 -22.869 1.00 0.00 C ATOM 1322 O VAL A 88 -41.002 5.462 -22.690 1.00 0.00 O ATOM 1323 CB VAL A 88 -39.122 3.024 -23.322 1.00 0.00 C ATOM 1324 CG1 VAL A 88 -38.206 3.010 -22.108 1.00 0.00 C ATOM 1325 CG2 VAL A 88 -40.508 2.512 -22.961 1.00 0.00 C ATOM 0 H VAL A 88 -37.122 4.329 -24.078 1.00 0.00 H new ATOM 0 HA VAL A 88 -39.866 4.423 -24.788 1.00 0.00 H new ATOM 0 HB VAL A 88 -38.698 2.358 -24.074 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -38.157 2.000 -21.701 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -37.207 3.331 -22.402 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -38.597 3.689 -21.350 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -40.428 1.509 -22.541 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -40.962 3.177 -22.226 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -41.129 2.482 -23.856 1.00 0.00 H new ATOM 1335 N GLN A 89 -38.906 6.106 -22.180 1.00 0.00 N ATOM 1336 CA GLN A 89 -39.329 7.046 -21.149 1.00 0.00 C ATOM 1337 C GLN A 89 -39.830 8.346 -21.770 1.00 0.00 C ATOM 1338 O GLN A 89 -40.877 8.868 -21.384 1.00 0.00 O ATOM 1339 CB GLN A 89 -38.173 7.338 -20.190 1.00 0.00 C ATOM 1340 CG GLN A 89 -37.529 6.086 -19.616 1.00 0.00 C ATOM 1341 CD GLN A 89 -38.537 5.152 -18.975 1.00 0.00 C ATOM 1342 OE1 GLN A 89 -38.540 3.949 -19.238 1.00 0.00 O ATOM 1343 NE2 GLN A 89 -39.399 5.703 -18.129 1.00 0.00 N ATOM 0 H GLN A 89 -37.896 6.056 -22.317 1.00 0.00 H new ATOM 0 HA GLN A 89 -40.148 6.591 -20.592 1.00 0.00 H new ATOM 0 HB2 GLN A 89 -37.414 7.919 -20.714 1.00 0.00 H new ATOM 0 HB3 GLN A 89 -38.539 7.957 -19.371 1.00 0.00 H new ATOM 0 HG2 GLN A 89 -37.002 5.556 -20.410 1.00 0.00 H new ATOM 0 HG3 GLN A 89 -36.783 6.373 -18.875 1.00 0.00 H new ATOM 0 HE21 GLN A 89 -39.360 6.705 -17.941 1.00 0.00 H new ATOM 0 HE22 GLN A 89 -40.101 5.125 -17.667 1.00 0.00 H new ATOM 1352 N LYS A 90 -39.077 8.864 -22.734 1.00 0.00 N ATOM 1353 CA LYS A 90 -39.444 10.103 -23.410 1.00 0.00 C ATOM 1354 C LYS A 90 -40.726 9.923 -24.217 1.00 0.00 C ATOM 1355 O LYS A 90 -41.594 10.795 -24.224 1.00 0.00 O ATOM 1356 CB LYS A 90 -38.310 10.562 -24.329 1.00 0.00 C ATOM 1357 CG LYS A 90 -37.067 11.014 -23.583 1.00 0.00 C ATOM 1358 CD LYS A 90 -35.811 10.803 -24.412 1.00 0.00 C ATOM 1359 CE LYS A 90 -35.758 11.755 -25.596 1.00 0.00 C ATOM 1360 NZ LYS A 90 -36.514 11.229 -26.766 1.00 0.00 N ATOM 0 H LYS A 90 -38.208 8.445 -23.065 1.00 0.00 H new ATOM 0 HA LYS A 90 -39.618 10.865 -22.650 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -38.044 9.745 -25.000 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -38.668 11.382 -24.952 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -37.160 12.069 -23.324 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -36.983 10.462 -22.647 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -34.931 10.951 -23.786 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -35.779 9.774 -24.770 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -36.168 12.721 -25.303 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -34.719 11.923 -25.881 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -35.988 11.433 -27.640 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -36.636 10.201 -26.667 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -37.447 11.686 -26.810 1.00 0.00 H new