USER MOD reduce.3.24.130724 H: found=0, std=0, add=743, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 743 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 29 THR OG1 : rot 180:sc= 0.215 USER MOD Set 1.2: A 44 GLN : amide:sc= 0.23 X(o=0.45,f=0) USER MOD Single : A 25 SER OG : rot 3:sc= 0.756! USER MOD Single : A 26 ASN : amide:sc= -0.0195 X(o=-0.02,f=0) USER MOD Single : A 31 MET CE :methyl -132:sc=-0.00247 (180deg=-0.145) USER MOD Single : A 37 CYS SG : rot 71:sc= -1.85! USER MOD Single : A 41 MET CE :methyl 172:sc= -0.0493 (180deg=-0.168) USER MOD Single : A 42 GLN :FLIP amide:sc= -0.0447 F(o=-1.6!,f=-0.045) USER MOD Single : A 46 LYS NZ :NH3+ 143:sc= -0.475 (180deg=-1.88!) USER MOD Single : A 50 ASN :FLIP amide:sc= -1.1 F(o=-1.6,f=-1.1) USER MOD Single : A 57 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0367) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 THR OG1 : rot 180:sc= -0.0202 USER MOD Single : A 61 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 CYS SG : rot -79:sc= -5.19! USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 70 SER OG : rot -91:sc= -0.622! USER MOD Single : A 71 SER OG : rot 180:sc=-0.00307 USER MOD Single : A 74 THR OG1 : rot -83:sc= -0.589 USER MOD Single : A 78 LYS NZ :NH3+ 169:sc= 0.297 (180deg=-0.0431) USER MOD Single : A 80 LYS NZ :NH3+ -152:sc= 0.555 (180deg=0.134) USER MOD Single : A 81 SER OG : rot 180:sc= -0.002 USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 ASN :FLIP amide:sc= -0.927 F(o=-2.6!,f=-0.93) USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD Single : A 92 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 103 LYS NZ :NH3+ 142:sc= -0.219 (180deg=-1.26!) USER MOD Single : A 105 HIS : no HD1:sc=-0.00991 X(o=-0.0099,f=-0.11) USER MOD Single : A 106 CYS SG : rot 180:sc= -0.365 USER MOD Single : A 107 SER OG : rot -90:sc= 0.0438 USER MOD Single : A 115 LYS NZ :NH3+ 135:sc= -0.117 (180deg=-0.728) USER MOD Single : A 121 TYR OH : rot 180:sc= 0 USER MOD Single : A 122 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 124 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 374 N ASP A 24 9.073 -10.318 -18.007 1.00 0.00 N ATOM 375 CA ASP A 24 8.262 -11.392 -17.366 1.00 0.00 C ATOM 376 C ASP A 24 6.833 -11.341 -17.908 1.00 0.00 C ATOM 377 O ASP A 24 6.448 -10.408 -18.584 1.00 0.00 O ATOM 378 CB ASP A 24 8.238 -11.179 -15.850 1.00 0.00 C ATOM 379 CG ASP A 24 9.651 -10.875 -15.352 1.00 0.00 C ATOM 380 OD1 ASP A 24 10.511 -10.635 -16.182 1.00 0.00 O ATOM 381 OD2 ASP A 24 9.849 -10.886 -14.148 1.00 0.00 O ATOM 0 HA ASP A 24 8.704 -12.363 -17.590 1.00 0.00 H new ATOM 0 HB2 ASP A 24 7.568 -10.356 -15.599 1.00 0.00 H new ATOM 0 HB3 ASP A 24 7.850 -12.069 -15.354 1.00 0.00 H new ATOM 386 N SER A 25 6.044 -12.338 -17.617 1.00 0.00 N ATOM 387 CA SER A 25 4.640 -12.346 -18.115 1.00 0.00 C ATOM 388 C SER A 25 3.718 -11.770 -17.039 1.00 0.00 C ATOM 389 O SER A 25 2.521 -11.665 -17.223 1.00 0.00 O ATOM 390 CB SER A 25 4.221 -13.782 -18.433 1.00 0.00 C ATOM 391 OG SER A 25 2.805 -13.844 -18.540 1.00 0.00 O ATOM 0 H SER A 25 6.311 -13.147 -17.056 1.00 0.00 H new ATOM 0 HA SER A 25 4.569 -11.740 -19.018 1.00 0.00 H new ATOM 0 HB2 SER A 25 4.683 -14.110 -19.364 1.00 0.00 H new ATOM 0 HB3 SER A 25 4.568 -14.456 -17.650 1.00 0.00 H new ATOM 0 HG SER A 25 2.429 -12.945 -18.432 1.00 0.00 H new ATOM 397 N ASN A 26 4.267 -11.396 -15.916 1.00 0.00 N ATOM 398 CA ASN A 26 3.423 -10.828 -14.828 1.00 0.00 C ATOM 399 C ASN A 26 3.729 -9.337 -14.667 1.00 0.00 C ATOM 400 O ASN A 26 3.326 -8.711 -13.707 1.00 0.00 O ATOM 401 CB ASN A 26 3.727 -11.554 -13.515 1.00 0.00 C ATOM 402 CG ASN A 26 4.261 -12.956 -13.817 1.00 0.00 C ATOM 403 OD1 ASN A 26 5.398 -13.262 -13.522 1.00 0.00 O ATOM 404 ND2 ASN A 26 3.481 -13.826 -14.399 1.00 0.00 N ATOM 0 H ASN A 26 5.263 -11.459 -15.705 1.00 0.00 H new ATOM 0 HA ASN A 26 2.371 -10.957 -15.081 1.00 0.00 H new ATOM 0 HB2 ASN A 26 4.460 -10.991 -12.937 1.00 0.00 H new ATOM 0 HB3 ASN A 26 2.825 -11.620 -12.907 1.00 0.00 H new ATOM 0 HD21 ASN A 26 3.827 -14.763 -14.606 1.00 0.00 H new ATOM 0 HD22 ASN A 26 2.526 -13.569 -14.647 1.00 0.00 H new ATOM 411 N VAL A 27 4.439 -8.762 -15.600 1.00 0.00 N ATOM 412 CA VAL A 27 4.768 -7.312 -15.496 1.00 0.00 C ATOM 413 C VAL A 27 4.306 -6.591 -16.763 1.00 0.00 C ATOM 414 O VAL A 27 4.890 -6.734 -17.820 1.00 0.00 O ATOM 415 CB VAL A 27 6.280 -7.141 -15.333 1.00 0.00 C ATOM 416 CG1 VAL A 27 6.614 -5.656 -15.184 1.00 0.00 C ATOM 417 CG2 VAL A 27 6.743 -7.893 -14.083 1.00 0.00 C ATOM 0 H VAL A 27 4.805 -9.233 -16.428 1.00 0.00 H new ATOM 0 HA VAL A 27 4.260 -6.886 -14.631 1.00 0.00 H new ATOM 0 HB VAL A 27 6.788 -7.541 -16.211 1.00 0.00 H new ATOM 0 HG11 VAL A 27 7.691 -5.535 -15.068 1.00 0.00 H new ATOM 0 HG12 VAL A 27 6.282 -5.118 -16.072 1.00 0.00 H new ATOM 0 HG13 VAL A 27 6.107 -5.255 -14.306 1.00 0.00 H new ATOM 0 HG21 VAL A 27 7.820 -7.773 -13.964 1.00 0.00 H new ATOM 0 HG22 VAL A 27 6.234 -7.491 -13.207 1.00 0.00 H new ATOM 0 HG23 VAL A 27 6.505 -8.952 -14.186 1.00 0.00 H new ATOM 427 N GLY A 28 3.261 -5.813 -16.666 1.00 0.00 N ATOM 428 CA GLY A 28 2.761 -5.081 -17.864 1.00 0.00 C ATOM 429 C GLY A 28 2.940 -3.576 -17.655 1.00 0.00 C ATOM 430 O GLY A 28 2.906 -3.085 -16.543 1.00 0.00 O ATOM 0 H GLY A 28 2.732 -5.653 -15.808 1.00 0.00 H new ATOM 0 HA2 GLY A 28 3.304 -5.403 -18.753 1.00 0.00 H new ATOM 0 HA3 GLY A 28 1.709 -5.313 -18.032 1.00 0.00 H new ATOM 434 N THR A 29 3.133 -2.839 -18.714 1.00 0.00 N ATOM 435 CA THR A 29 3.315 -1.366 -18.575 1.00 0.00 C ATOM 436 C THR A 29 2.487 -0.646 -19.642 1.00 0.00 C ATOM 437 O THR A 29 2.275 -1.153 -20.726 1.00 0.00 O ATOM 438 CB THR A 29 4.794 -1.014 -18.756 1.00 0.00 C ATOM 439 OG1 THR A 29 5.561 -1.681 -17.764 1.00 0.00 O ATOM 440 CG2 THR A 29 4.982 0.497 -18.621 1.00 0.00 C ATOM 0 H THR A 29 3.173 -3.193 -19.670 1.00 0.00 H new ATOM 0 HA THR A 29 2.985 -1.052 -17.585 1.00 0.00 H new ATOM 0 HB THR A 29 5.125 -1.330 -19.745 1.00 0.00 H new ATOM 0 HG1 THR A 29 6.508 -1.458 -17.879 1.00 0.00 H new ATOM 0 HG21 THR A 29 6.035 0.746 -18.750 1.00 0.00 H new ATOM 0 HG22 THR A 29 4.393 1.007 -19.383 1.00 0.00 H new ATOM 0 HG23 THR A 29 4.652 0.818 -17.633 1.00 0.00 H new ATOM 448 N GLY A 30 2.014 0.534 -19.343 1.00 0.00 N ATOM 449 CA GLY A 30 1.199 1.287 -20.339 1.00 0.00 C ATOM 450 C GLY A 30 1.500 2.782 -20.222 1.00 0.00 C ATOM 451 O GLY A 30 1.035 3.450 -19.320 1.00 0.00 O ATOM 0 H GLY A 30 2.157 1.009 -18.452 1.00 0.00 H new ATOM 0 HA2 GLY A 30 1.424 0.938 -21.347 1.00 0.00 H new ATOM 0 HA3 GLY A 30 0.138 1.105 -20.168 1.00 0.00 H new ATOM 455 N MET A 31 2.274 3.314 -21.129 1.00 0.00 N ATOM 456 CA MET A 31 2.604 4.765 -21.070 1.00 0.00 C ATOM 457 C MET A 31 1.606 5.553 -21.921 1.00 0.00 C ATOM 458 O MET A 31 1.370 5.236 -23.070 1.00 0.00 O ATOM 459 CB MET A 31 4.019 4.990 -21.607 1.00 0.00 C ATOM 460 CG MET A 31 4.767 5.959 -20.688 1.00 0.00 C ATOM 461 SD MET A 31 6.080 6.782 -21.621 1.00 0.00 S ATOM 462 CE MET A 31 5.042 8.033 -22.417 1.00 0.00 C ATOM 0 H MET A 31 2.692 2.805 -21.908 1.00 0.00 H new ATOM 0 HA MET A 31 2.548 5.106 -20.036 1.00 0.00 H new ATOM 0 HB2 MET A 31 4.553 4.041 -21.664 1.00 0.00 H new ATOM 0 HB3 MET A 31 3.975 5.393 -22.619 1.00 0.00 H new ATOM 0 HG2 MET A 31 4.077 6.698 -20.282 1.00 0.00 H new ATOM 0 HG3 MET A 31 5.191 5.420 -19.841 1.00 0.00 H new ATOM 0 HE1 MET A 31 5.266 8.066 -23.483 1.00 0.00 H new ATOM 0 HE2 MET A 31 3.992 7.779 -22.274 1.00 0.00 H new ATOM 0 HE3 MET A 31 5.243 9.008 -21.973 1.00 0.00 H new ATOM 472 N VAL A 32 1.020 6.579 -21.369 1.00 0.00 N ATOM 473 CA VAL A 32 0.041 7.388 -22.147 1.00 0.00 C ATOM 474 C VAL A 32 0.058 8.831 -21.639 1.00 0.00 C ATOM 475 O VAL A 32 0.893 9.207 -20.840 1.00 0.00 O ATOM 476 CB VAL A 32 -1.362 6.802 -21.974 1.00 0.00 C ATOM 477 CG1 VAL A 32 -1.515 5.572 -22.869 1.00 0.00 C ATOM 478 CG2 VAL A 32 -1.569 6.396 -20.513 1.00 0.00 C ATOM 0 H VAL A 32 1.177 6.892 -20.411 1.00 0.00 H new ATOM 0 HA VAL A 32 0.312 7.369 -23.203 1.00 0.00 H new ATOM 0 HB VAL A 32 -2.104 7.550 -22.253 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -2.514 5.154 -22.746 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -1.367 5.859 -23.910 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -0.773 4.824 -22.590 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -2.568 5.979 -20.389 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -0.826 5.648 -20.234 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -1.460 7.272 -19.873 1.00 0.00 H new ATOM 488 N GLY A 33 -0.855 9.643 -22.095 1.00 0.00 N ATOM 489 CA GLY A 33 -0.886 11.060 -21.635 1.00 0.00 C ATOM 490 C GLY A 33 -1.536 11.935 -22.707 1.00 0.00 C ATOM 491 O GLY A 33 -2.029 11.448 -23.706 1.00 0.00 O ATOM 0 H GLY A 33 -1.580 9.387 -22.765 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -1.443 11.137 -20.701 1.00 0.00 H new ATOM 0 HA3 GLY A 33 0.126 11.409 -21.432 1.00 0.00 H new ATOM 495 N ALA A 34 -1.543 13.224 -22.508 1.00 0.00 N ATOM 496 CA ALA A 34 -2.163 14.134 -23.511 1.00 0.00 C ATOM 497 C ALA A 34 -1.075 14.993 -24.163 1.00 0.00 C ATOM 498 O ALA A 34 -0.713 16.036 -23.654 1.00 0.00 O ATOM 499 CB ALA A 34 -3.177 15.041 -22.811 1.00 0.00 C ATOM 0 H ALA A 34 -1.145 13.687 -21.691 1.00 0.00 H new ATOM 0 HA ALA A 34 -2.667 13.545 -24.277 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -3.633 15.709 -23.542 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -3.950 14.430 -22.345 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -2.671 15.631 -22.047 1.00 0.00 H new ATOM 505 N PRO A 35 -0.559 14.556 -25.280 1.00 0.00 N ATOM 506 CA PRO A 35 0.507 15.294 -26.018 1.00 0.00 C ATOM 507 C PRO A 35 0.147 16.767 -26.238 1.00 0.00 C ATOM 508 O PRO A 35 0.952 17.650 -26.020 1.00 0.00 O ATOM 509 CB PRO A 35 0.601 14.560 -27.357 1.00 0.00 C ATOM 510 CG PRO A 35 0.089 13.184 -27.091 1.00 0.00 C ATOM 511 CD PRO A 35 -0.936 13.309 -25.963 1.00 0.00 C ATOM 0 HA PRO A 35 1.446 15.308 -25.464 1.00 0.00 H new ATOM 0 HB2 PRO A 35 0.006 15.060 -28.122 1.00 0.00 H new ATOM 0 HB3 PRO A 35 1.629 14.534 -27.719 1.00 0.00 H new ATOM 0 HG2 PRO A 35 -0.369 12.761 -27.985 1.00 0.00 H new ATOM 0 HG3 PRO A 35 0.902 12.517 -26.804 1.00 0.00 H new ATOM 0 HD2 PRO A 35 -1.953 13.358 -26.351 1.00 0.00 H new ATOM 0 HD3 PRO A 35 -0.893 12.455 -25.288 1.00 0.00 H new ATOM 519 N ALA A 36 -1.056 17.037 -26.666 1.00 0.00 N ATOM 520 CA ALA A 36 -1.462 18.452 -26.898 1.00 0.00 C ATOM 521 C ALA A 36 -0.842 19.342 -25.818 1.00 0.00 C ATOM 522 O ALA A 36 -0.345 20.415 -26.096 1.00 0.00 O ATOM 523 CB ALA A 36 -2.988 18.561 -26.835 1.00 0.00 C ATOM 0 H ALA A 36 -1.774 16.340 -26.865 1.00 0.00 H new ATOM 0 HA ALA A 36 -1.115 18.775 -27.880 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -3.286 19.596 -27.005 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -3.430 17.926 -27.602 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -3.336 18.240 -25.853 1.00 0.00 H new ATOM 529 N CYS A 37 -0.866 18.905 -24.588 1.00 0.00 N ATOM 530 CA CYS A 37 -0.277 19.726 -23.492 1.00 0.00 C ATOM 531 C CYS A 37 -0.866 19.281 -22.152 1.00 0.00 C ATOM 532 O CYS A 37 -0.295 19.513 -21.105 1.00 0.00 O ATOM 533 CB CYS A 37 -0.605 21.201 -23.724 1.00 0.00 C ATOM 534 SG CYS A 37 0.813 22.022 -24.492 1.00 0.00 S ATOM 0 H CYS A 37 -1.268 18.015 -24.295 1.00 0.00 H new ATOM 0 HA CYS A 37 0.805 19.592 -23.480 1.00 0.00 H new ATOM 0 HB2 CYS A 37 -1.482 21.293 -24.364 1.00 0.00 H new ATOM 0 HB3 CYS A 37 -0.849 21.683 -22.778 1.00 0.00 H new ATOM 0 HG CYS A 37 0.942 21.609 -25.718 1.00 0.00 H new ATOM 540 N GLY A 38 -2.005 18.645 -22.177 1.00 0.00 N ATOM 541 CA GLY A 38 -2.633 18.188 -20.907 1.00 0.00 C ATOM 542 C GLY A 38 -1.547 17.763 -19.918 1.00 0.00 C ATOM 543 O GLY A 38 -1.459 18.279 -18.823 1.00 0.00 O ATOM 0 H GLY A 38 -2.528 18.422 -23.024 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -3.235 18.990 -20.479 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -3.307 17.354 -21.103 1.00 0.00 H new ATOM 547 N ASP A 39 -0.718 16.826 -20.298 1.00 0.00 N ATOM 548 CA ASP A 39 0.364 16.365 -19.379 1.00 0.00 C ATOM 549 C ASP A 39 0.736 14.917 -19.712 1.00 0.00 C ATOM 550 O ASP A 39 0.053 14.245 -20.459 1.00 0.00 O ATOM 551 CB ASP A 39 -0.131 16.441 -17.930 1.00 0.00 C ATOM 552 CG ASP A 39 0.558 15.364 -17.087 1.00 0.00 C ATOM 553 OD1 ASP A 39 1.754 15.481 -16.875 1.00 0.00 O ATOM 554 OD2 ASP A 39 -0.122 14.442 -16.669 1.00 0.00 O ATOM 0 H ASP A 39 -0.744 16.360 -21.205 1.00 0.00 H new ATOM 0 HA ASP A 39 1.239 17.003 -19.501 1.00 0.00 H new ATOM 0 HB2 ASP A 39 0.078 17.428 -17.516 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -1.212 16.304 -17.898 1.00 0.00 H new ATOM 559 N VAL A 40 1.810 14.431 -19.153 1.00 0.00 N ATOM 560 CA VAL A 40 2.222 13.025 -19.424 1.00 0.00 C ATOM 561 C VAL A 40 1.696 12.129 -18.301 1.00 0.00 C ATOM 562 O VAL A 40 1.600 12.542 -17.163 1.00 0.00 O ATOM 563 CB VAL A 40 3.749 12.940 -19.476 1.00 0.00 C ATOM 564 CG1 VAL A 40 4.336 13.412 -18.142 1.00 0.00 C ATOM 565 CG2 VAL A 40 4.167 11.490 -19.735 1.00 0.00 C ATOM 0 H VAL A 40 2.421 14.947 -18.520 1.00 0.00 H new ATOM 0 HA VAL A 40 1.813 12.697 -20.380 1.00 0.00 H new ATOM 0 HB VAL A 40 4.122 13.576 -20.279 1.00 0.00 H new ATOM 0 HG11 VAL A 40 5.424 13.351 -18.181 1.00 0.00 H new ATOM 0 HG12 VAL A 40 4.037 14.444 -17.958 1.00 0.00 H new ATOM 0 HG13 VAL A 40 3.966 12.778 -17.337 1.00 0.00 H new ATOM 0 HG21 VAL A 40 5.254 11.426 -19.773 1.00 0.00 H new ATOM 0 HG22 VAL A 40 3.794 10.855 -18.932 1.00 0.00 H new ATOM 0 HG23 VAL A 40 3.751 11.156 -20.685 1.00 0.00 H new ATOM 575 N MET A 41 1.349 10.909 -18.606 1.00 0.00 N ATOM 576 CA MET A 41 0.826 10.005 -17.544 1.00 0.00 C ATOM 577 C MET A 41 1.339 8.582 -17.769 1.00 0.00 C ATOM 578 O MET A 41 1.179 8.013 -18.830 1.00 0.00 O ATOM 579 CB MET A 41 -0.705 10.004 -17.586 1.00 0.00 C ATOM 580 CG MET A 41 -1.245 9.034 -16.532 1.00 0.00 C ATOM 581 SD MET A 41 -2.898 9.563 -16.019 1.00 0.00 S ATOM 582 CE MET A 41 -3.542 7.924 -15.600 1.00 0.00 C ATOM 0 H MET A 41 1.405 10.501 -19.539 1.00 0.00 H new ATOM 0 HA MET A 41 1.169 10.360 -16.572 1.00 0.00 H new ATOM 0 HB2 MET A 41 -1.085 11.008 -17.400 1.00 0.00 H new ATOM 0 HB3 MET A 41 -1.052 9.711 -18.577 1.00 0.00 H new ATOM 0 HG2 MET A 41 -1.284 8.023 -16.938 1.00 0.00 H new ATOM 0 HG3 MET A 41 -0.577 9.006 -15.671 1.00 0.00 H new ATOM 0 HE1 MET A 41 -4.516 8.027 -15.121 1.00 0.00 H new ATOM 0 HE2 MET A 41 -3.646 7.331 -16.508 1.00 0.00 H new ATOM 0 HE3 MET A 41 -2.853 7.426 -14.918 1.00 0.00 H new ATOM 592 N GLN A 42 1.947 8.001 -16.772 1.00 0.00 N ATOM 593 CA GLN A 42 2.463 6.612 -16.918 1.00 0.00 C ATOM 594 C GLN A 42 1.704 5.697 -15.955 1.00 0.00 C ATOM 595 O GLN A 42 1.408 6.071 -14.837 1.00 0.00 O ATOM 596 CB GLN A 42 3.955 6.578 -16.585 1.00 0.00 C ATOM 597 CG GLN A 42 4.424 5.124 -16.493 1.00 0.00 C ATOM 598 CD GLN A 42 5.950 5.083 -16.397 1.00 0.00 C ATOM 599 OE1 GLN A 42 6.635 6.173 -16.607 1.00 0.00 O flip ATOM 600 NE2 GLN A 42 6.526 4.047 -16.128 1.00 0.00 N flip ATOM 0 H GLN A 42 2.109 8.430 -15.861 1.00 0.00 H new ATOM 0 HA GLN A 42 2.319 6.273 -17.944 1.00 0.00 H new ATOM 0 HB2 GLN A 42 4.522 7.106 -17.352 1.00 0.00 H new ATOM 0 HB3 GLN A 42 4.140 7.091 -15.641 1.00 0.00 H new ATOM 0 HG2 GLN A 42 3.981 4.643 -15.621 1.00 0.00 H new ATOM 0 HG3 GLN A 42 4.089 4.567 -17.368 1.00 0.00 H new ATOM 0 HE21 GLN A 42 5.991 3.194 -15.964 1.00 0.00 H new ATOM 0 HE22 GLN A 42 7.544 4.031 -16.067 1.00 0.00 H new ATOM 609 N LEU A 43 1.382 4.506 -16.374 1.00 0.00 N ATOM 610 CA LEU A 43 0.640 3.583 -15.471 1.00 0.00 C ATOM 611 C LEU A 43 1.162 2.156 -15.646 1.00 0.00 C ATOM 612 O LEU A 43 1.126 1.598 -16.724 1.00 0.00 O ATOM 613 CB LEU A 43 -0.851 3.624 -15.814 1.00 0.00 C ATOM 614 CG LEU A 43 -1.661 3.106 -14.627 1.00 0.00 C ATOM 615 CD1 LEU A 43 -2.194 4.288 -13.816 1.00 0.00 C ATOM 616 CD2 LEU A 43 -2.835 2.269 -15.139 1.00 0.00 C ATOM 0 H LEU A 43 1.599 4.133 -17.298 1.00 0.00 H new ATOM 0 HA LEU A 43 0.787 3.896 -14.437 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -1.152 4.643 -16.056 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -1.049 3.015 -16.696 1.00 0.00 H new ATOM 0 HG LEU A 43 -1.023 2.490 -13.993 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -2.772 3.917 -12.969 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -1.358 4.885 -13.451 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -2.832 4.905 -14.449 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -3.414 1.899 -14.293 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -3.472 2.886 -15.773 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -2.456 1.426 -15.716 1.00 0.00 H new ATOM 628 N GLN A 44 1.644 1.558 -14.590 1.00 0.00 N ATOM 629 CA GLN A 44 2.164 0.166 -14.693 1.00 0.00 C ATOM 630 C GLN A 44 1.406 -0.729 -13.709 1.00 0.00 C ATOM 631 O GLN A 44 0.912 -0.274 -12.696 1.00 0.00 O ATOM 632 CB GLN A 44 3.655 0.149 -14.354 1.00 0.00 C ATOM 633 CG GLN A 44 4.199 -1.273 -14.510 1.00 0.00 C ATOM 634 CD GLN A 44 5.632 -1.334 -13.979 1.00 0.00 C ATOM 635 OE1 GLN A 44 5.857 -1.213 -12.790 1.00 0.00 O ATOM 636 NE2 GLN A 44 6.618 -1.518 -14.814 1.00 0.00 N ATOM 0 H GLN A 44 1.700 1.974 -13.660 1.00 0.00 H new ATOM 0 HA GLN A 44 2.022 -0.203 -15.709 1.00 0.00 H new ATOM 0 HB2 GLN A 44 4.196 0.830 -15.011 1.00 0.00 H new ATOM 0 HB3 GLN A 44 3.811 0.499 -13.334 1.00 0.00 H new ATOM 0 HG2 GLN A 44 3.568 -1.976 -13.966 1.00 0.00 H new ATOM 0 HG3 GLN A 44 4.176 -1.569 -15.559 1.00 0.00 H new ATOM 0 HE21 GLN A 44 6.430 -1.620 -15.811 1.00 0.00 H new ATOM 0 HE22 GLN A 44 7.577 -1.560 -14.469 1.00 0.00 H new ATOM 645 N ILE A 45 1.307 -1.998 -13.999 1.00 0.00 N ATOM 646 CA ILE A 45 0.578 -2.917 -13.079 1.00 0.00 C ATOM 647 C ILE A 45 1.508 -4.054 -12.649 1.00 0.00 C ATOM 648 O ILE A 45 2.428 -4.417 -13.355 1.00 0.00 O ATOM 649 CB ILE A 45 -0.638 -3.497 -13.801 1.00 0.00 C ATOM 650 CG1 ILE A 45 -0.310 -3.680 -15.286 1.00 0.00 C ATOM 651 CG2 ILE A 45 -1.823 -2.540 -13.658 1.00 0.00 C ATOM 652 CD1 ILE A 45 -1.126 -4.842 -15.851 1.00 0.00 C ATOM 0 H ILE A 45 1.699 -2.438 -14.832 1.00 0.00 H new ATOM 0 HA ILE A 45 0.250 -2.366 -12.198 1.00 0.00 H new ATOM 0 HB ILE A 45 -0.894 -4.461 -13.362 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -0.534 -2.765 -15.834 1.00 0.00 H new ATOM 0 HG13 ILE A 45 0.755 -3.875 -15.412 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -2.690 -2.954 -14.173 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -2.058 -2.407 -12.602 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -1.567 -1.576 -14.097 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -0.892 -4.971 -16.908 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -0.880 -5.756 -15.310 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -2.189 -4.629 -15.738 1.00 0.00 H new ATOM 664 N LYS A 46 1.277 -4.618 -11.494 1.00 0.00 N ATOM 665 CA LYS A 46 2.150 -5.729 -11.021 1.00 0.00 C ATOM 666 C LYS A 46 1.290 -6.952 -10.694 1.00 0.00 C ATOM 667 O LYS A 46 0.297 -6.855 -10.000 1.00 0.00 O ATOM 668 CB LYS A 46 2.904 -5.286 -9.766 1.00 0.00 C ATOM 669 CG LYS A 46 4.121 -6.189 -9.554 1.00 0.00 C ATOM 670 CD LYS A 46 4.912 -5.703 -8.339 1.00 0.00 C ATOM 671 CE LYS A 46 6.403 -5.956 -8.564 1.00 0.00 C ATOM 672 NZ LYS A 46 6.836 -5.288 -9.824 1.00 0.00 N ATOM 0 H LYS A 46 0.523 -4.357 -10.859 1.00 0.00 H new ATOM 0 HA LYS A 46 2.864 -5.987 -11.803 1.00 0.00 H new ATOM 0 HB2 LYS A 46 3.222 -4.248 -9.867 1.00 0.00 H new ATOM 0 HB3 LYS A 46 2.246 -5.335 -8.898 1.00 0.00 H new ATOM 0 HG2 LYS A 46 3.800 -7.220 -9.404 1.00 0.00 H new ATOM 0 HG3 LYS A 46 4.754 -6.178 -10.441 1.00 0.00 H new ATOM 0 HD2 LYS A 46 4.733 -4.640 -8.177 1.00 0.00 H new ATOM 0 HD3 LYS A 46 4.576 -6.223 -7.442 1.00 0.00 H new ATOM 0 HE2 LYS A 46 6.979 -5.574 -7.721 1.00 0.00 H new ATOM 0 HE3 LYS A 46 6.596 -7.027 -8.623 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 7.795 -4.905 -9.702 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 6.836 -5.979 -10.601 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 6.180 -4.513 -10.049 1.00 0.00 H new ATOM 686 N VAL A 47 1.662 -8.099 -11.188 1.00 0.00 N ATOM 687 CA VAL A 47 0.867 -9.327 -10.905 1.00 0.00 C ATOM 688 C VAL A 47 1.778 -10.405 -10.315 1.00 0.00 C ATOM 689 O VAL A 47 2.888 -10.607 -10.767 1.00 0.00 O ATOM 690 CB VAL A 47 0.246 -9.843 -12.203 1.00 0.00 C ATOM 691 CG1 VAL A 47 -0.583 -11.095 -11.910 1.00 0.00 C ATOM 692 CG2 VAL A 47 -0.658 -8.763 -12.799 1.00 0.00 C ATOM 0 H VAL A 47 2.483 -8.240 -11.776 1.00 0.00 H new ATOM 0 HA VAL A 47 0.078 -9.089 -10.192 1.00 0.00 H new ATOM 0 HB VAL A 47 1.037 -10.088 -12.912 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -1.026 -11.463 -12.836 1.00 0.00 H new ATOM 0 HG12 VAL A 47 0.060 -11.865 -11.484 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -1.374 -10.850 -11.202 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -1.101 -9.130 -13.725 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -1.449 -8.518 -12.090 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -0.069 -7.870 -13.008 1.00 0.00 H new ATOM 702 N ASP A 48 1.319 -11.097 -9.309 1.00 0.00 N ATOM 703 CA ASP A 48 2.159 -12.162 -8.692 1.00 0.00 C ATOM 704 C ASP A 48 1.351 -12.893 -7.620 1.00 0.00 C ATOM 705 O ASP A 48 1.534 -14.072 -7.389 1.00 0.00 O ATOM 706 CB ASP A 48 3.392 -11.531 -8.048 1.00 0.00 C ATOM 707 CG ASP A 48 4.587 -11.656 -8.996 1.00 0.00 C ATOM 708 OD1 ASP A 48 4.882 -12.768 -9.402 1.00 0.00 O ATOM 709 OD2 ASP A 48 5.185 -10.638 -9.300 1.00 0.00 O ATOM 0 H ASP A 48 0.399 -10.971 -8.888 1.00 0.00 H new ATOM 0 HA ASP A 48 2.469 -12.868 -9.462 1.00 0.00 H new ATOM 0 HB2 ASP A 48 3.201 -10.482 -7.824 1.00 0.00 H new ATOM 0 HB3 ASP A 48 3.613 -12.024 -7.101 1.00 0.00 H new ATOM 714 N ASP A 49 0.460 -12.205 -6.963 1.00 0.00 N ATOM 715 CA ASP A 49 -0.357 -12.864 -5.906 1.00 0.00 C ATOM 716 C ASP A 49 -1.212 -13.958 -6.544 1.00 0.00 C ATOM 717 O ASP A 49 -2.411 -14.010 -6.360 1.00 0.00 O ATOM 718 CB ASP A 49 -1.258 -11.827 -5.233 1.00 0.00 C ATOM 719 CG ASP A 49 -0.608 -11.359 -3.929 1.00 0.00 C ATOM 720 OD1 ASP A 49 -0.015 -12.186 -3.257 1.00 0.00 O ATOM 721 OD2 ASP A 49 -0.715 -10.182 -3.625 1.00 0.00 O ATOM 0 H ASP A 49 0.262 -11.216 -7.112 1.00 0.00 H new ATOM 0 HA ASP A 49 0.298 -13.306 -5.155 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -1.415 -10.979 -5.899 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -2.238 -12.258 -5.029 1.00 0.00 H new ATOM 726 N ASN A 50 -0.596 -14.830 -7.296 1.00 0.00 N ATOM 727 CA ASN A 50 -1.358 -15.929 -7.958 1.00 0.00 C ATOM 728 C ASN A 50 -2.197 -15.355 -9.101 1.00 0.00 C ATOM 729 O ASN A 50 -3.397 -15.540 -9.159 1.00 0.00 O ATOM 730 CB ASN A 50 -2.274 -16.613 -6.939 1.00 0.00 C ATOM 731 CG ASN A 50 -1.536 -16.762 -5.608 1.00 0.00 C ATOM 732 OD1 ASN A 50 -1.877 -16.009 -4.597 1.00 0.00 O flip ATOM 733 ND2 ASN A 50 -0.638 -17.571 -5.485 1.00 0.00 N flip ATOM 0 H ASN A 50 0.407 -14.829 -7.481 1.00 0.00 H new ATOM 0 HA ASN A 50 -0.657 -16.662 -8.357 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -3.182 -16.027 -6.800 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -2.580 -17.592 -7.309 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -0.371 -18.160 -6.274 1.00 0.00 H new ATOM 0 HD22 ASN A 50 -0.152 -17.661 -4.593 1.00 0.00 H new ATOM 740 N GLY A 51 -1.574 -14.664 -10.014 1.00 0.00 N ATOM 741 CA GLY A 51 -2.331 -14.081 -11.159 1.00 0.00 C ATOM 742 C GLY A 51 -3.115 -12.855 -10.690 1.00 0.00 C ATOM 743 O GLY A 51 -3.882 -12.276 -11.433 1.00 0.00 O ATOM 0 H GLY A 51 -0.571 -14.477 -10.018 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -1.643 -13.801 -11.957 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -3.013 -14.824 -11.572 1.00 0.00 H new ATOM 747 N ILE A 52 -2.930 -12.451 -9.464 1.00 0.00 N ATOM 748 CA ILE A 52 -3.667 -11.261 -8.953 1.00 0.00 C ATOM 749 C ILE A 52 -2.770 -10.024 -9.048 1.00 0.00 C ATOM 750 O ILE A 52 -1.560 -10.125 -9.092 1.00 0.00 O ATOM 751 CB ILE A 52 -4.063 -11.494 -7.494 1.00 0.00 C ATOM 752 CG1 ILE A 52 -5.065 -12.651 -7.418 1.00 0.00 C ATOM 753 CG2 ILE A 52 -4.702 -10.225 -6.929 1.00 0.00 C ATOM 754 CD1 ILE A 52 -6.484 -12.117 -7.621 1.00 0.00 C ATOM 0 H ILE A 52 -2.301 -12.893 -8.794 1.00 0.00 H new ATOM 0 HA ILE A 52 -4.564 -11.105 -9.552 1.00 0.00 H new ATOM 0 HB ILE A 52 -3.176 -11.742 -6.911 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -4.834 -13.396 -8.179 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -4.988 -13.149 -6.451 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -4.984 -10.391 -5.889 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -3.989 -9.403 -6.984 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -5.590 -9.975 -7.510 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -7.194 -12.942 -7.566 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -6.713 -11.389 -6.843 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -6.557 -11.640 -8.598 1.00 0.00 H new ATOM 766 N ILE A 53 -3.354 -8.857 -9.081 1.00 0.00 N ATOM 767 CA ILE A 53 -2.535 -7.616 -9.174 1.00 0.00 C ATOM 768 C ILE A 53 -1.886 -7.329 -7.818 1.00 0.00 C ATOM 769 O ILE A 53 -2.508 -6.789 -6.923 1.00 0.00 O ATOM 770 CB ILE A 53 -3.430 -6.440 -9.566 1.00 0.00 C ATOM 771 CG1 ILE A 53 -3.811 -6.558 -11.044 1.00 0.00 C ATOM 772 CG2 ILE A 53 -2.678 -5.129 -9.339 1.00 0.00 C ATOM 773 CD1 ILE A 53 -4.807 -5.453 -11.402 1.00 0.00 C ATOM 0 H ILE A 53 -4.363 -8.710 -9.048 1.00 0.00 H new ATOM 0 HA ILE A 53 -1.760 -7.751 -9.928 1.00 0.00 H new ATOM 0 HB ILE A 53 -4.333 -6.453 -8.955 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -2.921 -6.477 -11.668 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -4.250 -7.536 -11.241 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -3.316 -4.291 -9.618 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -2.406 -5.043 -8.287 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -1.775 -5.117 -9.949 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -5.079 -5.536 -12.454 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -5.701 -5.556 -10.787 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -4.351 -4.480 -11.221 1.00 0.00 H new ATOM 785 N GLU A 54 -0.641 -7.687 -7.660 1.00 0.00 N ATOM 786 CA GLU A 54 0.049 -7.437 -6.362 1.00 0.00 C ATOM 787 C GLU A 54 0.056 -5.937 -6.062 1.00 0.00 C ATOM 788 O GLU A 54 -0.331 -5.507 -4.993 1.00 0.00 O ATOM 789 CB GLU A 54 1.490 -7.947 -6.443 1.00 0.00 C ATOM 790 CG GLU A 54 1.789 -8.835 -5.232 1.00 0.00 C ATOM 791 CD GLU A 54 1.823 -7.977 -3.965 1.00 0.00 C ATOM 792 OE1 GLU A 54 1.362 -6.849 -4.025 1.00 0.00 O ATOM 793 OE2 GLU A 54 2.309 -8.462 -2.957 1.00 0.00 O ATOM 0 H GLU A 54 -0.071 -8.142 -8.374 1.00 0.00 H new ATOM 0 HA GLU A 54 -0.480 -7.962 -5.566 1.00 0.00 H new ATOM 0 HB2 GLU A 54 1.636 -8.510 -7.365 1.00 0.00 H new ATOM 0 HB3 GLU A 54 2.183 -7.106 -6.470 1.00 0.00 H new ATOM 0 HG2 GLU A 54 1.028 -9.610 -5.139 1.00 0.00 H new ATOM 0 HG3 GLU A 54 2.745 -9.342 -5.366 1.00 0.00 H new ATOM 800 N ASP A 55 0.495 -5.135 -6.993 1.00 0.00 N ATOM 801 CA ASP A 55 0.528 -3.665 -6.751 1.00 0.00 C ATOM 802 C ASP A 55 0.315 -2.918 -8.069 1.00 0.00 C ATOM 803 O ASP A 55 0.057 -3.510 -9.098 1.00 0.00 O ATOM 804 CB ASP A 55 1.888 -3.278 -6.163 1.00 0.00 C ATOM 805 CG ASP A 55 1.705 -2.136 -5.162 1.00 0.00 C ATOM 806 OD1 ASP A 55 0.986 -2.330 -4.195 1.00 0.00 O ATOM 807 OD2 ASP A 55 2.287 -1.086 -5.378 1.00 0.00 O ATOM 0 H ASP A 55 0.831 -5.433 -7.909 1.00 0.00 H new ATOM 0 HA ASP A 55 -0.265 -3.397 -6.053 1.00 0.00 H new ATOM 0 HB2 ASP A 55 2.341 -4.138 -5.670 1.00 0.00 H new ATOM 0 HB3 ASP A 55 2.567 -2.972 -6.959 1.00 0.00 H new ATOM 812 N ALA A 56 0.422 -1.617 -8.042 1.00 0.00 N ATOM 813 CA ALA A 56 0.230 -0.822 -9.288 1.00 0.00 C ATOM 814 C ALA A 56 0.949 0.520 -9.142 1.00 0.00 C ATOM 815 O ALA A 56 0.692 1.275 -8.226 1.00 0.00 O ATOM 816 CB ALA A 56 -1.263 -0.581 -9.515 1.00 0.00 C ATOM 0 H ALA A 56 0.635 -1.069 -7.208 1.00 0.00 H new ATOM 0 HA ALA A 56 0.640 -1.367 -10.138 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -1.403 0.000 -10.426 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -1.775 -1.538 -9.613 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -1.676 -0.033 -8.668 1.00 0.00 H new ATOM 822 N LYS A 57 1.854 0.822 -10.033 1.00 0.00 N ATOM 823 CA LYS A 57 2.591 2.113 -9.935 1.00 0.00 C ATOM 824 C LYS A 57 1.914 3.167 -10.813 1.00 0.00 C ATOM 825 O LYS A 57 1.368 2.868 -11.856 1.00 0.00 O ATOM 826 CB LYS A 57 4.036 1.910 -10.404 1.00 0.00 C ATOM 827 CG LYS A 57 4.991 2.091 -9.221 1.00 0.00 C ATOM 828 CD LYS A 57 6.419 2.265 -9.742 1.00 0.00 C ATOM 829 CE LYS A 57 7.292 2.876 -8.643 1.00 0.00 C ATOM 830 NZ LYS A 57 7.450 1.895 -7.533 1.00 0.00 N ATOM 0 H LYS A 57 2.114 0.231 -10.823 1.00 0.00 H new ATOM 0 HA LYS A 57 2.585 2.453 -8.899 1.00 0.00 H new ATOM 0 HB2 LYS A 57 4.154 0.914 -10.830 1.00 0.00 H new ATOM 0 HB3 LYS A 57 4.277 2.624 -11.191 1.00 0.00 H new ATOM 0 HG2 LYS A 57 4.698 2.961 -8.633 1.00 0.00 H new ATOM 0 HG3 LYS A 57 4.936 1.226 -8.560 1.00 0.00 H new ATOM 0 HD2 LYS A 57 6.825 1.302 -10.050 1.00 0.00 H new ATOM 0 HD3 LYS A 57 6.421 2.908 -10.622 1.00 0.00 H new ATOM 0 HE2 LYS A 57 8.268 3.145 -9.046 1.00 0.00 H new ATOM 0 HE3 LYS A 57 6.837 3.794 -8.270 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 8.149 2.252 -6.851 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 6.536 1.762 -7.055 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 7.775 0.985 -7.918 1.00 0.00 H new ATOM 844 N PHE A 58 1.952 4.403 -10.397 1.00 0.00 N ATOM 845 CA PHE A 58 1.320 5.486 -11.201 1.00 0.00 C ATOM 846 C PHE A 58 2.280 6.675 -11.280 1.00 0.00 C ATOM 847 O PHE A 58 3.238 6.758 -10.536 1.00 0.00 O ATOM 848 CB PHE A 58 0.015 5.927 -10.533 1.00 0.00 C ATOM 849 CG PHE A 58 0.201 5.952 -9.035 1.00 0.00 C ATOM 850 CD1 PHE A 58 0.385 4.755 -8.331 1.00 0.00 C ATOM 851 CD2 PHE A 58 0.191 7.172 -8.349 1.00 0.00 C ATOM 852 CE1 PHE A 58 0.558 4.779 -6.943 1.00 0.00 C ATOM 853 CE2 PHE A 58 0.363 7.196 -6.959 1.00 0.00 C ATOM 854 CZ PHE A 58 0.547 5.999 -6.257 1.00 0.00 C ATOM 0 H PHE A 58 2.395 4.710 -9.531 1.00 0.00 H new ATOM 0 HA PHE A 58 1.104 5.119 -12.204 1.00 0.00 H new ATOM 0 HB2 PHE A 58 -0.274 6.915 -10.891 1.00 0.00 H new ATOM 0 HB3 PHE A 58 -0.791 5.244 -10.799 1.00 0.00 H new ATOM 0 HD1 PHE A 58 0.393 3.813 -8.860 1.00 0.00 H new ATOM 0 HD2 PHE A 58 0.051 8.095 -8.892 1.00 0.00 H new ATOM 0 HE1 PHE A 58 0.700 3.856 -6.401 1.00 0.00 H new ATOM 0 HE2 PHE A 58 0.354 8.137 -6.429 1.00 0.00 H new ATOM 0 HZ PHE A 58 0.681 6.017 -5.185 1.00 0.00 H new ATOM 864 N LYS A 59 2.039 7.596 -12.172 1.00 0.00 N ATOM 865 CA LYS A 59 2.951 8.771 -12.283 1.00 0.00 C ATOM 866 C LYS A 59 2.265 9.894 -13.064 1.00 0.00 C ATOM 867 O LYS A 59 1.992 9.771 -14.241 1.00 0.00 O ATOM 868 CB LYS A 59 4.230 8.354 -13.011 1.00 0.00 C ATOM 869 CG LYS A 59 5.444 8.944 -12.290 1.00 0.00 C ATOM 870 CD LYS A 59 6.726 8.421 -12.940 1.00 0.00 C ATOM 871 CE LYS A 59 7.924 9.222 -12.427 1.00 0.00 C ATOM 872 NZ LYS A 59 8.797 9.599 -13.574 1.00 0.00 N ATOM 0 H LYS A 59 1.256 7.587 -12.825 1.00 0.00 H new ATOM 0 HA LYS A 59 3.196 9.129 -11.283 1.00 0.00 H new ATOM 0 HB2 LYS A 59 4.305 7.267 -13.042 1.00 0.00 H new ATOM 0 HB3 LYS A 59 4.203 8.701 -14.044 1.00 0.00 H new ATOM 0 HG2 LYS A 59 5.416 10.033 -12.339 1.00 0.00 H new ATOM 0 HG3 LYS A 59 5.421 8.672 -11.235 1.00 0.00 H new ATOM 0 HD2 LYS A 59 6.857 7.364 -12.710 1.00 0.00 H new ATOM 0 HD3 LYS A 59 6.657 8.505 -14.025 1.00 0.00 H new ATOM 0 HE2 LYS A 59 7.581 10.117 -11.908 1.00 0.00 H new ATOM 0 HE3 LYS A 59 8.488 8.631 -11.706 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 9.612 10.144 -13.226 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 9.134 8.739 -14.051 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 8.255 10.178 -14.247 1.00 0.00 H new ATOM 886 N THR A 60 1.992 10.994 -12.416 1.00 0.00 N ATOM 887 CA THR A 60 1.333 12.133 -13.114 1.00 0.00 C ATOM 888 C THR A 60 1.998 13.441 -12.681 1.00 0.00 C ATOM 889 O THR A 60 2.150 13.709 -11.506 1.00 0.00 O ATOM 890 CB THR A 60 -0.153 12.174 -12.745 1.00 0.00 C ATOM 891 OG1 THR A 60 -0.403 13.309 -11.927 1.00 0.00 O ATOM 892 CG2 THR A 60 -0.531 10.902 -11.985 1.00 0.00 C ATOM 0 H THR A 60 2.198 11.153 -11.430 1.00 0.00 H new ATOM 0 HA THR A 60 1.434 12.006 -14.192 1.00 0.00 H new ATOM 0 HB THR A 60 -0.751 12.240 -13.654 1.00 0.00 H new ATOM 0 HG1 THR A 60 -1.354 13.339 -11.690 1.00 0.00 H new ATOM 0 HG21 THR A 60 -1.589 10.935 -11.724 1.00 0.00 H new ATOM 0 HG22 THR A 60 -0.339 10.032 -12.613 1.00 0.00 H new ATOM 0 HG23 THR A 60 0.065 10.831 -11.075 1.00 0.00 H new ATOM 900 N TYR A 61 2.398 14.258 -13.617 1.00 0.00 N ATOM 901 CA TYR A 61 3.055 15.544 -13.246 1.00 0.00 C ATOM 902 C TYR A 61 2.798 16.589 -14.334 1.00 0.00 C ATOM 903 O TYR A 61 3.188 16.423 -15.473 1.00 0.00 O ATOM 904 CB TYR A 61 4.562 15.322 -13.099 1.00 0.00 C ATOM 905 CG TYR A 61 5.043 15.973 -11.823 1.00 0.00 C ATOM 906 CD1 TYR A 61 4.814 17.336 -11.604 1.00 0.00 C ATOM 907 CD2 TYR A 61 5.715 15.212 -10.858 1.00 0.00 C ATOM 908 CE1 TYR A 61 5.259 17.940 -10.422 1.00 0.00 C ATOM 909 CE2 TYR A 61 6.159 15.815 -9.676 1.00 0.00 C ATOM 910 CZ TYR A 61 5.930 17.178 -9.457 1.00 0.00 C ATOM 911 OH TYR A 61 6.368 17.773 -8.292 1.00 0.00 O ATOM 0 H TYR A 61 2.299 14.092 -14.619 1.00 0.00 H new ATOM 0 HA TYR A 61 2.644 15.899 -12.301 1.00 0.00 H new ATOM 0 HB2 TYR A 61 4.784 14.255 -13.082 1.00 0.00 H new ATOM 0 HB3 TYR A 61 5.088 15.743 -13.956 1.00 0.00 H new ATOM 0 HD1 TYR A 61 4.294 17.922 -12.347 1.00 0.00 H new ATOM 0 HD2 TYR A 61 5.890 14.160 -11.026 1.00 0.00 H new ATOM 0 HE1 TYR A 61 5.085 18.993 -10.254 1.00 0.00 H new ATOM 0 HE2 TYR A 61 6.678 15.228 -8.933 1.00 0.00 H new ATOM 0 HH TYR A 61 6.813 17.104 -7.730 1.00 0.00 H new ATOM 921 N GLY A 62 2.144 17.664 -13.992 1.00 0.00 N ATOM 922 CA GLY A 62 1.862 18.722 -15.003 1.00 0.00 C ATOM 923 C GLY A 62 0.596 19.482 -14.606 1.00 0.00 C ATOM 924 O GLY A 62 0.591 20.692 -14.506 1.00 0.00 O ATOM 0 H GLY A 62 1.792 17.856 -13.054 1.00 0.00 H new ATOM 0 HA2 GLY A 62 2.705 19.409 -15.071 1.00 0.00 H new ATOM 0 HA3 GLY A 62 1.736 18.274 -15.989 1.00 0.00 H new ATOM 928 N CYS A 63 -0.480 18.779 -14.376 1.00 0.00 N ATOM 929 CA CYS A 63 -1.745 19.459 -13.983 1.00 0.00 C ATOM 930 C CYS A 63 -2.021 19.201 -12.501 1.00 0.00 C ATOM 931 O CYS A 63 -1.859 18.100 -12.012 1.00 0.00 O ATOM 932 CB CYS A 63 -2.902 18.907 -14.819 1.00 0.00 C ATOM 933 SG CYS A 63 -2.259 18.254 -16.381 1.00 0.00 S ATOM 0 H CYS A 63 -0.537 17.763 -14.444 1.00 0.00 H new ATOM 0 HA CYS A 63 -1.651 20.531 -14.156 1.00 0.00 H new ATOM 0 HB2 CYS A 63 -3.419 18.121 -14.269 1.00 0.00 H new ATOM 0 HB3 CYS A 63 -3.632 19.693 -15.014 1.00 0.00 H new ATOM 0 HG CYS A 63 -2.044 19.235 -17.206 1.00 0.00 H new ATOM 939 N GLY A 64 -2.435 20.206 -11.780 1.00 0.00 N ATOM 940 CA GLY A 64 -2.720 20.015 -10.329 1.00 0.00 C ATOM 941 C GLY A 64 -4.133 19.457 -10.153 1.00 0.00 C ATOM 942 O GLY A 64 -4.764 19.649 -9.133 1.00 0.00 O ATOM 0 H GLY A 64 -2.588 21.151 -12.132 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -1.991 19.332 -9.892 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -2.624 20.964 -9.801 1.00 0.00 H new ATOM 946 N SER A 65 -4.637 18.766 -11.140 1.00 0.00 N ATOM 947 CA SER A 65 -6.009 18.197 -11.026 1.00 0.00 C ATOM 948 C SER A 65 -5.948 16.678 -11.201 1.00 0.00 C ATOM 949 O SER A 65 -6.596 15.935 -10.491 1.00 0.00 O ATOM 950 CB SER A 65 -6.904 18.801 -12.109 1.00 0.00 C ATOM 951 OG SER A 65 -6.551 20.165 -12.302 1.00 0.00 O ATOM 0 H SER A 65 -4.158 18.572 -12.019 1.00 0.00 H new ATOM 0 HA SER A 65 -6.419 18.433 -10.044 1.00 0.00 H new ATOM 0 HB2 SER A 65 -6.790 18.248 -13.041 1.00 0.00 H new ATOM 0 HB3 SER A 65 -7.951 18.722 -11.818 1.00 0.00 H new ATOM 0 HG SER A 65 -7.121 20.555 -12.997 1.00 0.00 H new ATOM 957 N ALA A 66 -5.176 16.211 -12.144 1.00 0.00 N ATOM 958 CA ALA A 66 -5.076 14.740 -12.366 1.00 0.00 C ATOM 959 C ALA A 66 -4.432 14.080 -11.144 1.00 0.00 C ATOM 960 O ALA A 66 -4.694 12.935 -10.836 1.00 0.00 O ATOM 961 CB ALA A 66 -4.218 14.468 -13.603 1.00 0.00 C ATOM 0 H ALA A 66 -4.610 16.784 -12.770 1.00 0.00 H new ATOM 0 HA ALA A 66 -6.074 14.328 -12.517 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -4.145 13.393 -13.766 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -4.677 14.936 -14.474 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -3.221 14.881 -13.452 1.00 0.00 H new ATOM 967 N ILE A 67 -3.591 14.793 -10.444 1.00 0.00 N ATOM 968 CA ILE A 67 -2.934 14.201 -9.244 1.00 0.00 C ATOM 969 C ILE A 67 -3.997 13.582 -8.335 1.00 0.00 C ATOM 970 O ILE A 67 -3.688 12.963 -7.336 1.00 0.00 O ATOM 971 CB ILE A 67 -2.183 15.295 -8.482 1.00 0.00 C ATOM 972 CG1 ILE A 67 -1.009 15.790 -9.332 1.00 0.00 C ATOM 973 CG2 ILE A 67 -1.656 14.727 -7.164 1.00 0.00 C ATOM 974 CD1 ILE A 67 0.197 14.872 -9.121 1.00 0.00 C ATOM 0 H ILE A 67 -3.331 15.757 -10.651 1.00 0.00 H new ATOM 0 HA ILE A 67 -2.231 13.430 -9.557 1.00 0.00 H new ATOM 0 HB ILE A 67 -2.858 16.125 -8.274 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -1.289 15.804 -10.385 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -0.753 16.813 -9.057 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -1.121 15.506 -6.620 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -2.492 14.372 -6.561 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -0.979 13.898 -7.370 1.00 0.00 H new ATOM 0 HD11 ILE A 67 1.033 15.224 -9.726 1.00 0.00 H new ATOM 0 HD12 ILE A 67 0.482 14.881 -8.069 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -0.063 13.856 -9.418 1.00 0.00 H new ATOM 986 N ALA A 68 -5.247 13.743 -8.673 1.00 0.00 N ATOM 987 CA ALA A 68 -6.327 13.161 -7.827 1.00 0.00 C ATOM 988 C ALA A 68 -6.779 11.826 -8.421 1.00 0.00 C ATOM 989 O ALA A 68 -6.757 10.804 -7.764 1.00 0.00 O ATOM 990 CB ALA A 68 -7.515 14.124 -7.782 1.00 0.00 C ATOM 0 H ALA A 68 -5.567 14.252 -9.497 1.00 0.00 H new ATOM 0 HA ALA A 68 -5.949 13.001 -6.817 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -8.305 13.698 -7.163 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -7.196 15.076 -7.359 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -7.892 14.284 -8.792 1.00 0.00 H new ATOM 996 N SER A 69 -7.191 11.828 -9.660 1.00 0.00 N ATOM 997 CA SER A 69 -7.649 10.561 -10.296 1.00 0.00 C ATOM 998 C SER A 69 -6.604 9.465 -10.072 1.00 0.00 C ATOM 999 O SER A 69 -6.893 8.290 -10.174 1.00 0.00 O ATOM 1000 CB SER A 69 -7.837 10.784 -11.798 1.00 0.00 C ATOM 1001 OG SER A 69 -9.224 10.763 -12.105 1.00 0.00 O ATOM 0 H SER A 69 -7.230 12.653 -10.259 1.00 0.00 H new ATOM 0 HA SER A 69 -8.595 10.255 -9.850 1.00 0.00 H new ATOM 0 HB2 SER A 69 -7.402 11.739 -12.093 1.00 0.00 H new ATOM 0 HB3 SER A 69 -7.316 10.009 -12.361 1.00 0.00 H new ATOM 0 HG SER A 69 -9.348 10.907 -13.066 1.00 0.00 H new ATOM 1007 N SER A 70 -5.390 9.839 -9.772 1.00 0.00 N ATOM 1008 CA SER A 70 -4.330 8.815 -9.547 1.00 0.00 C ATOM 1009 C SER A 70 -4.597 8.078 -8.234 1.00 0.00 C ATOM 1010 O SER A 70 -4.827 6.884 -8.217 1.00 0.00 O ATOM 1011 CB SER A 70 -2.967 9.504 -9.475 1.00 0.00 C ATOM 1012 OG SER A 70 -2.745 9.968 -8.150 1.00 0.00 O ATOM 0 H SER A 70 -5.087 10.808 -9.673 1.00 0.00 H new ATOM 0 HA SER A 70 -4.336 8.100 -10.370 1.00 0.00 H new ATOM 0 HB2 SER A 70 -2.179 8.809 -9.766 1.00 0.00 H new ATOM 0 HB3 SER A 70 -2.931 10.338 -10.176 1.00 0.00 H new ATOM 0 HG SER A 70 -3.067 10.890 -8.068 1.00 0.00 H new ATOM 1018 N SER A 71 -4.564 8.776 -7.134 1.00 0.00 N ATOM 1019 CA SER A 71 -4.808 8.116 -5.821 1.00 0.00 C ATOM 1020 C SER A 71 -6.105 7.306 -5.881 1.00 0.00 C ATOM 1021 O SER A 71 -6.221 6.258 -5.278 1.00 0.00 O ATOM 1022 CB SER A 71 -4.924 9.181 -4.731 1.00 0.00 C ATOM 1023 OG SER A 71 -6.262 9.219 -4.252 1.00 0.00 O ATOM 0 H SER A 71 -4.378 9.778 -7.087 1.00 0.00 H new ATOM 0 HA SER A 71 -3.977 7.448 -5.594 1.00 0.00 H new ATOM 0 HB2 SER A 71 -4.239 8.957 -3.913 1.00 0.00 H new ATOM 0 HB3 SER A 71 -4.640 10.156 -5.127 1.00 0.00 H new ATOM 0 HG SER A 71 -6.339 9.900 -3.551 1.00 0.00 H new ATOM 1029 N LEU A 72 -7.084 7.785 -6.598 1.00 0.00 N ATOM 1030 CA LEU A 72 -8.375 7.045 -6.686 1.00 0.00 C ATOM 1031 C LEU A 72 -8.180 5.746 -7.473 1.00 0.00 C ATOM 1032 O LEU A 72 -8.063 4.678 -6.905 1.00 0.00 O ATOM 1033 CB LEU A 72 -9.414 7.918 -7.392 1.00 0.00 C ATOM 1034 CG LEU A 72 -10.818 7.450 -7.010 1.00 0.00 C ATOM 1035 CD1 LEU A 72 -11.203 8.042 -5.654 1.00 0.00 C ATOM 1036 CD2 LEU A 72 -11.817 7.918 -8.071 1.00 0.00 C ATOM 0 H LEU A 72 -7.046 8.656 -7.127 1.00 0.00 H new ATOM 0 HA LEU A 72 -8.720 6.805 -5.680 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -9.278 8.962 -7.111 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -9.281 7.859 -8.472 1.00 0.00 H new ATOM 0 HG LEU A 72 -10.833 6.362 -6.949 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -12.204 7.708 -5.382 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -10.492 7.711 -4.897 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -11.188 9.130 -5.714 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -12.819 7.585 -7.800 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -11.800 9.006 -8.131 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -11.544 7.497 -9.039 1.00 0.00 H new ATOM 1048 N ILE A 73 -8.153 5.827 -8.775 1.00 0.00 N ATOM 1049 CA ILE A 73 -7.977 4.594 -9.598 1.00 0.00 C ATOM 1050 C ILE A 73 -6.907 3.697 -8.971 1.00 0.00 C ATOM 1051 O ILE A 73 -7.099 2.508 -8.809 1.00 0.00 O ATOM 1052 CB ILE A 73 -7.549 4.981 -11.015 1.00 0.00 C ATOM 1053 CG1 ILE A 73 -7.366 3.713 -11.853 1.00 0.00 C ATOM 1054 CG2 ILE A 73 -6.227 5.748 -10.961 1.00 0.00 C ATOM 1055 CD1 ILE A 73 -7.782 3.990 -13.298 1.00 0.00 C ATOM 0 H ILE A 73 -8.245 6.693 -9.306 1.00 0.00 H new ATOM 0 HA ILE A 73 -8.922 4.053 -9.636 1.00 0.00 H new ATOM 0 HB ILE A 73 -8.315 5.612 -11.466 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -6.326 3.389 -11.819 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -7.966 2.902 -11.440 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -5.924 6.023 -11.971 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -6.354 6.650 -10.362 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -5.459 5.119 -10.511 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -7.651 3.087 -13.894 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -8.829 4.293 -13.324 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -7.163 4.788 -13.708 1.00 0.00 H new ATOM 1067 N THR A 74 -5.779 4.252 -8.620 1.00 0.00 N ATOM 1068 CA THR A 74 -4.701 3.422 -8.011 1.00 0.00 C ATOM 1069 C THR A 74 -5.255 2.663 -6.803 1.00 0.00 C ATOM 1070 O THR A 74 -4.895 1.529 -6.553 1.00 0.00 O ATOM 1071 CB THR A 74 -3.551 4.329 -7.563 1.00 0.00 C ATOM 1072 OG1 THR A 74 -4.049 5.316 -6.671 1.00 0.00 O ATOM 1073 CG2 THR A 74 -2.927 5.007 -8.785 1.00 0.00 C ATOM 0 H THR A 74 -5.558 5.242 -8.728 1.00 0.00 H new ATOM 0 HA THR A 74 -4.335 2.707 -8.748 1.00 0.00 H new ATOM 0 HB THR A 74 -2.792 3.732 -7.057 1.00 0.00 H new ATOM 0 HG1 THR A 74 -4.434 6.056 -7.184 1.00 0.00 H new ATOM 0 HG21 THR A 74 -2.109 5.652 -8.465 1.00 0.00 H new ATOM 0 HG22 THR A 74 -2.545 4.247 -9.467 1.00 0.00 H new ATOM 0 HG23 THR A 74 -3.682 5.605 -9.295 1.00 0.00 H new ATOM 1081 N GLU A 75 -6.131 3.275 -6.053 1.00 0.00 N ATOM 1082 CA GLU A 75 -6.703 2.582 -4.864 1.00 0.00 C ATOM 1083 C GLU A 75 -7.801 1.614 -5.312 1.00 0.00 C ATOM 1084 O GLU A 75 -8.248 0.775 -4.556 1.00 0.00 O ATOM 1085 CB GLU A 75 -7.297 3.619 -3.906 1.00 0.00 C ATOM 1086 CG GLU A 75 -7.180 3.114 -2.467 1.00 0.00 C ATOM 1087 CD GLU A 75 -7.503 4.252 -1.498 1.00 0.00 C ATOM 1088 OE1 GLU A 75 -6.659 5.116 -1.328 1.00 0.00 O ATOM 1089 OE2 GLU A 75 -8.590 4.242 -0.943 1.00 0.00 O ATOM 0 H GLU A 75 -6.474 4.222 -6.212 1.00 0.00 H new ATOM 0 HA GLU A 75 -5.915 2.025 -4.356 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -6.774 4.569 -4.012 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -8.343 3.802 -4.154 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -7.864 2.281 -2.306 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -6.173 2.740 -2.283 1.00 0.00 H new ATOM 1096 N TRP A 76 -8.238 1.724 -6.538 1.00 0.00 N ATOM 1097 CA TRP A 76 -9.307 0.809 -7.033 1.00 0.00 C ATOM 1098 C TRP A 76 -8.682 -0.309 -7.871 1.00 0.00 C ATOM 1099 O TRP A 76 -9.360 -1.211 -8.319 1.00 0.00 O ATOM 1100 CB TRP A 76 -10.292 1.598 -7.899 1.00 0.00 C ATOM 1101 CG TRP A 76 -11.313 2.255 -7.030 1.00 0.00 C ATOM 1102 CD1 TRP A 76 -11.112 2.637 -5.747 1.00 0.00 C ATOM 1103 CD2 TRP A 76 -12.687 2.617 -7.354 1.00 0.00 C ATOM 1104 NE1 TRP A 76 -12.275 3.209 -5.264 1.00 0.00 N ATOM 1105 CE2 TRP A 76 -13.273 3.221 -6.216 1.00 0.00 C ATOM 1106 CE3 TRP A 76 -13.472 2.484 -8.513 1.00 0.00 C ATOM 1107 CZ2 TRP A 76 -14.594 3.673 -6.228 1.00 0.00 C ATOM 1108 CZ3 TRP A 76 -14.802 2.938 -8.528 1.00 0.00 C ATOM 1109 CH2 TRP A 76 -15.360 3.533 -7.388 1.00 0.00 C ATOM 0 H TRP A 76 -7.902 2.407 -7.217 1.00 0.00 H new ATOM 0 HA TRP A 76 -9.831 0.375 -6.182 1.00 0.00 H new ATOM 0 HB2 TRP A 76 -9.758 2.349 -8.481 1.00 0.00 H new ATOM 0 HB3 TRP A 76 -10.780 0.932 -8.610 1.00 0.00 H new ATOM 0 HD1 TRP A 76 -10.194 2.515 -5.191 1.00 0.00 H new ATOM 0 HE1 TRP A 76 -12.382 3.577 -4.319 1.00 0.00 H new ATOM 0 HE3 TRP A 76 -13.050 2.030 -9.397 1.00 0.00 H new ATOM 0 HZ2 TRP A 76 -15.021 4.128 -5.346 1.00 0.00 H new ATOM 0 HZ3 TRP A 76 -15.397 2.828 -9.422 1.00 0.00 H new ATOM 0 HH2 TRP A 76 -16.382 3.883 -7.406 1.00 0.00 H new ATOM 1120 N VAL A 77 -7.396 -0.255 -8.093 1.00 0.00 N ATOM 1121 CA VAL A 77 -6.740 -1.315 -8.912 1.00 0.00 C ATOM 1122 C VAL A 77 -5.567 -1.923 -8.140 1.00 0.00 C ATOM 1123 O VAL A 77 -4.580 -2.333 -8.717 1.00 0.00 O ATOM 1124 CB VAL A 77 -6.225 -0.703 -10.215 1.00 0.00 C ATOM 1125 CG1 VAL A 77 -7.408 -0.207 -11.048 1.00 0.00 C ATOM 1126 CG2 VAL A 77 -5.301 0.473 -9.894 1.00 0.00 C ATOM 0 H VAL A 77 -6.774 0.474 -7.744 1.00 0.00 H new ATOM 0 HA VAL A 77 -7.467 -2.097 -9.133 1.00 0.00 H new ATOM 0 HB VAL A 77 -5.674 -1.457 -10.778 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -7.041 0.229 -11.977 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -8.069 -1.043 -11.276 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -7.958 0.547 -10.485 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -4.933 0.910 -10.822 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -5.853 1.226 -9.332 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -4.458 0.121 -9.299 1.00 0.00 H new ATOM 1136 N LYS A 78 -5.665 -1.994 -6.841 1.00 0.00 N ATOM 1137 CA LYS A 78 -4.551 -2.583 -6.045 1.00 0.00 C ATOM 1138 C LYS A 78 -5.023 -3.897 -5.419 1.00 0.00 C ATOM 1139 O LYS A 78 -5.792 -3.906 -4.478 1.00 0.00 O ATOM 1140 CB LYS A 78 -4.136 -1.606 -4.941 1.00 0.00 C ATOM 1141 CG LYS A 78 -2.624 -1.697 -4.707 1.00 0.00 C ATOM 1142 CD LYS A 78 -2.150 -0.463 -3.937 1.00 0.00 C ATOM 1143 CE LYS A 78 -1.446 0.497 -4.898 1.00 0.00 C ATOM 1144 NZ LYS A 78 -2.360 0.826 -6.028 1.00 0.00 N ATOM 0 H LYS A 78 -6.465 -1.671 -6.298 1.00 0.00 H new ATOM 0 HA LYS A 78 -3.696 -2.773 -6.694 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -4.409 -0.589 -5.222 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -4.670 -1.837 -4.019 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -2.386 -2.601 -4.147 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -2.101 -1.766 -5.661 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -2.999 0.034 -3.466 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -1.470 -0.758 -3.138 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -1.157 1.407 -4.373 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -0.530 0.043 -5.277 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -1.962 1.614 -6.578 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -2.466 -0.007 -6.642 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -3.290 1.101 -5.653 1.00 0.00 H new ATOM 1158 N GLY A 79 -4.574 -5.009 -5.937 1.00 0.00 N ATOM 1159 CA GLY A 79 -5.005 -6.319 -5.372 1.00 0.00 C ATOM 1160 C GLY A 79 -6.246 -6.806 -6.122 1.00 0.00 C ATOM 1161 O GLY A 79 -6.896 -7.752 -5.722 1.00 0.00 O ATOM 0 H GLY A 79 -3.929 -5.066 -6.725 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -4.201 -7.050 -5.462 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -5.225 -6.216 -4.309 1.00 0.00 H new ATOM 1165 N LYS A 80 -6.581 -6.165 -7.208 1.00 0.00 N ATOM 1166 CA LYS A 80 -7.781 -6.586 -7.987 1.00 0.00 C ATOM 1167 C LYS A 80 -7.368 -7.612 -9.044 1.00 0.00 C ATOM 1168 O LYS A 80 -6.252 -8.094 -9.053 1.00 0.00 O ATOM 1169 CB LYS A 80 -8.394 -5.364 -8.676 1.00 0.00 C ATOM 1170 CG LYS A 80 -8.850 -4.355 -7.619 1.00 0.00 C ATOM 1171 CD LYS A 80 -10.139 -4.849 -6.956 1.00 0.00 C ATOM 1172 CE LYS A 80 -11.207 -3.756 -7.035 1.00 0.00 C ATOM 1173 NZ LYS A 80 -10.806 -2.604 -6.178 1.00 0.00 N ATOM 0 H LYS A 80 -6.075 -5.366 -7.591 1.00 0.00 H new ATOM 0 HA LYS A 80 -8.514 -7.032 -7.314 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -7.663 -4.904 -9.341 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -9.240 -5.668 -9.293 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -8.071 -4.223 -6.868 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -9.017 -3.381 -8.080 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -10.492 -5.753 -7.452 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -9.948 -5.110 -5.915 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -11.331 -3.429 -8.067 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -12.169 -4.149 -6.707 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -11.656 -2.106 -5.845 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -10.266 -2.951 -5.360 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -10.216 -1.950 -6.730 1.00 0.00 H new ATOM 1187 N SER A 81 -8.258 -7.951 -9.935 1.00 0.00 N ATOM 1188 CA SER A 81 -7.917 -8.947 -10.992 1.00 0.00 C ATOM 1189 C SER A 81 -7.911 -8.260 -12.359 1.00 0.00 C ATOM 1190 O SER A 81 -8.650 -7.325 -12.597 1.00 0.00 O ATOM 1191 CB SER A 81 -8.956 -10.068 -10.991 1.00 0.00 C ATOM 1192 OG SER A 81 -8.462 -11.168 -10.238 1.00 0.00 O ATOM 0 H SER A 81 -9.208 -7.582 -9.978 1.00 0.00 H new ATOM 0 HA SER A 81 -6.931 -9.365 -10.791 1.00 0.00 H new ATOM 0 HB2 SER A 81 -9.892 -9.711 -10.562 1.00 0.00 H new ATOM 0 HB3 SER A 81 -9.172 -10.380 -12.013 1.00 0.00 H new ATOM 0 HG SER A 81 -9.128 -11.887 -10.235 1.00 0.00 H new ATOM 1198 N LEU A 82 -7.084 -8.715 -13.259 1.00 0.00 N ATOM 1199 CA LEU A 82 -7.033 -8.088 -14.610 1.00 0.00 C ATOM 1200 C LEU A 82 -8.448 -8.003 -15.186 1.00 0.00 C ATOM 1201 O LEU A 82 -8.727 -7.205 -16.059 1.00 0.00 O ATOM 1202 CB LEU A 82 -6.158 -8.936 -15.535 1.00 0.00 C ATOM 1203 CG LEU A 82 -4.691 -8.535 -15.359 1.00 0.00 C ATOM 1204 CD1 LEU A 82 -3.814 -9.788 -15.374 1.00 0.00 C ATOM 1205 CD2 LEU A 82 -4.276 -7.610 -16.504 1.00 0.00 C ATOM 0 H LEU A 82 -6.441 -9.494 -13.118 1.00 0.00 H new ATOM 0 HA LEU A 82 -6.611 -7.086 -14.529 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -6.287 -9.994 -15.306 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -6.463 -8.795 -16.572 1.00 0.00 H new ATOM 0 HG LEU A 82 -4.567 -8.017 -14.408 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -2.770 -9.503 -15.249 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -4.110 -10.449 -14.559 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -3.937 -10.307 -16.325 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -3.232 -7.324 -16.380 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -4.400 -8.129 -17.454 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -4.901 -6.717 -16.495 1.00 0.00 H new ATOM 1217 N GLU A 83 -9.344 -8.818 -14.703 1.00 0.00 N ATOM 1218 CA GLU A 83 -10.740 -8.782 -15.222 1.00 0.00 C ATOM 1219 C GLU A 83 -11.520 -7.683 -14.498 1.00 0.00 C ATOM 1220 O GLU A 83 -12.579 -7.272 -14.929 1.00 0.00 O ATOM 1221 CB GLU A 83 -11.413 -10.135 -14.976 1.00 0.00 C ATOM 1222 CG GLU A 83 -12.867 -10.072 -15.444 1.00 0.00 C ATOM 1223 CD GLU A 83 -13.493 -11.465 -15.356 1.00 0.00 C ATOM 1224 OE1 GLU A 83 -13.869 -11.857 -14.264 1.00 0.00 O ATOM 1225 OE2 GLU A 83 -13.588 -12.116 -16.384 1.00 0.00 O ATOM 0 H GLU A 83 -9.170 -9.507 -13.972 1.00 0.00 H new ATOM 0 HA GLU A 83 -10.727 -8.576 -16.292 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -10.881 -10.921 -15.512 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -11.371 -10.387 -13.916 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -13.428 -9.370 -14.827 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -12.914 -9.705 -16.469 1.00 0.00 H new ATOM 1232 N GLU A 84 -11.002 -7.201 -13.402 1.00 0.00 N ATOM 1233 CA GLU A 84 -11.710 -6.127 -12.651 1.00 0.00 C ATOM 1234 C GLU A 84 -11.241 -4.762 -13.160 1.00 0.00 C ATOM 1235 O GLU A 84 -11.966 -3.788 -13.110 1.00 0.00 O ATOM 1236 CB GLU A 84 -11.396 -6.253 -11.159 1.00 0.00 C ATOM 1237 CG GLU A 84 -12.380 -7.227 -10.509 1.00 0.00 C ATOM 1238 CD GLU A 84 -13.451 -6.440 -9.751 1.00 0.00 C ATOM 1239 OE1 GLU A 84 -13.113 -5.415 -9.182 1.00 0.00 O ATOM 1240 OE2 GLU A 84 -14.591 -6.876 -9.754 1.00 0.00 O ATOM 0 H GLU A 84 -10.118 -7.505 -12.994 1.00 0.00 H new ATOM 0 HA GLU A 84 -12.785 -6.223 -12.802 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -10.374 -6.606 -11.021 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -11.464 -5.277 -10.679 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -12.845 -7.854 -11.270 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -11.852 -7.893 -9.827 1.00 0.00 H new ATOM 1247 N ALA A 85 -10.035 -4.685 -13.651 1.00 0.00 N ATOM 1248 CA ALA A 85 -9.519 -3.385 -14.165 1.00 0.00 C ATOM 1249 C ALA A 85 -9.688 -3.339 -15.684 1.00 0.00 C ATOM 1250 O ALA A 85 -9.727 -2.281 -16.282 1.00 0.00 O ATOM 1251 CB ALA A 85 -8.036 -3.251 -13.814 1.00 0.00 C ATOM 0 H ALA A 85 -9.384 -5.467 -13.719 1.00 0.00 H new ATOM 0 HA ALA A 85 -10.075 -2.566 -13.710 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -7.658 -2.300 -14.190 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -7.914 -3.288 -12.732 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -7.479 -4.069 -14.270 1.00 0.00 H new ATOM 1257 N GLY A 86 -9.789 -4.477 -16.314 1.00 0.00 N ATOM 1258 CA GLY A 86 -9.956 -4.499 -17.795 1.00 0.00 C ATOM 1259 C GLY A 86 -11.438 -4.359 -18.146 1.00 0.00 C ATOM 1260 O GLY A 86 -11.993 -5.163 -18.866 1.00 0.00 O ATOM 0 H GLY A 86 -9.763 -5.393 -15.867 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -9.386 -3.687 -18.247 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -9.562 -5.430 -18.202 1.00 0.00 H new ATOM 1264 N ALA A 87 -12.083 -3.342 -17.642 1.00 0.00 N ATOM 1265 CA ALA A 87 -13.527 -3.150 -17.949 1.00 0.00 C ATOM 1266 C ALA A 87 -13.933 -1.728 -17.563 1.00 0.00 C ATOM 1267 O ALA A 87 -14.764 -1.113 -18.202 1.00 0.00 O ATOM 1268 CB ALA A 87 -14.359 -4.155 -17.149 1.00 0.00 C ATOM 0 H ALA A 87 -11.671 -2.636 -17.031 1.00 0.00 H new ATOM 0 HA ALA A 87 -13.701 -3.307 -19.013 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -15.416 -4.014 -17.374 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -14.063 -5.169 -17.419 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -14.191 -3.999 -16.083 1.00 0.00 H new ATOM 1274 N ILE A 88 -13.348 -1.201 -16.524 1.00 0.00 N ATOM 1275 CA ILE A 88 -13.691 0.182 -16.098 1.00 0.00 C ATOM 1276 C ILE A 88 -13.725 1.096 -17.323 1.00 0.00 C ATOM 1277 O ILE A 88 -13.199 0.769 -18.368 1.00 0.00 O ATOM 1278 CB ILE A 88 -12.631 0.683 -15.118 1.00 0.00 C ATOM 1279 CG1 ILE A 88 -11.239 0.426 -15.702 1.00 0.00 C ATOM 1280 CG2 ILE A 88 -12.769 -0.059 -13.788 1.00 0.00 C ATOM 1281 CD1 ILE A 88 -10.185 0.608 -14.609 1.00 0.00 C ATOM 0 H ILE A 88 -12.646 -1.670 -15.951 1.00 0.00 H new ATOM 0 HA ILE A 88 -14.668 0.187 -15.615 1.00 0.00 H new ATOM 0 HB ILE A 88 -12.767 1.752 -14.951 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -11.185 -0.583 -16.110 1.00 0.00 H new ATOM 0 HG13 ILE A 88 -11.046 1.113 -16.526 1.00 0.00 H new ATOM 0 HG21 ILE A 88 -12.012 0.300 -13.091 1.00 0.00 H new ATOM 0 HG22 ILE A 88 -13.760 0.121 -13.372 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -12.633 -1.128 -13.952 1.00 0.00 H new ATOM 0 HD11 ILE A 88 -9.194 0.425 -15.025 1.00 0.00 H new ATOM 0 HD12 ILE A 88 -10.234 1.626 -14.222 1.00 0.00 H new ATOM 0 HD13 ILE A 88 -10.375 -0.097 -13.800 1.00 0.00 H new ATOM 1293 N LYS A 89 -14.338 2.242 -17.203 1.00 0.00 N ATOM 1294 CA LYS A 89 -14.402 3.176 -18.362 1.00 0.00 C ATOM 1295 C LYS A 89 -13.897 4.554 -17.933 1.00 0.00 C ATOM 1296 O LYS A 89 -13.320 4.715 -16.875 1.00 0.00 O ATOM 1297 CB LYS A 89 -15.849 3.296 -18.846 1.00 0.00 C ATOM 1298 CG LYS A 89 -16.349 1.926 -19.312 1.00 0.00 C ATOM 1299 CD LYS A 89 -17.067 1.218 -18.159 1.00 0.00 C ATOM 1300 CE LYS A 89 -17.891 0.054 -18.712 1.00 0.00 C ATOM 1301 NZ LYS A 89 -18.309 -0.834 -17.592 1.00 0.00 N ATOM 0 H LYS A 89 -14.797 2.571 -16.353 1.00 0.00 H new ATOM 0 HA LYS A 89 -13.779 2.792 -19.170 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -16.482 3.671 -18.042 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -15.912 4.015 -19.663 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -17.027 2.044 -20.157 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -15.511 1.321 -19.658 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -16.340 0.851 -17.434 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -17.715 1.920 -17.634 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -18.768 0.432 -19.237 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -17.304 -0.509 -19.437 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -18.869 -1.626 -17.967 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -17.466 -1.205 -17.110 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -18.884 -0.292 -16.916 1.00 0.00 H new ATOM 1315 N ASN A 90 -14.111 5.553 -18.745 1.00 0.00 N ATOM 1316 CA ASN A 90 -13.645 6.920 -18.383 1.00 0.00 C ATOM 1317 C ASN A 90 -14.840 7.758 -17.925 1.00 0.00 C ATOM 1318 O ASN A 90 -14.695 8.712 -17.186 1.00 0.00 O ATOM 1319 CB ASN A 90 -12.998 7.576 -19.605 1.00 0.00 C ATOM 1320 CG ASN A 90 -14.082 7.946 -20.620 1.00 0.00 C ATOM 1321 OD1 ASN A 90 -14.854 8.972 -20.387 1.00 0.00 O flip ATOM 1322 ND2 ASN A 90 -14.226 7.295 -21.636 1.00 0.00 N flip ATOM 0 H ASN A 90 -14.589 5.481 -19.643 1.00 0.00 H new ATOM 0 HA ASN A 90 -12.915 6.857 -17.576 1.00 0.00 H new ATOM 0 HB2 ASN A 90 -12.448 8.467 -19.304 1.00 0.00 H new ATOM 0 HB3 ASN A 90 -12.278 6.895 -20.058 1.00 0.00 H new ATOM 0 HD21 ASN A 90 -13.622 6.493 -21.818 1.00 0.00 H new ATOM 0 HD22 ASN A 90 -14.950 7.550 -22.307 1.00 0.00 H new ATOM 1329 N SER A 91 -16.020 7.408 -18.356 1.00 0.00 N ATOM 1330 CA SER A 91 -17.226 8.183 -17.947 1.00 0.00 C ATOM 1331 C SER A 91 -17.494 7.963 -16.457 1.00 0.00 C ATOM 1332 O SER A 91 -17.917 8.859 -15.754 1.00 0.00 O ATOM 1333 CB SER A 91 -18.434 7.710 -18.756 1.00 0.00 C ATOM 1334 OG SER A 91 -19.609 8.329 -18.248 1.00 0.00 O ATOM 0 H SER A 91 -16.202 6.618 -18.975 1.00 0.00 H new ATOM 0 HA SER A 91 -17.056 9.243 -18.133 1.00 0.00 H new ATOM 0 HB2 SER A 91 -18.303 7.961 -19.809 1.00 0.00 H new ATOM 0 HB3 SER A 91 -18.525 6.625 -18.696 1.00 0.00 H new ATOM 0 HG SER A 91 -20.386 8.030 -18.765 1.00 0.00 H new ATOM 1340 N GLN A 92 -17.252 6.777 -15.969 1.00 0.00 N ATOM 1341 CA GLN A 92 -17.495 6.502 -14.525 1.00 0.00 C ATOM 1342 C GLN A 92 -16.591 7.402 -13.679 1.00 0.00 C ATOM 1343 O GLN A 92 -17.041 8.353 -13.071 1.00 0.00 O ATOM 1344 CB GLN A 92 -17.179 5.035 -14.224 1.00 0.00 C ATOM 1345 CG GLN A 92 -18.225 4.140 -14.891 1.00 0.00 C ATOM 1346 CD GLN A 92 -18.499 2.927 -13.999 1.00 0.00 C ATOM 1347 OE1 GLN A 92 -19.576 2.791 -13.455 1.00 0.00 O ATOM 1348 NE2 GLN A 92 -17.562 2.037 -13.825 1.00 0.00 N ATOM 0 H GLN A 92 -16.897 5.987 -16.508 1.00 0.00 H new ATOM 0 HA GLN A 92 -18.539 6.704 -14.286 1.00 0.00 H new ATOM 0 HB2 GLN A 92 -16.184 4.784 -14.590 1.00 0.00 H new ATOM 0 HB3 GLN A 92 -17.174 4.867 -13.147 1.00 0.00 H new ATOM 0 HG2 GLN A 92 -19.146 4.699 -15.056 1.00 0.00 H new ATOM 0 HG3 GLN A 92 -17.870 3.814 -15.869 1.00 0.00 H new ATOM 0 HE21 GLN A 92 -16.658 2.152 -14.283 1.00 0.00 H new ATOM 0 HE22 GLN A 92 -17.733 1.225 -13.231 1.00 0.00 H new ATOM 1357 N ILE A 93 -15.320 7.109 -13.635 1.00 0.00 N ATOM 1358 CA ILE A 93 -14.393 7.951 -12.828 1.00 0.00 C ATOM 1359 C ILE A 93 -14.712 9.427 -13.066 1.00 0.00 C ATOM 1360 O ILE A 93 -14.717 10.227 -12.151 1.00 0.00 O ATOM 1361 CB ILE A 93 -12.950 7.666 -13.249 1.00 0.00 C ATOM 1362 CG1 ILE A 93 -12.741 6.154 -13.361 1.00 0.00 C ATOM 1363 CG2 ILE A 93 -11.992 8.235 -12.200 1.00 0.00 C ATOM 1364 CD1 ILE A 93 -11.252 5.831 -13.218 1.00 0.00 C ATOM 0 H ILE A 93 -14.885 6.325 -14.122 1.00 0.00 H new ATOM 0 HA ILE A 93 -14.515 7.718 -11.770 1.00 0.00 H new ATOM 0 HB ILE A 93 -12.754 8.133 -14.214 1.00 0.00 H new ATOM 0 HG12 ILE A 93 -13.311 5.639 -12.588 1.00 0.00 H new ATOM 0 HG13 ILE A 93 -13.111 5.795 -14.322 1.00 0.00 H new ATOM 0 HG21 ILE A 93 -10.963 8.033 -12.499 1.00 0.00 H new ATOM 0 HG22 ILE A 93 -12.141 9.312 -12.117 1.00 0.00 H new ATOM 0 HG23 ILE A 93 -12.189 7.767 -11.236 1.00 0.00 H new ATOM 0 HD11 ILE A 93 -11.104 4.754 -13.298 1.00 0.00 H new ATOM 0 HD12 ILE A 93 -10.693 6.334 -14.007 1.00 0.00 H new ATOM 0 HD13 ILE A 93 -10.897 6.175 -12.247 1.00 0.00 H new ATOM 1376 N ALA A 94 -14.981 9.795 -14.288 1.00 0.00 N ATOM 1377 CA ALA A 94 -15.303 11.220 -14.582 1.00 0.00 C ATOM 1378 C ALA A 94 -16.443 11.682 -13.673 1.00 0.00 C ATOM 1379 O ALA A 94 -16.468 12.805 -13.212 1.00 0.00 O ATOM 1380 CB ALA A 94 -15.730 11.355 -16.046 1.00 0.00 C ATOM 0 H ALA A 94 -14.992 9.171 -15.095 1.00 0.00 H new ATOM 0 HA ALA A 94 -14.422 11.837 -14.403 1.00 0.00 H new ATOM 0 HB1 ALA A 94 -15.966 12.397 -16.262 1.00 0.00 H new ATOM 0 HB2 ALA A 94 -14.918 11.025 -16.694 1.00 0.00 H new ATOM 0 HB3 ALA A 94 -16.611 10.739 -16.226 1.00 0.00 H new ATOM 1386 N GLU A 95 -17.387 10.820 -13.411 1.00 0.00 N ATOM 1387 CA GLU A 95 -18.528 11.205 -12.532 1.00 0.00 C ATOM 1388 C GLU A 95 -18.068 11.205 -11.073 1.00 0.00 C ATOM 1389 O GLU A 95 -18.458 12.047 -10.289 1.00 0.00 O ATOM 1390 CB GLU A 95 -19.667 10.199 -12.710 1.00 0.00 C ATOM 1391 CG GLU A 95 -20.938 10.745 -12.056 1.00 0.00 C ATOM 1392 CD GLU A 95 -22.062 9.715 -12.185 1.00 0.00 C ATOM 1393 OE1 GLU A 95 -22.479 9.460 -13.303 1.00 0.00 O ATOM 1394 OE2 GLU A 95 -22.487 9.198 -11.165 1.00 0.00 O ATOM 0 H GLU A 95 -17.418 9.865 -13.768 1.00 0.00 H new ATOM 0 HA GLU A 95 -18.878 12.201 -12.802 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -19.841 10.015 -13.770 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -19.396 9.244 -12.261 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -20.752 10.967 -11.005 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -21.231 11.681 -12.532 1.00 0.00 H new ATOM 1401 N GLU A 96 -17.242 10.266 -10.703 1.00 0.00 N ATOM 1402 CA GLU A 96 -16.758 10.211 -9.295 1.00 0.00 C ATOM 1403 C GLU A 96 -16.075 11.532 -8.939 1.00 0.00 C ATOM 1404 O GLU A 96 -16.222 12.043 -7.846 1.00 0.00 O ATOM 1405 CB GLU A 96 -15.759 9.061 -9.143 1.00 0.00 C ATOM 1406 CG GLU A 96 -15.988 8.358 -7.804 1.00 0.00 C ATOM 1407 CD GLU A 96 -16.022 9.396 -6.681 1.00 0.00 C ATOM 1408 OE1 GLU A 96 -14.957 9.813 -6.254 1.00 0.00 O ATOM 1409 OE2 GLU A 96 -17.111 9.755 -6.265 1.00 0.00 O ATOM 0 H GLU A 96 -16.881 9.534 -11.315 1.00 0.00 H new ATOM 0 HA GLU A 96 -17.603 10.048 -8.626 1.00 0.00 H new ATOM 0 HB2 GLU A 96 -15.877 8.352 -9.963 1.00 0.00 H new ATOM 0 HB3 GLU A 96 -14.739 9.442 -9.196 1.00 0.00 H new ATOM 0 HG2 GLU A 96 -16.926 7.803 -7.829 1.00 0.00 H new ATOM 0 HG3 GLU A 96 -15.194 7.634 -7.621 1.00 0.00 H new ATOM 1416 N LEU A 97 -15.329 12.092 -9.852 1.00 0.00 N ATOM 1417 CA LEU A 97 -14.641 13.380 -9.562 1.00 0.00 C ATOM 1418 C LEU A 97 -15.576 14.542 -9.906 1.00 0.00 C ATOM 1419 O LEU A 97 -15.433 15.638 -9.401 1.00 0.00 O ATOM 1420 CB LEU A 97 -13.368 13.481 -10.406 1.00 0.00 C ATOM 1421 CG LEU A 97 -12.190 12.892 -9.627 1.00 0.00 C ATOM 1422 CD1 LEU A 97 -12.414 11.393 -9.420 1.00 0.00 C ATOM 1423 CD2 LEU A 97 -10.894 13.110 -10.415 1.00 0.00 C ATOM 0 H LEU A 97 -15.167 11.713 -10.785 1.00 0.00 H new ATOM 0 HA LEU A 97 -14.378 13.424 -8.505 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -13.499 12.946 -11.347 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -13.167 14.523 -10.657 1.00 0.00 H new ATOM 0 HG LEU A 97 -12.113 13.386 -8.658 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -11.575 10.973 -8.865 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -13.335 11.237 -8.858 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -12.492 10.900 -10.389 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -10.055 12.690 -9.859 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -10.970 12.617 -11.384 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -10.733 14.178 -10.563 1.00 0.00 H new ATOM 1435 N GLU A 98 -16.535 14.310 -10.761 1.00 0.00 N ATOM 1436 CA GLU A 98 -17.481 15.400 -11.136 1.00 0.00 C ATOM 1437 C GLU A 98 -16.690 16.650 -11.527 1.00 0.00 C ATOM 1438 O GLU A 98 -16.681 17.637 -10.818 1.00 0.00 O ATOM 1439 CB GLU A 98 -18.385 15.719 -9.943 1.00 0.00 C ATOM 1440 CG GLU A 98 -19.746 16.206 -10.447 1.00 0.00 C ATOM 1441 CD GLU A 98 -20.477 16.930 -9.316 1.00 0.00 C ATOM 1442 OE1 GLU A 98 -20.189 16.639 -8.167 1.00 0.00 O ATOM 1443 OE2 GLU A 98 -21.315 17.766 -9.618 1.00 0.00 O ATOM 0 H GLU A 98 -16.704 13.413 -11.216 1.00 0.00 H new ATOM 0 HA GLU A 98 -18.091 15.079 -11.980 1.00 0.00 H new ATOM 0 HB2 GLU A 98 -18.512 14.832 -9.322 1.00 0.00 H new ATOM 0 HB3 GLU A 98 -17.923 16.483 -9.317 1.00 0.00 H new ATOM 0 HG2 GLU A 98 -19.613 16.876 -11.296 1.00 0.00 H new ATOM 0 HG3 GLU A 98 -20.340 15.362 -10.797 1.00 0.00 H new ATOM 1450 N LEU A 99 -16.028 16.619 -12.652 1.00 0.00 N ATOM 1451 CA LEU A 99 -15.242 17.807 -13.086 1.00 0.00 C ATOM 1452 C LEU A 99 -15.807 18.338 -14.408 1.00 0.00 C ATOM 1453 O LEU A 99 -16.297 17.587 -15.228 1.00 0.00 O ATOM 1454 CB LEU A 99 -13.777 17.410 -13.281 1.00 0.00 C ATOM 1455 CG LEU A 99 -13.687 16.263 -14.290 1.00 0.00 C ATOM 1456 CD1 LEU A 99 -12.239 16.111 -14.759 1.00 0.00 C ATOM 1457 CD2 LEU A 99 -14.151 14.962 -13.630 1.00 0.00 C ATOM 0 H LEU A 99 -15.998 15.822 -13.288 1.00 0.00 H new ATOM 0 HA LEU A 99 -15.308 18.583 -12.323 1.00 0.00 H new ATOM 0 HB2 LEU A 99 -13.202 18.265 -13.635 1.00 0.00 H new ATOM 0 HB3 LEU A 99 -13.342 17.106 -12.329 1.00 0.00 H new ATOM 0 HG LEU A 99 -14.326 16.481 -15.146 1.00 0.00 H new ATOM 0 HD11 LEU A 99 -12.173 15.294 -15.478 1.00 0.00 H new ATOM 0 HD12 LEU A 99 -11.910 17.037 -15.231 1.00 0.00 H new ATOM 0 HD13 LEU A 99 -11.600 15.893 -13.903 1.00 0.00 H new ATOM 0 HD21 LEU A 99 -14.086 14.146 -14.350 1.00 0.00 H new ATOM 0 HD22 LEU A 99 -13.514 14.742 -12.773 1.00 0.00 H new ATOM 0 HD23 LEU A 99 -15.183 15.071 -13.297 1.00 0.00 H new ATOM 1469 N PRO A 100 -15.735 19.627 -14.610 1.00 0.00 N ATOM 1470 CA PRO A 100 -16.240 20.283 -15.846 1.00 0.00 C ATOM 1471 C PRO A 100 -15.944 19.459 -17.107 1.00 0.00 C ATOM 1472 O PRO A 100 -14.830 19.431 -17.590 1.00 0.00 O ATOM 1473 CB PRO A 100 -15.475 21.604 -15.876 1.00 0.00 C ATOM 1474 CG PRO A 100 -15.198 21.933 -14.444 1.00 0.00 C ATOM 1475 CD PRO A 100 -15.158 20.607 -13.675 1.00 0.00 C ATOM 0 HA PRO A 100 -17.324 20.401 -15.835 1.00 0.00 H new ATOM 0 HB2 PRO A 100 -14.549 21.510 -16.444 1.00 0.00 H new ATOM 0 HB3 PRO A 100 -16.063 22.388 -16.353 1.00 0.00 H new ATOM 0 HG2 PRO A 100 -14.250 22.463 -14.347 1.00 0.00 H new ATOM 0 HG3 PRO A 100 -15.972 22.588 -14.043 1.00 0.00 H new ATOM 0 HD2 PRO A 100 -14.139 20.339 -13.397 1.00 0.00 H new ATOM 0 HD3 PRO A 100 -15.736 20.665 -12.752 1.00 0.00 H new ATOM 1483 N PRO A 101 -16.939 18.792 -17.634 1.00 0.00 N ATOM 1484 CA PRO A 101 -16.791 17.952 -18.857 1.00 0.00 C ATOM 1485 C PRO A 101 -16.089 18.699 -19.997 1.00 0.00 C ATOM 1486 O PRO A 101 -15.646 18.105 -20.959 1.00 0.00 O ATOM 1487 CB PRO A 101 -18.230 17.613 -19.249 1.00 0.00 C ATOM 1488 CG PRO A 101 -19.024 17.730 -17.989 1.00 0.00 C ATOM 1489 CD PRO A 101 -18.317 18.767 -17.117 1.00 0.00 C ATOM 0 HA PRO A 101 -16.174 17.074 -18.667 1.00 0.00 H new ATOM 0 HB2 PRO A 101 -18.601 18.298 -20.012 1.00 0.00 H new ATOM 0 HB3 PRO A 101 -18.297 16.607 -19.664 1.00 0.00 H new ATOM 0 HG2 PRO A 101 -20.047 18.038 -18.204 1.00 0.00 H new ATOM 0 HG3 PRO A 101 -19.081 16.769 -17.478 1.00 0.00 H new ATOM 0 HD2 PRO A 101 -18.791 19.745 -17.198 1.00 0.00 H new ATOM 0 HD3 PRO A 101 -18.343 18.486 -16.064 1.00 0.00 H new ATOM 1497 N VAL A 102 -15.983 19.997 -19.897 1.00 0.00 N ATOM 1498 CA VAL A 102 -15.306 20.770 -20.977 1.00 0.00 C ATOM 1499 C VAL A 102 -13.843 20.333 -21.071 1.00 0.00 C ATOM 1500 O VAL A 102 -13.039 20.956 -21.737 1.00 0.00 O ATOM 1501 CB VAL A 102 -15.377 22.265 -20.658 1.00 0.00 C ATOM 1502 CG1 VAL A 102 -16.801 22.771 -20.895 1.00 0.00 C ATOM 1503 CG2 VAL A 102 -14.992 22.493 -19.195 1.00 0.00 C ATOM 0 H VAL A 102 -16.334 20.553 -19.117 1.00 0.00 H new ATOM 0 HA VAL A 102 -15.804 20.581 -21.928 1.00 0.00 H new ATOM 0 HB VAL A 102 -14.687 22.807 -21.305 1.00 0.00 H new ATOM 0 HG11 VAL A 102 -16.851 23.836 -20.668 1.00 0.00 H new ATOM 0 HG12 VAL A 102 -17.076 22.609 -21.937 1.00 0.00 H new ATOM 0 HG13 VAL A 102 -17.492 22.229 -20.249 1.00 0.00 H new ATOM 0 HG21 VAL A 102 -15.042 23.558 -18.967 1.00 0.00 H new ATOM 0 HG22 VAL A 102 -15.682 21.951 -18.548 1.00 0.00 H new ATOM 0 HG23 VAL A 102 -13.977 22.133 -19.026 1.00 0.00 H new ATOM 1513 N LYS A 103 -13.495 19.264 -20.411 1.00 0.00 N ATOM 1514 CA LYS A 103 -12.088 18.776 -20.456 1.00 0.00 C ATOM 1515 C LYS A 103 -12.036 17.350 -19.904 1.00 0.00 C ATOM 1516 O LYS A 103 -11.427 17.090 -18.886 1.00 0.00 O ATOM 1517 CB LYS A 103 -11.202 19.687 -19.602 1.00 0.00 C ATOM 1518 CG LYS A 103 -9.732 19.435 -19.940 1.00 0.00 C ATOM 1519 CD LYS A 103 -8.861 20.485 -19.246 1.00 0.00 C ATOM 1520 CE LYS A 103 -8.159 19.852 -18.045 1.00 0.00 C ATOM 1521 NZ LYS A 103 -7.284 18.739 -18.511 1.00 0.00 N ATOM 0 H LYS A 103 -14.128 18.704 -19.839 1.00 0.00 H new ATOM 0 HA LYS A 103 -11.728 18.786 -21.485 1.00 0.00 H new ATOM 0 HB2 LYS A 103 -11.454 20.732 -19.785 1.00 0.00 H new ATOM 0 HB3 LYS A 103 -11.380 19.497 -18.544 1.00 0.00 H new ATOM 0 HG2 LYS A 103 -9.440 18.435 -19.619 1.00 0.00 H new ATOM 0 HG3 LYS A 103 -9.583 19.479 -21.019 1.00 0.00 H new ATOM 0 HD2 LYS A 103 -8.124 20.881 -19.945 1.00 0.00 H new ATOM 0 HD3 LYS A 103 -9.475 21.325 -18.921 1.00 0.00 H new ATOM 0 HE2 LYS A 103 -7.565 20.601 -17.521 1.00 0.00 H new ATOM 0 HE3 LYS A 103 -8.896 19.477 -17.335 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 -6.406 18.732 -17.954 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 -7.780 17.833 -18.388 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 -7.055 18.875 -19.516 1.00 0.00 H new ATOM 1535 N VAL A 104 -12.677 16.426 -20.565 1.00 0.00 N ATOM 1536 CA VAL A 104 -12.673 15.018 -20.075 1.00 0.00 C ATOM 1537 C VAL A 104 -11.441 14.286 -20.611 1.00 0.00 C ATOM 1538 O VAL A 104 -11.507 13.130 -20.981 1.00 0.00 O ATOM 1539 CB VAL A 104 -13.937 14.309 -20.563 1.00 0.00 C ATOM 1540 CG1 VAL A 104 -13.945 12.867 -20.051 1.00 0.00 C ATOM 1541 CG2 VAL A 104 -15.169 15.045 -20.030 1.00 0.00 C ATOM 0 H VAL A 104 -13.204 16.585 -21.424 1.00 0.00 H new ATOM 0 HA VAL A 104 -12.647 15.015 -18.985 1.00 0.00 H new ATOM 0 HB VAL A 104 -13.955 14.307 -21.653 1.00 0.00 H new ATOM 0 HG11 VAL A 104 -14.846 12.362 -20.399 1.00 0.00 H new ATOM 0 HG12 VAL A 104 -13.067 12.342 -20.427 1.00 0.00 H new ATOM 0 HG13 VAL A 104 -13.928 12.868 -18.961 1.00 0.00 H new ATOM 0 HG21 VAL A 104 -16.072 14.542 -20.376 1.00 0.00 H new ATOM 0 HG22 VAL A 104 -15.149 15.046 -18.940 1.00 0.00 H new ATOM 0 HG23 VAL A 104 -15.164 16.073 -20.393 1.00 0.00 H new ATOM 1551 N HIS A 105 -10.317 14.945 -20.651 1.00 0.00 N ATOM 1552 CA HIS A 105 -9.083 14.279 -21.158 1.00 0.00 C ATOM 1553 C HIS A 105 -8.429 13.498 -20.017 1.00 0.00 C ATOM 1554 O HIS A 105 -7.702 12.549 -20.237 1.00 0.00 O ATOM 1555 CB HIS A 105 -8.107 15.336 -21.681 1.00 0.00 C ATOM 1556 CG HIS A 105 -8.183 15.388 -23.181 1.00 0.00 C ATOM 1557 ND1 HIS A 105 -7.799 14.320 -23.982 1.00 0.00 N ATOM 1558 CD2 HIS A 105 -8.598 16.373 -24.045 1.00 0.00 C ATOM 1559 CE1 HIS A 105 -7.988 14.685 -25.264 1.00 0.00 C ATOM 1560 NE2 HIS A 105 -8.473 15.925 -25.354 1.00 0.00 N ATOM 0 H HIS A 105 -10.198 15.914 -20.355 1.00 0.00 H new ATOM 0 HA HIS A 105 -9.342 13.597 -21.968 1.00 0.00 H new ATOM 0 HB2 HIS A 105 -8.350 16.311 -21.260 1.00 0.00 H new ATOM 0 HB3 HIS A 105 -7.091 15.097 -21.366 1.00 0.00 H new ATOM 0 HD2 HIS A 105 -8.965 17.345 -23.751 1.00 0.00 H new ATOM 0 HE1 HIS A 105 -7.774 14.053 -26.113 1.00 0.00 H new ATOM 0 HE2 HIS A 105 -8.704 16.437 -26.206 1.00 0.00 H new ATOM 1568 N CYS A 106 -8.684 13.888 -18.798 1.00 0.00 N ATOM 1569 CA CYS A 106 -8.081 13.170 -17.641 1.00 0.00 C ATOM 1570 C CYS A 106 -8.750 11.803 -17.486 1.00 0.00 C ATOM 1571 O CYS A 106 -8.093 10.782 -17.431 1.00 0.00 O ATOM 1572 CB CYS A 106 -8.295 13.987 -16.365 1.00 0.00 C ATOM 1573 SG CYS A 106 -6.902 15.120 -16.133 1.00 0.00 S ATOM 0 H CYS A 106 -9.285 14.675 -18.554 1.00 0.00 H new ATOM 0 HA CYS A 106 -7.013 13.037 -17.813 1.00 0.00 H new ATOM 0 HB2 CYS A 106 -9.227 14.548 -16.432 1.00 0.00 H new ATOM 0 HB3 CYS A 106 -8.384 13.322 -15.506 1.00 0.00 H new ATOM 0 HG CYS A 106 -7.084 15.816 -15.050 1.00 0.00 H new ATOM 1579 N SER A 107 -10.053 11.775 -17.416 1.00 0.00 N ATOM 1580 CA SER A 107 -10.763 10.473 -17.264 1.00 0.00 C ATOM 1581 C SER A 107 -10.379 9.544 -18.416 1.00 0.00 C ATOM 1582 O SER A 107 -9.974 8.418 -18.211 1.00 0.00 O ATOM 1583 CB SER A 107 -12.272 10.711 -17.284 1.00 0.00 C ATOM 1584 OG SER A 107 -12.554 11.991 -16.736 1.00 0.00 O ATOM 0 H SER A 107 -10.656 12.597 -17.457 1.00 0.00 H new ATOM 0 HA SER A 107 -10.479 10.013 -16.317 1.00 0.00 H new ATOM 0 HB2 SER A 107 -12.648 10.649 -18.305 1.00 0.00 H new ATOM 0 HB3 SER A 107 -12.781 9.937 -16.710 1.00 0.00 H new ATOM 0 HG SER A 107 -12.691 11.910 -15.769 1.00 0.00 H new ATOM 1590 N ILE A 108 -10.506 10.007 -19.630 1.00 0.00 N ATOM 1591 CA ILE A 108 -10.152 9.152 -20.796 1.00 0.00 C ATOM 1592 C ILE A 108 -8.696 8.698 -20.674 1.00 0.00 C ATOM 1593 O ILE A 108 -8.352 7.586 -21.024 1.00 0.00 O ATOM 1594 CB ILE A 108 -10.336 9.952 -22.086 1.00 0.00 C ATOM 1595 CG1 ILE A 108 -11.830 10.191 -22.324 1.00 0.00 C ATOM 1596 CG2 ILE A 108 -9.752 9.170 -23.263 1.00 0.00 C ATOM 1597 CD1 ILE A 108 -12.014 11.174 -23.481 1.00 0.00 C ATOM 0 H ILE A 108 -10.840 10.942 -19.864 1.00 0.00 H new ATOM 0 HA ILE A 108 -10.801 8.276 -20.817 1.00 0.00 H new ATOM 0 HB ILE A 108 -9.821 10.908 -21.997 1.00 0.00 H new ATOM 0 HG12 ILE A 108 -12.328 9.248 -22.552 1.00 0.00 H new ATOM 0 HG13 ILE A 108 -12.294 10.586 -21.420 1.00 0.00 H new ATOM 0 HG21 ILE A 108 -9.884 9.742 -24.181 1.00 0.00 H new ATOM 0 HG22 ILE A 108 -8.689 8.997 -23.093 1.00 0.00 H new ATOM 0 HG23 ILE A 108 -10.266 8.213 -23.355 1.00 0.00 H new ATOM 0 HD11 ILE A 108 -13.078 11.343 -23.649 1.00 0.00 H new ATOM 0 HD12 ILE A 108 -11.531 12.120 -23.235 1.00 0.00 H new ATOM 0 HD13 ILE A 108 -11.565 10.761 -24.384 1.00 0.00 H new ATOM 1609 N LEU A 109 -7.839 9.546 -20.178 1.00 0.00 N ATOM 1610 CA LEU A 109 -6.408 9.158 -20.032 1.00 0.00 C ATOM 1611 C LEU A 109 -6.291 8.023 -19.014 1.00 0.00 C ATOM 1612 O LEU A 109 -5.521 7.098 -19.185 1.00 0.00 O ATOM 1613 CB LEU A 109 -5.598 10.363 -19.545 1.00 0.00 C ATOM 1614 CG LEU A 109 -4.798 10.946 -20.711 1.00 0.00 C ATOM 1615 CD1 LEU A 109 -5.760 11.451 -21.787 1.00 0.00 C ATOM 1616 CD2 LEU A 109 -3.939 12.108 -20.208 1.00 0.00 C ATOM 0 H LEU A 109 -8.067 10.490 -19.868 1.00 0.00 H new ATOM 0 HA LEU A 109 -6.022 8.826 -20.996 1.00 0.00 H new ATOM 0 HB2 LEU A 109 -6.265 11.120 -19.133 1.00 0.00 H new ATOM 0 HB3 LEU A 109 -4.924 10.061 -18.743 1.00 0.00 H new ATOM 0 HG LEU A 109 -4.154 10.174 -21.133 1.00 0.00 H new ATOM 0 HD11 LEU A 109 -5.190 11.867 -22.618 1.00 0.00 H new ATOM 0 HD12 LEU A 109 -6.373 10.623 -22.145 1.00 0.00 H new ATOM 0 HD13 LEU A 109 -6.404 12.223 -21.366 1.00 0.00 H new ATOM 0 HD21 LEU A 109 -3.368 12.524 -21.038 1.00 0.00 H new ATOM 0 HD22 LEU A 109 -4.582 12.880 -19.786 1.00 0.00 H new ATOM 0 HD23 LEU A 109 -3.253 11.748 -19.441 1.00 0.00 H new ATOM 1628 N ALA A 110 -7.053 8.084 -17.956 1.00 0.00 N ATOM 1629 CA ALA A 110 -6.989 7.008 -16.927 1.00 0.00 C ATOM 1630 C ALA A 110 -7.451 5.686 -17.545 1.00 0.00 C ATOM 1631 O ALA A 110 -6.850 4.651 -17.340 1.00 0.00 O ATOM 1632 CB ALA A 110 -7.903 7.371 -15.755 1.00 0.00 C ATOM 0 H ALA A 110 -7.717 8.833 -17.760 1.00 0.00 H new ATOM 0 HA ALA A 110 -5.964 6.904 -16.570 1.00 0.00 H new ATOM 0 HB1 ALA A 110 -7.858 6.585 -15.001 1.00 0.00 H new ATOM 0 HB2 ALA A 110 -7.575 8.314 -15.317 1.00 0.00 H new ATOM 0 HB3 ALA A 110 -8.928 7.473 -16.111 1.00 0.00 H new ATOM 1638 N GLU A 111 -8.514 5.714 -18.300 1.00 0.00 N ATOM 1639 CA GLU A 111 -9.013 4.459 -18.930 1.00 0.00 C ATOM 1640 C GLU A 111 -8.003 3.971 -19.969 1.00 0.00 C ATOM 1641 O GLU A 111 -7.457 2.891 -19.859 1.00 0.00 O ATOM 1642 CB GLU A 111 -10.355 4.731 -19.615 1.00 0.00 C ATOM 1643 CG GLU A 111 -10.835 3.458 -20.315 1.00 0.00 C ATOM 1644 CD GLU A 111 -10.880 2.309 -19.307 1.00 0.00 C ATOM 1645 OE1 GLU A 111 -11.640 2.408 -18.358 1.00 0.00 O ATOM 1646 OE2 GLU A 111 -10.155 1.347 -19.502 1.00 0.00 O ATOM 0 H GLU A 111 -9.059 6.551 -18.508 1.00 0.00 H new ATOM 0 HA GLU A 111 -9.143 3.696 -18.163 1.00 0.00 H new ATOM 0 HB2 GLU A 111 -11.092 5.055 -18.880 1.00 0.00 H new ATOM 0 HB3 GLU A 111 -10.249 5.539 -20.338 1.00 0.00 H new ATOM 0 HG2 GLU A 111 -11.824 3.617 -20.745 1.00 0.00 H new ATOM 0 HG3 GLU A 111 -10.166 3.208 -21.138 1.00 0.00 H new ATOM 1653 N ASP A 112 -7.750 4.758 -20.979 1.00 0.00 N ATOM 1654 CA ASP A 112 -6.775 4.340 -22.026 1.00 0.00 C ATOM 1655 C ASP A 112 -5.485 3.855 -21.360 1.00 0.00 C ATOM 1656 O ASP A 112 -4.717 3.113 -21.940 1.00 0.00 O ATOM 1657 CB ASP A 112 -6.463 5.530 -22.936 1.00 0.00 C ATOM 1658 CG ASP A 112 -5.787 5.034 -24.215 1.00 0.00 C ATOM 1659 OD1 ASP A 112 -5.778 3.834 -24.429 1.00 0.00 O ATOM 1660 OD2 ASP A 112 -5.290 5.864 -24.959 1.00 0.00 O ATOM 0 H ASP A 112 -8.177 5.673 -21.124 1.00 0.00 H new ATOM 0 HA ASP A 112 -7.203 3.531 -22.618 1.00 0.00 H new ATOM 0 HB2 ASP A 112 -7.381 6.064 -23.181 1.00 0.00 H new ATOM 0 HB3 ASP A 112 -5.813 6.236 -22.419 1.00 0.00 H new ATOM 1665 N ALA A 113 -5.240 4.271 -20.148 1.00 0.00 N ATOM 1666 CA ALA A 113 -3.999 3.837 -19.447 1.00 0.00 C ATOM 1667 C ALA A 113 -4.137 2.378 -19.007 1.00 0.00 C ATOM 1668 O ALA A 113 -3.276 1.559 -19.260 1.00 0.00 O ATOM 1669 CB ALA A 113 -3.774 4.720 -18.218 1.00 0.00 C ATOM 0 H ALA A 113 -5.846 4.893 -19.613 1.00 0.00 H new ATOM 0 HA ALA A 113 -3.151 3.930 -20.125 1.00 0.00 H new ATOM 0 HB1 ALA A 113 -2.866 4.404 -17.704 1.00 0.00 H new ATOM 0 HB2 ALA A 113 -3.671 5.759 -18.531 1.00 0.00 H new ATOM 0 HB3 ALA A 113 -4.625 4.627 -17.543 1.00 0.00 H new ATOM 1675 N ILE A 114 -5.211 2.045 -18.344 1.00 0.00 N ATOM 1676 CA ILE A 114 -5.399 0.640 -17.884 1.00 0.00 C ATOM 1677 C ILE A 114 -5.322 -0.307 -19.084 1.00 0.00 C ATOM 1678 O ILE A 114 -4.723 -1.362 -19.017 1.00 0.00 O ATOM 1679 CB ILE A 114 -6.763 0.505 -17.197 1.00 0.00 C ATOM 1680 CG1 ILE A 114 -6.670 -0.544 -16.086 1.00 0.00 C ATOM 1681 CG2 ILE A 114 -7.823 0.075 -18.215 1.00 0.00 C ATOM 1682 CD1 ILE A 114 -6.088 0.100 -14.826 1.00 0.00 C ATOM 0 H ILE A 114 -5.967 2.686 -18.101 1.00 0.00 H new ATOM 0 HA ILE A 114 -4.614 0.380 -17.174 1.00 0.00 H new ATOM 0 HB ILE A 114 -7.046 1.468 -16.772 1.00 0.00 H new ATOM 0 HG12 ILE A 114 -7.657 -0.955 -15.875 1.00 0.00 H new ATOM 0 HG13 ILE A 114 -6.041 -1.375 -16.407 1.00 0.00 H new ATOM 0 HG21 ILE A 114 -8.788 -0.018 -17.718 1.00 0.00 H new ATOM 0 HG22 ILE A 114 -7.893 0.822 -19.005 1.00 0.00 H new ATOM 0 HG23 ILE A 114 -7.543 -0.886 -18.648 1.00 0.00 H new ATOM 0 HD11 ILE A 114 -6.021 -0.646 -14.034 1.00 0.00 H new ATOM 0 HD12 ILE A 114 -5.093 0.489 -15.043 1.00 0.00 H new ATOM 0 HD13 ILE A 114 -6.734 0.916 -14.503 1.00 0.00 H new ATOM 1694 N LYS A 115 -5.922 0.060 -20.183 1.00 0.00 N ATOM 1695 CA LYS A 115 -5.881 -0.820 -21.384 1.00 0.00 C ATOM 1696 C LYS A 115 -4.432 -0.975 -21.850 1.00 0.00 C ATOM 1697 O LYS A 115 -3.952 -2.073 -22.062 1.00 0.00 O ATOM 1698 CB LYS A 115 -6.716 -0.194 -22.504 1.00 0.00 C ATOM 1699 CG LYS A 115 -8.063 -0.916 -22.607 1.00 0.00 C ATOM 1700 CD LYS A 115 -9.129 0.061 -23.106 1.00 0.00 C ATOM 1701 CE LYS A 115 -8.787 0.507 -24.528 1.00 0.00 C ATOM 1702 NZ LYS A 115 -8.795 -0.676 -25.434 1.00 0.00 N ATOM 0 H LYS A 115 -6.439 0.931 -20.301 1.00 0.00 H new ATOM 0 HA LYS A 115 -6.289 -1.799 -21.133 1.00 0.00 H new ATOM 0 HB2 LYS A 115 -6.875 0.866 -22.304 1.00 0.00 H new ATOM 0 HB3 LYS A 115 -6.182 -0.263 -23.452 1.00 0.00 H new ATOM 0 HG2 LYS A 115 -7.983 -1.763 -23.289 1.00 0.00 H new ATOM 0 HG3 LYS A 115 -8.348 -1.316 -21.634 1.00 0.00 H new ATOM 0 HD2 LYS A 115 -10.110 -0.414 -23.089 1.00 0.00 H new ATOM 0 HD3 LYS A 115 -9.182 0.926 -22.445 1.00 0.00 H new ATOM 0 HE2 LYS A 115 -9.509 1.247 -24.872 1.00 0.00 H new ATOM 0 HE3 LYS A 115 -7.808 0.985 -24.545 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 -9.304 -0.439 -26.309 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 -7.817 -0.944 -25.664 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 -9.270 -1.472 -24.962 1.00 0.00 H new ATOM 1716 N ALA A 116 -3.728 0.111 -22.008 1.00 0.00 N ATOM 1717 CA ALA A 116 -2.309 0.018 -22.454 1.00 0.00 C ATOM 1718 C ALA A 116 -1.569 -0.987 -21.570 1.00 0.00 C ATOM 1719 O ALA A 116 -0.710 -1.715 -22.024 1.00 0.00 O ATOM 1720 CB ALA A 116 -1.643 1.391 -22.333 1.00 0.00 C ATOM 0 H ALA A 116 -4.073 1.058 -21.848 1.00 0.00 H new ATOM 0 HA ALA A 116 -2.273 -0.310 -23.493 1.00 0.00 H new ATOM 0 HB1 ALA A 116 -0.605 1.322 -22.659 1.00 0.00 H new ATOM 0 HB2 ALA A 116 -2.173 2.109 -22.959 1.00 0.00 H new ATOM 0 HB3 ALA A 116 -1.676 1.721 -21.295 1.00 0.00 H new ATOM 1726 N ALA A 117 -1.901 -1.032 -20.308 1.00 0.00 N ATOM 1727 CA ALA A 117 -1.221 -1.991 -19.392 1.00 0.00 C ATOM 1728 C ALA A 117 -1.504 -3.422 -19.854 1.00 0.00 C ATOM 1729 O ALA A 117 -0.605 -4.160 -20.207 1.00 0.00 O ATOM 1730 CB ALA A 117 -1.752 -1.800 -17.971 1.00 0.00 C ATOM 0 H ALA A 117 -2.613 -0.446 -19.872 1.00 0.00 H new ATOM 0 HA ALA A 117 -0.146 -1.810 -19.406 1.00 0.00 H new ATOM 0 HB1 ALA A 117 -1.256 -2.501 -17.300 1.00 0.00 H new ATOM 0 HB2 ALA A 117 -1.553 -0.780 -17.642 1.00 0.00 H new ATOM 0 HB3 ALA A 117 -2.826 -1.983 -17.956 1.00 0.00 H new ATOM 1736 N ILE A 118 -2.747 -3.819 -19.855 1.00 0.00 N ATOM 1737 CA ILE A 118 -3.087 -5.201 -20.294 1.00 0.00 C ATOM 1738 C ILE A 118 -2.467 -5.465 -21.668 1.00 0.00 C ATOM 1739 O ILE A 118 -1.991 -6.548 -21.947 1.00 0.00 O ATOM 1740 CB ILE A 118 -4.606 -5.350 -20.383 1.00 0.00 C ATOM 1741 CG1 ILE A 118 -5.188 -5.487 -18.972 1.00 0.00 C ATOM 1742 CG2 ILE A 118 -4.950 -6.598 -21.198 1.00 0.00 C ATOM 1743 CD1 ILE A 118 -6.324 -4.477 -18.788 1.00 0.00 C ATOM 0 H ILE A 118 -3.541 -3.246 -19.571 1.00 0.00 H new ATOM 0 HA ILE A 118 -2.694 -5.918 -19.573 1.00 0.00 H new ATOM 0 HB ILE A 118 -5.029 -4.471 -20.869 1.00 0.00 H new ATOM 0 HG12 ILE A 118 -5.559 -6.500 -18.817 1.00 0.00 H new ATOM 0 HG13 ILE A 118 -4.410 -5.315 -18.228 1.00 0.00 H new ATOM 0 HG21 ILE A 118 -6.033 -6.704 -21.261 1.00 0.00 H new ATOM 0 HG22 ILE A 118 -4.535 -6.503 -22.202 1.00 0.00 H new ATOM 0 HG23 ILE A 118 -4.527 -7.478 -20.713 1.00 0.00 H new ATOM 0 HD11 ILE A 118 -6.738 -4.574 -17.784 1.00 0.00 H new ATOM 0 HD12 ILE A 118 -5.938 -3.467 -18.925 1.00 0.00 H new ATOM 0 HD13 ILE A 118 -7.105 -4.670 -19.523 1.00 0.00 H new ATOM 1755 N ALA A 119 -2.468 -4.484 -22.528 1.00 0.00 N ATOM 1756 CA ALA A 119 -1.879 -4.680 -23.883 1.00 0.00 C ATOM 1757 C ALA A 119 -0.439 -5.177 -23.744 1.00 0.00 C ATOM 1758 O ALA A 119 -0.126 -6.301 -24.082 1.00 0.00 O ATOM 1759 CB ALA A 119 -1.889 -3.352 -24.643 1.00 0.00 C ATOM 0 H ALA A 119 -2.851 -3.555 -22.351 1.00 0.00 H new ATOM 0 HA ALA A 119 -2.467 -5.415 -24.432 1.00 0.00 H new ATOM 0 HB1 ALA A 119 -1.458 -3.497 -25.634 1.00 0.00 H new ATOM 0 HB2 ALA A 119 -2.915 -2.997 -24.742 1.00 0.00 H new ATOM 0 HB3 ALA A 119 -1.301 -2.615 -24.096 1.00 0.00 H new ATOM 1765 N ASP A 120 0.439 -4.350 -23.245 1.00 0.00 N ATOM 1766 CA ASP A 120 1.856 -4.781 -23.084 1.00 0.00 C ATOM 1767 C ASP A 120 1.892 -6.168 -22.440 1.00 0.00 C ATOM 1768 O ASP A 120 2.575 -7.060 -22.901 1.00 0.00 O ATOM 1769 CB ASP A 120 2.595 -3.780 -22.191 1.00 0.00 C ATOM 1770 CG ASP A 120 3.691 -3.082 -23.001 1.00 0.00 C ATOM 1771 OD1 ASP A 120 3.417 -2.704 -24.128 1.00 0.00 O ATOM 1772 OD2 ASP A 120 4.785 -2.940 -22.479 1.00 0.00 O ATOM 0 H ASP A 120 0.237 -3.397 -22.943 1.00 0.00 H new ATOM 0 HA ASP A 120 2.341 -4.820 -24.060 1.00 0.00 H new ATOM 0 HB2 ASP A 120 1.895 -3.043 -21.796 1.00 0.00 H new ATOM 0 HB3 ASP A 120 3.033 -4.294 -21.335 1.00 0.00 H new ATOM 1777 N TYR A 121 1.159 -6.356 -21.376 1.00 0.00 N ATOM 1778 CA TYR A 121 1.148 -7.686 -20.702 1.00 0.00 C ATOM 1779 C TYR A 121 0.908 -8.783 -21.743 1.00 0.00 C ATOM 1780 O TYR A 121 1.569 -9.802 -21.748 1.00 0.00 O ATOM 1781 CB TYR A 121 0.027 -7.717 -19.661 1.00 0.00 C ATOM 1782 CG TYR A 121 -0.266 -9.147 -19.274 1.00 0.00 C ATOM 1783 CD1 TYR A 121 -1.026 -9.961 -20.123 1.00 0.00 C ATOM 1784 CD2 TYR A 121 0.220 -9.659 -18.066 1.00 0.00 C ATOM 1785 CE1 TYR A 121 -1.297 -11.288 -19.764 1.00 0.00 C ATOM 1786 CE2 TYR A 121 -0.050 -10.985 -17.707 1.00 0.00 C ATOM 1787 CZ TYR A 121 -0.809 -11.798 -18.556 1.00 0.00 C ATOM 1788 OH TYR A 121 -1.077 -13.106 -18.202 1.00 0.00 O ATOM 0 H TYR A 121 0.567 -5.646 -20.944 1.00 0.00 H new ATOM 0 HA TYR A 121 2.107 -7.855 -20.211 1.00 0.00 H new ATOM 0 HB2 TYR A 121 0.319 -7.144 -18.781 1.00 0.00 H new ATOM 0 HB3 TYR A 121 -0.870 -7.248 -20.064 1.00 0.00 H new ATOM 0 HD1 TYR A 121 -1.403 -9.566 -21.055 1.00 0.00 H new ATOM 0 HD2 TYR A 121 0.804 -9.031 -17.410 1.00 0.00 H new ATOM 0 HE1 TYR A 121 -1.882 -11.917 -20.419 1.00 0.00 H new ATOM 0 HE2 TYR A 121 0.327 -11.380 -16.775 1.00 0.00 H new ATOM 0 HH TYR A 121 -0.665 -13.301 -17.335 1.00 0.00 H new ATOM 1798 N LYS A 122 -0.035 -8.582 -22.621 1.00 0.00 N ATOM 1799 CA LYS A 122 -0.321 -9.612 -23.661 1.00 0.00 C ATOM 1800 C LYS A 122 0.878 -9.736 -24.604 1.00 0.00 C ATOM 1801 O LYS A 122 1.415 -10.806 -24.803 1.00 0.00 O ATOM 1802 CB LYS A 122 -1.556 -9.195 -24.461 1.00 0.00 C ATOM 1803 CG LYS A 122 -1.890 -10.279 -25.488 1.00 0.00 C ATOM 1804 CD LYS A 122 -3.384 -10.233 -25.812 1.00 0.00 C ATOM 1805 CE LYS A 122 -4.159 -11.018 -24.752 1.00 0.00 C ATOM 1806 NZ LYS A 122 -5.326 -10.212 -24.290 1.00 0.00 N ATOM 0 H LYS A 122 -0.621 -7.748 -22.664 1.00 0.00 H new ATOM 0 HA LYS A 122 -0.504 -10.573 -23.180 1.00 0.00 H new ATOM 0 HB2 LYS A 122 -2.402 -9.042 -23.791 1.00 0.00 H new ATOM 0 HB3 LYS A 122 -1.372 -8.246 -24.965 1.00 0.00 H new ATOM 0 HG2 LYS A 122 -1.306 -10.127 -26.395 1.00 0.00 H new ATOM 0 HG3 LYS A 122 -1.622 -11.260 -25.097 1.00 0.00 H new ATOM 0 HD2 LYS A 122 -3.730 -9.200 -25.840 1.00 0.00 H new ATOM 0 HD3 LYS A 122 -3.566 -10.657 -26.800 1.00 0.00 H new ATOM 0 HE2 LYS A 122 -4.500 -11.968 -25.164 1.00 0.00 H new ATOM 0 HE3 LYS A 122 -3.508 -11.252 -23.909 1.00 0.00 H new ATOM 0 HZ1 LYS A 122 -5.853 -10.746 -23.569 1.00 0.00 H new ATOM 0 HZ2 LYS A 122 -4.990 -9.317 -23.881 1.00 0.00 H new ATOM 0 HZ3 LYS A 122 -5.950 -10.011 -25.097 1.00 0.00 H new ATOM 1820 N ALA A 123 1.299 -8.648 -25.189 1.00 0.00 N ATOM 1821 CA ALA A 123 2.460 -8.707 -26.122 1.00 0.00 C ATOM 1822 C ALA A 123 3.593 -9.515 -25.485 1.00 0.00 C ATOM 1823 O ALA A 123 4.187 -10.370 -26.113 1.00 0.00 O ATOM 1824 CB ALA A 123 2.948 -7.287 -26.414 1.00 0.00 C ATOM 0 H ALA A 123 0.890 -7.722 -25.062 1.00 0.00 H new ATOM 0 HA ALA A 123 2.154 -9.187 -27.051 1.00 0.00 H new ATOM 0 HB1 ALA A 123 3.797 -7.327 -27.096 1.00 0.00 H new ATOM 0 HB2 ALA A 123 2.142 -6.712 -26.871 1.00 0.00 H new ATOM 0 HB3 ALA A 123 3.253 -6.808 -25.483 1.00 0.00 H new ATOM 1830 N LYS A 124 3.902 -9.252 -24.245 1.00 0.00 N ATOM 1831 CA LYS A 124 5.001 -10.004 -23.576 1.00 0.00 C ATOM 1832 C LYS A 124 4.500 -11.387 -23.157 1.00 0.00 C ATOM 1833 O LYS A 124 4.766 -11.850 -22.065 1.00 0.00 O ATOM 1834 CB LYS A 124 5.468 -9.234 -22.338 1.00 0.00 C ATOM 1835 CG LYS A 124 5.878 -7.816 -22.744 1.00 0.00 C ATOM 1836 CD LYS A 124 6.195 -6.998 -21.493 1.00 0.00 C ATOM 1837 CE LYS A 124 6.222 -5.510 -21.849 1.00 0.00 C ATOM 1838 NZ LYS A 124 6.829 -4.742 -20.726 1.00 0.00 N ATOM 0 H LYS A 124 3.441 -8.549 -23.666 1.00 0.00 H new ATOM 0 HA LYS A 124 5.834 -10.117 -24.270 1.00 0.00 H new ATOM 0 HB2 LYS A 124 4.669 -9.195 -21.598 1.00 0.00 H new ATOM 0 HB3 LYS A 124 6.309 -9.748 -21.873 1.00 0.00 H new ATOM 0 HG2 LYS A 124 6.749 -7.851 -23.398 1.00 0.00 H new ATOM 0 HG3 LYS A 124 5.075 -7.341 -23.308 1.00 0.00 H new ATOM 0 HD2 LYS A 124 5.446 -7.185 -20.724 1.00 0.00 H new ATOM 0 HD3 LYS A 124 7.157 -7.302 -21.081 1.00 0.00 H new ATOM 0 HE2 LYS A 124 6.796 -5.354 -22.762 1.00 0.00 H new ATOM 0 HE3 LYS A 124 5.211 -5.153 -22.043 1.00 0.00 H new ATOM 0 HZ1 LYS A 124 6.848 -3.731 -20.967 1.00 0.00 H new ATOM 0 HZ2 LYS A 124 6.264 -4.882 -19.864 1.00 0.00 H new ATOM 0 HZ3 LYS A 124 7.800 -5.077 -20.561 1.00 0.00 H new