USER MOD reduce.3.24.130724 H: found=0, std=0, add=691, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 690 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 40 TYR OH : rot 150:sc= 0 USER MOD Set 1.2: A 74 THR OG1 : rot 180:sc= 0 USER MOD Set 1.3: A 92 ASN : amide:sc= 0 X(o=0,f=0.35) USER MOD Set 2.1: A 33 ASN : amide:sc= 1.16 K(o=1.2,f=-0.37) USER MOD Set 2.2: A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 0 MET CE :methyl -140:sc= -0.159 (180deg=-0.709) USER MOD Single : A 0 MET N :NH3+ 138:sc= 0.0133 (180deg=0) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 THR OG1 : rot -172:sc= 1.27 USER MOD Single : A 11 GLN : amide:sc= 0 K(o=0,f=-0.5) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 GLN : amide:sc= -0.516 K(o=-0.52,f=-1.6) USER MOD Single : A 21 THR OG1 : rot 136:sc= 0.432 USER MOD Single : A 24 MET CE :methyl 174:sc= -0.732 (180deg=-0.762) USER MOD Single : A 25 CYS SG : rot -0:sc= -2.09! USER MOD Single : A 42 MET CE :methyl -145:sc= -0.115 (180deg=-0.562) USER MOD Single : A 48 THR OG1 : rot 67:sc= 1.5 USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 SER OG : rot -73:sc= 1.48 USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 SER OG : rot 180:sc= 0.0255 USER MOD Single : A 73 GLN : amide:sc= -0.183 K(o=-0.18,f=-0.72) USER MOD Single : A 75 THR OG1 : rot 180:sc= 0 USER MOD Single : A 78 TYR OH : rot 180:sc= 0 USER MOD Single : A 85 GLN : amide:sc= 0 K(o=0,f=-0.92) USER MOD Single : A 87 HIS : no HD1:sc= -0.405 K(o=-0.4,f=-3!) USER MOD ----------------------------------------------------------------- ATOM 295 N MET A 0 96.299 9.960 -2.103 1.00 0.00 N ATOM 296 CA MET A 0 96.942 8.679 -1.825 1.00 0.00 C ATOM 297 C MET A 0 96.560 7.662 -2.889 1.00 0.00 C ATOM 298 O MET A 0 95.398 7.573 -3.277 1.00 0.00 O ATOM 299 CB MET A 0 96.540 8.147 -0.444 1.00 0.00 C ATOM 300 CG MET A 0 97.434 8.626 0.688 1.00 0.00 C ATOM 301 SD MET A 0 99.125 8.015 0.539 1.00 0.00 S ATOM 302 CE MET A 0 98.866 6.245 0.653 1.00 0.00 C ATOM 0 H1 MET A 0 95.940 10.368 -1.216 1.00 0.00 H new ATOM 0 H2 MET A 0 96.990 10.610 -2.529 1.00 0.00 H new ATOM 0 H3 MET A 0 95.508 9.815 -2.762 1.00 0.00 H new ATOM 0 HA MET A 0 98.021 8.835 -1.837 1.00 0.00 H new ATOM 0 HB2 MET A 0 95.514 8.448 -0.235 1.00 0.00 H new ATOM 0 HB3 MET A 0 96.554 7.057 -0.468 1.00 0.00 H new ATOM 0 HG2 MET A 0 97.445 9.716 0.702 1.00 0.00 H new ATOM 0 HG3 MET A 0 97.016 8.299 1.640 1.00 0.00 H new ATOM 0 HE1 MET A 0 99.657 5.800 1.256 1.00 0.00 H new ATOM 0 HE2 MET A 0 97.900 6.048 1.118 1.00 0.00 H new ATOM 0 HE3 MET A 0 98.883 5.810 -0.346 1.00 0.00 H new ATOM 312 N MET A 1 97.535 6.896 -3.359 1.00 0.00 N ATOM 313 CA MET A 1 97.277 5.885 -4.376 1.00 0.00 C ATOM 314 C MET A 1 96.679 4.630 -3.750 1.00 0.00 C ATOM 315 O MET A 1 97.362 3.622 -3.568 1.00 0.00 O ATOM 316 CB MET A 1 98.555 5.541 -5.149 1.00 0.00 C ATOM 317 CG MET A 1 99.040 6.666 -6.051 1.00 0.00 C ATOM 318 SD MET A 1 100.551 6.244 -6.940 1.00 0.00 S ATOM 319 CE MET A 1 100.750 7.694 -7.975 1.00 0.00 C ATOM 0 H MET A 1 98.507 6.954 -3.055 1.00 0.00 H new ATOM 0 HA MET A 1 96.555 6.298 -5.081 1.00 0.00 H new ATOM 0 HB2 MET A 1 99.343 5.290 -4.439 1.00 0.00 H new ATOM 0 HB3 MET A 1 98.376 4.652 -5.754 1.00 0.00 H new ATOM 0 HG2 MET A 1 98.258 6.913 -6.769 1.00 0.00 H new ATOM 0 HG3 MET A 1 99.214 7.558 -5.450 1.00 0.00 H new ATOM 0 HE1 MET A 1 101.645 7.584 -8.587 1.00 0.00 H new ATOM 0 HE2 MET A 1 99.879 7.802 -8.622 1.00 0.00 H new ATOM 0 HE3 MET A 1 100.847 8.579 -7.346 1.00 0.00 H new ATOM 329 N PHE A 2 95.406 4.722 -3.401 1.00 0.00 N ATOM 330 CA PHE A 2 94.679 3.618 -2.797 1.00 0.00 C ATOM 331 C PHE A 2 93.307 3.505 -3.448 1.00 0.00 C ATOM 332 O PHE A 2 92.419 4.318 -3.192 1.00 0.00 O ATOM 333 CB PHE A 2 94.545 3.847 -1.286 1.00 0.00 C ATOM 334 CG PHE A 2 93.898 2.714 -0.533 1.00 0.00 C ATOM 335 CD1 PHE A 2 94.662 1.672 -0.033 1.00 0.00 C ATOM 336 CD2 PHE A 2 92.528 2.698 -0.315 1.00 0.00 C ATOM 337 CE1 PHE A 2 94.073 0.636 0.667 1.00 0.00 C ATOM 338 CE2 PHE A 2 91.935 1.665 0.386 1.00 0.00 C ATOM 339 CZ PHE A 2 92.709 0.632 0.878 1.00 0.00 C ATOM 0 H PHE A 2 94.847 5.566 -3.529 1.00 0.00 H new ATOM 0 HA PHE A 2 95.223 2.687 -2.955 1.00 0.00 H new ATOM 0 HB2 PHE A 2 95.537 4.023 -0.869 1.00 0.00 H new ATOM 0 HB3 PHE A 2 93.964 4.754 -1.120 1.00 0.00 H new ATOM 0 HD1 PHE A 2 95.730 1.669 -0.192 1.00 0.00 H new ATOM 0 HD2 PHE A 2 91.917 3.502 -0.698 1.00 0.00 H new ATOM 0 HE1 PHE A 2 94.681 -0.171 1.049 1.00 0.00 H new ATOM 0 HE2 PHE A 2 90.867 1.665 0.549 1.00 0.00 H new ATOM 0 HZ PHE A 2 92.248 -0.176 1.426 1.00 0.00 H new ATOM 349 N LYS A 3 93.143 2.515 -4.309 1.00 0.00 N ATOM 350 CA LYS A 3 91.894 2.353 -5.041 1.00 0.00 C ATOM 351 C LYS A 3 90.878 1.574 -4.224 1.00 0.00 C ATOM 352 O LYS A 3 90.968 0.356 -4.106 1.00 0.00 O ATOM 353 CB LYS A 3 92.126 1.646 -6.379 1.00 0.00 C ATOM 354 CG LYS A 3 92.826 2.504 -7.418 1.00 0.00 C ATOM 355 CD LYS A 3 92.869 1.803 -8.766 1.00 0.00 C ATOM 356 CE LYS A 3 93.360 2.733 -9.860 1.00 0.00 C ATOM 357 NZ LYS A 3 93.340 2.081 -11.195 1.00 0.00 N ATOM 0 H LYS A 3 93.853 1.814 -4.519 1.00 0.00 H new ATOM 0 HA LYS A 3 91.501 3.351 -5.233 1.00 0.00 H new ATOM 0 HB2 LYS A 3 92.719 0.748 -6.206 1.00 0.00 H new ATOM 0 HB3 LYS A 3 91.165 1.322 -6.778 1.00 0.00 H new ATOM 0 HG2 LYS A 3 92.307 3.457 -7.517 1.00 0.00 H new ATOM 0 HG3 LYS A 3 93.841 2.726 -7.087 1.00 0.00 H new ATOM 0 HD2 LYS A 3 93.524 0.934 -8.705 1.00 0.00 H new ATOM 0 HD3 LYS A 3 91.874 1.436 -9.018 1.00 0.00 H new ATOM 0 HE2 LYS A 3 92.736 3.626 -9.883 1.00 0.00 H new ATOM 0 HE3 LYS A 3 94.375 3.059 -9.631 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 93.683 2.750 -11.913 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 93.955 1.243 -11.181 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 92.368 1.793 -11.426 1.00 0.00 H new ATOM 371 N LEU A 4 89.923 2.284 -3.653 1.00 0.00 N ATOM 372 CA LEU A 4 88.841 1.655 -2.917 1.00 0.00 C ATOM 373 C LEU A 4 87.601 1.618 -3.805 1.00 0.00 C ATOM 374 O LEU A 4 87.029 2.662 -4.121 1.00 0.00 O ATOM 375 CB LEU A 4 88.561 2.437 -1.625 1.00 0.00 C ATOM 376 CG LEU A 4 88.046 1.615 -0.437 1.00 0.00 C ATOM 377 CD1 LEU A 4 87.893 2.501 0.787 1.00 0.00 C ATOM 378 CD2 LEU A 4 86.724 0.938 -0.759 1.00 0.00 C ATOM 0 H LEU A 4 89.874 3.302 -3.685 1.00 0.00 H new ATOM 0 HA LEU A 4 89.118 0.637 -2.642 1.00 0.00 H new ATOM 0 HB2 LEU A 4 89.480 2.939 -1.322 1.00 0.00 H new ATOM 0 HB3 LEU A 4 87.830 3.215 -1.846 1.00 0.00 H new ATOM 0 HG LEU A 4 88.780 0.836 -0.228 1.00 0.00 H new ATOM 0 HD11 LEU A 4 87.527 1.906 1.624 1.00 0.00 H new ATOM 0 HD12 LEU A 4 88.859 2.934 1.046 1.00 0.00 H new ATOM 0 HD13 LEU A 4 87.183 3.300 0.572 1.00 0.00 H new ATOM 0 HD21 LEU A 4 86.389 0.364 0.105 1.00 0.00 H new ATOM 0 HD22 LEU A 4 85.978 1.694 -1.004 1.00 0.00 H new ATOM 0 HD23 LEU A 4 86.855 0.269 -1.610 1.00 0.00 H new ATOM 390 N THR A 5 87.203 0.422 -4.225 1.00 0.00 N ATOM 391 CA THR A 5 86.064 0.273 -5.119 1.00 0.00 C ATOM 392 C THR A 5 84.765 0.710 -4.441 1.00 0.00 C ATOM 393 O THR A 5 84.548 0.438 -3.258 1.00 0.00 O ATOM 394 CB THR A 5 85.927 -1.179 -5.625 1.00 0.00 C ATOM 395 OG1 THR A 5 85.953 -2.096 -4.524 1.00 0.00 O ATOM 396 CG2 THR A 5 87.044 -1.520 -6.600 1.00 0.00 C ATOM 0 H THR A 5 87.652 -0.455 -3.961 1.00 0.00 H new ATOM 0 HA THR A 5 86.247 0.922 -5.976 1.00 0.00 H new ATOM 0 HB THR A 5 84.971 -1.266 -6.142 1.00 0.00 H new ATOM 0 HG1 THR A 5 85.999 -3.014 -4.864 1.00 0.00 H new ATOM 0 HG21 THR A 5 86.926 -2.548 -6.943 1.00 0.00 H new ATOM 0 HG22 THR A 5 87.000 -0.845 -7.455 1.00 0.00 H new ATOM 0 HG23 THR A 5 88.007 -1.412 -6.102 1.00 0.00 H new ATOM 404 N PRO A 6 83.894 1.417 -5.184 1.00 0.00 N ATOM 405 CA PRO A 6 82.608 1.902 -4.664 1.00 0.00 C ATOM 406 C PRO A 6 81.773 0.788 -4.037 1.00 0.00 C ATOM 407 O PRO A 6 81.108 0.996 -3.020 1.00 0.00 O ATOM 408 CB PRO A 6 81.910 2.465 -5.905 1.00 0.00 C ATOM 409 CG PRO A 6 83.019 2.826 -6.830 1.00 0.00 C ATOM 410 CD PRO A 6 84.104 1.817 -6.587 1.00 0.00 C ATOM 0 HA PRO A 6 82.743 2.633 -3.867 1.00 0.00 H new ATOM 0 HB2 PRO A 6 81.244 1.728 -6.354 1.00 0.00 H new ATOM 0 HB3 PRO A 6 81.302 3.335 -5.657 1.00 0.00 H new ATOM 0 HG2 PRO A 6 82.686 2.799 -7.868 1.00 0.00 H new ATOM 0 HG3 PRO A 6 83.376 3.837 -6.636 1.00 0.00 H new ATOM 0 HD2 PRO A 6 84.020 0.967 -7.264 1.00 0.00 H new ATOM 0 HD3 PRO A 6 85.094 2.248 -6.738 1.00 0.00 H new ATOM 418 N ALA A 7 81.817 -0.394 -4.643 1.00 0.00 N ATOM 419 CA ALA A 7 81.110 -1.551 -4.114 1.00 0.00 C ATOM 420 C ALA A 7 81.627 -1.919 -2.727 1.00 0.00 C ATOM 421 O ALA A 7 80.847 -2.181 -1.811 1.00 0.00 O ATOM 422 CB ALA A 7 81.246 -2.730 -5.062 1.00 0.00 C ATOM 0 H ALA A 7 82.336 -0.574 -5.502 1.00 0.00 H new ATOM 0 HA ALA A 7 80.055 -1.294 -4.024 1.00 0.00 H new ATOM 0 HB1 ALA A 7 80.712 -3.588 -4.654 1.00 0.00 H new ATOM 0 HB2 ALA A 7 80.823 -2.468 -6.032 1.00 0.00 H new ATOM 0 HB3 ALA A 7 82.300 -2.981 -5.181 1.00 0.00 H new ATOM 428 N ALA A 8 82.947 -1.922 -2.573 1.00 0.00 N ATOM 429 CA ALA A 8 83.562 -2.238 -1.292 1.00 0.00 C ATOM 430 C ALA A 8 83.284 -1.133 -0.282 1.00 0.00 C ATOM 431 O ALA A 8 83.025 -1.402 0.888 1.00 0.00 O ATOM 432 CB ALA A 8 85.059 -2.454 -1.451 1.00 0.00 C ATOM 0 H ALA A 8 83.609 -1.709 -3.319 1.00 0.00 H new ATOM 0 HA ALA A 8 83.123 -3.164 -0.921 1.00 0.00 H new ATOM 0 HB1 ALA A 8 85.498 -2.689 -0.481 1.00 0.00 H new ATOM 0 HB2 ALA A 8 85.236 -3.280 -2.139 1.00 0.00 H new ATOM 0 HB3 ALA A 8 85.517 -1.548 -1.847 1.00 0.00 H new ATOM 438 N ALA A 9 83.320 0.111 -0.754 1.00 0.00 N ATOM 439 CA ALA A 9 83.035 1.268 0.090 1.00 0.00 C ATOM 440 C ALA A 9 81.644 1.160 0.708 1.00 0.00 C ATOM 441 O ALA A 9 81.433 1.530 1.862 1.00 0.00 O ATOM 442 CB ALA A 9 83.165 2.557 -0.715 1.00 0.00 C ATOM 0 H ALA A 9 83.545 0.344 -1.721 1.00 0.00 H new ATOM 0 HA ALA A 9 83.764 1.289 0.900 1.00 0.00 H new ATOM 0 HB1 ALA A 9 82.950 3.411 -0.072 1.00 0.00 H new ATOM 0 HB2 ALA A 9 84.180 2.642 -1.104 1.00 0.00 H new ATOM 0 HB3 ALA A 9 82.459 2.540 -1.545 1.00 0.00 H new ATOM 448 N GLU A 10 80.702 0.640 -0.070 1.00 0.00 N ATOM 449 CA GLU A 10 79.341 0.423 0.400 1.00 0.00 C ATOM 450 C GLU A 10 79.325 -0.616 1.521 1.00 0.00 C ATOM 451 O GLU A 10 78.725 -0.400 2.578 1.00 0.00 O ATOM 452 CB GLU A 10 78.462 -0.031 -0.770 1.00 0.00 C ATOM 453 CG GLU A 10 77.016 -0.315 -0.396 1.00 0.00 C ATOM 454 CD GLU A 10 76.306 0.892 0.180 1.00 0.00 C ATOM 455 OE1 GLU A 10 75.990 1.826 -0.587 1.00 0.00 O ATOM 456 OE2 GLU A 10 76.046 0.908 1.399 1.00 0.00 O ATOM 0 H GLU A 10 80.859 0.359 -1.038 1.00 0.00 H new ATOM 0 HA GLU A 10 78.945 1.357 0.799 1.00 0.00 H new ATOM 0 HB2 GLU A 10 78.480 0.738 -1.542 1.00 0.00 H new ATOM 0 HB3 GLU A 10 78.895 -0.931 -1.206 1.00 0.00 H new ATOM 0 HG2 GLU A 10 76.479 -0.658 -1.280 1.00 0.00 H new ATOM 0 HG3 GLU A 10 76.987 -1.127 0.330 1.00 0.00 H new ATOM 463 N GLN A 11 80.015 -1.728 1.295 1.00 0.00 N ATOM 464 CA GLN A 11 80.053 -2.818 2.261 1.00 0.00 C ATOM 465 C GLN A 11 80.738 -2.374 3.555 1.00 0.00 C ATOM 466 O GLN A 11 80.281 -2.705 4.652 1.00 0.00 O ATOM 467 CB GLN A 11 80.776 -4.029 1.665 1.00 0.00 C ATOM 468 CG GLN A 11 80.650 -5.288 2.507 1.00 0.00 C ATOM 469 CD GLN A 11 81.358 -6.479 1.891 1.00 0.00 C ATOM 470 OE1 GLN A 11 82.372 -6.333 1.213 1.00 0.00 O ATOM 471 NE2 GLN A 11 80.815 -7.668 2.107 1.00 0.00 N ATOM 0 H GLN A 11 80.557 -1.898 0.448 1.00 0.00 H new ATOM 0 HA GLN A 11 79.028 -3.102 2.498 1.00 0.00 H new ATOM 0 HB2 GLN A 11 80.377 -4.226 0.670 1.00 0.00 H new ATOM 0 HB3 GLN A 11 81.832 -3.788 1.543 1.00 0.00 H new ATOM 0 HG2 GLN A 11 81.061 -5.099 3.499 1.00 0.00 H new ATOM 0 HG3 GLN A 11 79.595 -5.527 2.640 1.00 0.00 H new ATOM 0 HE21 GLN A 11 79.972 -7.748 2.676 1.00 0.00 H new ATOM 0 HE22 GLN A 11 81.240 -8.503 1.704 1.00 0.00 H new ATOM 480 N VAL A 12 81.824 -1.616 3.420 1.00 0.00 N ATOM 481 CA VAL A 12 82.553 -1.107 4.579 1.00 0.00 C ATOM 482 C VAL A 12 81.660 -0.209 5.435 1.00 0.00 C ATOM 483 O VAL A 12 81.611 -0.357 6.656 1.00 0.00 O ATOM 484 CB VAL A 12 83.822 -0.324 4.162 1.00 0.00 C ATOM 485 CG1 VAL A 12 84.513 0.279 5.377 1.00 0.00 C ATOM 486 CG2 VAL A 12 84.784 -1.227 3.404 1.00 0.00 C ATOM 0 H VAL A 12 82.218 -1.341 2.520 1.00 0.00 H new ATOM 0 HA VAL A 12 82.860 -1.974 5.164 1.00 0.00 H new ATOM 0 HB VAL A 12 83.514 0.489 3.504 1.00 0.00 H new ATOM 0 HG11 VAL A 12 85.401 0.824 5.057 1.00 0.00 H new ATOM 0 HG12 VAL A 12 83.830 0.963 5.882 1.00 0.00 H new ATOM 0 HG13 VAL A 12 84.803 -0.517 6.063 1.00 0.00 H new ATOM 0 HG21 VAL A 12 85.669 -0.658 3.120 1.00 0.00 H new ATOM 0 HG22 VAL A 12 85.078 -2.062 4.041 1.00 0.00 H new ATOM 0 HG23 VAL A 12 84.295 -1.609 2.508 1.00 0.00 H new ATOM 496 N LEU A 13 80.943 0.705 4.787 1.00 0.00 N ATOM 497 CA LEU A 13 80.048 1.616 5.495 1.00 0.00 C ATOM 498 C LEU A 13 78.950 0.853 6.223 1.00 0.00 C ATOM 499 O LEU A 13 78.563 1.218 7.334 1.00 0.00 O ATOM 500 CB LEU A 13 79.428 2.631 4.533 1.00 0.00 C ATOM 501 CG LEU A 13 80.360 3.758 4.088 1.00 0.00 C ATOM 502 CD1 LEU A 13 79.658 4.666 3.092 1.00 0.00 C ATOM 503 CD2 LEU A 13 80.835 4.556 5.293 1.00 0.00 C ATOM 0 H LEU A 13 80.964 0.835 3.775 1.00 0.00 H new ATOM 0 HA LEU A 13 80.645 2.152 6.233 1.00 0.00 H new ATOM 0 HB2 LEU A 13 79.076 2.101 3.648 1.00 0.00 H new ATOM 0 HB3 LEU A 13 78.552 3.072 5.010 1.00 0.00 H new ATOM 0 HG LEU A 13 81.229 3.318 3.599 1.00 0.00 H new ATOM 0 HD11 LEU A 13 80.336 5.463 2.786 1.00 0.00 H new ATOM 0 HD12 LEU A 13 79.361 4.086 2.218 1.00 0.00 H new ATOM 0 HD13 LEU A 13 78.773 5.101 3.557 1.00 0.00 H new ATOM 0 HD21 LEU A 13 81.498 5.355 4.962 1.00 0.00 H new ATOM 0 HD22 LEU A 13 79.975 4.987 5.806 1.00 0.00 H new ATOM 0 HD23 LEU A 13 81.373 3.898 5.976 1.00 0.00 H new ATOM 515 N LYS A 14 78.452 -0.208 5.600 1.00 0.00 N ATOM 516 CA LYS A 14 77.433 -1.036 6.224 1.00 0.00 C ATOM 517 C LYS A 14 77.984 -1.686 7.487 1.00 0.00 C ATOM 518 O LYS A 14 77.398 -1.563 8.564 1.00 0.00 O ATOM 519 CB LYS A 14 76.936 -2.117 5.262 1.00 0.00 C ATOM 520 CG LYS A 14 75.779 -2.928 5.825 1.00 0.00 C ATOM 521 CD LYS A 14 75.392 -4.085 4.918 1.00 0.00 C ATOM 522 CE LYS A 14 76.498 -5.125 4.826 1.00 0.00 C ATOM 523 NZ LYS A 14 76.057 -6.332 4.082 1.00 0.00 N ATOM 0 H LYS A 14 78.736 -0.512 4.669 1.00 0.00 H new ATOM 0 HA LYS A 14 76.592 -0.394 6.485 1.00 0.00 H new ATOM 0 HB2 LYS A 14 76.624 -1.649 4.328 1.00 0.00 H new ATOM 0 HB3 LYS A 14 77.760 -2.789 5.022 1.00 0.00 H new ATOM 0 HG2 LYS A 14 76.053 -3.314 6.807 1.00 0.00 H new ATOM 0 HG3 LYS A 14 74.917 -2.277 5.968 1.00 0.00 H new ATOM 0 HD2 LYS A 14 74.483 -4.554 5.295 1.00 0.00 H new ATOM 0 HD3 LYS A 14 75.166 -3.706 3.921 1.00 0.00 H new ATOM 0 HE2 LYS A 14 77.366 -4.690 4.331 1.00 0.00 H new ATOM 0 HE3 LYS A 14 76.813 -5.411 5.830 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 76.837 -7.018 4.040 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 75.244 -6.762 4.568 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 75.780 -6.063 3.116 1.00 0.00 H new ATOM 537 N ALA A 15 79.125 -2.353 7.347 1.00 0.00 N ATOM 538 CA ALA A 15 79.744 -3.075 8.453 1.00 0.00 C ATOM 539 C ALA A 15 80.114 -2.135 9.597 1.00 0.00 C ATOM 540 O ALA A 15 79.906 -2.461 10.767 1.00 0.00 O ATOM 541 CB ALA A 15 80.975 -3.825 7.967 1.00 0.00 C ATOM 0 H ALA A 15 79.644 -2.408 6.470 1.00 0.00 H new ATOM 0 HA ALA A 15 79.016 -3.792 8.834 1.00 0.00 H new ATOM 0 HB1 ALA A 15 81.428 -4.360 8.802 1.00 0.00 H new ATOM 0 HB2 ALA A 15 80.686 -4.537 7.194 1.00 0.00 H new ATOM 0 HB3 ALA A 15 81.694 -3.116 7.557 1.00 0.00 H new ATOM 547 N ALA A 16 80.652 -0.969 9.255 1.00 0.00 N ATOM 548 CA ALA A 16 81.043 0.019 10.255 1.00 0.00 C ATOM 549 C ALA A 16 79.844 0.467 11.081 1.00 0.00 C ATOM 550 O ALA A 16 79.913 0.554 12.308 1.00 0.00 O ATOM 551 CB ALA A 16 81.694 1.219 9.586 1.00 0.00 C ATOM 0 H ALA A 16 80.828 -0.684 8.291 1.00 0.00 H new ATOM 0 HA ALA A 16 81.764 -0.448 10.926 1.00 0.00 H new ATOM 0 HB1 ALA A 16 81.980 1.948 10.345 1.00 0.00 H new ATOM 0 HB2 ALA A 16 82.581 0.895 9.041 1.00 0.00 H new ATOM 0 HB3 ALA A 16 80.988 1.676 8.892 1.00 0.00 H new ATOM 557 N LYS A 17 78.740 0.731 10.401 1.00 0.00 N ATOM 558 CA LYS A 17 77.539 1.224 11.058 1.00 0.00 C ATOM 559 C LYS A 17 76.815 0.098 11.796 1.00 0.00 C ATOM 560 O LYS A 17 76.087 0.343 12.759 1.00 0.00 O ATOM 561 CB LYS A 17 76.623 1.885 10.029 1.00 0.00 C ATOM 562 CG LYS A 17 75.400 2.550 10.630 1.00 0.00 C ATOM 563 CD LYS A 17 74.734 3.472 9.628 1.00 0.00 C ATOM 564 CE LYS A 17 73.514 4.152 10.221 1.00 0.00 C ATOM 565 NZ LYS A 17 73.020 5.247 9.347 1.00 0.00 N ATOM 0 H LYS A 17 78.650 0.612 9.392 1.00 0.00 H new ATOM 0 HA LYS A 17 77.826 1.968 11.801 1.00 0.00 H new ATOM 0 HB2 LYS A 17 77.194 2.630 9.475 1.00 0.00 H new ATOM 0 HB3 LYS A 17 76.299 1.133 9.310 1.00 0.00 H new ATOM 0 HG2 LYS A 17 74.691 1.789 10.956 1.00 0.00 H new ATOM 0 HG3 LYS A 17 75.688 3.117 11.515 1.00 0.00 H new ATOM 0 HD2 LYS A 17 75.447 4.227 9.297 1.00 0.00 H new ATOM 0 HD3 LYS A 17 74.441 2.902 8.746 1.00 0.00 H new ATOM 0 HE2 LYS A 17 72.722 3.417 10.367 1.00 0.00 H new ATOM 0 HE3 LYS A 17 73.762 4.554 11.204 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 72.186 5.690 9.783 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 73.768 5.960 9.228 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 72.760 4.859 8.418 1.00 0.00 H new ATOM 579 N GLN A 18 77.019 -1.135 11.348 1.00 0.00 N ATOM 580 CA GLN A 18 76.454 -2.295 12.027 1.00 0.00 C ATOM 581 C GLN A 18 77.242 -2.605 13.293 1.00 0.00 C ATOM 582 O GLN A 18 76.666 -2.943 14.327 1.00 0.00 O ATOM 583 CB GLN A 18 76.434 -3.514 11.100 1.00 0.00 C ATOM 584 CG GLN A 18 75.361 -3.438 10.026 1.00 0.00 C ATOM 585 CD GLN A 18 75.429 -4.585 9.035 1.00 0.00 C ATOM 586 OE1 GLN A 18 76.501 -5.109 8.739 1.00 0.00 O ATOM 587 NE2 GLN A 18 74.279 -4.982 8.518 1.00 0.00 N ATOM 0 H GLN A 18 77.570 -1.357 10.519 1.00 0.00 H new ATOM 0 HA GLN A 18 75.426 -2.060 12.303 1.00 0.00 H new ATOM 0 HB2 GLN A 18 77.409 -3.614 10.623 1.00 0.00 H new ATOM 0 HB3 GLN A 18 76.277 -4.413 11.697 1.00 0.00 H new ATOM 0 HG2 GLN A 18 74.380 -3.433 10.501 1.00 0.00 H new ATOM 0 HG3 GLN A 18 75.459 -2.495 9.488 1.00 0.00 H new ATOM 0 HE21 GLN A 18 73.411 -4.520 8.790 1.00 0.00 H new ATOM 0 HE22 GLN A 18 74.260 -5.750 7.847 1.00 0.00 H new ATOM 596 N GLY A 19 78.561 -2.477 13.208 1.00 0.00 N ATOM 597 CA GLY A 19 79.404 -2.702 14.364 1.00 0.00 C ATOM 598 C GLY A 19 79.307 -1.575 15.372 1.00 0.00 C ATOM 599 O GLY A 19 79.496 -1.785 16.572 1.00 0.00 O ATOM 0 H GLY A 19 79.061 -2.221 12.357 1.00 0.00 H new ATOM 0 HA2 GLY A 19 79.120 -3.640 14.842 1.00 0.00 H new ATOM 0 HA3 GLY A 19 80.439 -2.810 14.041 1.00 0.00 H new ATOM 603 N GLY A 20 79.011 -0.377 14.886 1.00 0.00 N ATOM 604 CA GLY A 20 78.879 0.772 15.760 1.00 0.00 C ATOM 605 C GLY A 20 80.107 1.654 15.722 1.00 0.00 C ATOM 606 O GLY A 20 80.142 2.717 16.338 1.00 0.00 O ATOM 0 H GLY A 20 78.859 -0.180 13.897 1.00 0.00 H new ATOM 0 HA2 GLY A 20 78.005 1.353 15.466 1.00 0.00 H new ATOM 0 HA3 GLY A 20 78.707 0.433 16.782 1.00 0.00 H new ATOM 610 N THR A 21 81.106 1.223 14.971 1.00 0.00 N ATOM 611 CA THR A 21 82.366 1.938 14.878 1.00 0.00 C ATOM 612 C THR A 21 82.336 2.967 13.749 1.00 0.00 C ATOM 613 O THR A 21 83.378 3.386 13.253 1.00 0.00 O ATOM 614 CB THR A 21 83.523 0.950 14.649 1.00 0.00 C ATOM 615 OG1 THR A 21 83.175 0.039 13.598 1.00 0.00 O ATOM 616 CG2 THR A 21 83.833 0.172 15.919 1.00 0.00 C ATOM 0 H THR A 21 81.067 0.371 14.411 1.00 0.00 H new ATOM 0 HA THR A 21 82.521 2.465 15.819 1.00 0.00 H new ATOM 0 HB THR A 21 84.411 1.516 14.368 1.00 0.00 H new ATOM 0 HG1 THR A 21 83.937 -0.067 12.991 1.00 0.00 H new ATOM 0 HG21 THR A 21 84.654 -0.519 15.731 1.00 0.00 H new ATOM 0 HG22 THR A 21 84.117 0.866 16.710 1.00 0.00 H new ATOM 0 HG23 THR A 21 82.950 -0.388 16.227 1.00 0.00 H new ATOM 624 N GLU A 22 81.134 3.393 13.372 1.00 0.00 N ATOM 625 CA GLU A 22 80.959 4.354 12.288 1.00 0.00 C ATOM 626 C GLU A 22 81.501 5.727 12.685 1.00 0.00 C ATOM 627 O GLU A 22 81.817 6.555 11.830 1.00 0.00 O ATOM 628 CB GLU A 22 79.480 4.467 11.906 1.00 0.00 C ATOM 629 CG GLU A 22 78.605 5.016 13.019 1.00 0.00 C ATOM 630 CD GLU A 22 77.163 5.187 12.598 1.00 0.00 C ATOM 631 OE1 GLU A 22 76.888 6.049 11.741 1.00 0.00 O ATOM 632 OE2 GLU A 22 76.295 4.463 13.129 1.00 0.00 O ATOM 0 H GLU A 22 80.263 3.086 13.804 1.00 0.00 H new ATOM 0 HA GLU A 22 81.521 3.995 11.426 1.00 0.00 H new ATOM 0 HB2 GLU A 22 79.387 5.111 11.031 1.00 0.00 H new ATOM 0 HB3 GLU A 22 79.112 3.483 11.618 1.00 0.00 H new ATOM 0 HG2 GLU A 22 78.652 4.345 13.877 1.00 0.00 H new ATOM 0 HG3 GLU A 22 79.000 5.978 13.345 1.00 0.00 H new ATOM 639 N GLY A 23 81.601 5.962 13.989 1.00 0.00 N ATOM 640 CA GLY A 23 82.152 7.212 14.478 1.00 0.00 C ATOM 641 C GLY A 23 83.661 7.157 14.577 1.00 0.00 C ATOM 642 O GLY A 23 84.309 8.137 14.951 1.00 0.00 O ATOM 0 H GLY A 23 81.310 5.309 14.716 1.00 0.00 H new ATOM 0 HA2 GLY A 23 81.860 8.024 13.812 1.00 0.00 H new ATOM 0 HA3 GLY A 23 81.731 7.437 15.458 1.00 0.00 H new ATOM 646 N MET A 24 84.219 6.003 14.240 1.00 0.00 N ATOM 647 CA MET A 24 85.655 5.794 14.281 1.00 0.00 C ATOM 648 C MET A 24 86.190 5.654 12.865 1.00 0.00 C ATOM 649 O MET A 24 85.774 4.767 12.120 1.00 0.00 O ATOM 650 CB MET A 24 85.979 4.545 15.105 1.00 0.00 C ATOM 651 CG MET A 24 85.515 4.641 16.550 1.00 0.00 C ATOM 652 SD MET A 24 85.663 3.083 17.446 1.00 0.00 S ATOM 653 CE MET A 24 87.430 2.808 17.364 1.00 0.00 C ATOM 0 H MET A 24 83.688 5.188 13.931 1.00 0.00 H new ATOM 0 HA MET A 24 86.133 6.652 14.754 1.00 0.00 H new ATOM 0 HB2 MET A 24 85.512 3.678 14.637 1.00 0.00 H new ATOM 0 HB3 MET A 24 87.056 4.375 15.087 1.00 0.00 H new ATOM 0 HG2 MET A 24 86.099 5.405 17.063 1.00 0.00 H new ATOM 0 HG3 MET A 24 84.475 4.968 16.570 1.00 0.00 H new ATOM 0 HE1 MET A 24 87.691 1.937 17.966 1.00 0.00 H new ATOM 0 HE2 MET A 24 87.724 2.635 16.329 1.00 0.00 H new ATOM 0 HE3 MET A 24 87.953 3.684 17.748 1.00 0.00 H new ATOM 663 N CYS A 25 87.096 6.543 12.493 1.00 0.00 N ATOM 664 CA CYS A 25 87.619 6.581 11.139 1.00 0.00 C ATOM 665 C CYS A 25 88.491 5.356 10.864 1.00 0.00 C ATOM 666 O CYS A 25 89.119 4.808 11.774 1.00 0.00 O ATOM 667 CB CYS A 25 88.413 7.870 10.924 1.00 0.00 C ATOM 668 SG CYS A 25 88.732 8.267 9.189 1.00 0.00 S ATOM 0 H CYS A 25 87.486 7.252 13.114 1.00 0.00 H new ATOM 0 HA CYS A 25 86.784 6.563 10.439 1.00 0.00 H new ATOM 0 HB2 CYS A 25 87.870 8.698 11.380 1.00 0.00 H new ATOM 0 HB3 CYS A 25 89.366 7.787 11.447 1.00 0.00 H new ATOM 0 HG CYS A 25 88.212 7.348 8.431 1.00 0.00 H new ATOM 674 N LEU A 26 88.518 4.931 9.610 1.00 0.00 N ATOM 675 CA LEU A 26 89.255 3.739 9.218 1.00 0.00 C ATOM 676 C LEU A 26 90.745 4.033 9.122 1.00 0.00 C ATOM 677 O LEU A 26 91.178 4.825 8.287 1.00 0.00 O ATOM 678 CB LEU A 26 88.740 3.222 7.872 1.00 0.00 C ATOM 679 CG LEU A 26 89.430 1.959 7.350 1.00 0.00 C ATOM 680 CD1 LEU A 26 89.130 0.771 8.250 1.00 0.00 C ATOM 681 CD2 LEU A 26 89.001 1.673 5.918 1.00 0.00 C ATOM 0 H LEU A 26 88.035 5.397 8.842 1.00 0.00 H new ATOM 0 HA LEU A 26 89.101 2.975 9.980 1.00 0.00 H new ATOM 0 HB2 LEU A 26 87.672 3.022 7.962 1.00 0.00 H new ATOM 0 HB3 LEU A 26 88.855 4.012 7.130 1.00 0.00 H new ATOM 0 HG LEU A 26 90.507 2.126 7.359 1.00 0.00 H new ATOM 0 HD11 LEU A 26 89.630 -0.116 7.861 1.00 0.00 H new ATOM 0 HD12 LEU A 26 89.490 0.978 9.258 1.00 0.00 H new ATOM 0 HD13 LEU A 26 88.054 0.598 8.278 1.00 0.00 H new ATOM 0 HD21 LEU A 26 89.500 0.772 5.562 1.00 0.00 H new ATOM 0 HD22 LEU A 26 87.921 1.527 5.884 1.00 0.00 H new ATOM 0 HD23 LEU A 26 89.274 2.515 5.281 1.00 0.00 H new ATOM 693 N ARG A 27 91.526 3.402 9.981 1.00 0.00 N ATOM 694 CA ARG A 27 92.969 3.542 9.939 1.00 0.00 C ATOM 695 C ARG A 27 93.587 2.310 9.296 1.00 0.00 C ATOM 696 O ARG A 27 93.235 1.178 9.635 1.00 0.00 O ATOM 697 CB ARG A 27 93.533 3.749 11.346 1.00 0.00 C ATOM 698 CG ARG A 27 95.038 3.962 11.372 1.00 0.00 C ATOM 699 CD ARG A 27 95.407 5.283 12.028 1.00 0.00 C ATOM 700 NE ARG A 27 95.010 5.329 13.437 1.00 0.00 N ATOM 701 CZ ARG A 27 95.328 6.321 14.266 1.00 0.00 C ATOM 702 NH1 ARG A 27 95.998 7.377 13.822 1.00 0.00 N ATOM 703 NH2 ARG A 27 94.950 6.272 15.539 1.00 0.00 N ATOM 0 H ARG A 27 91.183 2.786 10.718 1.00 0.00 H new ATOM 0 HA ARG A 27 93.219 4.419 9.341 1.00 0.00 H new ATOM 0 HB2 ARG A 27 93.044 4.610 11.801 1.00 0.00 H new ATOM 0 HB3 ARG A 27 93.286 2.882 11.959 1.00 0.00 H new ATOM 0 HG2 ARG A 27 95.512 3.142 11.912 1.00 0.00 H new ATOM 0 HG3 ARG A 27 95.426 3.940 10.354 1.00 0.00 H new ATOM 0 HD2 ARG A 27 96.483 5.438 11.950 1.00 0.00 H new ATOM 0 HD3 ARG A 27 94.928 6.101 11.490 1.00 0.00 H new ATOM 0 HE ARG A 27 94.457 4.555 13.805 1.00 0.00 H new ATOM 0 HH11 ARG A 27 96.272 7.432 12.841 1.00 0.00 H new ATOM 0 HH12 ARG A 27 96.239 8.134 14.462 1.00 0.00 H new ATOM 0 HH21 ARG A 27 94.416 5.474 15.882 1.00 0.00 H new ATOM 0 HH22 ARG A 27 95.194 7.033 16.173 1.00 0.00 H new ATOM 717 N LEU A 28 94.489 2.529 8.354 1.00 0.00 N ATOM 718 CA LEU A 28 95.127 1.431 7.651 1.00 0.00 C ATOM 719 C LEU A 28 96.525 1.183 8.195 1.00 0.00 C ATOM 720 O LEU A 28 97.386 2.062 8.146 1.00 0.00 O ATOM 721 CB LEU A 28 95.206 1.722 6.151 1.00 0.00 C ATOM 722 CG LEU A 28 93.878 2.053 5.468 1.00 0.00 C ATOM 723 CD1 LEU A 28 94.089 2.265 3.977 1.00 0.00 C ATOM 724 CD2 LEU A 28 92.859 0.951 5.709 1.00 0.00 C ATOM 0 H LEU A 28 94.795 3.456 8.059 1.00 0.00 H new ATOM 0 HA LEU A 28 94.522 0.538 7.809 1.00 0.00 H new ATOM 0 HB2 LEU A 28 95.890 2.556 5.997 1.00 0.00 H new ATOM 0 HB3 LEU A 28 95.643 0.856 5.654 1.00 0.00 H new ATOM 0 HG LEU A 28 93.491 2.976 5.900 1.00 0.00 H new ATOM 0 HD11 LEU A 28 93.135 2.500 3.504 1.00 0.00 H new ATOM 0 HD12 LEU A 28 94.784 3.090 3.822 1.00 0.00 H new ATOM 0 HD13 LEU A 28 94.499 1.357 3.535 1.00 0.00 H new ATOM 0 HD21 LEU A 28 91.922 1.207 5.214 1.00 0.00 H new ATOM 0 HD22 LEU A 28 93.237 0.011 5.306 1.00 0.00 H new ATOM 0 HD23 LEU A 28 92.686 0.843 6.780 1.00 0.00 H new ATOM 736 N ALA A 29 96.740 -0.010 8.723 1.00 0.00 N ATOM 737 CA ALA A 29 98.048 -0.415 9.205 1.00 0.00 C ATOM 738 C ALA A 29 98.653 -1.440 8.256 1.00 0.00 C ATOM 739 O ALA A 29 98.101 -2.524 8.064 1.00 0.00 O ATOM 740 CB ALA A 29 97.948 -0.983 10.613 1.00 0.00 C ATOM 0 H ALA A 29 96.017 -0.721 8.829 1.00 0.00 H new ATOM 0 HA ALA A 29 98.697 0.460 9.239 1.00 0.00 H new ATOM 0 HB1 ALA A 29 98.939 -1.281 10.956 1.00 0.00 H new ATOM 0 HB2 ALA A 29 97.544 -0.224 11.284 1.00 0.00 H new ATOM 0 HB3 ALA A 29 97.289 -1.851 10.609 1.00 0.00 H new ATOM 746 N ALA A 30 99.776 -1.096 7.650 1.00 0.00 N ATOM 747 CA ALA A 30 100.425 -1.979 6.698 1.00 0.00 C ATOM 748 C ALA A 30 101.858 -2.249 7.117 1.00 0.00 C ATOM 749 O ALA A 30 102.448 -1.466 7.861 1.00 0.00 O ATOM 750 CB ALA A 30 100.388 -1.373 5.308 1.00 0.00 C ATOM 0 H ALA A 30 100.258 -0.210 7.801 1.00 0.00 H new ATOM 0 HA ALA A 30 99.885 -2.926 6.680 1.00 0.00 H new ATOM 0 HB1 ALA A 30 100.878 -2.046 4.605 1.00 0.00 H new ATOM 0 HB2 ALA A 30 99.352 -1.222 5.004 1.00 0.00 H new ATOM 0 HB3 ALA A 30 100.907 -0.415 5.315 1.00 0.00 H new ATOM 756 N GLY A 31 102.414 -3.354 6.646 1.00 0.00 N ATOM 757 CA GLY A 31 103.773 -3.693 7.001 1.00 0.00 C ATOM 758 C GLY A 31 104.499 -4.457 5.916 1.00 0.00 C ATOM 759 O GLY A 31 104.216 -5.628 5.681 1.00 0.00 O ATOM 0 H GLY A 31 101.950 -4.019 6.027 1.00 0.00 H new ATOM 0 HA2 GLY A 31 104.323 -2.778 7.222 1.00 0.00 H new ATOM 0 HA3 GLY A 31 103.765 -4.289 7.913 1.00 0.00 H new ATOM 763 N ARG A 32 105.417 -3.786 5.233 1.00 0.00 N ATOM 764 CA ARG A 32 106.332 -4.464 4.331 1.00 0.00 C ATOM 765 C ARG A 32 107.503 -4.998 5.137 1.00 0.00 C ATOM 766 O ARG A 32 108.428 -4.259 5.470 1.00 0.00 O ATOM 767 CB ARG A 32 106.840 -3.533 3.226 1.00 0.00 C ATOM 768 CG ARG A 32 105.837 -3.283 2.112 1.00 0.00 C ATOM 769 CD ARG A 32 106.440 -2.411 1.024 1.00 0.00 C ATOM 770 NE ARG A 32 105.604 -2.354 -0.176 1.00 0.00 N ATOM 771 CZ ARG A 32 105.083 -1.233 -0.673 1.00 0.00 C ATOM 772 NH1 ARG A 32 105.266 -0.074 -0.052 1.00 0.00 N ATOM 773 NH2 ARG A 32 104.381 -1.276 -1.798 1.00 0.00 N ATOM 0 H ARG A 32 105.546 -2.776 5.288 1.00 0.00 H new ATOM 0 HA ARG A 32 105.798 -5.280 3.845 1.00 0.00 H new ATOM 0 HB2 ARG A 32 107.118 -2.577 3.671 1.00 0.00 H new ATOM 0 HB3 ARG A 32 107.746 -3.959 2.795 1.00 0.00 H new ATOM 0 HG2 ARG A 32 105.517 -4.234 1.686 1.00 0.00 H new ATOM 0 HG3 ARG A 32 104.948 -2.801 2.519 1.00 0.00 H new ATOM 0 HD2 ARG A 32 106.585 -1.402 1.410 1.00 0.00 H new ATOM 0 HD3 ARG A 32 107.425 -2.795 0.759 1.00 0.00 H new ATOM 0 HE ARG A 32 105.408 -3.228 -0.663 1.00 0.00 H new ATOM 0 HH11 ARG A 32 105.808 -0.038 0.811 1.00 0.00 H new ATOM 0 HH12 ARG A 32 104.864 0.780 -0.438 1.00 0.00 H new ATOM 0 HH21 ARG A 32 104.242 -2.165 -2.279 1.00 0.00 H new ATOM 0 HH22 ARG A 32 103.980 -0.420 -2.182 1.00 0.00 H new ATOM 787 N ASN A 33 107.435 -6.272 5.469 1.00 0.00 N ATOM 788 CA ASN A 33 108.431 -6.894 6.325 1.00 0.00 C ATOM 789 C ASN A 33 109.683 -7.202 5.522 1.00 0.00 C ATOM 790 O ASN A 33 109.605 -7.822 4.458 1.00 0.00 O ATOM 791 CB ASN A 33 107.869 -8.176 6.954 1.00 0.00 C ATOM 792 CG ASN A 33 106.582 -7.929 7.723 1.00 0.00 C ATOM 793 OD1 ASN A 33 106.383 -6.860 8.303 1.00 0.00 O ATOM 794 ND2 ASN A 33 105.694 -8.913 7.726 1.00 0.00 N ATOM 0 H ASN A 33 106.696 -6.902 5.157 1.00 0.00 H new ATOM 0 HA ASN A 33 108.689 -6.203 7.127 1.00 0.00 H new ATOM 0 HB2 ASN A 33 107.685 -8.911 6.171 1.00 0.00 H new ATOM 0 HB3 ASN A 33 108.613 -8.604 7.625 1.00 0.00 H new ATOM 0 HD21 ASN A 33 104.809 -8.800 8.220 1.00 0.00 H new ATOM 0 HD22 ASN A 33 105.896 -9.783 7.234 1.00 0.00 H new ATOM 834 N SER A 37 107.007 -10.729 4.377 1.00 0.00 N ATOM 835 CA SER A 37 105.713 -10.596 3.728 1.00 0.00 C ATOM 836 C SER A 37 105.196 -9.167 3.862 1.00 0.00 C ATOM 837 O SER A 37 105.862 -8.314 4.446 1.00 0.00 O ATOM 838 CB SER A 37 104.717 -11.573 4.361 1.00 0.00 C ATOM 839 OG SER A 37 104.606 -11.356 5.763 1.00 0.00 O ATOM 0 HA SER A 37 105.824 -10.828 2.669 1.00 0.00 H new ATOM 0 HB2 SER A 37 103.740 -11.455 3.893 1.00 0.00 H new ATOM 0 HB3 SER A 37 105.038 -12.597 4.173 1.00 0.00 H new ATOM 0 HG SER A 37 103.964 -11.991 6.143 1.00 0.00 H new ATOM 845 N ILE A 38 104.015 -8.909 3.319 1.00 0.00 N ATOM 846 CA ILE A 38 103.379 -7.612 3.478 1.00 0.00 C ATOM 847 C ILE A 38 102.047 -7.779 4.198 1.00 0.00 C ATOM 848 O ILE A 38 101.128 -8.419 3.685 1.00 0.00 O ATOM 849 CB ILE A 38 103.160 -6.897 2.125 1.00 0.00 C ATOM 850 CG1 ILE A 38 104.506 -6.641 1.436 1.00 0.00 C ATOM 851 CG2 ILE A 38 102.414 -5.582 2.334 1.00 0.00 C ATOM 852 CD1 ILE A 38 104.377 -6.055 0.043 1.00 0.00 C ATOM 0 H ILE A 38 103.480 -9.579 2.766 1.00 0.00 H new ATOM 0 HA ILE A 38 104.048 -6.988 4.070 1.00 0.00 H new ATOM 0 HB ILE A 38 102.557 -7.541 1.485 1.00 0.00 H new ATOM 0 HG12 ILE A 38 105.096 -5.963 2.052 1.00 0.00 H new ATOM 0 HG13 ILE A 38 105.058 -7.579 1.376 1.00 0.00 H new ATOM 0 HG21 ILE A 38 102.267 -5.090 1.372 1.00 0.00 H new ATOM 0 HG22 ILE A 38 101.445 -5.782 2.791 1.00 0.00 H new ATOM 0 HG23 ILE A 38 102.996 -4.933 2.988 1.00 0.00 H new ATOM 0 HD11 ILE A 38 105.370 -5.902 -0.381 1.00 0.00 H new ATOM 0 HD12 ILE A 38 103.815 -6.741 -0.590 1.00 0.00 H new ATOM 0 HD13 ILE A 38 103.854 -5.100 0.097 1.00 0.00 H new ATOM 864 N ASP A 39 101.962 -7.221 5.392 1.00 0.00 N ATOM 865 CA ASP A 39 100.764 -7.338 6.211 1.00 0.00 C ATOM 866 C ASP A 39 99.804 -6.191 5.934 1.00 0.00 C ATOM 867 O ASP A 39 100.217 -5.038 5.811 1.00 0.00 O ATOM 868 CB ASP A 39 101.125 -7.360 7.701 1.00 0.00 C ATOM 869 CG ASP A 39 101.761 -8.666 8.133 1.00 0.00 C ATOM 870 OD1 ASP A 39 101.014 -9.636 8.383 1.00 0.00 O ATOM 871 OD2 ASP A 39 103.005 -8.734 8.229 1.00 0.00 O ATOM 0 H ASP A 39 102.712 -6.679 5.820 1.00 0.00 H new ATOM 0 HA ASP A 39 100.275 -8.277 5.951 1.00 0.00 H new ATOM 0 HB2 ASP A 39 101.809 -6.539 7.916 1.00 0.00 H new ATOM 0 HB3 ASP A 39 100.225 -7.187 8.291 1.00 0.00 H new ATOM 876 N TYR A 40 98.526 -6.524 5.822 1.00 0.00 N ATOM 877 CA TYR A 40 97.484 -5.530 5.618 1.00 0.00 C ATOM 878 C TYR A 40 96.444 -5.624 6.727 1.00 0.00 C ATOM 879 O TYR A 40 95.739 -6.626 6.853 1.00 0.00 O ATOM 880 CB TYR A 40 96.807 -5.717 4.260 1.00 0.00 C ATOM 881 CG TYR A 40 97.654 -5.302 3.080 1.00 0.00 C ATOM 882 CD1 TYR A 40 97.781 -3.963 2.734 1.00 0.00 C ATOM 883 CD2 TYR A 40 98.307 -6.246 2.296 1.00 0.00 C ATOM 884 CE1 TYR A 40 98.533 -3.574 1.643 1.00 0.00 C ATOM 885 CE2 TYR A 40 99.065 -5.865 1.205 1.00 0.00 C ATOM 886 CZ TYR A 40 99.174 -4.529 0.883 1.00 0.00 C ATOM 887 OH TYR A 40 99.920 -4.148 -0.208 1.00 0.00 O ATOM 0 H TYR A 40 98.185 -7.484 5.870 1.00 0.00 H new ATOM 0 HA TYR A 40 97.949 -4.544 5.641 1.00 0.00 H new ATOM 0 HB2 TYR A 40 96.534 -6.766 4.145 1.00 0.00 H new ATOM 0 HB3 TYR A 40 95.881 -5.143 4.247 1.00 0.00 H new ATOM 0 HD1 TYR A 40 97.282 -3.212 3.329 1.00 0.00 H new ATOM 0 HD2 TYR A 40 98.221 -7.294 2.543 1.00 0.00 H new ATOM 0 HE1 TYR A 40 98.618 -2.528 1.387 1.00 0.00 H new ATOM 0 HE2 TYR A 40 99.569 -6.610 0.608 1.00 0.00 H new ATOM 0 HH TYR A 40 100.648 -4.789 -0.347 1.00 0.00 H new ATOM 897 N ARG A 41 96.357 -4.581 7.531 1.00 0.00 N ATOM 898 CA ARG A 41 95.455 -4.562 8.669 1.00 0.00 C ATOM 899 C ARG A 41 94.617 -3.285 8.669 1.00 0.00 C ATOM 900 O ARG A 41 95.130 -2.192 8.884 1.00 0.00 O ATOM 901 CB ARG A 41 96.279 -4.698 9.953 1.00 0.00 C ATOM 902 CG ARG A 41 95.522 -4.434 11.244 1.00 0.00 C ATOM 903 CD ARG A 41 96.347 -4.890 12.437 1.00 0.00 C ATOM 904 NE ARG A 41 96.097 -4.099 13.639 1.00 0.00 N ATOM 905 CZ ARG A 41 96.275 -4.558 14.876 1.00 0.00 C ATOM 906 NH1 ARG A 41 96.526 -5.844 15.087 1.00 0.00 N ATOM 907 NH2 ARG A 41 96.170 -3.728 15.903 1.00 0.00 N ATOM 0 H ARG A 41 96.905 -3.728 7.416 1.00 0.00 H new ATOM 0 HA ARG A 41 94.759 -5.399 8.607 1.00 0.00 H new ATOM 0 HB2 ARG A 41 96.693 -5.705 9.994 1.00 0.00 H new ATOM 0 HB3 ARG A 41 97.122 -4.009 9.898 1.00 0.00 H new ATOM 0 HG2 ARG A 41 95.298 -3.371 11.332 1.00 0.00 H new ATOM 0 HG3 ARG A 41 94.568 -4.961 11.229 1.00 0.00 H new ATOM 0 HD2 ARG A 41 96.127 -5.937 12.645 1.00 0.00 H new ATOM 0 HD3 ARG A 41 97.406 -4.831 12.184 1.00 0.00 H new ATOM 0 HE ARG A 41 95.767 -3.141 13.524 1.00 0.00 H new ATOM 0 HH11 ARG A 41 96.584 -6.488 14.298 1.00 0.00 H new ATOM 0 HH12 ARG A 41 96.661 -6.188 16.038 1.00 0.00 H new ATOM 0 HH21 ARG A 41 95.954 -2.744 15.743 1.00 0.00 H new ATOM 0 HH22 ARG A 41 96.305 -4.073 16.853 1.00 0.00 H new ATOM 921 N MET A 42 93.324 -3.433 8.406 1.00 0.00 N ATOM 922 CA MET A 42 92.419 -2.293 8.362 1.00 0.00 C ATOM 923 C MET A 42 91.532 -2.297 9.594 1.00 0.00 C ATOM 924 O MET A 42 90.825 -3.272 9.847 1.00 0.00 O ATOM 925 CB MET A 42 91.536 -2.339 7.110 1.00 0.00 C ATOM 926 CG MET A 42 92.305 -2.502 5.809 1.00 0.00 C ATOM 927 SD MET A 42 91.243 -2.349 4.358 1.00 0.00 S ATOM 928 CE MET A 42 90.046 -3.648 4.660 1.00 0.00 C ATOM 0 H MET A 42 92.879 -4.332 8.220 1.00 0.00 H new ATOM 0 HA MET A 42 93.020 -1.384 8.334 1.00 0.00 H new ATOM 0 HB2 MET A 42 90.830 -3.164 7.207 1.00 0.00 H new ATOM 0 HB3 MET A 42 90.949 -1.422 7.059 1.00 0.00 H new ATOM 0 HG2 MET A 42 93.093 -1.751 5.760 1.00 0.00 H new ATOM 0 HG3 MET A 42 92.792 -3.477 5.798 1.00 0.00 H new ATOM 0 HE1 MET A 42 89.752 -4.099 3.712 1.00 0.00 H new ATOM 0 HE2 MET A 42 90.489 -4.409 5.302 1.00 0.00 H new ATOM 0 HE3 MET A 42 89.168 -3.227 5.149 1.00 0.00 H new ATOM 938 N GLY A 43 91.570 -1.223 10.360 1.00 0.00 N ATOM 939 CA GLY A 43 90.771 -1.158 11.562 1.00 0.00 C ATOM 940 C GLY A 43 90.257 0.234 11.841 1.00 0.00 C ATOM 941 O GLY A 43 90.949 1.219 11.586 1.00 0.00 O ATOM 0 H GLY A 43 92.138 -0.397 10.173 1.00 0.00 H new ATOM 0 HA2 GLY A 43 89.927 -1.842 11.471 1.00 0.00 H new ATOM 0 HA3 GLY A 43 91.367 -1.498 12.409 1.00 0.00 H new ATOM 945 N PHE A 44 89.038 0.322 12.348 1.00 0.00 N ATOM 946 CA PHE A 44 88.471 1.599 12.743 1.00 0.00 C ATOM 947 C PHE A 44 89.123 2.046 14.042 1.00 0.00 C ATOM 948 O PHE A 44 89.125 1.308 15.029 1.00 0.00 O ATOM 949 CB PHE A 44 86.953 1.483 12.907 1.00 0.00 C ATOM 950 CG PHE A 44 86.265 0.987 11.668 1.00 0.00 C ATOM 951 CD1 PHE A 44 86.026 1.841 10.604 1.00 0.00 C ATOM 952 CD2 PHE A 44 85.865 -0.336 11.565 1.00 0.00 C ATOM 953 CE1 PHE A 44 85.404 1.384 9.459 1.00 0.00 C ATOM 954 CE2 PHE A 44 85.241 -0.799 10.423 1.00 0.00 C ATOM 955 CZ PHE A 44 85.009 0.063 9.367 1.00 0.00 C ATOM 0 H PHE A 44 88.422 -0.478 12.495 1.00 0.00 H new ATOM 0 HA PHE A 44 88.664 2.342 11.969 1.00 0.00 H new ATOM 0 HB2 PHE A 44 86.733 0.807 13.733 1.00 0.00 H new ATOM 0 HB3 PHE A 44 86.547 2.458 13.176 1.00 0.00 H new ATOM 0 HD1 PHE A 44 86.329 2.875 10.671 1.00 0.00 H new ATOM 0 HD2 PHE A 44 86.043 -1.013 12.387 1.00 0.00 H new ATOM 0 HE1 PHE A 44 85.226 2.059 8.635 1.00 0.00 H new ATOM 0 HE2 PHE A 44 84.935 -1.832 10.355 1.00 0.00 H new ATOM 0 HZ PHE A 44 84.520 -0.295 8.473 1.00 0.00 H new ATOM 965 N ASP A 45 89.680 3.242 14.033 1.00 0.00 N ATOM 966 CA ASP A 45 90.483 3.715 15.149 1.00 0.00 C ATOM 967 C ASP A 45 90.116 5.161 15.467 1.00 0.00 C ATOM 968 O ASP A 45 89.163 5.697 14.899 1.00 0.00 O ATOM 969 CB ASP A 45 91.969 3.600 14.782 1.00 0.00 C ATOM 970 CG ASP A 45 92.880 3.488 15.987 1.00 0.00 C ATOM 971 OD1 ASP A 45 93.236 4.530 16.572 1.00 0.00 O ATOM 972 OD2 ASP A 45 93.268 2.358 16.340 1.00 0.00 O ATOM 0 H ASP A 45 89.592 3.907 13.264 1.00 0.00 H new ATOM 0 HA ASP A 45 90.289 3.108 16.033 1.00 0.00 H new ATOM 0 HB2 ASP A 45 92.112 2.727 14.146 1.00 0.00 H new ATOM 0 HB3 ASP A 45 92.259 4.472 14.196 1.00 0.00 H new ATOM 977 N ASP A 46 90.859 5.793 16.362 1.00 0.00 N ATOM 978 CA ASP A 46 90.598 7.183 16.707 1.00 0.00 C ATOM 979 C ASP A 46 91.316 8.106 15.744 1.00 0.00 C ATOM 980 O ASP A 46 92.478 7.886 15.401 1.00 0.00 O ATOM 981 CB ASP A 46 91.015 7.497 18.144 1.00 0.00 C ATOM 982 CG ASP A 46 90.037 6.949 19.161 1.00 0.00 C ATOM 983 OD1 ASP A 46 88.848 7.344 19.128 1.00 0.00 O ATOM 984 OD2 ASP A 46 90.449 6.125 20.002 1.00 0.00 O ATOM 0 H ASP A 46 91.642 5.370 16.860 1.00 0.00 H new ATOM 0 HA ASP A 46 89.523 7.346 16.629 1.00 0.00 H new ATOM 0 HB2 ASP A 46 92.004 7.078 18.332 1.00 0.00 H new ATOM 0 HB3 ASP A 46 91.097 8.577 18.268 1.00 0.00 H new ATOM 989 N LEU A 47 90.625 9.147 15.321 1.00 0.00 N ATOM 990 CA LEU A 47 91.134 10.036 14.295 1.00 0.00 C ATOM 991 C LEU A 47 92.043 11.102 14.894 1.00 0.00 C ATOM 992 O LEU A 47 91.593 11.982 15.627 1.00 0.00 O ATOM 993 CB LEU A 47 89.957 10.679 13.550 1.00 0.00 C ATOM 994 CG LEU A 47 90.289 11.341 12.208 1.00 0.00 C ATOM 995 CD1 LEU A 47 89.037 11.432 11.355 1.00 0.00 C ATOM 996 CD2 LEU A 47 90.881 12.731 12.401 1.00 0.00 C ATOM 0 H LEU A 47 89.702 9.399 15.676 1.00 0.00 H new ATOM 0 HA LEU A 47 91.731 9.457 13.591 1.00 0.00 H new ATOM 0 HB2 LEU A 47 89.201 9.913 13.377 1.00 0.00 H new ATOM 0 HB3 LEU A 47 89.508 11.429 14.201 1.00 0.00 H new ATOM 0 HG LEU A 47 91.034 10.724 11.706 1.00 0.00 H new ATOM 0 HD11 LEU A 47 89.279 11.903 10.402 1.00 0.00 H new ATOM 0 HD12 LEU A 47 88.646 10.431 11.175 1.00 0.00 H new ATOM 0 HD13 LEU A 47 88.286 12.027 11.874 1.00 0.00 H new ATOM 0 HD21 LEU A 47 91.104 13.170 11.428 1.00 0.00 H new ATOM 0 HD22 LEU A 47 90.165 13.362 12.928 1.00 0.00 H new ATOM 0 HD23 LEU A 47 91.798 12.658 12.985 1.00 0.00 H new ATOM 1008 N THR A 48 93.328 10.997 14.599 1.00 0.00 N ATOM 1009 CA THR A 48 94.273 12.040 14.941 1.00 0.00 C ATOM 1010 C THR A 48 94.445 12.980 13.750 1.00 0.00 C ATOM 1011 O THR A 48 94.270 12.571 12.602 1.00 0.00 O ATOM 1012 CB THR A 48 95.630 11.446 15.356 1.00 0.00 C ATOM 1013 OG1 THR A 48 95.685 10.060 14.992 1.00 0.00 O ATOM 1014 CG2 THR A 48 95.854 11.591 16.853 1.00 0.00 C ATOM 0 H THR A 48 93.739 10.195 14.121 1.00 0.00 H new ATOM 0 HA THR A 48 93.883 12.599 15.791 1.00 0.00 H new ATOM 0 HB THR A 48 96.416 11.993 14.836 1.00 0.00 H new ATOM 0 HG1 THR A 48 95.694 9.978 14.015 1.00 0.00 H new ATOM 0 HG21 THR A 48 96.820 11.163 17.119 1.00 0.00 H new ATOM 0 HG22 THR A 48 95.838 12.647 17.123 1.00 0.00 H new ATOM 0 HG23 THR A 48 95.064 11.067 17.391 1.00 0.00 H new ATOM 1022 N GLU A 49 94.789 14.231 14.017 1.00 0.00 N ATOM 1023 CA GLU A 49 94.797 15.250 12.975 1.00 0.00 C ATOM 1024 C GLU A 49 96.093 15.219 12.172 1.00 0.00 C ATOM 1025 O GLU A 49 96.262 15.979 11.219 1.00 0.00 O ATOM 1026 CB GLU A 49 94.582 16.633 13.586 1.00 0.00 C ATOM 1027 CG GLU A 49 93.340 16.715 14.461 1.00 0.00 C ATOM 1028 CD GLU A 49 93.023 18.126 14.904 1.00 0.00 C ATOM 1029 OE1 GLU A 49 93.935 18.823 15.394 1.00 0.00 O ATOM 1030 OE2 GLU A 49 91.855 18.545 14.755 1.00 0.00 O ATOM 0 H GLU A 49 95.065 14.565 14.940 1.00 0.00 H new ATOM 0 HA GLU A 49 93.978 15.033 12.290 1.00 0.00 H new ATOM 0 HB2 GLU A 49 95.456 16.900 14.180 1.00 0.00 H new ATOM 0 HB3 GLU A 49 94.504 17.369 12.785 1.00 0.00 H new ATOM 0 HG2 GLU A 49 92.488 16.312 13.913 1.00 0.00 H new ATOM 0 HG3 GLU A 49 93.479 16.086 15.340 1.00 0.00 H new ATOM 1037 N ASP A 50 97.002 14.334 12.557 1.00 0.00 N ATOM 1038 CA ASP A 50 98.263 14.175 11.840 1.00 0.00 C ATOM 1039 C ASP A 50 98.119 13.146 10.729 1.00 0.00 C ATOM 1040 O ASP A 50 98.922 13.106 9.796 1.00 0.00 O ATOM 1041 CB ASP A 50 99.388 13.762 12.791 1.00 0.00 C ATOM 1042 CG ASP A 50 99.695 14.828 13.820 1.00 0.00 C ATOM 1043 OD1 ASP A 50 100.247 15.884 13.446 1.00 0.00 O ATOM 1044 OD2 ASP A 50 99.369 14.623 15.009 1.00 0.00 O ATOM 0 H ASP A 50 96.892 13.715 13.360 1.00 0.00 H new ATOM 0 HA ASP A 50 98.520 15.138 11.400 1.00 0.00 H new ATOM 0 HB2 ASP A 50 99.109 12.839 13.300 1.00 0.00 H new ATOM 0 HB3 ASP A 50 100.288 13.548 12.214 1.00 0.00 H new ATOM 1049 N ASP A 51 97.086 12.318 10.829 1.00 0.00 N ATOM 1050 CA ASP A 51 96.813 11.307 9.816 1.00 0.00 C ATOM 1051 C ASP A 51 96.276 11.964 8.555 1.00 0.00 C ATOM 1052 O ASP A 51 95.535 12.948 8.624 1.00 0.00 O ATOM 1053 CB ASP A 51 95.797 10.277 10.323 1.00 0.00 C ATOM 1054 CG ASP A 51 96.310 9.455 11.489 1.00 0.00 C ATOM 1055 OD1 ASP A 51 96.457 10.014 12.593 1.00 0.00 O ATOM 1056 OD2 ASP A 51 96.556 8.241 11.312 1.00 0.00 O ATOM 0 H ASP A 51 96.422 12.327 11.604 1.00 0.00 H new ATOM 0 HA ASP A 51 97.749 10.794 9.594 1.00 0.00 H new ATOM 0 HB2 ASP A 51 94.886 10.793 10.624 1.00 0.00 H new ATOM 0 HB3 ASP A 51 95.529 9.608 9.505 1.00 0.00 H new ATOM 1061 N ILE A 52 96.661 11.434 7.408 1.00 0.00 N ATOM 1062 CA ILE A 52 96.170 11.940 6.138 1.00 0.00 C ATOM 1063 C ILE A 52 94.766 11.411 5.872 1.00 0.00 C ATOM 1064 O ILE A 52 94.538 10.201 5.894 1.00 0.00 O ATOM 1065 CB ILE A 52 97.105 11.545 4.973 1.00 0.00 C ATOM 1066 CG1 ILE A 52 98.517 12.085 5.222 1.00 0.00 C ATOM 1067 CG2 ILE A 52 96.560 12.062 3.647 1.00 0.00 C ATOM 1068 CD1 ILE A 52 99.519 11.697 4.155 1.00 0.00 C ATOM 0 H ILE A 52 97.312 10.653 7.329 1.00 0.00 H new ATOM 0 HA ILE A 52 96.145 13.028 6.200 1.00 0.00 H new ATOM 0 HB ILE A 52 97.152 10.457 4.920 1.00 0.00 H new ATOM 0 HG12 ILE A 52 98.473 13.172 5.288 1.00 0.00 H new ATOM 0 HG13 ILE A 52 98.870 11.721 6.187 1.00 0.00 H new ATOM 0 HG21 ILE A 52 97.233 11.773 2.840 1.00 0.00 H new ATOM 0 HG22 ILE A 52 95.574 11.634 3.468 1.00 0.00 H new ATOM 0 HG23 ILE A 52 96.483 13.149 3.684 1.00 0.00 H new ATOM 0 HD11 ILE A 52 100.494 12.116 4.402 1.00 0.00 H new ATOM 0 HD12 ILE A 52 99.594 10.611 4.104 1.00 0.00 H new ATOM 0 HD13 ILE A 52 99.191 12.084 3.190 1.00 0.00 H new ATOM 1080 N ARG A 53 93.830 12.320 5.635 1.00 0.00 N ATOM 1081 CA ARG A 53 92.445 11.951 5.385 1.00 0.00 C ATOM 1082 C ARG A 53 92.231 11.589 3.923 1.00 0.00 C ATOM 1083 O ARG A 53 92.323 12.443 3.037 1.00 0.00 O ATOM 1084 CB ARG A 53 91.506 13.093 5.775 1.00 0.00 C ATOM 1085 CG ARG A 53 90.780 12.886 7.093 1.00 0.00 C ATOM 1086 CD ARG A 53 89.884 14.075 7.402 1.00 0.00 C ATOM 1087 NE ARG A 53 89.025 13.848 8.562 1.00 0.00 N ATOM 1088 CZ ARG A 53 88.924 14.696 9.585 1.00 0.00 C ATOM 1089 NH1 ARG A 53 89.712 15.764 9.643 1.00 0.00 N ATOM 1090 NH2 ARG A 53 88.051 14.469 10.559 1.00 0.00 N ATOM 0 H ARG A 53 94.007 13.324 5.611 1.00 0.00 H new ATOM 0 HA ARG A 53 92.219 11.078 5.997 1.00 0.00 H new ATOM 0 HB2 ARG A 53 92.082 14.017 5.832 1.00 0.00 H new ATOM 0 HB3 ARG A 53 90.768 13.226 4.984 1.00 0.00 H new ATOM 0 HG2 ARG A 53 90.182 11.976 7.046 1.00 0.00 H new ATOM 0 HG3 ARG A 53 91.504 12.751 7.896 1.00 0.00 H new ATOM 0 HD2 ARG A 53 90.503 14.954 7.580 1.00 0.00 H new ATOM 0 HD3 ARG A 53 89.263 14.293 6.533 1.00 0.00 H new ATOM 0 HE ARG A 53 88.471 12.992 8.590 1.00 0.00 H new ATOM 0 HH11 ARG A 53 90.394 15.935 8.904 1.00 0.00 H new ATOM 0 HH12 ARG A 53 89.635 16.413 10.426 1.00 0.00 H new ATOM 0 HH21 ARG A 53 87.454 13.643 10.526 1.00 0.00 H new ATOM 0 HH22 ARG A 53 87.977 15.121 11.340 1.00 0.00 H new ATOM 1104 N LEU A 54 91.972 10.322 3.677 1.00 0.00 N ATOM 1105 CA LEU A 54 91.638 9.850 2.349 1.00 0.00 C ATOM 1106 C LEU A 54 90.136 9.621 2.261 1.00 0.00 C ATOM 1107 O LEU A 54 89.620 8.616 2.751 1.00 0.00 O ATOM 1108 CB LEU A 54 92.395 8.555 2.038 1.00 0.00 C ATOM 1109 CG LEU A 54 92.183 7.994 0.631 1.00 0.00 C ATOM 1110 CD1 LEU A 54 92.733 8.951 -0.416 1.00 0.00 C ATOM 1111 CD2 LEU A 54 92.838 6.626 0.500 1.00 0.00 C ATOM 0 H LEU A 54 91.987 9.592 4.389 1.00 0.00 H new ATOM 0 HA LEU A 54 91.932 10.600 1.615 1.00 0.00 H new ATOM 0 HB2 LEU A 54 93.461 8.733 2.183 1.00 0.00 H new ATOM 0 HB3 LEU A 54 92.097 7.797 2.762 1.00 0.00 H new ATOM 0 HG LEU A 54 91.112 7.882 0.463 1.00 0.00 H new ATOM 0 HD11 LEU A 54 92.573 8.534 -1.410 1.00 0.00 H new ATOM 0 HD12 LEU A 54 92.220 9.910 -0.338 1.00 0.00 H new ATOM 0 HD13 LEU A 54 93.801 9.096 -0.251 1.00 0.00 H new ATOM 0 HD21 LEU A 54 92.678 6.241 -0.507 1.00 0.00 H new ATOM 0 HD22 LEU A 54 93.908 6.715 0.688 1.00 0.00 H new ATOM 0 HD23 LEU A 54 92.398 5.941 1.225 1.00 0.00 H new ATOM 1123 N THR A 55 89.431 10.566 1.670 1.00 0.00 N ATOM 1124 CA THR A 55 87.987 10.485 1.584 1.00 0.00 C ATOM 1125 C THR A 55 87.552 9.974 0.215 1.00 0.00 C ATOM 1126 O THR A 55 87.810 10.610 -0.808 1.00 0.00 O ATOM 1127 CB THR A 55 87.342 11.859 1.851 1.00 0.00 C ATOM 1128 OG1 THR A 55 87.938 12.460 3.011 1.00 0.00 O ATOM 1129 CG2 THR A 55 85.839 11.724 2.060 1.00 0.00 C ATOM 0 H THR A 55 89.835 11.399 1.242 1.00 0.00 H new ATOM 0 HA THR A 55 87.651 9.783 2.347 1.00 0.00 H new ATOM 0 HB THR A 55 87.515 12.492 0.981 1.00 0.00 H new ATOM 0 HG1 THR A 55 87.526 13.334 3.175 1.00 0.00 H new ATOM 0 HG21 THR A 55 85.408 12.708 2.247 1.00 0.00 H new ATOM 0 HG22 THR A 55 85.385 11.292 1.168 1.00 0.00 H new ATOM 0 HG23 THR A 55 85.647 11.076 2.915 1.00 0.00 H new ATOM 1137 N SER A 56 86.917 8.814 0.203 1.00 0.00 N ATOM 1138 CA SER A 56 86.375 8.259 -1.023 1.00 0.00 C ATOM 1139 C SER A 56 84.958 8.782 -1.234 1.00 0.00 C ATOM 1140 O SER A 56 84.579 9.807 -0.664 1.00 0.00 O ATOM 1141 CB SER A 56 86.388 6.727 -0.957 1.00 0.00 C ATOM 1142 OG SER A 56 85.639 6.252 0.152 1.00 0.00 O ATOM 0 H SER A 56 86.765 8.238 1.031 1.00 0.00 H new ATOM 0 HA SER A 56 86.991 8.567 -1.868 1.00 0.00 H new ATOM 0 HB2 SER A 56 85.976 6.318 -1.879 1.00 0.00 H new ATOM 0 HB3 SER A 56 87.416 6.373 -0.883 1.00 0.00 H new ATOM 0 HG SER A 56 86.133 6.429 0.980 1.00 0.00 H new ATOM 1148 N GLU A 57 84.171 8.080 -2.039 1.00 0.00 N ATOM 1149 CA GLU A 57 82.794 8.486 -2.288 1.00 0.00 C ATOM 1150 C GLU A 57 81.894 8.110 -1.113 1.00 0.00 C ATOM 1151 O GLU A 57 80.701 8.414 -1.113 1.00 0.00 O ATOM 1152 CB GLU A 57 82.276 7.853 -3.583 1.00 0.00 C ATOM 1153 CG GLU A 57 83.100 8.238 -4.799 1.00 0.00 C ATOM 1154 CD GLU A 57 82.490 7.773 -6.106 1.00 0.00 C ATOM 1155 OE1 GLU A 57 81.329 8.143 -6.395 1.00 0.00 O ATOM 1156 OE2 GLU A 57 83.174 7.046 -6.857 1.00 0.00 O ATOM 0 H GLU A 57 84.460 7.233 -2.528 1.00 0.00 H new ATOM 0 HA GLU A 57 82.774 9.570 -2.398 1.00 0.00 H new ATOM 0 HB2 GLU A 57 82.278 6.768 -3.477 1.00 0.00 H new ATOM 0 HB3 GLU A 57 81.241 8.156 -3.741 1.00 0.00 H new ATOM 0 HG2 GLU A 57 83.214 9.322 -4.824 1.00 0.00 H new ATOM 0 HG3 GLU A 57 84.100 7.815 -4.701 1.00 0.00 H new ATOM 1163 N GLY A 58 82.475 7.464 -0.105 1.00 0.00 N ATOM 1164 CA GLY A 58 81.705 7.064 1.056 1.00 0.00 C ATOM 1165 C GLY A 58 82.548 6.928 2.312 1.00 0.00 C ATOM 1166 O GLY A 58 82.215 7.488 3.355 1.00 0.00 O ATOM 0 H GLY A 58 83.463 7.212 -0.073 1.00 0.00 H new ATOM 0 HA2 GLY A 58 80.917 7.796 1.232 1.00 0.00 H new ATOM 0 HA3 GLY A 58 81.215 6.112 0.850 1.00 0.00 H new ATOM 1170 N VAL A 59 83.648 6.196 2.211 1.00 0.00 N ATOM 1171 CA VAL A 59 84.470 5.885 3.376 1.00 0.00 C ATOM 1172 C VAL A 59 85.620 6.878 3.527 1.00 0.00 C ATOM 1173 O VAL A 59 86.277 7.239 2.545 1.00 0.00 O ATOM 1174 CB VAL A 59 85.048 4.454 3.283 1.00 0.00 C ATOM 1175 CG1 VAL A 59 85.847 4.102 4.531 1.00 0.00 C ATOM 1176 CG2 VAL A 59 83.939 3.440 3.057 1.00 0.00 C ATOM 0 H VAL A 59 83.994 5.805 1.335 1.00 0.00 H new ATOM 0 HA VAL A 59 83.822 5.956 4.249 1.00 0.00 H new ATOM 0 HB VAL A 59 85.725 4.422 2.429 1.00 0.00 H new ATOM 0 HG11 VAL A 59 86.241 3.090 4.437 1.00 0.00 H new ATOM 0 HG12 VAL A 59 86.673 4.804 4.644 1.00 0.00 H new ATOM 0 HG13 VAL A 59 85.199 4.159 5.406 1.00 0.00 H new ATOM 0 HG21 VAL A 59 84.368 2.440 2.995 1.00 0.00 H new ATOM 0 HG22 VAL A 59 83.234 3.481 3.887 1.00 0.00 H new ATOM 0 HG23 VAL A 59 83.419 3.671 2.127 1.00 0.00 H new ATOM 1186 N GLU A 60 85.848 7.323 4.755 1.00 0.00 N ATOM 1187 CA GLU A 60 86.988 8.169 5.064 1.00 0.00 C ATOM 1188 C GLU A 60 88.076 7.329 5.724 1.00 0.00 C ATOM 1189 O GLU A 60 87.795 6.526 6.616 1.00 0.00 O ATOM 1190 CB GLU A 60 86.579 9.322 5.982 1.00 0.00 C ATOM 1191 CG GLU A 60 87.702 10.310 6.248 1.00 0.00 C ATOM 1192 CD GLU A 60 87.297 11.417 7.196 1.00 0.00 C ATOM 1193 OE1 GLU A 60 86.660 12.387 6.742 1.00 0.00 O ATOM 1194 OE2 GLU A 60 87.628 11.328 8.396 1.00 0.00 O ATOM 0 H GLU A 60 85.254 7.110 5.556 1.00 0.00 H new ATOM 0 HA GLU A 60 87.370 8.597 4.138 1.00 0.00 H new ATOM 0 HB2 GLU A 60 85.738 9.852 5.535 1.00 0.00 H new ATOM 0 HB3 GLU A 60 86.231 8.915 6.931 1.00 0.00 H new ATOM 0 HG2 GLU A 60 88.558 9.777 6.663 1.00 0.00 H new ATOM 0 HG3 GLU A 60 88.026 10.747 5.304 1.00 0.00 H new ATOM 1201 N ILE A 61 89.302 7.498 5.263 1.00 0.00 N ATOM 1202 CA ILE A 61 90.428 6.740 5.779 1.00 0.00 C ATOM 1203 C ILE A 61 91.481 7.675 6.364 1.00 0.00 C ATOM 1204 O ILE A 61 91.797 8.705 5.774 1.00 0.00 O ATOM 1205 CB ILE A 61 91.068 5.888 4.660 1.00 0.00 C ATOM 1206 CG1 ILE A 61 90.041 4.908 4.084 1.00 0.00 C ATOM 1207 CG2 ILE A 61 92.286 5.143 5.179 1.00 0.00 C ATOM 1208 CD1 ILE A 61 90.564 4.090 2.923 1.00 0.00 C ATOM 0 H ILE A 61 89.545 8.160 4.526 1.00 0.00 H new ATOM 0 HA ILE A 61 90.056 6.081 6.564 1.00 0.00 H new ATOM 0 HB ILE A 61 91.395 6.556 3.863 1.00 0.00 H new ATOM 0 HG12 ILE A 61 89.714 4.233 4.874 1.00 0.00 H new ATOM 0 HG13 ILE A 61 89.163 5.466 3.758 1.00 0.00 H new ATOM 0 HG21 ILE A 61 92.720 4.550 4.374 1.00 0.00 H new ATOM 0 HG22 ILE A 61 93.024 5.859 5.541 1.00 0.00 H new ATOM 0 HG23 ILE A 61 91.989 4.485 5.995 1.00 0.00 H new ATOM 0 HD11 ILE A 61 89.781 3.419 2.568 1.00 0.00 H new ATOM 0 HD12 ILE A 61 90.865 4.756 2.115 1.00 0.00 H new ATOM 0 HD13 ILE A 61 91.423 3.504 3.249 1.00 0.00 H new ATOM 1220 N VAL A 62 92.010 7.326 7.527 1.00 0.00 N ATOM 1221 CA VAL A 62 93.098 8.086 8.123 1.00 0.00 C ATOM 1222 C VAL A 62 94.401 7.302 8.056 1.00 0.00 C ATOM 1223 O VAL A 62 94.519 6.205 8.609 1.00 0.00 O ATOM 1224 CB VAL A 62 92.806 8.501 9.582 1.00 0.00 C ATOM 1225 CG1 VAL A 62 91.839 9.671 9.609 1.00 0.00 C ATOM 1226 CG2 VAL A 62 92.252 7.335 10.390 1.00 0.00 C ATOM 0 H VAL A 62 91.704 6.523 8.076 1.00 0.00 H new ATOM 0 HA VAL A 62 93.194 9.001 7.539 1.00 0.00 H new ATOM 0 HB VAL A 62 93.746 8.806 10.041 1.00 0.00 H new ATOM 0 HG11 VAL A 62 91.640 9.955 10.642 1.00 0.00 H new ATOM 0 HG12 VAL A 62 92.276 10.517 9.078 1.00 0.00 H new ATOM 0 HG13 VAL A 62 90.905 9.383 9.126 1.00 0.00 H new ATOM 0 HG21 VAL A 62 92.057 7.660 11.412 1.00 0.00 H new ATOM 0 HG22 VAL A 62 91.324 6.987 9.937 1.00 0.00 H new ATOM 0 HG23 VAL A 62 92.978 6.522 10.400 1.00 0.00 H new ATOM 1236 N ILE A 63 95.365 7.859 7.344 1.00 0.00 N ATOM 1237 CA ILE A 63 96.657 7.219 7.175 1.00 0.00 C ATOM 1238 C ILE A 63 97.778 8.128 7.666 1.00 0.00 C ATOM 1239 O ILE A 63 98.134 9.104 7.004 1.00 0.00 O ATOM 1240 CB ILE A 63 96.911 6.850 5.695 1.00 0.00 C ATOM 1241 CG1 ILE A 63 95.781 5.961 5.166 1.00 0.00 C ATOM 1242 CG2 ILE A 63 98.253 6.150 5.547 1.00 0.00 C ATOM 1243 CD1 ILE A 63 95.879 5.655 3.687 1.00 0.00 C ATOM 0 H ILE A 63 95.276 8.758 6.871 1.00 0.00 H new ATOM 0 HA ILE A 63 96.646 6.305 7.769 1.00 0.00 H new ATOM 0 HB ILE A 63 96.933 7.767 5.107 1.00 0.00 H new ATOM 0 HG12 ILE A 63 95.780 5.023 5.721 1.00 0.00 H new ATOM 0 HG13 ILE A 63 94.826 6.449 5.363 1.00 0.00 H new ATOM 0 HG21 ILE A 63 98.418 5.896 4.500 1.00 0.00 H new ATOM 0 HG22 ILE A 63 99.048 6.812 5.889 1.00 0.00 H new ATOM 0 HG23 ILE A 63 98.256 5.239 6.146 1.00 0.00 H new ATOM 0 HD11 ILE A 63 95.043 5.021 3.390 1.00 0.00 H new ATOM 0 HD12 ILE A 63 95.848 6.585 3.120 1.00 0.00 H new ATOM 0 HD13 ILE A 63 96.817 5.138 3.484 1.00 0.00 H new ATOM 1255 N ALA A 64 98.302 7.825 8.843 1.00 0.00 N ATOM 1256 CA ALA A 64 99.455 8.537 9.371 1.00 0.00 C ATOM 1257 C ALA A 64 100.671 8.311 8.478 1.00 0.00 C ATOM 1258 O ALA A 64 100.781 7.266 7.827 1.00 0.00 O ATOM 1259 CB ALA A 64 99.747 8.082 10.794 1.00 0.00 C ATOM 0 H ALA A 64 97.946 7.089 9.452 1.00 0.00 H new ATOM 0 HA ALA A 64 99.232 9.604 9.387 1.00 0.00 H new ATOM 0 HB1 ALA A 64 100.612 8.622 11.178 1.00 0.00 H new ATOM 0 HB2 ALA A 64 98.882 8.285 11.426 1.00 0.00 H new ATOM 0 HB3 ALA A 64 99.956 7.012 10.798 1.00 0.00 H new ATOM 1265 N PRO A 65 101.601 9.285 8.430 1.00 0.00 N ATOM 1266 CA PRO A 65 102.809 9.201 7.592 1.00 0.00 C ATOM 1267 C PRO A 65 103.582 7.899 7.796 1.00 0.00 C ATOM 1268 O PRO A 65 104.268 7.422 6.892 1.00 0.00 O ATOM 1269 CB PRO A 65 103.645 10.396 8.059 1.00 0.00 C ATOM 1270 CG PRO A 65 102.646 11.373 8.571 1.00 0.00 C ATOM 1271 CD PRO A 65 101.542 10.554 9.181 1.00 0.00 C ATOM 0 HA PRO A 65 102.565 9.217 6.530 1.00 0.00 H new ATOM 0 HB2 PRO A 65 104.351 10.106 8.837 1.00 0.00 H new ATOM 0 HB3 PRO A 65 104.228 10.817 7.240 1.00 0.00 H new ATOM 0 HG2 PRO A 65 103.093 12.038 9.310 1.00 0.00 H new ATOM 0 HG3 PRO A 65 102.266 12.002 7.766 1.00 0.00 H new ATOM 0 HD2 PRO A 65 101.701 10.397 10.248 1.00 0.00 H new ATOM 0 HD3 PRO A 65 100.573 11.041 9.071 1.00 0.00 H new ATOM 1279 N ASP A 66 103.440 7.321 8.981 1.00 0.00 N ATOM 1280 CA ASP A 66 104.113 6.076 9.336 1.00 0.00 C ATOM 1281 C ASP A 66 103.632 4.922 8.459 1.00 0.00 C ATOM 1282 O ASP A 66 104.379 3.987 8.176 1.00 0.00 O ATOM 1283 CB ASP A 66 103.839 5.731 10.801 1.00 0.00 C ATOM 1284 CG ASP A 66 103.890 6.940 11.711 1.00 0.00 C ATOM 1285 OD1 ASP A 66 102.890 7.685 11.762 1.00 0.00 O ATOM 1286 OD2 ASP A 66 104.918 7.147 12.390 1.00 0.00 O ATOM 0 H ASP A 66 102.855 7.701 9.725 1.00 0.00 H new ATOM 0 HA ASP A 66 105.182 6.219 9.179 1.00 0.00 H new ATOM 0 HB2 ASP A 66 102.858 5.263 10.881 1.00 0.00 H new ATOM 0 HB3 ASP A 66 104.571 4.997 11.139 1.00 0.00 H new ATOM 1291 N TYR A 67 102.379 4.995 8.029 1.00 0.00 N ATOM 1292 CA TYR A 67 101.765 3.915 7.265 1.00 0.00 C ATOM 1293 C TYR A 67 101.763 4.227 5.772 1.00 0.00 C ATOM 1294 O TYR A 67 101.687 3.320 4.945 1.00 0.00 O ATOM 1295 CB TYR A 67 100.331 3.680 7.739 1.00 0.00 C ATOM 1296 CG TYR A 67 100.210 3.408 9.222 1.00 0.00 C ATOM 1297 CD1 TYR A 67 100.475 2.148 9.740 1.00 0.00 C ATOM 1298 CD2 TYR A 67 99.821 4.410 10.100 1.00 0.00 C ATOM 1299 CE1 TYR A 67 100.357 1.895 11.093 1.00 0.00 C ATOM 1300 CE2 TYR A 67 99.702 4.167 11.453 1.00 0.00 C ATOM 1301 CZ TYR A 67 99.970 2.908 11.946 1.00 0.00 C ATOM 1302 OH TYR A 67 99.845 2.665 13.296 1.00 0.00 O ATOM 0 H TYR A 67 101.766 5.793 8.197 1.00 0.00 H new ATOM 0 HA TYR A 67 102.356 3.014 7.430 1.00 0.00 H new ATOM 0 HB2 TYR A 67 99.729 4.554 7.490 1.00 0.00 H new ATOM 0 HB3 TYR A 67 99.911 2.837 7.190 1.00 0.00 H new ATOM 0 HD1 TYR A 67 100.778 1.353 9.075 1.00 0.00 H new ATOM 0 HD2 TYR A 67 99.608 5.397 9.717 1.00 0.00 H new ATOM 0 HE1 TYR A 67 100.567 0.909 11.481 1.00 0.00 H new ATOM 0 HE2 TYR A 67 99.400 4.959 12.122 1.00 0.00 H new ATOM 0 HH TYR A 67 99.565 3.486 13.752 1.00 0.00 H new ATOM 1312 N VAL A 68 101.856 5.514 5.444 1.00 0.00 N ATOM 1313 CA VAL A 68 101.801 5.978 4.053 1.00 0.00 C ATOM 1314 C VAL A 68 102.800 5.241 3.160 1.00 0.00 C ATOM 1315 O VAL A 68 102.490 4.889 2.023 1.00 0.00 O ATOM 1316 CB VAL A 68 102.071 7.500 3.961 1.00 0.00 C ATOM 1317 CG1 VAL A 68 102.105 7.968 2.512 1.00 0.00 C ATOM 1318 CG2 VAL A 68 101.024 8.276 4.740 1.00 0.00 C ATOM 0 H VAL A 68 101.971 6.263 6.127 1.00 0.00 H new ATOM 0 HA VAL A 68 100.793 5.763 3.698 1.00 0.00 H new ATOM 0 HB VAL A 68 103.050 7.691 4.401 1.00 0.00 H new ATOM 0 HG11 VAL A 68 102.296 9.041 2.480 1.00 0.00 H new ATOM 0 HG12 VAL A 68 102.897 7.442 1.978 1.00 0.00 H new ATOM 0 HG13 VAL A 68 101.146 7.757 2.039 1.00 0.00 H new ATOM 0 HG21 VAL A 68 101.231 9.343 4.663 1.00 0.00 H new ATOM 0 HG22 VAL A 68 100.036 8.067 4.329 1.00 0.00 H new ATOM 0 HG23 VAL A 68 101.053 7.975 5.787 1.00 0.00 H new ATOM 1328 N SER A 69 103.981 4.974 3.700 1.00 0.00 N ATOM 1329 CA SER A 69 105.073 4.386 2.932 1.00 0.00 C ATOM 1330 C SER A 69 104.829 2.911 2.602 1.00 0.00 C ATOM 1331 O SER A 69 105.609 2.294 1.876 1.00 0.00 O ATOM 1332 CB SER A 69 106.371 4.533 3.724 1.00 0.00 C ATOM 1333 OG SER A 69 106.187 4.128 5.073 1.00 0.00 O ATOM 0 H SER A 69 104.210 5.157 4.677 1.00 0.00 H new ATOM 0 HA SER A 69 105.140 4.917 1.983 1.00 0.00 H new ATOM 0 HB2 SER A 69 107.154 3.931 3.262 1.00 0.00 H new ATOM 0 HB3 SER A 69 106.706 5.570 3.693 1.00 0.00 H new ATOM 0 HG SER A 69 107.030 4.228 5.563 1.00 0.00 H new ATOM 1339 N LEU A 70 103.754 2.344 3.135 1.00 0.00 N ATOM 1340 CA LEU A 70 103.483 0.926 2.957 1.00 0.00 C ATOM 1341 C LEU A 70 102.080 0.702 2.398 1.00 0.00 C ATOM 1342 O LEU A 70 101.609 -0.433 2.316 1.00 0.00 O ATOM 1343 CB LEU A 70 103.645 0.197 4.295 1.00 0.00 C ATOM 1344 CG LEU A 70 104.999 0.397 4.983 1.00 0.00 C ATOM 1345 CD1 LEU A 70 105.024 -0.306 6.326 1.00 0.00 C ATOM 1346 CD2 LEU A 70 106.130 -0.109 4.102 1.00 0.00 C ATOM 0 H LEU A 70 103.060 2.843 3.691 1.00 0.00 H new ATOM 0 HA LEU A 70 104.198 0.524 2.239 1.00 0.00 H new ATOM 0 HB2 LEU A 70 102.858 0.532 4.971 1.00 0.00 H new ATOM 0 HB3 LEU A 70 103.492 -0.870 4.131 1.00 0.00 H new ATOM 0 HG LEU A 70 105.141 1.465 5.147 1.00 0.00 H new ATOM 0 HD11 LEU A 70 105.994 -0.152 6.799 1.00 0.00 H new ATOM 0 HD12 LEU A 70 104.240 0.101 6.965 1.00 0.00 H new ATOM 0 HD13 LEU A 70 104.856 -1.373 6.181 1.00 0.00 H new ATOM 0 HD21 LEU A 70 107.082 0.043 4.610 1.00 0.00 H new ATOM 0 HD22 LEU A 70 105.990 -1.172 3.904 1.00 0.00 H new ATOM 0 HD23 LEU A 70 106.130 0.439 3.160 1.00 0.00 H new ATOM 1358 N LEU A 71 101.425 1.786 2.005 1.00 0.00 N ATOM 1359 CA LEU A 71 100.054 1.718 1.510 1.00 0.00 C ATOM 1360 C LEU A 71 99.953 2.271 0.094 1.00 0.00 C ATOM 1361 O LEU A 71 98.875 2.655 -0.364 1.00 0.00 O ATOM 1362 CB LEU A 71 99.120 2.484 2.447 1.00 0.00 C ATOM 1363 CG LEU A 71 98.841 1.793 3.781 1.00 0.00 C ATOM 1364 CD1 LEU A 71 98.153 2.747 4.738 1.00 0.00 C ATOM 1365 CD2 LEU A 71 97.985 0.553 3.564 1.00 0.00 C ATOM 0 H LEU A 71 101.821 2.726 2.019 1.00 0.00 H new ATOM 0 HA LEU A 71 99.752 0.671 1.484 1.00 0.00 H new ATOM 0 HB2 LEU A 71 99.552 3.465 2.646 1.00 0.00 H new ATOM 0 HB3 LEU A 71 98.172 2.651 1.935 1.00 0.00 H new ATOM 0 HG LEU A 71 99.791 1.489 4.219 1.00 0.00 H new ATOM 0 HD11 LEU A 71 97.961 2.239 5.683 1.00 0.00 H new ATOM 0 HD12 LEU A 71 98.794 3.611 4.914 1.00 0.00 H new ATOM 0 HD13 LEU A 71 97.208 3.078 4.306 1.00 0.00 H new ATOM 0 HD21 LEU A 71 97.794 0.071 4.523 1.00 0.00 H new ATOM 0 HD22 LEU A 71 97.038 0.840 3.107 1.00 0.00 H new ATOM 0 HD23 LEU A 71 98.509 -0.141 2.907 1.00 0.00 H new ATOM 1377 N ASP A 72 101.078 2.301 -0.596 1.00 0.00 N ATOM 1378 CA ASP A 72 101.113 2.770 -1.971 1.00 0.00 C ATOM 1379 C ASP A 72 100.712 1.654 -2.925 1.00 0.00 C ATOM 1380 O ASP A 72 100.974 0.476 -2.666 1.00 0.00 O ATOM 1381 CB ASP A 72 102.510 3.284 -2.329 1.00 0.00 C ATOM 1382 CG ASP A 72 103.574 2.212 -2.207 1.00 0.00 C ATOM 1383 OD1 ASP A 72 104.064 1.984 -1.085 1.00 0.00 O ATOM 1384 OD2 ASP A 72 103.931 1.596 -3.231 1.00 0.00 O ATOM 0 H ASP A 72 101.982 2.006 -0.227 1.00 0.00 H new ATOM 0 HA ASP A 72 100.402 3.590 -2.068 1.00 0.00 H new ATOM 0 HB2 ASP A 72 102.502 3.668 -3.349 1.00 0.00 H new ATOM 0 HB3 ASP A 72 102.764 4.119 -1.676 1.00 0.00 H new ATOM 1389 N GLN A 73 100.034 2.035 -4.010 1.00 0.00 N ATOM 1390 CA GLN A 73 99.660 1.102 -5.077 1.00 0.00 C ATOM 1391 C GLN A 73 98.693 0.032 -4.576 1.00 0.00 C ATOM 1392 O GLN A 73 98.535 -1.012 -5.208 1.00 0.00 O ATOM 1393 CB GLN A 73 100.909 0.436 -5.670 1.00 0.00 C ATOM 1394 CG GLN A 73 101.862 1.407 -6.345 1.00 0.00 C ATOM 1395 CD GLN A 73 101.248 2.085 -7.552 1.00 0.00 C ATOM 1396 OE1 GLN A 73 100.396 1.520 -8.234 1.00 0.00 O ATOM 1397 NE2 GLN A 73 101.676 3.306 -7.821 1.00 0.00 N ATOM 0 H GLN A 73 99.730 2.995 -4.174 1.00 0.00 H new ATOM 0 HA GLN A 73 99.156 1.679 -5.852 1.00 0.00 H new ATOM 0 HB2 GLN A 73 101.441 -0.088 -4.876 1.00 0.00 H new ATOM 0 HB3 GLN A 73 100.598 -0.316 -6.395 1.00 0.00 H new ATOM 0 HG2 GLN A 73 102.171 2.165 -5.626 1.00 0.00 H new ATOM 0 HG3 GLN A 73 102.761 0.873 -6.652 1.00 0.00 H new ATOM 0 HE21 GLN A 73 102.385 3.740 -7.230 1.00 0.00 H new ATOM 0 HE22 GLN A 73 101.297 3.815 -8.620 1.00 0.00 H new ATOM 1406 N THR A 74 98.030 0.298 -3.464 1.00 0.00 N ATOM 1407 CA THR A 74 97.147 -0.684 -2.865 1.00 0.00 C ATOM 1408 C THR A 74 95.719 -0.540 -3.388 1.00 0.00 C ATOM 1409 O THR A 74 95.065 0.484 -3.187 1.00 0.00 O ATOM 1410 CB THR A 74 97.159 -0.572 -1.330 1.00 0.00 C ATOM 1411 OG1 THR A 74 98.512 -0.615 -0.856 1.00 0.00 O ATOM 1412 CG2 THR A 74 96.364 -1.706 -0.695 1.00 0.00 C ATOM 0 H THR A 74 98.087 1.183 -2.960 1.00 0.00 H new ATOM 0 HA THR A 74 97.518 -1.669 -3.147 1.00 0.00 H new ATOM 0 HB THR A 74 96.697 0.375 -1.051 1.00 0.00 H new ATOM 0 HG1 THR A 74 98.519 -0.542 0.121 1.00 0.00 H new ATOM 0 HG21 THR A 74 96.388 -1.604 0.390 1.00 0.00 H new ATOM 0 HG22 THR A 74 95.331 -1.664 -1.041 1.00 0.00 H new ATOM 0 HG23 THR A 74 96.803 -2.662 -0.979 1.00 0.00 H new ATOM 1420 N THR A 75 95.258 -1.563 -4.086 1.00 0.00 N ATOM 1421 CA THR A 75 93.895 -1.611 -4.578 1.00 0.00 C ATOM 1422 C THR A 75 93.050 -2.502 -3.670 1.00 0.00 C ATOM 1423 O THR A 75 93.399 -3.659 -3.428 1.00 0.00 O ATOM 1424 CB THR A 75 93.855 -2.152 -6.019 1.00 0.00 C ATOM 1425 OG1 THR A 75 94.803 -1.438 -6.823 1.00 0.00 O ATOM 1426 CG2 THR A 75 92.465 -2.013 -6.623 1.00 0.00 C ATOM 0 H THR A 75 95.817 -2.381 -4.327 1.00 0.00 H new ATOM 0 HA THR A 75 93.490 -0.599 -4.576 1.00 0.00 H new ATOM 0 HB THR A 75 94.110 -3.212 -5.994 1.00 0.00 H new ATOM 0 HG1 THR A 75 94.780 -1.783 -7.740 1.00 0.00 H new ATOM 0 HG21 THR A 75 92.470 -2.404 -7.641 1.00 0.00 H new ATOM 0 HG22 THR A 75 91.749 -2.574 -6.022 1.00 0.00 H new ATOM 0 HG23 THR A 75 92.179 -0.961 -6.640 1.00 0.00 H new ATOM 1434 N LEU A 76 91.955 -1.954 -3.166 1.00 0.00 N ATOM 1435 CA LEU A 76 91.086 -2.671 -2.247 1.00 0.00 C ATOM 1436 C LEU A 76 89.762 -3.012 -2.917 1.00 0.00 C ATOM 1437 O LEU A 76 89.011 -2.124 -3.326 1.00 0.00 O ATOM 1438 CB LEU A 76 90.831 -1.830 -0.994 1.00 0.00 C ATOM 1439 CG LEU A 76 89.926 -2.480 0.055 1.00 0.00 C ATOM 1440 CD1 LEU A 76 90.574 -3.735 0.615 1.00 0.00 C ATOM 1441 CD2 LEU A 76 89.608 -1.497 1.171 1.00 0.00 C ATOM 0 H LEU A 76 91.646 -1.006 -3.381 1.00 0.00 H new ATOM 0 HA LEU A 76 91.582 -3.598 -1.960 1.00 0.00 H new ATOM 0 HB2 LEU A 76 91.790 -1.599 -0.530 1.00 0.00 H new ATOM 0 HB3 LEU A 76 90.386 -0.882 -1.297 1.00 0.00 H new ATOM 0 HG LEU A 76 88.991 -2.764 -0.427 1.00 0.00 H new ATOM 0 HD11 LEU A 76 89.916 -4.183 1.359 1.00 0.00 H new ATOM 0 HD12 LEU A 76 90.747 -4.447 -0.192 1.00 0.00 H new ATOM 0 HD13 LEU A 76 91.525 -3.477 1.080 1.00 0.00 H new ATOM 0 HD21 LEU A 76 88.964 -1.978 1.907 1.00 0.00 H new ATOM 0 HD22 LEU A 76 90.534 -1.180 1.651 1.00 0.00 H new ATOM 0 HD23 LEU A 76 89.099 -0.627 0.756 1.00 0.00 H new ATOM 1453 N ASP A 77 89.489 -4.300 -3.027 1.00 0.00 N ATOM 1454 CA ASP A 77 88.240 -4.775 -3.609 1.00 0.00 C ATOM 1455 C ASP A 77 87.820 -6.055 -2.900 1.00 0.00 C ATOM 1456 O ASP A 77 88.654 -6.714 -2.279 1.00 0.00 O ATOM 1457 CB ASP A 77 88.419 -5.021 -5.110 1.00 0.00 C ATOM 1458 CG ASP A 77 87.107 -5.278 -5.824 1.00 0.00 C ATOM 1459 OD1 ASP A 77 86.086 -4.668 -5.439 1.00 0.00 O ATOM 1460 OD2 ASP A 77 87.096 -6.083 -6.780 1.00 0.00 O ATOM 0 H ASP A 77 90.118 -5.042 -2.720 1.00 0.00 H new ATOM 0 HA ASP A 77 87.462 -4.022 -3.481 1.00 0.00 H new ATOM 0 HB2 ASP A 77 88.909 -4.157 -5.559 1.00 0.00 H new ATOM 0 HB3 ASP A 77 89.081 -5.875 -5.257 1.00 0.00 H new ATOM 1465 N TYR A 78 86.547 -6.413 -2.967 1.00 0.00 N ATOM 1466 CA TYR A 78 86.082 -7.604 -2.270 1.00 0.00 C ATOM 1467 C TYR A 78 85.573 -8.650 -3.254 1.00 0.00 C ATOM 1468 O TYR A 78 84.849 -8.335 -4.201 1.00 0.00 O ATOM 1469 CB TYR A 78 85.005 -7.261 -1.229 1.00 0.00 C ATOM 1470 CG TYR A 78 83.642 -6.925 -1.798 1.00 0.00 C ATOM 1471 CD1 TYR A 78 83.387 -5.690 -2.378 1.00 0.00 C ATOM 1472 CD2 TYR A 78 82.603 -7.849 -1.741 1.00 0.00 C ATOM 1473 CE1 TYR A 78 82.140 -5.385 -2.886 1.00 0.00 C ATOM 1474 CE2 TYR A 78 81.352 -7.548 -2.245 1.00 0.00 C ATOM 1475 CZ TYR A 78 81.127 -6.316 -2.816 1.00 0.00 C ATOM 1476 OH TYR A 78 79.881 -6.012 -3.317 1.00 0.00 O ATOM 0 H TYR A 78 85.829 -5.908 -3.486 1.00 0.00 H new ATOM 0 HA TYR A 78 86.934 -8.026 -1.738 1.00 0.00 H new ATOM 0 HB2 TYR A 78 84.899 -8.105 -0.548 1.00 0.00 H new ATOM 0 HB3 TYR A 78 85.352 -6.415 -0.636 1.00 0.00 H new ATOM 0 HD1 TYR A 78 84.177 -4.956 -2.433 1.00 0.00 H new ATOM 0 HD2 TYR A 78 82.777 -8.817 -1.296 1.00 0.00 H new ATOM 0 HE1 TYR A 78 81.959 -4.420 -3.337 1.00 0.00 H new ATOM 0 HE2 TYR A 78 80.555 -8.275 -2.191 1.00 0.00 H new ATOM 0 HH TYR A 78 79.282 -6.777 -3.190 1.00 0.00 H new ATOM 1486 N VAL A 79 85.977 -9.892 -3.028 1.00 0.00 N ATOM 1487 CA VAL A 79 85.579 -11.008 -3.878 1.00 0.00 C ATOM 1488 C VAL A 79 85.230 -12.224 -3.034 1.00 0.00 C ATOM 1489 O VAL A 79 85.529 -12.270 -1.837 1.00 0.00 O ATOM 1490 CB VAL A 79 86.695 -11.408 -4.867 1.00 0.00 C ATOM 1491 CG1 VAL A 79 86.910 -10.325 -5.913 1.00 0.00 C ATOM 1492 CG2 VAL A 79 87.992 -11.700 -4.125 1.00 0.00 C ATOM 0 H VAL A 79 86.587 -10.155 -2.254 1.00 0.00 H new ATOM 0 HA VAL A 79 84.708 -10.675 -4.443 1.00 0.00 H new ATOM 0 HB VAL A 79 86.380 -12.317 -5.380 1.00 0.00 H new ATOM 0 HG11 VAL A 79 87.701 -10.632 -6.597 1.00 0.00 H new ATOM 0 HG12 VAL A 79 85.987 -10.170 -6.472 1.00 0.00 H new ATOM 0 HG13 VAL A 79 87.196 -9.395 -5.421 1.00 0.00 H new ATOM 0 HG21 VAL A 79 88.765 -11.980 -4.840 1.00 0.00 H new ATOM 0 HG22 VAL A 79 88.307 -10.811 -3.579 1.00 0.00 H new ATOM 0 HG23 VAL A 79 87.833 -12.519 -3.423 1.00 0.00 H new ATOM 1502 N GLU A 80 84.610 -13.210 -3.659 1.00 0.00 N ATOM 1503 CA GLU A 80 84.265 -14.446 -2.980 1.00 0.00 C ATOM 1504 C GLU A 80 85.408 -15.448 -3.111 1.00 0.00 C ATOM 1505 O GLU A 80 85.634 -16.017 -4.179 1.00 0.00 O ATOM 1506 CB GLU A 80 82.970 -15.021 -3.558 1.00 0.00 C ATOM 1507 CG GLU A 80 82.562 -16.353 -2.953 1.00 0.00 C ATOM 1508 CD GLU A 80 81.250 -16.862 -3.508 1.00 0.00 C ATOM 1509 OE1 GLU A 80 81.041 -16.765 -4.735 1.00 0.00 O ATOM 1510 OE2 GLU A 80 80.422 -17.369 -2.718 1.00 0.00 O ATOM 0 H GLU A 80 84.334 -13.178 -4.640 1.00 0.00 H new ATOM 0 HA GLU A 80 84.105 -14.240 -1.922 1.00 0.00 H new ATOM 0 HB2 GLU A 80 82.165 -14.302 -3.405 1.00 0.00 H new ATOM 0 HB3 GLU A 80 83.087 -15.143 -4.635 1.00 0.00 H new ATOM 0 HG2 GLU A 80 83.343 -17.089 -3.142 1.00 0.00 H new ATOM 0 HG3 GLU A 80 82.479 -16.247 -1.871 1.00 0.00 H new ATOM 1517 N LEU A 81 86.149 -15.626 -2.027 1.00 0.00 N ATOM 1518 CA LEU A 81 87.262 -16.567 -2.008 1.00 0.00 C ATOM 1519 C LEU A 81 86.777 -17.957 -1.614 1.00 0.00 C ATOM 1520 O LEU A 81 87.176 -18.959 -2.209 1.00 0.00 O ATOM 1521 CB LEU A 81 88.353 -16.091 -1.046 1.00 0.00 C ATOM 1522 CG LEU A 81 89.039 -14.779 -1.435 1.00 0.00 C ATOM 1523 CD1 LEU A 81 90.109 -14.416 -0.417 1.00 0.00 C ATOM 1524 CD2 LEU A 81 89.647 -14.886 -2.826 1.00 0.00 C ATOM 0 H LEU A 81 86.000 -15.131 -1.148 1.00 0.00 H new ATOM 0 HA LEU A 81 87.685 -16.618 -3.011 1.00 0.00 H new ATOM 0 HB2 LEU A 81 87.915 -15.973 -0.055 1.00 0.00 H new ATOM 0 HB3 LEU A 81 89.112 -16.870 -0.969 1.00 0.00 H new ATOM 0 HG LEU A 81 88.288 -13.989 -1.446 1.00 0.00 H new ATOM 0 HD11 LEU A 81 90.587 -13.481 -0.709 1.00 0.00 H new ATOM 0 HD12 LEU A 81 89.652 -14.299 0.565 1.00 0.00 H new ATOM 0 HD13 LEU A 81 90.857 -15.208 -0.377 1.00 0.00 H new ATOM 0 HD21 LEU A 81 90.130 -13.944 -3.085 1.00 0.00 H new ATOM 0 HD22 LEU A 81 90.385 -15.688 -2.840 1.00 0.00 H new ATOM 0 HD23 LEU A 81 88.862 -15.103 -3.551 1.00 0.00 H new ATOM 1536 N GLU A 82 85.917 -18.007 -0.605 1.00 0.00 N ATOM 1537 CA GLU A 82 85.287 -19.252 -0.190 1.00 0.00 C ATOM 1538 C GLU A 82 83.791 -19.170 -0.458 1.00 0.00 C ATOM 1539 O GLU A 82 83.226 -18.076 -0.456 1.00 0.00 O ATOM 1540 CB GLU A 82 85.524 -19.540 1.299 1.00 0.00 C ATOM 1541 CG GLU A 82 86.966 -19.855 1.668 1.00 0.00 C ATOM 1542 CD GLU A 82 87.838 -18.624 1.746 1.00 0.00 C ATOM 1543 OE1 GLU A 82 87.499 -17.707 2.522 1.00 0.00 O ATOM 1544 OE2 GLU A 82 88.880 -18.577 1.059 1.00 0.00 O ATOM 0 H GLU A 82 85.639 -17.193 -0.056 1.00 0.00 H new ATOM 0 HA GLU A 82 85.733 -20.065 -0.763 1.00 0.00 H new ATOM 0 HB2 GLU A 82 85.196 -18.677 1.878 1.00 0.00 H new ATOM 0 HB3 GLU A 82 84.896 -20.380 1.596 1.00 0.00 H new ATOM 0 HG2 GLU A 82 86.985 -20.369 2.629 1.00 0.00 H new ATOM 0 HG3 GLU A 82 87.382 -20.542 0.931 1.00 0.00 H new ATOM 1551 N PRO A 83 83.134 -20.315 -0.699 1.00 0.00 N ATOM 1552 CA PRO A 83 81.693 -20.365 -0.963 1.00 0.00 C ATOM 1553 C PRO A 83 80.873 -19.667 0.123 1.00 0.00 C ATOM 1554 O PRO A 83 80.741 -20.169 1.244 1.00 0.00 O ATOM 1555 CB PRO A 83 81.371 -21.866 -0.999 1.00 0.00 C ATOM 1556 CG PRO A 83 82.575 -22.547 -0.436 1.00 0.00 C ATOM 1557 CD PRO A 83 83.738 -21.652 -0.748 1.00 0.00 C ATOM 0 HA PRO A 83 81.440 -19.846 -1.887 1.00 0.00 H new ATOM 0 HB2 PRO A 83 80.482 -22.091 -0.410 1.00 0.00 H new ATOM 0 HB3 PRO A 83 81.172 -22.200 -2.017 1.00 0.00 H new ATOM 0 HG2 PRO A 83 82.473 -22.694 0.639 1.00 0.00 H new ATOM 0 HG3 PRO A 83 82.710 -23.533 -0.881 1.00 0.00 H new ATOM 0 HD2 PRO A 83 84.541 -21.761 -0.019 1.00 0.00 H new ATOM 0 HD3 PRO A 83 84.165 -21.868 -1.727 1.00 0.00 H new ATOM 1565 N GLY A 84 80.349 -18.494 -0.209 1.00 0.00 N ATOM 1566 CA GLY A 84 79.512 -17.765 0.719 1.00 0.00 C ATOM 1567 C GLY A 84 80.296 -16.824 1.615 1.00 0.00 C ATOM 1568 O GLY A 84 79.743 -16.261 2.561 1.00 0.00 O ATOM 0 H GLY A 84 80.491 -18.034 -1.109 1.00 0.00 H new ATOM 0 HA2 GLY A 84 78.773 -17.192 0.159 1.00 0.00 H new ATOM 0 HA3 GLY A 84 78.963 -18.474 1.339 1.00 0.00 H new ATOM 1572 N GLN A 85 81.580 -16.656 1.328 1.00 0.00 N ATOM 1573 CA GLN A 85 82.425 -15.772 2.119 1.00 0.00 C ATOM 1574 C GLN A 85 83.172 -14.782 1.236 1.00 0.00 C ATOM 1575 O GLN A 85 84.061 -15.154 0.462 1.00 0.00 O ATOM 1576 CB GLN A 85 83.427 -16.568 2.959 1.00 0.00 C ATOM 1577 CG GLN A 85 82.786 -17.385 4.068 1.00 0.00 C ATOM 1578 CD GLN A 85 83.812 -17.950 5.031 1.00 0.00 C ATOM 1579 OE1 GLN A 85 84.950 -18.225 4.654 1.00 0.00 O ATOM 1580 NE2 GLN A 85 83.422 -18.120 6.283 1.00 0.00 N ATOM 0 H GLN A 85 82.058 -17.119 0.555 1.00 0.00 H new ATOM 0 HA GLN A 85 81.767 -15.217 2.788 1.00 0.00 H new ATOM 0 HB2 GLN A 85 83.985 -17.237 2.304 1.00 0.00 H new ATOM 0 HB3 GLN A 85 84.147 -15.878 3.399 1.00 0.00 H new ATOM 0 HG2 GLN A 85 82.081 -16.760 4.616 1.00 0.00 H new ATOM 0 HG3 GLN A 85 82.213 -18.202 3.630 1.00 0.00 H new ATOM 0 HE21 GLN A 85 82.469 -17.880 6.557 1.00 0.00 H new ATOM 0 HE22 GLN A 85 84.074 -18.491 6.974 1.00 0.00 H new ATOM 1589 N PHE A 86 82.809 -13.517 1.364 1.00 0.00 N ATOM 1590 CA PHE A 86 83.464 -12.455 0.624 1.00 0.00 C ATOM 1591 C PHE A 86 84.607 -11.882 1.451 1.00 0.00 C ATOM 1592 O PHE A 86 84.460 -11.657 2.653 1.00 0.00 O ATOM 1593 CB PHE A 86 82.467 -11.350 0.267 1.00 0.00 C ATOM 1594 CG PHE A 86 81.322 -11.823 -0.583 1.00 0.00 C ATOM 1595 CD1 PHE A 86 81.448 -11.894 -1.959 1.00 0.00 C ATOM 1596 CD2 PHE A 86 80.121 -12.197 -0.003 1.00 0.00 C ATOM 1597 CE1 PHE A 86 80.397 -12.329 -2.743 1.00 0.00 C ATOM 1598 CE2 PHE A 86 79.066 -12.633 -0.781 1.00 0.00 C ATOM 1599 CZ PHE A 86 79.205 -12.699 -2.153 1.00 0.00 C ATOM 0 H PHE A 86 82.059 -13.200 1.978 1.00 0.00 H new ATOM 0 HA PHE A 86 83.862 -12.869 -0.303 1.00 0.00 H new ATOM 0 HB2 PHE A 86 82.072 -10.918 1.186 1.00 0.00 H new ATOM 0 HB3 PHE A 86 82.994 -10.553 -0.258 1.00 0.00 H new ATOM 0 HD1 PHE A 86 82.379 -11.606 -2.425 1.00 0.00 H new ATOM 0 HD2 PHE A 86 80.008 -12.147 1.070 1.00 0.00 H new ATOM 0 HE1 PHE A 86 80.508 -12.380 -3.816 1.00 0.00 H new ATOM 0 HE2 PHE A 86 78.134 -12.922 -0.317 1.00 0.00 H new ATOM 0 HZ PHE A 86 78.382 -13.040 -2.764 1.00 0.00 H new ATOM 1609 N HIS A 87 85.746 -11.672 0.812 1.00 0.00 N ATOM 1610 CA HIS A 87 86.923 -11.145 1.490 1.00 0.00 C ATOM 1611 C HIS A 87 87.463 -9.937 0.747 1.00 0.00 C ATOM 1612 O HIS A 87 87.371 -9.865 -0.479 1.00 0.00 O ATOM 1613 CB HIS A 87 88.034 -12.197 1.578 1.00 0.00 C ATOM 1614 CG HIS A 87 87.719 -13.376 2.442 1.00 0.00 C ATOM 1615 ND1 HIS A 87 88.210 -13.521 3.718 1.00 0.00 N ATOM 1616 CD2 HIS A 87 86.993 -14.487 2.193 1.00 0.00 C ATOM 1617 CE1 HIS A 87 87.800 -14.671 4.214 1.00 0.00 C ATOM 1618 NE2 HIS A 87 87.063 -15.286 3.306 1.00 0.00 N ATOM 0 H HIS A 87 85.883 -11.859 -0.181 1.00 0.00 H new ATOM 0 HA HIS A 87 86.617 -10.862 2.497 1.00 0.00 H new ATOM 0 HB2 HIS A 87 88.258 -12.552 0.572 1.00 0.00 H new ATOM 0 HB3 HIS A 87 88.938 -11.719 1.956 1.00 0.00 H new ATOM 0 HD2 HIS A 87 86.455 -14.707 1.283 1.00 0.00 H new ATOM 0 HE1 HIS A 87 88.029 -15.048 5.200 1.00 0.00 H new ATOM 0 HE2 HIS A 87 86.621 -16.199 3.414 1.00 0.00 H new ATOM 1627 N PHE A 88 88.020 -8.996 1.490 1.00 0.00 N ATOM 1628 CA PHE A 88 88.696 -7.858 0.895 1.00 0.00 C ATOM 1629 C PHE A 88 90.109 -8.256 0.497 1.00 0.00 C ATOM 1630 O PHE A 88 90.877 -8.751 1.325 1.00 0.00 O ATOM 1631 CB PHE A 88 88.744 -6.683 1.870 1.00 0.00 C ATOM 1632 CG PHE A 88 87.399 -6.090 2.182 1.00 0.00 C ATOM 1633 CD1 PHE A 88 86.843 -5.136 1.347 1.00 0.00 C ATOM 1634 CD2 PHE A 88 86.696 -6.480 3.312 1.00 0.00 C ATOM 1635 CE1 PHE A 88 85.610 -4.580 1.631 1.00 0.00 C ATOM 1636 CE2 PHE A 88 85.463 -5.927 3.601 1.00 0.00 C ATOM 1637 CZ PHE A 88 84.920 -4.977 2.759 1.00 0.00 C ATOM 0 H PHE A 88 88.017 -8.999 2.510 1.00 0.00 H new ATOM 0 HA PHE A 88 88.140 -7.547 0.011 1.00 0.00 H new ATOM 0 HB2 PHE A 88 89.208 -7.014 2.799 1.00 0.00 H new ATOM 0 HB3 PHE A 88 89.384 -5.905 1.454 1.00 0.00 H new ATOM 0 HD1 PHE A 88 87.379 -4.823 0.463 1.00 0.00 H new ATOM 0 HD2 PHE A 88 87.116 -7.224 3.973 1.00 0.00 H new ATOM 0 HE1 PHE A 88 85.187 -3.836 0.972 1.00 0.00 H new ATOM 0 HE2 PHE A 88 84.925 -6.238 4.484 1.00 0.00 H new ATOM 0 HZ PHE A 88 83.956 -4.545 2.983 1.00 0.00 H new ATOM 1647 N ILE A 89 90.442 -8.048 -0.763 1.00 0.00 N ATOM 1648 CA ILE A 89 91.760 -8.389 -1.268 1.00 0.00 C ATOM 1649 C ILE A 89 92.561 -7.126 -1.541 1.00 0.00 C ATOM 1650 O ILE A 89 92.004 -6.087 -1.906 1.00 0.00 O ATOM 1651 CB ILE A 89 91.686 -9.237 -2.559 1.00 0.00 C ATOM 1652 CG1 ILE A 89 90.899 -8.504 -3.651 1.00 0.00 C ATOM 1653 CG2 ILE A 89 91.064 -10.596 -2.263 1.00 0.00 C ATOM 1654 CD1 ILE A 89 90.863 -9.235 -4.978 1.00 0.00 C ATOM 0 H ILE A 89 89.816 -7.643 -1.459 1.00 0.00 H new ATOM 0 HA ILE A 89 92.254 -8.985 -0.500 1.00 0.00 H new ATOM 0 HB ILE A 89 92.700 -9.393 -2.927 1.00 0.00 H new ATOM 0 HG12 ILE A 89 89.877 -8.348 -3.306 1.00 0.00 H new ATOM 0 HG13 ILE A 89 91.339 -7.518 -3.802 1.00 0.00 H new ATOM 0 HG21 ILE A 89 91.018 -11.183 -3.180 1.00 0.00 H new ATOM 0 HG22 ILE A 89 91.672 -11.122 -1.526 1.00 0.00 H new ATOM 0 HG23 ILE A 89 90.057 -10.457 -1.870 1.00 0.00 H new ATOM 0 HD11 ILE A 89 90.288 -8.653 -5.698 1.00 0.00 H new ATOM 0 HD12 ILE A 89 91.880 -9.368 -5.348 1.00 0.00 H new ATOM 0 HD13 ILE A 89 90.395 -10.210 -4.844 1.00 0.00 H new ATOM 1666 N PHE A 90 93.864 -7.217 -1.341 1.00 0.00 N ATOM 1667 CA PHE A 90 94.747 -6.081 -1.523 1.00 0.00 C ATOM 1668 C PHE A 90 95.659 -6.314 -2.715 1.00 0.00 C ATOM 1669 O PHE A 90 96.630 -7.068 -2.633 1.00 0.00 O ATOM 1670 CB PHE A 90 95.575 -5.843 -0.259 1.00 0.00 C ATOM 1671 CG PHE A 90 94.744 -5.627 0.974 1.00 0.00 C ATOM 1672 CD1 PHE A 90 94.319 -6.704 1.738 1.00 0.00 C ATOM 1673 CD2 PHE A 90 94.386 -4.349 1.367 1.00 0.00 C ATOM 1674 CE1 PHE A 90 93.553 -6.507 2.872 1.00 0.00 C ATOM 1675 CE2 PHE A 90 93.621 -4.146 2.500 1.00 0.00 C ATOM 1676 CZ PHE A 90 93.204 -5.228 3.252 1.00 0.00 C ATOM 0 H PHE A 90 94.336 -8.073 -1.050 1.00 0.00 H new ATOM 0 HA PHE A 90 94.142 -5.194 -1.713 1.00 0.00 H new ATOM 0 HB2 PHE A 90 96.232 -6.698 -0.099 1.00 0.00 H new ATOM 0 HB3 PHE A 90 96.215 -4.974 -0.412 1.00 0.00 H new ATOM 0 HD1 PHE A 90 94.589 -7.707 1.444 1.00 0.00 H new ATOM 0 HD2 PHE A 90 94.708 -3.501 0.781 1.00 0.00 H new ATOM 0 HE1 PHE A 90 93.228 -7.353 3.459 1.00 0.00 H new ATOM 0 HE2 PHE A 90 93.350 -3.144 2.797 1.00 0.00 H new ATOM 0 HZ PHE A 90 92.605 -5.072 4.137 1.00 0.00 H new ATOM 1686 N LEU A 91 95.332 -5.683 -3.825 1.00 0.00 N ATOM 1687 CA LEU A 91 96.085 -5.858 -5.052 1.00 0.00 C ATOM 1688 C LEU A 91 97.060 -4.710 -5.255 1.00 0.00 C ATOM 1689 O LEU A 91 96.678 -3.544 -5.222 1.00 0.00 O ATOM 1690 CB LEU A 91 95.136 -5.962 -6.245 1.00 0.00 C ATOM 1691 CG LEU A 91 94.247 -7.204 -6.256 1.00 0.00 C ATOM 1692 CD1 LEU A 91 93.251 -7.139 -7.404 1.00 0.00 C ATOM 1693 CD2 LEU A 91 95.093 -8.466 -6.358 1.00 0.00 C ATOM 0 H LEU A 91 94.544 -5.040 -3.903 1.00 0.00 H new ATOM 0 HA LEU A 91 96.656 -6.783 -4.974 1.00 0.00 H new ATOM 0 HB2 LEU A 91 94.499 -5.078 -6.262 1.00 0.00 H new ATOM 0 HB3 LEU A 91 95.726 -5.948 -7.162 1.00 0.00 H new ATOM 0 HG LEU A 91 93.691 -7.235 -5.319 1.00 0.00 H new ATOM 0 HD11 LEU A 91 92.627 -8.032 -7.395 1.00 0.00 H new ATOM 0 HD12 LEU A 91 92.622 -6.256 -7.291 1.00 0.00 H new ATOM 0 HD13 LEU A 91 93.789 -7.082 -8.350 1.00 0.00 H new ATOM 0 HD21 LEU A 91 94.442 -9.341 -6.364 1.00 0.00 H new ATOM 0 HD22 LEU A 91 95.675 -8.440 -7.279 1.00 0.00 H new ATOM 0 HD23 LEU A 91 95.768 -8.522 -5.504 1.00 0.00 H new ATOM 1705 N ASN A 92 98.321 -5.050 -5.452 1.00 0.00 N ATOM 1706 CA ASN A 92 99.359 -4.054 -5.681 1.00 0.00 C ATOM 1707 C ASN A 92 100.222 -4.451 -6.875 1.00 0.00 C ATOM 1708 O ASN A 92 100.721 -5.573 -6.946 1.00 0.00 O ATOM 1709 CB ASN A 92 100.229 -3.861 -4.430 1.00 0.00 C ATOM 1710 CG ASN A 92 100.744 -5.168 -3.859 1.00 0.00 C ATOM 1711 OD1 ASN A 92 101.753 -5.706 -4.310 1.00 0.00 O ATOM 1712 ND2 ASN A 92 100.067 -5.677 -2.842 1.00 0.00 N ATOM 0 H ASN A 92 98.655 -6.014 -5.458 1.00 0.00 H new ATOM 0 HA ASN A 92 98.872 -3.104 -5.901 1.00 0.00 H new ATOM 0 HB2 ASN A 92 101.075 -3.221 -4.678 1.00 0.00 H new ATOM 0 HB3 ASN A 92 99.649 -3.341 -3.667 1.00 0.00 H new ATOM 0 HD21 ASN A 92 100.378 -6.545 -2.405 1.00 0.00 H new ATOM 0 HD22 ASN A 92 99.234 -5.202 -2.495 1.00 0.00 H new