USER MOD reduce.3.24.130724 H: found=0, std=0, add=641, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 644 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 49 HIS : no HD1:sc= -0.0302 X(o=-0.37,f=-0.057) USER MOD Set 1.2: A 112 GLN : amide:sc= -0.337 X(o=-0.37,f=-0.057) USER MOD Set 2.1: A 105 ASN : amide:sc= -1.31 K(o=-1.2,f=0.064) USER MOD Set 2.2: A 109 THR OG1 : rot 75:sc= 0.0925 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 LYS NZ :NH3+ 158:sc= 0.166 (180deg=0.0575) USER MOD Single : A 28 CYS SG : rot 180:sc= 0 USER MOD Single : A 34 THR OG1 : rot 180:sc= -0.0398 USER MOD Single : A 35 SER OG : rot 180:sc= 0.0488 USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ -168:sc= -0.44 (180deg=-0.693) USER MOD Single : A 46 CYS SG : rot 59:sc= -0.9 USER MOD Single : A 47 GLN : amide:sc= -0.256 X(o=-0.26,f=-0.017) USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 50 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 57 GLN : amide:sc= -0.0158 K(o=-0.016,f=-2.4!) USER MOD Single : A 58 CYS SG : rot 120:sc= -1.57 USER MOD Single : A 61 ASN : amide:sc= -0.103 X(o=-0.1,f=-0.6) USER MOD Single : A 65 THR OG1 : rot -16:sc= 0.726 USER MOD Single : A 66 TYR OH : rot 180:sc= 0 USER MOD Single : A 67 MET CE :methyl -116:sc= -0.184 (180deg=-2.61!) USER MOD Single : A 71 HIS : no HD1:sc= -6.11! C(o=-6.1!,f=-5.7!) USER MOD Single : A 74 CYS SG : rot 180:sc= 0 USER MOD Single : A 75 THR OG1 : rot 143:sc= -0.658 USER MOD Single : A 76 THR OG1 : rot 180:sc= 0 USER MOD Single : A 90 HIS : no HD1:sc= -1.61 K(o=-1.6,f=0.43) USER MOD Single : A 92 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 96 SER OG : rot 116:sc= -1.5! USER MOD Single : A 104 GLN : amide:sc= -0.862 K(o=-0.86,f=-1.8!) USER MOD Single : A 106 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 317 N LYS A 21 3.225 -1.571 -3.457 1.00 0.00 N ATOM 318 CA LYS A 21 3.166 -1.469 -2.001 1.00 0.00 C ATOM 319 C LYS A 21 1.754 -1.743 -1.486 1.00 0.00 C ATOM 320 O LYS A 21 1.446 -2.859 -1.066 1.00 0.00 O ATOM 321 CB LYS A 21 3.647 -0.088 -1.535 1.00 0.00 C ATOM 322 CG LYS A 21 4.776 0.487 -2.375 1.00 0.00 C ATOM 323 CD LYS A 21 4.975 1.968 -2.097 1.00 0.00 C ATOM 324 CE LYS A 21 5.473 2.207 -0.681 1.00 0.00 C ATOM 325 NZ LYS A 21 6.958 2.161 -0.603 1.00 0.00 N ATOM 0 HA LYS A 21 3.831 -2.227 -1.586 1.00 0.00 H new ATOM 0 HB2 LYS A 21 2.805 0.604 -1.553 1.00 0.00 H new ATOM 0 HB3 LYS A 21 3.978 -0.160 -0.499 1.00 0.00 H new ATOM 0 HG2 LYS A 21 5.700 -0.052 -2.164 1.00 0.00 H new ATOM 0 HG3 LYS A 21 4.556 0.340 -3.432 1.00 0.00 H new ATOM 0 HD2 LYS A 21 5.690 2.380 -2.810 1.00 0.00 H new ATOM 0 HD3 LYS A 21 4.034 2.497 -2.247 1.00 0.00 H new ATOM 0 HE2 LYS A 21 5.120 3.177 -0.330 1.00 0.00 H new ATOM 0 HE3 LYS A 21 5.050 1.455 -0.015 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 7.259 2.328 0.378 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 7.293 1.227 -0.914 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 7.361 2.896 -1.219 1.00 0.00 H new ATOM 339 N ARG A 22 0.898 -0.723 -1.511 1.00 0.00 N ATOM 340 CA ARG A 22 -0.475 -0.864 -1.039 1.00 0.00 C ATOM 341 C ARG A 22 -1.458 -0.654 -2.186 1.00 0.00 C ATOM 342 O ARG A 22 -1.196 0.124 -3.103 1.00 0.00 O ATOM 343 CB ARG A 22 -0.751 0.148 0.077 1.00 0.00 C ATOM 344 CG ARG A 22 0.336 0.195 1.138 1.00 0.00 C ATOM 345 CD ARG A 22 -0.209 0.660 2.480 1.00 0.00 C ATOM 346 NE ARG A 22 -0.714 2.032 2.430 1.00 0.00 N ATOM 347 CZ ARG A 22 -0.393 2.976 3.313 1.00 0.00 C ATOM 348 NH1 ARG A 22 0.469 2.723 4.292 1.00 0.00 N ATOM 349 NH2 ARG A 22 -0.935 4.184 3.218 1.00 0.00 N ATOM 0 H ARG A 22 1.132 0.209 -1.853 1.00 0.00 H new ATOM 0 HA ARG A 22 -0.606 -1.873 -0.648 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -0.862 1.139 -0.362 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -1.701 -0.098 0.552 1.00 0.00 H new ATOM 0 HG2 ARG A 22 0.780 -0.794 1.248 1.00 0.00 H new ATOM 0 HG3 ARG A 22 1.131 0.867 0.815 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -1.010 -0.008 2.795 1.00 0.00 H new ATOM 0 HD3 ARG A 22 0.577 0.592 3.232 1.00 0.00 H new ATOM 0 HE ARG A 22 -1.351 2.281 1.673 1.00 0.00 H new ATOM 0 HH11 ARG A 22 0.892 1.798 4.373 1.00 0.00 H new ATOM 0 HH12 ARG A 22 0.708 3.453 4.963 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -1.597 4.389 2.469 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -0.690 4.908 3.894 1.00 0.00 H new ATOM 363 N LYS A 23 -2.589 -1.351 -2.133 1.00 0.00 N ATOM 364 CA LYS A 23 -3.599 -1.234 -3.177 1.00 0.00 C ATOM 365 C LYS A 23 -4.985 -1.023 -2.576 1.00 0.00 C ATOM 366 O LYS A 23 -5.547 -1.927 -1.958 1.00 0.00 O ATOM 367 CB LYS A 23 -3.587 -2.480 -4.063 1.00 0.00 C ATOM 368 CG LYS A 23 -3.161 -2.193 -5.493 1.00 0.00 C ATOM 369 CD LYS A 23 -2.201 -3.248 -6.025 1.00 0.00 C ATOM 370 CE LYS A 23 -2.796 -4.646 -5.946 1.00 0.00 C ATOM 371 NZ LYS A 23 -3.537 -5.008 -7.186 1.00 0.00 N ATOM 0 H LYS A 23 -2.828 -1.999 -1.382 1.00 0.00 H new ATOM 0 HA LYS A 23 -3.360 -0.363 -3.788 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -2.912 -3.219 -3.631 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -4.583 -2.923 -4.069 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -4.043 -2.150 -6.132 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -2.685 -1.213 -5.540 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -1.947 -3.019 -7.060 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -1.273 -3.215 -5.454 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -1.999 -5.370 -5.775 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -3.469 -4.706 -5.091 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -3.602 -6.043 -7.262 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -4.494 -4.602 -7.149 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -3.033 -4.631 -8.014 1.00 0.00 H new ATOM 385 N ILE A 24 -5.531 0.175 -2.763 1.00 0.00 N ATOM 386 CA ILE A 24 -6.852 0.505 -2.236 1.00 0.00 C ATOM 387 C ILE A 24 -7.928 0.262 -3.285 1.00 0.00 C ATOM 388 O ILE A 24 -7.674 0.384 -4.482 1.00 0.00 O ATOM 389 CB ILE A 24 -6.925 1.973 -1.768 1.00 0.00 C ATOM 390 CG1 ILE A 24 -5.673 2.343 -0.970 1.00 0.00 C ATOM 391 CG2 ILE A 24 -8.178 2.211 -0.935 1.00 0.00 C ATOM 392 CD1 ILE A 24 -4.504 2.757 -1.834 1.00 0.00 C ATOM 0 H ILE A 24 -5.080 0.933 -3.275 1.00 0.00 H new ATOM 0 HA ILE A 24 -7.025 -0.145 -1.378 1.00 0.00 H new ATOM 0 HB ILE A 24 -6.975 2.611 -2.650 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -5.915 3.157 -0.287 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -5.378 1.491 -0.358 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -8.210 3.253 -0.615 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -9.061 1.988 -1.534 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -8.161 1.563 -0.059 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -3.653 3.005 -1.200 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -4.235 1.937 -2.499 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -4.781 3.629 -2.427 1.00 0.00 H new ATOM 404 N ILE A 25 -9.130 -0.081 -2.835 1.00 0.00 N ATOM 405 CA ILE A 25 -10.245 -0.340 -3.733 1.00 0.00 C ATOM 406 C ILE A 25 -11.438 0.537 -3.364 1.00 0.00 C ATOM 407 O ILE A 25 -11.667 0.827 -2.190 1.00 0.00 O ATOM 408 CB ILE A 25 -10.659 -1.820 -3.692 1.00 0.00 C ATOM 409 CG1 ILE A 25 -11.819 -2.096 -4.644 1.00 0.00 C ATOM 410 CG2 ILE A 25 -11.032 -2.218 -2.280 1.00 0.00 C ATOM 411 CD1 ILE A 25 -11.382 -2.345 -6.061 1.00 0.00 C ATOM 0 H ILE A 25 -9.356 -0.186 -1.846 1.00 0.00 H new ATOM 0 HA ILE A 25 -9.920 -0.100 -4.745 1.00 0.00 H new ATOM 0 HB ILE A 25 -9.808 -2.419 -4.018 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -12.375 -2.962 -4.286 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -12.504 -1.248 -4.626 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -11.324 -3.268 -2.263 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -10.176 -2.068 -1.622 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -11.865 -1.605 -1.937 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -12.257 -2.534 -6.684 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -10.851 -1.470 -6.437 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -10.721 -3.211 -6.091 1.00 0.00 H new ATOM 423 N VAL A 26 -12.200 0.959 -4.367 1.00 0.00 N ATOM 424 CA VAL A 26 -13.369 1.798 -4.134 1.00 0.00 C ATOM 425 C VAL A 26 -14.621 1.166 -4.727 1.00 0.00 C ATOM 426 O VAL A 26 -14.722 0.988 -5.941 1.00 0.00 O ATOM 427 CB VAL A 26 -13.179 3.201 -4.737 1.00 0.00 C ATOM 428 CG1 VAL A 26 -12.071 3.944 -4.008 1.00 0.00 C ATOM 429 CG2 VAL A 26 -12.880 3.105 -6.227 1.00 0.00 C ATOM 0 H VAL A 26 -12.029 0.734 -5.347 1.00 0.00 H new ATOM 0 HA VAL A 26 -13.487 1.889 -3.054 1.00 0.00 H new ATOM 0 HB VAL A 26 -14.105 3.762 -4.613 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -11.948 4.935 -4.446 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -12.331 4.043 -2.954 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -11.138 3.388 -4.101 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -12.749 4.106 -6.637 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -11.968 2.528 -6.379 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -13.710 2.612 -6.734 1.00 0.00 H new ATOM 439 N ALA A 27 -15.572 0.822 -3.865 1.00 0.00 N ATOM 440 CA ALA A 27 -16.811 0.205 -4.316 1.00 0.00 C ATOM 441 C ALA A 27 -18.021 1.061 -3.961 1.00 0.00 C ATOM 442 O ALA A 27 -18.240 1.397 -2.798 1.00 0.00 O ATOM 443 CB ALA A 27 -16.948 -1.190 -3.723 1.00 0.00 C ATOM 0 H ALA A 27 -15.508 0.959 -2.856 1.00 0.00 H new ATOM 0 HA ALA A 27 -16.773 0.125 -5.402 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -17.878 -1.642 -4.067 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -16.106 -1.805 -4.041 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -16.958 -1.124 -2.635 1.00 0.00 H new ATOM 449 N CYS A 28 -18.798 1.418 -4.978 1.00 0.00 N ATOM 450 CA CYS A 28 -19.983 2.245 -4.776 1.00 0.00 C ATOM 451 C CYS A 28 -20.931 2.149 -5.968 1.00 0.00 C ATOM 452 O CYS A 28 -20.516 1.821 -7.079 1.00 0.00 O ATOM 453 CB CYS A 28 -19.575 3.703 -4.543 1.00 0.00 C ATOM 454 SG CYS A 28 -19.877 4.298 -2.862 1.00 0.00 S ATOM 0 H CYS A 28 -18.630 1.149 -5.947 1.00 0.00 H new ATOM 0 HA CYS A 28 -20.508 1.875 -3.895 1.00 0.00 H new ATOM 0 HB2 CYS A 28 -18.515 3.812 -4.770 1.00 0.00 H new ATOM 0 HB3 CYS A 28 -20.118 4.337 -5.244 1.00 0.00 H new ATOM 0 HG CYS A 28 -19.497 5.538 -2.766 1.00 0.00 H new ATOM 510 N THR A 34 -18.615 11.502 -7.672 1.00 0.00 N ATOM 511 CA THR A 34 -17.975 11.148 -6.408 1.00 0.00 C ATOM 512 C THR A 34 -16.667 10.398 -6.651 1.00 0.00 C ATOM 513 O THR A 34 -15.675 10.623 -5.960 1.00 0.00 O ATOM 514 CB THR A 34 -18.903 10.295 -5.537 1.00 0.00 C ATOM 515 OG1 THR A 34 -18.955 8.965 -6.014 1.00 0.00 O ATOM 516 CG2 THR A 34 -20.324 10.813 -5.466 1.00 0.00 C ATOM 0 HA THR A 34 -17.759 12.078 -5.882 1.00 0.00 H new ATOM 0 HB THR A 34 -18.473 10.344 -4.537 1.00 0.00 H new ATOM 0 HG1 THR A 34 -19.551 8.436 -5.444 1.00 0.00 H new ATOM 0 HG21 THR A 34 -20.919 10.156 -4.832 1.00 0.00 H new ATOM 0 HG22 THR A 34 -20.324 11.820 -5.048 1.00 0.00 H new ATOM 0 HG23 THR A 34 -20.753 10.836 -6.468 1.00 0.00 H new ATOM 524 N SER A 35 -16.674 9.504 -7.639 1.00 0.00 N ATOM 525 CA SER A 35 -15.485 8.725 -7.969 1.00 0.00 C ATOM 526 C SER A 35 -14.309 9.640 -8.281 1.00 0.00 C ATOM 527 O SER A 35 -13.211 9.456 -7.758 1.00 0.00 O ATOM 528 CB SER A 35 -15.761 7.812 -9.167 1.00 0.00 C ATOM 529 OG SER A 35 -17.120 7.411 -9.200 1.00 0.00 O ATOM 0 H SER A 35 -17.487 9.303 -8.222 1.00 0.00 H new ATOM 0 HA SER A 35 -15.232 8.113 -7.104 1.00 0.00 H new ATOM 0 HB2 SER A 35 -15.510 8.333 -10.091 1.00 0.00 H new ATOM 0 HB3 SER A 35 -15.120 6.932 -9.113 1.00 0.00 H new ATOM 0 HG SER A 35 -17.271 6.830 -9.975 1.00 0.00 H new ATOM 535 N THR A 36 -14.549 10.629 -9.133 1.00 0.00 N ATOM 536 CA THR A 36 -13.512 11.576 -9.512 1.00 0.00 C ATOM 537 C THR A 36 -13.028 12.360 -8.296 1.00 0.00 C ATOM 538 O THR A 36 -11.836 12.618 -8.151 1.00 0.00 O ATOM 539 CB THR A 36 -14.034 12.535 -10.583 1.00 0.00 C ATOM 540 OG1 THR A 36 -14.720 11.825 -11.599 1.00 0.00 O ATOM 541 CG2 THR A 36 -12.943 13.346 -11.249 1.00 0.00 C ATOM 0 H THR A 36 -15.454 10.795 -9.574 1.00 0.00 H new ATOM 0 HA THR A 36 -12.670 11.017 -9.920 1.00 0.00 H new ATOM 0 HB THR A 36 -14.700 13.218 -10.056 1.00 0.00 H new ATOM 0 HG1 THR A 36 -15.048 12.455 -12.274 1.00 0.00 H new ATOM 0 HG21 THR A 36 -13.384 14.004 -11.997 1.00 0.00 H new ATOM 0 HG22 THR A 36 -12.425 13.944 -10.499 1.00 0.00 H new ATOM 0 HG23 THR A 36 -12.233 12.674 -11.731 1.00 0.00 H new ATOM 549 N MET A 37 -13.961 12.731 -7.424 1.00 0.00 N ATOM 550 CA MET A 37 -13.625 13.485 -6.221 1.00 0.00 C ATOM 551 C MET A 37 -12.698 12.686 -5.309 1.00 0.00 C ATOM 552 O MET A 37 -11.627 13.160 -4.929 1.00 0.00 O ATOM 553 CB MET A 37 -14.900 13.868 -5.464 1.00 0.00 C ATOM 554 CG MET A 37 -15.120 15.368 -5.365 1.00 0.00 C ATOM 555 SD MET A 37 -16.225 15.994 -6.643 1.00 0.00 S ATOM 556 CE MET A 37 -16.378 17.709 -6.149 1.00 0.00 C ATOM 0 H MET A 37 -14.954 12.522 -7.528 1.00 0.00 H new ATOM 0 HA MET A 37 -13.103 14.391 -6.528 1.00 0.00 H new ATOM 0 HB2 MET A 37 -15.758 13.415 -5.961 1.00 0.00 H new ATOM 0 HB3 MET A 37 -14.856 13.448 -4.459 1.00 0.00 H new ATOM 0 HG2 MET A 37 -15.533 15.607 -4.385 1.00 0.00 H new ATOM 0 HG3 MET A 37 -14.159 15.878 -5.439 1.00 0.00 H new ATOM 0 HE1 MET A 37 -17.034 18.231 -6.846 1.00 0.00 H new ATOM 0 HE2 MET A 37 -16.799 17.762 -5.145 1.00 0.00 H new ATOM 0 HE3 MET A 37 -15.394 18.179 -6.155 1.00 0.00 H new ATOM 566 N ALA A 38 -13.115 11.474 -4.959 1.00 0.00 N ATOM 567 CA ALA A 38 -12.318 10.615 -4.089 1.00 0.00 C ATOM 568 C ALA A 38 -10.957 10.318 -4.709 1.00 0.00 C ATOM 569 O ALA A 38 -9.920 10.510 -4.076 1.00 0.00 O ATOM 570 CB ALA A 38 -13.063 9.321 -3.798 1.00 0.00 C ATOM 0 H ALA A 38 -13.998 11.064 -5.263 1.00 0.00 H new ATOM 0 HA ALA A 38 -12.152 11.144 -3.150 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -12.457 8.690 -3.148 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -14.008 9.548 -3.304 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -13.259 8.796 -4.733 1.00 0.00 H new ATOM 576 N ALA A 39 -10.969 9.850 -5.951 1.00 0.00 N ATOM 577 CA ALA A 39 -9.735 9.527 -6.656 1.00 0.00 C ATOM 578 C ALA A 39 -8.782 10.722 -6.677 1.00 0.00 C ATOM 579 O ALA A 39 -7.633 10.615 -6.247 1.00 0.00 O ATOM 580 CB ALA A 39 -10.035 9.059 -8.073 1.00 0.00 C ATOM 0 H ALA A 39 -11.819 9.686 -6.490 1.00 0.00 H new ATOM 0 HA ALA A 39 -9.245 8.715 -6.118 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -9.101 8.823 -8.583 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -10.664 8.170 -8.037 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -10.555 9.849 -8.615 1.00 0.00 H new ATOM 586 N GLU A 40 -9.267 11.860 -7.169 1.00 0.00 N ATOM 587 CA GLU A 40 -8.454 13.072 -7.237 1.00 0.00 C ATOM 588 C GLU A 40 -7.925 13.458 -5.858 1.00 0.00 C ATOM 589 O GLU A 40 -6.767 13.846 -5.715 1.00 0.00 O ATOM 590 CB GLU A 40 -9.267 14.232 -7.822 1.00 0.00 C ATOM 591 CG GLU A 40 -8.756 14.716 -9.170 1.00 0.00 C ATOM 592 CD GLU A 40 -9.411 13.996 -10.333 1.00 0.00 C ATOM 593 OE1 GLU A 40 -9.926 12.877 -10.124 1.00 0.00 O ATOM 594 OE2 GLU A 40 -9.407 14.551 -11.451 1.00 0.00 O ATOM 0 H GLU A 40 -10.216 11.968 -7.526 1.00 0.00 H new ATOM 0 HA GLU A 40 -7.605 12.865 -7.889 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -10.306 13.919 -7.928 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -9.255 15.064 -7.118 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -8.939 15.787 -9.261 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -7.677 14.571 -9.219 1.00 0.00 H new ATOM 601 N GLU A 41 -8.782 13.353 -4.847 1.00 0.00 N ATOM 602 CA GLU A 41 -8.398 13.697 -3.483 1.00 0.00 C ATOM 603 C GLU A 41 -7.325 12.750 -2.957 1.00 0.00 C ATOM 604 O GLU A 41 -6.269 13.184 -2.490 1.00 0.00 O ATOM 605 CB GLU A 41 -9.621 13.664 -2.563 1.00 0.00 C ATOM 606 CG GLU A 41 -10.374 14.984 -2.505 1.00 0.00 C ATOM 607 CD GLU A 41 -11.029 15.220 -1.158 1.00 0.00 C ATOM 608 OE1 GLU A 41 -10.294 15.415 -0.167 1.00 0.00 O ATOM 609 OE2 GLU A 41 -12.276 15.213 -1.095 1.00 0.00 O ATOM 0 H GLU A 41 -9.745 13.033 -4.947 1.00 0.00 H new ATOM 0 HA GLU A 41 -7.986 14.706 -3.495 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -10.300 12.882 -2.903 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -9.301 13.393 -1.557 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -9.685 15.801 -2.719 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -11.137 14.998 -3.284 1.00 0.00 H new ATOM 616 N ILE A 42 -7.596 11.452 -3.038 1.00 0.00 N ATOM 617 CA ILE A 42 -6.651 10.447 -2.569 1.00 0.00 C ATOM 618 C ILE A 42 -5.345 10.520 -3.354 1.00 0.00 C ATOM 619 O ILE A 42 -4.259 10.420 -2.782 1.00 0.00 O ATOM 620 CB ILE A 42 -7.234 9.025 -2.687 1.00 0.00 C ATOM 621 CG1 ILE A 42 -8.582 8.939 -1.967 1.00 0.00 C ATOM 622 CG2 ILE A 42 -6.263 7.999 -2.119 1.00 0.00 C ATOM 623 CD1 ILE A 42 -9.451 7.797 -2.445 1.00 0.00 C ATOM 0 H ILE A 42 -8.461 11.072 -3.423 1.00 0.00 H new ATOM 0 HA ILE A 42 -6.455 10.660 -1.518 1.00 0.00 H new ATOM 0 HB ILE A 42 -7.389 8.804 -3.743 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -8.407 8.828 -0.897 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -9.120 9.877 -2.106 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -6.692 7.001 -2.211 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -5.324 8.042 -2.671 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -6.076 8.218 -1.068 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -10.390 7.798 -1.891 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -9.657 7.917 -3.509 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -8.933 6.852 -2.280 1.00 0.00 H new ATOM 635 N LYS A 43 -5.457 10.701 -4.667 1.00 0.00 N ATOM 636 CA LYS A 43 -4.284 10.791 -5.530 1.00 0.00 C ATOM 637 C LYS A 43 -3.322 11.866 -5.032 1.00 0.00 C ATOM 638 O LYS A 43 -2.155 11.587 -4.751 1.00 0.00 O ATOM 639 CB LYS A 43 -4.704 11.095 -6.971 1.00 0.00 C ATOM 640 CG LYS A 43 -4.862 9.853 -7.836 1.00 0.00 C ATOM 641 CD LYS A 43 -6.083 9.954 -8.739 1.00 0.00 C ATOM 642 CE LYS A 43 -5.738 10.582 -10.081 1.00 0.00 C ATOM 643 NZ LYS A 43 -4.780 11.714 -9.940 1.00 0.00 N ATOM 0 H LYS A 43 -6.348 10.788 -5.156 1.00 0.00 H new ATOM 0 HA LYS A 43 -3.772 9.829 -5.504 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -5.648 11.640 -6.958 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -3.962 11.752 -7.426 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -3.968 9.716 -8.445 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -4.951 8.973 -7.199 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -6.501 8.960 -8.899 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -6.853 10.548 -8.246 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -5.309 9.824 -10.736 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -6.650 10.937 -10.560 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -4.728 12.239 -10.836 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -5.104 12.351 -9.184 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -3.838 11.344 -9.701 1.00 0.00 H new ATOM 657 N GLU A 44 -3.819 13.096 -4.923 1.00 0.00 N ATOM 658 CA GLU A 44 -3.001 14.212 -4.458 1.00 0.00 C ATOM 659 C GLU A 44 -2.353 13.890 -3.115 1.00 0.00 C ATOM 660 O GLU A 44 -1.231 14.313 -2.837 1.00 0.00 O ATOM 661 CB GLU A 44 -3.843 15.489 -4.351 1.00 0.00 C ATOM 662 CG GLU A 44 -4.863 15.476 -3.220 1.00 0.00 C ATOM 663 CD GLU A 44 -5.012 16.830 -2.553 1.00 0.00 C ATOM 664 OE1 GLU A 44 -4.496 17.825 -3.105 1.00 0.00 O ATOM 665 OE2 GLU A 44 -5.646 16.896 -1.478 1.00 0.00 O ATOM 0 H GLU A 44 -4.782 13.344 -5.150 1.00 0.00 H new ATOM 0 HA GLU A 44 -2.209 14.377 -5.188 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -3.175 16.339 -4.212 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -4.366 15.645 -5.294 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -5.830 15.160 -3.611 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -4.564 14.739 -2.475 1.00 0.00 H new ATOM 672 N LEU A 45 -3.071 13.141 -2.283 1.00 0.00 N ATOM 673 CA LEU A 45 -2.568 12.766 -0.969 1.00 0.00 C ATOM 674 C LEU A 45 -1.374 11.826 -1.086 1.00 0.00 C ATOM 675 O LEU A 45 -0.328 12.056 -0.479 1.00 0.00 O ATOM 676 CB LEU A 45 -3.678 12.109 -0.145 1.00 0.00 C ATOM 677 CG LEU A 45 -4.088 12.878 1.112 1.00 0.00 C ATOM 678 CD1 LEU A 45 -2.865 13.211 1.952 1.00 0.00 C ATOM 679 CD2 LEU A 45 -4.845 14.146 0.738 1.00 0.00 C ATOM 0 H LEU A 45 -4.002 12.783 -2.497 1.00 0.00 H new ATOM 0 HA LEU A 45 -2.238 13.673 -0.462 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -4.556 11.984 -0.779 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -3.351 11.111 0.148 1.00 0.00 H new ATOM 0 HG LEU A 45 -4.750 12.247 1.705 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -3.173 13.758 2.843 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -2.365 12.289 2.248 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -2.179 13.825 1.368 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -5.129 14.681 1.644 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -4.207 14.783 0.125 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -5.741 13.882 0.176 1.00 0.00 H new ATOM 691 N CYS A 46 -1.535 10.763 -1.869 1.00 0.00 N ATOM 692 CA CYS A 46 -0.468 9.786 -2.064 1.00 0.00 C ATOM 693 C CYS A 46 0.835 10.471 -2.465 1.00 0.00 C ATOM 694 O CYS A 46 1.918 10.065 -2.041 1.00 0.00 O ATOM 695 CB CYS A 46 -0.874 8.768 -3.130 1.00 0.00 C ATOM 696 SG CYS A 46 -2.386 7.856 -2.740 1.00 0.00 S ATOM 0 H CYS A 46 -2.394 10.556 -2.379 1.00 0.00 H new ATOM 0 HA CYS A 46 -0.305 9.269 -1.119 1.00 0.00 H new ATOM 0 HB2 CYS A 46 -1.009 9.286 -4.079 1.00 0.00 H new ATOM 0 HB3 CYS A 46 -0.059 8.057 -3.268 1.00 0.00 H new ATOM 0 HG CYS A 46 -3.368 8.693 -2.578 1.00 0.00 H new ATOM 702 N GLN A 47 0.723 11.513 -3.280 1.00 0.00 N ATOM 703 CA GLN A 47 1.892 12.257 -3.736 1.00 0.00 C ATOM 704 C GLN A 47 2.427 13.162 -2.627 1.00 0.00 C ATOM 705 O GLN A 47 3.616 13.480 -2.593 1.00 0.00 O ATOM 706 CB GLN A 47 1.541 13.092 -4.970 1.00 0.00 C ATOM 707 CG GLN A 47 2.153 12.564 -6.258 1.00 0.00 C ATOM 708 CD GLN A 47 1.522 13.174 -7.494 1.00 0.00 C ATOM 709 OE1 GLN A 47 2.214 13.719 -8.354 1.00 0.00 O ATOM 710 NE2 GLN A 47 0.200 13.083 -7.591 1.00 0.00 N ATOM 0 H GLN A 47 -0.165 11.862 -3.639 1.00 0.00 H new ATOM 0 HA GLN A 47 2.669 11.540 -4.001 1.00 0.00 H new ATOM 0 HB2 GLN A 47 0.457 13.125 -5.080 1.00 0.00 H new ATOM 0 HB3 GLN A 47 1.876 14.117 -4.812 1.00 0.00 H new ATOM 0 HG2 GLN A 47 3.223 12.772 -6.260 1.00 0.00 H new ATOM 0 HG3 GLN A 47 2.039 11.481 -6.293 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -0.335 12.623 -6.855 1.00 0.00 H new ATOM 0 HE22 GLN A 47 -0.280 13.474 -8.402 1.00 0.00 H new ATOM 719 N SER A 48 1.541 13.575 -1.725 1.00 0.00 N ATOM 720 CA SER A 48 1.924 14.445 -0.618 1.00 0.00 C ATOM 721 C SER A 48 3.004 13.799 0.241 1.00 0.00 C ATOM 722 O SER A 48 3.986 14.444 0.612 1.00 0.00 O ATOM 723 CB SER A 48 0.703 14.768 0.244 1.00 0.00 C ATOM 724 OG SER A 48 0.880 15.987 0.945 1.00 0.00 O ATOM 0 H SER A 48 0.553 13.321 -1.739 1.00 0.00 H new ATOM 0 HA SER A 48 2.325 15.367 -1.038 1.00 0.00 H new ATOM 0 HB2 SER A 48 -0.184 14.833 -0.386 1.00 0.00 H new ATOM 0 HB3 SER A 48 0.531 13.959 0.954 1.00 0.00 H new ATOM 0 HG SER A 48 0.085 16.171 1.487 1.00 0.00 H new ATOM 730 N HIS A 49 2.817 12.523 0.556 1.00 0.00 N ATOM 731 CA HIS A 49 3.774 11.791 1.375 1.00 0.00 C ATOM 732 C HIS A 49 4.631 10.852 0.527 1.00 0.00 C ATOM 733 O HIS A 49 5.451 10.101 1.056 1.00 0.00 O ATOM 734 CB HIS A 49 3.038 10.994 2.454 1.00 0.00 C ATOM 735 CG HIS A 49 3.844 10.776 3.696 1.00 0.00 C ATOM 736 ND1 HIS A 49 4.711 9.717 3.856 1.00 0.00 N ATOM 737 CD2 HIS A 49 3.910 11.491 4.844 1.00 0.00 C ATOM 738 CE1 HIS A 49 5.276 9.787 5.049 1.00 0.00 C ATOM 739 NE2 HIS A 49 4.807 10.855 5.667 1.00 0.00 N ATOM 0 H HIS A 49 2.011 11.974 0.256 1.00 0.00 H new ATOM 0 HA HIS A 49 4.436 12.517 1.847 1.00 0.00 H new ATOM 0 HB2 HIS A 49 2.118 11.517 2.716 1.00 0.00 H new ATOM 0 HB3 HIS A 49 2.749 10.026 2.045 1.00 0.00 H new ATOM 0 HD2 HIS A 49 3.360 12.393 5.070 1.00 0.00 H new ATOM 0 HE1 HIS A 49 5.997 9.090 5.449 1.00 0.00 H new ATOM 0 HE2 HIS A 49 5.069 11.159 6.605 1.00 0.00 H new ATOM 748 N ASN A 50 4.441 10.896 -0.789 1.00 0.00 N ATOM 749 CA ASN A 50 5.200 10.049 -1.699 1.00 0.00 C ATOM 750 C ASN A 50 5.001 8.575 -1.365 1.00 0.00 C ATOM 751 O ASN A 50 5.965 7.815 -1.277 1.00 0.00 O ATOM 752 CB ASN A 50 6.689 10.398 -1.639 1.00 0.00 C ATOM 753 CG ASN A 50 6.951 11.871 -1.878 1.00 0.00 C ATOM 754 OD1 ASN A 50 6.839 12.358 -3.004 1.00 0.00 O ATOM 755 ND2 ASN A 50 7.304 12.587 -0.819 1.00 0.00 N ATOM 0 H ASN A 50 3.767 11.510 -1.247 1.00 0.00 H new ATOM 0 HA ASN A 50 4.832 10.229 -2.709 1.00 0.00 H new ATOM 0 HB2 ASN A 50 7.086 10.115 -0.664 1.00 0.00 H new ATOM 0 HB3 ASN A 50 7.226 9.811 -2.384 1.00 0.00 H new ATOM 0 HD21 ASN A 50 7.495 13.584 -0.918 1.00 0.00 H new ATOM 0 HD22 ASN A 50 7.384 12.141 0.095 1.00 0.00 H new ATOM 762 N ILE A 51 3.745 8.177 -1.182 1.00 0.00 N ATOM 763 CA ILE A 51 3.423 6.791 -0.863 1.00 0.00 C ATOM 764 C ILE A 51 2.764 6.104 -2.053 1.00 0.00 C ATOM 765 O ILE A 51 1.539 6.103 -2.177 1.00 0.00 O ATOM 766 CB ILE A 51 2.479 6.693 0.351 1.00 0.00 C ATOM 767 CG1 ILE A 51 2.985 7.573 1.494 1.00 0.00 C ATOM 768 CG2 ILE A 51 2.347 5.246 0.807 1.00 0.00 C ATOM 769 CD1 ILE A 51 1.992 7.721 2.627 1.00 0.00 C ATOM 0 H ILE A 51 2.936 8.794 -1.249 1.00 0.00 H new ATOM 0 HA ILE A 51 4.363 6.294 -0.622 1.00 0.00 H new ATOM 0 HB ILE A 51 1.493 7.051 0.053 1.00 0.00 H new ATOM 0 HG12 ILE A 51 3.910 7.150 1.885 1.00 0.00 H new ATOM 0 HG13 ILE A 51 3.227 8.561 1.102 1.00 0.00 H new ATOM 0 HG21 ILE A 51 1.677 5.195 1.665 1.00 0.00 H new ATOM 0 HG22 ILE A 51 1.942 4.644 -0.006 1.00 0.00 H new ATOM 0 HG23 ILE A 51 3.328 4.862 1.089 1.00 0.00 H new ATOM 0 HD11 ILE A 51 2.417 8.358 3.403 1.00 0.00 H new ATOM 0 HD12 ILE A 51 1.074 8.172 2.250 1.00 0.00 H new ATOM 0 HD13 ILE A 51 1.768 6.740 3.045 1.00 0.00 H new ATOM 781 N PRO A 52 3.567 5.508 -2.950 1.00 0.00 N ATOM 782 CA PRO A 52 3.047 4.819 -4.132 1.00 0.00 C ATOM 783 C PRO A 52 1.966 3.806 -3.776 1.00 0.00 C ATOM 784 O PRO A 52 2.117 3.024 -2.842 1.00 0.00 O ATOM 785 CB PRO A 52 4.277 4.114 -4.708 1.00 0.00 C ATOM 786 CG PRO A 52 5.436 4.917 -4.228 1.00 0.00 C ATOM 787 CD PRO A 52 5.040 5.459 -2.883 1.00 0.00 C ATOM 0 HA PRO A 52 2.574 5.508 -4.832 1.00 0.00 H new ATOM 0 HB2 PRO A 52 4.340 3.082 -4.362 1.00 0.00 H new ATOM 0 HB3 PRO A 52 4.241 4.083 -5.797 1.00 0.00 H new ATOM 0 HG2 PRO A 52 6.332 4.301 -4.151 1.00 0.00 H new ATOM 0 HG3 PRO A 52 5.664 5.726 -4.922 1.00 0.00 H new ATOM 0 HD2 PRO A 52 5.384 4.815 -2.074 1.00 0.00 H new ATOM 0 HD3 PRO A 52 5.467 6.446 -2.707 1.00 0.00 H new ATOM 795 N VAL A 53 0.878 3.826 -4.534 1.00 0.00 N ATOM 796 CA VAL A 53 -0.234 2.909 -4.311 1.00 0.00 C ATOM 797 C VAL A 53 -1.084 2.794 -5.569 1.00 0.00 C ATOM 798 O VAL A 53 -0.941 3.588 -6.498 1.00 0.00 O ATOM 799 CB VAL A 53 -1.136 3.373 -3.146 1.00 0.00 C ATOM 800 CG1 VAL A 53 -0.454 3.159 -1.803 1.00 0.00 C ATOM 801 CG2 VAL A 53 -1.531 4.830 -3.323 1.00 0.00 C ATOM 0 H VAL A 53 0.741 4.470 -5.313 1.00 0.00 H new ATOM 0 HA VAL A 53 0.197 1.941 -4.056 1.00 0.00 H new ATOM 0 HB VAL A 53 -2.041 2.766 -3.160 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -1.113 3.495 -1.003 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -0.234 2.100 -1.671 1.00 0.00 H new ATOM 0 HG13 VAL A 53 0.475 3.729 -1.772 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -2.166 5.138 -2.493 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -0.635 5.450 -3.344 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -2.076 4.948 -4.260 1.00 0.00 H new ATOM 811 N GLU A 54 -1.976 1.811 -5.594 1.00 0.00 N ATOM 812 CA GLU A 54 -2.852 1.616 -6.742 1.00 0.00 C ATOM 813 C GLU A 54 -4.308 1.573 -6.298 1.00 0.00 C ATOM 814 O GLU A 54 -4.719 0.681 -5.555 1.00 0.00 O ATOM 815 CB GLU A 54 -2.499 0.335 -7.509 1.00 0.00 C ATOM 816 CG GLU A 54 -1.061 -0.132 -7.326 1.00 0.00 C ATOM 817 CD GLU A 54 -0.390 -0.475 -8.642 1.00 0.00 C ATOM 818 OE1 GLU A 54 -0.619 -1.592 -9.152 1.00 0.00 O ATOM 819 OE2 GLU A 54 0.367 0.372 -9.161 1.00 0.00 O ATOM 0 H GLU A 54 -2.111 1.140 -4.837 1.00 0.00 H new ATOM 0 HA GLU A 54 -2.707 2.462 -7.414 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -3.170 -0.462 -7.189 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -2.682 0.500 -8.571 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -0.490 0.649 -6.823 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -1.046 -1.007 -6.676 1.00 0.00 H new ATOM 826 N LEU A 55 -5.079 2.550 -6.756 1.00 0.00 N ATOM 827 CA LEU A 55 -6.489 2.637 -6.410 1.00 0.00 C ATOM 828 C LEU A 55 -7.347 1.911 -7.443 1.00 0.00 C ATOM 829 O LEU A 55 -7.380 2.282 -8.617 1.00 0.00 O ATOM 830 CB LEU A 55 -6.908 4.103 -6.299 1.00 0.00 C ATOM 831 CG LEU A 55 -8.163 4.356 -5.461 1.00 0.00 C ATOM 832 CD1 LEU A 55 -7.876 5.351 -4.345 1.00 0.00 C ATOM 833 CD2 LEU A 55 -9.292 4.855 -6.348 1.00 0.00 C ATOM 0 H LEU A 55 -4.749 3.295 -7.370 1.00 0.00 H new ATOM 0 HA LEU A 55 -6.642 2.152 -5.446 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -6.082 4.670 -5.869 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -7.075 4.494 -7.303 1.00 0.00 H new ATOM 0 HG LEU A 55 -8.469 3.416 -5.002 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -8.782 5.516 -3.762 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -7.095 4.955 -3.696 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -7.545 6.296 -4.776 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -10.180 5.032 -5.741 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -8.991 5.785 -6.831 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -9.515 4.107 -7.109 1.00 0.00 H new ATOM 845 N ILE A 56 -8.032 0.867 -6.990 1.00 0.00 N ATOM 846 CA ILE A 56 -8.892 0.060 -7.854 1.00 0.00 C ATOM 847 C ILE A 56 -10.366 0.389 -7.615 1.00 0.00 C ATOM 848 O ILE A 56 -10.747 0.780 -6.513 1.00 0.00 O ATOM 849 CB ILE A 56 -8.661 -1.458 -7.653 1.00 0.00 C ATOM 850 CG1 ILE A 56 -8.020 -1.746 -6.287 1.00 0.00 C ATOM 851 CG2 ILE A 56 -7.804 -2.015 -8.773 1.00 0.00 C ATOM 852 CD1 ILE A 56 -7.887 -3.221 -5.973 1.00 0.00 C ATOM 0 H ILE A 56 -8.009 0.556 -6.019 1.00 0.00 H new ATOM 0 HA ILE A 56 -8.627 0.310 -8.881 1.00 0.00 H new ATOM 0 HB ILE A 56 -9.632 -1.954 -7.677 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -7.032 -1.287 -6.256 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -8.617 -1.271 -5.509 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -7.651 -3.083 -8.617 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -8.305 -1.856 -9.728 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -6.839 -1.507 -8.780 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -7.426 -3.344 -4.993 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -8.874 -3.683 -5.970 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -7.265 -3.699 -6.729 1.00 0.00 H new ATOM 864 N GLN A 57 -11.194 0.231 -8.649 1.00 0.00 N ATOM 865 CA GLN A 57 -12.624 0.514 -8.531 1.00 0.00 C ATOM 866 C GLN A 57 -13.456 -0.691 -8.965 1.00 0.00 C ATOM 867 O GLN A 57 -13.227 -1.266 -10.029 1.00 0.00 O ATOM 868 CB GLN A 57 -12.997 1.737 -9.374 1.00 0.00 C ATOM 869 CG GLN A 57 -11.965 2.852 -9.328 1.00 0.00 C ATOM 870 CD GLN A 57 -11.032 2.834 -10.524 1.00 0.00 C ATOM 871 OE1 GLN A 57 -10.735 1.775 -11.076 1.00 0.00 O ATOM 872 NE2 GLN A 57 -10.566 4.010 -10.930 1.00 0.00 N ATOM 0 H GLN A 57 -10.901 -0.089 -9.572 1.00 0.00 H new ATOM 0 HA GLN A 57 -12.841 0.724 -7.484 1.00 0.00 H new ATOM 0 HB2 GLN A 57 -13.135 1.425 -10.409 1.00 0.00 H new ATOM 0 HB3 GLN A 57 -13.955 2.126 -9.028 1.00 0.00 H new ATOM 0 HG2 GLN A 57 -12.476 3.814 -9.285 1.00 0.00 H new ATOM 0 HG3 GLN A 57 -11.379 2.762 -8.413 1.00 0.00 H new ATOM 0 HE21 GLN A 57 -10.839 4.863 -10.442 1.00 0.00 H new ATOM 0 HE22 GLN A 57 -9.935 4.060 -11.730 1.00 0.00 H new ATOM 881 N CYS A 58 -14.417 -1.075 -8.127 1.00 0.00 N ATOM 882 CA CYS A 58 -15.281 -2.221 -8.409 1.00 0.00 C ATOM 883 C CYS A 58 -16.653 -2.053 -7.750 1.00 0.00 C ATOM 884 O CYS A 58 -16.841 -1.172 -6.917 1.00 0.00 O ATOM 885 CB CYS A 58 -14.617 -3.505 -7.917 1.00 0.00 C ATOM 886 SG CYS A 58 -13.897 -4.508 -9.236 1.00 0.00 S ATOM 0 H CYS A 58 -14.618 -0.607 -7.243 1.00 0.00 H new ATOM 0 HA CYS A 58 -15.429 -2.281 -9.487 1.00 0.00 H new ATOM 0 HB2 CYS A 58 -13.836 -3.248 -7.202 1.00 0.00 H new ATOM 0 HB3 CYS A 58 -15.355 -4.102 -7.381 1.00 0.00 H new ATOM 0 HG CYS A 58 -12.620 -4.643 -9.031 1.00 0.00 H new ATOM 892 N ARG A 59 -17.610 -2.904 -8.123 1.00 0.00 N ATOM 893 CA ARG A 59 -18.958 -2.850 -7.560 1.00 0.00 C ATOM 894 C ARG A 59 -18.966 -3.363 -6.118 1.00 0.00 C ATOM 895 O ARG A 59 -17.918 -3.477 -5.486 1.00 0.00 O ATOM 896 CB ARG A 59 -19.921 -3.684 -8.413 1.00 0.00 C ATOM 897 CG ARG A 59 -20.255 -3.056 -9.756 1.00 0.00 C ATOM 898 CD ARG A 59 -19.416 -3.654 -10.872 1.00 0.00 C ATOM 899 NE ARG A 59 -19.896 -3.256 -12.192 1.00 0.00 N ATOM 900 CZ ARG A 59 -19.122 -3.179 -13.272 1.00 0.00 C ATOM 901 NH1 ARG A 59 -17.830 -3.479 -13.198 1.00 0.00 N ATOM 902 NH2 ARG A 59 -19.641 -2.805 -14.433 1.00 0.00 N ATOM 0 H ARG A 59 -17.475 -3.641 -8.815 1.00 0.00 H new ATOM 0 HA ARG A 59 -19.286 -1.810 -7.561 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -19.483 -4.668 -8.582 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -20.845 -3.838 -7.855 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -21.313 -3.203 -9.975 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -20.086 -1.980 -9.708 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -18.379 -3.340 -10.754 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -19.431 -4.741 -10.794 1.00 0.00 H new ATOM 0 HE ARG A 59 -20.884 -3.023 -12.293 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -17.424 -3.771 -12.309 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -17.244 -3.417 -14.030 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -20.633 -2.576 -14.498 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -19.048 -2.746 -15.261 1.00 0.00 H new ATOM 916 N VAL A 60 -20.155 -3.676 -5.611 1.00 0.00 N ATOM 917 CA VAL A 60 -20.300 -4.179 -4.248 1.00 0.00 C ATOM 918 C VAL A 60 -19.949 -5.665 -4.142 1.00 0.00 C ATOM 919 O VAL A 60 -19.950 -6.230 -3.047 1.00 0.00 O ATOM 920 CB VAL A 60 -21.733 -3.955 -3.720 1.00 0.00 C ATOM 921 CG1 VAL A 60 -22.748 -4.692 -4.580 1.00 0.00 C ATOM 922 CG2 VAL A 60 -21.843 -4.387 -2.265 1.00 0.00 C ATOM 0 H VAL A 60 -21.033 -3.590 -6.124 1.00 0.00 H new ATOM 0 HA VAL A 60 -19.597 -3.615 -3.636 1.00 0.00 H new ATOM 0 HB VAL A 60 -21.953 -2.889 -3.777 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -23.750 -4.519 -4.188 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -22.691 -4.326 -5.605 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -22.531 -5.760 -4.564 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -22.861 -4.221 -1.912 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -21.598 -5.446 -2.180 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -21.149 -3.804 -1.659 1.00 0.00 H new ATOM 932 N ASN A 61 -19.651 -6.299 -5.277 1.00 0.00 N ATOM 933 CA ASN A 61 -19.304 -7.721 -5.286 1.00 0.00 C ATOM 934 C ASN A 61 -18.366 -8.057 -6.446 1.00 0.00 C ATOM 935 O ASN A 61 -18.754 -8.740 -7.393 1.00 0.00 O ATOM 936 CB ASN A 61 -20.573 -8.571 -5.381 1.00 0.00 C ATOM 937 CG ASN A 61 -21.083 -9.008 -4.021 1.00 0.00 C ATOM 938 OD1 ASN A 61 -20.307 -9.394 -3.147 1.00 0.00 O ATOM 939 ND2 ASN A 61 -22.397 -8.951 -3.839 1.00 0.00 N ATOM 0 H ASN A 61 -19.643 -5.855 -6.195 1.00 0.00 H new ATOM 0 HA ASN A 61 -18.786 -7.946 -4.354 1.00 0.00 H new ATOM 0 HB2 ASN A 61 -21.350 -8.002 -5.891 1.00 0.00 H new ATOM 0 HB3 ASN A 61 -20.371 -9.452 -5.990 1.00 0.00 H new ATOM 0 HD21 ASN A 61 -22.801 -9.234 -2.946 1.00 0.00 H new ATOM 0 HD22 ASN A 61 -23.002 -8.624 -4.592 1.00 0.00 H new ATOM 946 N GLU A 62 -17.126 -7.582 -6.355 1.00 0.00 N ATOM 947 CA GLU A 62 -16.120 -7.832 -7.390 1.00 0.00 C ATOM 948 C GLU A 62 -14.713 -7.866 -6.793 1.00 0.00 C ATOM 949 O GLU A 62 -13.846 -8.605 -7.261 1.00 0.00 O ATOM 950 CB GLU A 62 -16.181 -6.749 -8.473 1.00 0.00 C ATOM 951 CG GLU A 62 -17.507 -6.674 -9.218 1.00 0.00 C ATOM 952 CD GLU A 62 -17.383 -7.062 -10.678 1.00 0.00 C ATOM 953 OE1 GLU A 62 -17.038 -6.185 -11.498 1.00 0.00 O ATOM 954 OE2 GLU A 62 -17.633 -8.242 -11.003 1.00 0.00 O ATOM 0 H GLU A 62 -16.791 -7.020 -5.573 1.00 0.00 H new ATOM 0 HA GLU A 62 -16.340 -8.803 -7.834 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -15.982 -5.781 -8.013 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -15.383 -6.929 -9.194 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -18.229 -7.330 -8.732 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -17.901 -5.660 -9.148 1.00 0.00 H new ATOM 961 N ILE A 63 -14.496 -7.057 -5.760 1.00 0.00 N ATOM 962 CA ILE A 63 -13.204 -6.980 -5.092 1.00 0.00 C ATOM 963 C ILE A 63 -12.814 -8.317 -4.481 1.00 0.00 C ATOM 964 O ILE A 63 -11.635 -8.659 -4.414 1.00 0.00 O ATOM 965 CB ILE A 63 -13.210 -5.919 -3.974 1.00 0.00 C ATOM 966 CG1 ILE A 63 -13.814 -4.601 -4.471 1.00 0.00 C ATOM 967 CG2 ILE A 63 -11.792 -5.697 -3.458 1.00 0.00 C ATOM 968 CD1 ILE A 63 -15.323 -4.536 -4.403 1.00 0.00 C ATOM 0 H ILE A 63 -15.207 -6.441 -5.366 1.00 0.00 H new ATOM 0 HA ILE A 63 -12.479 -6.701 -5.856 1.00 0.00 H new ATOM 0 HB ILE A 63 -13.831 -6.284 -3.156 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -13.401 -3.782 -3.882 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -13.502 -4.440 -5.503 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -11.806 -4.946 -2.668 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -11.398 -6.633 -3.062 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -11.157 -5.353 -4.275 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -15.663 -3.569 -4.774 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -15.749 -5.330 -5.016 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -15.646 -4.662 -3.370 1.00 0.00 H new ATOM 980 N GLU A 64 -13.810 -9.066 -4.024 1.00 0.00 N ATOM 981 CA GLU A 64 -13.569 -10.363 -3.407 1.00 0.00 C ATOM 982 C GLU A 64 -12.800 -11.278 -4.353 1.00 0.00 C ATOM 983 O GLU A 64 -11.853 -11.954 -3.948 1.00 0.00 O ATOM 984 CB GLU A 64 -14.892 -11.016 -3.004 1.00 0.00 C ATOM 985 CG GLU A 64 -15.012 -11.266 -1.510 1.00 0.00 C ATOM 986 CD GLU A 64 -14.396 -12.586 -1.088 1.00 0.00 C ATOM 987 OE1 GLU A 64 -13.321 -12.934 -1.619 1.00 0.00 O ATOM 988 OE2 GLU A 64 -14.989 -13.270 -0.228 1.00 0.00 O ATOM 0 H GLU A 64 -14.793 -8.797 -4.069 1.00 0.00 H new ATOM 0 HA GLU A 64 -12.966 -10.206 -2.512 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -15.716 -10.379 -3.325 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -14.997 -11.963 -3.533 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -14.527 -10.453 -0.969 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -16.064 -11.253 -1.227 1.00 0.00 H new ATOM 995 N THR A 65 -13.210 -11.291 -5.615 1.00 0.00 N ATOM 996 CA THR A 65 -12.557 -12.118 -6.618 1.00 0.00 C ATOM 997 C THR A 65 -11.244 -11.491 -7.065 1.00 0.00 C ATOM 998 O THR A 65 -10.249 -12.189 -7.257 1.00 0.00 O ATOM 999 CB THR A 65 -13.477 -12.323 -7.822 1.00 0.00 C ATOM 1000 OG1 THR A 65 -13.887 -11.078 -8.358 1.00 0.00 O ATOM 1001 CG2 THR A 65 -14.724 -13.114 -7.492 1.00 0.00 C ATOM 0 H THR A 65 -13.992 -10.738 -5.967 1.00 0.00 H new ATOM 0 HA THR A 65 -12.342 -13.088 -6.169 1.00 0.00 H new ATOM 0 HB THR A 65 -12.887 -12.888 -8.544 1.00 0.00 H new ATOM 0 HG1 THR A 65 -13.709 -10.367 -7.707 1.00 0.00 H new ATOM 0 HG21 THR A 65 -15.333 -13.224 -8.389 1.00 0.00 H new ATOM 0 HG22 THR A 65 -14.442 -14.100 -7.122 1.00 0.00 H new ATOM 0 HG23 THR A 65 -15.296 -12.589 -6.727 1.00 0.00 H new ATOM 1009 N TYR A 66 -11.241 -10.170 -7.230 1.00 0.00 N ATOM 1010 CA TYR A 66 -10.037 -9.462 -7.655 1.00 0.00 C ATOM 1011 C TYR A 66 -9.159 -9.085 -6.464 1.00 0.00 C ATOM 1012 O TYR A 66 -8.229 -8.289 -6.599 1.00 0.00 O ATOM 1013 CB TYR A 66 -10.408 -8.204 -8.442 1.00 0.00 C ATOM 1014 CG TYR A 66 -11.446 -8.444 -9.515 1.00 0.00 C ATOM 1015 CD1 TYR A 66 -11.317 -9.498 -10.410 1.00 0.00 C ATOM 1016 CD2 TYR A 66 -12.553 -7.615 -9.634 1.00 0.00 C ATOM 1017 CE1 TYR A 66 -12.264 -9.718 -11.393 1.00 0.00 C ATOM 1018 CE2 TYR A 66 -13.503 -7.828 -10.613 1.00 0.00 C ATOM 1019 CZ TYR A 66 -13.354 -8.880 -11.491 1.00 0.00 C ATOM 1020 OH TYR A 66 -14.300 -9.097 -12.465 1.00 0.00 O ATOM 0 H TYR A 66 -12.053 -9.572 -7.077 1.00 0.00 H new ATOM 0 HA TYR A 66 -9.469 -10.136 -8.297 1.00 0.00 H new ATOM 0 HB2 TYR A 66 -10.781 -7.450 -7.750 1.00 0.00 H new ATOM 0 HB3 TYR A 66 -9.509 -7.796 -8.903 1.00 0.00 H new ATOM 0 HD1 TYR A 66 -10.464 -10.156 -10.337 1.00 0.00 H new ATOM 0 HD2 TYR A 66 -12.673 -6.789 -8.949 1.00 0.00 H new ATOM 0 HE1 TYR A 66 -12.150 -10.543 -12.081 1.00 0.00 H new ATOM 0 HE2 TYR A 66 -14.359 -7.174 -10.690 1.00 0.00 H new ATOM 0 HH TYR A 66 -15.003 -8.418 -12.395 1.00 0.00 H new ATOM 1030 N MET A 67 -9.456 -9.652 -5.296 1.00 0.00 N ATOM 1031 CA MET A 67 -8.689 -9.366 -4.087 1.00 0.00 C ATOM 1032 C MET A 67 -7.325 -10.058 -4.113 1.00 0.00 C ATOM 1033 O MET A 67 -6.937 -10.722 -3.151 1.00 0.00 O ATOM 1034 CB MET A 67 -9.482 -9.806 -2.851 1.00 0.00 C ATOM 1035 CG MET A 67 -9.732 -8.685 -1.855 1.00 0.00 C ATOM 1036 SD MET A 67 -8.535 -8.674 -0.506 1.00 0.00 S ATOM 1037 CE MET A 67 -9.452 -9.535 0.769 1.00 0.00 C ATOM 0 H MET A 67 -10.222 -10.312 -5.162 1.00 0.00 H new ATOM 0 HA MET A 67 -8.515 -8.291 -4.042 1.00 0.00 H new ATOM 0 HB2 MET A 67 -10.440 -10.216 -3.172 1.00 0.00 H new ATOM 0 HB3 MET A 67 -8.942 -10.611 -2.351 1.00 0.00 H new ATOM 0 HG2 MET A 67 -9.696 -7.728 -2.375 1.00 0.00 H new ATOM 0 HG3 MET A 67 -10.736 -8.787 -1.444 1.00 0.00 H new ATOM 0 HE1 MET A 67 -9.632 -8.861 1.606 1.00 0.00 H new ATOM 0 HE2 MET A 67 -10.406 -9.874 0.365 1.00 0.00 H new ATOM 0 HE3 MET A 67 -8.877 -10.395 1.113 1.00 0.00 H new ATOM 1047 N ASP A 68 -6.599 -9.902 -5.216 1.00 0.00 N ATOM 1048 CA ASP A 68 -5.284 -10.514 -5.362 1.00 0.00 C ATOM 1049 C ASP A 68 -4.303 -9.953 -4.339 1.00 0.00 C ATOM 1050 O ASP A 68 -3.445 -10.673 -3.829 1.00 0.00 O ATOM 1051 CB ASP A 68 -4.750 -10.288 -6.776 1.00 0.00 C ATOM 1052 CG ASP A 68 -4.757 -8.823 -7.169 1.00 0.00 C ATOM 1053 OD1 ASP A 68 -5.856 -8.277 -7.403 1.00 0.00 O ATOM 1054 OD2 ASP A 68 -3.665 -8.223 -7.242 1.00 0.00 O ATOM 0 H ASP A 68 -6.901 -9.356 -6.023 1.00 0.00 H new ATOM 0 HA ASP A 68 -5.388 -11.585 -5.186 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -3.733 -10.675 -6.844 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -5.354 -10.854 -7.485 1.00 0.00 H new ATOM 1059 N GLY A 69 -4.432 -8.662 -4.043 1.00 0.00 N ATOM 1060 CA GLY A 69 -3.544 -8.034 -3.082 1.00 0.00 C ATOM 1061 C GLY A 69 -3.970 -6.623 -2.727 1.00 0.00 C ATOM 1062 O GLY A 69 -3.346 -5.653 -3.156 1.00 0.00 O ATOM 0 H GLY A 69 -5.133 -8.043 -4.450 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -3.511 -8.638 -2.175 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -2.533 -8.013 -3.488 1.00 0.00 H new ATOM 1066 N VAL A 70 -5.032 -6.507 -1.937 1.00 0.00 N ATOM 1067 CA VAL A 70 -5.537 -5.206 -1.520 1.00 0.00 C ATOM 1068 C VAL A 70 -5.035 -4.854 -0.125 1.00 0.00 C ATOM 1069 O VAL A 70 -5.150 -5.650 0.807 1.00 0.00 O ATOM 1070 CB VAL A 70 -7.081 -5.171 -1.531 1.00 0.00 C ATOM 1071 CG1 VAL A 70 -7.605 -3.816 -1.076 1.00 0.00 C ATOM 1072 CG2 VAL A 70 -7.610 -5.512 -2.916 1.00 0.00 C ATOM 0 H VAL A 70 -5.560 -7.300 -1.573 1.00 0.00 H new ATOM 0 HA VAL A 70 -5.165 -4.471 -2.234 1.00 0.00 H new ATOM 0 HB VAL A 70 -7.440 -5.921 -0.826 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -8.695 -3.822 -1.094 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -7.260 -3.615 -0.062 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -7.235 -3.039 -1.746 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -8.700 -5.483 -2.907 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -7.234 -4.787 -3.638 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -7.276 -6.511 -3.197 1.00 0.00 H new ATOM 1082 N HIS A 71 -4.479 -3.655 0.011 1.00 0.00 N ATOM 1083 CA HIS A 71 -3.962 -3.195 1.293 1.00 0.00 C ATOM 1084 C HIS A 71 -5.002 -2.361 2.034 1.00 0.00 C ATOM 1085 O HIS A 71 -4.981 -2.272 3.260 1.00 0.00 O ATOM 1086 CB HIS A 71 -2.691 -2.377 1.090 1.00 0.00 C ATOM 1087 CG HIS A 71 -1.877 -2.227 2.336 1.00 0.00 C ATOM 1088 ND1 HIS A 71 -0.548 -2.582 2.415 1.00 0.00 N ATOM 1089 CD2 HIS A 71 -2.209 -1.752 3.561 1.00 0.00 C ATOM 1090 CE1 HIS A 71 -0.097 -2.336 3.631 1.00 0.00 C ATOM 1091 NE2 HIS A 71 -1.085 -1.830 4.346 1.00 0.00 N ATOM 0 H HIS A 71 -4.375 -2.985 -0.751 1.00 0.00 H new ATOM 0 HA HIS A 71 -3.729 -4.073 1.896 1.00 0.00 H new ATOM 0 HB2 HIS A 71 -2.081 -2.851 0.321 1.00 0.00 H new ATOM 0 HB3 HIS A 71 -2.959 -1.388 0.719 1.00 0.00 H new ATOM 0 HD2 HIS A 71 -3.177 -1.381 3.864 1.00 0.00 H new ATOM 0 HE1 HIS A 71 0.908 -2.518 3.981 1.00 0.00 H new ATOM 0 HE2 HIS A 71 -1.023 -1.544 5.323 1.00 0.00 H new ATOM 1100 N LEU A 72 -5.924 -1.768 1.284 1.00 0.00 N ATOM 1101 CA LEU A 72 -6.983 -0.958 1.871 1.00 0.00 C ATOM 1102 C LEU A 72 -8.208 -0.957 0.962 1.00 0.00 C ATOM 1103 O LEU A 72 -8.088 -1.059 -0.255 1.00 0.00 O ATOM 1104 CB LEU A 72 -6.506 0.481 2.107 1.00 0.00 C ATOM 1105 CG LEU A 72 -5.379 0.643 3.133 1.00 0.00 C ATOM 1106 CD1 LEU A 72 -5.001 2.112 3.286 1.00 0.00 C ATOM 1107 CD2 LEU A 72 -5.785 0.057 4.478 1.00 0.00 C ATOM 0 H LEU A 72 -5.959 -1.834 0.267 1.00 0.00 H new ATOM 0 HA LEU A 72 -7.250 -1.394 2.834 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -6.170 0.894 1.156 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -7.358 1.079 2.431 1.00 0.00 H new ATOM 0 HG LEU A 72 -4.508 0.097 2.770 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -4.199 2.207 4.018 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -4.664 2.503 2.326 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -5.869 2.678 3.623 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -4.970 0.183 5.191 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -6.672 0.572 4.846 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -6.004 -1.004 4.361 1.00 0.00 H new ATOM 1119 N ILE A 73 -9.387 -0.850 1.556 1.00 0.00 N ATOM 1120 CA ILE A 73 -10.623 -0.840 0.784 1.00 0.00 C ATOM 1121 C ILE A 73 -11.595 0.197 1.345 1.00 0.00 C ATOM 1122 O ILE A 73 -11.657 0.418 2.552 1.00 0.00 O ATOM 1123 CB ILE A 73 -11.286 -2.248 0.740 1.00 0.00 C ATOM 1124 CG1 ILE A 73 -12.809 -2.154 0.539 1.00 0.00 C ATOM 1125 CG2 ILE A 73 -10.955 -3.045 1.991 1.00 0.00 C ATOM 1126 CD1 ILE A 73 -13.392 -3.289 -0.273 1.00 0.00 C ATOM 0 H ILE A 73 -9.515 -0.769 2.565 1.00 0.00 H new ATOM 0 HA ILE A 73 -10.371 -0.566 -0.240 1.00 0.00 H new ATOM 0 HB ILE A 73 -10.873 -2.774 -0.120 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -13.294 -2.132 1.515 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -13.043 -1.210 0.046 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -11.430 -4.024 1.935 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -9.875 -3.170 2.068 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -11.322 -2.513 2.869 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -14.469 -3.151 -0.370 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -12.937 -3.299 -1.263 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -13.191 -4.236 0.229 1.00 0.00 H new ATOM 1138 N CYS A 74 -12.349 0.834 0.458 1.00 0.00 N ATOM 1139 CA CYS A 74 -13.311 1.844 0.870 1.00 0.00 C ATOM 1140 C CYS A 74 -14.715 1.462 0.418 1.00 0.00 C ATOM 1141 O CYS A 74 -15.054 1.581 -0.759 1.00 0.00 O ATOM 1142 CB CYS A 74 -12.929 3.209 0.292 1.00 0.00 C ATOM 1143 SG CYS A 74 -11.162 3.585 0.389 1.00 0.00 S ATOM 0 H CYS A 74 -12.312 0.669 -0.548 1.00 0.00 H new ATOM 0 HA CYS A 74 -13.299 1.905 1.958 1.00 0.00 H new ATOM 0 HB2 CYS A 74 -13.241 3.250 -0.752 1.00 0.00 H new ATOM 0 HB3 CYS A 74 -13.484 3.984 0.821 1.00 0.00 H new ATOM 0 HG CYS A 74 -10.939 4.757 -0.126 1.00 0.00 H new ATOM 1149 N THR A 75 -15.527 0.996 1.361 1.00 0.00 N ATOM 1150 CA THR A 75 -16.895 0.589 1.063 1.00 0.00 C ATOM 1151 C THR A 75 -17.828 0.979 2.204 1.00 0.00 C ATOM 1152 O THR A 75 -17.436 0.952 3.367 1.00 0.00 O ATOM 1153 CB THR A 75 -16.953 -0.923 0.826 1.00 0.00 C ATOM 1154 OG1 THR A 75 -15.650 -1.482 0.838 1.00 0.00 O ATOM 1155 CG2 THR A 75 -17.599 -1.299 -0.488 1.00 0.00 C ATOM 0 H THR A 75 -15.261 0.891 2.340 1.00 0.00 H new ATOM 0 HA THR A 75 -17.222 1.102 0.158 1.00 0.00 H new ATOM 0 HB THR A 75 -17.562 -1.319 1.638 1.00 0.00 H new ATOM 0 HG1 THR A 75 -15.676 -2.363 1.266 1.00 0.00 H new ATOM 0 HG21 THR A 75 -17.607 -2.384 -0.592 1.00 0.00 H new ATOM 0 HG22 THR A 75 -18.622 -0.924 -0.511 1.00 0.00 H new ATOM 0 HG23 THR A 75 -17.034 -0.860 -1.310 1.00 0.00 H new ATOM 1163 N THR A 76 -19.062 1.341 1.868 1.00 0.00 N ATOM 1164 CA THR A 76 -20.040 1.737 2.877 1.00 0.00 C ATOM 1165 C THR A 76 -20.923 0.559 3.280 1.00 0.00 C ATOM 1166 O THR A 76 -22.054 0.431 2.808 1.00 0.00 O ATOM 1167 CB THR A 76 -20.907 2.885 2.358 1.00 0.00 C ATOM 1168 OG1 THR A 76 -20.131 3.809 1.610 1.00 0.00 O ATOM 1169 CG2 THR A 76 -21.597 3.655 3.463 1.00 0.00 C ATOM 0 H THR A 76 -19.408 1.369 0.909 1.00 0.00 H new ATOM 0 HA THR A 76 -19.493 2.073 3.758 1.00 0.00 H new ATOM 0 HB THR A 76 -21.665 2.413 1.732 1.00 0.00 H new ATOM 0 HG1 THR A 76 -20.707 4.533 1.287 1.00 0.00 H new ATOM 0 HG21 THR A 76 -22.196 4.456 3.029 1.00 0.00 H new ATOM 0 HG22 THR A 76 -22.244 2.982 4.026 1.00 0.00 H new ATOM 0 HG23 THR A 76 -20.849 4.083 4.130 1.00 0.00 H new ATOM 1294 N GLY A 84 -13.045 -11.805 6.341 1.00 0.00 N ATOM 1295 CA GLY A 84 -11.900 -12.306 7.076 1.00 0.00 C ATOM 1296 C GLY A 84 -11.180 -11.212 7.838 1.00 0.00 C ATOM 1297 O GLY A 84 -11.194 -11.190 9.068 1.00 0.00 O ATOM 0 HA2 GLY A 84 -12.228 -13.076 7.774 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -11.205 -12.780 6.382 1.00 0.00 H new ATOM 1301 N ASP A 85 -10.549 -10.301 7.106 1.00 0.00 N ATOM 1302 CA ASP A 85 -9.823 -9.199 7.721 1.00 0.00 C ATOM 1303 C ASP A 85 -9.631 -8.060 6.729 1.00 0.00 C ATOM 1304 O ASP A 85 -8.728 -7.240 6.884 1.00 0.00 O ATOM 1305 CB ASP A 85 -8.461 -9.680 8.220 1.00 0.00 C ATOM 1306 CG ASP A 85 -7.665 -10.379 7.137 1.00 0.00 C ATOM 1307 OD1 ASP A 85 -7.990 -11.543 6.817 1.00 0.00 O ATOM 1308 OD2 ASP A 85 -6.717 -9.763 6.605 1.00 0.00 O ATOM 0 H ASP A 85 -10.526 -10.305 6.086 1.00 0.00 H new ATOM 0 HA ASP A 85 -10.409 -8.834 8.565 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -7.892 -8.829 8.593 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -8.604 -10.361 9.059 1.00 0.00 H new ATOM 1313 N ILE A 86 -10.484 -8.014 5.708 1.00 0.00 N ATOM 1314 CA ILE A 86 -10.401 -6.978 4.691 1.00 0.00 C ATOM 1315 C ILE A 86 -10.444 -5.585 5.325 1.00 0.00 C ATOM 1316 O ILE A 86 -11.495 -5.127 5.769 1.00 0.00 O ATOM 1317 CB ILE A 86 -11.540 -7.125 3.655 1.00 0.00 C ATOM 1318 CG1 ILE A 86 -11.329 -6.165 2.486 1.00 0.00 C ATOM 1319 CG2 ILE A 86 -12.897 -6.889 4.304 1.00 0.00 C ATOM 1320 CD1 ILE A 86 -11.913 -6.660 1.181 1.00 0.00 C ATOM 0 H ILE A 86 -11.240 -8.684 5.566 1.00 0.00 H new ATOM 0 HA ILE A 86 -9.448 -7.097 4.176 1.00 0.00 H new ATOM 0 HB ILE A 86 -11.521 -8.145 3.271 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -11.777 -5.202 2.732 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -10.260 -5.995 2.355 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -13.682 -6.998 3.556 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -13.051 -7.617 5.100 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -12.931 -5.883 4.721 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -11.725 -5.927 0.397 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -11.448 -7.608 0.911 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -12.988 -6.802 1.294 1.00 0.00 H new ATOM 1332 N PRO A 87 -9.289 -4.898 5.395 1.00 0.00 N ATOM 1333 CA PRO A 87 -9.198 -3.558 5.994 1.00 0.00 C ATOM 1334 C PRO A 87 -9.950 -2.495 5.195 1.00 0.00 C ATOM 1335 O PRO A 87 -9.336 -1.675 4.512 1.00 0.00 O ATOM 1336 CB PRO A 87 -7.693 -3.265 5.979 1.00 0.00 C ATOM 1337 CG PRO A 87 -7.146 -4.127 4.895 1.00 0.00 C ATOM 1338 CD PRO A 87 -7.979 -5.376 4.913 1.00 0.00 C ATOM 0 HA PRO A 87 -9.649 -3.532 6.986 1.00 0.00 H new ATOM 0 HB2 PRO A 87 -7.498 -2.211 5.782 1.00 0.00 H new ATOM 0 HB3 PRO A 87 -7.235 -3.500 6.940 1.00 0.00 H new ATOM 0 HG2 PRO A 87 -7.209 -3.628 3.928 1.00 0.00 H new ATOM 0 HG3 PRO A 87 -6.094 -4.355 5.068 1.00 0.00 H new ATOM 0 HD2 PRO A 87 -8.053 -5.825 3.923 1.00 0.00 H new ATOM 0 HD3 PRO A 87 -7.557 -6.132 5.575 1.00 0.00 H new ATOM 1346 N LEU A 88 -11.280 -2.509 5.278 1.00 0.00 N ATOM 1347 CA LEU A 88 -12.087 -1.534 4.550 1.00 0.00 C ATOM 1348 C LEU A 88 -12.542 -0.390 5.443 1.00 0.00 C ATOM 1349 O LEU A 88 -12.523 -0.492 6.670 1.00 0.00 O ATOM 1350 CB LEU A 88 -13.304 -2.191 3.896 1.00 0.00 C ATOM 1351 CG LEU A 88 -14.436 -2.594 4.838 1.00 0.00 C ATOM 1352 CD1 LEU A 88 -15.771 -2.508 4.114 1.00 0.00 C ATOM 1353 CD2 LEU A 88 -14.203 -4.000 5.357 1.00 0.00 C ATOM 0 H LEU A 88 -11.815 -3.176 5.835 1.00 0.00 H new ATOM 0 HA LEU A 88 -11.445 -1.125 3.770 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -13.706 -1.504 3.151 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -12.969 -3.080 3.362 1.00 0.00 H new ATOM 0 HG LEU A 88 -14.456 -1.909 5.686 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -16.573 -2.797 4.793 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -15.935 -1.486 3.774 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -15.763 -3.179 3.255 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -15.015 -4.279 6.028 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -14.169 -4.696 4.519 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -13.257 -4.036 5.897 1.00 0.00 H new ATOM 1365 N VAL A 89 -12.953 0.699 4.806 1.00 0.00 N ATOM 1366 CA VAL A 89 -13.422 1.878 5.520 1.00 0.00 C ATOM 1367 C VAL A 89 -14.576 2.544 4.776 1.00 0.00 C ATOM 1368 O VAL A 89 -14.680 2.446 3.554 1.00 0.00 O ATOM 1369 CB VAL A 89 -12.286 2.901 5.715 1.00 0.00 C ATOM 1370 CG1 VAL A 89 -12.760 4.088 6.540 1.00 0.00 C ATOM 1371 CG2 VAL A 89 -11.083 2.236 6.367 1.00 0.00 C ATOM 0 H VAL A 89 -12.971 0.789 3.790 1.00 0.00 H new ATOM 0 HA VAL A 89 -13.770 1.544 6.498 1.00 0.00 H new ATOM 0 HB VAL A 89 -11.987 3.273 4.735 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -11.940 4.796 6.664 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -13.589 4.578 6.029 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -13.091 3.742 7.519 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -10.288 2.970 6.499 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -11.371 1.835 7.339 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -10.726 1.425 5.731 1.00 0.00 H new ATOM 1381 N HIS A 90 -15.441 3.219 5.522 1.00 0.00 N ATOM 1382 CA HIS A 90 -16.588 3.899 4.935 1.00 0.00 C ATOM 1383 C HIS A 90 -16.188 5.266 4.392 1.00 0.00 C ATOM 1384 O HIS A 90 -15.367 5.965 4.986 1.00 0.00 O ATOM 1385 CB HIS A 90 -17.698 4.054 5.976 1.00 0.00 C ATOM 1386 CG HIS A 90 -18.188 2.752 6.529 1.00 0.00 C ATOM 1387 ND1 HIS A 90 -19.058 2.666 7.593 1.00 0.00 N ATOM 1388 CD2 HIS A 90 -17.936 1.475 6.152 1.00 0.00 C ATOM 1389 CE1 HIS A 90 -19.320 1.398 7.847 1.00 0.00 C ATOM 1390 NE2 HIS A 90 -18.654 0.653 6.984 1.00 0.00 N ATOM 0 H HIS A 90 -15.370 3.310 6.535 1.00 0.00 H new ATOM 0 HA HIS A 90 -16.957 3.294 4.107 1.00 0.00 H new ATOM 0 HB2 HIS A 90 -17.332 4.672 6.796 1.00 0.00 H new ATOM 0 HB3 HIS A 90 -18.536 4.586 5.525 1.00 0.00 H new ATOM 0 HD2 HIS A 90 -17.289 1.162 5.346 1.00 0.00 H new ATOM 0 HE1 HIS A 90 -19.969 1.032 8.628 1.00 0.00 H new ATOM 0 HE2 HIS A 90 -18.670 -0.366 6.943 1.00 0.00 H new ATOM 1399 N GLY A 91 -16.774 5.643 3.259 1.00 0.00 N ATOM 1400 CA GLY A 91 -16.464 6.926 2.655 1.00 0.00 C ATOM 1401 C GLY A 91 -17.657 7.859 2.620 1.00 0.00 C ATOM 1402 O GLY A 91 -17.681 8.816 1.846 1.00 0.00 O ATOM 0 H GLY A 91 -17.457 5.083 2.749 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -15.654 7.399 3.211 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -16.102 6.767 1.639 1.00 0.00 H new ATOM 1406 N MET A 92 -18.644 7.592 3.471 1.00 0.00 N ATOM 1407 CA MET A 92 -19.841 8.421 3.541 1.00 0.00 C ATOM 1408 C MET A 92 -19.492 9.892 3.781 1.00 0.00 C ATOM 1409 O MET A 92 -20.061 10.775 3.140 1.00 0.00 O ATOM 1410 CB MET A 92 -20.771 7.921 4.649 1.00 0.00 C ATOM 1411 CG MET A 92 -22.245 8.003 4.287 1.00 0.00 C ATOM 1412 SD MET A 92 -23.042 9.481 4.947 1.00 0.00 S ATOM 1413 CE MET A 92 -24.465 9.612 3.866 1.00 0.00 C ATOM 0 H MET A 92 -18.637 6.807 4.122 1.00 0.00 H new ATOM 0 HA MET A 92 -20.350 8.345 2.580 1.00 0.00 H new ATOM 0 HB2 MET A 92 -20.520 6.887 4.884 1.00 0.00 H new ATOM 0 HB3 MET A 92 -20.594 8.505 5.552 1.00 0.00 H new ATOM 0 HG2 MET A 92 -22.350 7.992 3.202 1.00 0.00 H new ATOM 0 HG3 MET A 92 -22.758 7.119 4.666 1.00 0.00 H new ATOM 0 HE1 MET A 92 -25.058 10.481 4.149 1.00 0.00 H new ATOM 0 HE2 MET A 92 -24.130 9.722 2.835 1.00 0.00 H new ATOM 0 HE3 MET A 92 -25.074 8.712 3.955 1.00 0.00 H new ATOM 1423 N PRO A 93 -18.558 10.186 4.708 1.00 0.00 N ATOM 1424 CA PRO A 93 -18.168 11.567 5.005 1.00 0.00 C ATOM 1425 C PRO A 93 -17.336 12.190 3.886 1.00 0.00 C ATOM 1426 O PRO A 93 -17.454 13.382 3.609 1.00 0.00 O ATOM 1427 CB PRO A 93 -17.345 11.435 6.286 1.00 0.00 C ATOM 1428 CG PRO A 93 -16.775 10.066 6.218 1.00 0.00 C ATOM 1429 CD PRO A 93 -17.815 9.216 5.543 1.00 0.00 C ATOM 0 HA PRO A 93 -19.032 12.223 5.108 1.00 0.00 H new ATOM 0 HB2 PRO A 93 -16.561 12.190 6.334 1.00 0.00 H new ATOM 0 HB3 PRO A 93 -17.966 11.563 7.173 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -15.841 10.060 5.656 1.00 0.00 H new ATOM 0 HG3 PRO A 93 -16.549 9.688 7.215 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -17.362 8.430 4.939 1.00 0.00 H new ATOM 0 HD3 PRO A 93 -18.466 8.727 6.267 1.00 0.00 H new ATOM 1437 N PHE A 94 -16.494 11.381 3.246 1.00 0.00 N ATOM 1438 CA PHE A 94 -15.651 11.873 2.160 1.00 0.00 C ATOM 1439 C PHE A 94 -16.493 12.275 0.952 1.00 0.00 C ATOM 1440 O PHE A 94 -16.162 13.225 0.242 1.00 0.00 O ATOM 1441 CB PHE A 94 -14.611 10.820 1.757 1.00 0.00 C ATOM 1442 CG PHE A 94 -13.195 11.331 1.792 1.00 0.00 C ATOM 1443 CD1 PHE A 94 -12.778 12.192 2.796 1.00 0.00 C ATOM 1444 CD2 PHE A 94 -12.281 10.952 0.820 1.00 0.00 C ATOM 1445 CE1 PHE A 94 -11.479 12.664 2.831 1.00 0.00 C ATOM 1446 CE2 PHE A 94 -10.981 11.422 0.850 1.00 0.00 C ATOM 1447 CZ PHE A 94 -10.580 12.279 1.856 1.00 0.00 C ATOM 0 H PHE A 94 -16.378 10.390 3.459 1.00 0.00 H new ATOM 0 HA PHE A 94 -15.126 12.757 2.521 1.00 0.00 H new ATOM 0 HB2 PHE A 94 -14.696 9.963 2.425 1.00 0.00 H new ATOM 0 HB3 PHE A 94 -14.836 10.465 0.751 1.00 0.00 H new ATOM 0 HD1 PHE A 94 -13.477 12.498 3.560 1.00 0.00 H new ATOM 0 HD2 PHE A 94 -12.588 10.282 0.031 1.00 0.00 H new ATOM 0 HE1 PHE A 94 -11.168 13.333 3.620 1.00 0.00 H new ATOM 0 HE2 PHE A 94 -10.279 11.119 0.087 1.00 0.00 H new ATOM 0 HZ PHE A 94 -9.565 12.647 1.880 1.00 0.00 H new ATOM 1457 N VAL A 95 -17.584 11.551 0.724 1.00 0.00 N ATOM 1458 CA VAL A 95 -18.471 11.841 -0.399 1.00 0.00 C ATOM 1459 C VAL A 95 -19.333 13.073 -0.127 1.00 0.00 C ATOM 1460 O VAL A 95 -19.930 13.636 -1.045 1.00 0.00 O ATOM 1461 CB VAL A 95 -19.393 10.645 -0.715 1.00 0.00 C ATOM 1462 CG1 VAL A 95 -20.155 10.886 -2.010 1.00 0.00 C ATOM 1463 CG2 VAL A 95 -18.589 9.353 -0.792 1.00 0.00 C ATOM 0 H VAL A 95 -17.875 10.761 1.300 1.00 0.00 H new ATOM 0 HA VAL A 95 -17.829 12.035 -1.258 1.00 0.00 H new ATOM 0 HB VAL A 95 -20.118 10.546 0.093 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -20.800 10.032 -2.217 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -20.763 11.785 -1.912 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -19.448 11.014 -2.830 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -19.257 8.521 -1.016 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -17.839 9.438 -1.578 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -18.095 9.175 0.163 1.00 0.00 H new ATOM 1473 N SER A 96 -19.402 13.489 1.137 1.00 0.00 N ATOM 1474 CA SER A 96 -20.199 14.652 1.514 1.00 0.00 C ATOM 1475 C SER A 96 -19.639 15.929 0.893 1.00 0.00 C ATOM 1476 O SER A 96 -20.389 16.842 0.547 1.00 0.00 O ATOM 1477 CB SER A 96 -20.249 14.800 3.037 1.00 0.00 C ATOM 1478 OG SER A 96 -19.915 13.587 3.683 1.00 0.00 O ATOM 0 H SER A 96 -18.917 13.039 1.913 1.00 0.00 H new ATOM 0 HA SER A 96 -21.209 14.496 1.136 1.00 0.00 H new ATOM 0 HB2 SER A 96 -19.559 15.583 3.351 1.00 0.00 H new ATOM 0 HB3 SER A 96 -21.248 15.113 3.341 1.00 0.00 H new ATOM 0 HG SER A 96 -19.085 13.704 4.190 1.00 0.00 H new ATOM 1484 N GLY A 97 -18.317 15.992 0.764 1.00 0.00 N ATOM 1485 CA GLY A 97 -17.684 17.169 0.192 1.00 0.00 C ATOM 1486 C GLY A 97 -17.480 18.277 1.212 1.00 0.00 C ATOM 1487 O GLY A 97 -16.787 19.257 0.939 1.00 0.00 O ATOM 0 H GLY A 97 -17.674 15.252 1.044 1.00 0.00 H new ATOM 0 HA2 GLY A 97 -16.720 16.889 -0.232 1.00 0.00 H new ATOM 0 HA3 GLY A 97 -18.296 17.544 -0.628 1.00 0.00 H new ATOM 1491 N VAL A 98 -18.083 18.122 2.388 1.00 0.00 N ATOM 1492 CA VAL A 98 -17.964 19.115 3.449 1.00 0.00 C ATOM 1493 C VAL A 98 -17.325 18.511 4.698 1.00 0.00 C ATOM 1494 O VAL A 98 -16.831 19.232 5.564 1.00 0.00 O ATOM 1495 CB VAL A 98 -19.338 19.711 3.816 1.00 0.00 C ATOM 1496 CG1 VAL A 98 -19.180 20.864 4.794 1.00 0.00 C ATOM 1497 CG2 VAL A 98 -20.073 20.164 2.563 1.00 0.00 C ATOM 0 H VAL A 98 -18.660 17.316 2.629 1.00 0.00 H new ATOM 0 HA VAL A 98 -17.324 19.912 3.070 1.00 0.00 H new ATOM 0 HB VAL A 98 -19.931 18.935 4.300 1.00 0.00 H new ATOM 0 HG11 VAL A 98 -20.161 21.270 5.040 1.00 0.00 H new ATOM 0 HG12 VAL A 98 -18.697 20.506 5.703 1.00 0.00 H new ATOM 0 HG13 VAL A 98 -18.568 21.644 4.341 1.00 0.00 H new ATOM 0 HG21 VAL A 98 -21.041 20.582 2.840 1.00 0.00 H new ATOM 0 HG22 VAL A 98 -19.483 20.923 2.050 1.00 0.00 H new ATOM 0 HG23 VAL A 98 -20.222 19.311 1.900 1.00 0.00 H new ATOM 1507 N GLY A 99 -17.332 17.182 4.783 1.00 0.00 N ATOM 1508 CA GLY A 99 -16.745 16.509 5.923 1.00 0.00 C ATOM 1509 C GLY A 99 -15.398 15.886 5.603 1.00 0.00 C ATOM 1510 O GLY A 99 -14.751 15.315 6.480 1.00 0.00 O ATOM 0 H GLY A 99 -17.735 16.562 4.080 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -16.627 17.221 6.740 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -17.426 15.733 6.273 1.00 0.00 H new ATOM 1514 N ILE A 100 -14.974 15.993 4.345 1.00 0.00 N ATOM 1515 CA ILE A 100 -13.697 15.432 3.924 1.00 0.00 C ATOM 1516 C ILE A 100 -12.545 16.036 4.721 1.00 0.00 C ATOM 1517 O ILE A 100 -11.561 15.357 5.016 1.00 0.00 O ATOM 1518 CB ILE A 100 -13.453 15.639 2.410 1.00 0.00 C ATOM 1519 CG1 ILE A 100 -13.333 17.127 2.065 1.00 0.00 C ATOM 1520 CG2 ILE A 100 -14.576 15.004 1.603 1.00 0.00 C ATOM 1521 CD1 ILE A 100 -12.181 17.438 1.136 1.00 0.00 C ATOM 0 H ILE A 100 -15.495 16.462 3.604 1.00 0.00 H new ATOM 0 HA ILE A 100 -13.740 14.361 4.120 1.00 0.00 H new ATOM 0 HB ILE A 100 -12.511 15.155 2.153 1.00 0.00 H new ATOM 0 HG12 ILE A 100 -14.262 17.461 1.604 1.00 0.00 H new ATOM 0 HG13 ILE A 100 -13.211 17.697 2.986 1.00 0.00 H new ATOM 0 HG21 ILE A 100 -14.392 15.157 0.540 1.00 0.00 H new ATOM 0 HG22 ILE A 100 -14.616 13.935 1.814 1.00 0.00 H new ATOM 0 HG23 ILE A 100 -15.526 15.464 1.876 1.00 0.00 H new ATOM 0 HD11 ILE A 100 -12.155 18.509 0.934 1.00 0.00 H new ATOM 0 HD12 ILE A 100 -11.244 17.134 1.604 1.00 0.00 H new ATOM 0 HD13 ILE A 100 -12.312 16.895 0.200 1.00 0.00 H new ATOM 1533 N GLU A 101 -12.668 17.315 5.063 1.00 0.00 N ATOM 1534 CA GLU A 101 -11.634 18.009 5.821 1.00 0.00 C ATOM 1535 C GLU A 101 -11.308 17.268 7.113 1.00 0.00 C ATOM 1536 O GLU A 101 -10.147 16.961 7.386 1.00 0.00 O ATOM 1537 CB GLU A 101 -12.077 19.440 6.133 1.00 0.00 C ATOM 1538 CG GLU A 101 -11.200 20.504 5.493 1.00 0.00 C ATOM 1539 CD GLU A 101 -11.516 21.900 5.994 1.00 0.00 C ATOM 1540 OE1 GLU A 101 -12.141 22.017 7.069 1.00 0.00 O ATOM 1541 OE2 GLU A 101 -11.138 22.876 5.312 1.00 0.00 O ATOM 0 H GLU A 101 -13.475 17.892 4.826 1.00 0.00 H new ATOM 0 HA GLU A 101 -10.732 18.040 5.210 1.00 0.00 H new ATOM 0 HB2 GLU A 101 -13.104 19.575 5.793 1.00 0.00 H new ATOM 0 HB3 GLU A 101 -12.077 19.584 7.214 1.00 0.00 H new ATOM 0 HG2 GLU A 101 -10.153 20.277 5.696 1.00 0.00 H new ATOM 0 HG3 GLU A 101 -11.328 20.473 4.411 1.00 0.00 H new ATOM 1548 N ALA A 102 -12.335 16.983 7.905 1.00 0.00 N ATOM 1549 CA ALA A 102 -12.148 16.279 9.167 1.00 0.00 C ATOM 1550 C ALA A 102 -11.674 14.850 8.933 1.00 0.00 C ATOM 1551 O ALA A 102 -10.706 14.401 9.548 1.00 0.00 O ATOM 1552 CB ALA A 102 -13.439 16.288 9.974 1.00 0.00 C ATOM 0 H ALA A 102 -13.303 17.228 7.696 1.00 0.00 H new ATOM 0 HA ALA A 102 -11.377 16.799 9.735 1.00 0.00 H new ATOM 0 HB1 ALA A 102 -13.284 15.758 10.914 1.00 0.00 H new ATOM 0 HB2 ALA A 102 -13.731 17.317 10.181 1.00 0.00 H new ATOM 0 HB3 ALA A 102 -14.227 15.795 9.405 1.00 0.00 H new ATOM 1558 N LEU A 103 -12.353 14.138 8.039 1.00 0.00 N ATOM 1559 CA LEU A 103 -11.981 12.763 7.735 1.00 0.00 C ATOM 1560 C LEU A 103 -10.544 12.698 7.238 1.00 0.00 C ATOM 1561 O LEU A 103 -9.735 11.924 7.745 1.00 0.00 O ATOM 1562 CB LEU A 103 -12.917 12.157 6.688 1.00 0.00 C ATOM 1563 CG LEU A 103 -12.722 10.655 6.461 1.00 0.00 C ATOM 1564 CD1 LEU A 103 -13.058 9.881 7.725 1.00 0.00 C ATOM 1565 CD2 LEU A 103 -13.569 10.168 5.293 1.00 0.00 C ATOM 0 H LEU A 103 -13.157 14.488 7.517 1.00 0.00 H new ATOM 0 HA LEU A 103 -12.069 12.184 8.654 1.00 0.00 H new ATOM 0 HB2 LEU A 103 -13.948 12.335 6.993 1.00 0.00 H new ATOM 0 HB3 LEU A 103 -12.770 12.678 5.742 1.00 0.00 H new ATOM 0 HG LEU A 103 -11.675 10.479 6.215 1.00 0.00 H new ATOM 0 HD11 LEU A 103 -12.915 8.815 7.548 1.00 0.00 H new ATOM 0 HD12 LEU A 103 -12.405 10.205 8.535 1.00 0.00 H new ATOM 0 HD13 LEU A 103 -14.096 10.067 8.000 1.00 0.00 H new ATOM 0 HD21 LEU A 103 -13.413 9.098 5.152 1.00 0.00 H new ATOM 0 HD22 LEU A 103 -14.622 10.357 5.503 1.00 0.00 H new ATOM 0 HD23 LEU A 103 -13.279 10.700 4.387 1.00 0.00 H new ATOM 1577 N GLN A 104 -10.231 13.521 6.241 1.00 0.00 N ATOM 1578 CA GLN A 104 -8.887 13.556 5.677 1.00 0.00 C ATOM 1579 C GLN A 104 -7.836 13.671 6.778 1.00 0.00 C ATOM 1580 O GLN A 104 -6.919 12.856 6.857 1.00 0.00 O ATOM 1581 CB GLN A 104 -8.745 14.719 4.694 1.00 0.00 C ATOM 1582 CG GLN A 104 -7.411 14.730 3.964 1.00 0.00 C ATOM 1583 CD GLN A 104 -7.505 15.332 2.577 1.00 0.00 C ATOM 1584 OE1 GLN A 104 -8.224 14.826 1.715 1.00 0.00 O ATOM 1585 NE2 GLN A 104 -6.776 16.419 2.353 1.00 0.00 N ATOM 0 H GLN A 104 -10.888 14.170 5.809 1.00 0.00 H new ATOM 0 HA GLN A 104 -8.725 12.621 5.141 1.00 0.00 H new ATOM 0 HB2 GLN A 104 -9.551 14.668 3.962 1.00 0.00 H new ATOM 0 HB3 GLN A 104 -8.864 15.658 5.234 1.00 0.00 H new ATOM 0 HG2 GLN A 104 -6.686 15.293 4.551 1.00 0.00 H new ATOM 0 HG3 GLN A 104 -7.036 13.710 3.887 1.00 0.00 H new ATOM 0 HE21 GLN A 104 -6.194 16.805 3.096 1.00 0.00 H new ATOM 0 HE22 GLN A 104 -6.798 16.868 1.437 1.00 0.00 H new ATOM 1594 N ASN A 105 -7.972 14.678 7.632 1.00 0.00 N ATOM 1595 CA ASN A 105 -7.023 14.872 8.722 1.00 0.00 C ATOM 1596 C ASN A 105 -6.945 13.626 9.597 1.00 0.00 C ATOM 1597 O ASN A 105 -5.864 13.075 9.810 1.00 0.00 O ATOM 1598 CB ASN A 105 -7.413 16.081 9.575 1.00 0.00 C ATOM 1599 CG ASN A 105 -6.219 16.704 10.282 1.00 0.00 C ATOM 1600 OD1 ASN A 105 -5.989 17.908 10.187 1.00 0.00 O ATOM 1601 ND2 ASN A 105 -5.451 15.885 10.999 1.00 0.00 N ATOM 0 H ASN A 105 -8.723 15.367 7.592 1.00 0.00 H new ATOM 0 HA ASN A 105 -6.043 15.056 8.282 1.00 0.00 H new ATOM 0 HB2 ASN A 105 -7.888 16.830 8.942 1.00 0.00 H new ATOM 0 HB3 ASN A 105 -8.151 15.776 10.316 1.00 0.00 H new ATOM 0 HD21 ASN A 105 -4.638 16.251 11.494 1.00 0.00 H new ATOM 0 HD22 ASN A 105 -5.676 14.892 11.053 1.00 0.00 H new ATOM 1608 N LYS A 106 -8.090 13.189 10.107 1.00 0.00 N ATOM 1609 CA LYS A 106 -8.140 12.012 10.966 1.00 0.00 C ATOM 1610 C LYS A 106 -7.480 10.809 10.303 1.00 0.00 C ATOM 1611 O LYS A 106 -6.653 10.140 10.916 1.00 0.00 O ATOM 1612 CB LYS A 106 -9.588 11.674 11.328 1.00 0.00 C ATOM 1613 CG LYS A 106 -9.712 10.594 12.392 1.00 0.00 C ATOM 1614 CD LYS A 106 -9.169 11.063 13.734 1.00 0.00 C ATOM 1615 CE LYS A 106 -8.105 10.117 14.274 1.00 0.00 C ATOM 1616 NZ LYS A 106 -8.627 9.266 15.378 1.00 0.00 N ATOM 0 H LYS A 106 -8.994 13.631 9.941 1.00 0.00 H new ATOM 0 HA LYS A 106 -7.587 12.246 11.876 1.00 0.00 H new ATOM 0 HB2 LYS A 106 -10.087 12.577 11.679 1.00 0.00 H new ATOM 0 HB3 LYS A 106 -10.112 11.349 10.429 1.00 0.00 H new ATOM 0 HG2 LYS A 106 -10.758 10.310 12.502 1.00 0.00 H new ATOM 0 HG3 LYS A 106 -9.171 9.703 12.072 1.00 0.00 H new ATOM 0 HD2 LYS A 106 -8.747 12.062 13.626 1.00 0.00 H new ATOM 0 HD3 LYS A 106 -9.987 11.138 14.451 1.00 0.00 H new ATOM 0 HE2 LYS A 106 -7.741 9.481 13.467 1.00 0.00 H new ATOM 0 HE3 LYS A 106 -7.254 10.695 14.633 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 -7.872 8.636 15.718 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 -8.951 9.871 16.159 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 -9.423 8.695 15.029 1.00 0.00 H new ATOM 1630 N ILE A 107 -7.843 10.532 9.055 1.00 0.00 N ATOM 1631 CA ILE A 107 -7.269 9.396 8.344 1.00 0.00 C ATOM 1632 C ILE A 107 -5.759 9.541 8.188 1.00 0.00 C ATOM 1633 O ILE A 107 -5.012 8.594 8.429 1.00 0.00 O ATOM 1634 CB ILE A 107 -7.912 9.185 6.949 1.00 0.00 C ATOM 1635 CG1 ILE A 107 -7.610 10.357 6.012 1.00 0.00 C ATOM 1636 CG2 ILE A 107 -9.414 8.989 7.083 1.00 0.00 C ATOM 1637 CD1 ILE A 107 -7.910 10.064 4.557 1.00 0.00 C ATOM 0 H ILE A 107 -8.524 11.071 8.520 1.00 0.00 H new ATOM 0 HA ILE A 107 -7.485 8.519 8.955 1.00 0.00 H new ATOM 0 HB ILE A 107 -7.475 8.287 6.512 1.00 0.00 H new ATOM 0 HG12 ILE A 107 -8.193 11.222 6.327 1.00 0.00 H new ATOM 0 HG13 ILE A 107 -6.559 10.628 6.110 1.00 0.00 H new ATOM 0 HG21 ILE A 107 -9.851 8.842 6.095 1.00 0.00 H new ATOM 0 HG22 ILE A 107 -9.613 8.114 7.702 1.00 0.00 H new ATOM 0 HG23 ILE A 107 -9.856 9.870 7.548 1.00 0.00 H new ATOM 0 HD11 ILE A 107 -7.672 10.939 3.953 1.00 0.00 H new ATOM 0 HD12 ILE A 107 -7.308 9.219 4.224 1.00 0.00 H new ATOM 0 HD13 ILE A 107 -8.967 9.823 4.445 1.00 0.00 H new ATOM 1649 N LEU A 108 -5.309 10.725 7.784 1.00 0.00 N ATOM 1650 CA LEU A 108 -3.885 10.972 7.592 1.00 0.00 C ATOM 1651 C LEU A 108 -3.104 10.730 8.875 1.00 0.00 C ATOM 1652 O LEU A 108 -2.070 10.064 8.864 1.00 0.00 O ATOM 1653 CB LEU A 108 -3.651 12.400 7.093 1.00 0.00 C ATOM 1654 CG LEU A 108 -4.196 12.701 5.693 1.00 0.00 C ATOM 1655 CD1 LEU A 108 -3.904 14.142 5.307 1.00 0.00 C ATOM 1656 CD2 LEU A 108 -3.610 11.743 4.666 1.00 0.00 C ATOM 0 H LEU A 108 -5.908 11.526 7.584 1.00 0.00 H new ATOM 0 HA LEU A 108 -3.525 10.271 6.839 1.00 0.00 H new ATOM 0 HB2 LEU A 108 -4.107 13.094 7.799 1.00 0.00 H new ATOM 0 HB3 LEU A 108 -2.579 12.598 7.098 1.00 0.00 H new ATOM 0 HG LEU A 108 -5.277 12.560 5.710 1.00 0.00 H new ATOM 0 HD11 LEU A 108 -4.298 14.339 4.310 1.00 0.00 H new ATOM 0 HD12 LEU A 108 -4.378 14.814 6.023 1.00 0.00 H new ATOM 0 HD13 LEU A 108 -2.827 14.309 5.311 1.00 0.00 H new ATOM 0 HD21 LEU A 108 -4.012 11.976 3.680 1.00 0.00 H new ATOM 0 HD22 LEU A 108 -2.525 11.846 4.650 1.00 0.00 H new ATOM 0 HD23 LEU A 108 -3.873 10.719 4.932 1.00 0.00 H new ATOM 1668 N THR A 109 -3.602 11.266 9.982 1.00 0.00 N ATOM 1669 CA THR A 109 -2.941 11.098 11.271 1.00 0.00 C ATOM 1670 C THR A 109 -2.744 9.617 11.589 1.00 0.00 C ATOM 1671 O THR A 109 -1.706 9.219 12.119 1.00 0.00 O ATOM 1672 CB THR A 109 -3.756 11.776 12.375 1.00 0.00 C ATOM 1673 OG1 THR A 109 -3.776 13.180 12.187 1.00 0.00 O ATOM 1674 CG2 THR A 109 -3.228 11.509 13.770 1.00 0.00 C ATOM 0 H THR A 109 -4.458 11.819 10.014 1.00 0.00 H new ATOM 0 HA THR A 109 -1.960 11.569 11.219 1.00 0.00 H new ATOM 0 HB THR A 109 -4.755 11.347 12.298 1.00 0.00 H new ATOM 0 HG1 THR A 109 -4.377 13.402 11.446 1.00 0.00 H new ATOM 0 HG21 THR A 109 -3.855 12.021 14.500 1.00 0.00 H new ATOM 0 HG22 THR A 109 -3.244 10.437 13.966 1.00 0.00 H new ATOM 0 HG23 THR A 109 -2.205 11.877 13.848 1.00 0.00 H new ATOM 1682 N ILE A 110 -3.745 8.805 11.264 1.00 0.00 N ATOM 1683 CA ILE A 110 -3.676 7.368 11.521 1.00 0.00 C ATOM 1684 C ILE A 110 -2.753 6.671 10.524 1.00 0.00 C ATOM 1685 O ILE A 110 -1.964 5.804 10.900 1.00 0.00 O ATOM 1686 CB ILE A 110 -5.069 6.707 11.464 1.00 0.00 C ATOM 1687 CG1 ILE A 110 -6.101 7.561 12.202 1.00 0.00 C ATOM 1688 CG2 ILE A 110 -5.018 5.311 12.064 1.00 0.00 C ATOM 1689 CD1 ILE A 110 -7.528 7.110 11.978 1.00 0.00 C ATOM 0 H ILE A 110 -4.611 9.115 10.824 1.00 0.00 H new ATOM 0 HA ILE A 110 -3.274 7.254 12.528 1.00 0.00 H new ATOM 0 HB ILE A 110 -5.368 6.629 10.419 1.00 0.00 H new ATOM 0 HG12 ILE A 110 -5.884 7.537 13.270 1.00 0.00 H new ATOM 0 HG13 ILE A 110 -6.001 8.597 11.880 1.00 0.00 H new ATOM 0 HG21 ILE A 110 -6.008 4.858 12.016 1.00 0.00 H new ATOM 0 HG22 ILE A 110 -4.312 4.699 11.503 1.00 0.00 H new ATOM 0 HG23 ILE A 110 -4.697 5.373 13.104 1.00 0.00 H new ATOM 0 HD11 ILE A 110 -8.206 7.760 12.531 1.00 0.00 H new ATOM 0 HD12 ILE A 110 -7.763 7.161 10.915 1.00 0.00 H new ATOM 0 HD13 ILE A 110 -7.644 6.084 12.327 1.00 0.00 H new ATOM 1701 N LEU A 111 -2.855 7.050 9.251 1.00 0.00 N ATOM 1702 CA LEU A 111 -2.023 6.451 8.210 1.00 0.00 C ATOM 1703 C LEU A 111 -0.540 6.592 8.549 1.00 0.00 C ATOM 1704 O LEU A 111 0.278 5.758 8.160 1.00 0.00 O ATOM 1705 CB LEU A 111 -2.308 7.097 6.848 1.00 0.00 C ATOM 1706 CG LEU A 111 -3.732 6.904 6.314 1.00 0.00 C ATOM 1707 CD1 LEU A 111 -3.936 7.693 5.026 1.00 0.00 C ATOM 1708 CD2 LEU A 111 -4.028 5.429 6.093 1.00 0.00 C ATOM 0 H LEU A 111 -3.502 7.765 8.917 1.00 0.00 H new ATOM 0 HA LEU A 111 -2.270 5.391 8.157 1.00 0.00 H new ATOM 0 HB2 LEU A 111 -2.108 8.166 6.923 1.00 0.00 H new ATOM 0 HB3 LEU A 111 -1.607 6.692 6.119 1.00 0.00 H new ATOM 0 HG LEU A 111 -4.430 7.284 7.060 1.00 0.00 H new ATOM 0 HD11 LEU A 111 -4.953 7.542 4.664 1.00 0.00 H new ATOM 0 HD12 LEU A 111 -3.773 8.753 5.219 1.00 0.00 H new ATOM 0 HD13 LEU A 111 -3.228 7.349 4.272 1.00 0.00 H new ATOM 0 HD21 LEU A 111 -5.044 5.315 5.714 1.00 0.00 H new ATOM 0 HD22 LEU A 111 -3.322 5.021 5.369 1.00 0.00 H new ATOM 0 HD23 LEU A 111 -3.931 4.893 7.037 1.00 0.00 H new ATOM 1720 N GLN A 112 -0.201 7.651 9.279 1.00 0.00 N ATOM 1721 CA GLN A 112 1.183 7.898 9.672 1.00 0.00 C ATOM 1722 C GLN A 112 1.567 7.067 10.895 1.00 0.00 C ATOM 1723 O GLN A 112 2.748 6.929 11.215 1.00 0.00 O ATOM 1724 CB GLN A 112 1.402 9.386 9.965 1.00 0.00 C ATOM 1725 CG GLN A 112 0.714 10.315 8.975 1.00 0.00 C ATOM 1726 CD GLN A 112 1.686 10.978 8.017 1.00 0.00 C ATOM 1727 OE1 GLN A 112 1.462 11.000 6.807 1.00 0.00 O ATOM 1728 NE2 GLN A 112 2.771 11.525 8.554 1.00 0.00 N ATOM 0 H GLN A 112 -0.865 8.351 9.610 1.00 0.00 H new ATOM 0 HA GLN A 112 1.821 7.601 8.840 1.00 0.00 H new ATOM 0 HB2 GLN A 112 1.038 9.606 10.969 1.00 0.00 H new ATOM 0 HB3 GLN A 112 2.472 9.594 9.961 1.00 0.00 H new ATOM 0 HG2 GLN A 112 -0.022 9.749 8.404 1.00 0.00 H new ATOM 0 HG3 GLN A 112 0.170 11.084 9.523 1.00 0.00 H new ATOM 0 HE21 GLN A 112 2.917 11.484 9.563 1.00 0.00 H new ATOM 0 HE22 GLN A 112 3.458 11.986 7.958 1.00 0.00 H new ATOM 1737 N GLY A 113 0.566 6.514 11.576 1.00 0.00 N ATOM 1738 CA GLY A 113 0.827 5.706 12.753 1.00 0.00 C ATOM 1739 C GLY A 113 1.440 6.507 13.885 1.00 0.00 C ATOM 1740 O GLY A 113 2.167 7.480 13.597 1.00 0.00 O ATOM 1741 OXT GLY A 113 1.191 6.160 15.058 1.00 0.00 O ATOM 0 H GLY A 113 -0.420 6.612 11.333 1.00 0.00 H new ATOM 0 HA2 GLY A 113 -0.105 5.256 13.094 1.00 0.00 H new ATOM 0 HA3 GLY A 113 1.497 4.888 12.487 1.00 0.00 H new