USER MOD reduce.3.24.130724 H: found=0, std=0, add=385, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 386 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 Single : A 25 THR OG1 : rot 180:sc= -0.33 USER MOD Single : A 28 GLN : amide:sc= -0.743 K(o=-0.74,f=-6.6!) USER MOD Single : A 30 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 GLN : amide:sc= -0.108 X(o=-0.11,f=0) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 58 GLN : amide:sc= -1.94! X(o=-1.9!,f=-1.7) USER MOD Single : A 60 GLN : amide:sc= -5.75! C(o=-5.8!,f=-6.2!) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 65 TYR OH : rot 180:sc= -1.88! USER MOD Single : A 66 GLN : amide:sc= -0.167 X(o=-0.17,f=0.21) USER MOD Single : A 67 ASN : amide:sc= -1.05 K(o=-1.1,f=-0.36) USER MOD ----------------------------------------------------------------- ATOM 319 N PHE A 24 -12.899 -2.677 4.675 1.00 0.00 N ATOM 320 CA PHE A 24 -12.122 -2.666 5.908 1.00 0.00 C ATOM 321 C PHE A 24 -12.948 -2.114 7.067 1.00 0.00 C ATOM 322 O PHE A 24 -13.849 -1.299 6.870 1.00 0.00 O ATOM 323 CB PHE A 24 -10.853 -1.830 5.729 1.00 0.00 C ATOM 324 CG PHE A 24 -10.010 -2.262 4.563 1.00 0.00 C ATOM 325 CD1 PHE A 24 -9.220 -3.397 4.645 1.00 0.00 C ATOM 326 CD2 PHE A 24 -10.009 -1.534 3.384 1.00 0.00 C ATOM 327 CE1 PHE A 24 -8.444 -3.797 3.574 1.00 0.00 C ATOM 328 CE2 PHE A 24 -9.235 -1.928 2.310 1.00 0.00 C ATOM 329 CZ PHE A 24 -8.452 -3.062 2.404 1.00 0.00 C ATOM 0 HA PHE A 24 -11.843 -3.694 6.141 1.00 0.00 H new ATOM 0 HB2 PHE A 24 -11.132 -0.784 5.598 1.00 0.00 H new ATOM 0 HB3 PHE A 24 -10.257 -1.889 6.640 1.00 0.00 H new ATOM 0 HD1 PHE A 24 -9.211 -3.976 5.557 1.00 0.00 H new ATOM 0 HD2 PHE A 24 -10.621 -0.648 3.304 1.00 0.00 H new ATOM 0 HE1 PHE A 24 -7.832 -4.683 3.651 1.00 0.00 H new ATOM 0 HE2 PHE A 24 -9.242 -1.350 1.398 1.00 0.00 H new ATOM 0 HZ PHE A 24 -7.847 -3.373 1.565 1.00 0.00 H new ATOM 339 N THR A 25 -12.634 -2.566 8.277 1.00 0.00 N ATOM 340 CA THR A 25 -13.347 -2.120 9.468 1.00 0.00 C ATOM 341 C THR A 25 -12.520 -1.114 10.260 1.00 0.00 C ATOM 342 O THR A 25 -11.291 -1.182 10.274 1.00 0.00 O ATOM 343 CB THR A 25 -13.708 -3.305 10.383 1.00 0.00 C ATOM 344 OG1 THR A 25 -12.515 -3.935 10.862 1.00 0.00 O ATOM 345 CG2 THR A 25 -14.562 -4.322 9.640 1.00 0.00 C ATOM 0 H THR A 25 -11.891 -3.241 8.458 1.00 0.00 H new ATOM 0 HA THR A 25 -14.265 -1.642 9.126 1.00 0.00 H new ATOM 0 HB THR A 25 -14.280 -2.922 11.228 1.00 0.00 H new ATOM 0 HG1 THR A 25 -12.753 -4.686 11.444 1.00 0.00 H new ATOM 0 HG21 THR A 25 -14.804 -5.150 10.306 1.00 0.00 H new ATOM 0 HG22 THR A 25 -15.483 -3.846 9.302 1.00 0.00 H new ATOM 0 HG23 THR A 25 -14.011 -4.699 8.778 1.00 0.00 H new ATOM 353 N GLU A 26 -13.201 -0.183 10.919 1.00 0.00 N ATOM 354 CA GLU A 26 -12.527 0.837 11.714 1.00 0.00 C ATOM 355 C GLU A 26 -11.289 0.264 12.398 1.00 0.00 C ATOM 356 O GLU A 26 -10.242 0.910 12.454 1.00 0.00 O ATOM 357 CB GLU A 26 -13.482 1.412 12.762 1.00 0.00 C ATOM 358 CG GLU A 26 -14.399 2.496 12.221 1.00 0.00 C ATOM 359 CD GLU A 26 -15.461 2.914 13.219 1.00 0.00 C ATOM 360 OE1 GLU A 26 -16.043 2.024 13.875 1.00 0.00 O ATOM 361 OE2 GLU A 26 -15.710 4.131 13.345 1.00 0.00 O ATOM 0 H GLU A 26 -14.219 -0.114 10.918 1.00 0.00 H new ATOM 0 HA GLU A 26 -12.213 1.636 11.042 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -14.090 0.604 13.170 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -12.899 1.820 13.588 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -13.803 3.366 11.945 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -14.881 2.138 11.312 1.00 0.00 H new ATOM 368 N LEU A 27 -11.417 -0.952 12.917 1.00 0.00 N ATOM 369 CA LEU A 27 -10.310 -1.614 13.598 1.00 0.00 C ATOM 370 C LEU A 27 -9.189 -1.946 12.618 1.00 0.00 C ATOM 371 O LEU A 27 -8.053 -1.503 12.786 1.00 0.00 O ATOM 372 CB LEU A 27 -10.797 -2.890 14.285 1.00 0.00 C ATOM 373 CG LEU A 27 -9.813 -3.550 15.252 1.00 0.00 C ATOM 374 CD1 LEU A 27 -10.553 -4.428 16.250 1.00 0.00 C ATOM 375 CD2 LEU A 27 -8.778 -4.362 14.489 1.00 0.00 C ATOM 0 H LEU A 27 -12.277 -1.500 12.879 1.00 0.00 H new ATOM 0 HA LEU A 27 -9.919 -0.931 14.352 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -11.712 -2.658 14.831 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -11.060 -3.615 13.515 1.00 0.00 H new ATOM 0 HG LEU A 27 -9.295 -2.766 15.804 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -9.837 -4.889 16.930 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -11.254 -3.819 16.820 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -11.099 -5.206 15.716 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -8.087 -4.824 15.194 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -9.279 -5.138 13.910 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -8.226 -3.707 13.816 1.00 0.00 H new ATOM 387 N GLN A 28 -9.517 -2.728 11.594 1.00 0.00 N ATOM 388 CA GLN A 28 -8.538 -3.118 10.587 1.00 0.00 C ATOM 389 C GLN A 28 -7.790 -1.900 10.054 1.00 0.00 C ATOM 390 O GLN A 28 -6.567 -1.922 9.912 1.00 0.00 O ATOM 391 CB GLN A 28 -9.225 -3.854 9.435 1.00 0.00 C ATOM 392 CG GLN A 28 -9.808 -5.200 9.835 1.00 0.00 C ATOM 393 CD GLN A 28 -10.618 -5.838 8.724 1.00 0.00 C ATOM 394 OE1 GLN A 28 -11.279 -5.149 7.947 1.00 0.00 O ATOM 395 NE2 GLN A 28 -10.569 -7.163 8.642 1.00 0.00 N ATOM 0 H GLN A 28 -10.453 -3.104 11.440 1.00 0.00 H new ATOM 0 HA GLN A 28 -7.817 -3.787 11.057 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -10.022 -3.226 9.037 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -8.506 -4.004 8.630 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -8.999 -5.872 10.121 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -10.441 -5.071 10.713 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -10.008 -7.695 9.307 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -11.092 -7.649 7.914 1.00 0.00 H new ATOM 404 N LEU A 29 -8.533 -0.839 9.759 1.00 0.00 N ATOM 405 CA LEU A 29 -7.941 0.389 9.241 1.00 0.00 C ATOM 406 C LEU A 29 -6.969 0.994 10.250 1.00 0.00 C ATOM 407 O LEU A 29 -5.852 1.372 9.901 1.00 0.00 O ATOM 408 CB LEU A 29 -9.035 1.402 8.900 1.00 0.00 C ATOM 409 CG LEU A 29 -9.779 1.169 7.584 1.00 0.00 C ATOM 410 CD1 LEU A 29 -10.930 2.153 7.440 1.00 0.00 C ATOM 411 CD2 LEU A 29 -8.825 1.284 6.404 1.00 0.00 C ATOM 0 H LEU A 29 -9.546 -0.805 9.870 1.00 0.00 H new ATOM 0 HA LEU A 29 -7.388 0.142 8.335 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -9.764 1.406 9.710 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -8.586 2.395 8.870 1.00 0.00 H new ATOM 0 HG LEU A 29 -10.190 0.160 7.595 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -11.448 1.972 6.498 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -11.627 2.022 8.268 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -10.542 3.171 7.451 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -9.372 1.115 5.476 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -8.383 2.280 6.389 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -8.035 0.539 6.500 1.00 0.00 H new ATOM 423 N MET A 30 -7.403 1.079 11.503 1.00 0.00 N ATOM 424 CA MET A 30 -6.571 1.634 12.564 1.00 0.00 C ATOM 425 C MET A 30 -5.213 0.941 12.608 1.00 0.00 C ATOM 426 O MET A 30 -4.179 1.589 12.765 1.00 0.00 O ATOM 427 CB MET A 30 -7.271 1.496 13.917 1.00 0.00 C ATOM 428 CG MET A 30 -6.423 1.959 15.090 1.00 0.00 C ATOM 429 SD MET A 30 -7.414 2.408 16.528 1.00 0.00 S ATOM 430 CE MET A 30 -7.833 0.789 17.170 1.00 0.00 C ATOM 0 H MET A 30 -8.326 0.771 11.809 1.00 0.00 H new ATOM 0 HA MET A 30 -6.413 2.691 12.352 1.00 0.00 H new ATOM 0 HB2 MET A 30 -8.196 2.072 13.899 1.00 0.00 H new ATOM 0 HB3 MET A 30 -7.548 0.453 14.069 1.00 0.00 H new ATOM 0 HG2 MET A 30 -5.727 1.166 15.366 1.00 0.00 H new ATOM 0 HG3 MET A 30 -5.824 2.817 14.784 1.00 0.00 H new ATOM 0 HE1 MET A 30 -8.447 0.900 18.064 1.00 0.00 H new ATOM 0 HE2 MET A 30 -8.388 0.231 16.416 1.00 0.00 H new ATOM 0 HE3 MET A 30 -6.920 0.250 17.422 1.00 0.00 H new ATOM 440 N GLY A 31 -5.223 -0.382 12.469 1.00 0.00 N ATOM 441 CA GLY A 31 -3.987 -1.141 12.496 1.00 0.00 C ATOM 442 C GLY A 31 -3.129 -0.895 11.271 1.00 0.00 C ATOM 443 O GLY A 31 -1.964 -0.511 11.386 1.00 0.00 O ATOM 0 H GLY A 31 -6.066 -0.941 12.338 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -3.422 -0.878 13.390 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -4.218 -2.204 12.566 1.00 0.00 H new ATOM 447 N LEU A 32 -3.703 -1.119 10.094 1.00 0.00 N ATOM 448 CA LEU A 32 -2.983 -0.921 8.841 1.00 0.00 C ATOM 449 C LEU A 32 -2.199 0.387 8.864 1.00 0.00 C ATOM 450 O LEU A 32 -1.022 0.423 8.506 1.00 0.00 O ATOM 451 CB LEU A 32 -3.959 -0.923 7.663 1.00 0.00 C ATOM 452 CG LEU A 32 -4.454 -2.295 7.204 1.00 0.00 C ATOM 453 CD1 LEU A 32 -5.626 -2.146 6.246 1.00 0.00 C ATOM 454 CD2 LEU A 32 -3.325 -3.079 6.552 1.00 0.00 C ATOM 0 H LEU A 32 -4.665 -1.438 9.981 1.00 0.00 H new ATOM 0 HA LEU A 32 -2.278 -1.744 8.722 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -4.825 -0.318 7.933 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -3.478 -0.431 6.818 1.00 0.00 H new ATOM 0 HG LEU A 32 -4.795 -2.849 8.079 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -5.965 -3.132 5.930 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -6.442 -1.625 6.747 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -5.312 -1.573 5.373 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -3.696 -4.053 6.232 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -2.953 -2.530 5.687 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -2.516 -3.217 7.270 1.00 0.00 H new ATOM 466 N GLU A 33 -2.859 1.460 9.290 1.00 0.00 N ATOM 467 CA GLU A 33 -2.222 2.770 9.362 1.00 0.00 C ATOM 468 C GLU A 33 -1.000 2.731 10.274 1.00 0.00 C ATOM 469 O GLU A 33 0.039 3.314 9.964 1.00 0.00 O ATOM 470 CB GLU A 33 -3.216 3.818 9.866 1.00 0.00 C ATOM 471 CG GLU A 33 -4.408 4.019 8.945 1.00 0.00 C ATOM 472 CD GLU A 33 -5.417 5.004 9.504 1.00 0.00 C ATOM 473 OE1 GLU A 33 -5.134 6.220 9.482 1.00 0.00 O ATOM 474 OE2 GLU A 33 -6.490 4.558 9.962 1.00 0.00 O ATOM 0 H GLU A 33 -3.834 1.448 9.590 1.00 0.00 H new ATOM 0 HA GLU A 33 -1.896 3.043 8.358 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -3.575 3.522 10.852 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -2.698 4.769 9.988 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -4.058 4.374 7.976 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -4.897 3.060 8.776 1.00 0.00 H new ATOM 481 N LYS A 34 -1.132 2.041 11.402 1.00 0.00 N ATOM 482 CA LYS A 34 -0.040 1.925 12.361 1.00 0.00 C ATOM 483 C LYS A 34 1.217 1.379 11.690 1.00 0.00 C ATOM 484 O LYS A 34 2.292 1.972 11.789 1.00 0.00 O ATOM 485 CB LYS A 34 -0.447 1.015 13.522 1.00 0.00 C ATOM 486 CG LYS A 34 0.416 1.185 14.760 1.00 0.00 C ATOM 487 CD LYS A 34 0.068 2.459 15.511 1.00 0.00 C ATOM 488 CE LYS A 34 -1.177 2.280 16.366 1.00 0.00 C ATOM 489 NZ LYS A 34 -0.854 1.716 17.706 1.00 0.00 N ATOM 0 H LYS A 34 -1.985 1.553 11.674 1.00 0.00 H new ATOM 0 HA LYS A 34 0.178 2.921 12.747 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -1.486 1.216 13.783 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -0.396 -0.023 13.194 1.00 0.00 H new ATOM 0 HG2 LYS A 34 0.284 0.326 15.418 1.00 0.00 H new ATOM 0 HG3 LYS A 34 1.467 1.207 14.472 1.00 0.00 H new ATOM 0 HD2 LYS A 34 0.906 2.750 16.144 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -0.091 3.270 14.800 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -1.675 3.242 16.487 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -1.877 1.620 15.854 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -1.729 1.609 18.258 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -0.401 0.787 17.592 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -0.206 2.358 18.206 1.00 0.00 H new ATOM 503 N ARG A 35 1.074 0.248 11.008 1.00 0.00 N ATOM 504 CA ARG A 35 2.198 -0.377 10.321 1.00 0.00 C ATOM 505 C ARG A 35 2.670 0.485 9.154 1.00 0.00 C ATOM 506 O ARG A 35 3.791 0.993 9.157 1.00 0.00 O ATOM 507 CB ARG A 35 1.806 -1.767 9.817 1.00 0.00 C ATOM 508 CG ARG A 35 2.047 -2.874 10.831 1.00 0.00 C ATOM 509 CD ARG A 35 1.736 -2.410 12.246 1.00 0.00 C ATOM 510 NE ARG A 35 1.547 -3.533 13.161 1.00 0.00 N ATOM 511 CZ ARG A 35 0.899 -3.438 14.316 1.00 0.00 C ATOM 512 NH1 ARG A 35 0.379 -2.279 14.696 1.00 0.00 N ATOM 513 NH2 ARG A 35 0.769 -4.505 15.095 1.00 0.00 N ATOM 0 H ARG A 35 0.191 -0.255 10.916 1.00 0.00 H new ATOM 0 HA ARG A 35 3.018 -0.474 11.033 1.00 0.00 H new ATOM 0 HB2 ARG A 35 0.751 -1.760 9.543 1.00 0.00 H new ATOM 0 HB3 ARG A 35 2.369 -1.988 8.910 1.00 0.00 H new ATOM 0 HG2 ARG A 35 1.427 -3.736 10.585 1.00 0.00 H new ATOM 0 HG3 ARG A 35 3.085 -3.202 10.774 1.00 0.00 H new ATOM 0 HD2 ARG A 35 2.549 -1.780 12.608 1.00 0.00 H new ATOM 0 HD3 ARG A 35 0.836 -1.795 12.236 1.00 0.00 H new ATOM 0 HE ARG A 35 1.934 -4.439 12.898 1.00 0.00 H new ATOM 0 HH11 ARG A 35 0.476 -1.457 14.100 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -0.118 -2.210 15.584 1.00 0.00 H new ATOM 0 HH21 ARG A 35 1.167 -5.399 14.806 1.00 0.00 H new ATOM 0 HH22 ARG A 35 0.271 -4.431 15.982 1.00 0.00 H new ATOM 527 N PHE A 36 1.806 0.645 8.157 1.00 0.00 N ATOM 528 CA PHE A 36 2.134 1.444 6.982 1.00 0.00 C ATOM 529 C PHE A 36 2.955 2.670 7.370 1.00 0.00 C ATOM 530 O PHE A 36 3.945 2.998 6.717 1.00 0.00 O ATOM 531 CB PHE A 36 0.856 1.879 6.262 1.00 0.00 C ATOM 532 CG PHE A 36 1.112 2.701 5.031 1.00 0.00 C ATOM 533 CD1 PHE A 36 1.671 3.965 5.131 1.00 0.00 C ATOM 534 CD2 PHE A 36 0.793 2.211 3.775 1.00 0.00 C ATOM 535 CE1 PHE A 36 1.907 4.724 4.000 1.00 0.00 C ATOM 536 CE2 PHE A 36 1.026 2.965 2.641 1.00 0.00 C ATOM 537 CZ PHE A 36 1.585 4.223 2.754 1.00 0.00 C ATOM 0 H PHE A 36 0.874 0.232 8.139 1.00 0.00 H new ATOM 0 HA PHE A 36 2.730 0.828 6.309 1.00 0.00 H new ATOM 0 HB2 PHE A 36 0.285 0.993 5.985 1.00 0.00 H new ATOM 0 HB3 PHE A 36 0.238 2.454 6.951 1.00 0.00 H new ATOM 0 HD1 PHE A 36 1.925 4.361 6.103 1.00 0.00 H new ATOM 0 HD2 PHE A 36 0.357 1.227 3.681 1.00 0.00 H new ATOM 0 HE1 PHE A 36 2.343 5.708 4.091 1.00 0.00 H new ATOM 0 HE2 PHE A 36 0.772 2.571 1.668 1.00 0.00 H new ATOM 0 HZ PHE A 36 1.770 4.814 1.869 1.00 0.00 H new ATOM 547 N GLU A 37 2.535 3.342 8.437 1.00 0.00 N ATOM 548 CA GLU A 37 3.231 4.533 8.912 1.00 0.00 C ATOM 549 C GLU A 37 4.652 4.193 9.352 1.00 0.00 C ATOM 550 O GLU A 37 5.612 4.854 8.955 1.00 0.00 O ATOM 551 CB GLU A 37 2.464 5.170 10.072 1.00 0.00 C ATOM 552 CG GLU A 37 1.356 6.110 9.626 1.00 0.00 C ATOM 553 CD GLU A 37 1.847 7.175 8.664 1.00 0.00 C ATOM 554 OE1 GLU A 37 2.959 7.700 8.878 1.00 0.00 O ATOM 555 OE2 GLU A 37 1.118 7.482 7.697 1.00 0.00 O ATOM 0 H GLU A 37 1.717 3.083 8.989 1.00 0.00 H new ATOM 0 HA GLU A 37 3.285 5.245 8.088 1.00 0.00 H new ATOM 0 HB2 GLU A 37 2.033 4.381 10.689 1.00 0.00 H new ATOM 0 HB3 GLU A 37 3.164 5.720 10.701 1.00 0.00 H new ATOM 0 HG2 GLU A 37 0.564 5.532 9.149 1.00 0.00 H new ATOM 0 HG3 GLU A 37 0.918 6.590 10.501 1.00 0.00 H new ATOM 562 N LYS A 38 4.778 3.159 10.176 1.00 0.00 N ATOM 563 CA LYS A 38 6.080 2.729 10.672 1.00 0.00 C ATOM 564 C LYS A 38 6.989 2.310 9.521 1.00 0.00 C ATOM 565 O LYS A 38 8.132 2.758 9.426 1.00 0.00 O ATOM 566 CB LYS A 38 5.917 1.568 11.655 1.00 0.00 C ATOM 567 CG LYS A 38 5.497 2.005 13.048 1.00 0.00 C ATOM 568 CD LYS A 38 6.668 2.579 13.829 1.00 0.00 C ATOM 569 CE LYS A 38 6.428 2.503 15.329 1.00 0.00 C ATOM 570 NZ LYS A 38 7.512 3.172 16.099 1.00 0.00 N ATOM 0 H LYS A 38 3.993 2.602 10.515 1.00 0.00 H new ATOM 0 HA LYS A 38 6.540 3.572 11.188 1.00 0.00 H new ATOM 0 HB2 LYS A 38 5.176 0.872 11.263 1.00 0.00 H new ATOM 0 HB3 LYS A 38 6.860 1.025 11.722 1.00 0.00 H new ATOM 0 HG2 LYS A 38 4.707 2.752 12.973 1.00 0.00 H new ATOM 0 HG3 LYS A 38 5.081 1.154 13.587 1.00 0.00 H new ATOM 0 HD2 LYS A 38 7.577 2.033 13.577 1.00 0.00 H new ATOM 0 HD3 LYS A 38 6.828 3.617 13.537 1.00 0.00 H new ATOM 0 HE2 LYS A 38 5.472 2.969 15.568 1.00 0.00 H new ATOM 0 HE3 LYS A 38 6.358 1.459 15.633 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 7.311 3.098 17.117 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 8.421 2.711 15.891 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 7.562 4.175 15.828 1.00 0.00 H new ATOM 584 N GLN A 39 6.473 1.451 8.648 1.00 0.00 N ATOM 585 CA GLN A 39 7.240 0.973 7.503 1.00 0.00 C ATOM 586 C GLN A 39 6.472 1.194 6.204 1.00 0.00 C ATOM 587 O GLN A 39 5.593 0.408 5.848 1.00 0.00 O ATOM 588 CB GLN A 39 7.571 -0.511 7.667 1.00 0.00 C ATOM 589 CG GLN A 39 8.873 -0.922 6.998 1.00 0.00 C ATOM 590 CD GLN A 39 9.440 -2.208 7.565 1.00 0.00 C ATOM 591 OE1 GLN A 39 10.119 -2.201 8.592 1.00 0.00 O ATOM 592 NE2 GLN A 39 9.164 -3.322 6.897 1.00 0.00 N ATOM 0 H GLN A 39 5.528 1.072 8.711 1.00 0.00 H new ATOM 0 HA GLN A 39 8.169 1.542 7.457 1.00 0.00 H new ATOM 0 HB2 GLN A 39 7.628 -0.747 8.730 1.00 0.00 H new ATOM 0 HB3 GLN A 39 6.756 -1.104 7.252 1.00 0.00 H new ATOM 0 HG2 GLN A 39 8.704 -1.044 5.928 1.00 0.00 H new ATOM 0 HG3 GLN A 39 9.605 -0.123 7.116 1.00 0.00 H new ATOM 0 HE21 GLN A 39 8.597 -3.282 6.050 1.00 0.00 H new ATOM 0 HE22 GLN A 39 9.519 -4.218 7.231 1.00 0.00 H new ATOM 601 N LYS A 40 6.808 2.268 5.498 1.00 0.00 N ATOM 602 CA LYS A 40 6.151 2.593 4.238 1.00 0.00 C ATOM 603 C LYS A 40 5.818 1.327 3.456 1.00 0.00 C ATOM 604 O LYS A 40 4.828 1.279 2.725 1.00 0.00 O ATOM 605 CB LYS A 40 7.045 3.506 3.394 1.00 0.00 C ATOM 606 CG LYS A 40 7.218 4.897 3.979 1.00 0.00 C ATOM 607 CD LYS A 40 5.987 5.756 3.748 1.00 0.00 C ATOM 608 CE LYS A 40 5.855 6.838 4.810 1.00 0.00 C ATOM 609 NZ LYS A 40 4.433 7.209 5.050 1.00 0.00 N ATOM 0 H LYS A 40 7.533 2.929 5.778 1.00 0.00 H new ATOM 0 HA LYS A 40 5.221 3.114 4.465 1.00 0.00 H new ATOM 0 HB2 LYS A 40 8.025 3.042 3.286 1.00 0.00 H new ATOM 0 HB3 LYS A 40 6.621 3.592 2.394 1.00 0.00 H new ATOM 0 HG2 LYS A 40 7.414 4.821 5.048 1.00 0.00 H new ATOM 0 HG3 LYS A 40 8.087 5.377 3.529 1.00 0.00 H new ATOM 0 HD2 LYS A 40 6.044 6.217 2.762 1.00 0.00 H new ATOM 0 HD3 LYS A 40 5.097 5.127 3.755 1.00 0.00 H new ATOM 0 HE2 LYS A 40 6.301 6.489 5.741 1.00 0.00 H new ATOM 0 HE3 LYS A 40 6.413 7.721 4.500 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 4.386 7.949 5.780 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 4.014 7.566 4.168 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 3.905 6.372 5.370 1.00 0.00 H new ATOM 623 N TYR A 41 6.648 0.302 3.616 1.00 0.00 N ATOM 624 CA TYR A 41 6.441 -0.965 2.924 1.00 0.00 C ATOM 625 C TYR A 41 6.569 -2.139 3.889 1.00 0.00 C ATOM 626 O TYR A 41 6.790 -1.954 5.087 1.00 0.00 O ATOM 627 CB TYR A 41 7.448 -1.116 1.783 1.00 0.00 C ATOM 628 CG TYR A 41 7.338 -0.036 0.731 1.00 0.00 C ATOM 629 CD1 TYR A 41 7.773 1.258 0.988 1.00 0.00 C ATOM 630 CD2 TYR A 41 6.799 -0.309 -0.521 1.00 0.00 C ATOM 631 CE1 TYR A 41 7.674 2.249 0.030 1.00 0.00 C ATOM 632 CE2 TYR A 41 6.697 0.675 -1.485 1.00 0.00 C ATOM 633 CZ TYR A 41 7.135 1.952 -1.205 1.00 0.00 C ATOM 634 OH TYR A 41 7.036 2.936 -2.162 1.00 0.00 O ATOM 0 H TYR A 41 7.470 0.324 4.219 1.00 0.00 H new ATOM 0 HA TYR A 41 5.432 -0.965 2.512 1.00 0.00 H new ATOM 0 HB2 TYR A 41 8.457 -1.107 2.196 1.00 0.00 H new ATOM 0 HB3 TYR A 41 7.306 -2.088 1.310 1.00 0.00 H new ATOM 0 HD1 TYR A 41 8.196 1.494 1.953 1.00 0.00 H new ATOM 0 HD2 TYR A 41 6.454 -1.308 -0.744 1.00 0.00 H new ATOM 0 HE1 TYR A 41 8.016 3.250 0.247 1.00 0.00 H new ATOM 0 HE2 TYR A 41 6.276 0.445 -2.453 1.00 0.00 H new ATOM 0 HH TYR A 41 6.636 2.563 -2.975 1.00 0.00 H new ATOM 644 N LEU A 42 6.429 -3.349 3.359 1.00 0.00 N ATOM 645 CA LEU A 42 6.530 -4.557 4.172 1.00 0.00 C ATOM 646 C LEU A 42 7.174 -5.692 3.383 1.00 0.00 C ATOM 647 O LEU A 42 6.928 -5.848 2.187 1.00 0.00 O ATOM 648 CB LEU A 42 5.144 -4.982 4.661 1.00 0.00 C ATOM 649 CG LEU A 42 4.481 -4.059 5.684 1.00 0.00 C ATOM 650 CD1 LEU A 42 2.987 -4.333 5.760 1.00 0.00 C ATOM 651 CD2 LEU A 42 5.126 -4.227 7.052 1.00 0.00 C ATOM 0 H LEU A 42 6.245 -3.520 2.370 1.00 0.00 H new ATOM 0 HA LEU A 42 7.161 -4.335 5.033 1.00 0.00 H new ATOM 0 HB2 LEU A 42 4.486 -5.066 3.796 1.00 0.00 H new ATOM 0 HB3 LEU A 42 5.224 -5.977 5.098 1.00 0.00 H new ATOM 0 HG LEU A 42 4.625 -3.028 5.361 1.00 0.00 H new ATOM 0 HD11 LEU A 42 2.532 -3.667 6.493 1.00 0.00 H new ATOM 0 HD12 LEU A 42 2.535 -4.160 4.783 1.00 0.00 H new ATOM 0 HD13 LEU A 42 2.822 -5.368 6.058 1.00 0.00 H new ATOM 0 HD21 LEU A 42 4.641 -3.562 7.767 1.00 0.00 H new ATOM 0 HD22 LEU A 42 5.014 -5.260 7.383 1.00 0.00 H new ATOM 0 HD23 LEU A 42 6.186 -3.980 6.988 1.00 0.00 H new ATOM 663 N SER A 43 7.998 -6.484 4.061 1.00 0.00 N ATOM 664 CA SER A 43 8.678 -7.605 3.423 1.00 0.00 C ATOM 665 C SER A 43 7.687 -8.705 3.055 1.00 0.00 C ATOM 666 O SER A 43 6.477 -8.551 3.228 1.00 0.00 O ATOM 667 CB SER A 43 9.759 -8.167 4.349 1.00 0.00 C ATOM 668 OG SER A 43 10.580 -7.132 4.861 1.00 0.00 O ATOM 0 H SER A 43 8.211 -6.370 5.052 1.00 0.00 H new ATOM 0 HA SER A 43 9.145 -7.240 2.508 1.00 0.00 H new ATOM 0 HB2 SER A 43 9.292 -8.706 5.173 1.00 0.00 H new ATOM 0 HB3 SER A 43 10.371 -8.885 3.804 1.00 0.00 H new ATOM 0 HG SER A 43 11.261 -7.517 5.451 1.00 0.00 H new ATOM 674 N THR A 44 8.208 -9.816 2.545 1.00 0.00 N ATOM 675 CA THR A 44 7.371 -10.942 2.151 1.00 0.00 C ATOM 676 C THR A 44 6.638 -11.530 3.351 1.00 0.00 C ATOM 677 O THR A 44 5.409 -11.581 3.395 1.00 0.00 O ATOM 678 CB THR A 44 8.201 -12.051 1.476 1.00 0.00 C ATOM 679 OG1 THR A 44 8.228 -11.848 0.059 1.00 0.00 O ATOM 680 CG2 THR A 44 7.623 -13.423 1.786 1.00 0.00 C ATOM 0 H THR A 44 9.207 -9.960 2.395 1.00 0.00 H new ATOM 0 HA THR A 44 6.642 -10.558 1.437 1.00 0.00 H new ATOM 0 HB THR A 44 9.217 -12.005 1.869 1.00 0.00 H new ATOM 0 HG1 THR A 44 8.759 -12.556 -0.363 1.00 0.00 H new ATOM 0 HG21 THR A 44 8.225 -14.190 1.299 1.00 0.00 H new ATOM 0 HG22 THR A 44 7.630 -13.586 2.864 1.00 0.00 H new ATOM 0 HG23 THR A 44 6.599 -13.478 1.418 1.00 0.00 H new ATOM 688 N PRO A 45 7.409 -11.985 4.351 1.00 0.00 N ATOM 689 CA PRO A 45 6.854 -12.577 5.572 1.00 0.00 C ATOM 690 C PRO A 45 6.154 -11.545 6.450 1.00 0.00 C ATOM 691 O PRO A 45 5.066 -11.793 6.968 1.00 0.00 O ATOM 692 CB PRO A 45 8.087 -13.138 6.285 1.00 0.00 C ATOM 693 CG PRO A 45 9.222 -12.313 5.786 1.00 0.00 C ATOM 694 CD PRO A 45 8.881 -11.956 4.366 1.00 0.00 C ATOM 0 HA PRO A 45 6.093 -13.326 5.353 1.00 0.00 H new ATOM 0 HB2 PRO A 45 7.987 -13.061 7.368 1.00 0.00 H new ATOM 0 HB3 PRO A 45 8.233 -14.193 6.053 1.00 0.00 H new ATOM 0 HG2 PRO A 45 9.350 -11.417 6.394 1.00 0.00 H new ATOM 0 HG3 PRO A 45 10.159 -12.868 5.835 1.00 0.00 H new ATOM 0 HD2 PRO A 45 9.266 -10.973 4.095 1.00 0.00 H new ATOM 0 HD3 PRO A 45 9.304 -12.670 3.659 1.00 0.00 H new ATOM 702 N ASP A 46 6.785 -10.387 6.612 1.00 0.00 N ATOM 703 CA ASP A 46 6.222 -9.317 7.426 1.00 0.00 C ATOM 704 C ASP A 46 4.747 -9.105 7.101 1.00 0.00 C ATOM 705 O ASP A 46 3.884 -9.243 7.968 1.00 0.00 O ATOM 706 CB ASP A 46 6.997 -8.017 7.205 1.00 0.00 C ATOM 707 CG ASP A 46 8.242 -7.932 8.066 1.00 0.00 C ATOM 708 OD1 ASP A 46 9.120 -8.809 7.927 1.00 0.00 O ATOM 709 OD2 ASP A 46 8.339 -6.989 8.879 1.00 0.00 O ATOM 0 H ASP A 46 7.687 -10.166 6.190 1.00 0.00 H new ATOM 0 HA ASP A 46 6.307 -9.608 8.473 1.00 0.00 H new ATOM 0 HB2 ASP A 46 7.279 -7.939 6.155 1.00 0.00 H new ATOM 0 HB3 ASP A 46 6.348 -7.169 7.424 1.00 0.00 H new ATOM 714 N ARG A 47 4.465 -8.769 5.846 1.00 0.00 N ATOM 715 CA ARG A 47 3.095 -8.536 5.407 1.00 0.00 C ATOM 716 C ARG A 47 2.170 -9.647 5.897 1.00 0.00 C ATOM 717 O ARG A 47 1.051 -9.387 6.339 1.00 0.00 O ATOM 718 CB ARG A 47 3.034 -8.444 3.881 1.00 0.00 C ATOM 719 CG ARG A 47 1.633 -8.212 3.340 1.00 0.00 C ATOM 720 CD ARG A 47 1.628 -8.136 1.821 1.00 0.00 C ATOM 721 NE ARG A 47 1.905 -9.432 1.208 1.00 0.00 N ATOM 722 CZ ARG A 47 2.305 -9.578 -0.051 1.00 0.00 C ATOM 723 NH1 ARG A 47 2.474 -8.515 -0.824 1.00 0.00 N ATOM 724 NH2 ARG A 47 2.537 -10.791 -0.537 1.00 0.00 N ATOM 0 H ARG A 47 5.168 -8.652 5.116 1.00 0.00 H new ATOM 0 HA ARG A 47 2.759 -7.592 5.835 1.00 0.00 H new ATOM 0 HB2 ARG A 47 3.682 -7.633 3.548 1.00 0.00 H new ATOM 0 HB3 ARG A 47 3.431 -9.365 3.454 1.00 0.00 H new ATOM 0 HG2 ARG A 47 0.977 -9.019 3.667 1.00 0.00 H new ATOM 0 HG3 ARG A 47 1.231 -7.287 3.753 1.00 0.00 H new ATOM 0 HD2 ARG A 47 0.659 -7.773 1.479 1.00 0.00 H new ATOM 0 HD3 ARG A 47 2.374 -7.412 1.492 1.00 0.00 H new ATOM 0 HE ARG A 47 1.785 -10.270 1.777 1.00 0.00 H new ATOM 0 HH11 ARG A 47 2.297 -7.581 -0.453 1.00 0.00 H new ATOM 0 HH12 ARG A 47 2.781 -8.630 -1.790 1.00 0.00 H new ATOM 0 HH21 ARG A 47 2.408 -11.611 0.056 1.00 0.00 H new ATOM 0 HH22 ARG A 47 2.844 -10.903 -1.503 1.00 0.00 H new ATOM 738 N ILE A 48 2.647 -10.885 5.815 1.00 0.00 N ATOM 739 CA ILE A 48 1.863 -12.035 6.250 1.00 0.00 C ATOM 740 C ILE A 48 1.568 -11.964 7.745 1.00 0.00 C ATOM 741 O ILE A 48 0.409 -11.978 8.160 1.00 0.00 O ATOM 742 CB ILE A 48 2.588 -13.358 5.943 1.00 0.00 C ATOM 743 CG1 ILE A 48 2.977 -13.421 4.465 1.00 0.00 C ATOM 744 CG2 ILE A 48 1.709 -14.543 6.317 1.00 0.00 C ATOM 745 CD1 ILE A 48 3.955 -14.530 4.144 1.00 0.00 C ATOM 0 H ILE A 48 3.571 -11.117 5.452 1.00 0.00 H new ATOM 0 HA ILE A 48 0.925 -12.007 5.695 1.00 0.00 H new ATOM 0 HB ILE A 48 3.499 -13.403 6.541 1.00 0.00 H new ATOM 0 HG12 ILE A 48 2.076 -13.557 3.866 1.00 0.00 H new ATOM 0 HG13 ILE A 48 3.414 -12.466 4.172 1.00 0.00 H new ATOM 0 HG21 ILE A 48 2.235 -15.471 6.094 1.00 0.00 H new ATOM 0 HG22 ILE A 48 1.478 -14.503 7.382 1.00 0.00 H new ATOM 0 HG23 ILE A 48 0.783 -14.504 5.743 1.00 0.00 H new ATOM 0 HD11 ILE A 48 4.186 -14.515 3.079 1.00 0.00 H new ATOM 0 HD12 ILE A 48 4.871 -14.384 4.716 1.00 0.00 H new ATOM 0 HD13 ILE A 48 3.513 -15.492 4.406 1.00 0.00 H new ATOM 757 N ASP A 49 2.623 -11.888 8.548 1.00 0.00 N ATOM 758 CA ASP A 49 2.478 -11.812 9.997 1.00 0.00 C ATOM 759 C ASP A 49 1.383 -10.821 10.382 1.00 0.00 C ATOM 760 O ASP A 49 0.513 -11.128 11.197 1.00 0.00 O ATOM 761 CB ASP A 49 3.803 -11.404 10.643 1.00 0.00 C ATOM 762 CG ASP A 49 3.854 -11.743 12.120 1.00 0.00 C ATOM 763 OD1 ASP A 49 3.179 -12.709 12.531 1.00 0.00 O ATOM 764 OD2 ASP A 49 4.570 -11.040 12.865 1.00 0.00 O ATOM 0 H ASP A 49 3.589 -11.877 8.220 1.00 0.00 H new ATOM 0 HA ASP A 49 2.194 -12.799 10.362 1.00 0.00 H new ATOM 0 HB2 ASP A 49 4.624 -11.905 10.129 1.00 0.00 H new ATOM 0 HB3 ASP A 49 3.952 -10.332 10.514 1.00 0.00 H new ATOM 769 N LEU A 50 1.434 -9.633 9.791 1.00 0.00 N ATOM 770 CA LEU A 50 0.448 -8.596 10.073 1.00 0.00 C ATOM 771 C LEU A 50 -0.944 -9.033 9.628 1.00 0.00 C ATOM 772 O LEU A 50 -1.862 -9.138 10.441 1.00 0.00 O ATOM 773 CB LEU A 50 0.834 -7.293 9.371 1.00 0.00 C ATOM 774 CG LEU A 50 -0.290 -6.272 9.186 1.00 0.00 C ATOM 775 CD1 LEU A 50 -0.733 -5.716 10.530 1.00 0.00 C ATOM 776 CD2 LEU A 50 0.158 -5.147 8.263 1.00 0.00 C ATOM 0 H LEU A 50 2.147 -9.364 9.114 1.00 0.00 H new ATOM 0 HA LEU A 50 0.430 -8.430 11.150 1.00 0.00 H new ATOM 0 HB2 LEU A 50 1.636 -6.822 9.939 1.00 0.00 H new ATOM 0 HB3 LEU A 50 1.240 -7.539 8.390 1.00 0.00 H new ATOM 0 HG LEU A 50 -1.140 -6.776 8.726 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -1.533 -4.991 10.378 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -1.095 -6.529 11.159 1.00 0.00 H new ATOM 0 HD13 LEU A 50 0.111 -5.228 11.018 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -0.654 -4.430 8.143 1.00 0.00 H new ATOM 0 HD22 LEU A 50 1.024 -4.645 8.695 1.00 0.00 H new ATOM 0 HD23 LEU A 50 0.425 -5.559 7.290 1.00 0.00 H new ATOM 788 N ALA A 51 -1.093 -9.289 8.332 1.00 0.00 N ATOM 789 CA ALA A 51 -2.371 -9.719 7.780 1.00 0.00 C ATOM 790 C ALA A 51 -3.031 -10.765 8.673 1.00 0.00 C ATOM 791 O ALA A 51 -4.256 -10.861 8.729 1.00 0.00 O ATOM 792 CB ALA A 51 -2.181 -10.268 6.374 1.00 0.00 C ATOM 0 H ALA A 51 -0.344 -9.206 7.645 1.00 0.00 H new ATOM 0 HA ALA A 51 -3.029 -8.851 7.734 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -3.144 -10.585 5.974 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -1.760 -9.492 5.734 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -1.502 -11.120 6.405 1.00 0.00 H new ATOM 798 N GLU A 52 -2.210 -11.545 9.369 1.00 0.00 N ATOM 799 CA GLU A 52 -2.715 -12.585 10.257 1.00 0.00 C ATOM 800 C GLU A 52 -3.205 -11.985 11.572 1.00 0.00 C ATOM 801 O GLU A 52 -4.179 -12.458 12.158 1.00 0.00 O ATOM 802 CB GLU A 52 -1.627 -13.625 10.532 1.00 0.00 C ATOM 803 CG GLU A 52 -1.599 -14.758 9.520 1.00 0.00 C ATOM 804 CD GLU A 52 -2.879 -15.570 9.516 1.00 0.00 C ATOM 805 OE1 GLU A 52 -3.254 -16.091 10.588 1.00 0.00 O ATOM 806 OE2 GLU A 52 -3.507 -15.684 8.443 1.00 0.00 O ATOM 0 H GLU A 52 -1.193 -11.476 9.335 1.00 0.00 H new ATOM 0 HA GLU A 52 -3.556 -13.072 9.764 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -0.656 -13.130 10.538 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -1.778 -14.042 11.528 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -1.431 -14.347 8.525 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -0.757 -15.415 9.739 1.00 0.00 H new ATOM 813 N SER A 53 -2.522 -10.942 12.031 1.00 0.00 N ATOM 814 CA SER A 53 -2.883 -10.280 13.279 1.00 0.00 C ATOM 815 C SER A 53 -4.217 -9.551 13.140 1.00 0.00 C ATOM 816 O SER A 53 -5.061 -9.601 14.036 1.00 0.00 O ATOM 817 CB SER A 53 -1.790 -9.293 13.693 1.00 0.00 C ATOM 818 OG SER A 53 -2.013 -8.806 15.005 1.00 0.00 O ATOM 0 H SER A 53 -1.715 -10.537 11.557 1.00 0.00 H new ATOM 0 HA SER A 53 -2.984 -11.043 14.051 1.00 0.00 H new ATOM 0 HB2 SER A 53 -0.817 -9.781 13.644 1.00 0.00 H new ATOM 0 HB3 SER A 53 -1.764 -8.459 12.992 1.00 0.00 H new ATOM 0 HG SER A 53 -1.300 -8.178 15.247 1.00 0.00 H new ATOM 824 N LEU A 54 -4.399 -8.874 12.012 1.00 0.00 N ATOM 825 CA LEU A 54 -5.629 -8.133 11.754 1.00 0.00 C ATOM 826 C LEU A 54 -6.668 -9.022 11.078 1.00 0.00 C ATOM 827 O LEU A 54 -7.870 -8.788 11.194 1.00 0.00 O ATOM 828 CB LEU A 54 -5.338 -6.912 10.880 1.00 0.00 C ATOM 829 CG LEU A 54 -4.467 -5.826 11.512 1.00 0.00 C ATOM 830 CD1 LEU A 54 -4.173 -4.725 10.505 1.00 0.00 C ATOM 831 CD2 LEU A 54 -5.142 -5.253 12.749 1.00 0.00 C ATOM 0 H LEU A 54 -3.711 -8.823 11.261 1.00 0.00 H new ATOM 0 HA LEU A 54 -6.031 -7.799 12.711 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -4.853 -7.252 9.965 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -6.288 -6.464 10.589 1.00 0.00 H new ATOM 0 HG LEU A 54 -3.521 -6.276 11.815 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -3.552 -3.961 10.972 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -3.647 -5.146 9.648 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -5.109 -4.278 10.171 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -4.507 -4.482 13.185 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -6.102 -4.819 12.471 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -5.301 -6.048 13.478 1.00 0.00 H new ATOM 843 N GLY A 55 -6.195 -10.044 10.372 1.00 0.00 N ATOM 844 CA GLY A 55 -7.096 -10.954 9.689 1.00 0.00 C ATOM 845 C GLY A 55 -7.417 -10.502 8.278 1.00 0.00 C ATOM 846 O GLY A 55 -8.514 -10.748 7.774 1.00 0.00 O ATOM 0 H GLY A 55 -5.204 -10.258 10.261 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -6.648 -11.947 9.656 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -8.021 -11.040 10.259 1.00 0.00 H new ATOM 850 N LEU A 56 -6.461 -9.837 7.639 1.00 0.00 N ATOM 851 CA LEU A 56 -6.648 -9.347 6.278 1.00 0.00 C ATOM 852 C LEU A 56 -5.916 -10.233 5.275 1.00 0.00 C ATOM 853 O LEU A 56 -5.218 -11.173 5.656 1.00 0.00 O ATOM 854 CB LEU A 56 -6.150 -7.905 6.161 1.00 0.00 C ATOM 855 CG LEU A 56 -6.960 -6.852 6.918 1.00 0.00 C ATOM 856 CD1 LEU A 56 -6.198 -5.537 6.981 1.00 0.00 C ATOM 857 CD2 LEU A 56 -8.319 -6.652 6.263 1.00 0.00 C ATOM 0 H LEU A 56 -5.548 -9.625 8.042 1.00 0.00 H new ATOM 0 HA LEU A 56 -7.714 -9.376 6.051 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -5.120 -7.867 6.517 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -6.133 -7.632 5.106 1.00 0.00 H new ATOM 0 HG LEU A 56 -7.119 -7.206 7.937 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -6.790 -4.799 7.523 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -5.249 -5.691 7.495 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -6.008 -5.178 5.970 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -8.882 -5.899 6.815 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -8.182 -6.320 5.234 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -8.868 -7.593 6.270 1.00 0.00 H new ATOM 869 N SER A 57 -6.079 -9.925 3.992 1.00 0.00 N ATOM 870 CA SER A 57 -5.435 -10.694 2.934 1.00 0.00 C ATOM 871 C SER A 57 -4.176 -9.988 2.438 1.00 0.00 C ATOM 872 O SER A 57 -4.172 -8.774 2.239 1.00 0.00 O ATOM 873 CB SER A 57 -6.404 -10.912 1.770 1.00 0.00 C ATOM 874 OG SER A 57 -7.262 -12.011 2.020 1.00 0.00 O ATOM 0 H SER A 57 -6.651 -9.149 3.661 1.00 0.00 H new ATOM 0 HA SER A 57 -5.149 -11.662 3.345 1.00 0.00 H new ATOM 0 HB2 SER A 57 -6.998 -10.011 1.613 1.00 0.00 H new ATOM 0 HB3 SER A 57 -5.842 -11.087 0.853 1.00 0.00 H new ATOM 0 HG SER A 57 -7.872 -12.128 1.262 1.00 0.00 H new ATOM 880 N GLN A 58 -3.111 -10.759 2.242 1.00 0.00 N ATOM 881 CA GLN A 58 -1.847 -10.208 1.770 1.00 0.00 C ATOM 882 C GLN A 58 -2.083 -9.107 0.740 1.00 0.00 C ATOM 883 O GLN A 58 -1.432 -8.062 0.773 1.00 0.00 O ATOM 884 CB GLN A 58 -0.979 -11.312 1.163 1.00 0.00 C ATOM 885 CG GLN A 58 -0.715 -12.469 2.114 1.00 0.00 C ATOM 886 CD GLN A 58 0.163 -13.540 1.499 1.00 0.00 C ATOM 887 OE1 GLN A 58 0.381 -13.560 0.287 1.00 0.00 O ATOM 888 NE2 GLN A 58 0.673 -14.439 2.333 1.00 0.00 N ATOM 0 H GLN A 58 -3.099 -11.766 2.403 1.00 0.00 H new ATOM 0 HA GLN A 58 -1.327 -9.776 2.625 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -1.466 -11.694 0.266 1.00 0.00 H new ATOM 0 HB3 GLN A 58 -0.026 -10.884 0.851 1.00 0.00 H new ATOM 0 HG2 GLN A 58 -0.239 -12.090 3.019 1.00 0.00 H new ATOM 0 HG3 GLN A 58 -1.665 -12.911 2.415 1.00 0.00 H new ATOM 0 HE21 GLN A 58 0.466 -14.385 3.330 1.00 0.00 H new ATOM 0 HE22 GLN A 58 1.272 -15.184 1.976 1.00 0.00 H new ATOM 897 N LEU A 59 -3.017 -9.349 -0.172 1.00 0.00 N ATOM 898 CA LEU A 59 -3.340 -8.378 -1.213 1.00 0.00 C ATOM 899 C LEU A 59 -3.747 -7.041 -0.602 1.00 0.00 C ATOM 900 O LEU A 59 -3.321 -5.982 -1.064 1.00 0.00 O ATOM 901 CB LEU A 59 -4.465 -8.909 -2.102 1.00 0.00 C ATOM 902 CG LEU A 59 -5.081 -7.905 -3.077 1.00 0.00 C ATOM 903 CD1 LEU A 59 -4.080 -7.528 -4.159 1.00 0.00 C ATOM 904 CD2 LEU A 59 -6.350 -8.472 -3.696 1.00 0.00 C ATOM 0 H LEU A 59 -3.564 -10.209 -0.213 1.00 0.00 H new ATOM 0 HA LEU A 59 -2.448 -8.223 -1.820 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -4.080 -9.753 -2.675 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -5.257 -9.294 -1.460 1.00 0.00 H new ATOM 0 HG LEU A 59 -5.343 -7.004 -2.523 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -4.536 -6.813 -4.843 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -3.199 -7.079 -3.699 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -3.786 -8.421 -4.710 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -6.775 -7.744 -4.387 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -6.113 -9.389 -4.235 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -7.073 -8.690 -2.910 1.00 0.00 H new ATOM 916 N GLN A 60 -4.572 -7.098 0.439 1.00 0.00 N ATOM 917 CA GLN A 60 -5.035 -5.891 1.113 1.00 0.00 C ATOM 918 C GLN A 60 -3.880 -4.923 1.350 1.00 0.00 C ATOM 919 O GLN A 60 -3.906 -3.784 0.883 1.00 0.00 O ATOM 920 CB GLN A 60 -5.698 -6.248 2.444 1.00 0.00 C ATOM 921 CG GLN A 60 -6.971 -7.064 2.290 1.00 0.00 C ATOM 922 CD GLN A 60 -8.098 -6.273 1.655 1.00 0.00 C ATOM 923 OE1 GLN A 60 -7.999 -5.841 0.507 1.00 0.00 O ATOM 924 NE2 GLN A 60 -9.179 -6.079 2.402 1.00 0.00 N ATOM 0 H GLN A 60 -4.933 -7.967 0.833 1.00 0.00 H new ATOM 0 HA GLN A 60 -5.767 -5.403 0.469 1.00 0.00 H new ATOM 0 HB2 GLN A 60 -4.989 -6.807 3.055 1.00 0.00 H new ATOM 0 HB3 GLN A 60 -5.928 -5.329 2.984 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -6.762 -7.944 1.682 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -7.290 -7.421 3.269 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -9.219 -6.455 3.349 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -9.970 -5.554 2.028 1.00 0.00 H new ATOM 933 N VAL A 61 -2.868 -5.383 2.078 1.00 0.00 N ATOM 934 CA VAL A 61 -1.704 -4.558 2.377 1.00 0.00 C ATOM 935 C VAL A 61 -1.068 -4.022 1.099 1.00 0.00 C ATOM 936 O VAL A 61 -0.882 -2.815 0.944 1.00 0.00 O ATOM 937 CB VAL A 61 -0.646 -5.347 3.171 1.00 0.00 C ATOM 938 CG1 VAL A 61 0.596 -4.498 3.398 1.00 0.00 C ATOM 939 CG2 VAL A 61 -1.222 -5.827 4.494 1.00 0.00 C ATOM 0 H VAL A 61 -2.831 -6.323 2.472 1.00 0.00 H new ATOM 0 HA VAL A 61 -2.055 -3.723 2.983 1.00 0.00 H new ATOM 0 HB VAL A 61 -0.357 -6.221 2.588 1.00 0.00 H new ATOM 0 HG11 VAL A 61 1.332 -5.073 3.961 1.00 0.00 H new ATOM 0 HG12 VAL A 61 1.020 -4.209 2.436 1.00 0.00 H new ATOM 0 HG13 VAL A 61 0.328 -3.603 3.960 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -0.461 -6.383 5.042 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -1.541 -4.968 5.085 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -2.078 -6.475 4.305 1.00 0.00 H new ATOM 949 N LYS A 62 -0.737 -4.927 0.184 1.00 0.00 N ATOM 950 CA LYS A 62 -0.124 -4.546 -1.082 1.00 0.00 C ATOM 951 C LYS A 62 -0.860 -3.368 -1.711 1.00 0.00 C ATOM 952 O LYS A 62 -0.309 -2.274 -1.839 1.00 0.00 O ATOM 953 CB LYS A 62 -0.120 -5.733 -2.048 1.00 0.00 C ATOM 954 CG LYS A 62 0.724 -5.505 -3.290 1.00 0.00 C ATOM 955 CD LYS A 62 0.535 -6.619 -4.305 1.00 0.00 C ATOM 956 CE LYS A 62 1.516 -7.758 -4.072 1.00 0.00 C ATOM 957 NZ LYS A 62 1.568 -8.692 -5.230 1.00 0.00 N ATOM 0 H LYS A 62 -0.883 -5.930 0.296 1.00 0.00 H new ATOM 0 HA LYS A 62 0.904 -4.244 -0.882 1.00 0.00 H new ATOM 0 HB2 LYS A 62 0.250 -6.615 -1.525 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -1.145 -5.948 -2.350 1.00 0.00 H new ATOM 0 HG2 LYS A 62 0.456 -4.550 -3.742 1.00 0.00 H new ATOM 0 HG3 LYS A 62 1.775 -5.441 -3.010 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -0.485 -6.998 -4.245 1.00 0.00 H new ATOM 0 HD3 LYS A 62 0.669 -6.222 -5.311 1.00 0.00 H new ATOM 0 HE2 LYS A 62 2.510 -7.349 -3.890 1.00 0.00 H new ATOM 0 HE3 LYS A 62 1.228 -8.307 -3.175 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 2.248 -9.454 -5.031 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 0.625 -9.102 -5.388 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 1.867 -8.174 -6.081 1.00 0.00 H new ATOM 971 N THR A 63 -2.110 -3.597 -2.102 1.00 0.00 N ATOM 972 CA THR A 63 -2.922 -2.555 -2.717 1.00 0.00 C ATOM 973 C THR A 63 -3.175 -1.409 -1.744 1.00 0.00 C ATOM 974 O THR A 63 -2.779 -0.271 -1.995 1.00 0.00 O ATOM 975 CB THR A 63 -4.275 -3.109 -3.201 1.00 0.00 C ATOM 976 OG1 THR A 63 -4.064 -4.224 -4.074 1.00 0.00 O ATOM 977 CG2 THR A 63 -5.072 -2.035 -3.926 1.00 0.00 C ATOM 0 H THR A 63 -2.582 -4.496 -2.003 1.00 0.00 H new ATOM 0 HA THR A 63 -2.362 -2.183 -3.575 1.00 0.00 H new ATOM 0 HB THR A 63 -4.842 -3.433 -2.329 1.00 0.00 H new ATOM 0 HG1 THR A 63 -4.929 -4.571 -4.376 1.00 0.00 H new ATOM 0 HG21 THR A 63 -6.023 -2.450 -4.258 1.00 0.00 H new ATOM 0 HG22 THR A 63 -5.257 -1.200 -3.250 1.00 0.00 H new ATOM 0 HG23 THR A 63 -4.508 -1.684 -4.790 1.00 0.00 H new ATOM 985 N TRP A 64 -3.834 -1.716 -0.633 1.00 0.00 N ATOM 986 CA TRP A 64 -4.139 -0.710 0.378 1.00 0.00 C ATOM 987 C TRP A 64 -2.984 0.273 0.532 1.00 0.00 C ATOM 988 O TRP A 64 -3.189 1.487 0.552 1.00 0.00 O ATOM 989 CB TRP A 64 -4.436 -1.381 1.720 1.00 0.00 C ATOM 990 CG TRP A 64 -4.921 -0.425 2.767 1.00 0.00 C ATOM 991 CD1 TRP A 64 -6.220 -0.162 3.099 1.00 0.00 C ATOM 992 CD2 TRP A 64 -4.114 0.397 3.618 1.00 0.00 C ATOM 993 NE1 TRP A 64 -6.269 0.773 4.104 1.00 0.00 N ATOM 994 CE2 TRP A 64 -4.990 1.132 4.441 1.00 0.00 C ATOM 995 CE3 TRP A 64 -2.737 0.582 3.766 1.00 0.00 C ATOM 996 CZ2 TRP A 64 -4.532 2.036 5.395 1.00 0.00 C ATOM 997 CZ3 TRP A 64 -2.284 1.481 4.713 1.00 0.00 C ATOM 998 CH2 TRP A 64 -3.179 2.198 5.518 1.00 0.00 C ATOM 0 H TRP A 64 -4.168 -2.654 -0.409 1.00 0.00 H new ATOM 0 HA TRP A 64 -5.021 -0.158 0.052 1.00 0.00 H new ATOM 0 HB2 TRP A 64 -5.186 -2.158 1.572 1.00 0.00 H new ATOM 0 HB3 TRP A 64 -3.533 -1.875 2.079 1.00 0.00 H new ATOM 0 HD1 TRP A 64 -7.082 -0.622 2.639 1.00 0.00 H new ATOM 0 HE1 TRP A 64 -7.120 1.141 4.530 1.00 0.00 H new ATOM 0 HE3 TRP A 64 -2.039 0.032 3.152 1.00 0.00 H new ATOM 0 HZ2 TRP A 64 -5.220 2.590 6.016 1.00 0.00 H new ATOM 0 HZ3 TRP A 64 -1.222 1.633 4.835 1.00 0.00 H new ATOM 0 HH2 TRP A 64 -2.793 2.892 6.250 1.00 0.00 H new ATOM 1009 N TYR A 65 -1.771 -0.257 0.640 1.00 0.00 N ATOM 1010 CA TYR A 65 -0.584 0.575 0.794 1.00 0.00 C ATOM 1011 C TYR A 65 -0.425 1.522 -0.391 1.00 0.00 C ATOM 1012 O TYR A 65 -0.339 2.738 -0.220 1.00 0.00 O ATOM 1013 CB TYR A 65 0.663 -0.300 0.934 1.00 0.00 C ATOM 1014 CG TYR A 65 0.989 -0.666 2.364 1.00 0.00 C ATOM 1015 CD1 TYR A 65 0.059 -1.318 3.164 1.00 0.00 C ATOM 1016 CD2 TYR A 65 2.228 -0.362 2.914 1.00 0.00 C ATOM 1017 CE1 TYR A 65 0.353 -1.654 4.472 1.00 0.00 C ATOM 1018 CE2 TYR A 65 2.531 -0.695 4.220 1.00 0.00 C ATOM 1019 CZ TYR A 65 1.590 -1.340 4.995 1.00 0.00 C ATOM 1020 OH TYR A 65 1.886 -1.675 6.297 1.00 0.00 O ATOM 0 H TYR A 65 -1.584 -1.260 0.624 1.00 0.00 H new ATOM 0 HA TYR A 65 -0.704 1.172 1.698 1.00 0.00 H new ATOM 0 HB2 TYR A 65 0.522 -1.214 0.357 1.00 0.00 H new ATOM 0 HB3 TYR A 65 1.514 0.223 0.499 1.00 0.00 H new ATOM 0 HD1 TYR A 65 -0.910 -1.566 2.757 1.00 0.00 H new ATOM 0 HD2 TYR A 65 2.967 0.143 2.310 1.00 0.00 H new ATOM 0 HE1 TYR A 65 -0.382 -2.160 5.081 1.00 0.00 H new ATOM 0 HE2 TYR A 65 3.499 -0.452 4.632 1.00 0.00 H new ATOM 0 HH TYR A 65 2.797 -1.385 6.510 1.00 0.00 H new ATOM 1030 N GLN A 66 -0.386 0.955 -1.592 1.00 0.00 N ATOM 1031 CA GLN A 66 -0.238 1.748 -2.807 1.00 0.00 C ATOM 1032 C GLN A 66 -1.198 2.933 -2.804 1.00 0.00 C ATOM 1033 O GLN A 66 -0.789 4.076 -3.009 1.00 0.00 O ATOM 1034 CB GLN A 66 -0.484 0.880 -4.042 1.00 0.00 C ATOM 1035 CG GLN A 66 -0.277 1.617 -5.355 1.00 0.00 C ATOM 1036 CD GLN A 66 1.062 2.325 -5.422 1.00 0.00 C ATOM 1037 OE1 GLN A 66 1.208 3.449 -4.941 1.00 0.00 O ATOM 1038 NE2 GLN A 66 2.049 1.669 -6.021 1.00 0.00 N ATOM 0 H GLN A 66 -0.455 -0.050 -1.750 1.00 0.00 H new ATOM 0 HA GLN A 66 0.782 2.130 -2.839 1.00 0.00 H new ATOM 0 HB2 GLN A 66 0.183 0.019 -4.009 1.00 0.00 H new ATOM 0 HB3 GLN A 66 -1.503 0.495 -4.008 1.00 0.00 H new ATOM 0 HG2 GLN A 66 -0.351 0.909 -6.180 1.00 0.00 H new ATOM 0 HG3 GLN A 66 -1.076 2.346 -5.488 1.00 0.00 H new ATOM 0 HE21 GLN A 66 1.884 0.739 -6.406 1.00 0.00 H new ATOM 0 HE22 GLN A 66 2.973 2.095 -6.096 1.00 0.00 H new ATOM 1047 N ASN A 67 -2.476 2.653 -2.571 1.00 0.00 N ATOM 1048 CA ASN A 67 -3.494 3.696 -2.542 1.00 0.00 C ATOM 1049 C ASN A 67 -3.146 4.769 -1.515 1.00 0.00 C ATOM 1050 O ASN A 67 -3.638 5.895 -1.587 1.00 0.00 O ATOM 1051 CB ASN A 67 -4.863 3.093 -2.221 1.00 0.00 C ATOM 1052 CG ASN A 67 -5.501 2.432 -3.428 1.00 0.00 C ATOM 1053 OD1 ASN A 67 -6.232 3.071 -4.185 1.00 0.00 O ATOM 1054 ND2 ASN A 67 -5.227 1.146 -3.612 1.00 0.00 N ATOM 0 H ASN A 67 -2.831 1.712 -2.400 1.00 0.00 H new ATOM 0 HA ASN A 67 -3.530 4.160 -3.528 1.00 0.00 H new ATOM 0 HB2 ASN A 67 -4.755 2.359 -1.423 1.00 0.00 H new ATOM 0 HB3 ASN A 67 -5.523 3.876 -1.847 1.00 0.00 H new ATOM 0 HD21 ASN A 67 -5.628 0.648 -4.407 1.00 0.00 H new ATOM 0 HD22 ASN A 67 -4.616 0.656 -2.959 1.00 0.00 H new ATOM 1061 N ARG A 68 -2.293 4.412 -0.560 1.00 0.00 N ATOM 1062 CA ARG A 68 -1.878 5.343 0.482 1.00 0.00 C ATOM 1063 C ARG A 68 -0.610 6.086 0.073 1.00 0.00 C ATOM 1064 O ARG A 68 -0.486 7.291 0.295 1.00 0.00 O ATOM 1065 CB ARG A 68 -1.645 4.598 1.797 1.00 0.00 C ATOM 1066 CG ARG A 68 -2.918 4.053 2.423 1.00 0.00 C ATOM 1067 CD ARG A 68 -3.783 5.169 2.989 1.00 0.00 C ATOM 1068 NE ARG A 68 -4.704 5.707 1.991 1.00 0.00 N ATOM 1069 CZ ARG A 68 -5.503 6.745 2.212 1.00 0.00 C ATOM 1070 NH1 ARG A 68 -5.494 7.353 3.390 1.00 0.00 N ATOM 1071 NH2 ARG A 68 -6.313 7.176 1.254 1.00 0.00 N ATOM 0 H ARG A 68 -1.876 3.484 -0.487 1.00 0.00 H new ATOM 0 HA ARG A 68 -2.676 6.072 0.622 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -0.955 3.773 1.620 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -1.161 5.271 2.505 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -3.483 3.497 1.675 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -2.663 3.351 3.217 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -4.350 4.792 3.840 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -3.144 5.970 3.362 1.00 0.00 H new ATOM 0 HE ARG A 68 -4.735 5.261 1.074 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -4.873 7.024 4.129 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -6.108 8.150 3.557 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -6.323 6.710 0.347 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -6.926 7.973 1.425 1.00 0.00 H new