USER MOD reduce.3.24.130724 H: found=0, std=0, add=385, rem=0, adj=12 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 USER MOD Single : A 28 GLN : amide:sc= -2.28 X(o=-2.3,f=-2.7) USER MOD Single : A 30 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 34 LYS NZ :NH3+ -163:sc= -0.0312 (180deg=-0.263) USER MOD Single : A 38 LYS NZ :NH3+ -162:sc= 0 (180deg=-0.403) USER MOD Single : A 39 GLN : amide:sc= 0 X(o=0,f=-0.12) USER MOD Single : A 40 LYS NZ :NH3+ -156:sc= 0.0264 (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= -0.79 X(o=-0.79,f=-0.68) USER MOD Single : A 60 GLN : amide:sc= -1.01 X(o=-1,f=-0.63) USER MOD Single : A 62 LYS NZ :NH3+ -177:sc= -0.594 (180deg=-0.616) USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 65 TYR OH : rot 165:sc= -2.19! USER MOD Single : A 66 GLN : amide:sc= -0.114 K(o=-0.11,f=-2.2!) USER MOD Single : A 67 ASN : amide:sc= -0.0829 K(o=-0.083,f=-1.5!) USER MOD ----------------------------------------------------------------- ATOM 319 N PHE A 24 -12.614 -1.097 4.802 1.00 0.00 N ATOM 320 CA PHE A 24 -11.877 -1.447 6.010 1.00 0.00 C ATOM 321 C PHE A 24 -12.502 -0.791 7.238 1.00 0.00 C ATOM 322 O PHE A 24 -12.802 0.403 7.234 1.00 0.00 O ATOM 323 CB PHE A 24 -10.413 -1.021 5.881 1.00 0.00 C ATOM 324 CG PHE A 24 -9.690 -1.696 4.751 1.00 0.00 C ATOM 325 CD1 PHE A 24 -9.069 -2.920 4.941 1.00 0.00 C ATOM 326 CD2 PHE A 24 -9.631 -1.107 3.498 1.00 0.00 C ATOM 327 CE1 PHE A 24 -8.402 -3.543 3.902 1.00 0.00 C ATOM 328 CE2 PHE A 24 -8.966 -1.725 2.456 1.00 0.00 C ATOM 329 CZ PHE A 24 -8.352 -2.945 2.658 1.00 0.00 C ATOM 0 HA PHE A 24 -11.924 -2.529 6.134 1.00 0.00 H new ATOM 0 HB2 PHE A 24 -10.368 0.059 5.737 1.00 0.00 H new ATOM 0 HB3 PHE A 24 -9.896 -1.240 6.815 1.00 0.00 H new ATOM 0 HD1 PHE A 24 -9.106 -3.393 5.911 1.00 0.00 H new ATOM 0 HD2 PHE A 24 -10.111 -0.153 3.334 1.00 0.00 H new ATOM 0 HE1 PHE A 24 -7.921 -4.496 4.063 1.00 0.00 H new ATOM 0 HE2 PHE A 24 -8.927 -1.254 1.485 1.00 0.00 H new ATOM 0 HZ PHE A 24 -7.834 -3.431 1.845 1.00 0.00 H new ATOM 339 N THR A 25 -12.698 -1.582 8.289 1.00 0.00 N ATOM 340 CA THR A 25 -13.289 -1.080 9.523 1.00 0.00 C ATOM 341 C THR A 25 -12.265 -0.311 10.350 1.00 0.00 C ATOM 342 O THR A 25 -11.060 -0.431 10.131 1.00 0.00 O ATOM 343 CB THR A 25 -13.864 -2.226 10.376 1.00 0.00 C ATOM 344 OG1 THR A 25 -12.820 -2.844 11.136 1.00 0.00 O ATOM 345 CG2 THR A 25 -14.543 -3.267 9.498 1.00 0.00 C ATOM 0 H THR A 25 -12.456 -2.573 8.310 1.00 0.00 H new ATOM 0 HA THR A 25 -14.098 -0.408 9.236 1.00 0.00 H new ATOM 0 HB THR A 25 -14.606 -1.806 11.055 1.00 0.00 H new ATOM 0 HG1 THR A 25 -13.195 -3.570 11.677 1.00 0.00 H new ATOM 0 HG21 THR A 25 -14.941 -4.066 10.123 1.00 0.00 H new ATOM 0 HG22 THR A 25 -15.357 -2.800 8.944 1.00 0.00 H new ATOM 0 HG23 THR A 25 -13.818 -3.681 8.798 1.00 0.00 H new ATOM 353 N GLU A 26 -12.753 0.479 11.302 1.00 0.00 N ATOM 354 CA GLU A 26 -11.879 1.268 12.162 1.00 0.00 C ATOM 355 C GLU A 26 -10.715 0.424 12.675 1.00 0.00 C ATOM 356 O GLU A 26 -9.566 0.869 12.682 1.00 0.00 O ATOM 357 CB GLU A 26 -12.668 1.840 13.341 1.00 0.00 C ATOM 358 CG GLU A 26 -13.468 3.084 12.993 1.00 0.00 C ATOM 359 CD GLU A 26 -14.316 3.575 14.149 1.00 0.00 C ATOM 360 OE1 GLU A 26 -15.468 3.111 14.280 1.00 0.00 O ATOM 361 OE2 GLU A 26 -13.827 4.423 14.925 1.00 0.00 O ATOM 0 H GLU A 26 -13.748 0.589 11.497 1.00 0.00 H new ATOM 0 HA GLU A 26 -11.476 2.091 11.571 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -13.347 1.075 13.718 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -11.976 2.078 14.149 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -12.785 3.876 12.686 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -14.112 2.870 12.140 1.00 0.00 H new ATOM 368 N LEU A 27 -11.020 -0.795 13.105 1.00 0.00 N ATOM 369 CA LEU A 27 -10.001 -1.702 13.621 1.00 0.00 C ATOM 370 C LEU A 27 -8.967 -2.026 12.548 1.00 0.00 C ATOM 371 O LEU A 27 -7.794 -1.674 12.677 1.00 0.00 O ATOM 372 CB LEU A 27 -10.648 -2.992 14.128 1.00 0.00 C ATOM 373 CG LEU A 27 -9.867 -3.760 15.196 1.00 0.00 C ATOM 374 CD1 LEU A 27 -10.237 -3.265 16.586 1.00 0.00 C ATOM 375 CD2 LEU A 27 -10.125 -5.254 15.074 1.00 0.00 C ATOM 0 H LEU A 27 -11.965 -1.178 13.107 1.00 0.00 H new ATOM 0 HA LEU A 27 -9.495 -1.207 14.450 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -11.631 -2.748 14.531 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -10.807 -3.654 13.277 1.00 0.00 H new ATOM 0 HG LEU A 27 -8.803 -3.582 15.040 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -9.672 -3.822 17.333 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -10.001 -2.204 16.669 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -11.304 -3.413 16.753 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -9.561 -5.784 15.842 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -11.189 -5.451 15.204 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -9.810 -5.598 14.089 1.00 0.00 H new ATOM 387 N GLN A 28 -9.410 -2.695 11.489 1.00 0.00 N ATOM 388 CA GLN A 28 -8.522 -3.065 10.393 1.00 0.00 C ATOM 389 C GLN A 28 -7.671 -1.876 9.958 1.00 0.00 C ATOM 390 O GLN A 28 -6.456 -1.996 9.795 1.00 0.00 O ATOM 391 CB GLN A 28 -9.333 -3.588 9.206 1.00 0.00 C ATOM 392 CG GLN A 28 -10.077 -4.881 9.501 1.00 0.00 C ATOM 393 CD GLN A 28 -10.757 -5.455 8.274 1.00 0.00 C ATOM 394 OE1 GLN A 28 -11.354 -4.725 7.482 1.00 0.00 O ATOM 395 NE2 GLN A 28 -10.671 -6.770 8.110 1.00 0.00 N ATOM 0 H GLN A 28 -10.378 -2.992 11.366 1.00 0.00 H new ATOM 0 HA GLN A 28 -7.858 -3.854 10.746 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -10.051 -2.826 8.903 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -8.663 -3.748 8.361 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -9.378 -5.615 9.901 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -10.824 -4.698 10.274 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -10.166 -7.337 8.791 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -11.110 -7.213 7.303 1.00 0.00 H new ATOM 404 N LEU A 29 -8.316 -0.730 9.770 1.00 0.00 N ATOM 405 CA LEU A 29 -7.618 0.481 9.353 1.00 0.00 C ATOM 406 C LEU A 29 -6.611 0.921 10.410 1.00 0.00 C ATOM 407 O LEU A 29 -5.461 1.228 10.097 1.00 0.00 O ATOM 408 CB LEU A 29 -8.621 1.605 9.088 1.00 0.00 C ATOM 409 CG LEU A 29 -9.322 1.574 7.730 1.00 0.00 C ATOM 410 CD1 LEU A 29 -10.346 2.695 7.631 1.00 0.00 C ATOM 411 CD2 LEU A 29 -8.305 1.678 6.602 1.00 0.00 C ATOM 0 H LEU A 29 -9.321 -0.614 9.900 1.00 0.00 H new ATOM 0 HA LEU A 29 -7.077 0.260 8.433 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -9.382 1.577 9.868 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -8.101 2.558 9.184 1.00 0.00 H new ATOM 0 HG LEU A 29 -9.845 0.622 7.635 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -10.835 2.657 6.657 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -11.092 2.576 8.416 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -9.846 3.656 7.748 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -8.822 1.654 5.643 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -7.754 2.614 6.694 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -7.610 0.840 6.660 1.00 0.00 H new ATOM 423 N MET A 30 -7.051 0.946 11.664 1.00 0.00 N ATOM 424 CA MET A 30 -6.186 1.345 12.769 1.00 0.00 C ATOM 425 C MET A 30 -4.831 0.649 12.677 1.00 0.00 C ATOM 426 O MET A 30 -3.791 1.261 12.916 1.00 0.00 O ATOM 427 CB MET A 30 -6.850 1.020 14.108 1.00 0.00 C ATOM 428 CG MET A 30 -5.918 1.166 15.300 1.00 0.00 C ATOM 429 SD MET A 30 -6.796 1.579 16.820 1.00 0.00 S ATOM 430 CE MET A 30 -7.102 -0.054 17.488 1.00 0.00 C ATOM 0 H MET A 30 -8.000 0.695 11.940 1.00 0.00 H new ATOM 0 HA MET A 30 -6.027 2.421 12.703 1.00 0.00 H new ATOM 0 HB2 MET A 30 -7.709 1.676 14.247 1.00 0.00 H new ATOM 0 HB3 MET A 30 -7.230 -0.001 14.077 1.00 0.00 H new ATOM 0 HG2 MET A 30 -5.369 0.235 15.443 1.00 0.00 H new ATOM 0 HG3 MET A 30 -5.182 1.941 15.088 1.00 0.00 H new ATOM 0 HE1 MET A 30 -7.640 0.034 18.432 1.00 0.00 H new ATOM 0 HE2 MET A 30 -7.700 -0.630 16.782 1.00 0.00 H new ATOM 0 HE3 MET A 30 -6.152 -0.562 17.657 1.00 0.00 H new ATOM 440 N GLY A 31 -4.852 -0.634 12.330 1.00 0.00 N ATOM 441 CA GLY A 31 -3.620 -1.391 12.213 1.00 0.00 C ATOM 442 C GLY A 31 -2.905 -1.138 10.901 1.00 0.00 C ATOM 443 O GLY A 31 -1.678 -1.040 10.862 1.00 0.00 O ATOM 0 H GLY A 31 -5.701 -1.163 12.128 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -2.958 -1.132 13.039 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -3.841 -2.455 12.303 1.00 0.00 H new ATOM 447 N LEU A 32 -3.673 -1.033 9.822 1.00 0.00 N ATOM 448 CA LEU A 32 -3.106 -0.791 8.500 1.00 0.00 C ATOM 449 C LEU A 32 -2.325 0.519 8.473 1.00 0.00 C ATOM 450 O LEU A 32 -1.245 0.596 7.888 1.00 0.00 O ATOM 451 CB LEU A 32 -4.215 -0.758 7.446 1.00 0.00 C ATOM 452 CG LEU A 32 -4.782 -2.115 7.026 1.00 0.00 C ATOM 453 CD1 LEU A 32 -5.985 -1.931 6.114 1.00 0.00 C ATOM 454 CD2 LEU A 32 -3.712 -2.950 6.338 1.00 0.00 C ATOM 0 H LEU A 32 -4.690 -1.112 9.837 1.00 0.00 H new ATOM 0 HA LEU A 32 -2.420 -1.606 8.272 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -5.033 -0.147 7.827 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -3.830 -0.257 6.558 1.00 0.00 H new ATOM 0 HG LEU A 32 -5.108 -2.644 7.921 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -6.375 -2.907 5.825 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -6.759 -1.372 6.641 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -5.684 -1.382 5.222 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -4.133 -3.912 6.046 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -3.356 -2.426 5.451 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -2.880 -3.111 7.023 1.00 0.00 H new ATOM 466 N GLU A 33 -2.878 1.544 9.113 1.00 0.00 N ATOM 467 CA GLU A 33 -2.231 2.850 9.164 1.00 0.00 C ATOM 468 C GLU A 33 -0.953 2.793 9.997 1.00 0.00 C ATOM 469 O GLU A 33 0.064 3.386 9.637 1.00 0.00 O ATOM 470 CB GLU A 33 -3.186 3.895 9.746 1.00 0.00 C ATOM 471 CG GLU A 33 -4.422 4.130 8.895 1.00 0.00 C ATOM 472 CD GLU A 33 -5.040 5.495 9.127 1.00 0.00 C ATOM 473 OE1 GLU A 33 -4.853 6.050 10.230 1.00 0.00 O ATOM 474 OE2 GLU A 33 -5.709 6.009 8.206 1.00 0.00 O ATOM 0 H GLU A 33 -3.771 1.496 9.603 1.00 0.00 H new ATOM 0 HA GLU A 33 -1.968 3.136 8.146 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -3.496 3.577 10.742 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -2.652 4.838 9.864 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -4.158 4.029 7.842 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -5.161 3.359 9.114 1.00 0.00 H new ATOM 481 N LYS A 34 -1.014 2.075 11.113 1.00 0.00 N ATOM 482 CA LYS A 34 0.136 1.938 11.999 1.00 0.00 C ATOM 483 C LYS A 34 1.288 1.234 11.290 1.00 0.00 C ATOM 484 O LYS A 34 2.379 1.788 11.155 1.00 0.00 O ATOM 485 CB LYS A 34 -0.253 1.161 13.258 1.00 0.00 C ATOM 486 CG LYS A 34 0.554 1.547 14.485 1.00 0.00 C ATOM 487 CD LYS A 34 1.844 0.750 14.578 1.00 0.00 C ATOM 488 CE LYS A 34 1.589 -0.671 15.058 1.00 0.00 C ATOM 489 NZ LYS A 34 1.164 -0.706 16.485 1.00 0.00 N ATOM 0 H LYS A 34 -1.848 1.579 11.426 1.00 0.00 H new ATOM 0 HA LYS A 34 0.464 2.938 12.284 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -1.311 1.325 13.463 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -0.126 0.095 13.071 1.00 0.00 H new ATOM 0 HG2 LYS A 34 0.785 2.612 14.449 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -0.043 1.380 15.381 1.00 0.00 H new ATOM 0 HD2 LYS A 34 2.328 0.724 13.602 1.00 0.00 H new ATOM 0 HD3 LYS A 34 2.532 1.248 15.261 1.00 0.00 H new ATOM 0 HE2 LYS A 34 0.819 -1.131 14.438 1.00 0.00 H new ATOM 0 HE3 LYS A 34 2.495 -1.264 14.934 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 1.277 -1.670 16.857 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 1.752 -0.050 17.038 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 0.166 -0.422 16.557 1.00 0.00 H new ATOM 503 N ARG A 35 1.038 0.009 10.837 1.00 0.00 N ATOM 504 CA ARG A 35 2.054 -0.770 10.141 1.00 0.00 C ATOM 505 C ARG A 35 2.585 -0.012 8.928 1.00 0.00 C ATOM 506 O ARG A 35 3.794 0.063 8.710 1.00 0.00 O ATOM 507 CB ARG A 35 1.481 -2.119 9.702 1.00 0.00 C ATOM 508 CG ARG A 35 1.280 -3.097 10.848 1.00 0.00 C ATOM 509 CD ARG A 35 2.603 -3.670 11.331 1.00 0.00 C ATOM 510 NE ARG A 35 2.968 -4.887 10.611 1.00 0.00 N ATOM 511 CZ ARG A 35 4.177 -5.435 10.658 1.00 0.00 C ATOM 512 NH1 ARG A 35 5.133 -4.877 11.388 1.00 0.00 N ATOM 513 NH2 ARG A 35 4.432 -6.544 9.976 1.00 0.00 N ATOM 0 H ARG A 35 0.140 -0.465 10.940 1.00 0.00 H new ATOM 0 HA ARG A 35 2.880 -0.941 10.831 1.00 0.00 H new ATOM 0 HB2 ARG A 35 0.525 -1.954 9.205 1.00 0.00 H new ATOM 0 HB3 ARG A 35 2.150 -2.566 8.967 1.00 0.00 H new ATOM 0 HG2 ARG A 35 0.778 -2.593 11.674 1.00 0.00 H new ATOM 0 HG3 ARG A 35 0.627 -3.908 10.525 1.00 0.00 H new ATOM 0 HD2 ARG A 35 3.388 -2.925 11.205 1.00 0.00 H new ATOM 0 HD3 ARG A 35 2.537 -3.886 12.397 1.00 0.00 H new ATOM 0 HE ARG A 35 2.255 -5.341 10.040 1.00 0.00 H new ATOM 0 HH11 ARG A 35 4.941 -4.025 11.915 1.00 0.00 H new ATOM 0 HH12 ARG A 35 6.061 -5.300 11.423 1.00 0.00 H new ATOM 0 HH21 ARG A 35 3.699 -6.977 9.414 1.00 0.00 H new ATOM 0 HH22 ARG A 35 5.361 -6.963 10.013 1.00 0.00 H new ATOM 527 N PHE A 36 1.673 0.548 8.141 1.00 0.00 N ATOM 528 CA PHE A 36 2.048 1.299 6.948 1.00 0.00 C ATOM 529 C PHE A 36 2.903 2.509 7.315 1.00 0.00 C ATOM 530 O PHE A 36 3.946 2.750 6.709 1.00 0.00 O ATOM 531 CB PHE A 36 0.799 1.754 6.191 1.00 0.00 C ATOM 532 CG PHE A 36 1.102 2.596 4.985 1.00 0.00 C ATOM 533 CD1 PHE A 36 1.651 3.861 5.128 1.00 0.00 C ATOM 534 CD2 PHE A 36 0.839 2.124 3.710 1.00 0.00 C ATOM 535 CE1 PHE A 36 1.930 4.638 4.020 1.00 0.00 C ATOM 536 CE2 PHE A 36 1.117 2.896 2.598 1.00 0.00 C ATOM 537 CZ PHE A 36 1.664 4.155 2.753 1.00 0.00 C ATOM 0 H PHE A 36 0.668 0.496 8.308 1.00 0.00 H new ATOM 0 HA PHE A 36 2.634 0.642 6.305 1.00 0.00 H new ATOM 0 HB2 PHE A 36 0.234 0.876 5.878 1.00 0.00 H new ATOM 0 HB3 PHE A 36 0.160 2.320 6.868 1.00 0.00 H new ATOM 0 HD1 PHE A 36 1.863 4.243 6.116 1.00 0.00 H new ATOM 0 HD2 PHE A 36 0.411 1.140 3.583 1.00 0.00 H new ATOM 0 HE1 PHE A 36 2.356 5.623 4.144 1.00 0.00 H new ATOM 0 HE2 PHE A 36 0.907 2.516 1.609 1.00 0.00 H new ATOM 0 HZ PHE A 36 1.883 4.760 1.886 1.00 0.00 H new ATOM 547 N GLU A 37 2.451 3.266 8.310 1.00 0.00 N ATOM 548 CA GLU A 37 3.174 4.451 8.756 1.00 0.00 C ATOM 549 C GLU A 37 4.573 4.084 9.242 1.00 0.00 C ATOM 550 O GLU A 37 5.570 4.632 8.771 1.00 0.00 O ATOM 551 CB GLU A 37 2.402 5.156 9.874 1.00 0.00 C ATOM 552 CG GLU A 37 1.284 6.052 9.370 1.00 0.00 C ATOM 553 CD GLU A 37 1.787 7.400 8.891 1.00 0.00 C ATOM 554 OE1 GLU A 37 2.578 7.430 7.926 1.00 0.00 O ATOM 555 OE2 GLU A 37 1.388 8.425 9.483 1.00 0.00 O ATOM 0 H GLU A 37 1.589 3.080 8.822 1.00 0.00 H new ATOM 0 HA GLU A 37 3.269 5.128 7.907 1.00 0.00 H new ATOM 0 HB2 GLU A 37 1.981 4.405 10.543 1.00 0.00 H new ATOM 0 HB3 GLU A 37 3.097 5.754 10.463 1.00 0.00 H new ATOM 0 HG2 GLU A 37 0.763 5.552 8.554 1.00 0.00 H new ATOM 0 HG3 GLU A 37 0.557 6.202 10.168 1.00 0.00 H new ATOM 562 N LYS A 38 4.640 3.154 10.188 1.00 0.00 N ATOM 563 CA LYS A 38 5.915 2.712 10.739 1.00 0.00 C ATOM 564 C LYS A 38 6.844 2.220 9.634 1.00 0.00 C ATOM 565 O LYS A 38 7.985 2.667 9.526 1.00 0.00 O ATOM 566 CB LYS A 38 5.692 1.600 11.766 1.00 0.00 C ATOM 567 CG LYS A 38 4.945 2.058 13.007 1.00 0.00 C ATOM 568 CD LYS A 38 5.792 2.993 13.854 1.00 0.00 C ATOM 569 CE LYS A 38 4.965 3.664 14.940 1.00 0.00 C ATOM 570 NZ LYS A 38 4.767 2.773 16.117 1.00 0.00 N ATOM 0 H LYS A 38 3.825 2.691 10.590 1.00 0.00 H new ATOM 0 HA LYS A 38 6.385 3.564 11.231 1.00 0.00 H new ATOM 0 HB2 LYS A 38 5.135 0.789 11.296 1.00 0.00 H new ATOM 0 HB3 LYS A 38 6.658 1.193 12.064 1.00 0.00 H new ATOM 0 HG2 LYS A 38 4.025 2.564 12.713 1.00 0.00 H new ATOM 0 HG3 LYS A 38 4.656 1.190 13.600 1.00 0.00 H new ATOM 0 HD2 LYS A 38 6.608 2.433 14.310 1.00 0.00 H new ATOM 0 HD3 LYS A 38 6.244 3.753 13.217 1.00 0.00 H new ATOM 0 HE2 LYS A 38 5.460 4.582 15.258 1.00 0.00 H new ATOM 0 HE3 LYS A 38 3.995 3.950 14.533 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 3.971 3.123 16.687 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 4.561 1.807 15.791 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 5.631 2.765 16.696 1.00 0.00 H new ATOM 584 N GLN A 39 6.346 1.299 8.816 1.00 0.00 N ATOM 585 CA GLN A 39 7.132 0.747 7.719 1.00 0.00 C ATOM 586 C GLN A 39 6.434 0.973 6.382 1.00 0.00 C ATOM 587 O GLN A 39 5.568 0.194 5.982 1.00 0.00 O ATOM 588 CB GLN A 39 7.372 -0.748 7.936 1.00 0.00 C ATOM 589 CG GLN A 39 8.676 -1.249 7.336 1.00 0.00 C ATOM 590 CD GLN A 39 9.176 -2.516 8.002 1.00 0.00 C ATOM 591 OE1 GLN A 39 9.335 -2.568 9.222 1.00 0.00 O ATOM 592 NE2 GLN A 39 9.427 -3.545 7.202 1.00 0.00 N ATOM 0 H GLN A 39 5.402 0.919 8.892 1.00 0.00 H new ATOM 0 HA GLN A 39 8.092 1.262 7.699 1.00 0.00 H new ATOM 0 HB2 GLN A 39 7.371 -0.956 9.006 1.00 0.00 H new ATOM 0 HB3 GLN A 39 6.543 -1.307 7.501 1.00 0.00 H new ATOM 0 HG2 GLN A 39 8.534 -1.434 6.271 1.00 0.00 H new ATOM 0 HG3 GLN A 39 9.435 -0.472 7.426 1.00 0.00 H new ATOM 0 HE21 GLN A 39 9.281 -3.457 6.196 1.00 0.00 H new ATOM 0 HE22 GLN A 39 9.766 -4.424 7.593 1.00 0.00 H new ATOM 601 N LYS A 40 6.816 2.044 5.694 1.00 0.00 N ATOM 602 CA LYS A 40 6.228 2.373 4.401 1.00 0.00 C ATOM 603 C LYS A 40 5.883 1.107 3.622 1.00 0.00 C ATOM 604 O LYS A 40 4.833 1.027 2.985 1.00 0.00 O ATOM 605 CB LYS A 40 7.191 3.239 3.585 1.00 0.00 C ATOM 606 CG LYS A 40 7.503 4.577 4.233 1.00 0.00 C ATOM 607 CD LYS A 40 6.298 5.502 4.210 1.00 0.00 C ATOM 608 CE LYS A 40 6.137 6.174 2.856 1.00 0.00 C ATOM 609 NZ LYS A 40 4.711 6.480 2.555 1.00 0.00 N ATOM 0 H LYS A 40 7.531 2.699 6.011 1.00 0.00 H new ATOM 0 HA LYS A 40 5.309 2.931 4.580 1.00 0.00 H new ATOM 0 HB2 LYS A 40 8.121 2.691 3.436 1.00 0.00 H new ATOM 0 HB3 LYS A 40 6.762 3.414 2.598 1.00 0.00 H new ATOM 0 HG2 LYS A 40 7.821 4.418 5.263 1.00 0.00 H new ATOM 0 HG3 LYS A 40 8.336 5.049 3.712 1.00 0.00 H new ATOM 0 HD2 LYS A 40 5.398 4.934 4.445 1.00 0.00 H new ATOM 0 HD3 LYS A 40 6.407 6.262 4.984 1.00 0.00 H new ATOM 0 HE2 LYS A 40 6.718 7.096 2.837 1.00 0.00 H new ATOM 0 HE3 LYS A 40 6.541 5.526 2.078 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 4.580 6.547 1.525 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 4.106 5.723 2.933 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 4.449 7.385 2.997 1.00 0.00 H new ATOM 623 N TYR A 41 6.771 0.122 3.680 1.00 0.00 N ATOM 624 CA TYR A 41 6.560 -1.140 2.980 1.00 0.00 C ATOM 625 C TYR A 41 6.993 -2.321 3.843 1.00 0.00 C ATOM 626 O TYR A 41 8.130 -2.379 4.312 1.00 0.00 O ATOM 627 CB TYR A 41 7.331 -1.149 1.659 1.00 0.00 C ATOM 628 CG TYR A 41 7.489 0.222 1.040 1.00 0.00 C ATOM 629 CD1 TYR A 41 8.571 1.031 1.363 1.00 0.00 C ATOM 630 CD2 TYR A 41 6.556 0.707 0.132 1.00 0.00 C ATOM 631 CE1 TYR A 41 8.719 2.284 0.801 1.00 0.00 C ATOM 632 CE2 TYR A 41 6.697 1.958 -0.436 1.00 0.00 C ATOM 633 CZ TYR A 41 7.779 2.743 -0.098 1.00 0.00 C ATOM 634 OH TYR A 41 7.924 3.990 -0.662 1.00 0.00 O ATOM 0 H TYR A 41 7.644 0.172 4.205 1.00 0.00 H new ATOM 0 HA TYR A 41 5.494 -1.237 2.772 1.00 0.00 H new ATOM 0 HB2 TYR A 41 8.319 -1.578 1.827 1.00 0.00 H new ATOM 0 HB3 TYR A 41 6.817 -1.800 0.952 1.00 0.00 H new ATOM 0 HD1 TYR A 41 9.309 0.674 2.066 1.00 0.00 H new ATOM 0 HD2 TYR A 41 5.706 0.096 -0.134 1.00 0.00 H new ATOM 0 HE1 TYR A 41 9.566 2.901 1.064 1.00 0.00 H new ATOM 0 HE2 TYR A 41 5.963 2.320 -1.141 1.00 0.00 H new ATOM 0 HH TYR A 41 7.178 4.161 -1.274 1.00 0.00 H new ATOM 644 N LEU A 42 6.078 -3.262 4.047 1.00 0.00 N ATOM 645 CA LEU A 42 6.363 -4.445 4.853 1.00 0.00 C ATOM 646 C LEU A 42 7.072 -5.511 4.023 1.00 0.00 C ATOM 647 O LEU A 42 6.847 -5.626 2.819 1.00 0.00 O ATOM 648 CB LEU A 42 5.068 -5.013 5.435 1.00 0.00 C ATOM 649 CG LEU A 42 4.156 -4.013 6.146 1.00 0.00 C ATOM 650 CD1 LEU A 42 2.700 -4.436 6.021 1.00 0.00 C ATOM 651 CD2 LEU A 42 4.550 -3.877 7.609 1.00 0.00 C ATOM 0 H LEU A 42 5.132 -3.229 3.666 1.00 0.00 H new ATOM 0 HA LEU A 42 7.022 -4.149 5.669 1.00 0.00 H new ATOM 0 HB2 LEU A 42 4.503 -5.478 4.627 1.00 0.00 H new ATOM 0 HB3 LEU A 42 5.326 -5.804 6.140 1.00 0.00 H new ATOM 0 HG LEU A 42 4.273 -3.041 5.668 1.00 0.00 H new ATOM 0 HD11 LEU A 42 2.066 -3.712 6.533 1.00 0.00 H new ATOM 0 HD12 LEU A 42 2.423 -4.480 4.968 1.00 0.00 H new ATOM 0 HD13 LEU A 42 2.567 -5.419 6.473 1.00 0.00 H new ATOM 0 HD21 LEU A 42 3.890 -3.161 8.099 1.00 0.00 H new ATOM 0 HD22 LEU A 42 4.463 -4.846 8.101 1.00 0.00 H new ATOM 0 HD23 LEU A 42 5.580 -3.526 7.677 1.00 0.00 H new ATOM 663 N SER A 43 7.928 -6.289 4.677 1.00 0.00 N ATOM 664 CA SER A 43 8.672 -7.345 4.000 1.00 0.00 C ATOM 665 C SER A 43 7.754 -8.508 3.637 1.00 0.00 C ATOM 666 O SER A 43 6.543 -8.452 3.855 1.00 0.00 O ATOM 667 CB SER A 43 9.816 -7.841 4.886 1.00 0.00 C ATOM 668 OG SER A 43 10.639 -6.766 5.306 1.00 0.00 O ATOM 0 H SER A 43 8.124 -6.208 5.675 1.00 0.00 H new ATOM 0 HA SER A 43 9.087 -6.931 3.081 1.00 0.00 H new ATOM 0 HB2 SER A 43 9.409 -8.354 5.758 1.00 0.00 H new ATOM 0 HB3 SER A 43 10.415 -8.569 4.339 1.00 0.00 H new ATOM 0 HG SER A 43 11.362 -7.109 5.872 1.00 0.00 H new ATOM 674 N THR A 44 8.339 -9.564 3.080 1.00 0.00 N ATOM 675 CA THR A 44 7.576 -10.741 2.685 1.00 0.00 C ATOM 676 C THR A 44 6.815 -11.326 3.869 1.00 0.00 C ATOM 677 O THR A 44 5.589 -11.436 3.856 1.00 0.00 O ATOM 678 CB THR A 44 8.490 -11.829 2.089 1.00 0.00 C ATOM 679 OG1 THR A 44 8.578 -11.670 0.668 1.00 0.00 O ATOM 680 CG2 THR A 44 7.963 -13.218 2.417 1.00 0.00 C ATOM 0 H THR A 44 9.340 -9.628 2.892 1.00 0.00 H new ATOM 0 HA THR A 44 6.866 -10.416 1.925 1.00 0.00 H new ATOM 0 HB THR A 44 9.481 -11.721 2.529 1.00 0.00 H new ATOM 0 HG1 THR A 44 9.162 -12.364 0.297 1.00 0.00 H new ATOM 0 HG21 THR A 44 8.625 -13.969 1.986 1.00 0.00 H new ATOM 0 HG22 THR A 44 7.924 -13.346 3.499 1.00 0.00 H new ATOM 0 HG23 THR A 44 6.962 -13.335 2.002 1.00 0.00 H new ATOM 688 N PRO A 45 7.556 -11.711 4.919 1.00 0.00 N ATOM 689 CA PRO A 45 6.970 -12.290 6.131 1.00 0.00 C ATOM 690 C PRO A 45 6.180 -11.266 6.939 1.00 0.00 C ATOM 691 O PRO A 45 5.053 -11.529 7.359 1.00 0.00 O ATOM 692 CB PRO A 45 8.191 -12.768 6.921 1.00 0.00 C ATOM 693 CG PRO A 45 9.310 -11.904 6.449 1.00 0.00 C ATOM 694 CD PRO A 45 9.023 -11.609 5.003 1.00 0.00 C ATOM 0 HA PRO A 45 6.257 -13.082 5.901 1.00 0.00 H new ATOM 0 HB2 PRO A 45 8.034 -12.662 7.994 1.00 0.00 H new ATOM 0 HB3 PRO A 45 8.397 -13.821 6.732 1.00 0.00 H new ATOM 0 HG2 PRO A 45 9.365 -10.984 7.031 1.00 0.00 H new ATOM 0 HG3 PRO A 45 10.269 -12.411 6.561 1.00 0.00 H new ATOM 0 HD2 PRO A 45 9.374 -10.617 4.718 1.00 0.00 H new ATOM 0 HD3 PRO A 45 9.514 -12.323 4.342 1.00 0.00 H new ATOM 702 N ASP A 46 6.778 -10.099 7.153 1.00 0.00 N ATOM 703 CA ASP A 46 6.129 -9.035 7.910 1.00 0.00 C ATOM 704 C ASP A 46 4.698 -8.820 7.427 1.00 0.00 C ATOM 705 O ASP A 46 3.749 -8.913 8.206 1.00 0.00 O ATOM 706 CB ASP A 46 6.923 -7.734 7.785 1.00 0.00 C ATOM 707 CG ASP A 46 8.077 -7.663 8.767 1.00 0.00 C ATOM 708 OD1 ASP A 46 9.002 -8.494 8.654 1.00 0.00 O ATOM 709 OD2 ASP A 46 8.053 -6.779 9.648 1.00 0.00 O ATOM 0 H ASP A 46 7.711 -9.866 6.813 1.00 0.00 H new ATOM 0 HA ASP A 46 6.099 -9.334 8.958 1.00 0.00 H new ATOM 0 HB2 ASP A 46 7.308 -7.643 6.769 1.00 0.00 H new ATOM 0 HB3 ASP A 46 6.256 -6.888 7.950 1.00 0.00 H new ATOM 714 N ARG A 47 4.550 -8.532 6.139 1.00 0.00 N ATOM 715 CA ARG A 47 3.235 -8.301 5.553 1.00 0.00 C ATOM 716 C ARG A 47 2.269 -9.420 5.929 1.00 0.00 C ATOM 717 O ARG A 47 1.133 -9.164 6.330 1.00 0.00 O ATOM 718 CB ARG A 47 3.343 -8.196 4.030 1.00 0.00 C ATOM 719 CG ARG A 47 2.000 -8.055 3.333 1.00 0.00 C ATOM 720 CD ARG A 47 2.168 -7.873 1.833 1.00 0.00 C ATOM 721 NE ARG A 47 2.353 -9.148 1.144 1.00 0.00 N ATOM 722 CZ ARG A 47 2.432 -9.265 -0.176 1.00 0.00 C ATOM 723 NH1 ARG A 47 2.342 -8.190 -0.947 1.00 0.00 N ATOM 724 NH2 ARG A 47 2.602 -10.459 -0.729 1.00 0.00 N ATOM 0 H ARG A 47 5.325 -8.453 5.480 1.00 0.00 H new ATOM 0 HA ARG A 47 2.848 -7.362 5.948 1.00 0.00 H new ATOM 0 HB2 ARG A 47 3.966 -7.338 3.777 1.00 0.00 H new ATOM 0 HB3 ARG A 47 3.850 -9.082 3.648 1.00 0.00 H new ATOM 0 HG2 ARG A 47 1.393 -8.939 3.528 1.00 0.00 H new ATOM 0 HG3 ARG A 47 1.462 -7.202 3.746 1.00 0.00 H new ATOM 0 HD2 ARG A 47 1.292 -7.366 1.429 1.00 0.00 H new ATOM 0 HD3 ARG A 47 3.026 -7.229 1.640 1.00 0.00 H new ATOM 0 HE ARG A 47 2.425 -9.995 1.708 1.00 0.00 H new ATOM 0 HH11 ARG A 47 2.212 -7.270 -0.526 1.00 0.00 H new ATOM 0 HH12 ARG A 47 2.403 -8.283 -1.961 1.00 0.00 H new ATOM 0 HH21 ARG A 47 2.672 -11.289 -0.140 1.00 0.00 H new ATOM 0 HH22 ARG A 47 2.662 -10.547 -1.743 1.00 0.00 H new ATOM 738 N ILE A 48 2.727 -10.660 5.796 1.00 0.00 N ATOM 739 CA ILE A 48 1.903 -11.817 6.123 1.00 0.00 C ATOM 740 C ILE A 48 1.493 -11.803 7.591 1.00 0.00 C ATOM 741 O ILE A 48 0.307 -11.743 7.914 1.00 0.00 O ATOM 742 CB ILE A 48 2.639 -13.136 5.819 1.00 0.00 C ATOM 743 CG1 ILE A 48 3.040 -13.194 4.344 1.00 0.00 C ATOM 744 CG2 ILE A 48 1.765 -14.326 6.183 1.00 0.00 C ATOM 745 CD1 ILE A 48 4.085 -14.246 4.042 1.00 0.00 C ATOM 0 H ILE A 48 3.664 -10.889 5.464 1.00 0.00 H new ATOM 0 HA ILE A 48 1.011 -11.756 5.499 1.00 0.00 H new ATOM 0 HB ILE A 48 3.545 -13.177 6.424 1.00 0.00 H new ATOM 0 HG12 ILE A 48 2.153 -13.392 3.742 1.00 0.00 H new ATOM 0 HG13 ILE A 48 3.420 -12.218 4.041 1.00 0.00 H new ATOM 0 HG21 ILE A 48 2.299 -15.250 5.962 1.00 0.00 H new ATOM 0 HG22 ILE A 48 1.525 -14.290 7.246 1.00 0.00 H new ATOM 0 HG23 ILE A 48 0.843 -14.292 5.602 1.00 0.00 H new ATOM 0 HD11 ILE A 48 4.321 -14.230 2.978 1.00 0.00 H new ATOM 0 HD12 ILE A 48 4.988 -14.038 4.617 1.00 0.00 H new ATOM 0 HD13 ILE A 48 3.701 -15.229 4.314 1.00 0.00 H new ATOM 757 N ASP A 49 2.482 -11.858 8.476 1.00 0.00 N ATOM 758 CA ASP A 49 2.225 -11.849 9.912 1.00 0.00 C ATOM 759 C ASP A 49 1.075 -10.906 10.252 1.00 0.00 C ATOM 760 O ASP A 49 0.154 -11.271 10.984 1.00 0.00 O ATOM 761 CB ASP A 49 3.484 -11.434 10.674 1.00 0.00 C ATOM 762 CG ASP A 49 3.534 -12.019 12.072 1.00 0.00 C ATOM 763 OD1 ASP A 49 3.514 -13.262 12.195 1.00 0.00 O ATOM 764 OD2 ASP A 49 3.592 -11.235 13.042 1.00 0.00 O ATOM 0 H ASP A 49 3.469 -11.909 8.225 1.00 0.00 H new ATOM 0 HA ASP A 49 1.944 -12.858 10.213 1.00 0.00 H new ATOM 0 HB2 ASP A 49 4.364 -11.755 10.117 1.00 0.00 H new ATOM 0 HB3 ASP A 49 3.525 -10.347 10.737 1.00 0.00 H new ATOM 769 N LEU A 50 1.135 -9.692 9.717 1.00 0.00 N ATOM 770 CA LEU A 50 0.098 -8.695 9.964 1.00 0.00 C ATOM 771 C LEU A 50 -1.255 -9.178 9.453 1.00 0.00 C ATOM 772 O LEU A 50 -2.179 -9.406 10.234 1.00 0.00 O ATOM 773 CB LEU A 50 0.466 -7.371 9.292 1.00 0.00 C ATOM 774 CG LEU A 50 -0.690 -6.403 9.038 1.00 0.00 C ATOM 775 CD1 LEU A 50 -1.057 -5.662 10.314 1.00 0.00 C ATOM 776 CD2 LEU A 50 -0.330 -5.420 7.933 1.00 0.00 C ATOM 0 H LEU A 50 1.890 -9.374 9.110 1.00 0.00 H new ATOM 0 HA LEU A 50 0.025 -8.542 11.041 1.00 0.00 H new ATOM 0 HB2 LEU A 50 1.207 -6.866 9.912 1.00 0.00 H new ATOM 0 HB3 LEU A 50 0.945 -7.592 8.338 1.00 0.00 H new ATOM 0 HG LEU A 50 -1.557 -6.980 8.716 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -1.881 -4.978 10.113 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -1.358 -6.379 11.077 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -0.195 -5.097 10.667 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -1.164 -4.739 7.766 1.00 0.00 H new ATOM 0 HD22 LEU A 50 0.551 -4.849 8.227 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -0.118 -5.967 7.014 1.00 0.00 H new ATOM 788 N ALA A 51 -1.364 -9.335 8.138 1.00 0.00 N ATOM 789 CA ALA A 51 -2.603 -9.796 7.523 1.00 0.00 C ATOM 790 C ALA A 51 -3.297 -10.834 8.399 1.00 0.00 C ATOM 791 O ALA A 51 -4.525 -10.884 8.461 1.00 0.00 O ATOM 792 CB ALA A 51 -2.326 -10.368 6.141 1.00 0.00 C ATOM 0 H ALA A 51 -0.609 -9.150 7.478 1.00 0.00 H new ATOM 0 HA ALA A 51 -3.270 -8.940 7.422 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -3.260 -10.708 5.694 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -1.882 -9.598 5.511 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -1.637 -11.209 6.226 1.00 0.00 H new ATOM 798 N GLU A 52 -2.502 -11.660 9.072 1.00 0.00 N ATOM 799 CA GLU A 52 -3.042 -12.697 9.943 1.00 0.00 C ATOM 800 C GLU A 52 -3.517 -12.105 11.266 1.00 0.00 C ATOM 801 O GLU A 52 -4.583 -12.459 11.771 1.00 0.00 O ATOM 802 CB GLU A 52 -1.988 -13.775 10.203 1.00 0.00 C ATOM 803 CG GLU A 52 -2.012 -14.907 9.189 1.00 0.00 C ATOM 804 CD GLU A 52 -3.230 -15.798 9.338 1.00 0.00 C ATOM 805 OE1 GLU A 52 -3.208 -16.692 10.209 1.00 0.00 O ATOM 806 OE2 GLU A 52 -4.205 -15.601 8.583 1.00 0.00 O ATOM 0 H GLU A 52 -1.483 -11.631 9.031 1.00 0.00 H new ATOM 0 HA GLU A 52 -3.897 -13.148 9.440 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -1.000 -13.314 10.197 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -2.141 -14.188 11.200 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -1.993 -14.489 8.183 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -1.110 -15.509 9.301 1.00 0.00 H new ATOM 813 N SER A 53 -2.718 -11.201 11.824 1.00 0.00 N ATOM 814 CA SER A 53 -3.053 -10.562 13.091 1.00 0.00 C ATOM 815 C SER A 53 -4.380 -9.817 12.989 1.00 0.00 C ATOM 816 O SER A 53 -5.226 -9.906 13.880 1.00 0.00 O ATOM 817 CB SER A 53 -1.943 -9.595 13.508 1.00 0.00 C ATOM 818 OG SER A 53 -2.253 -8.962 14.737 1.00 0.00 O ATOM 0 H SER A 53 -1.834 -10.895 11.418 1.00 0.00 H new ATOM 0 HA SER A 53 -3.150 -11.340 13.848 1.00 0.00 H new ATOM 0 HB2 SER A 53 -1.001 -10.136 13.601 1.00 0.00 H new ATOM 0 HB3 SER A 53 -1.802 -8.842 12.733 1.00 0.00 H new ATOM 0 HG SER A 53 -1.528 -8.350 14.982 1.00 0.00 H new ATOM 824 N LEU A 54 -4.555 -9.080 11.897 1.00 0.00 N ATOM 825 CA LEU A 54 -5.780 -8.318 11.677 1.00 0.00 C ATOM 826 C LEU A 54 -6.836 -9.173 10.983 1.00 0.00 C ATOM 827 O LEU A 54 -8.034 -8.931 11.122 1.00 0.00 O ATOM 828 CB LEU A 54 -5.484 -7.073 10.839 1.00 0.00 C ATOM 829 CG LEU A 54 -4.562 -6.035 11.481 1.00 0.00 C ATOM 830 CD1 LEU A 54 -4.236 -4.927 10.492 1.00 0.00 C ATOM 831 CD2 LEU A 54 -5.199 -5.461 12.738 1.00 0.00 C ATOM 0 H LEU A 54 -3.865 -8.994 11.151 1.00 0.00 H new ATOM 0 HA LEU A 54 -6.169 -8.012 12.648 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -5.039 -7.391 9.896 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -6.430 -6.589 10.597 1.00 0.00 H new ATOM 0 HG LEU A 54 -3.631 -6.528 11.762 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -3.579 -4.198 10.966 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -3.737 -5.352 9.621 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -5.157 -4.436 10.179 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -4.529 -4.724 13.181 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -6.145 -4.984 12.481 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -5.380 -6.263 13.453 1.00 0.00 H new ATOM 843 N GLY A 55 -6.382 -10.176 10.238 1.00 0.00 N ATOM 844 CA GLY A 55 -7.301 -11.053 9.535 1.00 0.00 C ATOM 845 C GLY A 55 -7.323 -10.793 8.042 1.00 0.00 C ATOM 846 O GLY A 55 -7.976 -11.516 7.288 1.00 0.00 O ATOM 0 H GLY A 55 -5.395 -10.397 10.109 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -7.019 -12.090 9.716 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -8.305 -10.921 9.939 1.00 0.00 H new ATOM 850 N LEU A 56 -6.611 -9.756 7.613 1.00 0.00 N ATOM 851 CA LEU A 56 -6.553 -9.401 6.199 1.00 0.00 C ATOM 852 C LEU A 56 -5.610 -10.331 5.442 1.00 0.00 C ATOM 853 O LEU A 56 -4.942 -11.174 6.040 1.00 0.00 O ATOM 854 CB LEU A 56 -6.097 -7.950 6.036 1.00 0.00 C ATOM 855 CG LEU A 56 -6.879 -6.907 6.836 1.00 0.00 C ATOM 856 CD1 LEU A 56 -6.140 -5.578 6.844 1.00 0.00 C ATOM 857 CD2 LEU A 56 -8.279 -6.737 6.266 1.00 0.00 C ATOM 0 H LEU A 56 -6.066 -9.147 8.224 1.00 0.00 H new ATOM 0 HA LEU A 56 -7.554 -9.510 5.781 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -5.047 -7.886 6.322 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -6.156 -7.688 4.980 1.00 0.00 H new ATOM 0 HG LEU A 56 -6.968 -7.257 7.864 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -6.711 -4.848 7.418 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -5.159 -5.710 7.299 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -6.020 -5.222 5.821 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -8.821 -5.991 6.848 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -8.212 -6.410 5.229 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -8.809 -7.688 6.313 1.00 0.00 H new ATOM 869 N SER A 57 -5.560 -10.168 4.124 1.00 0.00 N ATOM 870 CA SER A 57 -4.700 -10.994 3.285 1.00 0.00 C ATOM 871 C SER A 57 -3.505 -10.193 2.776 1.00 0.00 C ATOM 872 O SER A 57 -3.558 -8.966 2.694 1.00 0.00 O ATOM 873 CB SER A 57 -5.492 -11.556 2.103 1.00 0.00 C ATOM 874 OG SER A 57 -4.704 -12.456 1.342 1.00 0.00 O ATOM 0 H SER A 57 -6.104 -9.472 3.614 1.00 0.00 H new ATOM 0 HA SER A 57 -4.329 -11.821 3.891 1.00 0.00 H new ATOM 0 HB2 SER A 57 -6.383 -12.067 2.468 1.00 0.00 H new ATOM 0 HB3 SER A 57 -5.832 -10.738 1.467 1.00 0.00 H new ATOM 0 HG SER A 57 -5.234 -12.802 0.594 1.00 0.00 H new ATOM 880 N GLN A 58 -2.430 -10.896 2.437 1.00 0.00 N ATOM 881 CA GLN A 58 -1.222 -10.250 1.937 1.00 0.00 C ATOM 882 C GLN A 58 -1.558 -9.234 0.850 1.00 0.00 C ATOM 883 O GLN A 58 -0.857 -8.235 0.682 1.00 0.00 O ATOM 884 CB GLN A 58 -0.248 -11.296 1.391 1.00 0.00 C ATOM 885 CG GLN A 58 0.137 -12.358 2.408 1.00 0.00 C ATOM 886 CD GLN A 58 0.519 -13.674 1.760 1.00 0.00 C ATOM 887 OE1 GLN A 58 -0.267 -14.622 1.743 1.00 0.00 O ATOM 888 NE2 GLN A 58 1.732 -13.741 1.223 1.00 0.00 N ATOM 0 H GLN A 58 -2.370 -11.912 2.499 1.00 0.00 H new ATOM 0 HA GLN A 58 -0.751 -9.724 2.767 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -0.697 -11.781 0.524 1.00 0.00 H new ATOM 0 HB3 GLN A 58 0.655 -10.793 1.043 1.00 0.00 H new ATOM 0 HG2 GLN A 58 0.973 -11.996 3.007 1.00 0.00 H new ATOM 0 HG3 GLN A 58 -0.697 -12.522 3.090 1.00 0.00 H new ATOM 0 HE21 GLN A 58 2.351 -12.931 1.259 1.00 0.00 H new ATOM 0 HE22 GLN A 58 2.044 -14.602 0.774 1.00 0.00 H new ATOM 897 N LEU A 59 -2.632 -9.496 0.114 1.00 0.00 N ATOM 898 CA LEU A 59 -3.061 -8.604 -0.958 1.00 0.00 C ATOM 899 C LEU A 59 -3.461 -7.240 -0.404 1.00 0.00 C ATOM 900 O LEU A 59 -2.860 -6.222 -0.744 1.00 0.00 O ATOM 901 CB LEU A 59 -4.233 -9.221 -1.723 1.00 0.00 C ATOM 902 CG LEU A 59 -4.790 -8.392 -2.880 1.00 0.00 C ATOM 903 CD1 LEU A 59 -3.715 -8.146 -3.927 1.00 0.00 C ATOM 904 CD2 LEU A 59 -5.994 -9.085 -3.502 1.00 0.00 C ATOM 0 H LEU A 59 -3.222 -10.319 0.240 1.00 0.00 H new ATOM 0 HA LEU A 59 -2.222 -8.466 -1.641 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -3.917 -10.188 -2.114 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -5.041 -9.412 -1.017 1.00 0.00 H new ATOM 0 HG LEU A 59 -5.113 -7.428 -2.488 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -4.130 -7.554 -4.743 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -2.883 -7.607 -3.474 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -3.360 -9.101 -4.315 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -6.377 -8.480 -4.324 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -5.696 -10.063 -3.879 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -6.772 -9.208 -2.749 1.00 0.00 H new ATOM 916 N GLN A 60 -4.479 -7.230 0.451 1.00 0.00 N ATOM 917 CA GLN A 60 -4.958 -5.991 1.053 1.00 0.00 C ATOM 918 C GLN A 60 -3.803 -5.028 1.307 1.00 0.00 C ATOM 919 O GLN A 60 -3.785 -3.913 0.784 1.00 0.00 O ATOM 920 CB GLN A 60 -5.690 -6.286 2.363 1.00 0.00 C ATOM 921 CG GLN A 60 -6.927 -7.151 2.187 1.00 0.00 C ATOM 922 CD GLN A 60 -7.988 -6.487 1.332 1.00 0.00 C ATOM 923 OE1 GLN A 60 -7.919 -6.516 0.103 1.00 0.00 O ATOM 924 NE2 GLN A 60 -8.977 -5.882 1.980 1.00 0.00 N ATOM 0 H GLN A 60 -4.987 -8.065 0.742 1.00 0.00 H new ATOM 0 HA GLN A 60 -5.652 -5.521 0.356 1.00 0.00 H new ATOM 0 HB2 GLN A 60 -5.004 -6.783 3.049 1.00 0.00 H new ATOM 0 HB3 GLN A 60 -5.979 -5.344 2.828 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -6.641 -8.099 1.732 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -7.347 -7.381 3.166 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -8.994 -5.883 3.000 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -9.719 -5.417 1.458 1.00 0.00 H new ATOM 933 N VAL A 61 -2.841 -5.464 2.113 1.00 0.00 N ATOM 934 CA VAL A 61 -1.682 -4.641 2.436 1.00 0.00 C ATOM 935 C VAL A 61 -1.012 -4.115 1.172 1.00 0.00 C ATOM 936 O VAL A 61 -0.842 -2.907 1.003 1.00 0.00 O ATOM 937 CB VAL A 61 -0.648 -5.427 3.263 1.00 0.00 C ATOM 938 CG1 VAL A 61 0.521 -4.532 3.648 1.00 0.00 C ATOM 939 CG2 VAL A 61 -1.300 -6.028 4.500 1.00 0.00 C ATOM 0 H VAL A 61 -2.841 -6.383 2.555 1.00 0.00 H new ATOM 0 HA VAL A 61 -2.046 -3.801 3.027 1.00 0.00 H new ATOM 0 HB VAL A 61 -0.264 -6.242 2.650 1.00 0.00 H new ATOM 0 HG11 VAL A 61 1.241 -5.105 4.232 1.00 0.00 H new ATOM 0 HG12 VAL A 61 1.003 -4.155 2.746 1.00 0.00 H new ATOM 0 HG13 VAL A 61 0.157 -3.694 4.242 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -0.554 -6.580 5.072 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -1.714 -5.230 5.117 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -2.099 -6.705 4.198 1.00 0.00 H new ATOM 949 N LYS A 62 -0.633 -5.029 0.285 1.00 0.00 N ATOM 950 CA LYS A 62 0.017 -4.659 -0.966 1.00 0.00 C ATOM 951 C LYS A 62 -0.723 -3.510 -1.644 1.00 0.00 C ATOM 952 O LYS A 62 -0.185 -2.412 -1.792 1.00 0.00 O ATOM 953 CB LYS A 62 0.082 -5.864 -1.907 1.00 0.00 C ATOM 954 CG LYS A 62 1.119 -5.721 -3.008 1.00 0.00 C ATOM 955 CD LYS A 62 0.722 -6.498 -4.252 1.00 0.00 C ATOM 956 CE LYS A 62 1.257 -7.922 -4.213 1.00 0.00 C ATOM 957 NZ LYS A 62 0.432 -8.800 -3.338 1.00 0.00 N ATOM 0 H LYS A 62 -0.765 -6.033 0.410 1.00 0.00 H new ATOM 0 HA LYS A 62 1.031 -4.330 -0.737 1.00 0.00 H new ATOM 0 HB2 LYS A 62 0.304 -6.758 -1.324 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -0.898 -6.014 -2.360 1.00 0.00 H new ATOM 0 HG2 LYS A 62 1.241 -4.667 -3.259 1.00 0.00 H new ATOM 0 HG3 LYS A 62 2.084 -6.077 -2.648 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -0.364 -6.518 -4.339 1.00 0.00 H new ATOM 0 HD3 LYS A 62 1.103 -5.989 -5.137 1.00 0.00 H new ATOM 0 HE2 LYS A 62 1.276 -8.331 -5.223 1.00 0.00 H new ATOM 0 HE3 LYS A 62 2.286 -7.914 -3.853 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 0.858 -9.748 -3.297 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 0.392 -8.397 -2.380 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -0.531 -8.869 -3.725 1.00 0.00 H new ATOM 971 N THR A 63 -1.960 -3.770 -2.055 1.00 0.00 N ATOM 972 CA THR A 63 -2.773 -2.758 -2.718 1.00 0.00 C ATOM 973 C THR A 63 -2.996 -1.552 -1.812 1.00 0.00 C ATOM 974 O THR A 63 -2.546 -0.447 -2.113 1.00 0.00 O ATOM 975 CB THR A 63 -4.141 -3.326 -3.143 1.00 0.00 C ATOM 976 OG1 THR A 63 -3.957 -4.517 -3.916 1.00 0.00 O ATOM 977 CG2 THR A 63 -4.923 -2.304 -3.954 1.00 0.00 C ATOM 0 H THR A 63 -2.421 -4.673 -1.940 1.00 0.00 H new ATOM 0 HA THR A 63 -2.225 -2.445 -3.607 1.00 0.00 H new ATOM 0 HB THR A 63 -4.708 -3.562 -2.242 1.00 0.00 H new ATOM 0 HG1 THR A 63 -4.831 -4.873 -4.181 1.00 0.00 H new ATOM 0 HG21 THR A 63 -5.885 -2.728 -4.243 1.00 0.00 H new ATOM 0 HG22 THR A 63 -5.086 -1.410 -3.352 1.00 0.00 H new ATOM 0 HG23 THR A 63 -4.359 -2.041 -4.849 1.00 0.00 H new ATOM 985 N TRP A 64 -3.692 -1.772 -0.703 1.00 0.00 N ATOM 986 CA TRP A 64 -3.973 -0.702 0.248 1.00 0.00 C ATOM 987 C TRP A 64 -2.778 0.234 0.383 1.00 0.00 C ATOM 988 O TRP A 64 -2.931 1.456 0.381 1.00 0.00 O ATOM 989 CB TRP A 64 -4.335 -1.288 1.614 1.00 0.00 C ATOM 990 CG TRP A 64 -4.954 -0.288 2.543 1.00 0.00 C ATOM 991 CD1 TRP A 64 -6.252 0.135 2.546 1.00 0.00 C ATOM 992 CD2 TRP A 64 -4.299 0.415 3.605 1.00 0.00 C ATOM 993 NE1 TRP A 64 -6.444 1.058 3.545 1.00 0.00 N ATOM 994 CE2 TRP A 64 -5.261 1.247 4.209 1.00 0.00 C ATOM 995 CE3 TRP A 64 -2.993 0.422 4.104 1.00 0.00 C ATOM 996 CZ2 TRP A 64 -4.957 2.076 5.286 1.00 0.00 C ATOM 997 CZ3 TRP A 64 -2.693 1.245 5.172 1.00 0.00 C ATOM 998 CH2 TRP A 64 -3.671 2.063 5.754 1.00 0.00 C ATOM 0 H TRP A 64 -4.072 -2.681 -0.440 1.00 0.00 H new ATOM 0 HA TRP A 64 -4.819 -0.128 -0.129 1.00 0.00 H new ATOM 0 HB2 TRP A 64 -5.026 -2.119 1.473 1.00 0.00 H new ATOM 0 HB3 TRP A 64 -3.436 -1.695 2.077 1.00 0.00 H new ATOM 0 HD1 TRP A 64 -7.016 -0.206 1.863 1.00 0.00 H new ATOM 0 HE1 TRP A 64 -7.325 1.527 3.758 1.00 0.00 H new ATOM 0 HE3 TRP A 64 -2.232 -0.205 3.662 1.00 0.00 H new ATOM 0 HZ2 TRP A 64 -5.709 2.707 5.736 1.00 0.00 H new ATOM 0 HZ3 TRP A 64 -1.687 1.258 5.565 1.00 0.00 H new ATOM 0 HH2 TRP A 64 -3.405 2.695 6.588 1.00 0.00 H new ATOM 1009 N TYR A 65 -1.588 -0.345 0.500 1.00 0.00 N ATOM 1010 CA TYR A 65 -0.366 0.439 0.638 1.00 0.00 C ATOM 1011 C TYR A 65 -0.132 1.304 -0.596 1.00 0.00 C ATOM 1012 O TYR A 65 -0.110 2.532 -0.511 1.00 0.00 O ATOM 1013 CB TYR A 65 0.833 -0.483 0.864 1.00 0.00 C ATOM 1014 CG TYR A 65 1.107 -0.775 2.322 1.00 0.00 C ATOM 1015 CD1 TYR A 65 0.098 -1.233 3.161 1.00 0.00 C ATOM 1016 CD2 TYR A 65 2.375 -0.594 2.861 1.00 0.00 C ATOM 1017 CE1 TYR A 65 0.344 -1.500 4.493 1.00 0.00 C ATOM 1018 CE2 TYR A 65 2.630 -0.860 4.192 1.00 0.00 C ATOM 1019 CZ TYR A 65 1.611 -1.312 5.004 1.00 0.00 C ATOM 1020 OH TYR A 65 1.860 -1.578 6.331 1.00 0.00 O ATOM 0 H TYR A 65 -1.444 -1.355 0.502 1.00 0.00 H new ATOM 0 HA TYR A 65 -0.480 1.094 1.502 1.00 0.00 H new ATOM 0 HB2 TYR A 65 0.661 -1.423 0.340 1.00 0.00 H new ATOM 0 HB3 TYR A 65 1.719 -0.028 0.421 1.00 0.00 H new ATOM 0 HD1 TYR A 65 -0.895 -1.383 2.764 1.00 0.00 H new ATOM 0 HD2 TYR A 65 3.175 -0.239 2.228 1.00 0.00 H new ATOM 0 HE1 TYR A 65 -0.452 -1.854 5.132 1.00 0.00 H new ATOM 0 HE2 TYR A 65 3.622 -0.715 4.595 1.00 0.00 H new ATOM 0 HH TYR A 65 2.827 -1.629 6.478 1.00 0.00 H new ATOM 1030 N GLN A 66 0.042 0.654 -1.742 1.00 0.00 N ATOM 1031 CA GLN A 66 0.275 1.364 -2.994 1.00 0.00 C ATOM 1032 C GLN A 66 -0.678 2.547 -3.135 1.00 0.00 C ATOM 1033 O GLN A 66 -0.250 3.675 -3.378 1.00 0.00 O ATOM 1034 CB GLN A 66 0.106 0.415 -4.182 1.00 0.00 C ATOM 1035 CG GLN A 66 0.386 1.067 -5.527 1.00 0.00 C ATOM 1036 CD GLN A 66 -0.367 0.405 -6.664 1.00 0.00 C ATOM 1037 OE1 GLN A 66 -1.134 -0.535 -6.452 1.00 0.00 O ATOM 1038 NE2 GLN A 66 -0.151 0.892 -7.880 1.00 0.00 N ATOM 0 H GLN A 66 0.026 -0.362 -1.829 1.00 0.00 H new ATOM 0 HA GLN A 66 1.297 1.743 -2.982 1.00 0.00 H new ATOM 0 HB2 GLN A 66 0.775 -0.436 -4.054 1.00 0.00 H new ATOM 0 HB3 GLN A 66 -0.911 0.024 -4.182 1.00 0.00 H new ATOM 0 HG2 GLN A 66 0.112 2.121 -5.480 1.00 0.00 H new ATOM 0 HG3 GLN A 66 1.456 1.025 -5.731 1.00 0.00 H new ATOM 0 HE21 GLN A 66 0.493 1.672 -8.010 1.00 0.00 H new ATOM 0 HE22 GLN A 66 -0.629 0.486 -8.684 1.00 0.00 H new ATOM 1047 N ASN A 67 -1.971 2.281 -2.981 1.00 0.00 N ATOM 1048 CA ASN A 67 -2.984 3.324 -3.092 1.00 0.00 C ATOM 1049 C ASN A 67 -2.729 4.439 -2.082 1.00 0.00 C ATOM 1050 O ASN A 67 -2.681 5.616 -2.441 1.00 0.00 O ATOM 1051 CB ASN A 67 -4.379 2.734 -2.876 1.00 0.00 C ATOM 1052 CG ASN A 67 -4.957 2.137 -4.144 1.00 0.00 C ATOM 1053 OD1 ASN A 67 -4.298 2.101 -5.183 1.00 0.00 O ATOM 1054 ND2 ASN A 67 -6.195 1.663 -4.064 1.00 0.00 N ATOM 0 H ASN A 67 -2.342 1.352 -2.779 1.00 0.00 H new ATOM 0 HA ASN A 67 -2.927 3.746 -4.095 1.00 0.00 H new ATOM 0 HB2 ASN A 67 -4.330 1.965 -2.105 1.00 0.00 H new ATOM 0 HB3 ASN A 67 -5.047 3.513 -2.507 1.00 0.00 H new ATOM 0 HD21 ASN A 67 -6.636 1.248 -4.885 1.00 0.00 H new ATOM 0 HD22 ASN A 67 -6.704 1.714 -3.182 1.00 0.00 H new ATOM 1061 N ARG A 68 -2.567 4.060 -0.819 1.00 0.00 N ATOM 1062 CA ARG A 68 -2.318 5.028 0.243 1.00 0.00 C ATOM 1063 C ARG A 68 -1.205 5.995 -0.152 1.00 0.00 C ATOM 1064 O ARG A 68 -1.354 7.211 -0.030 1.00 0.00 O ATOM 1065 CB ARG A 68 -1.945 4.308 1.541 1.00 0.00 C ATOM 1066 CG ARG A 68 -3.146 3.796 2.319 1.00 0.00 C ATOM 1067 CD ARG A 68 -3.934 4.937 2.943 1.00 0.00 C ATOM 1068 NE ARG A 68 -5.340 4.593 3.132 1.00 0.00 N ATOM 1069 CZ ARG A 68 -6.298 5.493 3.324 1.00 0.00 C ATOM 1070 NH1 ARG A 68 -6.002 6.785 3.352 1.00 0.00 N ATOM 1071 NH2 ARG A 68 -7.555 5.101 3.487 1.00 0.00 N ATOM 0 H ARG A 68 -2.604 3.090 -0.506 1.00 0.00 H new ATOM 0 HA ARG A 68 -3.233 5.599 0.401 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -1.290 3.469 1.306 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -1.376 4.989 2.174 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -3.795 3.225 1.655 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -2.811 3.114 3.100 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -3.493 5.199 3.905 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -3.859 5.819 2.307 1.00 0.00 H new ATOM 0 HE ARG A 68 -5.601 3.607 3.116 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -5.037 7.090 3.226 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -6.739 7.474 3.500 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -7.786 4.108 3.465 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -8.290 5.793 3.634 1.00 0.00 H new