USER MOD reduce.3.24.130724 H: found=0, std=0, add=385, rem=0, adj=10 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= 0.0773 K(o=0.077,f=-6.1!) USER MOD Single : A 30 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 34 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.00224) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 GLN : amide:sc= 0 K(o=0,f=-0.74) USER MOD Single : A 40 LYS NZ :NH3+ -125:sc= -0.0339 (180deg=-0.291) USER MOD Single : A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 SER OG : rot 180:sc= -0.0787 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= -1.11 K(o=-1.1,f=-0.41) USER MOD Single : A 60 GLN : amide:sc= -1.5 K(o=-1.5,f=-5.3!) 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= -1.59! USER MOD Single : A 66 GLN : amide:sc= 0 X(o=0,f=-0.0042) USER MOD Single : A 67 ASN : amide:sc= -0.428 X(o=-0.43,f=-0.035) USER MOD ----------------------------------------------------------------- ATOM 319 N PHE A 24 -12.798 -2.015 5.161 1.00 0.00 N ATOM 320 CA PHE A 24 -11.990 -2.171 6.365 1.00 0.00 C ATOM 321 C PHE A 24 -12.637 -1.460 7.550 1.00 0.00 C ATOM 322 O PHE A 24 -13.035 -0.299 7.452 1.00 0.00 O ATOM 323 CB PHE A 24 -10.581 -1.622 6.134 1.00 0.00 C ATOM 324 CG PHE A 24 -9.835 -2.327 5.037 1.00 0.00 C ATOM 325 CD1 PHE A 24 -9.817 -3.711 4.971 1.00 0.00 C ATOM 326 CD2 PHE A 24 -9.153 -1.605 4.070 1.00 0.00 C ATOM 327 CE1 PHE A 24 -9.131 -4.361 3.963 1.00 0.00 C ATOM 328 CE2 PHE A 24 -8.466 -2.250 3.059 1.00 0.00 C ATOM 329 CZ PHE A 24 -8.456 -3.630 3.005 1.00 0.00 C ATOM 0 HA PHE A 24 -11.925 -3.235 6.593 1.00 0.00 H new ATOM 0 HB2 PHE A 24 -10.648 -0.561 5.893 1.00 0.00 H new ATOM 0 HB3 PHE A 24 -10.012 -1.703 7.060 1.00 0.00 H new ATOM 0 HD1 PHE A 24 -10.345 -4.288 5.716 1.00 0.00 H new ATOM 0 HD2 PHE A 24 -9.159 -0.526 4.107 1.00 0.00 H new ATOM 0 HE1 PHE A 24 -9.123 -5.440 3.924 1.00 0.00 H new ATOM 0 HE2 PHE A 24 -7.938 -1.676 2.312 1.00 0.00 H new ATOM 0 HZ PHE A 24 -7.921 -4.137 2.215 1.00 0.00 H new ATOM 339 N THR A 25 -12.739 -2.166 8.672 1.00 0.00 N ATOM 340 CA THR A 25 -13.339 -1.605 9.876 1.00 0.00 C ATOM 341 C THR A 25 -12.324 -0.784 10.664 1.00 0.00 C ATOM 342 O THR A 25 -11.119 -1.008 10.563 1.00 0.00 O ATOM 343 CB THR A 25 -13.908 -2.710 10.787 1.00 0.00 C ATOM 344 OG1 THR A 25 -12.850 -3.324 11.532 1.00 0.00 O ATOM 345 CG2 THR A 25 -14.637 -3.764 9.969 1.00 0.00 C ATOM 0 H THR A 25 -12.414 -3.128 8.772 1.00 0.00 H new ATOM 0 HA THR A 25 -14.153 -0.957 9.552 1.00 0.00 H new ATOM 0 HB THR A 25 -14.618 -2.252 11.475 1.00 0.00 H new ATOM 0 HG1 THR A 25 -13.220 -4.024 12.110 1.00 0.00 H new ATOM 0 HG21 THR A 25 -15.030 -4.533 10.634 1.00 0.00 H new ATOM 0 HG22 THR A 25 -15.460 -3.299 9.427 1.00 0.00 H new ATOM 0 HG23 THR A 25 -13.945 -4.217 9.259 1.00 0.00 H new ATOM 353 N GLU A 26 -12.821 0.166 11.450 1.00 0.00 N ATOM 354 CA GLU A 26 -11.956 1.020 12.255 1.00 0.00 C ATOM 355 C GLU A 26 -10.770 0.232 12.803 1.00 0.00 C ATOM 356 O GLU A 26 -9.622 0.667 12.705 1.00 0.00 O ATOM 357 CB GLU A 26 -12.747 1.641 13.409 1.00 0.00 C ATOM 358 CG GLU A 26 -13.624 2.807 12.988 1.00 0.00 C ATOM 359 CD GLU A 26 -14.282 3.498 14.167 1.00 0.00 C ATOM 360 OE1 GLU A 26 -13.565 4.174 14.933 1.00 0.00 O ATOM 361 OE2 GLU A 26 -15.514 3.362 14.323 1.00 0.00 O ATOM 0 H GLU A 26 -13.817 0.363 11.546 1.00 0.00 H new ATOM 0 HA GLU A 26 -11.576 1.816 11.614 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -13.372 0.873 13.864 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -12.050 1.980 14.175 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -13.021 3.530 12.438 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -14.395 2.449 12.305 1.00 0.00 H new ATOM 368 N LEU A 27 -11.056 -0.931 13.379 1.00 0.00 N ATOM 369 CA LEU A 27 -10.013 -1.781 13.943 1.00 0.00 C ATOM 370 C LEU A 27 -8.963 -2.126 12.892 1.00 0.00 C ATOM 371 O LEU A 27 -7.780 -1.833 13.064 1.00 0.00 O ATOM 372 CB LEU A 27 -10.625 -3.064 14.509 1.00 0.00 C ATOM 373 CG LEU A 27 -9.750 -3.851 15.485 1.00 0.00 C ATOM 374 CD1 LEU A 27 -9.866 -3.276 16.889 1.00 0.00 C ATOM 375 CD2 LEU A 27 -10.134 -5.324 15.477 1.00 0.00 C ATOM 0 H LEU A 27 -12.000 -1.306 13.468 1.00 0.00 H new ATOM 0 HA LEU A 27 -9.526 -1.231 14.748 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -11.556 -2.807 15.013 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -10.884 -3.718 13.676 1.00 0.00 H new ATOM 0 HG LEU A 27 -8.712 -3.765 15.163 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -9.236 -3.849 17.570 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -9.542 -2.235 16.884 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -10.903 -3.331 17.220 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -9.501 -5.869 16.177 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -11.178 -5.430 15.773 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -9.999 -5.730 14.474 1.00 0.00 H new ATOM 387 N GLN A 28 -9.405 -2.747 11.803 1.00 0.00 N ATOM 388 CA GLN A 28 -8.503 -3.130 10.723 1.00 0.00 C ATOM 389 C GLN A 28 -7.723 -1.923 10.212 1.00 0.00 C ATOM 390 O GLN A 28 -6.496 -1.960 10.112 1.00 0.00 O ATOM 391 CB GLN A 28 -9.288 -3.768 9.576 1.00 0.00 C ATOM 392 CG GLN A 28 -10.060 -5.012 9.985 1.00 0.00 C ATOM 393 CD GLN A 28 -10.859 -5.605 8.842 1.00 0.00 C ATOM 394 OE1 GLN A 28 -11.686 -4.929 8.230 1.00 0.00 O ATOM 395 NE2 GLN A 28 -10.616 -6.877 8.547 1.00 0.00 N ATOM 0 H GLN A 28 -10.382 -2.995 11.645 1.00 0.00 H new ATOM 0 HA GLN A 28 -7.794 -3.858 11.117 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -9.985 -3.034 9.172 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -8.597 -4.027 8.774 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -9.363 -5.760 10.362 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -10.735 -4.763 10.804 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -9.922 -7.401 9.080 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -11.124 -7.330 7.787 1.00 0.00 H new ATOM 404 N LEU A 29 -8.443 -0.854 9.889 1.00 0.00 N ATOM 405 CA LEU A 29 -7.818 0.365 9.387 1.00 0.00 C ATOM 406 C LEU A 29 -6.791 0.899 10.380 1.00 0.00 C ATOM 407 O LEU A 29 -5.723 1.371 9.990 1.00 0.00 O ATOM 408 CB LEU A 29 -8.881 1.431 9.114 1.00 0.00 C ATOM 409 CG LEU A 29 -9.609 1.324 7.773 1.00 0.00 C ATOM 410 CD1 LEU A 29 -10.772 2.303 7.718 1.00 0.00 C ATOM 411 CD2 LEU A 29 -8.645 1.573 6.622 1.00 0.00 C ATOM 0 H LEU A 29 -9.459 -0.807 9.966 1.00 0.00 H new ATOM 0 HA LEU A 29 -7.305 0.124 8.456 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -9.623 1.389 9.912 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -8.407 2.411 9.171 1.00 0.00 H new ATOM 0 HG LEU A 29 -10.006 0.314 7.676 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -11.278 2.213 6.757 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -11.475 2.079 8.521 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -10.398 3.320 7.837 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -9.180 1.493 5.676 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -8.218 2.572 6.714 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -7.845 0.833 6.651 1.00 0.00 H new ATOM 423 N MET A 30 -7.120 0.819 11.665 1.00 0.00 N ATOM 424 CA MET A 30 -6.223 1.291 12.714 1.00 0.00 C ATOM 425 C MET A 30 -4.860 0.615 12.610 1.00 0.00 C ATOM 426 O MET A 30 -3.823 1.268 12.710 1.00 0.00 O ATOM 427 CB MET A 30 -6.832 1.027 14.092 1.00 0.00 C ATOM 428 CG MET A 30 -5.875 1.296 15.242 1.00 0.00 C ATOM 429 SD MET A 30 -6.724 1.803 16.749 1.00 0.00 S ATOM 430 CE MET A 30 -6.744 0.262 17.662 1.00 0.00 C ATOM 0 H MET A 30 -8.000 0.432 12.005 1.00 0.00 H new ATOM 0 HA MET A 30 -6.087 2.365 12.584 1.00 0.00 H new ATOM 0 HB2 MET A 30 -7.718 1.650 14.214 1.00 0.00 H new ATOM 0 HB3 MET A 30 -7.163 -0.010 14.141 1.00 0.00 H new ATOM 0 HG2 MET A 30 -5.293 0.397 15.443 1.00 0.00 H new ATOM 0 HG3 MET A 30 -5.170 2.073 14.948 1.00 0.00 H new ATOM 0 HE1 MET A 30 -7.239 0.414 18.621 1.00 0.00 H new ATOM 0 HE2 MET A 30 -7.284 -0.493 17.090 1.00 0.00 H new ATOM 0 HE3 MET A 30 -5.721 -0.074 17.831 1.00 0.00 H new ATOM 440 N GLY A 31 -4.870 -0.700 12.408 1.00 0.00 N ATOM 441 CA GLY A 31 -3.629 -1.442 12.294 1.00 0.00 C ATOM 442 C GLY A 31 -2.936 -1.213 10.965 1.00 0.00 C ATOM 443 O GLY A 31 -1.707 -1.170 10.897 1.00 0.00 O ATOM 0 H GLY A 31 -5.716 -1.264 12.321 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -2.960 -1.151 13.104 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -3.833 -2.506 12.415 1.00 0.00 H new ATOM 447 N LEU A 32 -3.724 -1.066 9.906 1.00 0.00 N ATOM 448 CA LEU A 32 -3.179 -0.841 8.572 1.00 0.00 C ATOM 449 C LEU A 32 -2.381 0.458 8.522 1.00 0.00 C ATOM 450 O LEU A 32 -1.294 0.507 7.948 1.00 0.00 O ATOM 451 CB LEU A 32 -4.307 -0.800 7.539 1.00 0.00 C ATOM 452 CG LEU A 32 -4.753 -2.151 6.978 1.00 0.00 C ATOM 453 CD1 LEU A 32 -6.082 -2.014 6.251 1.00 0.00 C ATOM 454 CD2 LEU A 32 -3.691 -2.720 6.050 1.00 0.00 C ATOM 0 H LEU A 32 -4.743 -1.099 9.945 1.00 0.00 H new ATOM 0 HA LEU A 32 -2.508 -1.667 8.336 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -5.171 -0.315 7.993 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -3.989 -0.171 6.708 1.00 0.00 H new ATOM 0 HG LEU A 32 -4.887 -2.842 7.810 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -6.384 -2.985 5.858 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -6.841 -1.651 6.945 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -5.975 -1.307 5.428 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -4.026 -3.681 5.660 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -3.524 -2.031 5.222 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -2.761 -2.856 6.602 1.00 0.00 H new ATOM 466 N GLU A 33 -2.928 1.507 9.128 1.00 0.00 N ATOM 467 CA GLU A 33 -2.265 2.805 9.153 1.00 0.00 C ATOM 468 C GLU A 33 -1.052 2.779 10.078 1.00 0.00 C ATOM 469 O GLU A 33 -0.046 3.441 9.821 1.00 0.00 O ATOM 470 CB GLU A 33 -3.242 3.893 9.605 1.00 0.00 C ATOM 471 CG GLU A 33 -4.385 4.126 8.633 1.00 0.00 C ATOM 472 CD GLU A 33 -5.463 5.027 9.205 1.00 0.00 C ATOM 473 OE1 GLU A 33 -5.130 5.898 10.035 1.00 0.00 O ATOM 474 OE2 GLU A 33 -6.640 4.859 8.822 1.00 0.00 O ATOM 0 H GLU A 33 -3.828 1.483 9.608 1.00 0.00 H new ATOM 0 HA GLU A 33 -1.924 3.030 8.142 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -3.653 3.620 10.577 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -2.696 4.826 9.741 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -3.994 4.570 7.718 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -4.825 3.167 8.359 1.00 0.00 H new ATOM 481 N LYS A 34 -1.154 2.010 11.157 1.00 0.00 N ATOM 482 CA LYS A 34 -0.067 1.895 12.121 1.00 0.00 C ATOM 483 C LYS A 34 1.173 1.288 11.474 1.00 0.00 C ATOM 484 O LYS A 34 2.261 1.861 11.535 1.00 0.00 O ATOM 485 CB LYS A 34 -0.503 1.041 13.314 1.00 0.00 C ATOM 486 CG LYS A 34 0.316 1.285 14.569 1.00 0.00 C ATOM 487 CD LYS A 34 -0.237 2.447 15.378 1.00 0.00 C ATOM 488 CE LYS A 34 0.735 2.883 16.464 1.00 0.00 C ATOM 489 NZ LYS A 34 0.937 1.820 17.487 1.00 0.00 N ATOM 0 H LYS A 34 -1.980 1.457 11.386 1.00 0.00 H new ATOM 0 HA LYS A 34 0.181 2.897 12.471 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -1.552 1.243 13.530 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -0.430 -0.012 13.042 1.00 0.00 H new ATOM 0 HG2 LYS A 34 0.322 0.384 15.182 1.00 0.00 H new ATOM 0 HG3 LYS A 34 1.351 1.491 14.295 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -0.444 3.287 14.715 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -1.185 2.157 15.832 1.00 0.00 H new ATOM 0 HE2 LYS A 34 1.693 3.139 16.012 1.00 0.00 H new ATOM 0 HE3 LYS A 34 0.359 3.785 16.947 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 1.592 2.162 18.218 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 0.024 1.581 17.924 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 1.336 0.973 17.034 1.00 0.00 H new ATOM 503 N ARG A 35 1.002 0.125 10.853 1.00 0.00 N ATOM 504 CA ARG A 35 2.107 -0.560 10.194 1.00 0.00 C ATOM 505 C ARG A 35 2.628 0.258 9.016 1.00 0.00 C ATOM 506 O ARG A 35 3.837 0.405 8.834 1.00 0.00 O ATOM 507 CB ARG A 35 1.664 -1.942 9.712 1.00 0.00 C ATOM 508 CG ARG A 35 1.676 -3.000 10.804 1.00 0.00 C ATOM 509 CD ARG A 35 3.027 -3.694 10.893 1.00 0.00 C ATOM 510 NE ARG A 35 2.914 -5.041 11.444 1.00 0.00 N ATOM 511 CZ ARG A 35 3.938 -5.712 11.960 1.00 0.00 C ATOM 512 NH1 ARG A 35 5.144 -5.163 11.996 1.00 0.00 N ATOM 513 NH2 ARG A 35 3.757 -6.935 12.442 1.00 0.00 N ATOM 0 H ARG A 35 0.108 -0.362 10.793 1.00 0.00 H new ATOM 0 HA ARG A 35 2.913 -0.677 10.919 1.00 0.00 H new ATOM 0 HB2 ARG A 35 0.658 -1.869 9.300 1.00 0.00 H new ATOM 0 HB3 ARG A 35 2.318 -2.262 8.901 1.00 0.00 H new ATOM 0 HG2 ARG A 35 1.439 -2.538 11.762 1.00 0.00 H new ATOM 0 HG3 ARG A 35 0.899 -3.738 10.605 1.00 0.00 H new ATOM 0 HD2 ARG A 35 3.475 -3.745 9.901 1.00 0.00 H new ATOM 0 HD3 ARG A 35 3.698 -3.103 11.516 1.00 0.00 H new ATOM 0 HE ARG A 35 1.999 -5.492 11.432 1.00 0.00 H new ATOM 0 HH11 ARG A 35 5.288 -4.223 11.627 1.00 0.00 H new ATOM 0 HH12 ARG A 35 5.928 -5.681 12.393 1.00 0.00 H new ATOM 0 HH21 ARG A 35 2.831 -7.361 12.417 1.00 0.00 H new ATOM 0 HH22 ARG A 35 4.544 -7.449 12.838 1.00 0.00 H new ATOM 527 N PHE A 36 1.708 0.788 8.217 1.00 0.00 N ATOM 528 CA PHE A 36 2.074 1.590 7.055 1.00 0.00 C ATOM 529 C PHE A 36 2.834 2.844 7.477 1.00 0.00 C ATOM 530 O PHE A 36 3.814 3.231 6.841 1.00 0.00 O ATOM 531 CB PHE A 36 0.823 1.980 6.264 1.00 0.00 C ATOM 532 CG PHE A 36 1.121 2.790 5.035 1.00 0.00 C ATOM 533 CD1 PHE A 36 1.643 4.069 5.141 1.00 0.00 C ATOM 534 CD2 PHE A 36 0.878 2.272 3.772 1.00 0.00 C ATOM 535 CE1 PHE A 36 1.917 4.816 4.011 1.00 0.00 C ATOM 536 CE2 PHE A 36 1.150 3.015 2.639 1.00 0.00 C ATOM 537 CZ PHE A 36 1.671 4.288 2.758 1.00 0.00 C ATOM 0 H PHE A 36 0.703 0.677 8.353 1.00 0.00 H new ATOM 0 HA PHE A 36 2.725 0.989 6.420 1.00 0.00 H new ATOM 0 HB2 PHE A 36 0.290 1.075 5.973 1.00 0.00 H new ATOM 0 HB3 PHE A 36 0.156 2.549 6.912 1.00 0.00 H new ATOM 0 HD1 PHE A 36 1.838 4.487 6.118 1.00 0.00 H new ATOM 0 HD2 PHE A 36 0.471 1.276 3.673 1.00 0.00 H new ATOM 0 HE1 PHE A 36 2.323 5.812 4.107 1.00 0.00 H new ATOM 0 HE2 PHE A 36 0.955 2.600 1.661 1.00 0.00 H new ATOM 0 HZ PHE A 36 1.886 4.870 1.874 1.00 0.00 H new ATOM 547 N GLU A 37 2.374 3.473 8.554 1.00 0.00 N ATOM 548 CA GLU A 37 3.010 4.684 9.060 1.00 0.00 C ATOM 549 C GLU A 37 4.429 4.393 9.542 1.00 0.00 C ATOM 550 O GLU A 37 5.388 5.029 9.105 1.00 0.00 O ATOM 551 CB GLU A 37 2.185 5.281 10.202 1.00 0.00 C ATOM 552 CG GLU A 37 1.101 6.237 9.734 1.00 0.00 C ATOM 553 CD GLU A 37 0.780 7.304 10.762 1.00 0.00 C ATOM 554 OE1 GLU A 37 1.565 8.267 10.883 1.00 0.00 O ATOM 555 OE2 GLU A 37 -0.258 7.176 11.445 1.00 0.00 O ATOM 0 H GLU A 37 1.564 3.165 9.092 1.00 0.00 H new ATOM 0 HA GLU A 37 3.062 5.404 8.243 1.00 0.00 H new ATOM 0 HB2 GLU A 37 1.724 4.471 10.768 1.00 0.00 H new ATOM 0 HB3 GLU A 37 2.852 5.807 10.884 1.00 0.00 H new ATOM 0 HG2 GLU A 37 1.419 6.715 8.807 1.00 0.00 H new ATOM 0 HG3 GLU A 37 0.197 5.672 9.508 1.00 0.00 H new ATOM 562 N LYS A 38 4.554 3.427 10.446 1.00 0.00 N ATOM 563 CA LYS A 38 5.854 3.049 10.988 1.00 0.00 C ATOM 564 C LYS A 38 6.774 2.534 9.886 1.00 0.00 C ATOM 565 O LYS A 38 7.962 2.853 9.858 1.00 0.00 O ATOM 566 CB LYS A 38 5.687 1.979 12.069 1.00 0.00 C ATOM 567 CG LYS A 38 4.796 2.412 13.220 1.00 0.00 C ATOM 568 CD LYS A 38 5.523 3.355 14.164 1.00 0.00 C ATOM 569 CE LYS A 38 4.631 3.784 15.320 1.00 0.00 C ATOM 570 NZ LYS A 38 5.356 4.655 16.286 1.00 0.00 N ATOM 0 H LYS A 38 3.770 2.891 10.819 1.00 0.00 H new ATOM 0 HA LYS A 38 6.307 3.936 11.430 1.00 0.00 H new ATOM 0 HB2 LYS A 38 5.270 1.079 11.617 1.00 0.00 H new ATOM 0 HB3 LYS A 38 6.669 1.714 12.461 1.00 0.00 H new ATOM 0 HG2 LYS A 38 3.906 2.904 12.827 1.00 0.00 H new ATOM 0 HG3 LYS A 38 4.458 1.534 13.770 1.00 0.00 H new ATOM 0 HD2 LYS A 38 6.415 2.865 14.554 1.00 0.00 H new ATOM 0 HD3 LYS A 38 5.857 4.235 13.615 1.00 0.00 H new ATOM 0 HE2 LYS A 38 3.763 4.317 14.931 1.00 0.00 H new ATOM 0 HE3 LYS A 38 4.257 2.901 15.837 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 4.714 4.926 17.058 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 6.169 4.138 16.677 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 5.691 5.510 15.798 1.00 0.00 H new ATOM 584 N GLN A 39 6.216 1.737 8.979 1.00 0.00 N ATOM 585 CA GLN A 39 6.988 1.180 7.875 1.00 0.00 C ATOM 586 C GLN A 39 6.235 1.325 6.557 1.00 0.00 C ATOM 587 O GLN A 39 5.449 0.456 6.179 1.00 0.00 O ATOM 588 CB GLN A 39 7.301 -0.295 8.137 1.00 0.00 C ATOM 589 CG GLN A 39 8.545 -0.790 7.418 1.00 0.00 C ATOM 590 CD GLN A 39 8.814 -2.262 7.663 1.00 0.00 C ATOM 591 OE1 GLN A 39 8.372 -2.827 8.664 1.00 0.00 O ATOM 592 NE2 GLN A 39 9.542 -2.891 6.748 1.00 0.00 N ATOM 0 H GLN A 39 5.233 1.463 8.988 1.00 0.00 H new ATOM 0 HA GLN A 39 7.923 1.736 7.802 1.00 0.00 H new ATOM 0 HB2 GLN A 39 7.427 -0.446 9.209 1.00 0.00 H new ATOM 0 HB3 GLN A 39 6.448 -0.899 7.828 1.00 0.00 H new ATOM 0 HG2 GLN A 39 8.434 -0.618 6.347 1.00 0.00 H new ATOM 0 HG3 GLN A 39 9.406 -0.208 7.747 1.00 0.00 H new ATOM 0 HE21 GLN A 39 9.888 -2.383 5.934 1.00 0.00 H new ATOM 0 HE22 GLN A 39 9.755 -3.882 6.859 1.00 0.00 H new ATOM 601 N LYS A 40 6.479 2.430 5.860 1.00 0.00 N ATOM 602 CA LYS A 40 5.826 2.690 4.583 1.00 0.00 C ATOM 603 C LYS A 40 5.669 1.403 3.780 1.00 0.00 C ATOM 604 O LYS A 40 4.744 1.269 2.978 1.00 0.00 O ATOM 605 CB LYS A 40 6.628 3.713 3.776 1.00 0.00 C ATOM 606 CG LYS A 40 6.560 5.121 4.341 1.00 0.00 C ATOM 607 CD LYS A 40 5.327 5.861 3.850 1.00 0.00 C ATOM 608 CE LYS A 40 4.923 6.969 4.811 1.00 0.00 C ATOM 609 NZ LYS A 40 4.388 6.427 6.090 1.00 0.00 N ATOM 0 H LYS A 40 7.125 3.160 6.159 1.00 0.00 H new ATOM 0 HA LYS A 40 4.834 3.094 4.786 1.00 0.00 H new ATOM 0 HB2 LYS A 40 7.670 3.396 3.737 1.00 0.00 H new ATOM 0 HB3 LYS A 40 6.259 3.724 2.750 1.00 0.00 H new ATOM 0 HG2 LYS A 40 6.549 5.077 5.430 1.00 0.00 H new ATOM 0 HG3 LYS A 40 7.455 5.673 4.053 1.00 0.00 H new ATOM 0 HD2 LYS A 40 5.524 6.285 2.866 1.00 0.00 H new ATOM 0 HD3 LYS A 40 4.501 5.159 3.735 1.00 0.00 H new ATOM 0 HE2 LYS A 40 5.786 7.603 5.018 1.00 0.00 H new ATOM 0 HE3 LYS A 40 4.169 7.600 4.341 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 3.443 6.823 6.267 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 4.323 5.391 6.028 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 5.024 6.688 6.871 1.00 0.00 H new ATOM 623 N TYR A 41 6.577 0.459 4.001 1.00 0.00 N ATOM 624 CA TYR A 41 6.540 -0.817 3.297 1.00 0.00 C ATOM 625 C TYR A 41 6.501 -1.982 4.281 1.00 0.00 C ATOM 626 O TYR A 41 6.498 -1.783 5.497 1.00 0.00 O ATOM 627 CB TYR A 41 7.755 -0.952 2.378 1.00 0.00 C ATOM 628 CG TYR A 41 8.259 0.369 1.842 1.00 0.00 C ATOM 629 CD1 TYR A 41 7.449 1.175 1.052 1.00 0.00 C ATOM 630 CD2 TYR A 41 9.545 0.811 2.126 1.00 0.00 C ATOM 631 CE1 TYR A 41 7.905 2.383 0.560 1.00 0.00 C ATOM 632 CE2 TYR A 41 10.009 2.018 1.639 1.00 0.00 C ATOM 633 CZ TYR A 41 9.186 2.800 0.857 1.00 0.00 C ATOM 634 OH TYR A 41 9.645 4.002 0.369 1.00 0.00 O ATOM 0 H TYR A 41 7.348 0.554 4.662 1.00 0.00 H new ATOM 0 HA TYR A 41 5.632 -0.844 2.694 1.00 0.00 H new ATOM 0 HB2 TYR A 41 8.560 -1.444 2.924 1.00 0.00 H new ATOM 0 HB3 TYR A 41 7.496 -1.599 1.540 1.00 0.00 H new ATOM 0 HD1 TYR A 41 6.445 0.852 0.818 1.00 0.00 H new ATOM 0 HD2 TYR A 41 10.193 0.201 2.738 1.00 0.00 H new ATOM 0 HE1 TYR A 41 7.262 2.997 -0.053 1.00 0.00 H new ATOM 0 HE2 TYR A 41 11.011 2.347 1.870 1.00 0.00 H new ATOM 0 HH TYR A 41 10.566 4.147 0.671 1.00 0.00 H new ATOM 644 N LEU A 42 6.472 -3.198 3.748 1.00 0.00 N ATOM 645 CA LEU A 42 6.434 -4.397 4.578 1.00 0.00 C ATOM 646 C LEU A 42 7.169 -5.550 3.903 1.00 0.00 C ATOM 647 O LEU A 42 6.961 -5.826 2.721 1.00 0.00 O ATOM 648 CB LEU A 42 4.986 -4.798 4.864 1.00 0.00 C ATOM 649 CG LEU A 42 4.201 -3.865 5.786 1.00 0.00 C ATOM 650 CD1 LEU A 42 2.746 -4.300 5.873 1.00 0.00 C ATOM 651 CD2 LEU A 42 4.832 -3.829 7.171 1.00 0.00 C ATOM 0 H LEU A 42 6.474 -3.380 2.744 1.00 0.00 H new ATOM 0 HA LEU A 42 6.935 -4.173 5.520 1.00 0.00 H new ATOM 0 HB2 LEU A 42 4.455 -4.869 3.915 1.00 0.00 H new ATOM 0 HB3 LEU A 42 4.986 -5.795 5.304 1.00 0.00 H new ATOM 0 HG LEU A 42 4.234 -2.859 5.367 1.00 0.00 H new ATOM 0 HD11 LEU A 42 2.203 -3.624 6.534 1.00 0.00 H new ATOM 0 HD12 LEU A 42 2.298 -4.274 4.880 1.00 0.00 H new ATOM 0 HD13 LEU A 42 2.693 -5.314 6.268 1.00 0.00 H new ATOM 0 HD21 LEU A 42 4.260 -3.160 7.814 1.00 0.00 H new ATOM 0 HD22 LEU A 42 4.830 -4.832 7.598 1.00 0.00 H new ATOM 0 HD23 LEU A 42 5.858 -3.469 7.094 1.00 0.00 H new ATOM 663 N SER A 43 8.028 -6.223 4.661 1.00 0.00 N ATOM 664 CA SER A 43 8.796 -7.346 4.136 1.00 0.00 C ATOM 665 C SER A 43 7.875 -8.498 3.746 1.00 0.00 C ATOM 666 O SER A 43 6.675 -8.472 4.024 1.00 0.00 O ATOM 667 CB SER A 43 9.817 -7.822 5.171 1.00 0.00 C ATOM 668 OG SER A 43 10.864 -8.552 4.556 1.00 0.00 O ATOM 0 H SER A 43 8.210 -6.010 5.642 1.00 0.00 H new ATOM 0 HA SER A 43 9.324 -7.008 3.245 1.00 0.00 H new ATOM 0 HB2 SER A 43 10.230 -6.963 5.700 1.00 0.00 H new ATOM 0 HB3 SER A 43 9.322 -8.447 5.914 1.00 0.00 H new ATOM 0 HG SER A 43 11.504 -8.844 5.238 1.00 0.00 H new ATOM 674 N THR A 44 8.445 -9.511 3.100 1.00 0.00 N ATOM 675 CA THR A 44 7.677 -10.672 2.670 1.00 0.00 C ATOM 676 C THR A 44 6.947 -11.314 3.844 1.00 0.00 C ATOM 677 O THR A 44 5.721 -11.429 3.857 1.00 0.00 O ATOM 678 CB THR A 44 8.579 -11.727 2.003 1.00 0.00 C ATOM 679 OG1 THR A 44 8.632 -11.504 0.589 1.00 0.00 O ATOM 680 CG2 THR A 44 8.067 -13.132 2.281 1.00 0.00 C ATOM 0 H THR A 44 9.436 -9.550 2.863 1.00 0.00 H new ATOM 0 HA THR A 44 6.948 -10.316 1.943 1.00 0.00 H new ATOM 0 HB THR A 44 9.580 -11.633 2.423 1.00 0.00 H new ATOM 0 HG1 THR A 44 9.209 -12.178 0.173 1.00 0.00 H new ATOM 0 HG21 THR A 44 8.721 -13.859 1.799 1.00 0.00 H new ATOM 0 HG22 THR A 44 8.057 -13.309 3.356 1.00 0.00 H new ATOM 0 HG23 THR A 44 7.056 -13.236 1.887 1.00 0.00 H new ATOM 688 N PRO A 45 7.715 -11.743 4.857 1.00 0.00 N ATOM 689 CA PRO A 45 7.162 -12.379 6.056 1.00 0.00 C ATOM 690 C PRO A 45 6.389 -11.397 6.929 1.00 0.00 C ATOM 691 O PRO A 45 5.593 -11.800 7.778 1.00 0.00 O ATOM 692 CB PRO A 45 8.404 -12.887 6.793 1.00 0.00 C ATOM 693 CG PRO A 45 9.507 -11.998 6.333 1.00 0.00 C ATOM 694 CD PRO A 45 9.183 -11.638 4.909 1.00 0.00 C ATOM 0 HA PRO A 45 6.446 -13.163 5.808 1.00 0.00 H new ATOM 0 HB2 PRO A 45 8.274 -12.830 7.874 1.00 0.00 H new ATOM 0 HB3 PRO A 45 8.609 -13.930 6.551 1.00 0.00 H new ATOM 0 HG2 PRO A 45 9.574 -11.106 6.955 1.00 0.00 H new ATOM 0 HG3 PRO A 45 10.470 -12.505 6.398 1.00 0.00 H new ATOM 0 HD2 PRO A 45 9.523 -10.632 4.661 1.00 0.00 H new ATOM 0 HD3 PRO A 45 9.660 -12.319 4.204 1.00 0.00 H new ATOM 702 N ASP A 46 6.627 -10.108 6.715 1.00 0.00 N ATOM 703 CA ASP A 46 5.951 -9.068 7.482 1.00 0.00 C ATOM 704 C ASP A 46 4.496 -8.928 7.044 1.00 0.00 C ATOM 705 O ASP A 46 3.577 -9.201 7.815 1.00 0.00 O ATOM 706 CB ASP A 46 6.676 -7.731 7.319 1.00 0.00 C ATOM 707 CG ASP A 46 7.975 -7.678 8.099 1.00 0.00 C ATOM 708 OD1 ASP A 46 8.144 -8.498 9.026 1.00 0.00 O ATOM 709 OD2 ASP A 46 8.823 -6.817 7.783 1.00 0.00 O ATOM 0 H ASP A 46 7.283 -9.758 6.017 1.00 0.00 H new ATOM 0 HA ASP A 46 5.969 -9.357 8.533 1.00 0.00 H new ATOM 0 HB2 ASP A 46 6.883 -7.559 6.263 1.00 0.00 H new ATOM 0 HB3 ASP A 46 6.023 -6.924 7.651 1.00 0.00 H new ATOM 714 N ARG A 47 4.296 -8.500 5.802 1.00 0.00 N ATOM 715 CA ARG A 47 2.954 -8.322 5.262 1.00 0.00 C ATOM 716 C ARG A 47 2.059 -9.502 5.630 1.00 0.00 C ATOM 717 O ARG A 47 0.865 -9.333 5.880 1.00 0.00 O ATOM 718 CB ARG A 47 3.009 -8.165 3.741 1.00 0.00 C ATOM 719 CG ARG A 47 1.640 -8.049 3.091 1.00 0.00 C ATOM 720 CD ARG A 47 1.754 -7.767 1.601 1.00 0.00 C ATOM 721 NE ARG A 47 2.502 -6.542 1.331 1.00 0.00 N ATOM 722 CZ ARG A 47 3.826 -6.492 1.249 1.00 0.00 C ATOM 723 NH1 ARG A 47 4.546 -7.594 1.415 1.00 0.00 N ATOM 724 NH2 ARG A 47 4.434 -5.340 1.001 1.00 0.00 N ATOM 0 H ARG A 47 5.047 -8.270 5.151 1.00 0.00 H new ATOM 0 HA ARG A 47 2.531 -7.417 5.699 1.00 0.00 H new ATOM 0 HB2 ARG A 47 3.594 -7.278 3.497 1.00 0.00 H new ATOM 0 HB3 ARG A 47 3.533 -9.020 3.315 1.00 0.00 H new ATOM 0 HG2 ARG A 47 1.083 -8.973 3.246 1.00 0.00 H new ATOM 0 HG3 ARG A 47 1.074 -7.251 3.571 1.00 0.00 H new ATOM 0 HD2 ARG A 47 2.245 -8.607 1.110 1.00 0.00 H new ATOM 0 HD3 ARG A 47 0.756 -7.685 1.170 1.00 0.00 H new ATOM 0 HE ARG A 47 1.978 -5.677 1.198 1.00 0.00 H new ATOM 0 HH11 ARG A 47 4.082 -8.482 1.606 1.00 0.00 H new ATOM 0 HH12 ARG A 47 5.563 -7.553 1.351 1.00 0.00 H new ATOM 0 HH21 ARG A 47 3.884 -4.490 0.873 1.00 0.00 H new ATOM 0 HH22 ARG A 47 5.451 -5.303 0.938 1.00 0.00 H new ATOM 738 N ILE A 48 2.643 -10.695 5.660 1.00 0.00 N ATOM 739 CA ILE A 48 1.899 -11.901 5.998 1.00 0.00 C ATOM 740 C ILE A 48 1.499 -11.907 7.469 1.00 0.00 C ATOM 741 O ILE A 48 0.320 -12.022 7.802 1.00 0.00 O ATOM 742 CB ILE A 48 2.717 -13.171 5.695 1.00 0.00 C ATOM 743 CG1 ILE A 48 3.103 -13.214 4.215 1.00 0.00 C ATOM 744 CG2 ILE A 48 1.928 -14.414 6.079 1.00 0.00 C ATOM 745 CD1 ILE A 48 4.141 -14.266 3.892 1.00 0.00 C ATOM 0 H ILE A 48 3.630 -10.852 5.454 1.00 0.00 H new ATOM 0 HA ILE A 48 1.001 -11.901 5.380 1.00 0.00 H new ATOM 0 HB ILE A 48 3.631 -13.147 6.289 1.00 0.00 H new ATOM 0 HG12 ILE A 48 2.209 -13.402 3.620 1.00 0.00 H new ATOM 0 HG13 ILE A 48 3.483 -12.237 3.918 1.00 0.00 H new ATOM 0 HG21 ILE A 48 2.519 -15.303 5.859 1.00 0.00 H new ATOM 0 HG22 ILE A 48 1.699 -14.385 7.144 1.00 0.00 H new ATOM 0 HG23 ILE A 48 0.999 -14.446 5.509 1.00 0.00 H new ATOM 0 HD11 ILE A 48 4.366 -14.239 2.826 1.00 0.00 H new ATOM 0 HD12 ILE A 48 5.050 -14.067 4.460 1.00 0.00 H new ATOM 0 HD13 ILE A 48 3.756 -15.251 4.157 1.00 0.00 H new ATOM 757 N ASP A 49 2.489 -11.780 8.346 1.00 0.00 N ATOM 758 CA ASP A 49 2.241 -11.767 9.783 1.00 0.00 C ATOM 759 C ASP A 49 1.089 -10.829 10.127 1.00 0.00 C ATOM 760 O ASP A 49 0.164 -11.203 10.848 1.00 0.00 O ATOM 761 CB ASP A 49 3.503 -11.344 10.536 1.00 0.00 C ATOM 762 CG ASP A 49 3.361 -11.499 12.038 1.00 0.00 C ATOM 763 OD1 ASP A 49 2.759 -12.501 12.476 1.00 0.00 O ATOM 764 OD2 ASP A 49 3.851 -10.618 12.775 1.00 0.00 O ATOM 0 H ASP A 49 3.471 -11.685 8.087 1.00 0.00 H new ATOM 0 HA ASP A 49 1.967 -12.777 10.089 1.00 0.00 H new ATOM 0 HB2 ASP A 49 4.346 -11.942 10.190 1.00 0.00 H new ATOM 0 HB3 ASP A 49 3.731 -10.304 10.301 1.00 0.00 H new ATOM 769 N LEU A 50 1.153 -9.607 9.608 1.00 0.00 N ATOM 770 CA LEU A 50 0.115 -8.614 9.861 1.00 0.00 C ATOM 771 C LEU A 50 -1.237 -9.095 9.346 1.00 0.00 C ATOM 772 O LEU A 50 -2.180 -9.269 10.117 1.00 0.00 O ATOM 773 CB LEU A 50 0.483 -7.284 9.199 1.00 0.00 C ATOM 774 CG LEU A 50 -0.664 -6.292 9.005 1.00 0.00 C ATOM 775 CD1 LEU A 50 -1.120 -5.734 10.345 1.00 0.00 C ATOM 776 CD2 LEU A 50 -0.243 -5.166 8.072 1.00 0.00 C ATOM 0 H LEU A 50 1.912 -9.281 9.010 1.00 0.00 H new ATOM 0 HA LEU A 50 0.040 -8.469 10.939 1.00 0.00 H new ATOM 0 HB2 LEU A 50 1.255 -6.803 9.800 1.00 0.00 H new ATOM 0 HB3 LEU A 50 0.923 -7.495 8.224 1.00 0.00 H new ATOM 0 HG LEU A 50 -1.502 -6.820 8.550 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -1.937 -5.030 10.187 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -1.462 -6.550 10.981 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -0.288 -5.222 10.828 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -1.072 -4.469 7.945 1.00 0.00 H new ATOM 0 HD22 LEU A 50 0.611 -4.640 8.499 1.00 0.00 H new ATOM 0 HD23 LEU A 50 0.034 -5.581 7.103 1.00 0.00 H new ATOM 788 N ALA A 51 -1.323 -9.310 8.038 1.00 0.00 N ATOM 789 CA ALA A 51 -2.559 -9.776 7.420 1.00 0.00 C ATOM 790 C ALA A 51 -3.231 -10.845 8.274 1.00 0.00 C ATOM 791 O ALA A 51 -4.449 -11.011 8.231 1.00 0.00 O ATOM 792 CB ALA A 51 -2.281 -10.312 6.023 1.00 0.00 C ATOM 0 H ALA A 51 -0.552 -9.169 7.385 1.00 0.00 H new ATOM 0 HA ALA A 51 -3.240 -8.928 7.344 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -3.212 -10.656 5.573 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -1.852 -9.521 5.408 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -1.579 -11.143 6.085 1.00 0.00 H new ATOM 798 N GLU A 52 -2.428 -11.568 9.050 1.00 0.00 N ATOM 799 CA GLU A 52 -2.947 -12.622 9.913 1.00 0.00 C ATOM 800 C GLU A 52 -3.459 -12.045 11.229 1.00 0.00 C ATOM 801 O GLU A 52 -4.511 -12.444 11.727 1.00 0.00 O ATOM 802 CB GLU A 52 -1.863 -13.666 10.188 1.00 0.00 C ATOM 803 CG GLU A 52 -1.828 -14.791 9.167 1.00 0.00 C ATOM 804 CD GLU A 52 -1.276 -16.082 9.741 1.00 0.00 C ATOM 805 OE1 GLU A 52 -0.083 -16.105 10.110 1.00 0.00 O ATOM 806 OE2 GLU A 52 -2.037 -17.069 9.820 1.00 0.00 O ATOM 0 H GLU A 52 -1.417 -11.443 9.098 1.00 0.00 H new ATOM 0 HA GLU A 52 -3.780 -13.101 9.398 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -0.891 -13.172 10.206 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -2.023 -14.091 11.179 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -2.836 -14.967 8.791 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -1.219 -14.486 8.316 1.00 0.00 H new ATOM 813 N SER A 53 -2.706 -11.103 11.788 1.00 0.00 N ATOM 814 CA SER A 53 -3.080 -10.473 13.049 1.00 0.00 C ATOM 815 C SER A 53 -4.456 -9.823 12.944 1.00 0.00 C ATOM 816 O SER A 53 -5.345 -10.089 13.755 1.00 0.00 O ATOM 817 CB SER A 53 -2.038 -9.427 13.450 1.00 0.00 C ATOM 818 OG SER A 53 -0.846 -10.043 13.907 1.00 0.00 O ATOM 0 H SER A 53 -1.833 -10.759 11.388 1.00 0.00 H new ATOM 0 HA SER A 53 -3.121 -11.247 13.816 1.00 0.00 H new ATOM 0 HB2 SER A 53 -1.816 -8.785 12.597 1.00 0.00 H new ATOM 0 HB3 SER A 53 -2.444 -8.787 14.233 1.00 0.00 H new ATOM 0 HG SER A 53 -0.196 -9.353 14.155 1.00 0.00 H new ATOM 824 N LEU A 54 -4.625 -8.969 11.941 1.00 0.00 N ATOM 825 CA LEU A 54 -5.892 -8.279 11.728 1.00 0.00 C ATOM 826 C LEU A 54 -6.884 -9.176 10.993 1.00 0.00 C ATOM 827 O LEU A 54 -8.096 -8.997 11.101 1.00 0.00 O ATOM 828 CB LEU A 54 -5.668 -6.991 10.934 1.00 0.00 C ATOM 829 CG LEU A 54 -4.563 -6.068 11.451 1.00 0.00 C ATOM 830 CD1 LEU A 54 -4.348 -4.905 10.495 1.00 0.00 C ATOM 831 CD2 LEU A 54 -4.902 -5.560 12.845 1.00 0.00 C ATOM 0 H LEU A 54 -3.900 -8.738 11.262 1.00 0.00 H new ATOM 0 HA LEU A 54 -6.309 -8.029 12.704 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -5.437 -7.259 9.903 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -6.603 -6.431 10.917 1.00 0.00 H new ATOM 0 HG LEU A 54 -3.636 -6.639 11.509 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -3.558 -4.259 10.879 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -4.060 -5.287 9.516 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -5.272 -4.334 10.404 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -4.105 -4.905 13.197 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -5.840 -5.005 12.812 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -5.004 -6.405 13.525 1.00 0.00 H new ATOM 843 N GLY A 55 -6.359 -10.143 10.247 1.00 0.00 N ATOM 844 CA GLY A 55 -7.211 -11.055 9.508 1.00 0.00 C ATOM 845 C GLY A 55 -7.344 -10.670 8.048 1.00 0.00 C ATOM 846 O GLY A 55 -8.088 -11.301 7.296 1.00 0.00 O ATOM 0 H GLY A 55 -5.358 -10.311 10.141 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -6.805 -12.064 9.579 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -8.200 -11.076 9.967 1.00 0.00 H new ATOM 850 N LEU A 56 -6.623 -9.630 7.644 1.00 0.00 N ATOM 851 CA LEU A 56 -6.665 -9.159 6.264 1.00 0.00 C ATOM 852 C LEU A 56 -5.866 -10.082 5.350 1.00 0.00 C ATOM 853 O LEU A 56 -5.155 -10.972 5.817 1.00 0.00 O ATOM 854 CB LEU A 56 -6.116 -7.734 6.174 1.00 0.00 C ATOM 855 CG LEU A 56 -6.801 -6.693 7.060 1.00 0.00 C ATOM 856 CD1 LEU A 56 -5.851 -5.547 7.370 1.00 0.00 C ATOM 857 CD2 LEU A 56 -8.066 -6.173 6.392 1.00 0.00 C ATOM 0 H LEU A 56 -6.002 -9.097 8.253 1.00 0.00 H new ATOM 0 HA LEU A 56 -7.704 -9.163 5.936 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -5.056 -7.758 6.429 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -6.188 -7.403 5.138 1.00 0.00 H new ATOM 0 HG LEU A 56 -7.080 -7.171 7.999 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -6.356 -4.816 8.001 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -4.974 -5.932 7.891 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -5.541 -5.070 6.440 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -8.540 -5.433 7.037 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -7.810 -5.712 5.438 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -8.754 -7.001 6.222 1.00 0.00 H new ATOM 869 N SER A 57 -5.988 -9.864 4.044 1.00 0.00 N ATOM 870 CA SER A 57 -5.279 -10.678 3.063 1.00 0.00 C ATOM 871 C SER A 57 -4.071 -9.930 2.509 1.00 0.00 C ATOM 872 O SER A 57 -4.127 -8.722 2.281 1.00 0.00 O ATOM 873 CB SER A 57 -6.218 -11.071 1.921 1.00 0.00 C ATOM 874 OG SER A 57 -6.988 -12.210 2.263 1.00 0.00 O ATOM 0 H SER A 57 -6.571 -9.131 3.641 1.00 0.00 H new ATOM 0 HA SER A 57 -4.928 -11.581 3.562 1.00 0.00 H new ATOM 0 HB2 SER A 57 -6.880 -10.237 1.687 1.00 0.00 H new ATOM 0 HB3 SER A 57 -5.636 -11.278 1.023 1.00 0.00 H new ATOM 0 HG SER A 57 -7.581 -12.440 1.517 1.00 0.00 H new ATOM 880 N GLN A 58 -2.980 -10.658 2.295 1.00 0.00 N ATOM 881 CA GLN A 58 -1.757 -10.064 1.767 1.00 0.00 C ATOM 882 C GLN A 58 -2.076 -8.979 0.744 1.00 0.00 C ATOM 883 O GLN A 58 -1.462 -7.911 0.744 1.00 0.00 O ATOM 884 CB GLN A 58 -0.876 -11.139 1.130 1.00 0.00 C ATOM 885 CG GLN A 58 -0.425 -12.214 2.106 1.00 0.00 C ATOM 886 CD GLN A 58 0.471 -13.251 1.459 1.00 0.00 C ATOM 887 OE1 GLN A 58 0.016 -14.327 1.072 1.00 0.00 O ATOM 888 NE2 GLN A 58 1.755 -12.932 1.339 1.00 0.00 N ATOM 0 H GLN A 58 -2.918 -11.659 2.479 1.00 0.00 H new ATOM 0 HA GLN A 58 -1.218 -9.608 2.597 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -1.424 -11.609 0.313 1.00 0.00 H new ATOM 0 HB3 GLN A 58 0.003 -10.665 0.693 1.00 0.00 H new ATOM 0 HG2 GLN A 58 0.106 -11.747 2.935 1.00 0.00 H new ATOM 0 HG3 GLN A 58 -1.301 -12.708 2.527 1.00 0.00 H new ATOM 0 HE21 GLN A 58 2.089 -12.028 1.674 1.00 0.00 H new ATOM 0 HE22 GLN A 58 2.406 -13.591 0.912 1.00 0.00 H new ATOM 897 N LEU A 59 -3.039 -9.259 -0.127 1.00 0.00 N ATOM 898 CA LEU A 59 -3.440 -8.307 -1.157 1.00 0.00 C ATOM 899 C LEU A 59 -3.822 -6.966 -0.539 1.00 0.00 C ATOM 900 O LEU A 59 -3.408 -5.911 -1.020 1.00 0.00 O ATOM 901 CB LEU A 59 -4.615 -8.863 -1.963 1.00 0.00 C ATOM 902 CG LEU A 59 -5.224 -7.918 -3.000 1.00 0.00 C ATOM 903 CD1 LEU A 59 -4.258 -7.698 -4.154 1.00 0.00 C ATOM 904 CD2 LEU A 59 -6.549 -8.468 -3.509 1.00 0.00 C ATOM 0 H LEU A 59 -3.557 -10.138 -0.141 1.00 0.00 H new ATOM 0 HA LEU A 59 -2.592 -8.151 -1.823 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -4.284 -9.767 -2.475 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -5.399 -9.160 -1.267 1.00 0.00 H new ATOM 0 HG LEU A 59 -5.412 -6.957 -2.522 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -4.708 -7.023 -4.882 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -3.334 -7.260 -3.777 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -4.038 -8.653 -4.632 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -6.968 -7.783 -4.246 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -6.385 -9.442 -3.971 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -7.243 -8.574 -2.675 1.00 0.00 H new ATOM 916 N GLN A 60 -4.612 -7.015 0.528 1.00 0.00 N ATOM 917 CA GLN A 60 -5.048 -5.803 1.212 1.00 0.00 C ATOM 918 C GLN A 60 -3.877 -4.852 1.435 1.00 0.00 C ATOM 919 O GLN A 60 -3.843 -3.752 0.884 1.00 0.00 O ATOM 920 CB GLN A 60 -5.698 -6.154 2.552 1.00 0.00 C ATOM 921 CG GLN A 60 -6.786 -7.210 2.442 1.00 0.00 C ATOM 922 CD GLN A 60 -7.863 -6.837 1.443 1.00 0.00 C ATOM 923 OE1 GLN A 60 -7.578 -6.568 0.276 1.00 0.00 O ATOM 924 NE2 GLN A 60 -9.111 -6.819 1.897 1.00 0.00 N ATOM 0 H GLN A 60 -4.963 -7.880 0.938 1.00 0.00 H new ATOM 0 HA GLN A 60 -5.782 -5.304 0.580 1.00 0.00 H new ATOM 0 HB2 GLN A 60 -4.928 -6.507 3.238 1.00 0.00 H new ATOM 0 HB3 GLN A 60 -6.123 -5.250 2.988 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -6.337 -8.159 2.149 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -7.241 -7.361 3.421 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -9.302 -7.049 2.872 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -9.878 -6.575 1.270 1.00 0.00 H new ATOM 933 N VAL A 61 -2.917 -5.284 2.247 1.00 0.00 N ATOM 934 CA VAL A 61 -1.743 -4.472 2.543 1.00 0.00 C ATOM 935 C VAL A 61 -1.063 -4.002 1.262 1.00 0.00 C ATOM 936 O VAL A 61 -0.844 -2.807 1.064 1.00 0.00 O ATOM 937 CB VAL A 61 -0.723 -5.249 3.397 1.00 0.00 C ATOM 938 CG1 VAL A 61 0.454 -4.359 3.765 1.00 0.00 C ATOM 939 CG2 VAL A 61 -1.390 -5.809 4.644 1.00 0.00 C ATOM 0 H VAL A 61 -2.930 -6.192 2.712 1.00 0.00 H new ATOM 0 HA VAL A 61 -2.091 -3.606 3.105 1.00 0.00 H new ATOM 0 HB VAL A 61 -0.344 -6.085 2.809 1.00 0.00 H new ATOM 0 HG11 VAL A 61 1.164 -4.925 4.368 1.00 0.00 H new ATOM 0 HG12 VAL A 61 0.946 -4.012 2.856 1.00 0.00 H new ATOM 0 HG13 VAL A 61 0.097 -3.501 4.335 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -0.655 -6.355 5.236 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -1.798 -4.991 5.237 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -2.196 -6.483 4.354 1.00 0.00 H new ATOM 949 N LYS A 62 -0.731 -4.951 0.392 1.00 0.00 N ATOM 950 CA LYS A 62 -0.077 -4.635 -0.872 1.00 0.00 C ATOM 951 C LYS A 62 -0.782 -3.480 -1.576 1.00 0.00 C ATOM 952 O LYS A 62 -0.203 -2.410 -1.768 1.00 0.00 O ATOM 953 CB LYS A 62 -0.059 -5.866 -1.782 1.00 0.00 C ATOM 954 CG LYS A 62 0.921 -5.755 -2.937 1.00 0.00 C ATOM 955 CD LYS A 62 1.295 -7.122 -3.484 1.00 0.00 C ATOM 956 CE LYS A 62 1.756 -7.036 -4.931 1.00 0.00 C ATOM 957 NZ LYS A 62 2.548 -8.231 -5.333 1.00 0.00 N ATOM 0 H LYS A 62 -0.904 -5.945 0.540 1.00 0.00 H new ATOM 0 HA LYS A 62 0.948 -4.334 -0.657 1.00 0.00 H new ATOM 0 HB2 LYS A 62 0.192 -6.744 -1.187 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -1.061 -6.027 -2.181 1.00 0.00 H new ATOM 0 HG2 LYS A 62 0.482 -5.152 -3.732 1.00 0.00 H new ATOM 0 HG3 LYS A 62 1.820 -5.237 -2.604 1.00 0.00 H new ATOM 0 HD2 LYS A 62 2.088 -7.555 -2.874 1.00 0.00 H new ATOM 0 HD3 LYS A 62 0.437 -7.791 -3.413 1.00 0.00 H new ATOM 0 HE2 LYS A 62 0.888 -6.939 -5.583 1.00 0.00 H new ATOM 0 HE3 LYS A 62 2.359 -6.138 -5.067 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 2.843 -8.134 -6.325 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 3.390 -8.309 -4.727 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 1.965 -9.086 -5.227 1.00 0.00 H new ATOM 971 N THR A 63 -2.036 -3.702 -1.957 1.00 0.00 N ATOM 972 CA THR A 63 -2.820 -2.680 -2.639 1.00 0.00 C ATOM 973 C THR A 63 -3.022 -1.458 -1.750 1.00 0.00 C ATOM 974 O THR A 63 -2.558 -0.364 -2.069 1.00 0.00 O ATOM 975 CB THR A 63 -4.196 -3.222 -3.070 1.00 0.00 C ATOM 976 OG1 THR A 63 -4.029 -4.349 -3.936 1.00 0.00 O ATOM 977 CG2 THR A 63 -5.003 -2.145 -3.780 1.00 0.00 C ATOM 0 H THR A 63 -2.531 -4.581 -1.805 1.00 0.00 H new ATOM 0 HA THR A 63 -2.258 -2.390 -3.527 1.00 0.00 H new ATOM 0 HB THR A 63 -4.738 -3.529 -2.175 1.00 0.00 H new ATOM 0 HG1 THR A 63 -4.908 -4.689 -4.204 1.00 0.00 H new ATOM 0 HG21 THR A 63 -5.971 -2.551 -4.075 1.00 0.00 H new ATOM 0 HG22 THR A 63 -5.153 -1.300 -3.108 1.00 0.00 H new ATOM 0 HG23 THR A 63 -4.464 -1.811 -4.667 1.00 0.00 H new ATOM 985 N TRP A 64 -3.718 -1.653 -0.636 1.00 0.00 N ATOM 986 CA TRP A 64 -3.981 -0.566 0.300 1.00 0.00 C ATOM 987 C TRP A 64 -2.774 0.359 0.414 1.00 0.00 C ATOM 988 O TRP A 64 -2.908 1.581 0.344 1.00 0.00 O ATOM 989 CB TRP A 64 -4.341 -1.126 1.677 1.00 0.00 C ATOM 990 CG TRP A 64 -4.933 -0.104 2.599 1.00 0.00 C ATOM 991 CD1 TRP A 64 -6.212 0.377 2.576 1.00 0.00 C ATOM 992 CD2 TRP A 64 -4.270 0.566 3.676 1.00 0.00 C ATOM 993 NE1 TRP A 64 -6.383 1.304 3.576 1.00 0.00 N ATOM 994 CE2 TRP A 64 -5.207 1.437 4.265 1.00 0.00 C ATOM 995 CE3 TRP A 64 -2.977 0.512 4.203 1.00 0.00 C ATOM 996 CZ2 TRP A 64 -4.889 2.248 5.352 1.00 0.00 C ATOM 997 CZ3 TRP A 64 -2.662 1.317 5.281 1.00 0.00 C ATOM 998 CH2 TRP A 64 -3.615 2.175 5.847 1.00 0.00 C ATOM 0 H TRP A 64 -4.110 -2.553 -0.359 1.00 0.00 H new ATOM 0 HA TRP A 64 -4.823 0.011 -0.081 1.00 0.00 H new ATOM 0 HB2 TRP A 64 -5.048 -1.946 1.554 1.00 0.00 H new ATOM 0 HB3 TRP A 64 -3.445 -1.544 2.137 1.00 0.00 H new ATOM 0 HD1 TRP A 64 -6.976 0.073 1.875 1.00 0.00 H new ATOM 0 HE1 TRP A 64 -7.246 1.811 3.773 1.00 0.00 H new ATOM 0 HE3 TRP A 64 -2.237 -0.148 3.775 1.00 0.00 H new ATOM 0 HZ2 TRP A 64 -5.622 2.911 5.789 1.00 0.00 H new ATOM 0 HZ3 TRP A 64 -1.665 1.285 5.694 1.00 0.00 H new ATOM 0 HH2 TRP A 64 -3.339 2.791 6.690 1.00 0.00 H new ATOM 1009 N TYR A 65 -1.597 -0.231 0.589 1.00 0.00 N ATOM 1010 CA TYR A 65 -0.366 0.541 0.715 1.00 0.00 C ATOM 1011 C TYR A 65 -0.110 1.366 -0.543 1.00 0.00 C ATOM 1012 O TYR A 65 -0.122 2.596 -0.504 1.00 0.00 O ATOM 1013 CB TYR A 65 0.819 -0.388 0.979 1.00 0.00 C ATOM 1014 CG TYR A 65 1.027 -0.705 2.443 1.00 0.00 C ATOM 1015 CD1 TYR A 65 -0.009 -1.211 3.218 1.00 0.00 C ATOM 1016 CD2 TYR A 65 2.259 -0.498 3.050 1.00 0.00 C ATOM 1017 CE1 TYR A 65 0.176 -1.500 4.556 1.00 0.00 C ATOM 1018 CE2 TYR A 65 2.454 -0.786 4.387 1.00 0.00 C ATOM 1019 CZ TYR A 65 1.409 -1.287 5.136 1.00 0.00 C ATOM 1020 OH TYR A 65 1.598 -1.575 6.468 1.00 0.00 O ATOM 0 H TYR A 65 -1.469 -1.241 0.647 1.00 0.00 H new ATOM 0 HA TYR A 65 -0.479 1.222 1.558 1.00 0.00 H new ATOM 0 HB2 TYR A 65 0.669 -1.319 0.432 1.00 0.00 H new ATOM 0 HB3 TYR A 65 1.725 0.071 0.583 1.00 0.00 H new ATOM 0 HD1 TYR A 65 -0.975 -1.381 2.767 1.00 0.00 H new ATOM 0 HD2 TYR A 65 3.079 -0.105 2.467 1.00 0.00 H new ATOM 0 HE1 TYR A 65 -0.641 -1.891 5.145 1.00 0.00 H new ATOM 0 HE2 TYR A 65 3.419 -0.620 4.843 1.00 0.00 H new ATOM 0 HH TYR A 65 2.523 -1.369 6.719 1.00 0.00 H new ATOM 1030 N GLN A 66 0.121 0.679 -1.657 1.00 0.00 N ATOM 1031 CA GLN A 66 0.380 1.347 -2.926 1.00 0.00 C ATOM 1032 C GLN A 66 -0.430 2.634 -3.039 1.00 0.00 C ATOM 1033 O GLN A 66 0.128 3.716 -3.218 1.00 0.00 O ATOM 1034 CB GLN A 66 0.047 0.416 -4.094 1.00 0.00 C ATOM 1035 CG GLN A 66 1.114 -0.633 -4.359 1.00 0.00 C ATOM 1036 CD GLN A 66 0.730 -1.587 -5.473 1.00 0.00 C ATOM 1037 OE1 GLN A 66 0.035 -2.578 -5.245 1.00 0.00 O ATOM 1038 NE2 GLN A 66 1.183 -1.294 -6.686 1.00 0.00 N ATOM 0 H GLN A 66 0.134 -0.340 -1.706 1.00 0.00 H new ATOM 0 HA GLN A 66 1.439 1.602 -2.964 1.00 0.00 H new ATOM 0 HB2 GLN A 66 -0.900 -0.084 -3.890 1.00 0.00 H new ATOM 0 HB3 GLN A 66 -0.095 1.013 -4.995 1.00 0.00 H new ATOM 0 HG2 GLN A 66 2.050 -0.137 -4.617 1.00 0.00 H new ATOM 0 HG3 GLN A 66 1.295 -1.200 -3.446 1.00 0.00 H new ATOM 0 HE21 GLN A 66 1.756 -0.462 -6.829 1.00 0.00 H new ATOM 0 HE22 GLN A 66 0.958 -1.901 -7.475 1.00 0.00 H new ATOM 1047 N ASN A 67 -1.749 2.508 -2.935 1.00 0.00 N ATOM 1048 CA ASN A 67 -2.636 3.662 -3.027 1.00 0.00 C ATOM 1049 C ASN A 67 -2.287 4.702 -1.967 1.00 0.00 C ATOM 1050 O ASN A 67 -2.037 5.866 -2.282 1.00 0.00 O ATOM 1051 CB ASN A 67 -4.094 3.225 -2.868 1.00 0.00 C ATOM 1052 CG ASN A 67 -4.571 2.372 -4.027 1.00 0.00 C ATOM 1053 OD1 ASN A 67 -4.814 2.875 -5.124 1.00 0.00 O ATOM 1054 ND2 ASN A 67 -4.708 1.073 -3.788 1.00 0.00 N ATOM 0 H ASN A 67 -2.227 1.619 -2.787 1.00 0.00 H new ATOM 0 HA ASN A 67 -2.504 4.113 -4.011 1.00 0.00 H new ATOM 0 HB2 ASN A 67 -4.203 2.665 -1.939 1.00 0.00 H new ATOM 0 HB3 ASN A 67 -4.728 4.108 -2.785 1.00 0.00 H new ATOM 0 HD21 ASN A 67 -5.026 0.449 -4.529 1.00 0.00 H new ATOM 0 HD22 ASN A 67 -4.495 0.699 -2.863 1.00 0.00 H new ATOM 1061 N ARG A 68 -2.272 4.275 -0.708 1.00 0.00 N ATOM 1062 CA ARG A 68 -1.954 5.169 0.399 1.00 0.00 C ATOM 1063 C ARG A 68 -0.665 5.938 0.124 1.00 0.00 C ATOM 1064 O ARG A 68 -0.516 7.087 0.539 1.00 0.00 O ATOM 1065 CB ARG A 68 -1.820 4.376 1.700 1.00 0.00 C ATOM 1066 CG ARG A 68 -3.147 3.882 2.252 1.00 0.00 C ATOM 1067 CD ARG A 68 -3.926 5.006 2.918 1.00 0.00 C ATOM 1068 NE ARG A 68 -5.229 4.557 3.401 1.00 0.00 N ATOM 1069 CZ ARG A 68 -6.118 5.362 3.972 1.00 0.00 C ATOM 1070 NH1 ARG A 68 -5.846 6.650 4.131 1.00 0.00 N ATOM 1071 NH2 ARG A 68 -7.283 4.879 4.386 1.00 0.00 N ATOM 0 H ARG A 68 -2.476 3.315 -0.429 1.00 0.00 H new ATOM 0 HA ARG A 68 -2.769 5.885 0.500 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -1.167 3.521 1.528 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -1.335 5.002 2.449 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -3.742 3.454 1.445 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -2.968 3.085 2.973 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -3.347 5.403 3.752 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -4.064 5.822 2.208 1.00 0.00 H new ATOM 0 HE ARG A 68 -5.470 3.572 3.294 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -4.952 7.025 3.814 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -6.531 7.265 4.570 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -7.496 3.889 4.266 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -7.965 5.498 4.824 1.00 0.00 H new