USER MOD reduce.3.24.130724 H: found=0, std=0, add=385, rem=0, adj=13 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 Set 1.1: A 25 THR OG1 : rot 180:sc= -0.189 USER MOD Set 1.2: A 28 GLN : amide:sc= -0.903 K(o=-1.1,f=-7.6!) USER MOD Single : A 30 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 34 LYS NZ :NH3+ 165:sc= 0 (180deg=-0.296) USER MOD Single : A 38 LYS NZ :NH3+ 166:sc= -0.193 (180deg=-0.41) USER MOD Single : A 39 GLN :FLIP amide:sc= 0 F(o=-1.6,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 64:sc= 0.153 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 58 GLN :FLIP amide:sc= -0.374 F(o=-1.2,f=-0.37) USER MOD Single : A 60 GLN : amide:sc= -6.16! C(o=-6.2!,f=-7.4!) USER MOD Single : A 62 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0158) USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 65 TYR OH : rot -15:sc= -1.92! USER MOD Single : A 66 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 67 ASN : amide:sc= -0.0202 X(o=-0.02,f=-0.15) USER MOD ----------------------------------------------------------------- ATOM 319 N PHE A 24 -12.759 -1.685 4.487 1.00 0.00 N ATOM 320 CA PHE A 24 -12.044 -2.130 5.677 1.00 0.00 C ATOM 321 C PHE A 24 -12.789 -1.720 6.945 1.00 0.00 C ATOM 322 O PHE A 24 -13.690 -0.881 6.906 1.00 0.00 O ATOM 323 CB PHE A 24 -10.628 -1.551 5.695 1.00 0.00 C ATOM 324 CG PHE A 24 -9.858 -1.813 4.432 1.00 0.00 C ATOM 325 CD1 PHE A 24 -9.097 -2.962 4.295 1.00 0.00 C ATOM 326 CD2 PHE A 24 -9.896 -0.910 3.382 1.00 0.00 C ATOM 327 CE1 PHE A 24 -8.386 -3.205 3.135 1.00 0.00 C ATOM 328 CE2 PHE A 24 -9.189 -1.148 2.218 1.00 0.00 C ATOM 329 CZ PHE A 24 -8.433 -2.297 2.095 1.00 0.00 C ATOM 0 HA PHE A 24 -11.984 -3.218 5.647 1.00 0.00 H new ATOM 0 HB2 PHE A 24 -10.686 -0.475 5.859 1.00 0.00 H new ATOM 0 HB3 PHE A 24 -10.082 -1.973 6.538 1.00 0.00 H new ATOM 0 HD1 PHE A 24 -9.059 -3.676 5.104 1.00 0.00 H new ATOM 0 HD2 PHE A 24 -10.485 -0.009 3.474 1.00 0.00 H new ATOM 0 HE1 PHE A 24 -7.794 -4.104 3.042 1.00 0.00 H new ATOM 0 HE2 PHE A 24 -9.228 -0.437 1.406 1.00 0.00 H new ATOM 0 HZ PHE A 24 -7.879 -2.485 1.187 1.00 0.00 H new ATOM 339 N THR A 25 -12.407 -2.318 8.069 1.00 0.00 N ATOM 340 CA THR A 25 -13.038 -2.018 9.347 1.00 0.00 C ATOM 341 C THR A 25 -12.182 -1.063 10.172 1.00 0.00 C ATOM 342 O THR A 25 -10.966 -0.996 9.996 1.00 0.00 O ATOM 343 CB THR A 25 -13.291 -3.299 10.164 1.00 0.00 C ATOM 344 OG1 THR A 25 -12.046 -3.935 10.474 1.00 0.00 O ATOM 345 CG2 THR A 25 -14.182 -4.263 9.396 1.00 0.00 C ATOM 0 H THR A 25 -11.663 -3.014 8.119 1.00 0.00 H new ATOM 0 HA THR A 25 -13.994 -1.544 9.124 1.00 0.00 H new ATOM 0 HB THR A 25 -13.797 -3.021 11.089 1.00 0.00 H new ATOM 0 HG1 THR A 25 -12.215 -4.748 10.995 1.00 0.00 H new ATOM 0 HG21 THR A 25 -14.347 -5.160 9.993 1.00 0.00 H new ATOM 0 HG22 THR A 25 -15.139 -3.786 9.187 1.00 0.00 H new ATOM 0 HG23 THR A 25 -13.699 -4.535 8.457 1.00 0.00 H new ATOM 353 N GLU A 26 -12.825 -0.328 11.074 1.00 0.00 N ATOM 354 CA GLU A 26 -12.121 0.623 11.926 1.00 0.00 C ATOM 355 C GLU A 26 -10.852 0.001 12.502 1.00 0.00 C ATOM 356 O GLU A 26 -9.801 0.642 12.555 1.00 0.00 O ATOM 357 CB GLU A 26 -13.031 1.096 13.061 1.00 0.00 C ATOM 358 CG GLU A 26 -13.861 2.318 12.706 1.00 0.00 C ATOM 359 CD GLU A 26 -15.039 2.515 13.641 1.00 0.00 C ATOM 360 OE1 GLU A 26 -14.818 2.955 14.788 1.00 0.00 O ATOM 361 OE2 GLU A 26 -16.181 2.227 13.225 1.00 0.00 O ATOM 0 H GLU A 26 -13.831 -0.373 11.233 1.00 0.00 H new ATOM 0 HA GLU A 26 -11.840 1.481 11.315 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -13.699 0.282 13.343 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -12.420 1.323 13.935 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -13.227 3.204 12.735 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -14.226 2.220 11.684 1.00 0.00 H new ATOM 368 N LEU A 27 -10.957 -1.251 12.933 1.00 0.00 N ATOM 369 CA LEU A 27 -9.819 -1.961 13.507 1.00 0.00 C ATOM 370 C LEU A 27 -8.740 -2.199 12.455 1.00 0.00 C ATOM 371 O LEU A 27 -7.583 -1.826 12.646 1.00 0.00 O ATOM 372 CB LEU A 27 -10.272 -3.296 14.100 1.00 0.00 C ATOM 373 CG LEU A 27 -9.417 -3.849 15.240 1.00 0.00 C ATOM 374 CD1 LEU A 27 -9.803 -3.200 16.560 1.00 0.00 C ATOM 375 CD2 LEU A 27 -9.556 -5.362 15.326 1.00 0.00 C ATOM 0 H LEU A 27 -11.819 -1.796 12.896 1.00 0.00 H new ATOM 0 HA LEU A 27 -9.398 -1.343 14.300 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -11.294 -3.182 14.462 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -10.298 -4.036 13.300 1.00 0.00 H new ATOM 0 HG LEU A 27 -8.373 -3.612 15.034 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -9.184 -3.606 17.360 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -9.650 -2.123 16.494 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -10.852 -3.405 16.773 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -8.940 -5.738 16.143 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -10.599 -5.622 15.508 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -9.229 -5.811 14.388 1.00 0.00 H new ATOM 387 N GLN A 28 -9.128 -2.819 11.346 1.00 0.00 N ATOM 388 CA GLN A 28 -8.193 -3.104 10.264 1.00 0.00 C ATOM 389 C GLN A 28 -7.465 -1.838 9.825 1.00 0.00 C ATOM 390 O GLN A 28 -6.241 -1.828 9.693 1.00 0.00 O ATOM 391 CB GLN A 28 -8.930 -3.721 9.074 1.00 0.00 C ATOM 392 CG GLN A 28 -9.483 -5.109 9.354 1.00 0.00 C ATOM 393 CD GLN A 28 -10.600 -5.495 8.404 1.00 0.00 C ATOM 394 OE1 GLN A 28 -11.050 -4.684 7.595 1.00 0.00 O ATOM 395 NE2 GLN A 28 -11.055 -6.739 8.499 1.00 0.00 N ATOM 0 H GLN A 28 -10.083 -3.134 11.173 1.00 0.00 H new ATOM 0 HA GLN A 28 -7.455 -3.815 10.634 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -9.750 -3.064 8.785 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -8.250 -3.775 8.224 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -8.677 -5.839 9.277 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -9.853 -5.149 10.379 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -10.653 -7.378 9.184 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -11.807 -7.055 7.887 1.00 0.00 H new ATOM 404 N LEU A 29 -8.226 -0.772 9.601 1.00 0.00 N ATOM 405 CA LEU A 29 -7.653 0.500 9.176 1.00 0.00 C ATOM 406 C LEU A 29 -6.681 1.036 10.222 1.00 0.00 C ATOM 407 O LEU A 29 -5.573 1.460 9.895 1.00 0.00 O ATOM 408 CB LEU A 29 -8.763 1.523 8.924 1.00 0.00 C ATOM 409 CG LEU A 29 -9.478 1.419 7.576 1.00 0.00 C ATOM 410 CD1 LEU A 29 -10.774 2.214 7.597 1.00 0.00 C ATOM 411 CD2 LEU A 29 -8.571 1.902 6.453 1.00 0.00 C ATOM 0 H LEU A 29 -9.240 -0.763 9.707 1.00 0.00 H new ATOM 0 HA LEU A 29 -7.105 0.332 8.249 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -9.506 1.425 9.715 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -8.335 2.522 9.010 1.00 0.00 H new ATOM 0 HG LEU A 29 -9.721 0.372 7.395 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -11.269 2.128 6.630 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -11.429 1.822 8.376 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -10.555 3.262 7.801 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -9.096 1.821 5.501 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -8.297 2.942 6.629 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -7.670 1.289 6.424 1.00 0.00 H new ATOM 423 N MET A 30 -7.102 1.011 11.482 1.00 0.00 N ATOM 424 CA MET A 30 -6.267 1.491 12.577 1.00 0.00 C ATOM 425 C MET A 30 -4.898 0.819 12.551 1.00 0.00 C ATOM 426 O MET A 30 -3.870 1.477 12.709 1.00 0.00 O ATOM 427 CB MET A 30 -6.950 1.230 13.921 1.00 0.00 C ATOM 428 CG MET A 30 -6.068 1.535 15.121 1.00 0.00 C ATOM 429 SD MET A 30 -7.017 2.028 16.572 1.00 0.00 S ATOM 430 CE MET A 30 -7.339 0.434 17.324 1.00 0.00 C ATOM 0 H MET A 30 -8.017 0.663 11.770 1.00 0.00 H new ATOM 0 HA MET A 30 -6.128 2.565 12.451 1.00 0.00 H new ATOM 0 HB2 MET A 30 -7.855 1.835 13.983 1.00 0.00 H new ATOM 0 HB3 MET A 30 -7.260 0.186 13.965 1.00 0.00 H new ATOM 0 HG2 MET A 30 -5.473 0.654 15.363 1.00 0.00 H new ATOM 0 HG3 MET A 30 -5.369 2.330 14.861 1.00 0.00 H new ATOM 0 HE1 MET A 30 -7.920 0.573 18.236 1.00 0.00 H new ATOM 0 HE2 MET A 30 -7.900 -0.190 16.628 1.00 0.00 H new ATOM 0 HE3 MET A 30 -6.394 -0.052 17.566 1.00 0.00 H new ATOM 440 N GLY A 31 -4.892 -0.495 12.349 1.00 0.00 N ATOM 441 CA GLY A 31 -3.643 -1.233 12.307 1.00 0.00 C ATOM 442 C GLY A 31 -2.874 -0.998 11.022 1.00 0.00 C ATOM 443 O GLY A 31 -1.668 -0.749 11.047 1.00 0.00 O ATOM 0 H GLY A 31 -5.729 -1.061 12.214 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -3.024 -0.942 13.156 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -3.850 -2.298 12.413 1.00 0.00 H new ATOM 447 N LEU A 32 -3.571 -1.079 9.894 1.00 0.00 N ATOM 448 CA LEU A 32 -2.946 -0.874 8.592 1.00 0.00 C ATOM 449 C LEU A 32 -2.158 0.431 8.565 1.00 0.00 C ATOM 450 O LEU A 32 -0.996 0.457 8.160 1.00 0.00 O ATOM 451 CB LEU A 32 -4.008 -0.865 7.490 1.00 0.00 C ATOM 452 CG LEU A 32 -4.499 -2.234 7.019 1.00 0.00 C ATOM 453 CD1 LEU A 32 -5.783 -2.094 6.217 1.00 0.00 C ATOM 454 CD2 LEU A 32 -3.426 -2.931 6.194 1.00 0.00 C ATOM 0 H LEU A 32 -4.569 -1.285 9.855 1.00 0.00 H new ATOM 0 HA LEU A 32 -2.254 -1.698 8.415 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -4.867 -0.296 7.846 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -3.606 -0.330 6.630 1.00 0.00 H new ATOM 0 HG LEU A 32 -4.708 -2.845 7.897 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -6.117 -3.079 5.890 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -6.553 -1.638 6.839 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -5.601 -1.465 5.346 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -3.793 -3.904 5.867 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -3.185 -2.323 5.322 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -2.531 -3.066 6.801 1.00 0.00 H new ATOM 466 N GLU A 33 -2.797 1.512 9.001 1.00 0.00 N ATOM 467 CA GLU A 33 -2.154 2.820 9.028 1.00 0.00 C ATOM 468 C GLU A 33 -0.959 2.820 9.977 1.00 0.00 C ATOM 469 O GLU A 33 0.100 3.362 9.661 1.00 0.00 O ATOM 470 CB GLU A 33 -3.156 3.897 9.452 1.00 0.00 C ATOM 471 CG GLU A 33 -4.177 4.234 8.379 1.00 0.00 C ATOM 472 CD GLU A 33 -5.178 5.278 8.834 1.00 0.00 C ATOM 473 OE1 GLU A 33 -5.467 5.333 10.048 1.00 0.00 O ATOM 474 OE2 GLU A 33 -5.673 6.040 7.977 1.00 0.00 O ATOM 0 H GLU A 33 -3.759 1.508 9.340 1.00 0.00 H new ATOM 0 HA GLU A 33 -1.797 3.041 8.022 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -3.680 3.562 10.347 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -2.612 4.802 9.721 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -3.659 4.595 7.491 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -4.709 3.327 8.091 1.00 0.00 H new ATOM 481 N LYS A 34 -1.138 2.207 11.143 1.00 0.00 N ATOM 482 CA LYS A 34 -0.076 2.134 12.140 1.00 0.00 C ATOM 483 C LYS A 34 1.195 1.543 11.538 1.00 0.00 C ATOM 484 O LYS A 34 2.283 2.096 11.697 1.00 0.00 O ATOM 485 CB LYS A 34 -0.527 1.292 13.335 1.00 0.00 C ATOM 486 CG LYS A 34 0.449 1.315 14.498 1.00 0.00 C ATOM 487 CD LYS A 34 0.522 2.691 15.138 1.00 0.00 C ATOM 488 CE LYS A 34 1.654 3.520 14.550 1.00 0.00 C ATOM 489 NZ LYS A 34 2.920 3.349 15.314 1.00 0.00 N ATOM 0 H LYS A 34 -2.009 1.754 11.420 1.00 0.00 H new ATOM 0 HA LYS A 34 0.141 3.147 12.479 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -1.497 1.653 13.678 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -0.668 0.261 13.010 1.00 0.00 H new ATOM 0 HG2 LYS A 34 0.144 0.581 15.244 1.00 0.00 H new ATOM 0 HG3 LYS A 34 1.439 1.022 14.149 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -0.425 3.211 14.993 1.00 0.00 H new ATOM 0 HD3 LYS A 34 0.667 2.586 16.213 1.00 0.00 H new ATOM 0 HE2 LYS A 34 1.815 3.231 13.511 1.00 0.00 H new ATOM 0 HE3 LYS A 34 1.370 4.572 14.548 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 3.716 3.714 14.753 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 2.858 3.873 16.210 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 3.072 2.340 15.513 1.00 0.00 H new ATOM 503 N ARG A 35 1.049 0.418 10.846 1.00 0.00 N ATOM 504 CA ARG A 35 2.186 -0.247 10.221 1.00 0.00 C ATOM 505 C ARG A 35 2.700 0.558 9.031 1.00 0.00 C ATOM 506 O ARG A 35 3.820 1.068 9.052 1.00 0.00 O ATOM 507 CB ARG A 35 1.793 -1.655 9.767 1.00 0.00 C ATOM 508 CG ARG A 35 1.956 -2.711 10.847 1.00 0.00 C ATOM 509 CD ARG A 35 3.409 -3.129 11.003 1.00 0.00 C ATOM 510 NE ARG A 35 3.536 -4.468 11.573 1.00 0.00 N ATOM 511 CZ ARG A 35 4.637 -4.913 12.168 1.00 0.00 C ATOM 512 NH1 ARG A 35 5.702 -4.129 12.270 1.00 0.00 N ATOM 513 NH2 ARG A 35 4.675 -6.144 12.662 1.00 0.00 N ATOM 0 H ARG A 35 0.155 -0.052 10.704 1.00 0.00 H new ATOM 0 HA ARG A 35 2.984 -0.320 10.960 1.00 0.00 H new ATOM 0 HB2 ARG A 35 0.755 -1.644 9.435 1.00 0.00 H new ATOM 0 HB3 ARG A 35 2.400 -1.932 8.905 1.00 0.00 H new ATOM 0 HG2 ARG A 35 1.584 -2.323 11.795 1.00 0.00 H new ATOM 0 HG3 ARG A 35 1.350 -3.583 10.599 1.00 0.00 H new ATOM 0 HD2 ARG A 35 3.900 -3.101 10.030 1.00 0.00 H new ATOM 0 HD3 ARG A 35 3.926 -2.413 11.642 1.00 0.00 H new ATOM 0 HE ARG A 35 2.735 -5.096 11.511 1.00 0.00 H new ATOM 0 HH11 ARG A 35 5.677 -3.182 11.891 1.00 0.00 H new ATOM 0 HH12 ARG A 35 6.546 -4.473 12.727 1.00 0.00 H new ATOM 0 HH21 ARG A 35 3.858 -6.750 12.585 1.00 0.00 H new ATOM 0 HH22 ARG A 35 5.521 -6.484 13.119 1.00 0.00 H new ATOM 527 N PHE A 36 1.874 0.667 7.996 1.00 0.00 N ATOM 528 CA PHE A 36 2.246 1.409 6.797 1.00 0.00 C ATOM 529 C PHE A 36 3.056 2.651 7.155 1.00 0.00 C ATOM 530 O PHE A 36 4.120 2.895 6.588 1.00 0.00 O ATOM 531 CB PHE A 36 0.995 1.810 6.012 1.00 0.00 C ATOM 532 CG PHE A 36 1.295 2.596 4.767 1.00 0.00 C ATOM 533 CD1 PHE A 36 1.835 3.869 4.849 1.00 0.00 C ATOM 534 CD2 PHE A 36 1.038 2.061 3.515 1.00 0.00 C ATOM 535 CE1 PHE A 36 2.112 4.594 3.706 1.00 0.00 C ATOM 536 CE2 PHE A 36 1.312 2.781 2.368 1.00 0.00 C ATOM 537 CZ PHE A 36 1.851 4.049 2.463 1.00 0.00 C ATOM 0 H PHE A 36 0.943 0.251 7.963 1.00 0.00 H new ATOM 0 HA PHE A 36 2.864 0.761 6.176 1.00 0.00 H new ATOM 0 HB2 PHE A 36 0.443 0.911 5.740 1.00 0.00 H new ATOM 0 HB3 PHE A 36 0.345 2.401 6.657 1.00 0.00 H new ATOM 0 HD1 PHE A 36 2.042 4.300 5.818 1.00 0.00 H new ATOM 0 HD2 PHE A 36 0.618 1.069 3.435 1.00 0.00 H new ATOM 0 HE1 PHE A 36 2.532 5.586 3.784 1.00 0.00 H new ATOM 0 HE2 PHE A 36 1.105 2.353 1.398 1.00 0.00 H new ATOM 0 HZ PHE A 36 2.068 4.613 1.568 1.00 0.00 H new ATOM 547 N GLU A 37 2.542 3.434 8.099 1.00 0.00 N ATOM 548 CA GLU A 37 3.217 4.652 8.532 1.00 0.00 C ATOM 549 C GLU A 37 4.660 4.361 8.934 1.00 0.00 C ATOM 550 O GLU A 37 5.590 5.023 8.474 1.00 0.00 O ATOM 551 CB GLU A 37 2.467 5.287 9.704 1.00 0.00 C ATOM 552 CG GLU A 37 1.300 6.162 9.278 1.00 0.00 C ATOM 553 CD GLU A 37 1.740 7.539 8.821 1.00 0.00 C ATOM 554 OE1 GLU A 37 2.524 8.183 9.549 1.00 0.00 O ATOM 555 OE2 GLU A 37 1.299 7.973 7.736 1.00 0.00 O ATOM 0 H GLU A 37 1.661 3.247 8.578 1.00 0.00 H new ATOM 0 HA GLU A 37 3.226 5.350 7.695 1.00 0.00 H new ATOM 0 HB2 GLU A 37 2.098 4.498 10.359 1.00 0.00 H new ATOM 0 HB3 GLU A 37 3.165 5.886 10.289 1.00 0.00 H new ATOM 0 HG2 GLU A 37 0.759 5.671 8.470 1.00 0.00 H new ATOM 0 HG3 GLU A 37 0.605 6.265 10.111 1.00 0.00 H new ATOM 562 N LYS A 38 4.838 3.366 9.797 1.00 0.00 N ATOM 563 CA LYS A 38 6.166 2.985 10.262 1.00 0.00 C ATOM 564 C LYS A 38 7.008 2.437 9.114 1.00 0.00 C ATOM 565 O LYS A 38 8.074 2.969 8.805 1.00 0.00 O ATOM 566 CB LYS A 38 6.059 1.940 11.375 1.00 0.00 C ATOM 567 CG LYS A 38 5.596 2.511 12.703 1.00 0.00 C ATOM 568 CD LYS A 38 5.925 1.578 13.857 1.00 0.00 C ATOM 569 CE LYS A 38 4.798 0.590 14.113 1.00 0.00 C ATOM 570 NZ LYS A 38 4.915 -0.620 13.254 1.00 0.00 N ATOM 0 H LYS A 38 4.079 2.809 10.188 1.00 0.00 H new ATOM 0 HA LYS A 38 6.656 3.876 10.655 1.00 0.00 H new ATOM 0 HB2 LYS A 38 5.365 1.159 11.063 1.00 0.00 H new ATOM 0 HB3 LYS A 38 7.031 1.466 11.512 1.00 0.00 H new ATOM 0 HG2 LYS A 38 6.070 3.478 12.869 1.00 0.00 H new ATOM 0 HG3 LYS A 38 4.520 2.685 12.670 1.00 0.00 H new ATOM 0 HD2 LYS A 38 6.844 1.034 13.636 1.00 0.00 H new ATOM 0 HD3 LYS A 38 6.109 2.163 14.758 1.00 0.00 H new ATOM 0 HE2 LYS A 38 4.807 0.293 15.162 1.00 0.00 H new ATOM 0 HE3 LYS A 38 3.840 1.076 13.927 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 4.283 -1.364 13.614 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 4.647 -0.380 12.278 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 5.897 -0.963 13.269 1.00 0.00 H new ATOM 584 N GLN A 39 6.522 1.371 8.486 1.00 0.00 N ATOM 585 CA GLN A 39 7.231 0.752 7.372 1.00 0.00 C ATOM 586 C GLN A 39 6.487 0.979 6.060 1.00 0.00 C ATOM 587 O GLN A 39 5.590 0.216 5.702 1.00 0.00 O ATOM 588 CB GLN A 39 7.404 -0.747 7.621 1.00 0.00 C ATOM 589 CG GLN A 39 8.646 -1.332 6.967 1.00 0.00 C ATOM 590 CD GLN A 39 9.198 -2.524 7.724 1.00 0.00 C ATOM 591 OE1 GLN A 39 8.466 -3.632 7.700 1.00 0.00 O flip ATOM 592 NE2 GLN A 39 10.270 -2.450 8.325 1.00 0.00 N flip ATOM 0 H GLN A 39 5.641 0.918 8.729 1.00 0.00 H new ATOM 0 HA GLN A 39 8.214 1.217 7.296 1.00 0.00 H new ATOM 0 HB2 GLN A 39 7.451 -0.926 8.695 1.00 0.00 H new ATOM 0 HB3 GLN A 39 6.525 -1.273 7.248 1.00 0.00 H new ATOM 0 HG2 GLN A 39 8.407 -1.633 5.947 1.00 0.00 H new ATOM 0 HG3 GLN A 39 9.414 -0.561 6.900 1.00 0.00 H new ATOM 0 HE21 GLN A 39 10.800 -1.579 8.317 1.00 0.00 H new ATOM 0 HE22 GLN A 39 10.628 -3.260 8.831 1.00 0.00 H new ATOM 601 N LYS A 40 6.865 2.035 5.347 1.00 0.00 N ATOM 602 CA LYS A 40 6.235 2.363 4.074 1.00 0.00 C ATOM 603 C LYS A 40 5.954 1.102 3.264 1.00 0.00 C ATOM 604 O LYS A 40 4.928 1.000 2.590 1.00 0.00 O ATOM 605 CB LYS A 40 7.128 3.310 3.269 1.00 0.00 C ATOM 606 CG LYS A 40 7.414 4.624 3.975 1.00 0.00 C ATOM 607 CD LYS A 40 6.224 5.567 3.902 1.00 0.00 C ATOM 608 CE LYS A 40 6.201 6.527 5.081 1.00 0.00 C ATOM 609 NZ LYS A 40 7.272 7.556 4.980 1.00 0.00 N ATOM 0 H LYS A 40 7.605 2.678 5.630 1.00 0.00 H new ATOM 0 HA LYS A 40 5.286 2.857 4.284 1.00 0.00 H new ATOM 0 HB2 LYS A 40 8.072 2.810 3.054 1.00 0.00 H new ATOM 0 HB3 LYS A 40 6.652 3.518 2.311 1.00 0.00 H new ATOM 0 HG2 LYS A 40 7.663 4.431 5.018 1.00 0.00 H new ATOM 0 HG3 LYS A 40 8.284 5.099 3.523 1.00 0.00 H new ATOM 0 HD2 LYS A 40 6.263 6.133 2.971 1.00 0.00 H new ATOM 0 HD3 LYS A 40 5.300 4.988 3.884 1.00 0.00 H new ATOM 0 HE2 LYS A 40 5.229 7.018 5.130 1.00 0.00 H new ATOM 0 HE3 LYS A 40 6.322 5.967 6.008 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 7.222 8.191 5.802 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 8.201 7.089 4.959 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 7.142 8.108 4.108 1.00 0.00 H new ATOM 623 N TYR A 41 6.870 0.142 3.335 1.00 0.00 N ATOM 624 CA TYR A 41 6.721 -1.113 2.608 1.00 0.00 C ATOM 625 C TYR A 41 7.143 -2.297 3.472 1.00 0.00 C ATOM 626 O TYR A 41 8.307 -2.414 3.859 1.00 0.00 O ATOM 627 CB TYR A 41 7.549 -1.083 1.323 1.00 0.00 C ATOM 628 CG TYR A 41 7.556 0.265 0.637 1.00 0.00 C ATOM 629 CD1 TYR A 41 6.461 0.696 -0.102 1.00 0.00 C ATOM 630 CD2 TYR A 41 8.658 1.106 0.728 1.00 0.00 C ATOM 631 CE1 TYR A 41 6.463 1.926 -0.730 1.00 0.00 C ATOM 632 CE2 TYR A 41 8.668 2.339 0.104 1.00 0.00 C ATOM 633 CZ TYR A 41 7.569 2.744 -0.624 1.00 0.00 C ATOM 634 OH TYR A 41 7.575 3.970 -1.248 1.00 0.00 O ATOM 0 H TYR A 41 7.724 0.209 3.889 1.00 0.00 H new ATOM 0 HA TYR A 41 5.668 -1.232 2.351 1.00 0.00 H new ATOM 0 HB2 TYR A 41 8.575 -1.368 1.555 1.00 0.00 H new ATOM 0 HB3 TYR A 41 7.159 -1.831 0.632 1.00 0.00 H new ATOM 0 HD1 TYR A 41 5.594 0.058 -0.187 1.00 0.00 H new ATOM 0 HD2 TYR A 41 9.521 0.791 1.296 1.00 0.00 H new ATOM 0 HE1 TYR A 41 5.604 2.246 -1.301 1.00 0.00 H new ATOM 0 HE2 TYR A 41 9.532 2.982 0.186 1.00 0.00 H new ATOM 0 HH TYR A 41 8.427 4.422 -1.074 1.00 0.00 H new ATOM 644 N LEU A 42 6.191 -3.173 3.770 1.00 0.00 N ATOM 645 CA LEU A 42 6.462 -4.350 4.588 1.00 0.00 C ATOM 646 C LEU A 42 7.237 -5.397 3.795 1.00 0.00 C ATOM 647 O LEU A 42 7.522 -5.209 2.612 1.00 0.00 O ATOM 648 CB LEU A 42 5.153 -4.950 5.104 1.00 0.00 C ATOM 649 CG LEU A 42 4.250 -4.007 5.901 1.00 0.00 C ATOM 650 CD1 LEU A 42 2.811 -4.496 5.872 1.00 0.00 C ATOM 651 CD2 LEU A 42 4.744 -3.881 7.334 1.00 0.00 C ATOM 0 H LEU A 42 5.224 -3.091 3.457 1.00 0.00 H new ATOM 0 HA LEU A 42 7.071 -4.039 5.437 1.00 0.00 H new ATOM 0 HB2 LEU A 42 4.588 -5.327 4.251 1.00 0.00 H new ATOM 0 HB3 LEU A 42 5.393 -5.808 5.732 1.00 0.00 H new ATOM 0 HG LEU A 42 4.286 -3.021 5.438 1.00 0.00 H new ATOM 0 HD11 LEU A 42 2.183 -3.813 6.444 1.00 0.00 H new ATOM 0 HD12 LEU A 42 2.460 -4.534 4.841 1.00 0.00 H new ATOM 0 HD13 LEU A 42 2.756 -5.492 6.310 1.00 0.00 H new ATOM 0 HD21 LEU A 42 4.090 -3.206 7.886 1.00 0.00 H new ATOM 0 HD22 LEU A 42 4.738 -4.862 7.809 1.00 0.00 H new ATOM 0 HD23 LEU A 42 5.759 -3.484 7.335 1.00 0.00 H new ATOM 663 N SER A 43 7.574 -6.502 4.454 1.00 0.00 N ATOM 664 CA SER A 43 8.317 -7.579 3.810 1.00 0.00 C ATOM 665 C SER A 43 7.391 -8.734 3.443 1.00 0.00 C ATOM 666 O SER A 43 6.230 -8.770 3.853 1.00 0.00 O ATOM 667 CB SER A 43 9.433 -8.077 4.731 1.00 0.00 C ATOM 668 OG SER A 43 10.258 -7.007 5.157 1.00 0.00 O ATOM 0 H SER A 43 7.344 -6.674 5.433 1.00 0.00 H new ATOM 0 HA SER A 43 8.759 -7.186 2.894 1.00 0.00 H new ATOM 0 HB2 SER A 43 8.998 -8.573 5.599 1.00 0.00 H new ATOM 0 HB3 SER A 43 10.036 -8.819 4.208 1.00 0.00 H new ATOM 0 HG SER A 43 10.962 -7.351 5.746 1.00 0.00 H new ATOM 674 N THR A 44 7.913 -9.679 2.667 1.00 0.00 N ATOM 675 CA THR A 44 7.134 -10.836 2.243 1.00 0.00 C ATOM 676 C THR A 44 6.458 -11.509 3.431 1.00 0.00 C ATOM 677 O THR A 44 5.235 -11.633 3.492 1.00 0.00 O ATOM 678 CB THR A 44 8.014 -11.869 1.514 1.00 0.00 C ATOM 679 OG1 THR A 44 8.008 -11.611 0.105 1.00 0.00 O ATOM 680 CG2 THR A 44 7.521 -13.283 1.779 1.00 0.00 C ATOM 0 H THR A 44 8.872 -9.666 2.319 1.00 0.00 H new ATOM 0 HA THR A 44 6.372 -10.469 1.555 1.00 0.00 H new ATOM 0 HB THR A 44 9.032 -11.780 1.894 1.00 0.00 H new ATOM 0 HG1 THR A 44 8.571 -12.271 -0.351 1.00 0.00 H new ATOM 0 HG21 THR A 44 8.158 -13.995 1.254 1.00 0.00 H new ATOM 0 HG22 THR A 44 7.556 -13.486 2.849 1.00 0.00 H new ATOM 0 HG23 THR A 44 6.495 -13.383 1.424 1.00 0.00 H new ATOM 688 N PRO A 45 7.271 -11.956 4.401 1.00 0.00 N ATOM 689 CA PRO A 45 6.772 -12.624 5.606 1.00 0.00 C ATOM 690 C PRO A 45 6.030 -11.667 6.534 1.00 0.00 C ATOM 691 O PRO A 45 4.946 -11.981 7.026 1.00 0.00 O ATOM 692 CB PRO A 45 8.047 -13.139 6.279 1.00 0.00 C ATOM 693 CG PRO A 45 9.124 -12.232 5.794 1.00 0.00 C ATOM 694 CD PRO A 45 8.739 -11.842 4.394 1.00 0.00 C ATOM 0 HA PRO A 45 6.052 -13.407 5.369 1.00 0.00 H new ATOM 0 HB2 PRO A 45 7.962 -13.107 7.365 1.00 0.00 H new ATOM 0 HB3 PRO A 45 8.249 -14.175 6.005 1.00 0.00 H new ATOM 0 HG2 PRO A 45 9.212 -11.354 6.433 1.00 0.00 H new ATOM 0 HG3 PRO A 45 10.092 -12.734 5.807 1.00 0.00 H new ATOM 0 HD2 PRO A 45 9.062 -10.829 4.156 1.00 0.00 H new ATOM 0 HD3 PRO A 45 9.190 -12.503 3.654 1.00 0.00 H new ATOM 702 N ASP A 46 6.619 -10.500 6.767 1.00 0.00 N ATOM 703 CA ASP A 46 6.013 -9.497 7.635 1.00 0.00 C ATOM 704 C ASP A 46 4.561 -9.244 7.240 1.00 0.00 C ATOM 705 O ASP A 46 3.653 -9.369 8.063 1.00 0.00 O ATOM 706 CB ASP A 46 6.806 -8.191 7.573 1.00 0.00 C ATOM 707 CG ASP A 46 7.909 -8.134 8.611 1.00 0.00 C ATOM 708 OD1 ASP A 46 8.791 -9.018 8.589 1.00 0.00 O ATOM 709 OD2 ASP A 46 7.891 -7.205 9.446 1.00 0.00 O ATOM 0 H ASP A 46 7.516 -10.225 6.367 1.00 0.00 H new ATOM 0 HA ASP A 46 6.033 -9.876 8.657 1.00 0.00 H new ATOM 0 HB2 ASP A 46 7.240 -8.080 6.579 1.00 0.00 H new ATOM 0 HB3 ASP A 46 6.128 -7.350 7.721 1.00 0.00 H new ATOM 714 N ARG A 47 4.350 -8.887 5.978 1.00 0.00 N ATOM 715 CA ARG A 47 3.009 -8.614 5.475 1.00 0.00 C ATOM 716 C ARG A 47 2.021 -9.671 5.960 1.00 0.00 C ATOM 717 O ARG A 47 0.874 -9.360 6.285 1.00 0.00 O ATOM 718 CB ARG A 47 3.014 -8.568 3.946 1.00 0.00 C ATOM 719 CG ARG A 47 1.636 -8.360 3.339 1.00 0.00 C ATOM 720 CD ARG A 47 1.713 -8.185 1.830 1.00 0.00 C ATOM 721 NE ARG A 47 2.383 -9.309 1.182 1.00 0.00 N ATOM 722 CZ ARG A 47 2.858 -9.266 -0.058 1.00 0.00 C ATOM 723 NH1 ARG A 47 2.738 -8.160 -0.779 1.00 0.00 N ATOM 724 NH2 ARG A 47 3.456 -10.331 -0.578 1.00 0.00 N ATOM 0 H ARG A 47 5.090 -8.780 5.285 1.00 0.00 H new ATOM 0 HA ARG A 47 2.694 -7.644 5.859 1.00 0.00 H new ATOM 0 HB2 ARG A 47 3.672 -7.764 3.617 1.00 0.00 H new ATOM 0 HB3 ARG A 47 3.433 -9.499 3.564 1.00 0.00 H new ATOM 0 HG2 ARG A 47 1.000 -9.213 3.576 1.00 0.00 H new ATOM 0 HG3 ARG A 47 1.169 -7.482 3.785 1.00 0.00 H new ATOM 0 HD2 ARG A 47 0.706 -8.081 1.425 1.00 0.00 H new ATOM 0 HD3 ARG A 47 2.246 -7.263 1.599 1.00 0.00 H new ATOM 0 HE ARG A 47 2.492 -10.175 1.710 1.00 0.00 H new ATOM 0 HH11 ARG A 47 2.280 -7.340 -0.382 1.00 0.00 H new ATOM 0 HH12 ARG A 47 3.104 -8.129 -1.731 1.00 0.00 H new ATOM 0 HH21 ARG A 47 3.551 -11.183 -0.025 1.00 0.00 H new ATOM 0 HH22 ARG A 47 3.820 -10.297 -1.530 1.00 0.00 H new ATOM 738 N ILE A 48 2.473 -10.919 6.005 1.00 0.00 N ATOM 739 CA ILE A 48 1.629 -12.021 6.450 1.00 0.00 C ATOM 740 C ILE A 48 1.309 -11.903 7.937 1.00 0.00 C ATOM 741 O ILE A 48 0.145 -11.820 8.327 1.00 0.00 O ATOM 742 CB ILE A 48 2.297 -13.384 6.188 1.00 0.00 C ATOM 743 CG1 ILE A 48 2.596 -13.551 4.696 1.00 0.00 C ATOM 744 CG2 ILE A 48 1.409 -14.514 6.685 1.00 0.00 C ATOM 745 CD1 ILE A 48 3.518 -14.711 4.391 1.00 0.00 C ATOM 0 H ILE A 48 3.419 -11.193 5.739 1.00 0.00 H new ATOM 0 HA ILE A 48 0.705 -11.962 5.875 1.00 0.00 H new ATOM 0 HB ILE A 48 3.239 -13.421 6.735 1.00 0.00 H new ATOM 0 HG12 ILE A 48 1.658 -13.692 4.159 1.00 0.00 H new ATOM 0 HG13 ILE A 48 3.044 -12.632 4.318 1.00 0.00 H new ATOM 0 HG21 ILE A 48 1.895 -15.470 6.492 1.00 0.00 H new ATOM 0 HG22 ILE A 48 1.242 -14.401 7.756 1.00 0.00 H new ATOM 0 HG23 ILE A 48 0.453 -14.482 6.163 1.00 0.00 H new ATOM 0 HD11 ILE A 48 3.686 -14.769 3.316 1.00 0.00 H new ATOM 0 HD12 ILE A 48 4.471 -14.562 4.900 1.00 0.00 H new ATOM 0 HD13 ILE A 48 3.063 -15.639 4.738 1.00 0.00 H new ATOM 757 N ASP A 49 2.351 -11.894 8.761 1.00 0.00 N ATOM 758 CA ASP A 49 2.181 -11.782 10.206 1.00 0.00 C ATOM 759 C ASP A 49 1.107 -10.755 10.549 1.00 0.00 C ATOM 760 O ASP A 49 0.194 -11.032 11.328 1.00 0.00 O ATOM 761 CB ASP A 49 3.505 -11.395 10.867 1.00 0.00 C ATOM 762 CG ASP A 49 3.618 -11.918 12.286 1.00 0.00 C ATOM 763 OD1 ASP A 49 3.836 -13.136 12.453 1.00 0.00 O ATOM 764 OD2 ASP A 49 3.486 -11.109 13.229 1.00 0.00 O ATOM 0 H ASP A 49 3.321 -11.963 8.454 1.00 0.00 H new ATOM 0 HA ASP A 49 1.864 -12.753 10.587 1.00 0.00 H new ATOM 0 HB2 ASP A 49 4.332 -11.784 10.273 1.00 0.00 H new ATOM 0 HB3 ASP A 49 3.600 -10.309 10.874 1.00 0.00 H new ATOM 769 N LEU A 50 1.223 -9.568 9.964 1.00 0.00 N ATOM 770 CA LEU A 50 0.263 -8.497 10.209 1.00 0.00 C ATOM 771 C LEU A 50 -1.129 -8.894 9.727 1.00 0.00 C ATOM 772 O LEU A 50 -2.075 -8.954 10.513 1.00 0.00 O ATOM 773 CB LEU A 50 0.710 -7.214 9.508 1.00 0.00 C ATOM 774 CG LEU A 50 -0.360 -6.136 9.333 1.00 0.00 C ATOM 775 CD1 LEU A 50 -0.683 -5.482 10.668 1.00 0.00 C ATOM 776 CD2 LEU A 50 0.093 -5.093 8.322 1.00 0.00 C ATOM 0 H LEU A 50 1.972 -9.323 9.317 1.00 0.00 H new ATOM 0 HA LEU A 50 0.220 -8.320 11.284 1.00 0.00 H new ATOM 0 HB2 LEU A 50 1.539 -6.786 10.071 1.00 0.00 H new ATOM 0 HB3 LEU A 50 1.096 -7.478 8.523 1.00 0.00 H new ATOM 0 HG LEU A 50 -1.266 -6.609 8.955 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -1.446 -4.718 10.523 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -1.052 -6.236 11.363 1.00 0.00 H new ATOM 0 HD13 LEU A 50 0.218 -5.023 11.076 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -0.681 -4.334 8.211 1.00 0.00 H new ATOM 0 HD22 LEU A 50 1.013 -4.624 8.670 1.00 0.00 H new ATOM 0 HD23 LEU A 50 0.272 -5.573 7.360 1.00 0.00 H new ATOM 788 N ALA A 51 -1.246 -9.167 8.432 1.00 0.00 N ATOM 789 CA ALA A 51 -2.521 -9.563 7.846 1.00 0.00 C ATOM 790 C ALA A 51 -3.247 -10.564 8.738 1.00 0.00 C ATOM 791 O ALA A 51 -4.477 -10.608 8.763 1.00 0.00 O ATOM 792 CB ALA A 51 -2.306 -10.148 6.459 1.00 0.00 C ATOM 0 H ALA A 51 -0.473 -9.121 7.768 1.00 0.00 H new ATOM 0 HA ALA A 51 -3.145 -8.673 7.760 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -3.267 -10.439 6.034 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -1.837 -9.402 5.818 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -1.660 -11.023 6.529 1.00 0.00 H new ATOM 798 N GLU A 52 -2.479 -11.366 9.468 1.00 0.00 N ATOM 799 CA GLU A 52 -3.051 -12.368 10.360 1.00 0.00 C ATOM 800 C GLU A 52 -3.577 -11.721 11.638 1.00 0.00 C ATOM 801 O GLU A 52 -4.592 -12.147 12.189 1.00 0.00 O ATOM 802 CB GLU A 52 -2.006 -13.431 10.705 1.00 0.00 C ATOM 803 CG GLU A 52 -1.970 -14.590 9.723 1.00 0.00 C ATOM 804 CD GLU A 52 -3.172 -15.505 9.856 1.00 0.00 C ATOM 805 OE1 GLU A 52 -3.213 -16.293 10.824 1.00 0.00 O ATOM 806 OE2 GLU A 52 -4.071 -15.434 8.992 1.00 0.00 O ATOM 0 H GLU A 52 -1.459 -11.342 9.459 1.00 0.00 H new ATOM 0 HA GLU A 52 -3.885 -12.844 9.844 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -1.022 -12.964 10.739 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -2.209 -13.818 11.704 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -1.927 -14.199 8.707 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -1.059 -15.167 9.881 1.00 0.00 H new ATOM 813 N SER A 53 -2.877 -10.692 12.104 1.00 0.00 N ATOM 814 CA SER A 53 -3.270 -9.989 13.320 1.00 0.00 C ATOM 815 C SER A 53 -4.632 -9.323 13.147 1.00 0.00 C ATOM 816 O SER A 53 -5.503 -9.429 14.012 1.00 0.00 O ATOM 817 CB SER A 53 -2.220 -8.939 13.690 1.00 0.00 C ATOM 818 OG SER A 53 -0.945 -9.532 13.862 1.00 0.00 O ATOM 0 H SER A 53 -2.035 -10.327 11.659 1.00 0.00 H new ATOM 0 HA SER A 53 -3.342 -10.720 14.125 1.00 0.00 H new ATOM 0 HB2 SER A 53 -2.169 -8.180 12.909 1.00 0.00 H new ATOM 0 HB3 SER A 53 -2.516 -8.432 14.609 1.00 0.00 H new ATOM 0 HG SER A 53 -0.646 -9.918 13.012 1.00 0.00 H new ATOM 824 N LEU A 54 -4.809 -8.637 12.023 1.00 0.00 N ATOM 825 CA LEU A 54 -6.065 -7.952 11.735 1.00 0.00 C ATOM 826 C LEU A 54 -7.043 -8.886 11.028 1.00 0.00 C ATOM 827 O LEU A 54 -8.257 -8.701 11.104 1.00 0.00 O ATOM 828 CB LEU A 54 -5.808 -6.716 10.871 1.00 0.00 C ATOM 829 CG LEU A 54 -4.837 -5.685 11.447 1.00 0.00 C ATOM 830 CD1 LEU A 54 -4.318 -4.769 10.350 1.00 0.00 C ATOM 831 CD2 LEU A 54 -5.509 -4.876 12.547 1.00 0.00 C ATOM 0 H LEU A 54 -4.099 -8.540 11.297 1.00 0.00 H new ATOM 0 HA LEU A 54 -6.507 -7.640 12.681 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -5.426 -7.046 9.905 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -6.762 -6.223 10.685 1.00 0.00 H new ATOM 0 HG LEU A 54 -3.989 -6.215 11.880 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -3.628 -4.042 10.779 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -3.798 -5.361 9.597 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -5.155 -4.246 9.887 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -4.803 -4.147 12.945 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -6.376 -4.356 12.139 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -5.830 -5.544 13.346 1.00 0.00 H new ATOM 843 N GLY A 55 -6.506 -9.890 10.343 1.00 0.00 N ATOM 844 CA GLY A 55 -7.345 -10.839 9.635 1.00 0.00 C ATOM 845 C GLY A 55 -7.649 -10.399 8.217 1.00 0.00 C ATOM 846 O GLY A 55 -8.735 -10.659 7.697 1.00 0.00 O ATOM 0 H GLY A 55 -5.504 -10.064 10.265 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -6.851 -11.810 9.613 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -8.280 -10.970 10.180 1.00 0.00 H new ATOM 850 N LEU A 56 -6.689 -9.728 7.589 1.00 0.00 N ATOM 851 CA LEU A 56 -6.859 -9.249 6.222 1.00 0.00 C ATOM 852 C LEU A 56 -6.157 -10.171 5.230 1.00 0.00 C ATOM 853 O LEU A 56 -5.512 -11.143 5.622 1.00 0.00 O ATOM 854 CB LEU A 56 -6.313 -7.826 6.088 1.00 0.00 C ATOM 855 CG LEU A 56 -7.131 -6.726 6.766 1.00 0.00 C ATOM 856 CD1 LEU A 56 -6.333 -5.433 6.834 1.00 0.00 C ATOM 857 CD2 LEU A 56 -8.444 -6.507 6.028 1.00 0.00 C ATOM 0 H LEU A 56 -5.785 -9.504 8.005 1.00 0.00 H new ATOM 0 HA LEU A 56 -7.925 -9.246 5.994 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -5.303 -7.806 6.499 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -6.231 -7.588 5.027 1.00 0.00 H new ATOM 0 HG LEU A 56 -7.358 -7.043 7.784 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -6.931 -4.662 7.319 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -5.420 -5.598 7.406 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -6.075 -5.111 5.825 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -9.013 -5.721 6.524 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -8.238 -6.212 4.999 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -9.022 -7.431 6.032 1.00 0.00 H new ATOM 869 N SER A 57 -6.286 -9.857 3.945 1.00 0.00 N ATOM 870 CA SER A 57 -5.665 -10.659 2.897 1.00 0.00 C ATOM 871 C SER A 57 -4.369 -10.013 2.415 1.00 0.00 C ATOM 872 O SER A 57 -4.334 -8.822 2.108 1.00 0.00 O ATOM 873 CB SER A 57 -6.629 -10.833 1.721 1.00 0.00 C ATOM 874 OG SER A 57 -7.551 -11.881 1.969 1.00 0.00 O ATOM 0 H SER A 57 -6.814 -9.054 3.605 1.00 0.00 H new ATOM 0 HA SER A 57 -5.430 -11.638 3.314 1.00 0.00 H new ATOM 0 HB2 SER A 57 -7.169 -9.902 1.549 1.00 0.00 H new ATOM 0 HB3 SER A 57 -6.065 -11.047 0.813 1.00 0.00 H new ATOM 0 HG SER A 57 -8.157 -11.971 1.204 1.00 0.00 H new ATOM 880 N GLN A 58 -3.307 -10.810 2.353 1.00 0.00 N ATOM 881 CA GLN A 58 -2.008 -10.317 1.910 1.00 0.00 C ATOM 882 C GLN A 58 -2.170 -9.250 0.832 1.00 0.00 C ATOM 883 O GLN A 58 -1.389 -8.300 0.761 1.00 0.00 O ATOM 884 CB GLN A 58 -1.155 -11.470 1.379 1.00 0.00 C ATOM 885 CG GLN A 58 -0.784 -12.491 2.441 1.00 0.00 C ATOM 886 CD GLN A 58 -0.174 -13.749 1.854 1.00 0.00 C ATOM 887 OE1 GLN A 58 1.152 -13.818 1.850 1.00 0.00 O flip ATOM 888 NE2 GLN A 58 -0.887 -14.649 1.410 1.00 0.00 N flip ATOM 0 H GLN A 58 -3.320 -11.799 2.604 1.00 0.00 H new ATOM 0 HA GLN A 58 -1.506 -9.868 2.767 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -1.696 -11.972 0.577 1.00 0.00 H new ATOM 0 HB3 GLN A 58 -0.242 -11.065 0.942 1.00 0.00 H new ATOM 0 HG2 GLN A 58 -0.079 -12.042 3.140 1.00 0.00 H new ATOM 0 HG3 GLN A 58 -1.674 -12.756 3.012 1.00 0.00 H new ATOM 0 HE21 GLN A 58 -1.902 -14.554 1.433 1.00 0.00 H new ATOM 0 HE22 GLN A 58 -0.462 -15.490 1.019 1.00 0.00 H new ATOM 897 N LEU A 59 -3.188 -9.412 -0.006 1.00 0.00 N ATOM 898 CA LEU A 59 -3.453 -8.463 -1.081 1.00 0.00 C ATOM 899 C LEU A 59 -3.778 -7.082 -0.521 1.00 0.00 C ATOM 900 O LEU A 59 -3.211 -6.078 -0.953 1.00 0.00 O ATOM 901 CB LEU A 59 -4.609 -8.958 -1.952 1.00 0.00 C ATOM 902 CG LEU A 59 -5.025 -8.038 -3.101 1.00 0.00 C ATOM 903 CD1 LEU A 59 -3.931 -7.972 -4.155 1.00 0.00 C ATOM 904 CD2 LEU A 59 -6.333 -8.514 -3.717 1.00 0.00 C ATOM 0 H LEU A 59 -3.844 -10.192 0.039 1.00 0.00 H new ATOM 0 HA LEU A 59 -2.554 -8.384 -1.692 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -4.334 -9.926 -2.370 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -5.476 -9.122 -1.312 1.00 0.00 H new ATOM 0 HG LEU A 59 -5.177 -7.035 -2.702 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -4.245 -7.313 -4.964 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -3.016 -7.585 -3.706 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -3.747 -8.971 -4.551 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -6.614 -7.848 -4.533 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -6.207 -9.526 -4.102 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -7.116 -8.509 -2.958 1.00 0.00 H new ATOM 916 N GLN A 60 -4.692 -7.040 0.443 1.00 0.00 N ATOM 917 CA GLN A 60 -5.090 -5.782 1.063 1.00 0.00 C ATOM 918 C GLN A 60 -3.879 -4.888 1.308 1.00 0.00 C ATOM 919 O GLN A 60 -3.830 -3.750 0.841 1.00 0.00 O ATOM 920 CB GLN A 60 -5.818 -6.048 2.382 1.00 0.00 C ATOM 921 CG GLN A 60 -7.167 -6.725 2.207 1.00 0.00 C ATOM 922 CD GLN A 60 -8.178 -5.840 1.504 1.00 0.00 C ATOM 923 OE1 GLN A 60 -7.967 -5.418 0.367 1.00 0.00 O ATOM 924 NE2 GLN A 60 -9.285 -5.554 2.179 1.00 0.00 N ATOM 0 H GLN A 60 -5.170 -7.862 0.811 1.00 0.00 H new ATOM 0 HA GLN A 60 -5.766 -5.267 0.380 1.00 0.00 H new ATOM 0 HB2 GLN A 60 -5.188 -6.672 3.016 1.00 0.00 H new ATOM 0 HB3 GLN A 60 -5.961 -5.103 2.906 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -7.036 -7.645 1.637 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -7.556 -7.009 3.185 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -9.419 -5.925 3.120 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -10.001 -4.963 1.757 1.00 0.00 H new ATOM 933 N VAL A 61 -2.903 -5.410 2.044 1.00 0.00 N ATOM 934 CA VAL A 61 -1.691 -4.660 2.350 1.00 0.00 C ATOM 935 C VAL A 61 -1.023 -4.153 1.078 1.00 0.00 C ATOM 936 O VAL A 61 -0.828 -2.949 0.902 1.00 0.00 O ATOM 937 CB VAL A 61 -0.685 -5.518 3.140 1.00 0.00 C ATOM 938 CG1 VAL A 61 0.634 -4.777 3.305 1.00 0.00 C ATOM 939 CG2 VAL A 61 -1.261 -5.905 4.493 1.00 0.00 C ATOM 0 H VAL A 61 -2.928 -6.350 2.440 1.00 0.00 H new ATOM 0 HA VAL A 61 -1.991 -3.809 2.962 1.00 0.00 H new ATOM 0 HB VAL A 61 -0.494 -6.432 2.578 1.00 0.00 H new ATOM 0 HG11 VAL A 61 1.333 -5.398 3.865 1.00 0.00 H new ATOM 0 HG12 VAL A 61 1.052 -4.556 2.323 1.00 0.00 H new ATOM 0 HG13 VAL A 61 0.463 -3.846 3.845 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -0.536 -6.511 5.037 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -1.483 -5.004 5.065 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -2.177 -6.478 4.348 1.00 0.00 H new ATOM 949 N LYS A 62 -0.672 -5.078 0.191 1.00 0.00 N ATOM 950 CA LYS A 62 -0.026 -4.726 -1.068 1.00 0.00 C ATOM 951 C LYS A 62 -0.752 -3.569 -1.747 1.00 0.00 C ATOM 952 O LYS A 62 -0.185 -2.492 -1.937 1.00 0.00 O ATOM 953 CB LYS A 62 0.011 -5.938 -2.002 1.00 0.00 C ATOM 954 CG LYS A 62 0.796 -5.697 -3.280 1.00 0.00 C ATOM 955 CD LYS A 62 0.803 -6.928 -4.170 1.00 0.00 C ATOM 956 CE LYS A 62 0.942 -6.554 -5.638 1.00 0.00 C ATOM 957 NZ LYS A 62 2.236 -5.873 -5.917 1.00 0.00 N ATOM 0 H LYS A 62 -0.824 -6.078 0.321 1.00 0.00 H new ATOM 0 HA LYS A 62 0.995 -4.413 -0.849 1.00 0.00 H new ATOM 0 HB2 LYS A 62 0.449 -6.783 -1.470 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -1.010 -6.219 -2.260 1.00 0.00 H new ATOM 0 HG2 LYS A 62 0.361 -4.857 -3.822 1.00 0.00 H new ATOM 0 HG3 LYS A 62 1.821 -5.420 -3.032 1.00 0.00 H new ATOM 0 HD2 LYS A 62 1.625 -7.583 -3.881 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -0.119 -7.490 -4.022 1.00 0.00 H new ATOM 0 HE2 LYS A 62 0.865 -7.452 -6.250 1.00 0.00 H new ATOM 0 HE3 LYS A 62 0.118 -5.901 -5.926 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 2.322 -5.695 -6.938 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 2.270 -4.969 -5.404 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 3.022 -6.478 -5.604 1.00 0.00 H new ATOM 971 N THR A 63 -2.010 -3.797 -2.110 1.00 0.00 N ATOM 972 CA THR A 63 -2.813 -2.774 -2.768 1.00 0.00 C ATOM 973 C THR A 63 -2.998 -1.558 -1.868 1.00 0.00 C ATOM 974 O THR A 63 -2.520 -0.466 -2.180 1.00 0.00 O ATOM 975 CB THR A 63 -4.198 -3.318 -3.167 1.00 0.00 C ATOM 976 OG1 THR A 63 -4.055 -4.560 -3.864 1.00 0.00 O ATOM 977 CG2 THR A 63 -4.939 -2.320 -4.045 1.00 0.00 C ATOM 0 H THR A 63 -2.495 -4.682 -1.959 1.00 0.00 H new ATOM 0 HA THR A 63 -2.273 -2.478 -3.668 1.00 0.00 H new ATOM 0 HB THR A 63 -4.777 -3.478 -2.257 1.00 0.00 H new ATOM 0 HG1 THR A 63 -4.940 -4.900 -4.112 1.00 0.00 H new ATOM 0 HG21 THR A 63 -5.914 -2.726 -4.314 1.00 0.00 H new ATOM 0 HG22 THR A 63 -5.073 -1.385 -3.500 1.00 0.00 H new ATOM 0 HG23 THR A 63 -4.362 -2.133 -4.950 1.00 0.00 H new ATOM 985 N TRP A 64 -3.691 -1.752 -0.753 1.00 0.00 N ATOM 986 CA TRP A 64 -3.938 -0.669 0.193 1.00 0.00 C ATOM 987 C TRP A 64 -2.719 0.240 0.308 1.00 0.00 C ATOM 988 O TRP A 64 -2.843 1.465 0.298 1.00 0.00 O ATOM 989 CB TRP A 64 -4.299 -1.236 1.566 1.00 0.00 C ATOM 990 CG TRP A 64 -4.860 -0.210 2.504 1.00 0.00 C ATOM 991 CD1 TRP A 64 -6.131 0.290 2.505 1.00 0.00 C ATOM 992 CD2 TRP A 64 -4.169 0.442 3.574 1.00 0.00 C ATOM 993 NE1 TRP A 64 -6.272 1.214 3.512 1.00 0.00 N ATOM 994 CE2 TRP A 64 -5.083 1.324 4.184 1.00 0.00 C ATOM 995 CE3 TRP A 64 -2.869 0.365 4.080 1.00 0.00 C ATOM 996 CZ2 TRP A 64 -4.735 2.123 5.270 1.00 0.00 C ATOM 997 CZ3 TRP A 64 -2.524 1.158 5.157 1.00 0.00 C ATOM 998 CH2 TRP A 64 -3.454 2.027 5.744 1.00 0.00 C ATOM 0 H TRP A 64 -4.092 -2.649 -0.481 1.00 0.00 H new ATOM 0 HA TRP A 64 -4.775 -0.078 -0.179 1.00 0.00 H new ATOM 0 HB2 TRP A 64 -5.026 -2.039 1.440 1.00 0.00 H new ATOM 0 HB3 TRP A 64 -3.409 -1.679 2.014 1.00 0.00 H new ATOM 0 HD1 TRP A 64 -6.911 0.001 1.816 1.00 0.00 H new ATOM 0 HE1 TRP A 64 -7.124 1.734 3.725 1.00 0.00 H new ATOM 0 HE3 TRP A 64 -2.146 -0.303 3.636 1.00 0.00 H new ATOM 0 HZ2 TRP A 64 -5.450 2.794 5.722 1.00 0.00 H new ATOM 0 HZ3 TRP A 64 -1.521 1.108 5.554 1.00 0.00 H new ATOM 0 HH2 TRP A 64 -3.154 2.633 6.587 1.00 0.00 H new ATOM 1009 N TYR A 65 -1.542 -0.366 0.419 1.00 0.00 N ATOM 1010 CA TYR A 65 -0.301 0.390 0.539 1.00 0.00 C ATOM 1011 C TYR A 65 -0.080 1.272 -0.686 1.00 0.00 C ATOM 1012 O TYR A 65 0.022 2.493 -0.573 1.00 0.00 O ATOM 1013 CB TYR A 65 0.884 -0.561 0.717 1.00 0.00 C ATOM 1014 CG TYR A 65 1.198 -0.873 2.162 1.00 0.00 C ATOM 1015 CD1 TYR A 65 0.205 -1.307 3.032 1.00 0.00 C ATOM 1016 CD2 TYR A 65 2.489 -0.735 2.659 1.00 0.00 C ATOM 1017 CE1 TYR A 65 0.487 -1.593 4.353 1.00 0.00 C ATOM 1018 CE2 TYR A 65 2.780 -1.020 3.979 1.00 0.00 C ATOM 1019 CZ TYR A 65 1.776 -1.448 4.822 1.00 0.00 C ATOM 1020 OH TYR A 65 2.062 -1.733 6.138 1.00 0.00 O ATOM 0 H TYR A 65 -1.421 -1.379 0.428 1.00 0.00 H new ATOM 0 HA TYR A 65 -0.379 1.032 1.417 1.00 0.00 H new ATOM 0 HB2 TYR A 65 0.674 -1.492 0.190 1.00 0.00 H new ATOM 0 HB3 TYR A 65 1.765 -0.122 0.249 1.00 0.00 H new ATOM 0 HD1 TYR A 65 -0.805 -1.423 2.668 1.00 0.00 H new ATOM 0 HD2 TYR A 65 3.278 -0.399 2.002 1.00 0.00 H new ATOM 0 HE1 TYR A 65 -0.297 -1.928 5.015 1.00 0.00 H new ATOM 0 HE2 TYR A 65 3.789 -0.908 4.349 1.00 0.00 H new ATOM 0 HH TYR A 65 1.228 -1.787 6.650 1.00 0.00 H new ATOM 1030 N GLN A 66 -0.009 0.644 -1.855 1.00 0.00 N ATOM 1031 CA GLN A 66 0.200 1.372 -3.101 1.00 0.00 C ATOM 1032 C GLN A 66 -0.614 2.661 -3.121 1.00 0.00 C ATOM 1033 O GLN A 66 -0.060 3.755 -3.223 1.00 0.00 O ATOM 1034 CB GLN A 66 -0.180 0.496 -4.297 1.00 0.00 C ATOM 1035 CG GLN A 66 0.403 0.981 -5.615 1.00 0.00 C ATOM 1036 CD GLN A 66 0.129 0.026 -6.760 1.00 0.00 C ATOM 1037 OE1 GLN A 66 -0.967 0.010 -7.321 1.00 0.00 O ATOM 1038 NE2 GLN A 66 1.126 -0.775 -7.115 1.00 0.00 N ATOM 0 H GLN A 66 -0.093 -0.367 -1.965 1.00 0.00 H new ATOM 0 HA GLN A 66 1.257 1.630 -3.169 1.00 0.00 H new ATOM 0 HB2 GLN A 66 0.159 -0.523 -4.112 1.00 0.00 H new ATOM 0 HB3 GLN A 66 -1.266 0.461 -4.381 1.00 0.00 H new ATOM 0 HG2 GLN A 66 -0.014 1.959 -5.855 1.00 0.00 H new ATOM 0 HG3 GLN A 66 1.480 1.112 -5.506 1.00 0.00 H new ATOM 0 HE21 GLN A 66 2.018 -0.728 -6.622 1.00 0.00 H new ATOM 0 HE22 GLN A 66 1.000 -1.437 -7.880 1.00 0.00 H new ATOM 1047 N ASN A 67 -1.933 2.525 -3.024 1.00 0.00 N ATOM 1048 CA ASN A 67 -2.823 3.679 -3.032 1.00 0.00 C ATOM 1049 C ASN A 67 -2.463 4.652 -1.914 1.00 0.00 C ATOM 1050 O ASN A 67 -2.329 5.855 -2.142 1.00 0.00 O ATOM 1051 CB ASN A 67 -4.278 3.229 -2.882 1.00 0.00 C ATOM 1052 CG ASN A 67 -4.748 2.394 -4.057 1.00 0.00 C ATOM 1053 OD1 ASN A 67 -4.549 2.763 -5.215 1.00 0.00 O ATOM 1054 ND2 ASN A 67 -5.377 1.261 -3.764 1.00 0.00 N ATOM 0 H ASN A 67 -2.408 1.627 -2.939 1.00 0.00 H new ATOM 0 HA ASN A 67 -2.704 4.190 -3.987 1.00 0.00 H new ATOM 0 HB2 ASN A 67 -4.384 2.652 -1.964 1.00 0.00 H new ATOM 0 HB3 ASN A 67 -4.918 4.106 -2.783 1.00 0.00 H new ATOM 0 HD21 ASN A 67 -5.717 0.658 -4.513 1.00 0.00 H new ATOM 0 HD22 ASN A 67 -5.520 0.994 -2.790 1.00 0.00 H new ATOM 1061 N ARG A 68 -2.306 4.124 -0.704 1.00 0.00 N ATOM 1062 CA ARG A 68 -1.962 4.945 0.450 1.00 0.00 C ATOM 1063 C ARG A 68 -0.801 5.881 0.124 1.00 0.00 C ATOM 1064 O ARG A 68 -0.845 7.071 0.433 1.00 0.00 O ATOM 1065 CB ARG A 68 -1.597 4.059 1.642 1.00 0.00 C ATOM 1066 CG ARG A 68 -2.805 3.485 2.366 1.00 0.00 C ATOM 1067 CD ARG A 68 -3.488 4.535 3.228 1.00 0.00 C ATOM 1068 NE ARG A 68 -2.626 5.000 4.311 1.00 0.00 N ATOM 1069 CZ ARG A 68 -2.920 6.033 5.094 1.00 0.00 C ATOM 1070 NH1 ARG A 68 -4.049 6.704 4.914 1.00 0.00 N ATOM 1071 NH2 ARG A 68 -2.084 6.395 6.058 1.00 0.00 N ATOM 0 H ARG A 68 -2.412 3.131 -0.498 1.00 0.00 H new ATOM 0 HA ARG A 68 -2.832 5.549 0.708 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -0.968 3.239 1.295 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -1.003 4.640 2.348 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -3.515 3.093 1.638 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -2.493 2.647 2.990 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -3.777 5.382 2.606 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -4.404 4.120 3.647 1.00 0.00 H new ATOM 0 HE ARG A 68 -1.750 4.505 4.476 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -4.694 6.428 4.174 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -4.273 7.496 5.516 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -1.215 5.881 6.199 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -2.310 7.188 6.658 1.00 0.00 H new