USER MOD reduce.3.24.130724 H: found=0, std=0, add=385, rem=0, adj=11 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= -1.02 USER MOD Single : A 28 GLN : amide:sc= -11.4! C(o=-11!,f=-22!) USER MOD Single : A 30 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 34 LYS NZ :NH3+ 158:sc= -0.0661 (180deg=-0.416) USER MOD Single : A 38 LYS NZ :NH3+ 161:sc= -0.0127 (180deg=-0.18) USER MOD Single : A 39 GLN : amide:sc= -0.0414 X(o=-0.041,f=0) USER MOD Single : A 40 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0973) 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= -0.755 K(o=-0.76,f=-0.17) USER MOD Single : A 60 GLN : amide:sc= -1.98 K(o=-2,f=-7.7!) 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 165:sc= -1.18 USER MOD Single : A 66 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 67 ASN : amide:sc= -1.05 K(o=-1,f=-2.3!) USER MOD ----------------------------------------------------------------- ATOM 319 N PHE A 24 -12.682 -1.019 4.831 1.00 0.00 N ATOM 320 CA PHE A 24 -11.892 -1.438 5.983 1.00 0.00 C ATOM 321 C PHE A 24 -12.550 -0.990 7.285 1.00 0.00 C ATOM 322 O PHE A 24 -12.997 0.151 7.408 1.00 0.00 O ATOM 323 CB PHE A 24 -10.476 -0.868 5.891 1.00 0.00 C ATOM 324 CG PHE A 24 -9.664 -1.457 4.773 1.00 0.00 C ATOM 325 CD1 PHE A 24 -8.964 -2.640 4.956 1.00 0.00 C ATOM 326 CD2 PHE A 24 -9.600 -0.830 3.540 1.00 0.00 C ATOM 327 CE1 PHE A 24 -8.216 -3.184 3.929 1.00 0.00 C ATOM 328 CE2 PHE A 24 -8.854 -1.369 2.509 1.00 0.00 C ATOM 329 CZ PHE A 24 -8.161 -2.548 2.704 1.00 0.00 C ATOM 0 HA PHE A 24 -11.838 -2.527 5.979 1.00 0.00 H new ATOM 0 HB2 PHE A 24 -10.536 0.212 5.756 1.00 0.00 H new ATOM 0 HB3 PHE A 24 -9.960 -1.043 6.835 1.00 0.00 H new ATOM 0 HD1 PHE A 24 -9.004 -3.142 5.912 1.00 0.00 H new ATOM 0 HD2 PHE A 24 -10.140 0.092 3.382 1.00 0.00 H new ATOM 0 HE1 PHE A 24 -7.675 -4.106 4.084 1.00 0.00 H new ATOM 0 HE2 PHE A 24 -8.813 -0.869 1.552 1.00 0.00 H new ATOM 0 HZ PHE A 24 -7.577 -2.972 1.900 1.00 0.00 H new ATOM 339 N THR A 25 -12.606 -1.896 8.256 1.00 0.00 N ATOM 340 CA THR A 25 -13.209 -1.596 9.548 1.00 0.00 C ATOM 341 C THR A 25 -12.270 -0.765 10.414 1.00 0.00 C ATOM 342 O THR A 25 -11.051 -0.919 10.347 1.00 0.00 O ATOM 343 CB THR A 25 -13.583 -2.884 10.306 1.00 0.00 C ATOM 344 OG1 THR A 25 -12.398 -3.605 10.660 1.00 0.00 O ATOM 345 CG2 THR A 25 -14.486 -3.768 9.459 1.00 0.00 C ATOM 0 H THR A 25 -12.241 -2.845 8.172 1.00 0.00 H new ATOM 0 HA THR A 25 -14.115 -1.024 9.348 1.00 0.00 H new ATOM 0 HB THR A 25 -14.122 -2.603 11.211 1.00 0.00 H new ATOM 0 HG1 THR A 25 -12.644 -4.421 11.143 1.00 0.00 H new ATOM 0 HG21 THR A 25 -14.737 -4.671 10.015 1.00 0.00 H new ATOM 0 HG22 THR A 25 -15.400 -3.227 9.215 1.00 0.00 H new ATOM 0 HG23 THR A 25 -13.969 -4.040 8.539 1.00 0.00 H new ATOM 353 N GLU A 26 -12.845 0.116 11.226 1.00 0.00 N ATOM 354 CA GLU A 26 -12.057 0.971 12.106 1.00 0.00 C ATOM 355 C GLU A 26 -10.861 0.213 12.673 1.00 0.00 C ATOM 356 O GLU A 26 -9.746 0.735 12.720 1.00 0.00 O ATOM 357 CB GLU A 26 -12.925 1.505 13.247 1.00 0.00 C ATOM 358 CG GLU A 26 -13.880 2.608 12.822 1.00 0.00 C ATOM 359 CD GLU A 26 -15.066 2.746 13.756 1.00 0.00 C ATOM 360 OE1 GLU A 26 -15.963 1.879 13.709 1.00 0.00 O ATOM 361 OE2 GLU A 26 -15.095 3.721 14.536 1.00 0.00 O ATOM 0 H GLU A 26 -13.853 0.256 11.293 1.00 0.00 H new ATOM 0 HA GLU A 26 -11.687 1.811 11.518 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -13.500 0.682 13.670 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -12.278 1.882 14.039 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -13.341 3.555 12.783 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -14.239 2.404 11.813 1.00 0.00 H new ATOM 368 N LEU A 27 -11.100 -1.020 13.104 1.00 0.00 N ATOM 369 CA LEU A 27 -10.043 -1.852 13.669 1.00 0.00 C ATOM 370 C LEU A 27 -8.970 -2.153 12.628 1.00 0.00 C ATOM 371 O LEU A 27 -7.785 -1.916 12.858 1.00 0.00 O ATOM 372 CB LEU A 27 -10.628 -3.159 14.208 1.00 0.00 C ATOM 373 CG LEU A 27 -9.705 -3.991 15.098 1.00 0.00 C ATOM 374 CD1 LEU A 27 -10.516 -4.830 16.073 1.00 0.00 C ATOM 375 CD2 LEU A 27 -8.804 -4.878 14.251 1.00 0.00 C ATOM 0 H LEU A 27 -12.017 -1.466 13.073 1.00 0.00 H new ATOM 0 HA LEU A 27 -9.582 -1.302 14.489 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -11.530 -2.924 14.773 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -10.934 -3.773 13.361 1.00 0.00 H new ATOM 0 HG LEU A 27 -9.076 -3.310 15.672 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -9.841 -5.415 16.698 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -11.118 -4.175 16.703 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -11.171 -5.502 15.518 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -8.154 -5.463 14.902 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -9.416 -5.550 13.650 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -8.196 -4.257 13.594 1.00 0.00 H new ATOM 387 N GLN A 28 -9.396 -2.673 11.481 1.00 0.00 N ATOM 388 CA GLN A 28 -8.471 -3.005 10.403 1.00 0.00 C ATOM 389 C GLN A 28 -7.641 -1.789 10.006 1.00 0.00 C ATOM 390 O GLN A 28 -6.426 -1.885 9.828 1.00 0.00 O ATOM 391 CB GLN A 28 -9.238 -3.533 9.190 1.00 0.00 C ATOM 392 CG GLN A 28 -10.034 -4.796 9.475 1.00 0.00 C ATOM 393 CD GLN A 28 -9.195 -6.053 9.357 1.00 0.00 C ATOM 394 OE1 GLN A 28 -7.968 -5.989 9.269 1.00 0.00 O ATOM 395 NE2 GLN A 28 -9.853 -7.207 9.354 1.00 0.00 N ATOM 0 H GLN A 28 -10.375 -2.873 11.274 1.00 0.00 H new ATOM 0 HA GLN A 28 -7.796 -3.781 10.762 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -9.917 -2.758 8.835 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -8.533 -3.733 8.383 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -10.454 -4.737 10.479 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -10.873 -4.857 8.781 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -10.870 -7.214 9.429 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -9.341 -8.086 9.277 1.00 0.00 H new ATOM 404 N LEU A 29 -8.303 -0.646 9.867 1.00 0.00 N ATOM 405 CA LEU A 29 -7.626 0.590 9.490 1.00 0.00 C ATOM 406 C LEU A 29 -6.616 1.005 10.555 1.00 0.00 C ATOM 407 O LEU A 29 -5.518 1.461 10.239 1.00 0.00 O ATOM 408 CB LEU A 29 -8.647 1.709 9.275 1.00 0.00 C ATOM 409 CG LEU A 29 -9.407 1.678 7.949 1.00 0.00 C ATOM 410 CD1 LEU A 29 -10.574 2.653 7.980 1.00 0.00 C ATOM 411 CD2 LEU A 29 -8.473 1.998 6.791 1.00 0.00 C ATOM 0 H LEU A 29 -9.308 -0.549 10.010 1.00 0.00 H new ATOM 0 HA LEU A 29 -7.090 0.412 8.558 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -9.373 1.673 10.088 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -8.130 2.665 9.352 1.00 0.00 H new ATOM 0 HG LEU A 29 -9.803 0.673 7.803 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -11.103 2.617 7.028 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -11.256 2.379 8.785 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -10.200 3.663 8.150 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -9.031 1.971 5.855 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -8.047 2.991 6.931 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -7.671 1.261 6.756 1.00 0.00 H new ATOM 423 N MET A 30 -6.996 0.840 11.818 1.00 0.00 N ATOM 424 CA MET A 30 -6.121 1.195 12.930 1.00 0.00 C ATOM 425 C MET A 30 -4.799 0.440 12.844 1.00 0.00 C ATOM 426 O MET A 30 -3.740 0.985 13.154 1.00 0.00 O ATOM 427 CB MET A 30 -6.808 0.892 14.263 1.00 0.00 C ATOM 428 CG MET A 30 -5.913 1.114 15.472 1.00 0.00 C ATOM 429 SD MET A 30 -6.839 1.591 16.944 1.00 0.00 S ATOM 430 CE MET A 30 -7.191 -0.014 17.658 1.00 0.00 C ATOM 0 H MET A 30 -7.902 0.464 12.097 1.00 0.00 H new ATOM 0 HA MET A 30 -5.914 2.263 12.870 1.00 0.00 H new ATOM 0 HB2 MET A 30 -7.694 1.520 14.357 1.00 0.00 H new ATOM 0 HB3 MET A 30 -7.150 -0.143 14.259 1.00 0.00 H new ATOM 0 HG2 MET A 30 -5.355 0.201 15.679 1.00 0.00 H new ATOM 0 HG3 MET A 30 -5.182 1.889 15.241 1.00 0.00 H new ATOM 0 HE1 MET A 30 -7.761 0.114 18.578 1.00 0.00 H new ATOM 0 HE2 MET A 30 -7.771 -0.607 16.951 1.00 0.00 H new ATOM 0 HE3 MET A 30 -6.255 -0.527 17.879 1.00 0.00 H new ATOM 440 N GLY A 31 -4.867 -0.819 12.420 1.00 0.00 N ATOM 441 CA GLY A 31 -3.668 -1.628 12.302 1.00 0.00 C ATOM 442 C GLY A 31 -2.909 -1.354 11.018 1.00 0.00 C ATOM 443 O GLY A 31 -1.700 -1.118 11.041 1.00 0.00 O ATOM 0 H GLY A 31 -5.731 -1.293 12.156 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -3.017 -1.434 13.154 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -3.939 -2.683 12.342 1.00 0.00 H new ATOM 447 N LEU A 32 -3.618 -1.387 9.895 1.00 0.00 N ATOM 448 CA LEU A 32 -3.003 -1.143 8.595 1.00 0.00 C ATOM 449 C LEU A 32 -2.254 0.186 8.588 1.00 0.00 C ATOM 450 O LEU A 32 -1.184 0.303 7.993 1.00 0.00 O ATOM 451 CB LEU A 32 -4.068 -1.147 7.497 1.00 0.00 C ATOM 452 CG LEU A 32 -4.497 -2.522 6.983 1.00 0.00 C ATOM 453 CD1 LEU A 32 -5.737 -2.403 6.111 1.00 0.00 C ATOM 454 CD2 LEU A 32 -3.362 -3.182 6.213 1.00 0.00 C ATOM 0 H LEU A 32 -4.619 -1.580 9.858 1.00 0.00 H new ATOM 0 HA LEU A 32 -2.288 -1.943 8.402 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -4.951 -0.630 7.873 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -3.694 -0.566 6.654 1.00 0.00 H new ATOM 0 HG LEU A 32 -4.740 -3.149 7.841 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -6.027 -3.391 5.754 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -6.552 -1.974 6.694 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -5.522 -1.759 5.259 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -3.685 -4.159 5.855 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -3.087 -2.557 5.363 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -2.500 -3.303 6.869 1.00 0.00 H new ATOM 466 N GLU A 33 -2.825 1.185 9.255 1.00 0.00 N ATOM 467 CA GLU A 33 -2.210 2.505 9.326 1.00 0.00 C ATOM 468 C GLU A 33 -0.999 2.492 10.255 1.00 0.00 C ATOM 469 O GLU A 33 -0.005 3.174 10.008 1.00 0.00 O ATOM 470 CB GLU A 33 -3.227 3.540 9.811 1.00 0.00 C ATOM 471 CG GLU A 33 -4.310 3.853 8.793 1.00 0.00 C ATOM 472 CD GLU A 33 -5.210 4.993 9.229 1.00 0.00 C ATOM 473 OE1 GLU A 33 -5.406 5.158 10.451 1.00 0.00 O ATOM 474 OE2 GLU A 33 -5.717 5.719 8.349 1.00 0.00 O ATOM 0 H GLU A 33 -3.711 1.105 9.753 1.00 0.00 H new ATOM 0 HA GLU A 33 -1.875 2.776 8.325 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -3.695 3.176 10.726 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -2.702 4.461 10.065 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -3.845 4.106 7.840 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -4.915 2.962 8.626 1.00 0.00 H new ATOM 481 N LYS A 34 -1.090 1.710 11.326 1.00 0.00 N ATOM 482 CA LYS A 34 -0.004 1.605 12.292 1.00 0.00 C ATOM 483 C LYS A 34 1.217 0.937 11.668 1.00 0.00 C ATOM 484 O LYS A 34 2.356 1.274 11.995 1.00 0.00 O ATOM 485 CB LYS A 34 -0.460 0.814 13.520 1.00 0.00 C ATOM 486 CG LYS A 34 0.263 1.203 14.798 1.00 0.00 C ATOM 487 CD LYS A 34 -0.333 2.457 15.416 1.00 0.00 C ATOM 488 CE LYS A 34 -1.571 2.138 16.240 1.00 0.00 C ATOM 489 NZ LYS A 34 -1.240 1.341 17.453 1.00 0.00 N ATOM 0 H LYS A 34 -1.906 1.139 11.546 1.00 0.00 H new ATOM 0 HA LYS A 34 0.273 2.613 12.600 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -1.531 0.961 13.659 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -0.306 -0.249 13.335 1.00 0.00 H new ATOM 0 HG2 LYS A 34 0.207 0.382 15.513 1.00 0.00 H new ATOM 0 HG3 LYS A 34 1.319 1.368 14.584 1.00 0.00 H new ATOM 0 HD2 LYS A 34 0.411 2.941 16.048 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -0.591 3.165 14.628 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -2.058 3.067 16.537 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -2.283 1.587 15.626 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -1.994 1.455 18.160 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -1.156 0.337 17.196 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -0.339 1.673 17.851 1.00 0.00 H new ATOM 503 N ARG A 35 0.972 -0.011 10.769 1.00 0.00 N ATOM 504 CA ARG A 35 2.052 -0.726 10.100 1.00 0.00 C ATOM 505 C ARG A 35 2.637 0.111 8.966 1.00 0.00 C ATOM 506 O ARG A 35 3.855 0.198 8.809 1.00 0.00 O ATOM 507 CB ARG A 35 1.546 -2.062 9.554 1.00 0.00 C ATOM 508 CG ARG A 35 1.503 -3.169 10.595 1.00 0.00 C ATOM 509 CD ARG A 35 2.889 -3.474 11.141 1.00 0.00 C ATOM 510 NE ARG A 35 3.014 -4.864 11.571 1.00 0.00 N ATOM 511 CZ ARG A 35 4.153 -5.403 11.992 1.00 0.00 C ATOM 512 NH1 ARG A 35 5.259 -4.673 12.039 1.00 0.00 N ATOM 513 NH2 ARG A 35 4.187 -6.675 12.367 1.00 0.00 N ATOM 0 H ARG A 35 0.036 -0.301 10.487 1.00 0.00 H new ATOM 0 HA ARG A 35 2.838 -0.915 10.832 1.00 0.00 H new ATOM 0 HB2 ARG A 35 0.546 -1.922 9.144 1.00 0.00 H new ATOM 0 HB3 ARG A 35 2.188 -2.374 8.730 1.00 0.00 H new ATOM 0 HG2 ARG A 35 0.845 -2.875 11.413 1.00 0.00 H new ATOM 0 HG3 ARG A 35 1.079 -4.070 10.152 1.00 0.00 H new ATOM 0 HD2 ARG A 35 3.635 -3.263 10.375 1.00 0.00 H new ATOM 0 HD3 ARG A 35 3.101 -2.814 11.982 1.00 0.00 H new ATOM 0 HE ARG A 35 2.182 -5.453 11.547 1.00 0.00 H new ATOM 0 HH11 ARG A 35 5.237 -3.695 11.751 1.00 0.00 H new ATOM 0 HH12 ARG A 35 6.132 -5.090 12.363 1.00 0.00 H new ATOM 0 HH21 ARG A 35 3.338 -7.240 12.332 1.00 0.00 H new ATOM 0 HH22 ARG A 35 5.062 -7.088 12.690 1.00 0.00 H new ATOM 527 N PHE A 36 1.761 0.723 8.176 1.00 0.00 N ATOM 528 CA PHE A 36 2.190 1.551 7.055 1.00 0.00 C ATOM 529 C PHE A 36 2.957 2.776 7.546 1.00 0.00 C ATOM 530 O PHE A 36 4.058 3.060 7.076 1.00 0.00 O ATOM 531 CB PHE A 36 0.981 1.991 6.227 1.00 0.00 C ATOM 532 CG PHE A 36 1.351 2.724 4.969 1.00 0.00 C ATOM 533 CD1 PHE A 36 1.995 3.950 5.030 1.00 0.00 C ATOM 534 CD2 PHE A 36 1.056 2.188 3.726 1.00 0.00 C ATOM 535 CE1 PHE A 36 2.336 4.627 3.874 1.00 0.00 C ATOM 536 CE2 PHE A 36 1.395 2.860 2.567 1.00 0.00 C ATOM 537 CZ PHE A 36 2.037 4.081 2.641 1.00 0.00 C ATOM 0 H PHE A 36 0.749 0.661 8.291 1.00 0.00 H new ATOM 0 HA PHE A 36 2.854 0.955 6.428 1.00 0.00 H new ATOM 0 HB2 PHE A 36 0.390 1.113 5.966 1.00 0.00 H new ATOM 0 HB3 PHE A 36 0.346 2.632 6.838 1.00 0.00 H new ATOM 0 HD1 PHE A 36 2.233 4.381 5.991 1.00 0.00 H new ATOM 0 HD2 PHE A 36 0.555 1.233 3.662 1.00 0.00 H new ATOM 0 HE1 PHE A 36 2.836 5.582 3.935 1.00 0.00 H new ATOM 0 HE2 PHE A 36 1.158 2.431 1.604 1.00 0.00 H new ATOM 0 HZ PHE A 36 2.305 4.607 1.737 1.00 0.00 H new ATOM 547 N GLU A 37 2.366 3.496 8.494 1.00 0.00 N ATOM 548 CA GLU A 37 2.993 4.691 9.047 1.00 0.00 C ATOM 549 C GLU A 37 4.400 4.383 9.551 1.00 0.00 C ATOM 550 O GLU A 37 5.349 5.113 9.263 1.00 0.00 O ATOM 551 CB GLU A 37 2.144 5.259 10.186 1.00 0.00 C ATOM 552 CG GLU A 37 2.388 4.580 11.524 1.00 0.00 C ATOM 553 CD GLU A 37 1.506 5.132 12.627 1.00 0.00 C ATOM 554 OE1 GLU A 37 0.502 5.801 12.307 1.00 0.00 O ATOM 555 OE2 GLU A 37 1.821 4.893 13.812 1.00 0.00 O ATOM 0 H GLU A 37 1.455 3.273 8.895 1.00 0.00 H new ATOM 0 HA GLU A 37 3.065 5.434 8.252 1.00 0.00 H new ATOM 0 HB2 GLU A 37 2.351 6.325 10.286 1.00 0.00 H new ATOM 0 HB3 GLU A 37 1.090 5.162 9.926 1.00 0.00 H new ATOM 0 HG2 GLU A 37 2.209 3.510 11.422 1.00 0.00 H new ATOM 0 HG3 GLU A 37 3.434 4.703 11.804 1.00 0.00 H new ATOM 562 N LYS A 38 4.527 3.297 10.306 1.00 0.00 N ATOM 563 CA LYS A 38 5.816 2.890 10.851 1.00 0.00 C ATOM 564 C LYS A 38 6.788 2.524 9.734 1.00 0.00 C ATOM 565 O LYS A 38 7.875 3.092 9.635 1.00 0.00 O ATOM 566 CB LYS A 38 5.640 1.701 11.798 1.00 0.00 C ATOM 567 CG LYS A 38 5.134 2.090 13.176 1.00 0.00 C ATOM 568 CD LYS A 38 5.473 1.033 14.214 1.00 0.00 C ATOM 569 CE LYS A 38 6.863 1.246 14.793 1.00 0.00 C ATOM 570 NZ LYS A 38 6.916 2.436 15.687 1.00 0.00 N ATOM 0 H LYS A 38 3.752 2.682 10.554 1.00 0.00 H new ATOM 0 HA LYS A 38 6.229 3.732 11.407 1.00 0.00 H new ATOM 0 HB2 LYS A 38 4.943 0.992 11.351 1.00 0.00 H new ATOM 0 HB3 LYS A 38 6.595 1.186 11.903 1.00 0.00 H new ATOM 0 HG2 LYS A 38 5.573 3.044 13.470 1.00 0.00 H new ATOM 0 HG3 LYS A 38 4.054 2.233 13.141 1.00 0.00 H new ATOM 0 HD2 LYS A 38 4.736 1.060 15.016 1.00 0.00 H new ATOM 0 HD3 LYS A 38 5.414 0.044 13.760 1.00 0.00 H new ATOM 0 HE2 LYS A 38 7.164 0.359 15.351 1.00 0.00 H new ATOM 0 HE3 LYS A 38 7.579 1.370 13.981 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 7.753 2.372 16.302 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 6.975 3.300 15.111 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 6.058 2.468 16.273 1.00 0.00 H new ATOM 584 N GLN A 39 6.388 1.574 8.895 1.00 0.00 N ATOM 585 CA GLN A 39 7.224 1.134 7.785 1.00 0.00 C ATOM 586 C GLN A 39 6.502 1.316 6.454 1.00 0.00 C ATOM 587 O GLN A 39 5.531 0.619 6.161 1.00 0.00 O ATOM 588 CB GLN A 39 7.620 -0.333 7.967 1.00 0.00 C ATOM 589 CG GLN A 39 8.969 -0.679 7.356 1.00 0.00 C ATOM 590 CD GLN A 39 9.466 -2.047 7.778 1.00 0.00 C ATOM 591 OE1 GLN A 39 10.576 -2.186 8.291 1.00 0.00 O ATOM 592 NE2 GLN A 39 8.644 -3.068 7.563 1.00 0.00 N ATOM 0 H GLN A 39 5.490 1.094 8.963 1.00 0.00 H new ATOM 0 HA GLN A 39 8.125 1.748 7.776 1.00 0.00 H new ATOM 0 HB2 GLN A 39 7.642 -0.565 9.032 1.00 0.00 H new ATOM 0 HB3 GLN A 39 6.854 -0.966 7.519 1.00 0.00 H new ATOM 0 HG2 GLN A 39 8.891 -0.644 6.269 1.00 0.00 H new ATOM 0 HG3 GLN A 39 9.700 0.075 7.648 1.00 0.00 H new ATOM 0 HE21 GLN A 39 7.732 -2.907 7.135 1.00 0.00 H new ATOM 0 HE22 GLN A 39 8.924 -4.013 7.826 1.00 0.00 H new ATOM 601 N LYS A 40 6.982 2.260 5.651 1.00 0.00 N ATOM 602 CA LYS A 40 6.384 2.535 4.350 1.00 0.00 C ATOM 603 C LYS A 40 6.025 1.238 3.631 1.00 0.00 C ATOM 604 O LYS A 40 4.954 1.125 3.034 1.00 0.00 O ATOM 605 CB LYS A 40 7.344 3.359 3.488 1.00 0.00 C ATOM 606 CG LYS A 40 7.581 4.764 4.015 1.00 0.00 C ATOM 607 CD LYS A 40 6.322 5.610 3.930 1.00 0.00 C ATOM 608 CE LYS A 40 6.579 7.038 4.385 1.00 0.00 C ATOM 609 NZ LYS A 40 6.957 7.103 5.824 1.00 0.00 N ATOM 0 H LYS A 40 7.784 2.848 5.879 1.00 0.00 H new ATOM 0 HA LYS A 40 5.470 3.106 4.512 1.00 0.00 H new ATOM 0 HB2 LYS A 40 8.299 2.838 3.424 1.00 0.00 H new ATOM 0 HB3 LYS A 40 6.946 3.422 2.475 1.00 0.00 H new ATOM 0 HG2 LYS A 40 7.917 4.713 5.051 1.00 0.00 H new ATOM 0 HG3 LYS A 40 8.379 5.238 3.443 1.00 0.00 H new ATOM 0 HD2 LYS A 40 5.954 5.615 2.904 1.00 0.00 H new ATOM 0 HD3 LYS A 40 5.541 5.165 4.547 1.00 0.00 H new ATOM 0 HE2 LYS A 40 7.375 7.474 3.781 1.00 0.00 H new ATOM 0 HE3 LYS A 40 5.685 7.639 4.217 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 6.975 8.096 6.134 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 6.261 6.576 6.390 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 7.899 6.683 5.955 1.00 0.00 H new ATOM 623 N TYR A 41 6.925 0.263 3.694 1.00 0.00 N ATOM 624 CA TYR A 41 6.702 -1.025 3.049 1.00 0.00 C ATOM 625 C TYR A 41 6.891 -2.170 4.039 1.00 0.00 C ATOM 626 O TYR A 41 7.565 -2.020 5.059 1.00 0.00 O ATOM 627 CB TYR A 41 7.655 -1.197 1.865 1.00 0.00 C ATOM 628 CG TYR A 41 7.729 0.016 0.965 1.00 0.00 C ATOM 629 CD1 TYR A 41 8.552 1.091 1.281 1.00 0.00 C ATOM 630 CD2 TYR A 41 6.977 0.088 -0.201 1.00 0.00 C ATOM 631 CE1 TYR A 41 8.622 2.201 0.463 1.00 0.00 C ATOM 632 CE2 TYR A 41 7.042 1.194 -1.026 1.00 0.00 C ATOM 633 CZ TYR A 41 7.865 2.248 -0.689 1.00 0.00 C ATOM 634 OH TYR A 41 7.934 3.352 -1.508 1.00 0.00 O ATOM 0 H TYR A 41 7.816 0.340 4.185 1.00 0.00 H new ATOM 0 HA TYR A 41 5.674 -1.048 2.686 1.00 0.00 H new ATOM 0 HB2 TYR A 41 8.653 -1.420 2.242 1.00 0.00 H new ATOM 0 HB3 TYR A 41 7.337 -2.057 1.276 1.00 0.00 H new ATOM 0 HD1 TYR A 41 9.147 1.057 2.182 1.00 0.00 H new ATOM 0 HD2 TYR A 41 6.330 -0.735 -0.467 1.00 0.00 H new ATOM 0 HE1 TYR A 41 9.266 3.028 0.724 1.00 0.00 H new ATOM 0 HE2 TYR A 41 6.452 1.233 -1.930 1.00 0.00 H new ATOM 0 HH TYR A 41 7.341 3.226 -2.278 1.00 0.00 H new ATOM 644 N LEU A 42 6.291 -3.315 3.730 1.00 0.00 N ATOM 645 CA LEU A 42 6.393 -4.488 4.591 1.00 0.00 C ATOM 646 C LEU A 42 7.144 -5.615 3.889 1.00 0.00 C ATOM 647 O LEU A 42 7.057 -5.769 2.671 1.00 0.00 O ATOM 648 CB LEU A 42 4.999 -4.967 5.000 1.00 0.00 C ATOM 649 CG LEU A 42 4.182 -4.000 5.858 1.00 0.00 C ATOM 650 CD1 LEU A 42 2.721 -4.420 5.894 1.00 0.00 C ATOM 651 CD2 LEU A 42 4.752 -3.925 7.267 1.00 0.00 C ATOM 0 H LEU A 42 5.729 -3.456 2.890 1.00 0.00 H new ATOM 0 HA LEU A 42 6.951 -4.205 5.484 1.00 0.00 H new ATOM 0 HB2 LEU A 42 4.432 -5.186 4.095 1.00 0.00 H new ATOM 0 HB3 LEU A 42 5.104 -5.905 5.545 1.00 0.00 H new ATOM 0 HG LEU A 42 4.242 -3.008 5.410 1.00 0.00 H new ATOM 0 HD11 LEU A 42 2.156 -3.720 6.509 1.00 0.00 H new ATOM 0 HD12 LEU A 42 2.318 -4.421 4.881 1.00 0.00 H new ATOM 0 HD13 LEU A 42 2.641 -5.421 6.317 1.00 0.00 H new ATOM 0 HD21 LEU A 42 4.158 -3.232 7.863 1.00 0.00 H new ATOM 0 HD22 LEU A 42 4.723 -4.914 7.724 1.00 0.00 H new ATOM 0 HD23 LEU A 42 5.783 -3.575 7.224 1.00 0.00 H new ATOM 663 N SER A 43 7.881 -6.402 4.667 1.00 0.00 N ATOM 664 CA SER A 43 8.649 -7.515 4.120 1.00 0.00 C ATOM 665 C SER A 43 7.728 -8.658 3.705 1.00 0.00 C ATOM 666 O SER A 43 6.603 -8.775 4.193 1.00 0.00 O ATOM 667 CB SER A 43 9.668 -8.012 5.147 1.00 0.00 C ATOM 668 OG SER A 43 10.797 -8.584 4.510 1.00 0.00 O ATOM 0 H SER A 43 7.962 -6.290 5.678 1.00 0.00 H new ATOM 0 HA SER A 43 9.179 -7.160 3.236 1.00 0.00 H new ATOM 0 HB2 SER A 43 9.985 -7.183 5.780 1.00 0.00 H new ATOM 0 HB3 SER A 43 9.201 -8.751 5.799 1.00 0.00 H new ATOM 0 HG SER A 43 11.434 -8.892 5.188 1.00 0.00 H new ATOM 674 N THR A 44 8.214 -9.502 2.799 1.00 0.00 N ATOM 675 CA THR A 44 7.436 -10.636 2.316 1.00 0.00 C ATOM 676 C THR A 44 6.697 -11.322 3.459 1.00 0.00 C ATOM 677 O THR A 44 5.470 -11.425 3.463 1.00 0.00 O ATOM 678 CB THR A 44 8.331 -11.668 1.605 1.00 0.00 C ATOM 679 OG1 THR A 44 8.389 -11.383 0.203 1.00 0.00 O ATOM 680 CG2 THR A 44 7.804 -13.079 1.820 1.00 0.00 C ATOM 0 H THR A 44 9.143 -9.421 2.385 1.00 0.00 H new ATOM 0 HA THR A 44 6.711 -10.242 1.603 1.00 0.00 H new ATOM 0 HB THR A 44 9.333 -11.602 2.030 1.00 0.00 H new ATOM 0 HG1 THR A 44 8.961 -12.043 -0.242 1.00 0.00 H new ATOM 0 HG21 THR A 44 8.452 -13.791 1.309 1.00 0.00 H new ATOM 0 HG22 THR A 44 7.789 -13.303 2.887 1.00 0.00 H new ATOM 0 HG23 THR A 44 6.793 -13.155 1.419 1.00 0.00 H new ATOM 688 N PRO A 45 7.458 -11.802 4.454 1.00 0.00 N ATOM 689 CA PRO A 45 6.895 -12.486 5.622 1.00 0.00 C ATOM 690 C PRO A 45 6.128 -11.536 6.536 1.00 0.00 C ATOM 691 O PRO A 45 5.071 -11.885 7.062 1.00 0.00 O ATOM 692 CB PRO A 45 8.130 -13.038 6.339 1.00 0.00 C ATOM 693 CG PRO A 45 9.243 -12.140 5.922 1.00 0.00 C ATOM 694 CD PRO A 45 8.926 -11.714 4.515 1.00 0.00 C ATOM 0 HA PRO A 45 6.173 -13.251 5.338 1.00 0.00 H new ATOM 0 HB2 PRO A 45 7.997 -13.028 7.421 1.00 0.00 H new ATOM 0 HB3 PRO A 45 8.326 -14.071 6.052 1.00 0.00 H new ATOM 0 HG2 PRO A 45 9.317 -11.277 6.584 1.00 0.00 H new ATOM 0 HG3 PRO A 45 10.201 -12.659 5.966 1.00 0.00 H new ATOM 0 HD2 PRO A 45 9.277 -10.702 4.313 1.00 0.00 H new ATOM 0 HD3 PRO A 45 9.398 -12.367 3.781 1.00 0.00 H new ATOM 702 N ASP A 46 6.667 -10.336 6.719 1.00 0.00 N ATOM 703 CA ASP A 46 6.032 -9.335 7.569 1.00 0.00 C ATOM 704 C ASP A 46 4.576 -9.123 7.164 1.00 0.00 C ATOM 705 O ASP A 46 3.659 -9.435 7.923 1.00 0.00 O ATOM 706 CB ASP A 46 6.794 -8.011 7.491 1.00 0.00 C ATOM 707 CG ASP A 46 7.893 -7.914 8.531 1.00 0.00 C ATOM 708 OD1 ASP A 46 7.619 -8.210 9.713 1.00 0.00 O ATOM 709 OD2 ASP A 46 9.026 -7.543 8.163 1.00 0.00 O ATOM 0 H ASP A 46 7.542 -10.032 6.291 1.00 0.00 H new ATOM 0 HA ASP A 46 6.056 -9.699 8.596 1.00 0.00 H new ATOM 0 HB2 ASP A 46 7.228 -7.903 6.497 1.00 0.00 H new ATOM 0 HB3 ASP A 46 6.096 -7.185 7.626 1.00 0.00 H new ATOM 714 N ARG A 47 4.373 -8.589 5.964 1.00 0.00 N ATOM 715 CA ARG A 47 3.030 -8.333 5.459 1.00 0.00 C ATOM 716 C ARG A 47 2.074 -9.450 5.866 1.00 0.00 C ATOM 717 O ARG A 47 0.903 -9.204 6.157 1.00 0.00 O ATOM 718 CB ARG A 47 3.052 -8.195 3.936 1.00 0.00 C ATOM 719 CG ARG A 47 1.669 -8.083 3.314 1.00 0.00 C ATOM 720 CD ARG A 47 1.740 -8.081 1.795 1.00 0.00 C ATOM 721 NE ARG A 47 2.365 -9.294 1.274 1.00 0.00 N ATOM 722 CZ ARG A 47 3.678 -9.449 1.149 1.00 0.00 C ATOM 723 NH1 ARG A 47 4.501 -8.472 1.505 1.00 0.00 N ATOM 724 NH2 ARG A 47 4.171 -10.582 0.667 1.00 0.00 N ATOM 0 H ARG A 47 5.122 -8.325 5.324 1.00 0.00 H new ATOM 0 HA ARG A 47 2.677 -7.399 5.896 1.00 0.00 H new ATOM 0 HB2 ARG A 47 3.634 -7.313 3.668 1.00 0.00 H new ATOM 0 HB3 ARG A 47 3.564 -9.057 3.509 1.00 0.00 H new ATOM 0 HG2 ARG A 47 1.050 -8.915 3.649 1.00 0.00 H new ATOM 0 HG3 ARG A 47 1.187 -7.168 3.658 1.00 0.00 H new ATOM 0 HD2 ARG A 47 0.734 -7.987 1.385 1.00 0.00 H new ATOM 0 HD3 ARG A 47 2.303 -7.210 1.460 1.00 0.00 H new ATOM 0 HE ARG A 47 1.760 -10.064 0.991 1.00 0.00 H new ATOM 0 HH11 ARG A 47 4.126 -7.599 1.876 1.00 0.00 H new ATOM 0 HH12 ARG A 47 5.509 -8.594 1.408 1.00 0.00 H new ATOM 0 HH21 ARG A 47 3.541 -11.336 0.392 1.00 0.00 H new ATOM 0 HH22 ARG A 47 5.180 -10.699 0.572 1.00 0.00 H new ATOM 738 N ILE A 48 2.581 -10.678 5.882 1.00 0.00 N ATOM 739 CA ILE A 48 1.772 -11.833 6.253 1.00 0.00 C ATOM 740 C ILE A 48 1.439 -11.815 7.741 1.00 0.00 C ATOM 741 O ILE A 48 0.271 -11.885 8.127 1.00 0.00 O ATOM 742 CB ILE A 48 2.488 -13.154 5.915 1.00 0.00 C ATOM 743 CG1 ILE A 48 2.878 -13.184 4.436 1.00 0.00 C ATOM 744 CG2 ILE A 48 1.601 -14.341 6.259 1.00 0.00 C ATOM 745 CD1 ILE A 48 3.699 -14.395 4.052 1.00 0.00 C ATOM 0 H ILE A 48 3.548 -10.899 5.643 1.00 0.00 H new ATOM 0 HA ILE A 48 0.850 -11.771 5.675 1.00 0.00 H new ATOM 0 HB ILE A 48 3.397 -13.220 6.512 1.00 0.00 H new ATOM 0 HG12 ILE A 48 1.973 -13.162 3.829 1.00 0.00 H new ATOM 0 HG13 ILE A 48 3.443 -12.282 4.199 1.00 0.00 H new ATOM 0 HG21 ILE A 48 2.121 -15.267 6.014 1.00 0.00 H new ATOM 0 HG22 ILE A 48 1.369 -14.326 7.324 1.00 0.00 H new ATOM 0 HG23 ILE A 48 0.676 -14.282 5.686 1.00 0.00 H new ATOM 0 HD11 ILE A 48 3.939 -14.350 2.990 1.00 0.00 H new ATOM 0 HD12 ILE A 48 4.622 -14.408 4.632 1.00 0.00 H new ATOM 0 HD13 ILE A 48 3.129 -15.301 4.257 1.00 0.00 H new ATOM 757 N ASP A 49 2.471 -11.719 8.572 1.00 0.00 N ATOM 758 CA ASP A 49 2.287 -11.689 10.019 1.00 0.00 C ATOM 759 C ASP A 49 1.147 -10.752 10.402 1.00 0.00 C ATOM 760 O ASP A 49 0.288 -11.101 11.214 1.00 0.00 O ATOM 761 CB ASP A 49 3.579 -11.249 10.709 1.00 0.00 C ATOM 762 CG ASP A 49 3.607 -11.622 12.178 1.00 0.00 C ATOM 763 OD1 ASP A 49 3.294 -12.787 12.499 1.00 0.00 O ATOM 764 OD2 ASP A 49 3.942 -10.749 13.006 1.00 0.00 O ATOM 0 H ASP A 49 3.443 -11.661 8.269 1.00 0.00 H new ATOM 0 HA ASP A 49 2.032 -12.696 10.350 1.00 0.00 H new ATOM 0 HB2 ASP A 49 4.430 -11.706 10.205 1.00 0.00 H new ATOM 0 HB3 ASP A 49 3.691 -10.169 10.609 1.00 0.00 H new ATOM 769 N LEU A 50 1.144 -9.560 9.815 1.00 0.00 N ATOM 770 CA LEU A 50 0.108 -8.572 10.096 1.00 0.00 C ATOM 771 C LEU A 50 -1.256 -9.061 9.619 1.00 0.00 C ATOM 772 O LEU A 50 -2.198 -9.163 10.404 1.00 0.00 O ATOM 773 CB LEU A 50 0.450 -7.242 9.422 1.00 0.00 C ATOM 774 CG LEU A 50 -0.715 -6.271 9.222 1.00 0.00 C ATOM 775 CD1 LEU A 50 -1.077 -5.595 10.535 1.00 0.00 C ATOM 776 CD2 LEU A 50 -0.370 -5.234 8.163 1.00 0.00 C ATOM 0 H LEU A 50 1.847 -9.254 9.142 1.00 0.00 H new ATOM 0 HA LEU A 50 0.063 -8.426 11.175 1.00 0.00 H new ATOM 0 HB2 LEU A 50 1.215 -6.743 10.017 1.00 0.00 H new ATOM 0 HB3 LEU A 50 0.891 -7.454 8.448 1.00 0.00 H new ATOM 0 HG LEU A 50 -1.580 -6.838 8.878 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -1.908 -4.908 10.374 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -1.368 -6.350 11.265 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -0.216 -5.042 10.909 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -1.210 -4.552 8.034 1.00 0.00 H new ATOM 0 HD22 LEU A 50 0.509 -4.671 8.477 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -0.161 -5.735 7.218 1.00 0.00 H new ATOM 788 N ALA A 51 -1.352 -9.363 8.329 1.00 0.00 N ATOM 789 CA ALA A 51 -2.600 -9.846 7.749 1.00 0.00 C ATOM 790 C ALA A 51 -3.221 -10.937 8.614 1.00 0.00 C ATOM 791 O ALA A 51 -4.434 -11.143 8.591 1.00 0.00 O ATOM 792 CB ALA A 51 -2.360 -10.361 6.337 1.00 0.00 C ATOM 0 H ALA A 51 -0.582 -9.282 7.665 1.00 0.00 H new ATOM 0 HA ALA A 51 -3.300 -9.011 7.706 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -3.299 -10.719 5.916 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -1.968 -9.555 5.717 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -1.640 -11.179 6.366 1.00 0.00 H new ATOM 798 N GLU A 52 -2.382 -11.632 9.375 1.00 0.00 N ATOM 799 CA GLU A 52 -2.851 -12.704 10.246 1.00 0.00 C ATOM 800 C GLU A 52 -3.346 -12.145 11.577 1.00 0.00 C ATOM 801 O GLU A 52 -4.238 -12.713 12.208 1.00 0.00 O ATOM 802 CB GLU A 52 -1.733 -13.719 10.490 1.00 0.00 C ATOM 803 CG GLU A 52 -1.699 -14.845 9.471 1.00 0.00 C ATOM 804 CD GLU A 52 -2.755 -15.901 9.733 1.00 0.00 C ATOM 805 OE1 GLU A 52 -3.948 -15.620 9.493 1.00 0.00 O ATOM 806 OE2 GLU A 52 -2.388 -17.009 10.177 1.00 0.00 O ATOM 0 H GLU A 52 -1.375 -11.473 9.406 1.00 0.00 H new ATOM 0 HA GLU A 52 -3.683 -13.204 9.750 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -0.774 -13.201 10.478 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -1.852 -14.145 11.486 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -1.844 -14.431 8.473 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -0.714 -15.311 9.483 1.00 0.00 H new ATOM 813 N SER A 53 -2.760 -11.029 11.998 1.00 0.00 N ATOM 814 CA SER A 53 -3.138 -10.395 13.256 1.00 0.00 C ATOM 815 C SER A 53 -4.545 -9.811 13.169 1.00 0.00 C ATOM 816 O SER A 53 -5.356 -9.977 14.082 1.00 0.00 O ATOM 817 CB SER A 53 -2.138 -9.294 13.617 1.00 0.00 C ATOM 818 OG SER A 53 -2.383 -8.790 14.919 1.00 0.00 O ATOM 0 H SER A 53 -2.022 -10.545 11.487 1.00 0.00 H new ATOM 0 HA SER A 53 -3.127 -11.156 14.036 1.00 0.00 H new ATOM 0 HB2 SER A 53 -1.123 -9.687 13.561 1.00 0.00 H new ATOM 0 HB3 SER A 53 -2.206 -8.484 12.891 1.00 0.00 H new ATOM 0 HG SER A 53 -1.730 -8.089 15.127 1.00 0.00 H new ATOM 824 N LEU A 54 -4.828 -9.128 12.066 1.00 0.00 N ATOM 825 CA LEU A 54 -6.137 -8.518 11.858 1.00 0.00 C ATOM 826 C LEU A 54 -7.054 -9.452 11.075 1.00 0.00 C ATOM 827 O LEU A 54 -8.274 -9.409 11.224 1.00 0.00 O ATOM 828 CB LEU A 54 -5.990 -7.188 11.117 1.00 0.00 C ATOM 829 CG LEU A 54 -4.905 -6.246 11.637 1.00 0.00 C ATOM 830 CD1 LEU A 54 -4.628 -5.142 10.628 1.00 0.00 C ATOM 831 CD2 LEU A 54 -5.310 -5.654 12.979 1.00 0.00 C ATOM 0 H LEU A 54 -4.169 -8.982 11.301 1.00 0.00 H new ATOM 0 HA LEU A 54 -6.585 -8.334 12.835 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -5.786 -7.401 10.068 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -6.946 -6.666 11.156 1.00 0.00 H new ATOM 0 HG LEU A 54 -3.989 -6.821 11.777 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -3.853 -4.481 11.016 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -4.293 -5.583 9.689 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -5.540 -4.570 10.455 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -4.525 -4.986 13.334 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -6.239 -5.095 12.865 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -5.457 -6.457 13.701 1.00 0.00 H new ATOM 843 N GLY A 55 -6.457 -10.298 10.241 1.00 0.00 N ATOM 844 CA GLY A 55 -7.235 -11.232 9.448 1.00 0.00 C ATOM 845 C GLY A 55 -7.482 -10.731 8.039 1.00 0.00 C ATOM 846 O GLY A 55 -8.503 -11.049 7.429 1.00 0.00 O ATOM 0 H GLY A 55 -5.448 -10.353 10.100 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -6.714 -12.188 9.404 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -8.191 -11.412 9.939 1.00 0.00 H new ATOM 850 N LEU A 56 -6.546 -9.943 7.520 1.00 0.00 N ATOM 851 CA LEU A 56 -6.667 -9.395 6.174 1.00 0.00 C ATOM 852 C LEU A 56 -5.903 -10.250 5.167 1.00 0.00 C ATOM 853 O LEU A 56 -5.153 -11.150 5.545 1.00 0.00 O ATOM 854 CB LEU A 56 -6.147 -7.957 6.138 1.00 0.00 C ATOM 855 CG LEU A 56 -6.764 -6.995 7.153 1.00 0.00 C ATOM 856 CD1 LEU A 56 -5.858 -5.792 7.368 1.00 0.00 C ATOM 857 CD2 LEU A 56 -8.145 -6.550 6.695 1.00 0.00 C ATOM 0 H LEU A 56 -5.695 -9.670 8.011 1.00 0.00 H new ATOM 0 HA LEU A 56 -7.722 -9.400 5.900 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -5.069 -7.978 6.296 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -6.315 -7.556 5.139 1.00 0.00 H new ATOM 0 HG LEU A 56 -6.870 -7.519 8.103 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -6.314 -5.118 8.094 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -4.891 -6.127 7.742 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -5.720 -5.267 6.423 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -8.569 -5.866 7.430 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -8.064 -6.045 5.733 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -8.793 -7.421 6.594 1.00 0.00 H new ATOM 869 N SER A 57 -6.099 -9.961 3.885 1.00 0.00 N ATOM 870 CA SER A 57 -5.429 -10.703 2.823 1.00 0.00 C ATOM 871 C SER A 57 -4.188 -9.960 2.339 1.00 0.00 C ATOM 872 O SER A 57 -4.239 -8.761 2.064 1.00 0.00 O ATOM 873 CB SER A 57 -6.387 -10.937 1.653 1.00 0.00 C ATOM 874 OG SER A 57 -7.633 -11.437 2.106 1.00 0.00 O ATOM 0 H SER A 57 -6.716 -9.218 3.556 1.00 0.00 H new ATOM 0 HA SER A 57 -5.118 -11.666 3.227 1.00 0.00 H new ATOM 0 HB2 SER A 57 -6.541 -10.003 1.113 1.00 0.00 H new ATOM 0 HB3 SER A 57 -5.943 -11.642 0.950 1.00 0.00 H new ATOM 0 HG SER A 57 -8.228 -11.576 1.340 1.00 0.00 H new ATOM 880 N GLN A 58 -3.076 -10.680 2.237 1.00 0.00 N ATOM 881 CA GLN A 58 -1.822 -10.089 1.787 1.00 0.00 C ATOM 882 C GLN A 58 -2.074 -9.006 0.743 1.00 0.00 C ATOM 883 O GLN A 58 -1.345 -8.015 0.672 1.00 0.00 O ATOM 884 CB GLN A 58 -0.904 -11.167 1.209 1.00 0.00 C ATOM 885 CG GLN A 58 -0.422 -12.174 2.241 1.00 0.00 C ATOM 886 CD GLN A 58 0.222 -13.393 1.611 1.00 0.00 C ATOM 887 OE1 GLN A 58 -0.455 -14.368 1.283 1.00 0.00 O ATOM 888 NE2 GLN A 58 1.538 -13.344 1.437 1.00 0.00 N ATOM 0 H GLN A 58 -3.018 -11.674 2.460 1.00 0.00 H new ATOM 0 HA GLN A 58 -1.336 -9.631 2.649 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -1.433 -11.696 0.417 1.00 0.00 H new ATOM 0 HB3 GLN A 58 -0.039 -10.688 0.750 1.00 0.00 H new ATOM 0 HG2 GLN A 58 0.295 -11.692 2.906 1.00 0.00 H new ATOM 0 HG3 GLN A 58 -1.265 -12.490 2.856 1.00 0.00 H new ATOM 0 HE21 GLN A 58 2.060 -12.516 1.724 1.00 0.00 H new ATOM 0 HE22 GLN A 58 2.027 -14.135 1.017 1.00 0.00 H new ATOM 897 N LEU A 59 -3.110 -9.201 -0.065 1.00 0.00 N ATOM 898 CA LEU A 59 -3.459 -8.240 -1.106 1.00 0.00 C ATOM 899 C LEU A 59 -3.803 -6.883 -0.502 1.00 0.00 C ATOM 900 O LEU A 59 -3.257 -5.857 -0.906 1.00 0.00 O ATOM 901 CB LEU A 59 -4.639 -8.758 -1.931 1.00 0.00 C ATOM 902 CG LEU A 59 -5.126 -7.842 -3.054 1.00 0.00 C ATOM 903 CD1 LEU A 59 -4.121 -7.815 -4.195 1.00 0.00 C ATOM 904 CD2 LEU A 59 -6.491 -8.292 -3.555 1.00 0.00 C ATOM 0 H LEU A 59 -3.723 -10.015 -0.020 1.00 0.00 H new ATOM 0 HA LEU A 59 -2.594 -8.118 -1.757 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -4.358 -9.717 -2.367 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -5.473 -8.947 -1.256 1.00 0.00 H new ATOM 0 HG LEU A 59 -5.221 -6.831 -2.657 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -4.485 -7.158 -4.985 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -3.164 -7.445 -3.828 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -3.993 -8.822 -4.591 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -6.822 -7.629 -4.354 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -6.421 -9.311 -3.935 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -7.209 -8.259 -2.735 1.00 0.00 H new ATOM 916 N GLN A 60 -4.711 -6.886 0.469 1.00 0.00 N ATOM 917 CA GLN A 60 -5.126 -5.655 1.130 1.00 0.00 C ATOM 918 C GLN A 60 -3.929 -4.748 1.394 1.00 0.00 C ATOM 919 O GLN A 60 -3.879 -3.614 0.917 1.00 0.00 O ATOM 920 CB GLN A 60 -5.839 -5.973 2.446 1.00 0.00 C ATOM 921 CG GLN A 60 -7.183 -6.657 2.259 1.00 0.00 C ATOM 922 CD GLN A 60 -8.243 -5.722 1.711 1.00 0.00 C ATOM 923 OE1 GLN A 60 -7.962 -4.875 0.863 1.00 0.00 O ATOM 924 NE2 GLN A 60 -9.472 -5.872 2.193 1.00 0.00 N ATOM 0 H GLN A 60 -5.173 -7.727 0.815 1.00 0.00 H new ATOM 0 HA GLN A 60 -5.816 -5.132 0.468 1.00 0.00 H new ATOM 0 HB2 GLN A 60 -5.197 -6.612 3.053 1.00 0.00 H new ATOM 0 HB3 GLN A 60 -5.986 -5.048 3.003 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -7.065 -7.503 1.582 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -7.518 -7.059 3.215 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -9.661 -6.587 2.895 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -10.227 -5.272 1.861 1.00 0.00 H new ATOM 933 N VAL A 61 -2.965 -5.254 2.156 1.00 0.00 N ATOM 934 CA VAL A 61 -1.767 -4.490 2.483 1.00 0.00 C ATOM 935 C VAL A 61 -1.040 -4.042 1.220 1.00 0.00 C ATOM 936 O VAL A 61 -0.801 -2.851 1.017 1.00 0.00 O ATOM 937 CB VAL A 61 -0.798 -5.310 3.355 1.00 0.00 C ATOM 938 CG1 VAL A 61 0.367 -4.447 3.816 1.00 0.00 C ATOM 939 CG2 VAL A 61 -1.532 -5.909 4.546 1.00 0.00 C ATOM 0 H VAL A 61 -2.990 -6.191 2.559 1.00 0.00 H new ATOM 0 HA VAL A 61 -2.094 -3.613 3.042 1.00 0.00 H new ATOM 0 HB VAL A 61 -0.398 -6.127 2.754 1.00 0.00 H new ATOM 0 HG11 VAL A 61 1.041 -5.044 4.431 1.00 0.00 H new ATOM 0 HG12 VAL A 61 0.907 -4.070 2.947 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -0.011 -3.608 4.401 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -0.833 -6.485 5.152 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -1.961 -5.109 5.149 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -2.329 -6.563 4.191 1.00 0.00 H new ATOM 949 N LYS A 62 -0.691 -5.003 0.372 1.00 0.00 N ATOM 950 CA LYS A 62 0.007 -4.709 -0.874 1.00 0.00 C ATOM 951 C LYS A 62 -0.653 -3.546 -1.606 1.00 0.00 C ATOM 952 O LYS A 62 -0.038 -2.499 -1.815 1.00 0.00 O ATOM 953 CB LYS A 62 0.030 -5.946 -1.774 1.00 0.00 C ATOM 954 CG LYS A 62 1.003 -5.836 -2.935 1.00 0.00 C ATOM 955 CD LYS A 62 0.836 -6.986 -3.914 1.00 0.00 C ATOM 956 CE LYS A 62 -0.417 -6.820 -4.761 1.00 0.00 C ATOM 957 NZ LYS A 62 -0.811 -8.093 -5.425 1.00 0.00 N ATOM 0 H LYS A 62 -0.880 -5.994 0.525 1.00 0.00 H new ATOM 0 HA LYS A 62 1.031 -4.427 -0.630 1.00 0.00 H new ATOM 0 HB2 LYS A 62 0.291 -6.817 -1.173 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -0.972 -6.118 -2.166 1.00 0.00 H new ATOM 0 HG2 LYS A 62 0.847 -4.890 -3.454 1.00 0.00 H new ATOM 0 HG3 LYS A 62 2.025 -5.826 -2.555 1.00 0.00 H new ATOM 0 HD2 LYS A 62 1.710 -7.043 -4.563 1.00 0.00 H new ATOM 0 HD3 LYS A 62 0.784 -7.927 -3.366 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -1.236 -6.470 -4.133 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -0.245 -6.054 -5.517 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -1.669 -7.938 -5.992 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -0.040 -8.415 -6.044 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -1.000 -8.817 -4.703 1.00 0.00 H new ATOM 971 N THR A 63 -1.911 -3.734 -1.995 1.00 0.00 N ATOM 972 CA THR A 63 -2.655 -2.701 -2.704 1.00 0.00 C ATOM 973 C THR A 63 -2.870 -1.475 -1.822 1.00 0.00 C ATOM 974 O THR A 63 -2.387 -0.386 -2.130 1.00 0.00 O ATOM 975 CB THR A 63 -4.023 -3.221 -3.182 1.00 0.00 C ATOM 976 OG1 THR A 63 -3.843 -4.336 -4.062 1.00 0.00 O ATOM 977 CG2 THR A 63 -4.800 -2.126 -3.896 1.00 0.00 C ATOM 0 H THR A 63 -2.436 -4.593 -1.830 1.00 0.00 H new ATOM 0 HA THR A 63 -2.058 -2.421 -3.572 1.00 0.00 H new ATOM 0 HB THR A 63 -4.592 -3.536 -2.307 1.00 0.00 H new ATOM 0 HG1 THR A 63 -4.718 -4.662 -4.360 1.00 0.00 H new ATOM 0 HG21 THR A 63 -5.763 -2.518 -4.224 1.00 0.00 H new ATOM 0 HG22 THR A 63 -4.961 -1.291 -3.214 1.00 0.00 H new ATOM 0 HG23 THR A 63 -4.234 -1.783 -4.762 1.00 0.00 H new ATOM 985 N TRP A 64 -3.595 -1.662 -0.726 1.00 0.00 N ATOM 986 CA TRP A 64 -3.873 -0.570 0.201 1.00 0.00 C ATOM 987 C TRP A 64 -2.663 0.346 0.342 1.00 0.00 C ATOM 988 O TRP A 64 -2.785 1.568 0.258 1.00 0.00 O ATOM 989 CB TRP A 64 -4.270 -1.125 1.570 1.00 0.00 C ATOM 990 CG TRP A 64 -4.745 -0.070 2.524 1.00 0.00 C ATOM 991 CD1 TRP A 64 -6.036 0.317 2.741 1.00 0.00 C ATOM 992 CD2 TRP A 64 -3.932 0.733 3.386 1.00 0.00 C ATOM 993 NE1 TRP A 64 -6.075 1.312 3.687 1.00 0.00 N ATOM 994 CE2 TRP A 64 -4.798 1.585 4.099 1.00 0.00 C ATOM 995 CE3 TRP A 64 -2.558 0.814 3.627 1.00 0.00 C ATOM 996 CZ2 TRP A 64 -4.332 2.506 5.034 1.00 0.00 C ATOM 997 CZ3 TRP A 64 -2.097 1.729 4.555 1.00 0.00 C ATOM 998 CH2 TRP A 64 -2.982 2.564 5.250 1.00 0.00 C ATOM 0 H TRP A 64 -4.001 -2.558 -0.457 1.00 0.00 H new ATOM 0 HA TRP A 64 -4.701 0.013 -0.201 1.00 0.00 H new ATOM 0 HB2 TRP A 64 -5.057 -1.867 1.439 1.00 0.00 H new ATOM 0 HB3 TRP A 64 -3.415 -1.641 2.007 1.00 0.00 H new ATOM 0 HD1 TRP A 64 -6.899 -0.098 2.242 1.00 0.00 H new ATOM 0 HE1 TRP A 64 -6.919 1.773 4.028 1.00 0.00 H new ATOM 0 HE3 TRP A 64 -1.868 0.173 3.098 1.00 0.00 H new ATOM 0 HZ2 TRP A 64 -5.012 3.152 5.570 1.00 0.00 H new ATOM 0 HZ3 TRP A 64 -1.037 1.802 4.748 1.00 0.00 H new ATOM 0 HH2 TRP A 64 -2.591 3.267 5.970 1.00 0.00 H new ATOM 1009 N TYR A 65 -1.496 -0.251 0.555 1.00 0.00 N ATOM 1010 CA TYR A 65 -0.263 0.512 0.710 1.00 0.00 C ATOM 1011 C TYR A 65 0.002 1.373 -0.522 1.00 0.00 C ATOM 1012 O TYR A 65 0.042 2.600 -0.437 1.00 0.00 O ATOM 1013 CB TYR A 65 0.918 -0.429 0.952 1.00 0.00 C ATOM 1014 CG TYR A 65 1.178 -0.710 2.415 1.00 0.00 C ATOM 1015 CD1 TYR A 65 0.187 -1.250 3.226 1.00 0.00 C ATOM 1016 CD2 TYR A 65 2.415 -0.436 2.986 1.00 0.00 C ATOM 1017 CE1 TYR A 65 0.421 -1.507 4.563 1.00 0.00 C ATOM 1018 CE2 TYR A 65 2.657 -0.691 4.322 1.00 0.00 C ATOM 1019 CZ TYR A 65 1.657 -1.226 5.106 1.00 0.00 C ATOM 1020 OH TYR A 65 1.894 -1.482 6.437 1.00 0.00 O ATOM 0 H TYR A 65 -1.378 -1.262 0.624 1.00 0.00 H new ATOM 0 HA TYR A 65 -0.378 1.168 1.573 1.00 0.00 H new ATOM 0 HB2 TYR A 65 0.732 -1.372 0.437 1.00 0.00 H new ATOM 0 HB3 TYR A 65 1.814 0.005 0.509 1.00 0.00 H new ATOM 0 HD1 TYR A 65 -0.782 -1.472 2.804 1.00 0.00 H new ATOM 0 HD2 TYR A 65 3.201 -0.017 2.375 1.00 0.00 H new ATOM 0 HE1 TYR A 65 -0.360 -1.926 5.180 1.00 0.00 H new ATOM 0 HE2 TYR A 65 3.624 -0.472 4.750 1.00 0.00 H new ATOM 0 HH TYR A 65 2.859 -1.460 6.608 1.00 0.00 H new ATOM 1030 N GLN A 66 0.183 0.719 -1.665 1.00 0.00 N ATOM 1031 CA GLN A 66 0.445 1.423 -2.914 1.00 0.00 C ATOM 1032 C GLN A 66 -0.497 2.611 -3.077 1.00 0.00 C ATOM 1033 O GLN A 66 -0.055 3.747 -3.248 1.00 0.00 O ATOM 1034 CB GLN A 66 0.294 0.471 -4.102 1.00 0.00 C ATOM 1035 CG GLN A 66 1.340 -0.632 -4.134 1.00 0.00 C ATOM 1036 CD GLN A 66 1.659 -1.093 -5.543 1.00 0.00 C ATOM 1037 OE1 GLN A 66 2.434 -0.456 -6.256 1.00 0.00 O ATOM 1038 NE2 GLN A 66 1.061 -2.206 -5.951 1.00 0.00 N ATOM 0 H GLN A 66 0.153 -0.297 -1.751 1.00 0.00 H new ATOM 0 HA GLN A 66 1.469 1.796 -2.884 1.00 0.00 H new ATOM 0 HB2 GLN A 66 -0.698 0.019 -4.071 1.00 0.00 H new ATOM 0 HB3 GLN A 66 0.354 1.045 -5.027 1.00 0.00 H new ATOM 0 HG2 GLN A 66 2.253 -0.276 -3.657 1.00 0.00 H new ATOM 0 HG3 GLN A 66 0.985 -1.481 -3.550 1.00 0.00 H new ATOM 0 HE21 GLN A 66 0.426 -2.702 -5.326 1.00 0.00 H new ATOM 0 HE22 GLN A 66 1.237 -2.565 -6.889 1.00 0.00 H new ATOM 1047 N ASN A 67 -1.797 2.341 -3.022 1.00 0.00 N ATOM 1048 CA ASN A 67 -2.802 3.389 -3.165 1.00 0.00 C ATOM 1049 C ASN A 67 -2.528 4.540 -2.202 1.00 0.00 C ATOM 1050 O ASN A 67 -2.604 5.709 -2.579 1.00 0.00 O ATOM 1051 CB ASN A 67 -4.200 2.821 -2.914 1.00 0.00 C ATOM 1052 CG ASN A 67 -4.510 1.632 -3.804 1.00 0.00 C ATOM 1053 OD1 ASN A 67 -3.718 1.271 -4.674 1.00 0.00 O ATOM 1054 ND2 ASN A 67 -5.668 1.018 -3.588 1.00 0.00 N ATOM 0 H ASN A 67 -2.179 1.406 -2.880 1.00 0.00 H new ATOM 0 HA ASN A 67 -2.750 3.771 -4.184 1.00 0.00 H new ATOM 0 HB2 ASN A 67 -4.285 2.521 -1.869 1.00 0.00 H new ATOM 0 HB3 ASN A 67 -4.942 3.601 -3.083 1.00 0.00 H new ATOM 0 HD21 ASN A 67 -5.931 0.212 -4.155 1.00 0.00 H new ATOM 0 HD22 ASN A 67 -6.294 1.352 -2.855 1.00 0.00 H new ATOM 1061 N ARG A 68 -2.208 4.200 -0.958 1.00 0.00 N ATOM 1062 CA ARG A 68 -1.924 5.205 0.060 1.00 0.00 C ATOM 1063 C ARG A 68 -0.754 6.090 -0.363 1.00 0.00 C ATOM 1064 O ARG A 68 -0.822 7.315 -0.260 1.00 0.00 O ATOM 1065 CB ARG A 68 -1.611 4.532 1.398 1.00 0.00 C ATOM 1066 CG ARG A 68 -2.846 4.042 2.136 1.00 0.00 C ATOM 1067 CD ARG A 68 -3.654 5.200 2.700 1.00 0.00 C ATOM 1068 NE ARG A 68 -2.892 5.978 3.672 1.00 0.00 N ATOM 1069 CZ ARG A 68 -3.421 6.937 4.424 1.00 0.00 C ATOM 1070 NH1 ARG A 68 -4.709 7.233 4.316 1.00 0.00 N ATOM 1071 NH2 ARG A 68 -2.662 7.601 5.286 1.00 0.00 N ATOM 0 H ARG A 68 -2.139 3.237 -0.630 1.00 0.00 H new ATOM 0 HA ARG A 68 -2.809 5.831 0.175 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -0.944 3.688 1.223 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -1.074 5.237 2.033 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -3.469 3.459 1.458 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -2.547 3.377 2.946 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -3.973 5.850 1.885 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -4.558 4.815 3.173 1.00 0.00 H new ATOM 0 HE ARG A 68 -1.898 5.774 3.780 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -5.296 6.724 3.655 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -5.113 7.970 4.894 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -1.671 7.375 5.372 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -3.069 8.337 5.863 1.00 0.00 H new