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 Set 1.1: A 25 THR OG1 : rot 180:sc= -0.3 USER MOD Set 1.2: A 28 GLN : amide:sc= -0.697 K(o=-1,f=-7.4!) USER MOD Single : A 30 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 LYS NZ :NH3+ -162:sc= -0.02 (180deg=-0.256) USER MOD Single : A 39 GLN :FLIP amide:sc= 0 F(o=-1.4,f=0) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 58 GLN :FLIP amide:sc= -0.514 F(o=-1.3,f=-0.51) USER MOD Single : A 60 GLN : amide:sc= -4.82! C(o=-4.8!,f=-6.4!) 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= -2.07! USER MOD Single : A 66 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 67 ASN : amide:sc= -0.0638 K(o=-0.064,f=-1.3!) USER MOD ----------------------------------------------------------------- ATOM 319 N PHE A 24 -12.893 -1.765 4.923 1.00 0.00 N ATOM 320 CA PHE A 24 -12.087 -2.069 6.099 1.00 0.00 C ATOM 321 C PHE A 24 -12.773 -1.577 7.370 1.00 0.00 C ATOM 322 O PHE A 24 -13.338 -0.483 7.402 1.00 0.00 O ATOM 323 CB PHE A 24 -10.702 -1.431 5.974 1.00 0.00 C ATOM 324 CG PHE A 24 -9.866 -2.024 4.876 1.00 0.00 C ATOM 325 CD1 PHE A 24 -9.160 -3.198 5.083 1.00 0.00 C ATOM 326 CD2 PHE A 24 -9.786 -1.409 3.638 1.00 0.00 C ATOM 327 CE1 PHE A 24 -8.389 -3.746 4.076 1.00 0.00 C ATOM 328 CE2 PHE A 24 -9.017 -1.952 2.626 1.00 0.00 C ATOM 329 CZ PHE A 24 -8.319 -3.123 2.845 1.00 0.00 C ATOM 0 HA PHE A 24 -11.976 -3.151 6.162 1.00 0.00 H new ATOM 0 HB2 PHE A 24 -10.818 -0.362 5.795 1.00 0.00 H new ATOM 0 HB3 PHE A 24 -10.174 -1.540 6.921 1.00 0.00 H new ATOM 0 HD1 PHE A 24 -9.213 -3.691 6.043 1.00 0.00 H new ATOM 0 HD2 PHE A 24 -10.331 -0.494 3.461 1.00 0.00 H new ATOM 0 HE1 PHE A 24 -7.842 -4.660 4.251 1.00 0.00 H new ATOM 0 HE2 PHE A 24 -8.962 -1.461 1.666 1.00 0.00 H new ATOM 0 HZ PHE A 24 -7.719 -3.551 2.055 1.00 0.00 H new ATOM 339 N THR A 25 -12.720 -2.393 8.419 1.00 0.00 N ATOM 340 CA THR A 25 -13.337 -2.043 9.692 1.00 0.00 C ATOM 341 C THR A 25 -12.445 -1.103 10.495 1.00 0.00 C ATOM 342 O THR A 25 -11.220 -1.208 10.451 1.00 0.00 O ATOM 343 CB THR A 25 -13.633 -3.297 10.536 1.00 0.00 C ATOM 344 OG1 THR A 25 -12.413 -3.981 10.842 1.00 0.00 O ATOM 345 CG2 THR A 25 -14.576 -4.235 9.798 1.00 0.00 C ATOM 0 H THR A 25 -12.256 -3.301 8.411 1.00 0.00 H new ATOM 0 HA THR A 25 -14.276 -1.540 9.461 1.00 0.00 H new ATOM 0 HB THR A 25 -14.113 -2.980 11.462 1.00 0.00 H new ATOM 0 HG1 THR A 25 -12.610 -4.776 11.380 1.00 0.00 H new ATOM 0 HG21 THR A 25 -14.771 -5.113 10.413 1.00 0.00 H new ATOM 0 HG22 THR A 25 -15.515 -3.720 9.593 1.00 0.00 H new ATOM 0 HG23 THR A 25 -14.119 -4.544 8.858 1.00 0.00 H new ATOM 353 N GLU A 26 -13.068 -0.185 11.227 1.00 0.00 N ATOM 354 CA GLU A 26 -12.329 0.774 12.040 1.00 0.00 C ATOM 355 C GLU A 26 -11.101 0.121 12.669 1.00 0.00 C ATOM 356 O GLU A 26 -10.024 0.716 12.718 1.00 0.00 O ATOM 357 CB GLU A 26 -13.230 1.351 13.133 1.00 0.00 C ATOM 358 CG GLU A 26 -14.208 2.398 12.626 1.00 0.00 C ATOM 359 CD GLU A 26 -13.515 3.655 12.135 1.00 0.00 C ATOM 360 OE1 GLU A 26 -12.993 4.413 12.979 1.00 0.00 O ATOM 361 OE2 GLU A 26 -13.495 3.879 10.907 1.00 0.00 O ATOM 0 H GLU A 26 -14.082 -0.085 11.274 1.00 0.00 H new ATOM 0 HA GLU A 26 -11.996 1.583 11.390 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -13.789 0.539 13.598 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -12.607 1.794 13.910 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -14.800 1.974 11.815 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -14.902 2.659 13.425 1.00 0.00 H new ATOM 368 N LEU A 27 -11.272 -1.105 13.151 1.00 0.00 N ATOM 369 CA LEU A 27 -10.179 -1.840 13.778 1.00 0.00 C ATOM 370 C LEU A 27 -9.083 -2.154 12.766 1.00 0.00 C ATOM 371 O LEU A 27 -7.918 -1.818 12.975 1.00 0.00 O ATOM 372 CB LEU A 27 -10.701 -3.135 14.402 1.00 0.00 C ATOM 373 CG LEU A 27 -9.812 -3.772 15.470 1.00 0.00 C ATOM 374 CD1 LEU A 27 -10.083 -3.150 16.831 1.00 0.00 C ATOM 375 CD2 LEU A 27 -10.030 -5.278 15.517 1.00 0.00 C ATOM 0 H LEU A 27 -12.157 -1.611 13.120 1.00 0.00 H new ATOM 0 HA LEU A 27 -9.754 -1.213 14.562 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -11.677 -2.934 14.843 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -10.855 -3.862 13.605 1.00 0.00 H new ATOM 0 HG LEU A 27 -8.771 -3.583 15.208 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -9.441 -3.616 17.578 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -9.875 -2.081 16.790 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -11.127 -3.307 17.101 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -9.389 -5.715 16.283 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -11.073 -5.487 15.754 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -9.784 -5.712 14.548 1.00 0.00 H new ATOM 387 N GLN A 28 -9.465 -2.800 11.669 1.00 0.00 N ATOM 388 CA GLN A 28 -8.514 -3.159 10.623 1.00 0.00 C ATOM 389 C GLN A 28 -7.739 -1.934 10.149 1.00 0.00 C ATOM 390 O GLN A 28 -6.508 -1.937 10.121 1.00 0.00 O ATOM 391 CB GLN A 28 -9.241 -3.805 9.443 1.00 0.00 C ATOM 392 CG GLN A 28 -9.823 -5.173 9.762 1.00 0.00 C ATOM 393 CD GLN A 28 -10.788 -5.660 8.699 1.00 0.00 C ATOM 394 OE1 GLN A 28 -11.349 -4.866 7.944 1.00 0.00 O ATOM 395 NE2 GLN A 28 -10.986 -6.971 8.635 1.00 0.00 N ATOM 0 H GLN A 28 -10.426 -3.086 11.481 1.00 0.00 H new ATOM 0 HA GLN A 28 -7.806 -3.875 11.040 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -10.044 -3.145 9.116 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -8.547 -3.900 8.608 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -9.011 -5.893 9.868 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -10.338 -5.130 10.722 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -10.499 -7.592 9.281 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -11.625 -7.357 7.940 1.00 0.00 H new ATOM 404 N LEU A 29 -8.468 -0.887 9.777 1.00 0.00 N ATOM 405 CA LEU A 29 -7.849 0.346 9.303 1.00 0.00 C ATOM 406 C LEU A 29 -6.836 0.871 10.316 1.00 0.00 C ATOM 407 O LEU A 29 -5.707 1.209 9.961 1.00 0.00 O ATOM 408 CB LEU A 29 -8.918 1.407 9.037 1.00 0.00 C ATOM 409 CG LEU A 29 -9.565 1.376 7.652 1.00 0.00 C ATOM 410 CD1 LEU A 29 -10.644 2.442 7.543 1.00 0.00 C ATOM 411 CD2 LEU A 29 -8.513 1.566 6.568 1.00 0.00 C ATOM 0 H LEU A 29 -9.488 -0.867 9.794 1.00 0.00 H new ATOM 0 HA LEU A 29 -7.325 0.126 8.373 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -9.703 1.298 9.785 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -8.471 2.390 9.185 1.00 0.00 H new ATOM 0 HG LEU A 29 -10.031 0.401 7.511 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -11.093 2.405 6.551 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -11.411 2.261 8.296 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -10.202 3.425 7.705 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -8.991 1.541 5.589 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -8.018 2.527 6.706 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -7.776 0.766 6.632 1.00 0.00 H new ATOM 423 N MET A 30 -7.247 0.935 11.578 1.00 0.00 N ATOM 424 CA MET A 30 -6.374 1.416 12.642 1.00 0.00 C ATOM 425 C MET A 30 -5.010 0.736 12.576 1.00 0.00 C ATOM 426 O MET A 30 -3.974 1.393 12.662 1.00 0.00 O ATOM 427 CB MET A 30 -7.015 1.166 14.009 1.00 0.00 C ATOM 428 CG MET A 30 -6.092 1.467 15.178 1.00 0.00 C ATOM 429 SD MET A 30 -6.990 1.919 16.674 1.00 0.00 S ATOM 430 CE MET A 30 -6.722 0.463 17.683 1.00 0.00 C ATOM 0 H MET A 30 -8.179 0.660 11.889 1.00 0.00 H new ATOM 0 HA MET A 30 -6.233 2.488 12.505 1.00 0.00 H new ATOM 0 HB2 MET A 30 -7.912 1.779 14.098 1.00 0.00 H new ATOM 0 HB3 MET A 30 -7.333 0.125 14.067 1.00 0.00 H new ATOM 0 HG2 MET A 30 -5.472 0.593 15.381 1.00 0.00 H new ATOM 0 HG3 MET A 30 -5.418 2.279 14.904 1.00 0.00 H new ATOM 0 HE1 MET A 30 -7.218 0.591 18.645 1.00 0.00 H new ATOM 0 HE2 MET A 30 -7.131 -0.411 17.176 1.00 0.00 H new ATOM 0 HE3 MET A 30 -5.653 0.322 17.842 1.00 0.00 H new ATOM 440 N GLY A 31 -5.019 -0.585 12.422 1.00 0.00 N ATOM 441 CA GLY A 31 -3.777 -1.331 12.347 1.00 0.00 C ATOM 442 C GLY A 31 -3.027 -1.081 11.053 1.00 0.00 C ATOM 443 O GLY A 31 -1.807 -0.913 11.057 1.00 0.00 O ATOM 0 H GLY A 31 -5.864 -1.151 12.348 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -3.142 -1.059 13.190 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -3.990 -2.396 12.440 1.00 0.00 H new ATOM 447 N LEU A 32 -3.757 -1.057 9.944 1.00 0.00 N ATOM 448 CA LEU A 32 -3.153 -0.826 8.636 1.00 0.00 C ATOM 449 C LEU A 32 -2.395 0.497 8.612 1.00 0.00 C ATOM 450 O LEU A 32 -1.291 0.580 8.075 1.00 0.00 O ATOM 451 CB LEU A 32 -4.229 -0.831 7.548 1.00 0.00 C ATOM 452 CG LEU A 32 -4.727 -2.206 7.102 1.00 0.00 C ATOM 453 CD1 LEU A 32 -5.983 -2.071 6.257 1.00 0.00 C ATOM 454 CD2 LEU A 32 -3.640 -2.943 6.332 1.00 0.00 C ATOM 0 H LEU A 32 -4.767 -1.195 9.924 1.00 0.00 H new ATOM 0 HA LEU A 32 -2.445 -1.632 8.442 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -5.083 -0.257 7.907 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -3.837 -0.308 6.675 1.00 0.00 H new ATOM 0 HG LEU A 32 -4.973 -2.788 7.990 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -6.322 -3.060 5.949 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -6.764 -1.585 6.841 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -5.764 -1.471 5.374 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -4.012 -3.920 6.022 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -3.362 -2.364 5.451 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -2.766 -3.073 6.971 1.00 0.00 H new ATOM 466 N GLU A 33 -2.995 1.528 9.198 1.00 0.00 N ATOM 467 CA GLU A 33 -2.375 2.847 9.245 1.00 0.00 C ATOM 468 C GLU A 33 -1.140 2.836 10.140 1.00 0.00 C ATOM 469 O GLU A 33 -0.135 3.481 9.841 1.00 0.00 O ATOM 470 CB GLU A 33 -3.376 3.888 9.750 1.00 0.00 C ATOM 471 CG GLU A 33 -4.532 4.134 8.796 1.00 0.00 C ATOM 472 CD GLU A 33 -5.476 5.214 9.288 1.00 0.00 C ATOM 473 OE1 GLU A 33 -6.417 4.881 10.038 1.00 0.00 O ATOM 474 OE2 GLU A 33 -5.273 6.391 8.924 1.00 0.00 O ATOM 0 H GLU A 33 -3.909 1.475 9.647 1.00 0.00 H new ATOM 0 HA GLU A 33 -2.067 3.111 8.234 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -3.773 3.562 10.711 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -2.853 4.828 9.924 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -4.138 4.418 7.820 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -5.088 3.207 8.658 1.00 0.00 H new ATOM 481 N LYS A 34 -1.222 2.098 11.243 1.00 0.00 N ATOM 482 CA LYS A 34 -0.112 2.001 12.184 1.00 0.00 C ATOM 483 C LYS A 34 1.112 1.379 11.519 1.00 0.00 C ATOM 484 O LYS A 34 2.210 1.932 11.578 1.00 0.00 O ATOM 485 CB LYS A 34 -0.522 1.171 13.402 1.00 0.00 C ATOM 486 CG LYS A 34 0.203 1.565 14.678 1.00 0.00 C ATOM 487 CD LYS A 34 -0.308 2.889 15.223 1.00 0.00 C ATOM 488 CE LYS A 34 -1.600 2.708 16.005 1.00 0.00 C ATOM 489 NZ LYS A 34 -1.766 3.753 17.052 1.00 0.00 N ATOM 0 H LYS A 34 -2.046 1.558 11.507 1.00 0.00 H new ATOM 0 HA LYS A 34 0.147 3.009 12.509 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -1.596 1.275 13.557 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -0.330 0.118 13.195 1.00 0.00 H new ATOM 0 HG2 LYS A 34 0.070 0.786 15.429 1.00 0.00 H new ATOM 0 HG3 LYS A 34 1.273 1.640 14.482 1.00 0.00 H new ATOM 0 HD2 LYS A 34 0.449 3.335 15.868 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -0.474 3.583 14.399 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -2.447 2.743 15.320 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -1.607 1.723 16.471 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -2.658 3.594 17.562 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -0.971 3.704 17.721 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -1.785 4.692 16.605 1.00 0.00 H new ATOM 503 N ARG A 35 0.914 0.227 10.886 1.00 0.00 N ATOM 504 CA ARG A 35 2.002 -0.470 10.211 1.00 0.00 C ATOM 505 C ARG A 35 2.587 0.390 9.093 1.00 0.00 C ATOM 506 O ARG A 35 3.745 0.802 9.154 1.00 0.00 O ATOM 507 CB ARG A 35 1.508 -1.800 9.640 1.00 0.00 C ATOM 508 CG ARG A 35 1.386 -2.901 10.681 1.00 0.00 C ATOM 509 CD ARG A 35 2.729 -3.560 10.954 1.00 0.00 C ATOM 510 NE ARG A 35 2.581 -4.958 11.352 1.00 0.00 N ATOM 511 CZ ARG A 35 2.330 -5.346 12.597 1.00 0.00 C ATOM 512 NH1 ARG A 35 2.199 -4.445 13.561 1.00 0.00 N ATOM 513 NH2 ARG A 35 2.210 -6.636 12.880 1.00 0.00 N ATOM 0 H ARG A 35 0.011 -0.243 10.827 1.00 0.00 H new ATOM 0 HA ARG A 35 2.785 -0.666 10.944 1.00 0.00 H new ATOM 0 HB2 ARG A 35 0.536 -1.646 9.171 1.00 0.00 H new ATOM 0 HB3 ARG A 35 2.192 -2.126 8.857 1.00 0.00 H new ATOM 0 HG2 ARG A 35 0.988 -2.485 11.607 1.00 0.00 H new ATOM 0 HG3 ARG A 35 0.674 -3.651 10.337 1.00 0.00 H new ATOM 0 HD2 ARG A 35 3.350 -3.501 10.060 1.00 0.00 H new ATOM 0 HD3 ARG A 35 3.249 -3.012 11.740 1.00 0.00 H new ATOM 0 HE ARG A 35 2.676 -5.676 10.634 1.00 0.00 H new ATOM 0 HH11 ARG A 35 2.291 -3.452 13.347 1.00 0.00 H new ATOM 0 HH12 ARG A 35 2.006 -4.745 14.517 1.00 0.00 H new ATOM 0 HH21 ARG A 35 2.311 -7.332 12.141 1.00 0.00 H new ATOM 0 HH22 ARG A 35 2.017 -6.932 13.837 1.00 0.00 H new ATOM 527 N PHE A 36 1.777 0.655 8.073 1.00 0.00 N ATOM 528 CA PHE A 36 2.214 1.464 6.941 1.00 0.00 C ATOM 529 C PHE A 36 3.035 2.660 7.412 1.00 0.00 C ATOM 530 O PHE A 36 4.181 2.840 7.001 1.00 0.00 O ATOM 531 CB PHE A 36 1.006 1.945 6.135 1.00 0.00 C ATOM 532 CG PHE A 36 1.377 2.631 4.851 1.00 0.00 C ATOM 533 CD1 PHE A 36 2.085 3.823 4.867 1.00 0.00 C ATOM 534 CD2 PHE A 36 1.019 2.085 3.629 1.00 0.00 C ATOM 535 CE1 PHE A 36 2.426 4.457 3.687 1.00 0.00 C ATOM 536 CE2 PHE A 36 1.358 2.715 2.446 1.00 0.00 C ATOM 537 CZ PHE A 36 2.064 3.901 2.475 1.00 0.00 C ATOM 0 H PHE A 36 0.815 0.322 8.007 1.00 0.00 H new ATOM 0 HA PHE A 36 2.843 0.843 6.304 1.00 0.00 H new ATOM 0 HB2 PHE A 36 0.366 1.092 5.910 1.00 0.00 H new ATOM 0 HB3 PHE A 36 0.420 2.630 6.748 1.00 0.00 H new ATOM 0 HD1 PHE A 36 2.373 4.261 5.811 1.00 0.00 H new ATOM 0 HD2 PHE A 36 0.469 1.156 3.600 1.00 0.00 H new ATOM 0 HE1 PHE A 36 2.975 5.387 3.712 1.00 0.00 H new ATOM 0 HE2 PHE A 36 1.071 2.280 1.500 1.00 0.00 H new ATOM 0 HZ PHE A 36 2.333 4.393 1.552 1.00 0.00 H new ATOM 547 N GLU A 37 2.439 3.476 8.276 1.00 0.00 N ATOM 548 CA GLU A 37 3.115 4.657 8.801 1.00 0.00 C ATOM 549 C GLU A 37 4.536 4.319 9.242 1.00 0.00 C ATOM 550 O GLU A 37 5.500 4.949 8.806 1.00 0.00 O ATOM 551 CB GLU A 37 2.329 5.240 9.978 1.00 0.00 C ATOM 552 CG GLU A 37 1.144 6.092 9.555 1.00 0.00 C ATOM 553 CD GLU A 37 1.561 7.451 9.027 1.00 0.00 C ATOM 554 OE1 GLU A 37 2.199 8.211 9.785 1.00 0.00 O ATOM 555 OE2 GLU A 37 1.250 7.754 7.856 1.00 0.00 O ATOM 0 H GLU A 37 1.491 3.341 8.627 1.00 0.00 H new ATOM 0 HA GLU A 37 3.167 5.399 8.004 1.00 0.00 H new ATOM 0 HB2 GLU A 37 1.973 4.424 10.606 1.00 0.00 H new ATOM 0 HB3 GLU A 37 3.000 5.843 10.589 1.00 0.00 H new ATOM 0 HG2 GLU A 37 0.579 5.565 8.786 1.00 0.00 H new ATOM 0 HG3 GLU A 37 0.476 6.226 10.406 1.00 0.00 H new ATOM 562 N LYS A 38 4.658 3.321 10.111 1.00 0.00 N ATOM 563 CA LYS A 38 5.960 2.897 10.612 1.00 0.00 C ATOM 564 C LYS A 38 6.871 2.467 9.466 1.00 0.00 C ATOM 565 O LYS A 38 8.019 2.901 9.378 1.00 0.00 O ATOM 566 CB LYS A 38 5.797 1.745 11.606 1.00 0.00 C ATOM 567 CG LYS A 38 5.068 2.140 12.879 1.00 0.00 C ATOM 568 CD LYS A 38 4.736 0.926 13.731 1.00 0.00 C ATOM 569 CE LYS A 38 4.362 1.326 15.150 1.00 0.00 C ATOM 570 NZ LYS A 38 5.536 1.837 15.910 1.00 0.00 N ATOM 0 H LYS A 38 3.870 2.790 10.483 1.00 0.00 H new ATOM 0 HA LYS A 38 6.419 3.745 11.120 1.00 0.00 H new ATOM 0 HB2 LYS A 38 5.253 0.933 11.123 1.00 0.00 H new ATOM 0 HB3 LYS A 38 6.782 1.358 11.866 1.00 0.00 H new ATOM 0 HG2 LYS A 38 5.685 2.831 13.453 1.00 0.00 H new ATOM 0 HG3 LYS A 38 4.150 2.669 12.624 1.00 0.00 H new ATOM 0 HD2 LYS A 38 3.911 0.377 13.277 1.00 0.00 H new ATOM 0 HD3 LYS A 38 5.592 0.252 13.756 1.00 0.00 H new ATOM 0 HE2 LYS A 38 3.588 2.093 15.119 1.00 0.00 H new ATOM 0 HE3 LYS A 38 3.939 0.467 15.670 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 5.328 1.811 16.929 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 6.365 1.241 15.710 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 5.736 2.816 15.623 1.00 0.00 H new ATOM 584 N GLN A 39 6.350 1.614 8.590 1.00 0.00 N ATOM 585 CA GLN A 39 7.117 1.127 7.449 1.00 0.00 C ATOM 586 C GLN A 39 6.332 1.298 6.153 1.00 0.00 C ATOM 587 O GLN A 39 5.469 0.483 5.825 1.00 0.00 O ATOM 588 CB GLN A 39 7.486 -0.344 7.646 1.00 0.00 C ATOM 589 CG GLN A 39 8.750 -0.758 6.911 1.00 0.00 C ATOM 590 CD GLN A 39 9.342 -2.047 7.447 1.00 0.00 C ATOM 591 OE1 GLN A 39 8.551 -3.114 7.431 1.00 0.00 O flip ATOM 592 NE2 GLN A 39 10.497 -2.084 7.871 1.00 0.00 N flip ATOM 0 H GLN A 39 5.401 1.246 8.648 1.00 0.00 H new ATOM 0 HA GLN A 39 8.031 1.717 7.379 1.00 0.00 H new ATOM 0 HB2 GLN A 39 7.615 -0.538 8.711 1.00 0.00 H new ATOM 0 HB3 GLN A 39 6.658 -0.966 7.306 1.00 0.00 H new ATOM 0 HG2 GLN A 39 8.526 -0.879 5.851 1.00 0.00 H new ATOM 0 HG3 GLN A 39 9.490 0.038 6.992 1.00 0.00 H new ATOM 0 HE21 GLN A 39 11.070 -1.240 7.865 1.00 0.00 H new ATOM 0 HE22 GLN A 39 10.881 -2.959 8.229 1.00 0.00 H new ATOM 601 N LYS A 40 6.636 2.362 5.419 1.00 0.00 N ATOM 602 CA LYS A 40 5.960 2.640 4.157 1.00 0.00 C ATOM 603 C LYS A 40 5.718 1.354 3.374 1.00 0.00 C ATOM 604 O LYS A 40 4.631 1.137 2.838 1.00 0.00 O ATOM 605 CB LYS A 40 6.788 3.614 3.315 1.00 0.00 C ATOM 606 CG LYS A 40 6.460 5.074 3.575 1.00 0.00 C ATOM 607 CD LYS A 40 6.594 5.423 5.048 1.00 0.00 C ATOM 608 CE LYS A 40 6.763 6.920 5.253 1.00 0.00 C ATOM 609 NZ LYS A 40 6.809 7.280 6.697 1.00 0.00 N ATOM 0 H LYS A 40 7.347 3.047 5.676 1.00 0.00 H new ATOM 0 HA LYS A 40 4.995 3.094 4.383 1.00 0.00 H new ATOM 0 HB2 LYS A 40 7.846 3.447 3.517 1.00 0.00 H new ATOM 0 HB3 LYS A 40 6.626 3.396 2.259 1.00 0.00 H new ATOM 0 HG2 LYS A 40 7.126 5.707 2.988 1.00 0.00 H new ATOM 0 HG3 LYS A 40 5.444 5.284 3.241 1.00 0.00 H new ATOM 0 HD2 LYS A 40 5.711 5.078 5.586 1.00 0.00 H new ATOM 0 HD3 LYS A 40 7.450 4.898 5.471 1.00 0.00 H new ATOM 0 HE2 LYS A 40 7.680 7.252 4.767 1.00 0.00 H new ATOM 0 HE3 LYS A 40 5.939 7.448 4.773 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 6.925 8.309 6.795 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 5.923 6.986 7.156 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 7.611 6.797 7.150 1.00 0.00 H new ATOM 623 N TYR A 41 6.737 0.504 3.313 1.00 0.00 N ATOM 624 CA TYR A 41 6.635 -0.761 2.595 1.00 0.00 C ATOM 625 C TYR A 41 7.076 -1.926 3.476 1.00 0.00 C ATOM 626 O TYR A 41 8.209 -1.961 3.958 1.00 0.00 O ATOM 627 CB TYR A 41 7.484 -0.720 1.323 1.00 0.00 C ATOM 628 CG TYR A 41 7.525 0.642 0.666 1.00 0.00 C ATOM 629 CD1 TYR A 41 6.353 1.313 0.341 1.00 0.00 C ATOM 630 CD2 TYR A 41 8.736 1.256 0.370 1.00 0.00 C ATOM 631 CE1 TYR A 41 6.385 2.557 -0.259 1.00 0.00 C ATOM 632 CE2 TYR A 41 8.778 2.500 -0.229 1.00 0.00 C ATOM 633 CZ TYR A 41 7.600 3.146 -0.542 1.00 0.00 C ATOM 634 OH TYR A 41 7.638 4.385 -1.141 1.00 0.00 O ATOM 0 H TYR A 41 7.643 0.668 3.752 1.00 0.00 H new ATOM 0 HA TYR A 41 5.590 -0.910 2.322 1.00 0.00 H new ATOM 0 HB2 TYR A 41 8.501 -1.028 1.565 1.00 0.00 H new ATOM 0 HB3 TYR A 41 7.092 -1.446 0.611 1.00 0.00 H new ATOM 0 HD1 TYR A 41 5.400 0.854 0.561 1.00 0.00 H new ATOM 0 HD2 TYR A 41 9.660 0.752 0.612 1.00 0.00 H new ATOM 0 HE1 TYR A 41 5.464 3.065 -0.505 1.00 0.00 H new ATOM 0 HE2 TYR A 41 9.728 2.964 -0.451 1.00 0.00 H new ATOM 0 HH TYR A 41 8.570 4.657 -1.270 1.00 0.00 H new ATOM 644 N LEU A 42 6.172 -2.877 3.684 1.00 0.00 N ATOM 645 CA LEU A 42 6.466 -4.045 4.507 1.00 0.00 C ATOM 646 C LEU A 42 7.254 -5.084 3.716 1.00 0.00 C ATOM 647 O LEU A 42 7.430 -4.955 2.505 1.00 0.00 O ATOM 648 CB LEU A 42 5.169 -4.663 5.032 1.00 0.00 C ATOM 649 CG LEU A 42 4.241 -3.722 5.801 1.00 0.00 C ATOM 650 CD1 LEU A 42 2.852 -4.329 5.929 1.00 0.00 C ATOM 651 CD2 LEU A 42 4.817 -3.410 7.175 1.00 0.00 C ATOM 0 H LEU A 42 5.230 -2.862 3.294 1.00 0.00 H new ATOM 0 HA LEU A 42 7.074 -3.720 5.351 1.00 0.00 H new ATOM 0 HB2 LEU A 42 4.617 -5.074 4.186 1.00 0.00 H new ATOM 0 HB3 LEU A 42 5.426 -5.499 5.682 1.00 0.00 H new ATOM 0 HG LEU A 42 4.158 -2.789 5.243 1.00 0.00 H new ATOM 0 HD11 LEU A 42 2.205 -3.645 6.479 1.00 0.00 H new ATOM 0 HD12 LEU A 42 2.437 -4.501 4.936 1.00 0.00 H new ATOM 0 HD13 LEU A 42 2.917 -5.276 6.464 1.00 0.00 H new ATOM 0 HD21 LEU A 42 4.143 -2.739 7.708 1.00 0.00 H new ATOM 0 HD22 LEU A 42 4.931 -4.335 7.741 1.00 0.00 H new ATOM 0 HD23 LEU A 42 5.790 -2.932 7.062 1.00 0.00 H new ATOM 663 N SER A 43 7.725 -6.116 4.410 1.00 0.00 N ATOM 664 CA SER A 43 8.495 -7.177 3.772 1.00 0.00 C ATOM 665 C SER A 43 7.587 -8.325 3.343 1.00 0.00 C ATOM 666 O SER A 43 6.391 -8.330 3.636 1.00 0.00 O ATOM 667 CB SER A 43 9.575 -7.695 4.725 1.00 0.00 C ATOM 668 OG SER A 43 10.439 -6.648 5.134 1.00 0.00 O ATOM 0 H SER A 43 7.587 -6.239 5.413 1.00 0.00 H new ATOM 0 HA SER A 43 8.972 -6.763 2.884 1.00 0.00 H new ATOM 0 HB2 SER A 43 9.107 -8.147 5.599 1.00 0.00 H new ATOM 0 HB3 SER A 43 10.154 -8.477 4.233 1.00 0.00 H new ATOM 0 HG SER A 43 11.119 -7.004 5.743 1.00 0.00 H new ATOM 674 N THR A 44 8.164 -9.299 2.646 1.00 0.00 N ATOM 675 CA THR A 44 7.408 -10.453 2.174 1.00 0.00 C ATOM 676 C THR A 44 6.688 -11.146 3.325 1.00 0.00 C ATOM 677 O THR A 44 5.463 -11.275 3.335 1.00 0.00 O ATOM 678 CB THR A 44 8.322 -11.472 1.467 1.00 0.00 C ATOM 679 OG1 THR A 44 8.369 -11.196 0.063 1.00 0.00 O ATOM 680 CG2 THR A 44 7.825 -12.892 1.694 1.00 0.00 C ATOM 0 H THR A 44 9.153 -9.312 2.396 1.00 0.00 H new ATOM 0 HA THR A 44 6.673 -10.080 1.461 1.00 0.00 H new ATOM 0 HB THR A 44 9.324 -11.383 1.888 1.00 0.00 H new ATOM 0 HG1 THR A 44 8.953 -11.847 -0.379 1.00 0.00 H new ATOM 0 HG21 THR A 44 8.486 -13.594 1.186 1.00 0.00 H new ATOM 0 HG22 THR A 44 7.818 -13.109 2.762 1.00 0.00 H new ATOM 0 HG23 THR A 44 6.815 -12.992 1.297 1.00 0.00 H new ATOM 688 N PRO A 45 7.463 -11.603 4.320 1.00 0.00 N ATOM 689 CA PRO A 45 6.919 -12.290 5.495 1.00 0.00 C ATOM 690 C PRO A 45 6.136 -11.350 6.405 1.00 0.00 C ATOM 691 O PRO A 45 5.050 -11.689 6.877 1.00 0.00 O ATOM 692 CB PRO A 45 8.168 -12.810 6.211 1.00 0.00 C ATOM 693 CG PRO A 45 9.260 -11.892 5.783 1.00 0.00 C ATOM 694 CD PRO A 45 8.929 -11.484 4.374 1.00 0.00 C ATOM 0 HA PRO A 45 6.212 -13.072 5.219 1.00 0.00 H new ATOM 0 HB2 PRO A 45 8.039 -12.794 7.293 1.00 0.00 H new ATOM 0 HB3 PRO A 45 8.385 -13.841 5.931 1.00 0.00 H new ATOM 0 HG2 PRO A 45 9.318 -11.022 6.438 1.00 0.00 H new ATOM 0 HG3 PRO A 45 10.229 -12.390 5.828 1.00 0.00 H new ATOM 0 HD2 PRO A 45 9.258 -10.466 4.163 1.00 0.00 H new ATOM 0 HD3 PRO A 45 9.412 -12.133 3.644 1.00 0.00 H new ATOM 702 N ASP A 46 6.693 -10.168 6.647 1.00 0.00 N ATOM 703 CA ASP A 46 6.045 -9.178 7.500 1.00 0.00 C ATOM 704 C ASP A 46 4.587 -8.983 7.095 1.00 0.00 C ATOM 705 O ASP A 46 3.675 -9.246 7.879 1.00 0.00 O ATOM 706 CB ASP A 46 6.791 -7.845 7.427 1.00 0.00 C ATOM 707 CG ASP A 46 7.914 -7.753 8.441 1.00 0.00 C ATOM 708 OD1 ASP A 46 8.754 -8.677 8.480 1.00 0.00 O ATOM 709 OD2 ASP A 46 7.954 -6.759 9.195 1.00 0.00 O ATOM 0 H ASP A 46 7.591 -9.872 6.265 1.00 0.00 H new ATOM 0 HA ASP A 46 6.072 -9.545 8.526 1.00 0.00 H new ATOM 0 HB2 ASP A 46 7.199 -7.715 6.425 1.00 0.00 H new ATOM 0 HB3 ASP A 46 6.088 -7.029 7.593 1.00 0.00 H new ATOM 714 N ARG A 47 4.376 -8.519 5.868 1.00 0.00 N ATOM 715 CA ARG A 47 3.029 -8.285 5.361 1.00 0.00 C ATOM 716 C ARG A 47 2.095 -9.426 5.753 1.00 0.00 C ATOM 717 O ARG A 47 0.920 -9.206 6.047 1.00 0.00 O ATOM 718 CB ARG A 47 3.054 -8.133 3.839 1.00 0.00 C ATOM 719 CG ARG A 47 1.674 -7.993 3.218 1.00 0.00 C ATOM 720 CD ARG A 47 1.760 -7.720 1.724 1.00 0.00 C ATOM 721 NE ARG A 47 2.500 -6.495 1.433 1.00 0.00 N ATOM 722 CZ ARG A 47 3.824 -6.443 1.331 1.00 0.00 C ATOM 723 NH1 ARG A 47 4.548 -7.541 1.495 1.00 0.00 N ATOM 724 NH2 ARG A 47 4.425 -5.291 1.063 1.00 0.00 N ATOM 0 H ARG A 47 5.120 -8.298 5.206 1.00 0.00 H new ATOM 0 HA ARG A 47 2.655 -7.363 5.806 1.00 0.00 H new ATOM 0 HB2 ARG A 47 3.650 -7.258 3.580 1.00 0.00 H new ATOM 0 HB3 ARG A 47 3.553 -8.999 3.404 1.00 0.00 H new ATOM 0 HG2 ARG A 47 1.102 -8.905 3.390 1.00 0.00 H new ATOM 0 HG3 ARG A 47 1.135 -7.182 3.707 1.00 0.00 H new ATOM 0 HD2 ARG A 47 2.244 -8.562 1.229 1.00 0.00 H new ATOM 0 HD3 ARG A 47 0.754 -7.643 1.311 1.00 0.00 H new ATOM 0 HE ARG A 47 1.972 -5.632 1.301 1.00 0.00 H new ATOM 0 HH11 ARG A 47 4.089 -8.429 1.700 1.00 0.00 H new ATOM 0 HH12 ARG A 47 5.564 -7.498 1.416 1.00 0.00 H new ATOM 0 HH21 ARG A 47 3.871 -4.444 0.935 1.00 0.00 H new ATOM 0 HH22 ARG A 47 5.441 -5.252 0.985 1.00 0.00 H new ATOM 738 N ILE A 48 2.626 -10.645 5.755 1.00 0.00 N ATOM 739 CA ILE A 48 1.840 -11.819 6.112 1.00 0.00 C ATOM 740 C ILE A 48 1.493 -11.817 7.597 1.00 0.00 C ATOM 741 O ILE A 48 0.323 -11.906 7.971 1.00 0.00 O ATOM 742 CB ILE A 48 2.589 -13.122 5.773 1.00 0.00 C ATOM 743 CG1 ILE A 48 2.962 -13.150 4.289 1.00 0.00 C ATOM 744 CG2 ILE A 48 1.738 -14.330 6.134 1.00 0.00 C ATOM 745 CD1 ILE A 48 3.822 -14.333 3.905 1.00 0.00 C ATOM 0 H ILE A 48 3.597 -10.844 5.513 1.00 0.00 H new ATOM 0 HA ILE A 48 0.922 -11.774 5.527 1.00 0.00 H new ATOM 0 HB ILE A 48 3.507 -13.160 6.359 1.00 0.00 H new ATOM 0 HG12 ILE A 48 2.049 -13.166 3.693 1.00 0.00 H new ATOM 0 HG13 ILE A 48 3.490 -12.230 4.038 1.00 0.00 H new ATOM 0 HG21 ILE A 48 2.280 -15.243 5.889 1.00 0.00 H new ATOM 0 HG22 ILE A 48 1.518 -14.314 7.201 1.00 0.00 H new ATOM 0 HG23 ILE A 48 0.805 -14.299 5.571 1.00 0.00 H new ATOM 0 HD11 ILE A 48 4.048 -14.288 2.840 1.00 0.00 H new ATOM 0 HD12 ILE A 48 4.751 -14.307 4.474 1.00 0.00 H new ATOM 0 HD13 ILE A 48 3.288 -15.258 4.124 1.00 0.00 H new ATOM 757 N ASP A 49 2.515 -11.714 8.438 1.00 0.00 N ATOM 758 CA ASP A 49 2.318 -11.698 9.883 1.00 0.00 C ATOM 759 C ASP A 49 1.195 -10.740 10.267 1.00 0.00 C ATOM 760 O ASP A 49 0.367 -11.049 11.125 1.00 0.00 O ATOM 761 CB ASP A 49 3.613 -11.296 10.591 1.00 0.00 C ATOM 762 CG ASP A 49 3.652 -11.760 12.034 1.00 0.00 C ATOM 763 OD1 ASP A 49 3.026 -12.796 12.340 1.00 0.00 O ATOM 764 OD2 ASP A 49 4.308 -11.088 12.856 1.00 0.00 O ATOM 0 H ASP A 49 3.489 -11.640 8.144 1.00 0.00 H new ATOM 0 HA ASP A 49 2.038 -12.703 10.198 1.00 0.00 H new ATOM 0 HB2 ASP A 49 4.463 -11.717 10.054 1.00 0.00 H new ATOM 0 HB3 ASP A 49 3.720 -10.212 10.558 1.00 0.00 H new ATOM 769 N LEU A 50 1.173 -9.576 9.628 1.00 0.00 N ATOM 770 CA LEU A 50 0.152 -8.571 9.903 1.00 0.00 C ATOM 771 C LEU A 50 -1.228 -9.068 9.485 1.00 0.00 C ATOM 772 O LEU A 50 -2.150 -9.127 10.298 1.00 0.00 O ATOM 773 CB LEU A 50 0.480 -7.268 9.172 1.00 0.00 C ATOM 774 CG LEU A 50 -0.691 -6.311 8.947 1.00 0.00 C ATOM 775 CD1 LEU A 50 -1.114 -5.667 10.258 1.00 0.00 C ATOM 776 CD2 LEU A 50 -0.322 -5.248 7.923 1.00 0.00 C ATOM 0 H LEU A 50 1.851 -9.304 8.916 1.00 0.00 H new ATOM 0 HA LEU A 50 0.141 -8.385 10.977 1.00 0.00 H new ATOM 0 HB2 LEU A 50 1.250 -6.742 9.737 1.00 0.00 H new ATOM 0 HB3 LEU A 50 0.911 -7.517 8.202 1.00 0.00 H new ATOM 0 HG LEU A 50 -1.533 -6.884 8.559 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -1.948 -4.989 10.078 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -1.421 -6.441 10.961 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -0.277 -5.108 10.676 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -1.167 -4.576 7.776 1.00 0.00 H new ATOM 0 HD22 LEU A 50 0.536 -4.679 8.282 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -0.070 -5.726 6.977 1.00 0.00 H new ATOM 788 N ALA A 51 -1.362 -9.426 8.213 1.00 0.00 N ATOM 789 CA ALA A 51 -2.628 -9.923 7.688 1.00 0.00 C ATOM 790 C ALA A 51 -3.220 -10.991 8.601 1.00 0.00 C ATOM 791 O ALA A 51 -4.430 -11.215 8.605 1.00 0.00 O ATOM 792 CB ALA A 51 -2.437 -10.474 6.283 1.00 0.00 C ATOM 0 H ALA A 51 -0.609 -9.381 7.526 1.00 0.00 H new ATOM 0 HA ALA A 51 -3.328 -9.089 7.647 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -3.390 -10.842 5.904 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -2.067 -9.684 5.630 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -1.717 -11.292 6.308 1.00 0.00 H new ATOM 798 N GLU A 52 -2.359 -11.647 9.373 1.00 0.00 N ATOM 799 CA GLU A 52 -2.798 -12.693 10.289 1.00 0.00 C ATOM 800 C GLU A 52 -3.219 -12.099 11.631 1.00 0.00 C ATOM 801 O GLU A 52 -4.104 -12.626 12.304 1.00 0.00 O ATOM 802 CB GLU A 52 -1.682 -13.718 10.500 1.00 0.00 C ATOM 803 CG GLU A 52 -1.717 -14.868 9.507 1.00 0.00 C ATOM 804 CD GLU A 52 -1.157 -16.154 10.084 1.00 0.00 C ATOM 805 OE1 GLU A 52 -0.201 -16.078 10.883 1.00 0.00 O ATOM 806 OE2 GLU A 52 -1.676 -17.235 9.736 1.00 0.00 O ATOM 0 H GLU A 52 -1.354 -11.473 9.382 1.00 0.00 H new ATOM 0 HA GLU A 52 -3.660 -13.191 9.845 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -0.718 -13.214 10.426 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -1.755 -14.119 11.511 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -2.745 -15.035 9.187 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -1.147 -14.594 8.619 1.00 0.00 H new ATOM 813 N SER A 53 -2.576 -11.000 12.012 1.00 0.00 N ATOM 814 CA SER A 53 -2.880 -10.336 13.275 1.00 0.00 C ATOM 815 C SER A 53 -4.220 -9.612 13.199 1.00 0.00 C ATOM 816 O SER A 53 -5.036 -9.693 14.119 1.00 0.00 O ATOM 817 CB SER A 53 -1.771 -9.345 13.634 1.00 0.00 C ATOM 818 OG SER A 53 -0.700 -9.996 14.296 1.00 0.00 O ATOM 0 H SER A 53 -1.842 -10.551 11.465 1.00 0.00 H new ATOM 0 HA SER A 53 -2.942 -11.098 14.052 1.00 0.00 H new ATOM 0 HB2 SER A 53 -1.403 -8.862 12.729 1.00 0.00 H new ATOM 0 HB3 SER A 53 -2.174 -8.559 14.273 1.00 0.00 H new ATOM 0 HG SER A 53 -0.004 -9.342 14.513 1.00 0.00 H new ATOM 824 N LEU A 54 -4.441 -8.903 12.097 1.00 0.00 N ATOM 825 CA LEU A 54 -5.682 -8.163 11.900 1.00 0.00 C ATOM 826 C LEU A 54 -6.740 -9.041 11.237 1.00 0.00 C ATOM 827 O LEU A 54 -7.937 -8.786 11.358 1.00 0.00 O ATOM 828 CB LEU A 54 -5.428 -6.920 11.046 1.00 0.00 C ATOM 829 CG LEU A 54 -4.531 -5.850 11.670 1.00 0.00 C ATOM 830 CD1 LEU A 54 -4.032 -4.885 10.606 1.00 0.00 C ATOM 831 CD2 LEU A 54 -5.277 -5.100 12.764 1.00 0.00 C ATOM 0 H LEU A 54 -3.777 -8.825 11.327 1.00 0.00 H new ATOM 0 HA LEU A 54 -6.051 -7.855 12.878 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -4.981 -7.236 10.103 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -6.389 -6.465 10.806 1.00 0.00 H new ATOM 0 HG LEU A 54 -3.668 -6.343 12.118 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -3.395 -4.131 11.069 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -3.460 -5.433 9.857 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -4.882 -4.399 10.128 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -4.623 -4.343 13.197 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -6.158 -4.619 12.339 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -5.585 -5.800 13.541 1.00 0.00 H new ATOM 843 N GLY A 55 -6.288 -10.078 10.538 1.00 0.00 N ATOM 844 CA GLY A 55 -7.208 -10.979 9.869 1.00 0.00 C ATOM 845 C GLY A 55 -7.477 -10.572 8.434 1.00 0.00 C ATOM 846 O GLY A 55 -8.476 -10.982 7.841 1.00 0.00 O ATOM 0 H GLY A 55 -5.301 -10.310 10.423 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -6.799 -11.989 9.886 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -8.149 -11.006 10.418 1.00 0.00 H new ATOM 850 N LEU A 56 -6.585 -9.762 7.873 1.00 0.00 N ATOM 851 CA LEU A 56 -6.732 -9.298 6.498 1.00 0.00 C ATOM 852 C LEU A 56 -5.983 -10.211 5.532 1.00 0.00 C ATOM 853 O LEU A 56 -5.293 -11.141 5.950 1.00 0.00 O ATOM 854 CB LEU A 56 -6.215 -7.864 6.366 1.00 0.00 C ATOM 855 CG LEU A 56 -7.013 -6.792 7.108 1.00 0.00 C ATOM 856 CD1 LEU A 56 -6.281 -5.460 7.071 1.00 0.00 C ATOM 857 CD2 LEU A 56 -8.406 -6.654 6.511 1.00 0.00 C ATOM 0 H LEU A 56 -5.753 -9.413 8.349 1.00 0.00 H new ATOM 0 HA LEU A 56 -7.792 -9.322 6.244 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -5.186 -7.836 6.724 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -6.191 -7.604 5.308 1.00 0.00 H new ATOM 0 HG LEU A 56 -7.115 -7.098 8.149 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -6.864 -4.709 7.604 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -5.306 -5.567 7.547 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -6.147 -5.147 6.036 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -8.959 -5.886 7.052 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -8.326 -6.371 5.461 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -8.932 -7.605 6.591 1.00 0.00 H new ATOM 869 N SER A 57 -6.123 -9.938 4.239 1.00 0.00 N ATOM 870 CA SER A 57 -5.462 -10.736 3.213 1.00 0.00 C ATOM 871 C SER A 57 -4.205 -10.036 2.707 1.00 0.00 C ATOM 872 O SER A 57 -4.224 -8.841 2.413 1.00 0.00 O ATOM 873 CB SER A 57 -6.417 -11.001 2.048 1.00 0.00 C ATOM 874 OG SER A 57 -7.409 -11.947 2.406 1.00 0.00 O ATOM 0 H SER A 57 -6.688 -9.170 3.877 1.00 0.00 H new ATOM 0 HA SER A 57 -5.172 -11.688 3.658 1.00 0.00 H new ATOM 0 HB2 SER A 57 -6.892 -10.068 1.744 1.00 0.00 H new ATOM 0 HB3 SER A 57 -5.855 -11.367 1.189 1.00 0.00 H new ATOM 0 HG SER A 57 -8.008 -12.097 1.645 1.00 0.00 H new ATOM 880 N GLN A 58 -3.115 -10.789 2.607 1.00 0.00 N ATOM 881 CA GLN A 58 -1.848 -10.241 2.136 1.00 0.00 C ATOM 882 C GLN A 58 -2.078 -9.188 1.057 1.00 0.00 C ATOM 883 O GLN A 58 -1.446 -8.131 1.061 1.00 0.00 O ATOM 884 CB GLN A 58 -0.955 -11.358 1.593 1.00 0.00 C ATOM 885 CG GLN A 58 -0.603 -12.413 2.630 1.00 0.00 C ATOM 886 CD GLN A 58 -0.081 -13.692 2.006 1.00 0.00 C ATOM 887 OE1 GLN A 58 1.177 -13.675 1.582 1.00 0.00 O flip ATOM 888 NE2 GLN A 58 -0.801 -14.686 1.905 1.00 0.00 N flip ATOM 0 H GLN A 58 -3.083 -11.780 2.846 1.00 0.00 H new ATOM 0 HA GLN A 58 -1.350 -9.766 2.981 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -1.458 -11.839 0.754 1.00 0.00 H new ATOM 0 HB3 GLN A 58 -0.035 -10.920 1.205 1.00 0.00 H new ATOM 0 HG2 GLN A 58 0.148 -12.012 3.310 1.00 0.00 H new ATOM 0 HG3 GLN A 58 -1.486 -12.639 3.228 1.00 0.00 H new ATOM 0 HE21 GLN A 58 -1.762 -14.656 2.244 1.00 0.00 H new ATOM 0 HE22 GLN A 58 -0.436 -15.539 1.482 1.00 0.00 H new ATOM 897 N LEU A 59 -2.987 -9.483 0.134 1.00 0.00 N ATOM 898 CA LEU A 59 -3.300 -8.562 -0.953 1.00 0.00 C ATOM 899 C LEU A 59 -3.704 -7.195 -0.409 1.00 0.00 C ATOM 900 O LEU A 59 -3.240 -6.163 -0.893 1.00 0.00 O ATOM 901 CB LEU A 59 -4.425 -9.130 -1.821 1.00 0.00 C ATOM 902 CG LEU A 59 -4.883 -8.251 -2.985 1.00 0.00 C ATOM 903 CD1 LEU A 59 -3.774 -8.108 -4.015 1.00 0.00 C ATOM 904 CD2 LEU A 59 -6.137 -8.827 -3.626 1.00 0.00 C ATOM 0 H LEU A 59 -3.520 -10.352 0.117 1.00 0.00 H new ATOM 0 HA LEU A 59 -2.405 -8.440 -1.562 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -4.098 -10.089 -2.223 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -5.285 -9.329 -1.182 1.00 0.00 H new ATOM 0 HG LEU A 59 -5.119 -7.260 -2.596 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -4.119 -7.479 -4.836 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -2.901 -7.650 -3.549 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -3.506 -9.092 -4.400 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -6.449 -8.189 -4.453 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -5.927 -9.829 -4.000 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -6.935 -8.877 -2.885 1.00 0.00 H new ATOM 916 N GLN A 60 -4.568 -7.198 0.601 1.00 0.00 N ATOM 917 CA GLN A 60 -5.032 -5.958 1.212 1.00 0.00 C ATOM 918 C GLN A 60 -3.871 -4.995 1.440 1.00 0.00 C ATOM 919 O GLN A 60 -3.818 -3.918 0.846 1.00 0.00 O ATOM 920 CB GLN A 60 -5.735 -6.250 2.539 1.00 0.00 C ATOM 921 CG GLN A 60 -7.044 -7.006 2.379 1.00 0.00 C ATOM 922 CD GLN A 60 -8.185 -6.110 1.939 1.00 0.00 C ATOM 923 OE1 GLN A 60 -8.118 -5.470 0.889 1.00 0.00 O ATOM 924 NE2 GLN A 60 -9.243 -6.060 2.740 1.00 0.00 N ATOM 0 H GLN A 60 -4.961 -8.044 1.013 1.00 0.00 H new ATOM 0 HA GLN A 60 -5.740 -5.489 0.529 1.00 0.00 H new ATOM 0 HB2 GLN A 60 -5.066 -6.829 3.176 1.00 0.00 H new ATOM 0 HB3 GLN A 60 -5.929 -5.309 3.053 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -6.911 -7.804 1.649 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -7.304 -7.480 3.326 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -9.257 -6.607 3.601 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -10.042 -5.475 2.494 1.00 0.00 H new ATOM 933 N VAL A 61 -2.941 -5.391 2.304 1.00 0.00 N ATOM 934 CA VAL A 61 -1.780 -4.564 2.610 1.00 0.00 C ATOM 935 C VAL A 61 -1.103 -4.074 1.334 1.00 0.00 C ATOM 936 O VAL A 61 -0.887 -2.875 1.154 1.00 0.00 O ATOM 937 CB VAL A 61 -0.752 -5.332 3.461 1.00 0.00 C ATOM 938 CG1 VAL A 61 0.352 -4.400 3.936 1.00 0.00 C ATOM 939 CG2 VAL A 61 -1.436 -6.008 4.640 1.00 0.00 C ATOM 0 H VAL A 61 -2.969 -6.279 2.804 1.00 0.00 H new ATOM 0 HA VAL A 61 -2.143 -3.707 3.178 1.00 0.00 H new ATOM 0 HB VAL A 61 -0.298 -6.106 2.841 1.00 0.00 H new ATOM 0 HG11 VAL A 61 1.069 -4.961 4.536 1.00 0.00 H new ATOM 0 HG12 VAL A 61 0.860 -3.968 3.074 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -0.080 -3.602 4.540 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -0.695 -6.546 5.231 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -1.918 -5.254 5.262 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -2.186 -6.709 4.273 1.00 0.00 H new ATOM 949 N LYS A 62 -0.771 -5.009 0.451 1.00 0.00 N ATOM 950 CA LYS A 62 -0.120 -4.674 -0.810 1.00 0.00 C ATOM 951 C LYS A 62 -0.870 -3.558 -1.530 1.00 0.00 C ATOM 952 O LYS A 62 -0.326 -2.477 -1.760 1.00 0.00 O ATOM 953 CB LYS A 62 -0.037 -5.910 -1.709 1.00 0.00 C ATOM 954 CG LYS A 62 1.162 -5.904 -2.641 1.00 0.00 C ATOM 955 CD LYS A 62 1.040 -6.974 -3.713 1.00 0.00 C ATOM 956 CE LYS A 62 0.159 -6.513 -4.864 1.00 0.00 C ATOM 957 NZ LYS A 62 -0.405 -7.661 -5.625 1.00 0.00 N ATOM 0 H LYS A 62 -0.942 -6.006 0.585 1.00 0.00 H new ATOM 0 HA LYS A 62 0.889 -4.325 -0.588 1.00 0.00 H new ATOM 0 HB2 LYS A 62 0.004 -6.802 -1.084 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -0.948 -5.979 -2.303 1.00 0.00 H new ATOM 0 HG2 LYS A 62 1.253 -4.925 -3.111 1.00 0.00 H new ATOM 0 HG3 LYS A 62 2.073 -6.067 -2.065 1.00 0.00 H new ATOM 0 HD2 LYS A 62 2.031 -7.227 -4.091 1.00 0.00 H new ATOM 0 HD3 LYS A 62 0.624 -7.882 -3.276 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -0.654 -5.900 -4.476 1.00 0.00 H new ATOM 0 HE3 LYS A 62 0.741 -5.882 -5.536 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -0.999 -7.305 -6.401 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 0.371 -8.232 -6.017 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -0.981 -8.249 -4.990 1.00 0.00 H new ATOM 971 N THR A 63 -2.124 -3.825 -1.883 1.00 0.00 N ATOM 972 CA THR A 63 -2.948 -2.844 -2.576 1.00 0.00 C ATOM 973 C THR A 63 -3.148 -1.594 -1.726 1.00 0.00 C ATOM 974 O THR A 63 -2.683 -0.511 -2.081 1.00 0.00 O ATOM 975 CB THR A 63 -4.326 -3.427 -2.943 1.00 0.00 C ATOM 976 OG1 THR A 63 -4.164 -4.588 -3.765 1.00 0.00 O ATOM 977 CG2 THR A 63 -5.173 -2.396 -3.674 1.00 0.00 C ATOM 0 H THR A 63 -2.591 -4.713 -1.700 1.00 0.00 H new ATOM 0 HA THR A 63 -2.419 -2.577 -3.491 1.00 0.00 H new ATOM 0 HB THR A 63 -4.836 -3.704 -2.020 1.00 0.00 H new ATOM 0 HG1 THR A 63 -5.044 -4.953 -3.992 1.00 0.00 H new ATOM 0 HG21 THR A 63 -6.141 -2.831 -3.923 1.00 0.00 H new ATOM 0 HG22 THR A 63 -5.320 -1.526 -3.034 1.00 0.00 H new ATOM 0 HG23 THR A 63 -4.666 -2.092 -4.590 1.00 0.00 H new ATOM 985 N TRP A 64 -3.840 -1.753 -0.604 1.00 0.00 N ATOM 986 CA TRP A 64 -4.100 -0.636 0.297 1.00 0.00 C ATOM 987 C TRP A 64 -2.892 0.291 0.379 1.00 0.00 C ATOM 988 O TRP A 64 -3.028 1.512 0.297 1.00 0.00 O ATOM 989 CB TRP A 64 -4.458 -1.152 1.692 1.00 0.00 C ATOM 990 CG TRP A 64 -4.997 -0.087 2.599 1.00 0.00 C ATOM 991 CD1 TRP A 64 -6.248 0.461 2.566 1.00 0.00 C ATOM 992 CD2 TRP A 64 -4.302 0.558 3.671 1.00 0.00 C ATOM 993 NE1 TRP A 64 -6.372 1.409 3.553 1.00 0.00 N ATOM 994 CE2 TRP A 64 -5.192 1.486 4.246 1.00 0.00 C ATOM 995 CE3 TRP A 64 -3.016 0.440 4.204 1.00 0.00 C ATOM 996 CZ2 TRP A 64 -4.835 2.291 5.324 1.00 0.00 C ATOM 997 CZ3 TRP A 64 -2.662 1.240 5.274 1.00 0.00 C ATOM 998 CH2 TRP A 64 -3.569 2.155 5.825 1.00 0.00 C ATOM 0 H TRP A 64 -4.231 -2.643 -0.296 1.00 0.00 H new ATOM 0 HA TRP A 64 -4.942 -0.070 -0.101 1.00 0.00 H new ATOM 0 HB2 TRP A 64 -5.197 -1.948 1.599 1.00 0.00 H new ATOM 0 HB3 TRP A 64 -3.571 -1.592 2.147 1.00 0.00 H new ATOM 0 HD1 TRP A 64 -7.025 0.189 1.867 1.00 0.00 H new ATOM 0 HE1 TRP A 64 -7.207 1.965 3.740 1.00 0.00 H new ATOM 0 HE3 TRP A 64 -2.311 -0.264 3.787 1.00 0.00 H new ATOM 0 HZ2 TRP A 64 -5.532 2.998 5.750 1.00 0.00 H new ATOM 0 HZ3 TRP A 64 -1.670 1.159 5.692 1.00 0.00 H new ATOM 0 HH2 TRP A 64 -3.263 2.765 6.662 1.00 0.00 H new ATOM 1009 N TYR A 65 -1.712 -0.297 0.539 1.00 0.00 N ATOM 1010 CA TYR A 65 -0.479 0.477 0.634 1.00 0.00 C ATOM 1011 C TYR A 65 -0.287 1.348 -0.603 1.00 0.00 C ATOM 1012 O TYR A 65 -0.393 2.573 -0.536 1.00 0.00 O ATOM 1013 CB TYR A 65 0.721 -0.455 0.807 1.00 0.00 C ATOM 1014 CG TYR A 65 1.049 -0.758 2.251 1.00 0.00 C ATOM 1015 CD1 TYR A 65 0.067 -1.197 3.130 1.00 0.00 C ATOM 1016 CD2 TYR A 65 2.342 -0.606 2.737 1.00 0.00 C ATOM 1017 CE1 TYR A 65 0.362 -1.474 4.451 1.00 0.00 C ATOM 1018 CE2 TYR A 65 2.647 -0.883 4.056 1.00 0.00 C ATOM 1019 CZ TYR A 65 1.654 -1.316 4.909 1.00 0.00 C ATOM 1020 OH TYR A 65 1.952 -1.593 6.223 1.00 0.00 O ATOM 0 H TYR A 65 -1.583 -1.307 0.606 1.00 0.00 H new ATOM 0 HA TYR A 65 -0.554 1.127 1.506 1.00 0.00 H new ATOM 0 HB2 TYR A 65 0.522 -1.391 0.284 1.00 0.00 H new ATOM 0 HB3 TYR A 65 1.592 -0.004 0.332 1.00 0.00 H new ATOM 0 HD1 TYR A 65 -0.945 -1.324 2.775 1.00 0.00 H new ATOM 0 HD2 TYR A 65 3.122 -0.265 2.072 1.00 0.00 H new ATOM 0 HE1 TYR A 65 -0.414 -1.812 5.121 1.00 0.00 H new ATOM 0 HE2 TYR A 65 3.658 -0.761 4.417 1.00 0.00 H new ATOM 0 HH TYR A 65 2.905 -1.432 6.383 1.00 0.00 H new ATOM 1030 N GLN A 66 -0.004 0.707 -1.733 1.00 0.00 N ATOM 1031 CA GLN A 66 0.204 1.423 -2.986 1.00 0.00 C ATOM 1032 C GLN A 66 -0.723 2.630 -3.083 1.00 0.00 C ATOM 1033 O GLN A 66 -0.277 3.749 -3.333 1.00 0.00 O ATOM 1034 CB GLN A 66 -0.029 0.489 -4.175 1.00 0.00 C ATOM 1035 CG GLN A 66 1.208 -0.296 -4.583 1.00 0.00 C ATOM 1036 CD GLN A 66 0.924 -1.302 -5.681 1.00 0.00 C ATOM 1037 OE1 GLN A 66 0.971 -0.973 -6.867 1.00 0.00 O ATOM 1038 NE2 GLN A 66 0.628 -2.536 -5.291 1.00 0.00 N ATOM 0 H GLN A 66 0.086 -0.306 -1.806 1.00 0.00 H new ATOM 0 HA GLN A 66 1.235 1.777 -3.007 1.00 0.00 H new ATOM 0 HB2 GLN A 66 -0.827 -0.210 -3.926 1.00 0.00 H new ATOM 0 HB3 GLN A 66 -0.374 1.077 -5.026 1.00 0.00 H new ATOM 0 HG2 GLN A 66 1.979 0.397 -4.921 1.00 0.00 H new ATOM 0 HG3 GLN A 66 1.607 -0.817 -3.712 1.00 0.00 H new ATOM 0 HE21 GLN A 66 0.601 -2.764 -4.297 1.00 0.00 H new ATOM 0 HE22 GLN A 66 0.428 -3.256 -5.985 1.00 0.00 H new ATOM 1047 N ASN A 67 -2.016 2.395 -2.884 1.00 0.00 N ATOM 1048 CA ASN A 67 -3.006 3.463 -2.951 1.00 0.00 C ATOM 1049 C ASN A 67 -2.649 4.596 -1.993 1.00 0.00 C ATOM 1050 O ASN A 67 -2.716 5.771 -2.353 1.00 0.00 O ATOM 1051 CB ASN A 67 -4.397 2.919 -2.619 1.00 0.00 C ATOM 1052 CG ASN A 67 -4.983 2.100 -3.753 1.00 0.00 C ATOM 1053 OD1 ASN A 67 -4.678 2.332 -4.923 1.00 0.00 O ATOM 1054 ND2 ASN A 67 -5.829 1.136 -3.411 1.00 0.00 N ATOM 0 H ASN A 67 -2.402 1.474 -2.675 1.00 0.00 H new ATOM 0 HA ASN A 67 -3.010 3.857 -3.967 1.00 0.00 H new ATOM 0 HB2 ASN A 67 -4.339 2.303 -1.722 1.00 0.00 H new ATOM 0 HB3 ASN A 67 -5.065 3.750 -2.392 1.00 0.00 H new ATOM 0 HD21 ASN A 67 -6.255 0.552 -4.131 1.00 0.00 H new ATOM 0 HD22 ASN A 67 -6.053 0.979 -2.428 1.00 0.00 H new ATOM 1061 N ARG A 68 -2.270 4.233 -0.772 1.00 0.00 N ATOM 1062 CA ARG A 68 -1.903 5.219 0.238 1.00 0.00 C ATOM 1063 C ARG A 68 -0.708 6.049 -0.221 1.00 0.00 C ATOM 1064 O ARG A 68 -0.722 7.277 -0.132 1.00 0.00 O ATOM 1065 CB ARG A 68 -1.577 4.526 1.563 1.00 0.00 C ATOM 1066 CG ARG A 68 -2.804 4.029 2.309 1.00 0.00 C ATOM 1067 CD ARG A 68 -3.521 5.166 3.020 1.00 0.00 C ATOM 1068 NE ARG A 68 -4.862 4.782 3.453 1.00 0.00 N ATOM 1069 CZ ARG A 68 -5.644 5.556 4.197 1.00 0.00 C ATOM 1070 NH1 ARG A 68 -5.221 6.750 4.589 1.00 0.00 N ATOM 1071 NH2 ARG A 68 -6.852 5.137 4.551 1.00 0.00 N ATOM 0 H ARG A 68 -2.209 3.264 -0.458 1.00 0.00 H new ATOM 0 HA ARG A 68 -2.753 5.886 0.384 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -0.914 3.683 1.369 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -1.031 5.220 2.201 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -3.487 3.548 1.609 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -2.508 3.273 3.036 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -2.936 5.478 3.885 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -3.588 6.026 2.353 1.00 0.00 H new ATOM 0 HE ARG A 68 -5.217 3.869 3.168 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -4.293 7.076 4.319 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -5.824 7.342 5.160 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -7.181 4.219 4.252 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -7.451 5.733 5.122 1.00 0.00 H new