USER MOD reduce.3.24.130724 H: found=0, std=0, add=411, rem=0, adj=7 USER MOD reduce.3.24.130724 removed 410 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 25 THR OG1 : rot 180:sc= -0.133 USER MOD Single : A 28 GLN :FLIP amide:sc= -1.6! F(o=-2.6,f=-1.6!) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 LYS NZ :NH3+ -152:sc= 0 (180deg=-0.287) USER MOD Single : A 32 MET CE :methyl -149:sc= -3.83! (180deg=-7.09!) USER MOD Single : A 44 GLN : amide:sc= -0.132 K(o=-0.13,f=-0.69) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 HIS : no HD1:sc= -5.6! C(o=-5.6!,f=-7.9!) USER MOD Single : A 53 GLN : amide:sc= -0.0275 X(o=-0.027,f=-0.11) USER MOD Single : A 55 CYS SG : rot 68:sc= -1.19! USER MOD Single : A 58 THR OG1 : rot -158:sc= -1.33! USER MOD Single : A 63 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 MET CE :methyl 164:sc= -1.81 (180deg=-3.11) USER MOD Single : A 70 HIS : no HD1:sc=-0.00612 X(o=-0.0061,f=0) USER MOD Single : A 71 ASN : amide:sc= 0.0403 X(o=0.04,f=0) USER MOD Single : A 72 ASN : amide:sc= -3.25! C(o=-3.3!,f=-3.5!) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 326 N THR A 25 3.552 -5.570 -1.224 1.00 0.00 N ATOM 327 CA THR A 25 2.854 -6.254 -0.148 1.00 0.00 C ATOM 328 C THR A 25 2.111 -5.245 0.731 1.00 0.00 C ATOM 329 O THR A 25 2.457 -4.065 0.755 1.00 0.00 O ATOM 330 CB THR A 25 3.875 -7.094 0.620 1.00 0.00 C ATOM 331 OG1 THR A 25 3.111 -7.710 1.653 1.00 0.00 O ATOM 332 CG2 THR A 25 4.894 -6.234 1.372 1.00 0.00 C ATOM 0 HA THR A 25 2.088 -6.925 -0.537 1.00 0.00 H new ATOM 0 HB THR A 25 4.398 -7.753 -0.073 1.00 0.00 H new ATOM 0 HG1 THR A 25 3.696 -8.276 2.199 1.00 0.00 H new ATOM 0 HG21 THR A 25 5.596 -6.880 1.900 1.00 0.00 H new ATOM 0 HG22 THR A 25 5.438 -5.611 0.662 1.00 0.00 H new ATOM 0 HG23 THR A 25 4.375 -5.599 2.089 1.00 0.00 H new ATOM 340 N ALA A 26 1.105 -5.747 1.431 1.00 0.00 N ATOM 341 CA ALA A 26 0.311 -4.905 2.310 1.00 0.00 C ATOM 342 C ALA A 26 1.221 -3.875 2.981 1.00 0.00 C ATOM 343 O ALA A 26 0.998 -2.671 2.860 1.00 0.00 O ATOM 344 CB ALA A 26 -0.428 -5.780 3.325 1.00 0.00 C ATOM 0 H ALA A 26 0.821 -6.726 1.408 1.00 0.00 H new ATOM 0 HA ALA A 26 -0.442 -4.359 1.742 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -1.024 -5.149 3.984 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -1.083 -6.474 2.798 1.00 0.00 H new ATOM 0 HB3 ALA A 26 0.295 -6.341 3.916 1.00 0.00 H new ATOM 350 N GLU A 27 2.228 -4.385 3.675 1.00 0.00 N ATOM 351 CA GLU A 27 3.173 -3.524 4.366 1.00 0.00 C ATOM 352 C GLU A 27 3.553 -2.335 3.481 1.00 0.00 C ATOM 353 O GLU A 27 3.274 -1.187 3.824 1.00 0.00 O ATOM 354 CB GLU A 27 4.416 -4.307 4.795 1.00 0.00 C ATOM 355 CG GLU A 27 4.674 -4.146 6.295 1.00 0.00 C ATOM 356 CD GLU A 27 5.347 -5.393 6.872 1.00 0.00 C ATOM 357 OE1 GLU A 27 6.505 -5.647 6.477 1.00 0.00 O ATOM 358 OE2 GLU A 27 4.688 -6.064 7.696 1.00 0.00 O ATOM 0 H GLU A 27 2.410 -5.384 3.774 1.00 0.00 H new ATOM 0 HA GLU A 27 2.695 -3.143 5.268 1.00 0.00 H new ATOM 0 HB2 GLU A 27 4.286 -5.362 4.556 1.00 0.00 H new ATOM 0 HB3 GLU A 27 5.282 -3.957 4.234 1.00 0.00 H new ATOM 0 HG2 GLU A 27 5.306 -3.275 6.468 1.00 0.00 H new ATOM 0 HG3 GLU A 27 3.732 -3.964 6.812 1.00 0.00 H new ATOM 365 N GLN A 28 4.184 -2.651 2.359 1.00 0.00 N ATOM 366 CA GLN A 28 4.605 -1.623 1.423 1.00 0.00 C ATOM 367 C GLN A 28 3.482 -0.606 1.210 1.00 0.00 C ATOM 368 O GLN A 28 3.679 0.592 1.408 1.00 0.00 O ATOM 369 CB GLN A 28 5.045 -2.240 0.093 1.00 0.00 C ATOM 370 CG GLN A 28 6.534 -1.991 -0.160 1.00 0.00 C ATOM 371 CD GLN A 28 7.143 -3.118 -0.997 1.00 0.00 C ATOM 372 OE1 GLN A 28 8.466 -3.053 -1.111 1.00 0.00 O flip ATOM 373 NE2 GLN A 28 6.456 -3.990 -1.505 1.00 0.00 N flip ATOM 0 H GLN A 28 4.414 -3.604 2.078 1.00 0.00 H new ATOM 0 HA GLN A 28 5.464 -1.103 1.847 1.00 0.00 H new ATOM 0 HB2 GLN A 28 4.848 -3.312 0.102 1.00 0.00 H new ATOM 0 HB3 GLN A 28 4.458 -1.815 -0.721 1.00 0.00 H new ATOM 0 HG2 GLN A 28 6.665 -1.039 -0.675 1.00 0.00 H new ATOM 0 HG3 GLN A 28 7.060 -1.914 0.791 1.00 0.00 H new ATOM 0 HE21 GLN A 28 5.444 -3.981 -1.378 1.00 0.00 H new ATOM 0 HE22 GLN A 28 6.894 -4.728 -2.057 1.00 0.00 H new ATOM 382 N LYS A 29 2.329 -1.121 0.810 1.00 0.00 N ATOM 383 CA LYS A 29 1.174 -0.273 0.568 1.00 0.00 C ATOM 384 C LYS A 29 0.960 0.645 1.773 1.00 0.00 C ATOM 385 O LYS A 29 1.123 1.860 1.669 1.00 0.00 O ATOM 386 CB LYS A 29 -0.050 -1.122 0.217 1.00 0.00 C ATOM 387 CG LYS A 29 0.214 -1.979 -1.022 1.00 0.00 C ATOM 388 CD LYS A 29 -0.672 -3.225 -1.026 1.00 0.00 C ATOM 389 CE LYS A 29 -1.950 -2.988 -1.834 1.00 0.00 C ATOM 390 NZ LYS A 29 -2.753 -4.228 -1.911 1.00 0.00 N ATOM 0 H LYS A 29 2.170 -2.115 0.647 1.00 0.00 H new ATOM 0 HA LYS A 29 1.347 0.369 -0.296 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -0.305 -1.764 1.060 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -0.908 -0.474 0.039 1.00 0.00 H new ATOM 0 HG2 LYS A 29 0.026 -1.392 -1.921 1.00 0.00 H new ATOM 0 HG3 LYS A 29 1.263 -2.274 -1.047 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -0.121 -4.066 -1.448 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -0.930 -3.495 -0.002 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -2.538 -2.195 -1.371 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -1.695 -2.650 -2.838 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -3.616 -4.049 -2.463 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -2.195 -4.975 -2.373 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -3.013 -4.534 -0.951 1.00 0.00 H new ATOM 404 N GLU A 30 0.599 0.030 2.890 1.00 0.00 N ATOM 405 CA GLU A 30 0.362 0.777 4.113 1.00 0.00 C ATOM 406 C GLU A 30 1.506 1.761 4.365 1.00 0.00 C ATOM 407 O GLU A 30 1.270 2.930 4.665 1.00 0.00 O ATOM 408 CB GLU A 30 0.176 -0.165 5.304 1.00 0.00 C ATOM 409 CG GLU A 30 -1.055 -1.054 5.114 1.00 0.00 C ATOM 410 CD GLU A 30 -1.658 -1.451 6.463 1.00 0.00 C ATOM 411 OE1 GLU A 30 -1.070 -2.349 7.104 1.00 0.00 O ATOM 412 OE2 GLU A 30 -2.692 -0.849 6.821 1.00 0.00 O ATOM 0 H GLU A 30 0.465 -0.978 2.973 1.00 0.00 H new ATOM 0 HA GLU A 30 -0.560 1.346 3.995 1.00 0.00 H new ATOM 0 HB2 GLU A 30 1.063 -0.787 5.422 1.00 0.00 H new ATOM 0 HB3 GLU A 30 0.071 0.417 6.219 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -1.801 -0.526 4.519 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -0.779 -1.950 4.557 1.00 0.00 H new ATOM 419 N LYS A 31 2.722 1.250 4.234 1.00 0.00 N ATOM 420 CA LYS A 31 3.904 2.069 4.444 1.00 0.00 C ATOM 421 C LYS A 31 3.830 3.304 3.544 1.00 0.00 C ATOM 422 O LYS A 31 4.042 4.425 4.003 1.00 0.00 O ATOM 423 CB LYS A 31 5.173 1.239 4.245 1.00 0.00 C ATOM 424 CG LYS A 31 5.740 0.773 5.588 1.00 0.00 C ATOM 425 CD LYS A 31 5.768 -0.754 5.671 1.00 0.00 C ATOM 426 CE LYS A 31 7.206 -1.278 5.644 1.00 0.00 C ATOM 427 NZ LYS A 31 7.601 -1.778 6.979 1.00 0.00 N ATOM 0 H LYS A 31 2.914 0.280 3.985 1.00 0.00 H new ATOM 0 HA LYS A 31 3.942 2.426 5.473 1.00 0.00 H new ATOM 0 HB2 LYS A 31 4.952 0.374 3.620 1.00 0.00 H new ATOM 0 HB3 LYS A 31 5.920 1.831 3.717 1.00 0.00 H new ATOM 0 HG2 LYS A 31 6.748 1.166 5.717 1.00 0.00 H new ATOM 0 HG3 LYS A 31 5.135 1.174 6.401 1.00 0.00 H new ATOM 0 HD2 LYS A 31 5.275 -1.081 6.586 1.00 0.00 H new ATOM 0 HD3 LYS A 31 5.207 -1.178 4.838 1.00 0.00 H new ATOM 0 HE2 LYS A 31 7.294 -2.078 4.909 1.00 0.00 H new ATOM 0 HE3 LYS A 31 7.883 -0.483 5.332 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 8.630 -1.683 7.095 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 7.117 -1.224 7.714 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 7.333 -2.779 7.068 1.00 0.00 H new ATOM 441 N MET A 32 3.528 3.057 2.277 1.00 0.00 N ATOM 442 CA MET A 32 3.424 4.134 1.309 1.00 0.00 C ATOM 443 C MET A 32 2.321 5.120 1.702 1.00 0.00 C ATOM 444 O MET A 32 2.544 6.329 1.726 1.00 0.00 O ATOM 445 CB MET A 32 3.119 3.552 -0.073 1.00 0.00 C ATOM 446 CG MET A 32 4.367 2.915 -0.687 1.00 0.00 C ATOM 447 SD MET A 32 3.944 1.363 -1.460 1.00 0.00 S ATOM 448 CE MET A 32 4.218 1.784 -3.172 1.00 0.00 C ATOM 0 H MET A 32 3.352 2.126 1.899 1.00 0.00 H new ATOM 0 HA MET A 32 4.373 4.669 1.286 1.00 0.00 H new ATOM 0 HB2 MET A 32 2.328 2.806 0.009 1.00 0.00 H new ATOM 0 HB3 MET A 32 2.748 4.339 -0.729 1.00 0.00 H new ATOM 0 HG2 MET A 32 4.805 3.590 -1.423 1.00 0.00 H new ATOM 0 HG3 MET A 32 5.120 2.753 0.085 1.00 0.00 H new ATOM 0 HE1 MET A 32 3.535 1.213 -3.801 1.00 0.00 H new ATOM 0 HE2 MET A 32 4.041 2.850 -3.317 1.00 0.00 H new ATOM 0 HE3 MET A 32 5.246 1.546 -3.445 1.00 0.00 H new ATOM 458 N LEU A 33 1.155 4.566 1.999 1.00 0.00 N ATOM 459 CA LEU A 33 0.017 5.381 2.390 1.00 0.00 C ATOM 460 C LEU A 33 0.479 6.453 3.379 1.00 0.00 C ATOM 461 O LEU A 33 0.142 7.626 3.230 1.00 0.00 O ATOM 462 CB LEU A 33 -1.115 4.500 2.922 1.00 0.00 C ATOM 463 CG LEU A 33 -2.190 4.104 1.907 1.00 0.00 C ATOM 464 CD1 LEU A 33 -3.232 5.213 1.750 1.00 0.00 C ATOM 465 CD2 LEU A 33 -1.561 3.715 0.567 1.00 0.00 C ATOM 0 H LEU A 33 0.973 3.563 1.977 1.00 0.00 H new ATOM 0 HA LEU A 33 -0.395 5.901 1.525 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -0.678 3.590 3.333 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -1.598 5.022 3.748 1.00 0.00 H new ATOM 0 HG LEU A 33 -2.711 3.225 2.287 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -3.984 4.906 1.023 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -3.711 5.401 2.711 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -2.744 6.124 1.404 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -2.346 3.438 -0.137 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -0.999 4.560 0.170 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -0.889 2.869 0.712 1.00 0.00 H new ATOM 477 N ALA A 34 1.242 6.011 4.368 1.00 0.00 N ATOM 478 CA ALA A 34 1.754 6.917 5.381 1.00 0.00 C ATOM 479 C ALA A 34 2.884 7.758 4.784 1.00 0.00 C ATOM 480 O ALA A 34 2.799 8.985 4.751 1.00 0.00 O ATOM 481 CB ALA A 34 2.207 6.115 6.603 1.00 0.00 C ATOM 0 H ALA A 34 1.518 5.037 4.489 1.00 0.00 H new ATOM 0 HA ALA A 34 0.973 7.602 5.712 1.00 0.00 H new ATOM 0 HB1 ALA A 34 2.591 6.796 7.363 1.00 0.00 H new ATOM 0 HB2 ALA A 34 1.361 5.560 7.008 1.00 0.00 H new ATOM 0 HB3 ALA A 34 2.992 5.418 6.310 1.00 0.00 H new ATOM 487 N PHE A 35 3.916 7.065 4.327 1.00 0.00 N ATOM 488 CA PHE A 35 5.062 7.732 3.732 1.00 0.00 C ATOM 489 C PHE A 35 4.621 8.924 2.880 1.00 0.00 C ATOM 490 O PHE A 35 5.002 10.061 3.152 1.00 0.00 O ATOM 491 CB PHE A 35 5.760 6.709 2.834 1.00 0.00 C ATOM 492 CG PHE A 35 7.247 6.988 2.612 1.00 0.00 C ATOM 493 CD1 PHE A 35 8.132 6.814 3.630 1.00 0.00 C ATOM 494 CD2 PHE A 35 7.685 7.411 1.396 1.00 0.00 C ATOM 495 CE1 PHE A 35 9.512 7.074 3.424 1.00 0.00 C ATOM 496 CE2 PHE A 35 9.066 7.670 1.189 1.00 0.00 C ATOM 497 CZ PHE A 35 9.950 7.496 2.208 1.00 0.00 C ATOM 0 H PHE A 35 3.983 6.048 4.357 1.00 0.00 H new ATOM 0 HA PHE A 35 5.723 8.104 4.515 1.00 0.00 H new ATOM 0 HB2 PHE A 35 5.649 5.718 3.275 1.00 0.00 H new ATOM 0 HB3 PHE A 35 5.257 6.686 1.867 1.00 0.00 H new ATOM 0 HD1 PHE A 35 7.784 6.478 4.596 1.00 0.00 H new ATOM 0 HD2 PHE A 35 6.983 7.550 0.588 1.00 0.00 H new ATOM 0 HE1 PHE A 35 10.214 6.937 4.233 1.00 0.00 H new ATOM 0 HE2 PHE A 35 9.414 8.005 0.223 1.00 0.00 H new ATOM 0 HZ PHE A 35 11.000 7.693 2.051 1.00 0.00 H new ATOM 507 N ALA A 36 3.823 8.622 1.866 1.00 0.00 N ATOM 508 CA ALA A 36 3.326 9.655 0.973 1.00 0.00 C ATOM 509 C ALA A 36 2.633 10.744 1.794 1.00 0.00 C ATOM 510 O ALA A 36 2.967 11.922 1.675 1.00 0.00 O ATOM 511 CB ALA A 36 2.394 9.026 -0.066 1.00 0.00 C ATOM 0 H ALA A 36 3.509 7.678 1.643 1.00 0.00 H new ATOM 0 HA ALA A 36 4.149 10.124 0.433 1.00 0.00 H new ATOM 0 HB1 ALA A 36 2.021 9.800 -0.736 1.00 0.00 H new ATOM 0 HB2 ALA A 36 2.942 8.281 -0.642 1.00 0.00 H new ATOM 0 HB3 ALA A 36 1.555 8.549 0.440 1.00 0.00 H new ATOM 517 N GLU A 37 1.682 10.312 2.608 1.00 0.00 N ATOM 518 CA GLU A 37 0.939 11.236 3.449 1.00 0.00 C ATOM 519 C GLU A 37 1.898 12.186 4.169 1.00 0.00 C ATOM 520 O GLU A 37 1.586 13.360 4.360 1.00 0.00 O ATOM 521 CB GLU A 37 0.060 10.482 4.449 1.00 0.00 C ATOM 522 CG GLU A 37 -1.367 10.331 3.919 1.00 0.00 C ATOM 523 CD GLU A 37 -2.101 11.674 3.930 1.00 0.00 C ATOM 524 OE1 GLU A 37 -1.743 12.522 3.085 1.00 0.00 O ATOM 525 OE2 GLU A 37 -3.002 11.821 4.783 1.00 0.00 O ATOM 0 H GLU A 37 1.408 9.334 2.704 1.00 0.00 H new ATOM 0 HA GLU A 37 0.282 11.828 2.812 1.00 0.00 H new ATOM 0 HB2 GLU A 37 0.486 9.498 4.643 1.00 0.00 H new ATOM 0 HB3 GLU A 37 0.044 11.015 5.399 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -1.342 9.935 2.904 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -1.911 9.610 4.529 1.00 0.00 H new ATOM 532 N ARG A 38 3.045 11.642 4.548 1.00 0.00 N ATOM 533 CA ARG A 38 4.052 12.427 5.243 1.00 0.00 C ATOM 534 C ARG A 38 4.712 13.415 4.280 1.00 0.00 C ATOM 535 O ARG A 38 4.846 14.597 4.593 1.00 0.00 O ATOM 536 CB ARG A 38 5.126 11.526 5.855 1.00 0.00 C ATOM 537 CG ARG A 38 4.522 10.211 6.352 1.00 0.00 C ATOM 538 CD ARG A 38 5.063 9.848 7.736 1.00 0.00 C ATOM 539 NE ARG A 38 4.977 11.019 8.637 1.00 0.00 N ATOM 540 CZ ARG A 38 5.527 11.070 9.858 1.00 0.00 C ATOM 541 NH1 ARG A 38 6.206 10.016 10.331 1.00 0.00 N ATOM 542 NH2 ARG A 38 5.398 12.174 10.605 1.00 0.00 N ATOM 0 H ARG A 38 3.300 10.667 4.387 1.00 0.00 H new ATOM 0 HA ARG A 38 3.553 12.973 6.043 1.00 0.00 H new ATOM 0 HB2 ARG A 38 5.897 11.318 5.113 1.00 0.00 H new ATOM 0 HB3 ARG A 38 5.611 12.043 6.683 1.00 0.00 H new ATOM 0 HG2 ARG A 38 3.436 10.298 6.393 1.00 0.00 H new ATOM 0 HG3 ARG A 38 4.751 9.412 5.647 1.00 0.00 H new ATOM 0 HD2 ARG A 38 4.493 9.017 8.151 1.00 0.00 H new ATOM 0 HD3 ARG A 38 6.098 9.516 7.655 1.00 0.00 H new ATOM 0 HE ARG A 38 4.467 11.839 8.308 1.00 0.00 H new ATOM 0 HH11 ARG A 38 6.304 9.175 9.762 1.00 0.00 H new ATOM 0 HH12 ARG A 38 6.625 10.054 11.260 1.00 0.00 H new ATOM 0 HH21 ARG A 38 4.881 12.976 10.245 1.00 0.00 H new ATOM 0 HH22 ARG A 38 5.817 12.213 11.534 1.00 0.00 H new ATOM 556 N LEU A 39 5.108 12.894 3.127 1.00 0.00 N ATOM 557 CA LEU A 39 5.752 13.716 2.117 1.00 0.00 C ATOM 558 C LEU A 39 4.690 14.537 1.381 1.00 0.00 C ATOM 559 O LEU A 39 5.012 15.306 0.477 1.00 0.00 O ATOM 560 CB LEU A 39 6.611 12.853 1.191 1.00 0.00 C ATOM 561 CG LEU A 39 7.296 11.649 1.842 1.00 0.00 C ATOM 562 CD1 LEU A 39 6.974 10.359 1.084 1.00 0.00 C ATOM 563 CD2 LEU A 39 8.803 11.878 1.970 1.00 0.00 C ATOM 0 H LEU A 39 4.995 11.913 2.871 1.00 0.00 H new ATOM 0 HA LEU A 39 6.438 14.424 2.583 1.00 0.00 H new ATOM 0 HB2 LEU A 39 5.983 12.492 0.377 1.00 0.00 H new ATOM 0 HB3 LEU A 39 7.379 13.486 0.745 1.00 0.00 H new ATOM 0 HG LEU A 39 6.901 11.536 2.852 1.00 0.00 H new ATOM 0 HD11 LEU A 39 7.473 9.519 1.567 1.00 0.00 H new ATOM 0 HD12 LEU A 39 5.897 10.193 1.089 1.00 0.00 H new ATOM 0 HD13 LEU A 39 7.323 10.445 0.055 1.00 0.00 H new ATOM 0 HD21 LEU A 39 9.265 11.007 2.436 1.00 0.00 H new ATOM 0 HD22 LEU A 39 9.233 12.031 0.980 1.00 0.00 H new ATOM 0 HD23 LEU A 39 8.986 12.759 2.586 1.00 0.00 H new ATOM 575 N GLY A 40 3.447 14.346 1.797 1.00 0.00 N ATOM 576 CA GLY A 40 2.336 15.059 1.189 1.00 0.00 C ATOM 577 C GLY A 40 2.058 14.539 -0.222 1.00 0.00 C ATOM 578 O GLY A 40 1.541 15.270 -1.066 1.00 0.00 O ATOM 0 H GLY A 40 3.184 13.708 2.548 1.00 0.00 H new ATOM 0 HA2 GLY A 40 1.444 14.944 1.805 1.00 0.00 H new ATOM 0 HA3 GLY A 40 2.561 16.125 1.150 1.00 0.00 H new ATOM 582 N TRP A 41 2.413 13.280 -0.436 1.00 0.00 N ATOM 583 CA TRP A 41 2.208 12.654 -1.731 1.00 0.00 C ATOM 584 C TRP A 41 3.127 13.345 -2.741 1.00 0.00 C ATOM 585 O TRP A 41 2.852 13.339 -3.940 1.00 0.00 O ATOM 586 CB TRP A 41 0.733 12.701 -2.135 1.00 0.00 C ATOM 587 CG TRP A 41 -0.191 11.901 -1.214 1.00 0.00 C ATOM 588 CD1 TRP A 41 -0.895 12.346 -0.164 1.00 0.00 C ATOM 589 CD2 TRP A 41 -0.483 10.491 -1.303 1.00 0.00 C ATOM 590 NE1 TRP A 41 -1.617 11.329 0.428 1.00 0.00 N ATOM 591 CE2 TRP A 41 -1.359 10.165 -0.287 1.00 0.00 C ATOM 592 CE3 TRP A 41 -0.023 9.522 -2.212 1.00 0.00 C ATOM 593 CZ2 TRP A 41 -1.850 8.870 -0.084 1.00 0.00 C ATOM 594 CZ3 TRP A 41 -0.523 8.232 -1.995 1.00 0.00 C ATOM 595 CH2 TRP A 41 -1.405 7.888 -0.977 1.00 0.00 C ATOM 0 H TRP A 41 2.841 12.677 0.266 1.00 0.00 H new ATOM 0 HA TRP A 41 2.466 11.596 -1.693 1.00 0.00 H new ATOM 0 HB2 TRP A 41 0.404 13.740 -2.149 1.00 0.00 H new ATOM 0 HB3 TRP A 41 0.633 12.321 -3.152 1.00 0.00 H new ATOM 0 HD1 TRP A 41 -0.897 13.371 0.176 1.00 0.00 H new ATOM 0 HE1 TRP A 41 -2.227 11.416 1.241 1.00 0.00 H new ATOM 0 HE3 TRP A 41 0.662 9.754 -3.014 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 -2.535 8.641 0.719 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 -0.201 7.449 -2.666 1.00 0.00 H new ATOM 0 HH2 TRP A 41 -1.745 6.868 -0.876 1.00 0.00 H new ATOM 606 N ARG A 42 4.198 13.922 -2.219 1.00 0.00 N ATOM 607 CA ARG A 42 5.159 14.616 -3.060 1.00 0.00 C ATOM 608 C ARG A 42 6.573 14.451 -2.497 1.00 0.00 C ATOM 609 O ARG A 42 6.764 14.444 -1.282 1.00 0.00 O ATOM 610 CB ARG A 42 4.828 16.106 -3.161 1.00 0.00 C ATOM 611 CG ARG A 42 4.915 16.781 -1.791 1.00 0.00 C ATOM 612 CD ARG A 42 4.988 18.303 -1.933 1.00 0.00 C ATOM 613 NE ARG A 42 4.163 18.949 -0.887 1.00 0.00 N ATOM 614 CZ ARG A 42 3.971 20.272 -0.792 1.00 0.00 C ATOM 615 NH1 ARG A 42 4.543 21.097 -1.680 1.00 0.00 N ATOM 616 NH2 ARG A 42 3.208 20.769 0.190 1.00 0.00 N ATOM 0 H ARG A 42 4.422 13.924 -1.224 1.00 0.00 H new ATOM 0 HA ARG A 42 5.107 14.176 -4.056 1.00 0.00 H new ATOM 0 HB2 ARG A 42 5.518 16.589 -3.853 1.00 0.00 H new ATOM 0 HB3 ARG A 42 3.826 16.233 -3.570 1.00 0.00 H new ATOM 0 HG2 ARG A 42 4.046 16.509 -1.192 1.00 0.00 H new ATOM 0 HG3 ARG A 42 5.795 16.419 -1.259 1.00 0.00 H new ATOM 0 HD2 ARG A 42 6.023 18.635 -1.849 1.00 0.00 H new ATOM 0 HD3 ARG A 42 4.637 18.602 -2.921 1.00 0.00 H new ATOM 0 HE ARG A 42 3.713 18.350 -0.195 1.00 0.00 H new ATOM 0 HH11 ARG A 42 5.124 20.718 -2.428 1.00 0.00 H new ATOM 0 HH12 ARG A 42 4.397 22.104 -1.608 1.00 0.00 H new ATOM 0 HH21 ARG A 42 2.773 20.141 0.866 1.00 0.00 H new ATOM 0 HH22 ARG A 42 3.062 21.776 0.262 1.00 0.00 H new ATOM 630 N ILE A 43 7.526 14.323 -3.408 1.00 0.00 N ATOM 631 CA ILE A 43 8.916 14.160 -3.019 1.00 0.00 C ATOM 632 C ILE A 43 9.685 15.444 -3.335 1.00 0.00 C ATOM 633 O ILE A 43 9.409 16.107 -4.334 1.00 0.00 O ATOM 634 CB ILE A 43 9.512 12.910 -3.670 1.00 0.00 C ATOM 635 CG1 ILE A 43 8.770 11.650 -3.220 1.00 0.00 C ATOM 636 CG2 ILE A 43 11.016 12.816 -3.404 1.00 0.00 C ATOM 637 CD1 ILE A 43 8.925 10.526 -4.246 1.00 0.00 C ATOM 0 H ILE A 43 7.363 14.329 -4.415 1.00 0.00 H new ATOM 0 HA ILE A 43 8.993 13.999 -1.944 1.00 0.00 H new ATOM 0 HB ILE A 43 9.381 12.992 -4.749 1.00 0.00 H new ATOM 0 HG12 ILE A 43 9.156 11.322 -2.255 1.00 0.00 H new ATOM 0 HG13 ILE A 43 7.713 11.877 -3.080 1.00 0.00 H new ATOM 0 HG21 ILE A 43 11.414 11.919 -3.878 1.00 0.00 H new ATOM 0 HG22 ILE A 43 11.514 13.694 -3.815 1.00 0.00 H new ATOM 0 HG23 ILE A 43 11.193 12.768 -2.330 1.00 0.00 H new ATOM 0 HD11 ILE A 43 8.388 9.642 -3.901 1.00 0.00 H new ATOM 0 HD12 ILE A 43 8.516 10.849 -5.204 1.00 0.00 H new ATOM 0 HD13 ILE A 43 9.981 10.285 -4.365 1.00 0.00 H new ATOM 649 N GLN A 44 10.634 15.757 -2.465 1.00 0.00 N ATOM 650 CA GLN A 44 11.445 16.950 -2.640 1.00 0.00 C ATOM 651 C GLN A 44 12.930 16.584 -2.671 1.00 0.00 C ATOM 652 O GLN A 44 13.282 15.405 -2.679 1.00 0.00 O ATOM 653 CB GLN A 44 11.156 17.975 -1.540 1.00 0.00 C ATOM 654 CG GLN A 44 9.759 18.575 -1.704 1.00 0.00 C ATOM 655 CD GLN A 44 9.756 20.064 -1.349 1.00 0.00 C ATOM 656 OE1 GLN A 44 10.654 20.813 -1.696 1.00 0.00 O ATOM 657 NE2 GLN A 44 8.700 20.448 -0.638 1.00 0.00 N ATOM 0 H GLN A 44 10.859 15.205 -1.637 1.00 0.00 H new ATOM 0 HA GLN A 44 11.184 17.406 -3.595 1.00 0.00 H new ATOM 0 HB2 GLN A 44 11.239 17.499 -0.563 1.00 0.00 H new ATOM 0 HB3 GLN A 44 11.903 18.768 -1.572 1.00 0.00 H new ATOM 0 HG2 GLN A 44 9.421 18.442 -2.732 1.00 0.00 H new ATOM 0 HG3 GLN A 44 9.054 18.044 -1.065 1.00 0.00 H new ATOM 0 HE21 GLN A 44 7.984 19.769 -0.381 1.00 0.00 H new ATOM 0 HE22 GLN A 44 8.606 21.422 -0.350 1.00 0.00 H new ATOM 666 N LYS A 45 13.761 17.615 -2.687 1.00 0.00 N ATOM 667 CA LYS A 45 15.200 17.416 -2.717 1.00 0.00 C ATOM 668 C LYS A 45 15.691 17.058 -1.313 1.00 0.00 C ATOM 669 O LYS A 45 16.860 16.726 -1.126 1.00 0.00 O ATOM 670 CB LYS A 45 15.898 18.637 -3.320 1.00 0.00 C ATOM 671 CG LYS A 45 16.390 19.584 -2.223 1.00 0.00 C ATOM 672 CD LYS A 45 16.312 21.042 -2.682 1.00 0.00 C ATOM 673 CE LYS A 45 16.482 21.999 -1.501 1.00 0.00 C ATOM 674 NZ LYS A 45 16.247 23.396 -1.927 1.00 0.00 N ATOM 0 H LYS A 45 13.466 18.591 -2.680 1.00 0.00 H new ATOM 0 HA LYS A 45 15.455 16.579 -3.367 1.00 0.00 H new ATOM 0 HB2 LYS A 45 16.741 18.314 -3.931 1.00 0.00 H new ATOM 0 HB3 LYS A 45 15.210 19.165 -3.980 1.00 0.00 H new ATOM 0 HG2 LYS A 45 15.788 19.449 -1.324 1.00 0.00 H new ATOM 0 HG3 LYS A 45 17.418 19.337 -1.958 1.00 0.00 H new ATOM 0 HD2 LYS A 45 17.086 21.235 -3.425 1.00 0.00 H new ATOM 0 HD3 LYS A 45 15.353 21.224 -3.166 1.00 0.00 H new ATOM 0 HE2 LYS A 45 15.785 21.733 -0.707 1.00 0.00 H new ATOM 0 HE3 LYS A 45 17.487 21.902 -1.089 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 16.367 24.032 -1.113 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 16.929 23.652 -2.669 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 15.280 23.488 -2.299 1.00 0.00 H new ATOM 688 N HIS A 46 14.772 17.139 -0.362 1.00 0.00 N ATOM 689 CA HIS A 46 15.097 16.828 1.020 1.00 0.00 C ATOM 690 C HIS A 46 14.562 15.438 1.372 1.00 0.00 C ATOM 691 O HIS A 46 15.067 14.789 2.287 1.00 0.00 O ATOM 692 CB HIS A 46 14.577 17.919 1.959 1.00 0.00 C ATOM 693 CG HIS A 46 13.075 17.931 2.114 1.00 0.00 C ATOM 694 ND1 HIS A 46 12.233 18.550 1.207 1.00 0.00 N ATOM 695 CD2 HIS A 46 12.274 17.393 3.078 1.00 0.00 C ATOM 696 CE1 HIS A 46 10.983 18.387 1.618 1.00 0.00 C ATOM 697 NE2 HIS A 46 11.011 17.670 2.778 1.00 0.00 N ATOM 0 H HIS A 46 13.803 17.415 -0.521 1.00 0.00 H new ATOM 0 HA HIS A 46 16.179 16.806 1.147 1.00 0.00 H new ATOM 0 HB2 HIS A 46 15.032 17.787 2.940 1.00 0.00 H new ATOM 0 HB3 HIS A 46 14.901 18.890 1.586 1.00 0.00 H new ATOM 0 HD2 HIS A 46 12.611 16.836 3.940 1.00 0.00 H new ATOM 0 HE1 HIS A 46 10.098 18.757 1.122 1.00 0.00 H new ATOM 0 HE2 HIS A 46 10.196 17.392 3.325 1.00 0.00 H new ATOM 705 N ASP A 47 13.548 15.023 0.628 1.00 0.00 N ATOM 706 CA ASP A 47 12.940 13.722 0.850 1.00 0.00 C ATOM 707 C ASP A 47 13.775 12.647 0.151 1.00 0.00 C ATOM 708 O ASP A 47 13.574 11.455 0.377 1.00 0.00 O ATOM 709 CB ASP A 47 11.524 13.670 0.273 1.00 0.00 C ATOM 710 CG ASP A 47 10.628 14.851 0.652 1.00 0.00 C ATOM 711 OD1 ASP A 47 10.844 15.395 1.756 1.00 0.00 O ATOM 712 OD2 ASP A 47 9.746 15.181 -0.170 1.00 0.00 O ATOM 0 H ASP A 47 13.132 15.565 -0.129 1.00 0.00 H new ATOM 0 HA ASP A 47 12.898 13.549 1.925 1.00 0.00 H new ATOM 0 HB2 ASP A 47 11.592 13.619 -0.814 1.00 0.00 H new ATOM 0 HB3 ASP A 47 11.046 12.749 0.606 1.00 0.00 H new ATOM 717 N ASP A 48 14.695 13.108 -0.684 1.00 0.00 N ATOM 718 CA ASP A 48 15.562 12.201 -1.417 1.00 0.00 C ATOM 719 C ASP A 48 16.118 11.146 -0.458 1.00 0.00 C ATOM 720 O ASP A 48 16.329 9.999 -0.847 1.00 0.00 O ATOM 721 CB ASP A 48 16.745 12.949 -2.035 1.00 0.00 C ATOM 722 CG ASP A 48 17.399 12.250 -3.228 1.00 0.00 C ATOM 723 OD1 ASP A 48 16.670 11.507 -3.921 1.00 0.00 O ATOM 724 OD2 ASP A 48 18.614 12.474 -3.421 1.00 0.00 O ATOM 0 H ASP A 48 14.859 14.098 -0.869 1.00 0.00 H new ATOM 0 HA ASP A 48 14.973 11.739 -2.210 1.00 0.00 H new ATOM 0 HB2 ASP A 48 16.406 13.935 -2.352 1.00 0.00 H new ATOM 0 HB3 ASP A 48 17.500 13.104 -1.265 1.00 0.00 H new ATOM 729 N VAL A 49 16.338 11.573 0.777 1.00 0.00 N ATOM 730 CA VAL A 49 16.865 10.680 1.794 1.00 0.00 C ATOM 731 C VAL A 49 15.797 9.650 2.165 1.00 0.00 C ATOM 732 O VAL A 49 15.922 8.473 1.831 1.00 0.00 O ATOM 733 CB VAL A 49 17.359 11.489 2.996 1.00 0.00 C ATOM 734 CG1 VAL A 49 18.053 10.585 4.017 1.00 0.00 C ATOM 735 CG2 VAL A 49 18.283 12.624 2.550 1.00 0.00 C ATOM 0 H VAL A 49 16.161 12.526 1.096 1.00 0.00 H new ATOM 0 HA VAL A 49 17.726 10.132 1.412 1.00 0.00 H new ATOM 0 HB VAL A 49 16.490 11.935 3.480 1.00 0.00 H new ATOM 0 HG11 VAL A 49 18.394 11.184 4.861 1.00 0.00 H new ATOM 0 HG12 VAL A 49 17.352 9.829 4.369 1.00 0.00 H new ATOM 0 HG13 VAL A 49 18.908 10.097 3.549 1.00 0.00 H new ATOM 0 HG21 VAL A 49 18.620 13.183 3.423 1.00 0.00 H new ATOM 0 HG22 VAL A 49 19.146 12.208 2.030 1.00 0.00 H new ATOM 0 HG23 VAL A 49 17.742 13.291 1.878 1.00 0.00 H new ATOM 745 N ALA A 50 14.770 10.130 2.852 1.00 0.00 N ATOM 746 CA ALA A 50 13.681 9.265 3.272 1.00 0.00 C ATOM 747 C ALA A 50 13.306 8.329 2.122 1.00 0.00 C ATOM 748 O ALA A 50 13.107 7.133 2.330 1.00 0.00 O ATOM 749 CB ALA A 50 12.500 10.120 3.736 1.00 0.00 C ATOM 0 H ALA A 50 14.670 11.107 3.128 1.00 0.00 H new ATOM 0 HA ALA A 50 13.987 8.645 4.115 1.00 0.00 H new ATOM 0 HB1 ALA A 50 11.683 9.471 4.051 1.00 0.00 H new ATOM 0 HB2 ALA A 50 12.810 10.745 4.573 1.00 0.00 H new ATOM 0 HB3 ALA A 50 12.164 10.753 2.915 1.00 0.00 H new ATOM 755 N VAL A 51 13.220 8.908 0.933 1.00 0.00 N ATOM 756 CA VAL A 51 12.872 8.141 -0.250 1.00 0.00 C ATOM 757 C VAL A 51 13.817 6.943 -0.372 1.00 0.00 C ATOM 758 O VAL A 51 13.379 5.828 -0.652 1.00 0.00 O ATOM 759 CB VAL A 51 12.891 9.045 -1.485 1.00 0.00 C ATOM 760 CG1 VAL A 51 13.067 8.223 -2.763 1.00 0.00 C ATOM 761 CG2 VAL A 51 11.627 9.904 -1.554 1.00 0.00 C ATOM 0 H VAL A 51 13.386 9.900 0.764 1.00 0.00 H new ATOM 0 HA VAL A 51 11.858 7.749 -0.166 1.00 0.00 H new ATOM 0 HB VAL A 51 13.747 9.715 -1.398 1.00 0.00 H new ATOM 0 HG11 VAL A 51 13.077 8.889 -3.626 1.00 0.00 H new ATOM 0 HG12 VAL A 51 14.008 7.675 -2.717 1.00 0.00 H new ATOM 0 HG13 VAL A 51 12.241 7.518 -2.859 1.00 0.00 H new ATOM 0 HG21 VAL A 51 11.665 10.537 -2.440 1.00 0.00 H new ATOM 0 HG22 VAL A 51 10.751 9.258 -1.607 1.00 0.00 H new ATOM 0 HG23 VAL A 51 11.563 10.530 -0.664 1.00 0.00 H new ATOM 771 N GLU A 52 15.096 7.215 -0.155 1.00 0.00 N ATOM 772 CA GLU A 52 16.106 6.173 -0.237 1.00 0.00 C ATOM 773 C GLU A 52 15.912 5.156 0.889 1.00 0.00 C ATOM 774 O GLU A 52 15.988 3.950 0.660 1.00 0.00 O ATOM 775 CB GLU A 52 17.514 6.771 -0.200 1.00 0.00 C ATOM 776 CG GLU A 52 17.841 7.487 -1.511 1.00 0.00 C ATOM 777 CD GLU A 52 18.664 6.589 -2.436 1.00 0.00 C ATOM 778 OE1 GLU A 52 18.056 5.665 -3.019 1.00 0.00 O ATOM 779 OE2 GLU A 52 19.883 6.846 -2.539 1.00 0.00 O ATOM 0 H GLU A 52 15.456 8.141 0.077 1.00 0.00 H new ATOM 0 HA GLU A 52 15.991 5.656 -1.190 1.00 0.00 H new ATOM 0 HB2 GLU A 52 17.593 7.472 0.631 1.00 0.00 H new ATOM 0 HB3 GLU A 52 18.244 5.981 -0.021 1.00 0.00 H new ATOM 0 HG2 GLU A 52 16.917 7.779 -2.010 1.00 0.00 H new ATOM 0 HG3 GLU A 52 18.394 8.403 -1.301 1.00 0.00 H new ATOM 786 N GLN A 53 15.665 5.680 2.080 1.00 0.00 N ATOM 787 CA GLN A 53 15.459 4.832 3.242 1.00 0.00 C ATOM 788 C GLN A 53 14.324 3.840 2.982 1.00 0.00 C ATOM 789 O GLN A 53 14.472 2.643 3.223 1.00 0.00 O ATOM 790 CB GLN A 53 15.179 5.671 4.491 1.00 0.00 C ATOM 791 CG GLN A 53 16.475 5.990 5.240 1.00 0.00 C ATOM 792 CD GLN A 53 16.333 5.687 6.733 1.00 0.00 C ATOM 793 OE1 GLN A 53 15.939 4.607 7.139 1.00 0.00 O ATOM 794 NE2 GLN A 53 16.676 6.700 7.524 1.00 0.00 N ATOM 0 H GLN A 53 15.603 6.681 2.266 1.00 0.00 H new ATOM 0 HA GLN A 53 16.374 4.267 3.421 1.00 0.00 H new ATOM 0 HB2 GLN A 53 14.682 6.598 4.206 1.00 0.00 H new ATOM 0 HB3 GLN A 53 14.497 5.133 5.150 1.00 0.00 H new ATOM 0 HG2 GLN A 53 17.294 5.405 4.823 1.00 0.00 H new ATOM 0 HG3 GLN A 53 16.731 7.040 5.101 1.00 0.00 H new ATOM 0 HE21 GLN A 53 16.998 7.578 7.117 1.00 0.00 H new ATOM 0 HE22 GLN A 53 16.617 6.599 8.537 1.00 0.00 H new ATOM 803 N PHE A 54 13.214 4.375 2.493 1.00 0.00 N ATOM 804 CA PHE A 54 12.054 3.552 2.197 1.00 0.00 C ATOM 805 C PHE A 54 12.359 2.558 1.074 1.00 0.00 C ATOM 806 O PHE A 54 12.347 1.348 1.292 1.00 0.00 O ATOM 807 CB PHE A 54 10.941 4.497 1.738 1.00 0.00 C ATOM 808 CG PHE A 54 9.547 3.866 1.746 1.00 0.00 C ATOM 809 CD1 PHE A 54 9.133 3.117 0.689 1.00 0.00 C ATOM 810 CD2 PHE A 54 8.722 4.055 2.811 1.00 0.00 C ATOM 811 CE1 PHE A 54 7.840 2.532 0.697 1.00 0.00 C ATOM 812 CE2 PHE A 54 7.428 3.470 2.818 1.00 0.00 C ATOM 813 CZ PHE A 54 7.014 2.721 1.761 1.00 0.00 C ATOM 0 H PHE A 54 13.094 5.368 2.295 1.00 0.00 H new ATOM 0 HA PHE A 54 11.766 2.983 3.081 1.00 0.00 H new ATOM 0 HB2 PHE A 54 10.935 5.375 2.383 1.00 0.00 H new ATOM 0 HB3 PHE A 54 11.166 4.844 0.730 1.00 0.00 H new ATOM 0 HD1 PHE A 54 9.788 2.967 -0.156 1.00 0.00 H new ATOM 0 HD2 PHE A 54 9.051 4.649 3.651 1.00 0.00 H new ATOM 0 HE1 PHE A 54 7.512 1.937 -0.142 1.00 0.00 H new ATOM 0 HE2 PHE A 54 6.772 3.620 3.663 1.00 0.00 H new ATOM 0 HZ PHE A 54 6.030 2.276 1.766 1.00 0.00 H new ATOM 823 N CYS A 55 12.624 3.107 -0.102 1.00 0.00 N ATOM 824 CA CYS A 55 12.931 2.283 -1.259 1.00 0.00 C ATOM 825 C CYS A 55 13.787 1.103 -0.796 1.00 0.00 C ATOM 826 O CYS A 55 13.684 0.005 -1.341 1.00 0.00 O ATOM 827 CB CYS A 55 13.621 3.091 -2.361 1.00 0.00 C ATOM 828 SG CYS A 55 14.901 2.069 -3.177 1.00 0.00 S ATOM 0 H CYS A 55 12.633 4.112 -0.279 1.00 0.00 H new ATOM 0 HA CYS A 55 12.006 1.909 -1.698 1.00 0.00 H new ATOM 0 HB2 CYS A 55 12.886 3.423 -3.095 1.00 0.00 H new ATOM 0 HB3 CYS A 55 14.075 3.987 -1.937 1.00 0.00 H new ATOM 0 HG CYS A 55 14.330 1.112 -3.847 1.00 0.00 H new ATOM 834 N ALA A 56 14.612 1.369 0.206 1.00 0.00 N ATOM 835 CA ALA A 56 15.486 0.343 0.749 1.00 0.00 C ATOM 836 C ALA A 56 14.686 -0.550 1.699 1.00 0.00 C ATOM 837 O ALA A 56 14.466 -1.726 1.414 1.00 0.00 O ATOM 838 CB ALA A 56 16.682 1.002 1.437 1.00 0.00 C ATOM 0 H ALA A 56 14.694 2.281 0.656 1.00 0.00 H new ATOM 0 HA ALA A 56 15.877 -0.289 -0.048 1.00 0.00 H new ATOM 0 HB1 ALA A 56 17.337 0.232 1.844 1.00 0.00 H new ATOM 0 HB2 ALA A 56 17.233 1.602 0.713 1.00 0.00 H new ATOM 0 HB3 ALA A 56 16.329 1.643 2.245 1.00 0.00 H new ATOM 844 N GLU A 57 14.273 0.042 2.810 1.00 0.00 N ATOM 845 CA GLU A 57 13.502 -0.685 3.804 1.00 0.00 C ATOM 846 C GLU A 57 12.418 -1.525 3.126 1.00 0.00 C ATOM 847 O GLU A 57 12.488 -2.753 3.126 1.00 0.00 O ATOM 848 CB GLU A 57 12.893 0.271 4.832 1.00 0.00 C ATOM 849 CG GLU A 57 13.680 0.241 6.143 1.00 0.00 C ATOM 850 CD GLU A 57 12.738 0.237 7.349 1.00 0.00 C ATOM 851 OE1 GLU A 57 12.280 1.341 7.715 1.00 0.00 O ATOM 852 OE2 GLU A 57 12.497 -0.870 7.878 1.00 0.00 O ATOM 0 H GLU A 57 14.458 1.017 3.044 1.00 0.00 H new ATOM 0 HA GLU A 57 14.175 -1.358 4.336 1.00 0.00 H new ATOM 0 HB2 GLU A 57 12.886 1.285 4.431 1.00 0.00 H new ATOM 0 HB3 GLU A 57 11.855 -0.005 5.020 1.00 0.00 H new ATOM 0 HG2 GLU A 57 14.315 -0.645 6.170 1.00 0.00 H new ATOM 0 HG3 GLU A 57 14.339 1.107 6.195 1.00 0.00 H new ATOM 859 N THR A 58 11.441 -0.829 2.564 1.00 0.00 N ATOM 860 CA THR A 58 10.343 -1.495 1.883 1.00 0.00 C ATOM 861 C THR A 58 10.865 -2.298 0.690 1.00 0.00 C ATOM 862 O THR A 58 10.591 -3.491 0.572 1.00 0.00 O ATOM 863 CB THR A 58 9.312 -0.433 1.496 1.00 0.00 C ATOM 864 OG1 THR A 58 10.068 0.773 1.420 1.00 0.00 O ATOM 865 CG2 THR A 58 8.299 -0.167 2.612 1.00 0.00 C ATOM 0 H THR A 58 11.386 0.190 2.566 1.00 0.00 H new ATOM 0 HA THR A 58 9.855 -2.220 2.535 1.00 0.00 H new ATOM 0 HB THR A 58 8.786 -0.749 0.595 1.00 0.00 H new ATOM 0 HG1 THR A 58 9.468 1.542 1.518 1.00 0.00 H new ATOM 0 HG21 THR A 58 7.590 0.594 2.286 1.00 0.00 H new ATOM 0 HG22 THR A 58 7.762 -1.087 2.843 1.00 0.00 H new ATOM 0 HG23 THR A 58 8.822 0.182 3.503 1.00 0.00 H new ATOM 873 N GLY A 59 11.608 -1.611 -0.166 1.00 0.00 N ATOM 874 CA GLY A 59 12.170 -2.245 -1.346 1.00 0.00 C ATOM 875 C GLY A 59 11.556 -1.669 -2.624 1.00 0.00 C ATOM 876 O GLY A 59 11.695 -2.248 -3.700 1.00 0.00 O ATOM 0 H GLY A 59 11.834 -0.621 -0.065 1.00 0.00 H new ATOM 0 HA2 GLY A 59 13.250 -2.101 -1.361 1.00 0.00 H new ATOM 0 HA3 GLY A 59 11.992 -3.320 -1.305 1.00 0.00 H new ATOM 880 N VAL A 60 10.890 -0.535 -2.463 1.00 0.00 N ATOM 881 CA VAL A 60 10.254 0.126 -3.589 1.00 0.00 C ATOM 882 C VAL A 60 11.276 1.022 -4.293 1.00 0.00 C ATOM 883 O VAL A 60 12.298 1.381 -3.709 1.00 0.00 O ATOM 884 CB VAL A 60 9.015 0.890 -3.117 1.00 0.00 C ATOM 885 CG1 VAL A 60 8.584 0.428 -1.724 1.00 0.00 C ATOM 886 CG2 VAL A 60 9.259 2.400 -3.143 1.00 0.00 C ATOM 0 H VAL A 60 10.777 -0.057 -1.569 1.00 0.00 H new ATOM 0 HA VAL A 60 9.909 -0.608 -4.317 1.00 0.00 H new ATOM 0 HB VAL A 60 8.202 0.670 -3.809 1.00 0.00 H new ATOM 0 HG11 VAL A 60 7.702 0.987 -1.412 1.00 0.00 H new ATOM 0 HG12 VAL A 60 8.349 -0.636 -1.750 1.00 0.00 H new ATOM 0 HG13 VAL A 60 9.394 0.604 -1.016 1.00 0.00 H new ATOM 0 HG21 VAL A 60 8.363 2.919 -2.803 1.00 0.00 H new ATOM 0 HG22 VAL A 60 10.092 2.645 -2.485 1.00 0.00 H new ATOM 0 HG23 VAL A 60 9.496 2.713 -4.160 1.00 0.00 H new ATOM 896 N ARG A 61 10.966 1.356 -5.537 1.00 0.00 N ATOM 897 CA ARG A 61 11.844 2.203 -6.326 1.00 0.00 C ATOM 898 C ARG A 61 11.333 3.645 -6.325 1.00 0.00 C ATOM 899 O ARG A 61 10.131 3.881 -6.434 1.00 0.00 O ATOM 900 CB ARG A 61 11.941 1.703 -7.768 1.00 0.00 C ATOM 901 CG ARG A 61 12.155 0.189 -7.811 1.00 0.00 C ATOM 902 CD ARG A 61 13.555 -0.152 -8.326 1.00 0.00 C ATOM 903 NE ARG A 61 13.583 -1.543 -8.830 1.00 0.00 N ATOM 904 CZ ARG A 61 14.704 -2.202 -9.154 1.00 0.00 C ATOM 905 NH1 ARG A 61 15.895 -1.601 -9.028 1.00 0.00 N ATOM 906 NH2 ARG A 61 14.634 -3.463 -9.604 1.00 0.00 N ATOM 0 H ARG A 61 10.118 1.055 -6.018 1.00 0.00 H new ATOM 0 HA ARG A 61 12.835 2.166 -5.874 1.00 0.00 H new ATOM 0 HB2 ARG A 61 11.030 1.960 -8.308 1.00 0.00 H new ATOM 0 HB3 ARG A 61 12.765 2.205 -8.276 1.00 0.00 H new ATOM 0 HG2 ARG A 61 12.018 -0.230 -6.814 1.00 0.00 H new ATOM 0 HG3 ARG A 61 11.405 -0.270 -8.455 1.00 0.00 H new ATOM 0 HD2 ARG A 61 13.837 0.538 -9.122 1.00 0.00 H new ATOM 0 HD3 ARG A 61 14.285 -0.031 -7.526 1.00 0.00 H new ATOM 0 HE ARG A 61 12.694 -2.031 -8.938 1.00 0.00 H new ATOM 0 HH11 ARG A 61 15.948 -0.642 -8.685 1.00 0.00 H new ATOM 0 HH12 ARG A 61 16.748 -2.103 -9.275 1.00 0.00 H new ATOM 0 HH21 ARG A 61 13.728 -3.921 -9.700 1.00 0.00 H new ATOM 0 HH22 ARG A 61 15.487 -3.965 -9.851 1.00 0.00 H new ATOM 920 N ARG A 62 12.272 4.572 -6.202 1.00 0.00 N ATOM 921 CA ARG A 62 11.931 5.984 -6.187 1.00 0.00 C ATOM 922 C ARG A 62 10.785 6.265 -7.161 1.00 0.00 C ATOM 923 O ARG A 62 9.718 6.721 -6.754 1.00 0.00 O ATOM 924 CB ARG A 62 13.137 6.846 -6.567 1.00 0.00 C ATOM 925 CG ARG A 62 12.776 8.333 -6.550 1.00 0.00 C ATOM 926 CD ARG A 62 13.946 9.175 -6.038 1.00 0.00 C ATOM 927 NE ARG A 62 14.228 10.277 -6.985 1.00 0.00 N ATOM 928 CZ ARG A 62 14.859 10.118 -8.156 1.00 0.00 C ATOM 929 NH1 ARG A 62 15.277 8.902 -8.532 1.00 0.00 N ATOM 930 NH2 ARG A 62 15.072 11.176 -8.951 1.00 0.00 N ATOM 0 H ARG A 62 13.268 4.373 -6.112 1.00 0.00 H new ATOM 0 HA ARG A 62 11.621 6.239 -5.174 1.00 0.00 H new ATOM 0 HB2 ARG A 62 13.956 6.659 -5.872 1.00 0.00 H new ATOM 0 HB3 ARG A 62 13.491 6.565 -7.559 1.00 0.00 H new ATOM 0 HG2 ARG A 62 12.503 8.656 -7.555 1.00 0.00 H new ATOM 0 HG3 ARG A 62 11.904 8.492 -5.916 1.00 0.00 H new ATOM 0 HD2 ARG A 62 13.710 9.581 -5.054 1.00 0.00 H new ATOM 0 HD3 ARG A 62 14.831 8.550 -5.921 1.00 0.00 H new ATOM 0 HE ARG A 62 13.923 11.216 -6.730 1.00 0.00 H new ATOM 0 HH11 ARG A 62 15.115 8.097 -7.927 1.00 0.00 H new ATOM 0 HH12 ARG A 62 15.757 8.781 -9.424 1.00 0.00 H new ATOM 0 HH21 ARG A 62 14.754 12.102 -8.664 1.00 0.00 H new ATOM 0 HH22 ARG A 62 15.552 11.055 -9.843 1.00 0.00 H new ATOM 944 N GLN A 63 11.046 5.981 -8.429 1.00 0.00 N ATOM 945 CA GLN A 63 10.049 6.197 -9.464 1.00 0.00 C ATOM 946 C GLN A 63 8.745 5.482 -9.103 1.00 0.00 C ATOM 947 O GLN A 63 7.666 6.064 -9.203 1.00 0.00 O ATOM 948 CB GLN A 63 10.567 5.737 -10.828 1.00 0.00 C ATOM 949 CG GLN A 63 10.600 4.210 -10.915 1.00 0.00 C ATOM 950 CD GLN A 63 11.308 3.749 -12.191 1.00 0.00 C ATOM 951 OE1 GLN A 63 10.751 3.755 -13.277 1.00 0.00 O ATOM 952 NE2 GLN A 63 12.562 3.350 -12.001 1.00 0.00 N ATOM 0 H GLN A 63 11.933 5.603 -8.763 1.00 0.00 H new ATOM 0 HA GLN A 63 9.848 7.266 -9.530 1.00 0.00 H new ATOM 0 HB2 GLN A 63 9.929 6.136 -11.617 1.00 0.00 H new ATOM 0 HB3 GLN A 63 11.568 6.136 -10.995 1.00 0.00 H new ATOM 0 HG2 GLN A 63 11.113 3.803 -10.043 1.00 0.00 H new ATOM 0 HG3 GLN A 63 9.583 3.819 -10.898 1.00 0.00 H new ATOM 0 HE21 GLN A 63 12.967 3.370 -11.065 1.00 0.00 H new ATOM 0 HE22 GLN A 63 13.119 3.023 -12.791 1.00 0.00 H new ATOM 961 N VAL A 64 8.888 4.231 -8.691 1.00 0.00 N ATOM 962 CA VAL A 64 7.735 3.431 -8.314 1.00 0.00 C ATOM 963 C VAL A 64 6.942 4.165 -7.231 1.00 0.00 C ATOM 964 O VAL A 64 5.727 4.320 -7.343 1.00 0.00 O ATOM 965 CB VAL A 64 8.185 2.034 -7.883 1.00 0.00 C ATOM 966 CG1 VAL A 64 7.004 1.213 -7.364 1.00 0.00 C ATOM 967 CG2 VAL A 64 8.896 1.310 -9.028 1.00 0.00 C ATOM 0 H VAL A 64 9.785 3.752 -8.610 1.00 0.00 H new ATOM 0 HA VAL A 64 7.070 3.294 -9.167 1.00 0.00 H new ATOM 0 HB VAL A 64 8.897 2.149 -7.066 1.00 0.00 H new ATOM 0 HG11 VAL A 64 7.352 0.224 -7.064 1.00 0.00 H new ATOM 0 HG12 VAL A 64 6.560 1.717 -6.506 1.00 0.00 H new ATOM 0 HG13 VAL A 64 6.257 1.112 -8.152 1.00 0.00 H new ATOM 0 HG21 VAL A 64 9.206 0.319 -8.695 1.00 0.00 H new ATOM 0 HG22 VAL A 64 8.216 1.213 -9.875 1.00 0.00 H new ATOM 0 HG23 VAL A 64 9.773 1.882 -9.331 1.00 0.00 H new ATOM 977 N LEU A 65 7.663 4.597 -6.206 1.00 0.00 N ATOM 978 CA LEU A 65 7.042 5.310 -5.103 1.00 0.00 C ATOM 979 C LEU A 65 6.441 6.619 -5.621 1.00 0.00 C ATOM 980 O LEU A 65 5.242 6.854 -5.480 1.00 0.00 O ATOM 981 CB LEU A 65 8.040 5.502 -3.959 1.00 0.00 C ATOM 982 CG LEU A 65 7.583 6.408 -2.814 1.00 0.00 C ATOM 983 CD1 LEU A 65 6.275 5.900 -2.202 1.00 0.00 C ATOM 984 CD2 LEU A 65 8.685 6.563 -1.764 1.00 0.00 C ATOM 0 H LEU A 65 8.671 4.467 -6.117 1.00 0.00 H new ATOM 0 HA LEU A 65 6.222 4.725 -4.685 1.00 0.00 H new ATOM 0 HB2 LEU A 65 8.282 4.523 -3.546 1.00 0.00 H new ATOM 0 HB3 LEU A 65 8.962 5.910 -4.373 1.00 0.00 H new ATOM 0 HG LEU A 65 7.385 7.400 -3.221 1.00 0.00 H new ATOM 0 HD11 LEU A 65 5.972 6.562 -1.390 1.00 0.00 H new ATOM 0 HD12 LEU A 65 5.498 5.884 -2.966 1.00 0.00 H new ATOM 0 HD13 LEU A 65 6.422 4.893 -1.813 1.00 0.00 H new ATOM 0 HD21 LEU A 65 8.334 7.212 -0.961 1.00 0.00 H new ATOM 0 HD22 LEU A 65 8.938 5.585 -1.355 1.00 0.00 H new ATOM 0 HD23 LEU A 65 9.569 7.003 -2.226 1.00 0.00 H new ATOM 996 N LYS A 66 7.303 7.436 -6.209 1.00 0.00 N ATOM 997 CA LYS A 66 6.872 8.714 -6.749 1.00 0.00 C ATOM 998 C LYS A 66 5.684 8.493 -7.687 1.00 0.00 C ATOM 999 O LYS A 66 4.678 9.195 -7.596 1.00 0.00 O ATOM 1000 CB LYS A 66 8.047 9.441 -7.406 1.00 0.00 C ATOM 1001 CG LYS A 66 7.705 10.909 -7.669 1.00 0.00 C ATOM 1002 CD LYS A 66 8.975 11.743 -7.854 1.00 0.00 C ATOM 1003 CE LYS A 66 9.336 11.871 -9.335 1.00 0.00 C ATOM 1004 NZ LYS A 66 10.793 11.703 -9.530 1.00 0.00 N ATOM 0 H LYS A 66 8.297 7.238 -6.323 1.00 0.00 H new ATOM 0 HA LYS A 66 6.528 9.369 -5.948 1.00 0.00 H new ATOM 0 HB2 LYS A 66 8.924 9.378 -6.762 1.00 0.00 H new ATOM 0 HB3 LYS A 66 8.304 8.950 -8.344 1.00 0.00 H new ATOM 0 HG2 LYS A 66 7.081 10.987 -8.560 1.00 0.00 H new ATOM 0 HG3 LYS A 66 7.123 11.305 -6.837 1.00 0.00 H new ATOM 0 HD2 LYS A 66 8.829 12.734 -7.425 1.00 0.00 H new ATOM 0 HD3 LYS A 66 9.800 11.280 -7.314 1.00 0.00 H new ATOM 0 HE2 LYS A 66 8.797 11.120 -9.913 1.00 0.00 H new ATOM 0 HE3 LYS A 66 9.023 12.846 -9.709 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 11.021 11.793 -10.541 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 11.302 12.435 -8.994 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 11.082 10.763 -9.192 1.00 0.00 H new ATOM 1018 N ILE A 67 5.839 7.514 -8.565 1.00 0.00 N ATOM 1019 CA ILE A 67 4.791 7.191 -9.519 1.00 0.00 C ATOM 1020 C ILE A 67 3.581 6.630 -8.770 1.00 0.00 C ATOM 1021 O ILE A 67 2.440 6.839 -9.180 1.00 0.00 O ATOM 1022 CB ILE A 67 5.326 6.260 -10.608 1.00 0.00 C ATOM 1023 CG1 ILE A 67 6.467 6.922 -11.384 1.00 0.00 C ATOM 1024 CG2 ILE A 67 4.200 5.793 -11.533 1.00 0.00 C ATOM 1025 CD1 ILE A 67 7.309 5.877 -12.118 1.00 0.00 C ATOM 0 H ILE A 67 6.675 6.933 -8.636 1.00 0.00 H new ATOM 0 HA ILE A 67 4.457 8.090 -10.037 1.00 0.00 H new ATOM 0 HB ILE A 67 5.736 5.372 -10.126 1.00 0.00 H new ATOM 0 HG12 ILE A 67 6.059 7.634 -12.101 1.00 0.00 H new ATOM 0 HG13 ILE A 67 7.099 7.487 -10.698 1.00 0.00 H new ATOM 0 HG21 ILE A 67 4.608 5.132 -12.298 1.00 0.00 H new ATOM 0 HG22 ILE A 67 3.451 5.256 -10.952 1.00 0.00 H new ATOM 0 HG23 ILE A 67 3.738 6.658 -12.009 1.00 0.00 H new ATOM 0 HD11 ILE A 67 8.113 6.374 -12.661 1.00 0.00 H new ATOM 0 HD12 ILE A 67 7.735 5.181 -11.396 1.00 0.00 H new ATOM 0 HD13 ILE A 67 6.680 5.331 -12.821 1.00 0.00 H new ATOM 1037 N TRP A 68 3.871 5.927 -7.684 1.00 0.00 N ATOM 1038 CA TRP A 68 2.820 5.334 -6.874 1.00 0.00 C ATOM 1039 C TRP A 68 1.953 6.467 -6.321 1.00 0.00 C ATOM 1040 O TRP A 68 0.729 6.430 -6.437 1.00 0.00 O ATOM 1041 CB TRP A 68 3.410 4.444 -5.779 1.00 0.00 C ATOM 1042 CG TRP A 68 2.364 3.831 -4.845 1.00 0.00 C ATOM 1043 CD1 TRP A 68 1.749 2.646 -4.960 1.00 0.00 C ATOM 1044 CD2 TRP A 68 1.833 4.424 -3.641 1.00 0.00 C ATOM 1045 NE1 TRP A 68 0.863 2.433 -3.923 1.00 0.00 N ATOM 1046 CE2 TRP A 68 0.917 3.549 -3.095 1.00 0.00 C ATOM 1047 CE3 TRP A 68 2.118 5.660 -3.034 1.00 0.00 C ATOM 1048 CZ2 TRP A 68 0.210 3.816 -1.916 1.00 0.00 C ATOM 1049 CZ3 TRP A 68 1.404 5.911 -1.856 1.00 0.00 C ATOM 1050 CH2 TRP A 68 0.478 5.041 -1.294 1.00 0.00 C ATOM 0 H TRP A 68 4.818 5.755 -7.347 1.00 0.00 H new ATOM 0 HA TRP A 68 2.192 4.678 -7.476 1.00 0.00 H new ATOM 0 HB2 TRP A 68 3.981 3.641 -6.246 1.00 0.00 H new ATOM 0 HB3 TRP A 68 4.112 5.031 -5.187 1.00 0.00 H new ATOM 0 HD1 TRP A 68 1.924 1.946 -5.763 1.00 0.00 H new ATOM 0 HE1 TRP A 68 0.277 1.609 -3.789 1.00 0.00 H new ATOM 0 HE3 TRP A 68 2.831 6.360 -3.444 1.00 0.00 H new ATOM 0 HZ2 TRP A 68 -0.503 3.115 -1.509 1.00 0.00 H new ATOM 0 HZ3 TRP A 68 1.586 6.847 -1.348 1.00 0.00 H new ATOM 0 HH2 TRP A 68 -0.033 5.309 -0.381 1.00 0.00 H new ATOM 1061 N MET A 69 2.621 7.448 -5.732 1.00 0.00 N ATOM 1062 CA MET A 69 1.927 8.589 -5.161 1.00 0.00 C ATOM 1063 C MET A 69 0.995 9.234 -6.188 1.00 0.00 C ATOM 1064 O MET A 69 -0.153 9.550 -5.879 1.00 0.00 O ATOM 1065 CB MET A 69 2.949 9.621 -4.680 1.00 0.00 C ATOM 1066 CG MET A 69 3.596 9.180 -3.365 1.00 0.00 C ATOM 1067 SD MET A 69 5.344 8.910 -3.605 1.00 0.00 S ATOM 1068 CE MET A 69 6.002 10.044 -2.393 1.00 0.00 C ATOM 0 H MET A 69 3.636 7.476 -5.638 1.00 0.00 H new ATOM 0 HA MET A 69 1.326 8.241 -4.321 1.00 0.00 H new ATOM 0 HB2 MET A 69 3.718 9.758 -5.440 1.00 0.00 H new ATOM 0 HB3 MET A 69 2.460 10.586 -4.544 1.00 0.00 H new ATOM 0 HG2 MET A 69 3.439 9.940 -2.600 1.00 0.00 H new ATOM 0 HG3 MET A 69 3.124 8.265 -3.007 1.00 0.00 H new ATOM 0 HE1 MET A 69 7.049 9.807 -2.204 1.00 0.00 H new ATOM 0 HE2 MET A 69 5.922 11.064 -2.768 1.00 0.00 H new ATOM 0 HE3 MET A 69 5.437 9.954 -1.465 1.00 0.00 H new ATOM 1078 N HIS A 70 1.524 9.411 -7.390 1.00 0.00 N ATOM 1079 CA HIS A 70 0.754 10.013 -8.465 1.00 0.00 C ATOM 1080 C HIS A 70 -0.255 8.997 -9.006 1.00 0.00 C ATOM 1081 O HIS A 70 -1.182 9.360 -9.727 1.00 0.00 O ATOM 1082 CB HIS A 70 1.678 10.566 -9.552 1.00 0.00 C ATOM 1083 CG HIS A 70 0.979 11.440 -10.566 1.00 0.00 C ATOM 1084 ND1 HIS A 70 0.880 12.814 -10.429 1.00 0.00 N ATOM 1085 CD2 HIS A 70 0.348 11.122 -11.732 1.00 0.00 C ATOM 1086 CE1 HIS A 70 0.216 13.291 -11.472 1.00 0.00 C ATOM 1087 NE2 HIS A 70 -0.113 12.241 -12.278 1.00 0.00 N ATOM 0 H HIS A 70 2.476 9.148 -7.643 1.00 0.00 H new ATOM 0 HA HIS A 70 0.191 10.863 -8.081 1.00 0.00 H new ATOM 0 HB2 HIS A 70 2.474 11.141 -9.080 1.00 0.00 H new ATOM 0 HB3 HIS A 70 2.151 9.732 -10.071 1.00 0.00 H new ATOM 0 HD2 HIS A 70 0.241 10.129 -12.142 1.00 0.00 H new ATOM 0 HE1 HIS A 70 -0.023 14.329 -11.652 1.00 0.00 H new ATOM 0 HE2 HIS A 70 -0.628 12.305 -13.156 1.00 0.00 H new ATOM 1095 N ASN A 71 -0.039 7.743 -8.636 1.00 0.00 N ATOM 1096 CA ASN A 71 -0.917 6.671 -9.074 1.00 0.00 C ATOM 1097 C ASN A 71 -2.038 6.486 -8.050 1.00 0.00 C ATOM 1098 O ASN A 71 -3.045 5.839 -8.336 1.00 0.00 O ATOM 1099 CB ASN A 71 -0.157 5.348 -9.188 1.00 0.00 C ATOM 1100 CG ASN A 71 0.027 4.946 -10.653 1.00 0.00 C ATOM 1101 OD1 ASN A 71 -0.408 3.895 -11.094 1.00 0.00 O ATOM 1102 ND2 ASN A 71 0.693 5.839 -11.379 1.00 0.00 N ATOM 0 H ASN A 71 0.732 7.445 -8.038 1.00 0.00 H new ATOM 0 HA ASN A 71 -1.318 6.941 -10.051 1.00 0.00 H new ATOM 0 HB2 ASN A 71 0.817 5.441 -8.708 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -0.700 4.566 -8.658 1.00 0.00 H new ATOM 0 HD21 ASN A 71 0.867 5.664 -12.369 1.00 0.00 H new ATOM 0 HD22 ASN A 71 1.030 6.699 -10.946 1.00 0.00 H new ATOM 1109 N ASN A 72 -1.827 7.065 -6.877 1.00 0.00 N ATOM 1110 CA ASN A 72 -2.808 6.971 -5.809 1.00 0.00 C ATOM 1111 C ASN A 72 -3.393 8.359 -5.537 1.00 0.00 C ATOM 1112 O ASN A 72 -4.600 8.562 -5.662 1.00 0.00 O ATOM 1113 CB ASN A 72 -2.166 6.468 -4.515 1.00 0.00 C ATOM 1114 CG ASN A 72 -1.845 4.974 -4.607 1.00 0.00 C ATOM 1115 OD1 ASN A 72 -2.672 4.118 -4.341 1.00 0.00 O ATOM 1116 ND2 ASN A 72 -0.601 4.712 -4.998 1.00 0.00 N ATOM 0 H ASN A 72 -0.991 7.601 -6.643 1.00 0.00 H new ATOM 0 HA ASN A 72 -3.583 6.272 -6.123 1.00 0.00 H new ATOM 0 HB2 ASN A 72 -1.252 7.028 -4.316 1.00 0.00 H new ATOM 0 HB3 ASN A 72 -2.839 6.648 -3.677 1.00 0.00 H new ATOM 0 HD21 ASN A 72 -0.288 3.746 -5.091 1.00 0.00 H new ATOM 0 HD22 ASN A 72 0.040 5.478 -5.205 1.00 0.00 H new ATOM 1123 N LYS A 73 -2.511 9.277 -5.171 1.00 0.00 N ATOM 1124 CA LYS A 73 -2.926 10.639 -4.881 1.00 0.00 C ATOM 1125 C LYS A 73 -3.855 11.132 -5.991 1.00 0.00 C ATOM 1126 O LYS A 73 -3.771 10.670 -7.128 1.00 0.00 O ATOM 1127 CB LYS A 73 -1.706 11.534 -4.657 1.00 0.00 C ATOM 1128 CG LYS A 73 -1.112 11.996 -5.990 1.00 0.00 C ATOM 1129 CD LYS A 73 -1.285 13.505 -6.174 1.00 0.00 C ATOM 1130 CE LYS A 73 0.011 14.249 -5.845 1.00 0.00 C ATOM 1131 NZ LYS A 73 -0.139 15.696 -6.117 1.00 0.00 N ATOM 0 H LYS A 73 -1.511 9.105 -5.069 1.00 0.00 H new ATOM 0 HA LYS A 73 -3.494 10.675 -3.951 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -1.991 12.401 -4.062 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -0.952 10.991 -4.088 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -0.053 11.740 -6.028 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -1.597 11.468 -6.811 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -1.580 13.718 -7.201 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -2.088 13.864 -5.530 1.00 0.00 H new ATOM 0 HE2 LYS A 73 0.270 14.095 -4.798 1.00 0.00 H new ATOM 0 HE3 LYS A 73 0.830 13.844 -6.439 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 0.749 16.186 -5.888 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -0.364 15.839 -7.122 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -0.907 16.081 -5.532 1.00 0.00 H new