USER MOD reduce.3.24.130724 H: found=0, std=0, add=411, rem=0, adj=8 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= -0.179 USER MOD Single : A 28 GLN :FLIP amide:sc= -1.63 F(o=-3.1,f=-1.6) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 LYS NZ :NH3+ -154:sc= 0 (180deg=-0.403) USER MOD Single : A 32 MET CE :methyl -141:sc= -6.48! (180deg=-9.19!) USER MOD Single : A 44 GLN : amide:sc= -0.025 X(o=-0.025,f=-0.14) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 HIS : no HD1:sc= -5.31! C(o=-5.3!,f=-5.7!) USER MOD Single : A 53 GLN : amide:sc= -0.0327 X(o=-0.033,f=-0.17) USER MOD Single : A 55 CYS SG : rot -45:sc= -0.714 USER MOD Single : A 58 THR OG1 : rot -159:sc= -2.12! USER MOD Single : A 63 GLN : amide:sc= 0 K(o=0,f=-0.83) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 MET CE :methyl 156:sc= -4.44! (180deg=-6.45!) USER MOD Single : A 70 HIS :FLIP no HD1:sc= -0.0189 F(o=-0.58,f=-0.019) USER MOD Single : A 71 ASN : amide:sc= -0.0631 X(o=-0.063,f=0) USER MOD Single : A 72 ASN : amide:sc= 0.298 K(o=0.3,f=-1) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 326 N THR A 25 3.305 -5.646 -1.205 1.00 0.00 N ATOM 327 CA THR A 25 2.590 -6.313 -0.131 1.00 0.00 C ATOM 328 C THR A 25 1.910 -5.286 0.776 1.00 0.00 C ATOM 329 O THR A 25 2.303 -4.121 0.805 1.00 0.00 O ATOM 330 CB THR A 25 3.581 -7.215 0.609 1.00 0.00 C ATOM 331 OG1 THR A 25 2.818 -7.764 1.680 1.00 0.00 O ATOM 332 CG2 THR A 25 4.686 -6.420 1.308 1.00 0.00 C ATOM 0 HA THR A 25 1.787 -6.939 -0.520 1.00 0.00 H new ATOM 0 HB THR A 25 4.028 -7.917 -0.095 1.00 0.00 H new ATOM 0 HG1 THR A 25 3.383 -8.363 2.211 1.00 0.00 H new ATOM 0 HG21 THR A 25 5.362 -7.107 1.818 1.00 0.00 H new ATOM 0 HG22 THR A 25 5.243 -5.844 0.569 1.00 0.00 H new ATOM 0 HG23 THR A 25 4.241 -5.742 2.036 1.00 0.00 H new ATOM 340 N ALA A 26 0.900 -5.755 1.495 1.00 0.00 N ATOM 341 CA ALA A 26 0.161 -4.891 2.400 1.00 0.00 C ATOM 342 C ALA A 26 1.130 -3.914 3.070 1.00 0.00 C ATOM 343 O ALA A 26 0.957 -2.700 2.976 1.00 0.00 O ATOM 344 CB ALA A 26 -0.599 -5.746 3.415 1.00 0.00 C ATOM 0 H ALA A 26 0.576 -6.722 1.469 1.00 0.00 H new ATOM 0 HA ALA A 26 -0.576 -4.302 1.853 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -1.153 -5.098 4.094 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -1.294 -6.402 2.890 1.00 0.00 H new ATOM 0 HB3 ALA A 26 0.108 -6.349 3.985 1.00 0.00 H new ATOM 350 N GLU A 27 2.128 -4.481 3.732 1.00 0.00 N ATOM 351 CA GLU A 27 3.124 -3.675 4.417 1.00 0.00 C ATOM 352 C GLU A 27 3.526 -2.478 3.553 1.00 0.00 C ATOM 353 O GLU A 27 3.238 -1.334 3.899 1.00 0.00 O ATOM 354 CB GLU A 27 4.347 -4.516 4.791 1.00 0.00 C ATOM 355 CG GLU A 27 4.670 -4.381 6.280 1.00 0.00 C ATOM 356 CD GLU A 27 3.477 -4.801 7.141 1.00 0.00 C ATOM 357 OE1 GLU A 27 3.137 -6.003 7.092 1.00 0.00 O ATOM 358 OE2 GLU A 27 2.931 -3.911 7.828 1.00 0.00 O ATOM 0 H GLU A 27 2.268 -5.488 3.808 1.00 0.00 H new ATOM 0 HA GLU A 27 2.685 -3.299 5.341 1.00 0.00 H new ATOM 0 HB2 GLU A 27 4.161 -5.562 4.549 1.00 0.00 H new ATOM 0 HB3 GLU A 27 5.206 -4.199 4.199 1.00 0.00 H new ATOM 0 HG2 GLU A 27 5.535 -4.997 6.525 1.00 0.00 H new ATOM 0 HG3 GLU A 27 4.940 -3.349 6.505 1.00 0.00 H new ATOM 365 N GLN A 28 4.184 -2.784 2.444 1.00 0.00 N ATOM 366 CA GLN A 28 4.627 -1.748 1.528 1.00 0.00 C ATOM 367 C GLN A 28 3.510 -0.728 1.298 1.00 0.00 C ATOM 368 O GLN A 28 3.699 0.467 1.520 1.00 0.00 O ATOM 369 CB GLN A 28 5.099 -2.352 0.203 1.00 0.00 C ATOM 370 CG GLN A 28 6.579 -2.051 -0.040 1.00 0.00 C ATOM 371 CD GLN A 28 7.185 -3.048 -1.030 1.00 0.00 C ATOM 372 OE1 GLN A 28 8.514 -3.013 -1.088 1.00 0.00 O flip ATOM 373 NE2 GLN A 28 6.493 -3.798 -1.698 1.00 0.00 N flip ATOM 0 H GLN A 28 4.421 -3.735 2.160 1.00 0.00 H new ATOM 0 HA GLN A 28 5.476 -1.233 1.978 1.00 0.00 H new ATOM 0 HB2 GLN A 28 4.940 -3.430 0.214 1.00 0.00 H new ATOM 0 HB3 GLN A 28 4.503 -1.950 -0.617 1.00 0.00 H new ATOM 0 HG2 GLN A 28 6.689 -1.037 -0.425 1.00 0.00 H new ATOM 0 HG3 GLN A 28 7.122 -2.094 0.904 1.00 0.00 H new ATOM 0 HE21 GLN A 28 5.478 -3.773 -1.605 1.00 0.00 H new ATOM 0 HE22 GLN A 28 6.930 -4.450 -2.350 1.00 0.00 H new ATOM 382 N LYS A 29 2.369 -1.238 0.856 1.00 0.00 N ATOM 383 CA LYS A 29 1.221 -0.387 0.594 1.00 0.00 C ATOM 384 C LYS A 29 1.000 0.546 1.786 1.00 0.00 C ATOM 385 O LYS A 29 1.162 1.760 1.668 1.00 0.00 O ATOM 386 CB LYS A 29 -0.003 -1.233 0.240 1.00 0.00 C ATOM 387 CG LYS A 29 0.155 -1.877 -1.139 1.00 0.00 C ATOM 388 CD LYS A 29 0.052 -3.400 -1.048 1.00 0.00 C ATOM 389 CE LYS A 29 -1.168 -3.914 -1.815 1.00 0.00 C ATOM 390 NZ LYS A 29 -1.947 -4.856 -0.979 1.00 0.00 N ATOM 0 H LYS A 29 2.216 -2.230 0.673 1.00 0.00 H new ATOM 0 HA LYS A 29 1.406 0.244 -0.275 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -0.144 -2.008 0.993 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -0.897 -0.609 0.254 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -0.613 -1.497 -1.812 1.00 0.00 H new ATOM 0 HG3 LYS A 29 1.119 -1.599 -1.566 1.00 0.00 H new ATOM 0 HD2 LYS A 29 0.957 -3.854 -1.451 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -0.018 -3.702 -0.003 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -1.798 -3.076 -2.112 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -0.847 -4.411 -2.730 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -2.771 -5.195 -1.515 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -1.348 -5.665 -0.717 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -2.270 -4.371 -0.118 1.00 0.00 H new ATOM 404 N GLU A 30 0.634 -0.056 2.908 1.00 0.00 N ATOM 405 CA GLU A 30 0.389 0.705 4.121 1.00 0.00 C ATOM 406 C GLU A 30 1.552 1.661 4.392 1.00 0.00 C ATOM 407 O GLU A 30 1.339 2.824 4.733 1.00 0.00 O ATOM 408 CB GLU A 30 0.154 -0.224 5.314 1.00 0.00 C ATOM 409 CG GLU A 30 -1.077 -1.105 5.089 1.00 0.00 C ATOM 410 CD GLU A 30 -1.565 -1.711 6.406 1.00 0.00 C ATOM 411 OE1 GLU A 30 -0.779 -2.476 7.005 1.00 0.00 O ATOM 412 OE2 GLU A 30 -2.715 -1.396 6.784 1.00 0.00 O ATOM 0 H GLU A 30 0.501 -1.063 3.002 1.00 0.00 H new ATOM 0 HA GLU A 30 -0.516 1.296 3.979 1.00 0.00 H new ATOM 0 HB2 GLU A 30 1.031 -0.852 5.469 1.00 0.00 H new ATOM 0 HB3 GLU A 30 0.021 0.368 6.220 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -1.874 -0.514 4.639 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -0.835 -1.902 4.386 1.00 0.00 H new ATOM 419 N LYS A 31 2.758 1.136 4.229 1.00 0.00 N ATOM 420 CA LYS A 31 3.955 1.928 4.451 1.00 0.00 C ATOM 421 C LYS A 31 3.919 3.164 3.550 1.00 0.00 C ATOM 422 O LYS A 31 4.196 4.274 4.000 1.00 0.00 O ATOM 423 CB LYS A 31 5.208 1.069 4.267 1.00 0.00 C ATOM 424 CG LYS A 31 5.722 0.554 5.613 1.00 0.00 C ATOM 425 CD LYS A 31 5.699 -0.975 5.661 1.00 0.00 C ATOM 426 CE LYS A 31 7.105 -1.538 5.874 1.00 0.00 C ATOM 427 NZ LYS A 31 7.255 -2.049 7.255 1.00 0.00 N ATOM 0 H LYS A 31 2.931 0.172 3.946 1.00 0.00 H new ATOM 0 HA LYS A 31 3.990 2.285 5.480 1.00 0.00 H new ATOM 0 HB2 LYS A 31 4.983 0.226 3.613 1.00 0.00 H new ATOM 0 HB3 LYS A 31 5.986 1.654 3.776 1.00 0.00 H new ATOM 0 HG2 LYS A 31 6.738 0.911 5.779 1.00 0.00 H new ATOM 0 HG3 LYS A 31 5.108 0.956 6.419 1.00 0.00 H new ATOM 0 HD2 LYS A 31 5.044 -1.307 6.467 1.00 0.00 H new ATOM 0 HD3 LYS A 31 5.284 -1.365 4.732 1.00 0.00 H new ATOM 0 HE2 LYS A 31 7.294 -2.340 5.161 1.00 0.00 H new ATOM 0 HE3 LYS A 31 7.846 -0.762 5.685 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 8.257 -2.014 7.531 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 6.696 -1.461 7.905 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 6.917 -3.032 7.300 1.00 0.00 H new ATOM 441 N MET A 32 3.575 2.929 2.292 1.00 0.00 N ATOM 442 CA MET A 32 3.499 4.009 1.323 1.00 0.00 C ATOM 443 C MET A 32 2.403 5.008 1.700 1.00 0.00 C ATOM 444 O MET A 32 2.645 6.213 1.745 1.00 0.00 O ATOM 445 CB MET A 32 3.208 3.431 -0.064 1.00 0.00 C ATOM 446 CG MET A 32 4.468 2.815 -0.676 1.00 0.00 C ATOM 447 SD MET A 32 4.058 1.291 -1.511 1.00 0.00 S ATOM 448 CE MET A 32 4.145 1.836 -3.209 1.00 0.00 C ATOM 0 H MET A 32 3.346 2.007 1.922 1.00 0.00 H new ATOM 0 HA MET A 32 4.455 4.533 1.315 1.00 0.00 H new ATOM 0 HB2 MET A 32 2.428 2.674 0.010 1.00 0.00 H new ATOM 0 HB3 MET A 32 2.829 4.217 -0.717 1.00 0.00 H new ATOM 0 HG2 MET A 32 4.920 3.514 -1.379 1.00 0.00 H new ATOM 0 HG3 MET A 32 5.206 2.625 0.104 1.00 0.00 H new ATOM 0 HE1 MET A 32 3.343 1.371 -3.782 1.00 0.00 H new ATOM 0 HE2 MET A 32 4.038 2.920 -3.249 1.00 0.00 H new ATOM 0 HE3 MET A 32 5.107 1.551 -3.634 1.00 0.00 H new ATOM 458 N LEU A 33 1.221 4.469 1.961 1.00 0.00 N ATOM 459 CA LEU A 33 0.087 5.298 2.333 1.00 0.00 C ATOM 460 C LEU A 33 0.544 6.363 3.331 1.00 0.00 C ATOM 461 O LEU A 33 0.256 7.546 3.158 1.00 0.00 O ATOM 462 CB LEU A 33 -1.066 4.432 2.843 1.00 0.00 C ATOM 463 CG LEU A 33 -2.138 4.066 1.814 1.00 0.00 C ATOM 464 CD1 LEU A 33 -3.108 5.228 1.597 1.00 0.00 C ATOM 465 CD2 LEU A 33 -1.502 3.598 0.503 1.00 0.00 C ATOM 0 H LEU A 33 1.024 3.469 1.922 1.00 0.00 H new ATOM 0 HA LEU A 33 -0.302 5.824 1.461 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -0.650 3.510 3.248 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -1.548 4.954 3.670 1.00 0.00 H new ATOM 0 HG LEU A 33 -2.718 3.231 2.207 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -3.860 4.942 0.861 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -3.598 5.474 2.539 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -2.559 6.098 1.235 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -2.285 3.344 -0.211 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -0.883 4.396 0.094 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -0.884 2.720 0.691 1.00 0.00 H new ATOM 477 N ALA A 34 1.250 5.905 4.354 1.00 0.00 N ATOM 478 CA ALA A 34 1.751 6.803 5.381 1.00 0.00 C ATOM 479 C ALA A 34 2.887 7.649 4.802 1.00 0.00 C ATOM 480 O ALA A 34 2.800 8.876 4.774 1.00 0.00 O ATOM 481 CB ALA A 34 2.192 5.991 6.600 1.00 0.00 C ATOM 0 H ALA A 34 1.487 4.923 4.494 1.00 0.00 H new ATOM 0 HA ALA A 34 0.967 7.484 5.710 1.00 0.00 H new ATOM 0 HB1 ALA A 34 2.568 6.665 7.370 1.00 0.00 H new ATOM 0 HB2 ALA A 34 1.342 5.431 6.991 1.00 0.00 H new ATOM 0 HB3 ALA A 34 2.981 5.297 6.309 1.00 0.00 H new ATOM 487 N PHE A 35 3.926 6.960 4.355 1.00 0.00 N ATOM 488 CA PHE A 35 5.078 7.633 3.778 1.00 0.00 C ATOM 489 C PHE A 35 4.647 8.845 2.949 1.00 0.00 C ATOM 490 O PHE A 35 5.003 9.978 3.268 1.00 0.00 O ATOM 491 CB PHE A 35 5.773 6.624 2.862 1.00 0.00 C ATOM 492 CG PHE A 35 7.221 6.986 2.523 1.00 0.00 C ATOM 493 CD1 PHE A 35 8.192 6.862 3.467 1.00 0.00 C ATOM 494 CD2 PHE A 35 7.536 7.432 1.277 1.00 0.00 C ATOM 495 CE1 PHE A 35 9.535 7.197 3.152 1.00 0.00 C ATOM 496 CE2 PHE A 35 8.879 7.768 0.962 1.00 0.00 C ATOM 497 CZ PHE A 35 9.850 7.643 1.906 1.00 0.00 C ATOM 0 H PHE A 35 3.995 5.943 4.380 1.00 0.00 H new ATOM 0 HA PHE A 35 5.738 7.985 4.570 1.00 0.00 H new ATOM 0 HB2 PHE A 35 5.756 5.644 3.339 1.00 0.00 H new ATOM 0 HB3 PHE A 35 5.204 6.538 1.936 1.00 0.00 H new ATOM 0 HD1 PHE A 35 7.941 6.509 4.456 1.00 0.00 H new ATOM 0 HD2 PHE A 35 6.765 7.530 0.528 1.00 0.00 H new ATOM 0 HE1 PHE A 35 10.306 7.098 3.901 1.00 0.00 H new ATOM 0 HE2 PHE A 35 9.129 8.123 -0.027 1.00 0.00 H new ATOM 0 HZ PHE A 35 10.872 7.898 1.666 1.00 0.00 H new ATOM 507 N ALA A 36 3.887 8.564 1.901 1.00 0.00 N ATOM 508 CA ALA A 36 3.404 9.616 1.023 1.00 0.00 C ATOM 509 C ALA A 36 2.694 10.684 1.858 1.00 0.00 C ATOM 510 O ALA A 36 3.036 11.864 1.784 1.00 0.00 O ATOM 511 CB ALA A 36 2.492 9.011 -0.046 1.00 0.00 C ATOM 0 H ALA A 36 3.594 7.623 1.640 1.00 0.00 H new ATOM 0 HA ALA A 36 4.235 10.098 0.508 1.00 0.00 H new ATOM 0 HB1 ALA A 36 2.130 9.800 -0.705 1.00 0.00 H new ATOM 0 HB2 ALA A 36 3.051 8.280 -0.630 1.00 0.00 H new ATOM 0 HB3 ALA A 36 1.644 8.521 0.434 1.00 0.00 H new ATOM 517 N GLU A 37 1.719 10.233 2.633 1.00 0.00 N ATOM 518 CA GLU A 37 0.959 11.135 3.481 1.00 0.00 C ATOM 519 C GLU A 37 1.901 12.077 4.234 1.00 0.00 C ATOM 520 O GLU A 37 1.569 13.239 4.465 1.00 0.00 O ATOM 521 CB GLU A 37 0.071 10.356 4.453 1.00 0.00 C ATOM 522 CG GLU A 37 -1.352 10.222 3.907 1.00 0.00 C ATOM 523 CD GLU A 37 -2.073 11.572 3.917 1.00 0.00 C ATOM 524 OE1 GLU A 37 -1.743 12.398 3.039 1.00 0.00 O ATOM 525 OE2 GLU A 37 -2.938 11.747 4.803 1.00 0.00 O ATOM 0 H GLU A 37 1.438 9.254 2.691 1.00 0.00 H new ATOM 0 HA GLU A 37 0.307 11.736 2.846 1.00 0.00 H new ATOM 0 HB2 GLU A 37 0.494 9.366 4.624 1.00 0.00 H new ATOM 0 HB3 GLU A 37 0.048 10.864 5.417 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -1.320 9.831 2.890 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -1.910 9.503 4.508 1.00 0.00 H new ATOM 532 N ARG A 38 3.058 11.541 4.595 1.00 0.00 N ATOM 533 CA ARG A 38 4.050 12.319 5.317 1.00 0.00 C ATOM 534 C ARG A 38 4.709 13.336 4.383 1.00 0.00 C ATOM 535 O ARG A 38 4.859 14.504 4.738 1.00 0.00 O ATOM 536 CB ARG A 38 5.129 11.415 5.917 1.00 0.00 C ATOM 537 CG ARG A 38 4.532 10.086 6.385 1.00 0.00 C ATOM 538 CD ARG A 38 5.085 9.689 7.755 1.00 0.00 C ATOM 539 NE ARG A 38 4.988 10.832 8.690 1.00 0.00 N ATOM 540 CZ ARG A 38 5.461 10.819 9.944 1.00 0.00 C ATOM 541 NH1 ARG A 38 6.065 9.722 10.421 1.00 0.00 N ATOM 542 NH2 ARG A 38 5.328 11.902 10.722 1.00 0.00 N ATOM 0 H ARG A 38 3.330 10.577 4.401 1.00 0.00 H new ATOM 0 HA ARG A 38 3.538 12.841 6.126 1.00 0.00 H new ATOM 0 HB2 ARG A 38 5.906 11.228 5.175 1.00 0.00 H new ATOM 0 HB3 ARG A 38 5.606 11.920 6.757 1.00 0.00 H new ATOM 0 HG2 ARG A 38 3.446 10.169 6.437 1.00 0.00 H new ATOM 0 HG3 ARG A 38 4.757 9.306 5.658 1.00 0.00 H new ATOM 0 HD2 ARG A 38 4.529 8.838 8.148 1.00 0.00 H new ATOM 0 HD3 ARG A 38 6.124 9.374 7.660 1.00 0.00 H new ATOM 0 HE ARG A 38 4.533 11.683 8.359 1.00 0.00 H new ATOM 0 HH11 ARG A 38 6.165 8.897 9.830 1.00 0.00 H new ATOM 0 HH12 ARG A 38 6.425 9.712 11.375 1.00 0.00 H new ATOM 0 HH21 ARG A 38 4.867 12.737 10.360 1.00 0.00 H new ATOM 0 HH22 ARG A 38 5.688 11.892 11.676 1.00 0.00 H new ATOM 556 N LEU A 39 5.084 12.856 3.207 1.00 0.00 N ATOM 557 CA LEU A 39 5.724 13.709 2.219 1.00 0.00 C ATOM 558 C LEU A 39 4.651 14.468 1.436 1.00 0.00 C ATOM 559 O LEU A 39 4.958 15.162 0.468 1.00 0.00 O ATOM 560 CB LEU A 39 6.667 12.891 1.335 1.00 0.00 C ATOM 561 CG LEU A 39 7.349 11.697 2.006 1.00 0.00 C ATOM 562 CD1 LEU A 39 7.059 10.401 1.245 1.00 0.00 C ATOM 563 CD2 LEU A 39 8.850 11.943 2.169 1.00 0.00 C ATOM 0 H LEU A 39 4.957 11.887 2.915 1.00 0.00 H new ATOM 0 HA LEU A 39 6.350 14.455 2.708 1.00 0.00 H new ATOM 0 HB2 LEU A 39 6.103 12.526 0.476 1.00 0.00 H new ATOM 0 HB3 LEU A 39 7.440 13.556 0.950 1.00 0.00 H new ATOM 0 HG LEU A 39 6.932 11.583 3.006 1.00 0.00 H new ATOM 0 HD11 LEU A 39 7.555 9.568 1.743 1.00 0.00 H new ATOM 0 HD12 LEU A 39 5.984 10.223 1.225 1.00 0.00 H new ATOM 0 HD13 LEU A 39 7.431 10.487 0.224 1.00 0.00 H new ATOM 0 HD21 LEU A 39 9.310 11.079 2.648 1.00 0.00 H new ATOM 0 HD22 LEU A 39 9.302 12.098 1.189 1.00 0.00 H new ATOM 0 HD23 LEU A 39 9.009 12.828 2.786 1.00 0.00 H new ATOM 575 N GLY A 40 3.414 14.310 1.885 1.00 0.00 N ATOM 576 CA GLY A 40 2.293 14.972 1.238 1.00 0.00 C ATOM 577 C GLY A 40 2.095 14.449 -0.186 1.00 0.00 C ATOM 578 O GLY A 40 1.605 15.171 -1.054 1.00 0.00 O ATOM 0 H GLY A 40 3.163 13.734 2.688 1.00 0.00 H new ATOM 0 HA2 GLY A 40 1.385 14.809 1.819 1.00 0.00 H new ATOM 0 HA3 GLY A 40 2.466 16.048 1.213 1.00 0.00 H new ATOM 582 N TRP A 41 2.486 13.199 -0.383 1.00 0.00 N ATOM 583 CA TRP A 41 2.358 12.571 -1.687 1.00 0.00 C ATOM 584 C TRP A 41 3.319 13.274 -2.647 1.00 0.00 C ATOM 585 O TRP A 41 3.223 13.105 -3.862 1.00 0.00 O ATOM 586 CB TRP A 41 0.906 12.599 -2.168 1.00 0.00 C ATOM 587 CG TRP A 41 -0.054 11.784 -1.298 1.00 0.00 C ATOM 588 CD1 TRP A 41 -0.764 12.200 -0.241 1.00 0.00 C ATOM 589 CD2 TRP A 41 -0.382 10.387 -1.456 1.00 0.00 C ATOM 590 NE1 TRP A 41 -1.523 11.178 0.293 1.00 0.00 N ATOM 591 CE2 TRP A 41 -1.283 10.041 -0.469 1.00 0.00 C ATOM 592 CE3 TRP A 41 0.068 9.448 -2.400 1.00 0.00 C ATOM 593 CZ2 TRP A 41 -1.811 8.751 -0.332 1.00 0.00 C ATOM 594 CZ3 TRP A 41 -0.469 8.164 -2.249 1.00 0.00 C ATOM 595 CH2 TRP A 41 -1.376 7.799 -1.262 1.00 0.00 C ATOM 0 H TRP A 41 2.892 12.604 0.339 1.00 0.00 H new ATOM 0 HA TRP A 41 2.628 11.516 -1.635 1.00 0.00 H new ATOM 0 HB2 TRP A 41 0.564 13.633 -2.198 1.00 0.00 H new ATOM 0 HB3 TRP A 41 0.865 12.220 -3.189 1.00 0.00 H new ATOM 0 HD1 TRP A 41 -0.745 13.208 0.145 1.00 0.00 H new ATOM 0 HE1 TRP A 41 -2.145 11.245 1.098 1.00 0.00 H new ATOM 0 HE3 TRP A 41 0.772 9.697 -3.180 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 -2.515 8.504 0.449 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 -0.156 7.404 -2.949 1.00 0.00 H new ATOM 0 HH2 TRP A 41 -1.744 6.785 -1.212 1.00 0.00 H new ATOM 606 N ARG A 42 4.225 14.047 -2.066 1.00 0.00 N ATOM 607 CA ARG A 42 5.203 14.777 -2.855 1.00 0.00 C ATOM 608 C ARG A 42 6.613 14.520 -2.321 1.00 0.00 C ATOM 609 O ARG A 42 6.799 14.311 -1.123 1.00 0.00 O ATOM 610 CB ARG A 42 4.921 16.280 -2.829 1.00 0.00 C ATOM 611 CG ARG A 42 5.776 17.016 -3.863 1.00 0.00 C ATOM 612 CD ARG A 42 5.940 18.491 -3.488 1.00 0.00 C ATOM 613 NE ARG A 42 5.580 19.348 -4.639 1.00 0.00 N ATOM 614 CZ ARG A 42 5.496 20.685 -4.583 1.00 0.00 C ATOM 615 NH1 ARG A 42 5.745 21.324 -3.433 1.00 0.00 N ATOM 616 NH2 ARG A 42 5.162 21.381 -5.678 1.00 0.00 N ATOM 0 H ARG A 42 4.302 14.184 -1.058 1.00 0.00 H new ATOM 0 HA ARG A 42 5.130 14.424 -3.884 1.00 0.00 H new ATOM 0 HB2 ARG A 42 3.865 16.459 -3.031 1.00 0.00 H new ATOM 0 HB3 ARG A 42 5.127 16.675 -1.834 1.00 0.00 H new ATOM 0 HG2 ARG A 42 6.756 16.544 -3.933 1.00 0.00 H new ATOM 0 HG3 ARG A 42 5.313 16.936 -4.846 1.00 0.00 H new ATOM 0 HD2 ARG A 42 5.307 18.730 -2.634 1.00 0.00 H new ATOM 0 HD3 ARG A 42 6.969 18.686 -3.187 1.00 0.00 H new ATOM 0 HE ARG A 42 5.383 18.893 -5.531 1.00 0.00 H new ATOM 0 HH11 ARG A 42 5.999 20.794 -2.599 1.00 0.00 H new ATOM 0 HH12 ARG A 42 5.681 22.341 -3.391 1.00 0.00 H new ATOM 0 HH21 ARG A 42 4.972 20.894 -6.554 1.00 0.00 H new ATOM 0 HH22 ARG A 42 5.098 22.398 -5.636 1.00 0.00 H new ATOM 630 N ILE A 43 7.571 14.544 -3.236 1.00 0.00 N ATOM 631 CA ILE A 43 8.959 14.316 -2.872 1.00 0.00 C ATOM 632 C ILE A 43 9.780 15.564 -3.203 1.00 0.00 C ATOM 633 O ILE A 43 9.655 16.123 -4.292 1.00 0.00 O ATOM 634 CB ILE A 43 9.485 13.041 -3.535 1.00 0.00 C ATOM 635 CG1 ILE A 43 8.707 11.813 -3.056 1.00 0.00 C ATOM 636 CG2 ILE A 43 10.991 12.888 -3.313 1.00 0.00 C ATOM 637 CD1 ILE A 43 8.774 10.685 -4.087 1.00 0.00 C ATOM 0 H ILE A 43 7.413 14.718 -4.229 1.00 0.00 H new ATOM 0 HA ILE A 43 9.048 14.150 -1.798 1.00 0.00 H new ATOM 0 HB ILE A 43 9.325 13.124 -4.610 1.00 0.00 H new ATOM 0 HG12 ILE A 43 9.115 11.467 -2.106 1.00 0.00 H new ATOM 0 HG13 ILE A 43 7.667 12.085 -2.876 1.00 0.00 H new ATOM 0 HG21 ILE A 43 11.339 11.974 -3.794 1.00 0.00 H new ATOM 0 HG22 ILE A 43 11.511 13.745 -3.742 1.00 0.00 H new ATOM 0 HG23 ILE A 43 11.198 12.836 -2.244 1.00 0.00 H new ATOM 0 HD11 ILE A 43 8.213 9.825 -3.722 1.00 0.00 H new ATOM 0 HD12 ILE A 43 8.343 11.026 -5.028 1.00 0.00 H new ATOM 0 HD13 ILE A 43 9.814 10.399 -4.247 1.00 0.00 H new ATOM 649 N GLN A 44 10.602 15.964 -2.244 1.00 0.00 N ATOM 650 CA GLN A 44 11.443 17.136 -2.420 1.00 0.00 C ATOM 651 C GLN A 44 12.919 16.735 -2.414 1.00 0.00 C ATOM 652 O GLN A 44 13.244 15.549 -2.399 1.00 0.00 O ATOM 653 CB GLN A 44 11.155 18.184 -1.343 1.00 0.00 C ATOM 654 CG GLN A 44 10.035 19.130 -1.784 1.00 0.00 C ATOM 655 CD GLN A 44 10.316 20.563 -1.327 1.00 0.00 C ATOM 656 OE1 GLN A 44 11.365 21.130 -1.584 1.00 0.00 O ATOM 657 NE2 GLN A 44 9.322 21.114 -0.636 1.00 0.00 N ATOM 0 H GLN A 44 10.704 15.497 -1.343 1.00 0.00 H new ATOM 0 HA GLN A 44 11.212 17.584 -3.387 1.00 0.00 H new ATOM 0 HB2 GLN A 44 10.873 17.688 -0.414 1.00 0.00 H new ATOM 0 HB3 GLN A 44 12.059 18.756 -1.136 1.00 0.00 H new ATOM 0 HG2 GLN A 44 9.938 19.103 -2.869 1.00 0.00 H new ATOM 0 HG3 GLN A 44 9.085 18.792 -1.370 1.00 0.00 H new ATOM 0 HE21 GLN A 44 8.470 20.583 -0.456 1.00 0.00 H new ATOM 0 HE22 GLN A 44 9.412 22.068 -0.286 1.00 0.00 H new ATOM 666 N LYS A 45 13.774 17.747 -2.425 1.00 0.00 N ATOM 667 CA LYS A 45 15.209 17.515 -2.421 1.00 0.00 C ATOM 668 C LYS A 45 15.641 17.045 -1.030 1.00 0.00 C ATOM 669 O LYS A 45 16.711 16.460 -0.874 1.00 0.00 O ATOM 670 CB LYS A 45 15.954 18.759 -2.908 1.00 0.00 C ATOM 671 CG LYS A 45 16.418 19.618 -1.729 1.00 0.00 C ATOM 672 CD LYS A 45 16.449 21.100 -2.109 1.00 0.00 C ATOM 673 CE LYS A 45 16.267 21.986 -0.875 1.00 0.00 C ATOM 674 NZ LYS A 45 16.566 23.398 -1.202 1.00 0.00 N ATOM 0 H LYS A 45 13.501 18.730 -2.437 1.00 0.00 H new ATOM 0 HA LYS A 45 15.469 16.721 -3.122 1.00 0.00 H new ATOM 0 HB2 LYS A 45 16.815 18.461 -3.506 1.00 0.00 H new ATOM 0 HB3 LYS A 45 15.304 19.346 -3.556 1.00 0.00 H new ATOM 0 HG2 LYS A 45 15.749 19.470 -0.881 1.00 0.00 H new ATOM 0 HG3 LYS A 45 17.411 19.300 -1.411 1.00 0.00 H new ATOM 0 HD2 LYS A 45 17.397 21.335 -2.593 1.00 0.00 H new ATOM 0 HD3 LYS A 45 15.661 21.310 -2.832 1.00 0.00 H new ATOM 0 HE2 LYS A 45 15.245 21.901 -0.506 1.00 0.00 H new ATOM 0 HE3 LYS A 45 16.924 21.645 -0.075 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 16.438 23.986 -0.354 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 17.549 23.477 -1.532 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 15.922 23.725 -1.950 1.00 0.00 H new ATOM 688 N HIS A 46 14.786 17.319 -0.056 1.00 0.00 N ATOM 689 CA HIS A 46 15.066 16.931 1.316 1.00 0.00 C ATOM 690 C HIS A 46 14.564 15.506 1.560 1.00 0.00 C ATOM 691 O HIS A 46 15.086 14.799 2.420 1.00 0.00 O ATOM 692 CB HIS A 46 14.475 17.944 2.299 1.00 0.00 C ATOM 693 CG HIS A 46 12.975 17.854 2.445 1.00 0.00 C ATOM 694 ND1 HIS A 46 12.099 18.549 1.630 1.00 0.00 N ATOM 695 CD2 HIS A 46 12.206 17.143 3.320 1.00 0.00 C ATOM 696 CE1 HIS A 46 10.861 18.263 2.006 1.00 0.00 C ATOM 697 NE2 HIS A 46 10.929 17.392 3.054 1.00 0.00 N ATOM 0 H HIS A 46 13.899 17.805 -0.190 1.00 0.00 H new ATOM 0 HA HIS A 46 16.143 16.934 1.485 1.00 0.00 H new ATOM 0 HB2 HIS A 46 14.934 17.797 3.276 1.00 0.00 H new ATOM 0 HB3 HIS A 46 14.738 18.950 1.971 1.00 0.00 H new ATOM 0 HD2 HIS A 46 12.574 16.489 4.097 1.00 0.00 H new ATOM 0 HE1 HIS A 46 9.957 18.651 1.561 1.00 0.00 H new ATOM 0 HE2 HIS A 46 10.131 16.997 3.551 1.00 0.00 H new ATOM 705 N ASP A 47 13.556 15.128 0.787 1.00 0.00 N ATOM 706 CA ASP A 47 12.977 13.801 0.907 1.00 0.00 C ATOM 707 C ASP A 47 13.857 12.796 0.161 1.00 0.00 C ATOM 708 O ASP A 47 13.718 11.588 0.344 1.00 0.00 O ATOM 709 CB ASP A 47 11.577 13.752 0.292 1.00 0.00 C ATOM 710 CG ASP A 47 10.584 14.765 0.866 1.00 0.00 C ATOM 711 OD1 ASP A 47 10.957 15.956 0.924 1.00 0.00 O ATOM 712 OD2 ASP A 47 9.473 14.324 1.233 1.00 0.00 O ATOM 0 H ASP A 47 13.126 15.718 0.075 1.00 0.00 H new ATOM 0 HA ASP A 47 12.913 13.556 1.967 1.00 0.00 H new ATOM 0 HB2 ASP A 47 11.662 13.917 -0.782 1.00 0.00 H new ATOM 0 HB3 ASP A 47 11.171 12.750 0.429 1.00 0.00 H new ATOM 717 N ASP A 48 14.743 13.333 -0.665 1.00 0.00 N ATOM 718 CA ASP A 48 15.645 12.498 -1.441 1.00 0.00 C ATOM 719 C ASP A 48 16.225 11.407 -0.539 1.00 0.00 C ATOM 720 O ASP A 48 16.591 10.333 -1.014 1.00 0.00 O ATOM 721 CB ASP A 48 16.810 13.317 -2.000 1.00 0.00 C ATOM 722 CG ASP A 48 17.406 12.787 -3.305 1.00 0.00 C ATOM 723 OD1 ASP A 48 17.784 11.595 -3.313 1.00 0.00 O ATOM 724 OD2 ASP A 48 17.470 13.585 -4.265 1.00 0.00 O ATOM 0 H ASP A 48 14.856 14.336 -0.814 1.00 0.00 H new ATOM 0 HA ASP A 48 15.079 12.066 -2.266 1.00 0.00 H new ATOM 0 HB2 ASP A 48 16.470 14.340 -2.162 1.00 0.00 H new ATOM 0 HB3 ASP A 48 17.599 13.359 -1.249 1.00 0.00 H new ATOM 729 N VAL A 49 16.289 11.719 0.747 1.00 0.00 N ATOM 730 CA VAL A 49 16.818 10.778 1.720 1.00 0.00 C ATOM 731 C VAL A 49 15.723 9.782 2.108 1.00 0.00 C ATOM 732 O VAL A 49 15.833 8.590 1.824 1.00 0.00 O ATOM 733 CB VAL A 49 17.391 11.533 2.921 1.00 0.00 C ATOM 734 CG1 VAL A 49 18.077 10.574 3.896 1.00 0.00 C ATOM 735 CG2 VAL A 49 18.352 12.634 2.468 1.00 0.00 C ATOM 0 H VAL A 49 15.983 12.610 1.138 1.00 0.00 H new ATOM 0 HA VAL A 49 17.640 10.206 1.290 1.00 0.00 H new ATOM 0 HB VAL A 49 16.561 12.007 3.446 1.00 0.00 H new ATOM 0 HG11 VAL A 49 18.475 11.137 4.740 1.00 0.00 H new ATOM 0 HG12 VAL A 49 17.354 9.842 4.256 1.00 0.00 H new ATOM 0 HG13 VAL A 49 18.891 10.059 3.387 1.00 0.00 H new ATOM 0 HG21 VAL A 49 18.745 13.155 3.341 1.00 0.00 H new ATOM 0 HG22 VAL A 49 19.176 12.190 1.909 1.00 0.00 H new ATOM 0 HG23 VAL A 49 17.821 13.342 1.832 1.00 0.00 H new ATOM 745 N ALA A 50 14.690 10.307 2.751 1.00 0.00 N ATOM 746 CA ALA A 50 13.576 9.480 3.180 1.00 0.00 C ATOM 747 C ALA A 50 13.176 8.540 2.041 1.00 0.00 C ATOM 748 O ALA A 50 12.907 7.362 2.269 1.00 0.00 O ATOM 749 CB ALA A 50 12.420 10.374 3.632 1.00 0.00 C ATOM 0 H ALA A 50 14.602 11.296 2.985 1.00 0.00 H new ATOM 0 HA ALA A 50 13.862 8.863 4.032 1.00 0.00 H new ATOM 0 HB1 ALA A 50 11.584 9.753 3.954 1.00 0.00 H new ATOM 0 HB2 ALA A 50 12.747 11.000 4.462 1.00 0.00 H new ATOM 0 HB3 ALA A 50 12.104 11.007 2.803 1.00 0.00 H new ATOM 755 N VAL A 51 13.149 9.097 0.839 1.00 0.00 N ATOM 756 CA VAL A 51 12.786 8.323 -0.336 1.00 0.00 C ATOM 757 C VAL A 51 13.693 7.095 -0.433 1.00 0.00 C ATOM 758 O VAL A 51 13.228 5.997 -0.735 1.00 0.00 O ATOM 759 CB VAL A 51 12.842 9.208 -1.583 1.00 0.00 C ATOM 760 CG1 VAL A 51 13.083 8.369 -2.840 1.00 0.00 C ATOM 761 CG2 VAL A 51 11.569 10.045 -1.718 1.00 0.00 C ATOM 0 H VAL A 51 13.373 10.075 0.654 1.00 0.00 H new ATOM 0 HA VAL A 51 11.760 7.963 -0.255 1.00 0.00 H new ATOM 0 HB VAL A 51 13.683 9.893 -1.471 1.00 0.00 H new ATOM 0 HG11 VAL A 51 13.118 9.022 -3.712 1.00 0.00 H new ATOM 0 HG12 VAL A 51 14.030 7.837 -2.746 1.00 0.00 H new ATOM 0 HG13 VAL A 51 12.273 7.650 -2.958 1.00 0.00 H new ATOM 0 HG21 VAL A 51 11.634 10.665 -2.612 1.00 0.00 H new ATOM 0 HG22 VAL A 51 10.706 9.384 -1.797 1.00 0.00 H new ATOM 0 HG23 VAL A 51 11.458 10.683 -0.841 1.00 0.00 H new ATOM 771 N GLU A 52 14.972 7.322 -0.171 1.00 0.00 N ATOM 772 CA GLU A 52 15.949 6.248 -0.226 1.00 0.00 C ATOM 773 C GLU A 52 15.717 5.261 0.920 1.00 0.00 C ATOM 774 O GLU A 52 15.722 4.049 0.711 1.00 0.00 O ATOM 775 CB GLU A 52 17.375 6.801 -0.192 1.00 0.00 C ATOM 776 CG GLU A 52 18.016 6.581 1.179 1.00 0.00 C ATOM 777 CD GLU A 52 19.441 7.139 1.215 1.00 0.00 C ATOM 778 OE1 GLU A 52 20.285 6.588 0.475 1.00 0.00 O ATOM 779 OE2 GLU A 52 19.653 8.104 1.981 1.00 0.00 O ATOM 0 H GLU A 52 15.354 8.234 0.080 1.00 0.00 H new ATOM 0 HA GLU A 52 15.823 5.717 -1.169 1.00 0.00 H new ATOM 0 HB2 GLU A 52 17.976 6.315 -0.960 1.00 0.00 H new ATOM 0 HB3 GLU A 52 17.361 7.866 -0.424 1.00 0.00 H new ATOM 0 HG2 GLU A 52 17.413 7.064 1.948 1.00 0.00 H new ATOM 0 HG3 GLU A 52 18.033 5.516 1.410 1.00 0.00 H new ATOM 786 N GLN A 53 15.519 5.816 2.107 1.00 0.00 N ATOM 787 CA GLN A 53 15.285 5.000 3.286 1.00 0.00 C ATOM 788 C GLN A 53 14.191 3.968 3.008 1.00 0.00 C ATOM 789 O GLN A 53 14.366 2.782 3.286 1.00 0.00 O ATOM 790 CB GLN A 53 14.925 5.870 4.492 1.00 0.00 C ATOM 791 CG GLN A 53 16.165 6.182 5.332 1.00 0.00 C ATOM 792 CD GLN A 53 15.870 6.023 6.825 1.00 0.00 C ATOM 793 OE1 GLN A 53 15.339 5.022 7.276 1.00 0.00 O ATOM 794 NE2 GLN A 53 16.243 7.064 7.564 1.00 0.00 N ATOM 0 H GLN A 53 15.516 6.822 2.277 1.00 0.00 H new ATOM 0 HA GLN A 53 16.206 4.469 3.525 1.00 0.00 H new ATOM 0 HB2 GLN A 53 14.469 6.799 4.151 1.00 0.00 H new ATOM 0 HB3 GLN A 53 14.184 5.358 5.106 1.00 0.00 H new ATOM 0 HG2 GLN A 53 16.979 5.517 5.046 1.00 0.00 H new ATOM 0 HG3 GLN A 53 16.499 7.200 5.130 1.00 0.00 H new ATOM 0 HE21 GLN A 53 16.683 7.871 7.122 1.00 0.00 H new ATOM 0 HE22 GLN A 53 16.089 7.055 8.572 1.00 0.00 H new ATOM 803 N PHE A 54 13.086 4.455 2.464 1.00 0.00 N ATOM 804 CA PHE A 54 11.963 3.590 2.146 1.00 0.00 C ATOM 805 C PHE A 54 12.308 2.646 0.992 1.00 0.00 C ATOM 806 O PHE A 54 12.336 1.429 1.168 1.00 0.00 O ATOM 807 CB PHE A 54 10.806 4.495 1.720 1.00 0.00 C ATOM 808 CG PHE A 54 9.438 3.812 1.748 1.00 0.00 C ATOM 809 CD1 PHE A 54 9.047 3.030 0.706 1.00 0.00 C ATOM 810 CD2 PHE A 54 8.612 3.987 2.814 1.00 0.00 C ATOM 811 CE1 PHE A 54 7.777 2.395 0.732 1.00 0.00 C ATOM 812 CE2 PHE A 54 7.342 3.352 2.840 1.00 0.00 C ATOM 813 CZ PHE A 54 6.951 2.570 1.798 1.00 0.00 C ATOM 0 H PHE A 54 12.944 5.439 2.235 1.00 0.00 H new ATOM 0 HA PHE A 54 11.705 2.982 3.013 1.00 0.00 H new ATOM 0 HB2 PHE A 54 10.779 5.366 2.375 1.00 0.00 H new ATOM 0 HB3 PHE A 54 10.997 4.861 0.711 1.00 0.00 H new ATOM 0 HD1 PHE A 54 9.702 2.892 -0.141 1.00 0.00 H new ATOM 0 HD2 PHE A 54 8.922 4.609 3.641 1.00 0.00 H new ATOM 0 HE1 PHE A 54 7.467 1.773 -0.095 1.00 0.00 H new ATOM 0 HE2 PHE A 54 6.687 3.490 3.687 1.00 0.00 H new ATOM 0 HZ PHE A 54 5.985 2.088 1.817 1.00 0.00 H new ATOM 823 N CYS A 55 12.562 3.243 -0.163 1.00 0.00 N ATOM 824 CA CYS A 55 12.904 2.471 -1.345 1.00 0.00 C ATOM 825 C CYS A 55 13.784 1.296 -0.914 1.00 0.00 C ATOM 826 O CYS A 55 13.715 0.216 -1.499 1.00 0.00 O ATOM 827 CB CYS A 55 13.587 3.336 -2.407 1.00 0.00 C ATOM 828 SG CYS A 55 15.396 3.354 -2.131 1.00 0.00 S ATOM 0 H CYS A 55 12.538 4.253 -0.305 1.00 0.00 H new ATOM 0 HA CYS A 55 11.994 2.091 -1.810 1.00 0.00 H new ATOM 0 HB2 CYS A 55 13.366 2.947 -3.401 1.00 0.00 H new ATOM 0 HB3 CYS A 55 13.195 4.352 -2.368 1.00 0.00 H new ATOM 0 HG CYS A 55 15.640 3.530 -0.866 1.00 0.00 H new ATOM 834 N ALA A 56 14.591 1.546 0.106 1.00 0.00 N ATOM 835 CA ALA A 56 15.484 0.522 0.623 1.00 0.00 C ATOM 836 C ALA A 56 14.725 -0.353 1.622 1.00 0.00 C ATOM 837 O ALA A 56 14.501 -1.536 1.372 1.00 0.00 O ATOM 838 CB ALA A 56 16.715 1.184 1.245 1.00 0.00 C ATOM 0 H ALA A 56 14.646 2.443 0.589 1.00 0.00 H new ATOM 0 HA ALA A 56 15.834 -0.124 -0.182 1.00 0.00 H new ATOM 0 HB1 ALA A 56 17.384 0.416 1.633 1.00 0.00 H new ATOM 0 HB2 ALA A 56 17.235 1.770 0.487 1.00 0.00 H new ATOM 0 HB3 ALA A 56 16.404 1.839 2.059 1.00 0.00 H new ATOM 844 N GLU A 57 14.349 0.263 2.733 1.00 0.00 N ATOM 845 CA GLU A 57 13.620 -0.445 3.771 1.00 0.00 C ATOM 846 C GLU A 57 12.542 -1.336 3.149 1.00 0.00 C ATOM 847 O GLU A 57 12.649 -2.561 3.184 1.00 0.00 O ATOM 848 CB GLU A 57 13.009 0.532 4.777 1.00 0.00 C ATOM 849 CG GLU A 57 13.866 0.626 6.041 1.00 0.00 C ATOM 850 CD GLU A 57 13.139 0.019 7.243 1.00 0.00 C ATOM 851 OE1 GLU A 57 12.239 0.708 7.769 1.00 0.00 O ATOM 852 OE2 GLU A 57 13.501 -1.121 7.608 1.00 0.00 O ATOM 0 H GLU A 57 14.536 1.245 2.937 1.00 0.00 H new ATOM 0 HA GLU A 57 14.322 -1.080 4.312 1.00 0.00 H new ATOM 0 HB2 GLU A 57 12.917 1.518 4.322 1.00 0.00 H new ATOM 0 HB3 GLU A 57 12.002 0.207 5.039 1.00 0.00 H new ATOM 0 HG2 GLU A 57 14.811 0.107 5.883 1.00 0.00 H new ATOM 0 HG3 GLU A 57 14.106 1.669 6.245 1.00 0.00 H new ATOM 859 N THR A 58 11.529 -0.687 2.595 1.00 0.00 N ATOM 860 CA THR A 58 10.434 -1.405 1.967 1.00 0.00 C ATOM 861 C THR A 58 10.950 -2.253 0.803 1.00 0.00 C ATOM 862 O THR A 58 10.661 -3.446 0.723 1.00 0.00 O ATOM 863 CB THR A 58 9.375 -0.382 1.550 1.00 0.00 C ATOM 864 OG1 THR A 58 10.091 0.848 1.476 1.00 0.00 O ATOM 865 CG2 THR A 58 8.332 -0.140 2.643 1.00 0.00 C ATOM 0 H THR A 58 11.444 0.329 2.568 1.00 0.00 H new ATOM 0 HA THR A 58 9.973 -2.108 2.661 1.00 0.00 H new ATOM 0 HB THR A 58 8.877 -0.724 0.643 1.00 0.00 H new ATOM 0 HG1 THR A 58 9.462 1.597 1.539 1.00 0.00 H new ATOM 0 HG21 THR A 58 7.605 0.594 2.296 1.00 0.00 H new ATOM 0 HG22 THR A 58 7.822 -1.076 2.873 1.00 0.00 H new ATOM 0 HG23 THR A 58 8.825 0.235 3.540 1.00 0.00 H new ATOM 873 N GLY A 59 11.707 -1.604 -0.070 1.00 0.00 N ATOM 874 CA GLY A 59 12.266 -2.284 -1.226 1.00 0.00 C ATOM 875 C GLY A 59 11.658 -1.750 -2.524 1.00 0.00 C ATOM 876 O GLY A 59 11.857 -2.328 -3.592 1.00 0.00 O ATOM 0 H GLY A 59 11.946 -0.615 0.000 1.00 0.00 H new ATOM 0 HA2 GLY A 59 13.347 -2.148 -1.244 1.00 0.00 H new ATOM 0 HA3 GLY A 59 12.080 -3.355 -1.147 1.00 0.00 H new ATOM 880 N VAL A 60 10.928 -0.652 -2.391 1.00 0.00 N ATOM 881 CA VAL A 60 10.289 -0.034 -3.540 1.00 0.00 C ATOM 882 C VAL A 60 11.309 0.835 -4.278 1.00 0.00 C ATOM 883 O VAL A 60 12.342 1.199 -3.717 1.00 0.00 O ATOM 884 CB VAL A 60 9.051 0.747 -3.093 1.00 0.00 C ATOM 885 CG1 VAL A 60 8.604 0.312 -1.696 1.00 0.00 C ATOM 886 CG2 VAL A 60 9.306 2.254 -3.142 1.00 0.00 C ATOM 0 H VAL A 60 10.765 -0.175 -1.505 1.00 0.00 H new ATOM 0 HA VAL A 60 9.942 -0.795 -4.240 1.00 0.00 H new ATOM 0 HB VAL A 60 8.243 0.521 -3.789 1.00 0.00 H new ATOM 0 HG11 VAL A 60 7.723 0.882 -1.402 1.00 0.00 H new ATOM 0 HG12 VAL A 60 8.362 -0.751 -1.706 1.00 0.00 H new ATOM 0 HG13 VAL A 60 9.408 0.494 -0.983 1.00 0.00 H new ATOM 0 HG21 VAL A 60 8.410 2.785 -2.820 1.00 0.00 H new ATOM 0 HG22 VAL A 60 10.135 2.505 -2.480 1.00 0.00 H new ATOM 0 HG23 VAL A 60 9.555 2.548 -4.162 1.00 0.00 H new ATOM 896 N ARG A 61 10.984 1.143 -5.525 1.00 0.00 N ATOM 897 CA ARG A 61 11.859 1.962 -6.346 1.00 0.00 C ATOM 898 C ARG A 61 11.375 3.413 -6.354 1.00 0.00 C ATOM 899 O ARG A 61 10.178 3.671 -6.469 1.00 0.00 O ATOM 900 CB ARG A 61 11.912 1.441 -7.784 1.00 0.00 C ATOM 901 CG ARG A 61 12.103 -0.076 -7.811 1.00 0.00 C ATOM 902 CD ARG A 61 13.484 -0.445 -8.359 1.00 0.00 C ATOM 903 NE ARG A 61 13.594 -1.914 -8.506 1.00 0.00 N ATOM 904 CZ ARG A 61 14.674 -2.541 -8.992 1.00 0.00 C ATOM 905 NH1 ARG A 61 15.742 -1.832 -9.380 1.00 0.00 N ATOM 906 NH2 ARG A 61 14.685 -3.878 -9.090 1.00 0.00 N ATOM 0 H ARG A 61 10.126 0.840 -5.987 1.00 0.00 H new ATOM 0 HA ARG A 61 12.859 1.912 -5.916 1.00 0.00 H new ATOM 0 HB2 ARG A 61 10.991 1.704 -8.304 1.00 0.00 H new ATOM 0 HB3 ARG A 61 12.730 1.924 -8.319 1.00 0.00 H new ATOM 0 HG2 ARG A 61 11.988 -0.479 -6.805 1.00 0.00 H new ATOM 0 HG3 ARG A 61 11.329 -0.533 -8.428 1.00 0.00 H new ATOM 0 HD2 ARG A 61 13.643 0.038 -9.323 1.00 0.00 H new ATOM 0 HD3 ARG A 61 14.261 -0.079 -7.687 1.00 0.00 H new ATOM 0 HE ARG A 61 12.798 -2.484 -8.220 1.00 0.00 H new ATOM 0 HH11 ARG A 61 15.733 -0.815 -9.306 1.00 0.00 H new ATOM 0 HH12 ARG A 61 16.564 -2.309 -9.750 1.00 0.00 H new ATOM 0 HH21 ARG A 61 13.871 -4.418 -8.795 1.00 0.00 H new ATOM 0 HH22 ARG A 61 15.507 -4.356 -9.460 1.00 0.00 H new ATOM 920 N ARG A 62 12.330 4.323 -6.231 1.00 0.00 N ATOM 921 CA ARG A 62 12.016 5.741 -6.222 1.00 0.00 C ATOM 922 C ARG A 62 10.868 6.037 -7.189 1.00 0.00 C ATOM 923 O ARG A 62 9.818 6.530 -6.780 1.00 0.00 O ATOM 924 CB ARG A 62 13.234 6.578 -6.617 1.00 0.00 C ATOM 925 CG ARG A 62 12.937 8.074 -6.490 1.00 0.00 C ATOM 926 CD ARG A 62 12.598 8.683 -7.853 1.00 0.00 C ATOM 927 NE ARG A 62 13.843 9.026 -8.576 1.00 0.00 N ATOM 928 CZ ARG A 62 13.897 9.311 -9.885 1.00 0.00 C ATOM 929 NH1 ARG A 62 12.777 9.295 -10.620 1.00 0.00 N ATOM 930 NH2 ARG A 62 15.070 9.612 -10.457 1.00 0.00 N ATOM 0 H ARG A 62 13.322 4.105 -6.137 1.00 0.00 H new ATOM 0 HA ARG A 62 11.719 6.008 -5.208 1.00 0.00 H new ATOM 0 HB2 ARG A 62 14.081 6.317 -5.982 1.00 0.00 H new ATOM 0 HB3 ARG A 62 13.521 6.347 -7.643 1.00 0.00 H new ATOM 0 HG2 ARG A 62 12.105 8.226 -5.802 1.00 0.00 H new ATOM 0 HG3 ARG A 62 13.800 8.585 -6.064 1.00 0.00 H new ATOM 0 HD2 ARG A 62 12.009 7.978 -8.440 1.00 0.00 H new ATOM 0 HD3 ARG A 62 11.987 9.576 -7.720 1.00 0.00 H new ATOM 0 HE ARG A 62 14.714 9.047 -8.046 1.00 0.00 H new ATOM 0 HH11 ARG A 62 11.884 9.066 -10.184 1.00 0.00 H new ATOM 0 HH12 ARG A 62 12.817 9.512 -11.616 1.00 0.00 H new ATOM 0 HH21 ARG A 62 15.922 9.624 -9.897 1.00 0.00 H new ATOM 0 HH22 ARG A 62 15.111 9.829 -11.453 1.00 0.00 H new ATOM 944 N GLN A 63 11.106 5.722 -8.454 1.00 0.00 N ATOM 945 CA GLN A 63 10.105 5.948 -9.483 1.00 0.00 C ATOM 946 C GLN A 63 8.791 5.262 -9.104 1.00 0.00 C ATOM 947 O GLN A 63 7.723 5.864 -9.200 1.00 0.00 O ATOM 948 CB GLN A 63 10.603 5.464 -10.847 1.00 0.00 C ATOM 949 CG GLN A 63 10.597 3.936 -10.923 1.00 0.00 C ATOM 950 CD GLN A 63 11.227 3.450 -12.229 1.00 0.00 C ATOM 951 OE1 GLN A 63 12.098 4.083 -12.802 1.00 0.00 O ATOM 952 NE2 GLN A 63 10.739 2.292 -12.667 1.00 0.00 N ATOM 0 H GLN A 63 11.978 5.312 -8.790 1.00 0.00 H new ATOM 0 HA GLN A 63 9.924 7.020 -9.558 1.00 0.00 H new ATOM 0 HB2 GLN A 63 9.971 5.873 -11.635 1.00 0.00 H new ATOM 0 HB3 GLN A 63 11.612 5.836 -11.023 1.00 0.00 H new ATOM 0 HG2 GLN A 63 11.145 3.524 -10.075 1.00 0.00 H new ATOM 0 HG3 GLN A 63 9.573 3.569 -10.850 1.00 0.00 H new ATOM 0 HE21 GLN A 63 10.010 1.813 -12.138 1.00 0.00 H new ATOM 0 HE22 GLN A 63 11.094 1.883 -13.531 1.00 0.00 H new ATOM 961 N VAL A 64 8.913 4.012 -8.682 1.00 0.00 N ATOM 962 CA VAL A 64 7.748 3.238 -8.288 1.00 0.00 C ATOM 963 C VAL A 64 6.980 3.997 -7.204 1.00 0.00 C ATOM 964 O VAL A 64 5.767 4.171 -7.304 1.00 0.00 O ATOM 965 CB VAL A 64 8.175 1.836 -7.849 1.00 0.00 C ATOM 966 CG1 VAL A 64 6.983 1.046 -7.304 1.00 0.00 C ATOM 967 CG2 VAL A 64 8.852 1.085 -8.997 1.00 0.00 C ATOM 0 H VAL A 64 9.801 3.516 -8.604 1.00 0.00 H new ATOM 0 HA VAL A 64 7.072 3.107 -9.133 1.00 0.00 H new ATOM 0 HB VAL A 64 8.902 1.943 -7.044 1.00 0.00 H new ATOM 0 HG11 VAL A 64 7.313 0.053 -6.999 1.00 0.00 H new ATOM 0 HG12 VAL A 64 6.563 1.568 -6.445 1.00 0.00 H new ATOM 0 HG13 VAL A 64 6.223 0.953 -8.080 1.00 0.00 H new ATOM 0 HG21 VAL A 64 9.146 0.091 -8.659 1.00 0.00 H new ATOM 0 HG22 VAL A 64 8.157 0.993 -9.832 1.00 0.00 H new ATOM 0 HG23 VAL A 64 9.736 1.634 -9.320 1.00 0.00 H new ATOM 977 N LEU A 65 7.719 4.426 -6.191 1.00 0.00 N ATOM 978 CA LEU A 65 7.123 5.162 -5.089 1.00 0.00 C ATOM 979 C LEU A 65 6.507 6.458 -5.620 1.00 0.00 C ATOM 980 O LEU A 65 5.316 6.705 -5.434 1.00 0.00 O ATOM 981 CB LEU A 65 8.147 5.380 -3.974 1.00 0.00 C ATOM 982 CG LEU A 65 7.689 6.250 -2.802 1.00 0.00 C ATOM 983 CD1 LEU A 65 6.352 5.758 -2.244 1.00 0.00 C ATOM 984 CD2 LEU A 65 8.769 6.328 -1.721 1.00 0.00 C ATOM 0 H LEU A 65 8.725 4.278 -6.110 1.00 0.00 H new ATOM 0 HA LEU A 65 6.315 4.585 -4.640 1.00 0.00 H new ATOM 0 HB2 LEU A 65 8.442 4.406 -3.584 1.00 0.00 H new ATOM 0 HB3 LEU A 65 9.038 5.832 -4.410 1.00 0.00 H new ATOM 0 HG LEU A 65 7.530 7.264 -3.170 1.00 0.00 H new ATOM 0 HD11 LEU A 65 6.049 6.394 -1.412 1.00 0.00 H new ATOM 0 HD12 LEU A 65 5.594 5.799 -3.026 1.00 0.00 H new ATOM 0 HD13 LEU A 65 6.459 4.731 -1.896 1.00 0.00 H new ATOM 0 HD21 LEU A 65 8.417 6.952 -0.900 1.00 0.00 H new ATOM 0 HD22 LEU A 65 8.984 5.326 -1.349 1.00 0.00 H new ATOM 0 HD23 LEU A 65 9.676 6.761 -2.143 1.00 0.00 H new ATOM 996 N LYS A 66 7.346 7.251 -6.271 1.00 0.00 N ATOM 997 CA LYS A 66 6.899 8.515 -6.830 1.00 0.00 C ATOM 998 C LYS A 66 5.692 8.268 -7.737 1.00 0.00 C ATOM 999 O LYS A 66 4.646 8.894 -7.569 1.00 0.00 O ATOM 1000 CB LYS A 66 8.056 9.232 -7.528 1.00 0.00 C ATOM 1001 CG LYS A 66 7.625 10.611 -8.030 1.00 0.00 C ATOM 1002 CD LYS A 66 7.903 10.761 -9.527 1.00 0.00 C ATOM 1003 CE LYS A 66 9.385 11.038 -9.785 1.00 0.00 C ATOM 1004 NZ LYS A 66 9.546 12.008 -10.891 1.00 0.00 N ATOM 0 H LYS A 66 8.333 7.042 -6.424 1.00 0.00 H new ATOM 0 HA LYS A 66 6.571 9.187 -6.037 1.00 0.00 H new ATOM 0 HB2 LYS A 66 8.892 9.338 -6.837 1.00 0.00 H new ATOM 0 HB3 LYS A 66 8.409 8.630 -8.366 1.00 0.00 H new ATOM 0 HG2 LYS A 66 6.562 10.756 -7.838 1.00 0.00 H new ATOM 0 HG3 LYS A 66 8.157 11.386 -7.478 1.00 0.00 H new ATOM 0 HD2 LYS A 66 7.603 9.852 -10.049 1.00 0.00 H new ATOM 0 HD3 LYS A 66 7.301 11.575 -9.932 1.00 0.00 H new ATOM 0 HE2 LYS A 66 9.851 11.428 -8.880 1.00 0.00 H new ATOM 0 HE3 LYS A 66 9.897 10.108 -10.032 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 10.558 12.185 -11.053 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 9.119 11.621 -11.757 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 9.074 12.901 -10.641 1.00 0.00 H new ATOM 1018 N ILE A 67 5.877 7.355 -8.679 1.00 0.00 N ATOM 1019 CA ILE A 67 4.816 7.018 -9.613 1.00 0.00 C ATOM 1020 C ILE A 67 3.602 6.504 -8.836 1.00 0.00 C ATOM 1021 O ILE A 67 2.462 6.771 -9.212 1.00 0.00 O ATOM 1022 CB ILE A 67 5.326 6.040 -10.673 1.00 0.00 C ATOM 1023 CG1 ILE A 67 6.497 6.640 -11.454 1.00 0.00 C ATOM 1024 CG2 ILE A 67 4.192 5.591 -11.596 1.00 0.00 C ATOM 1025 CD1 ILE A 67 7.322 5.545 -12.134 1.00 0.00 C ATOM 0 H ILE A 67 6.746 6.838 -8.816 1.00 0.00 H new ATOM 0 HA ILE A 67 4.494 7.905 -10.159 1.00 0.00 H new ATOM 0 HB ILE A 67 5.699 5.150 -10.166 1.00 0.00 H new ATOM 0 HG12 ILE A 67 6.120 7.335 -12.204 1.00 0.00 H new ATOM 0 HG13 ILE A 67 7.133 7.213 -10.779 1.00 0.00 H new ATOM 0 HG21 ILE A 67 4.582 4.896 -12.340 1.00 0.00 H new ATOM 0 HG22 ILE A 67 3.419 5.097 -11.008 1.00 0.00 H new ATOM 0 HG23 ILE A 67 3.766 6.460 -12.098 1.00 0.00 H new ATOM 0 HD11 ILE A 67 8.148 5.999 -12.682 1.00 0.00 H new ATOM 0 HD12 ILE A 67 7.718 4.866 -11.379 1.00 0.00 H new ATOM 0 HD13 ILE A 67 6.689 4.989 -12.826 1.00 0.00 H new ATOM 1037 N TRP A 68 3.889 5.776 -7.767 1.00 0.00 N ATOM 1038 CA TRP A 68 2.836 5.222 -6.933 1.00 0.00 C ATOM 1039 C TRP A 68 2.019 6.386 -6.368 1.00 0.00 C ATOM 1040 O TRP A 68 0.791 6.371 -6.420 1.00 0.00 O ATOM 1041 CB TRP A 68 3.416 4.315 -5.846 1.00 0.00 C ATOM 1042 CG TRP A 68 2.365 3.711 -4.913 1.00 0.00 C ATOM 1043 CD1 TRP A 68 1.769 2.514 -5.006 1.00 0.00 C ATOM 1044 CD2 TRP A 68 1.805 4.328 -3.734 1.00 0.00 C ATOM 1045 NE1 TRP A 68 0.871 2.316 -3.978 1.00 0.00 N ATOM 1046 CE2 TRP A 68 0.893 3.454 -3.180 1.00 0.00 C ATOM 1047 CE3 TRP A 68 2.061 5.584 -3.156 1.00 0.00 C ATOM 1048 CZ2 TRP A 68 0.164 3.740 -2.020 1.00 0.00 C ATOM 1049 CZ3 TRP A 68 1.325 5.855 -1.997 1.00 0.00 C ATOM 1050 CH2 TRP A 68 0.403 4.986 -1.426 1.00 0.00 C ATOM 0 H TRP A 68 4.836 5.557 -7.459 1.00 0.00 H new ATOM 0 HA TRP A 68 2.175 4.585 -7.520 1.00 0.00 H new ATOM 0 HB2 TRP A 68 3.973 3.507 -6.320 1.00 0.00 H new ATOM 0 HB3 TRP A 68 4.128 4.887 -5.252 1.00 0.00 H new ATOM 0 HD1 TRP A 68 1.967 1.795 -5.787 1.00 0.00 H new ATOM 0 HE1 TRP A 68 0.296 1.486 -3.830 1.00 0.00 H new ATOM 0 HE3 TRP A 68 2.770 6.284 -3.573 1.00 0.00 H new ATOM 0 HZ2 TRP A 68 -0.544 3.038 -1.605 1.00 0.00 H new ATOM 0 HZ3 TRP A 68 1.485 6.807 -1.512 1.00 0.00 H new ATOM 0 HH2 TRP A 68 -0.127 5.270 -0.529 1.00 0.00 H new ATOM 1061 N MET A 69 2.736 7.368 -5.840 1.00 0.00 N ATOM 1062 CA MET A 69 2.093 8.538 -5.265 1.00 0.00 C ATOM 1063 C MET A 69 1.186 9.223 -6.288 1.00 0.00 C ATOM 1064 O MET A 69 0.028 9.520 -5.997 1.00 0.00 O ATOM 1065 CB MET A 69 3.160 9.524 -4.787 1.00 0.00 C ATOM 1066 CG MET A 69 3.775 9.067 -3.462 1.00 0.00 C ATOM 1067 SD MET A 69 5.536 8.843 -3.651 1.00 0.00 S ATOM 1068 CE MET A 69 6.129 10.022 -2.449 1.00 0.00 C ATOM 0 H MET A 69 3.755 7.377 -5.798 1.00 0.00 H new ATOM 0 HA MET A 69 1.481 8.216 -4.423 1.00 0.00 H new ATOM 0 HB2 MET A 69 3.941 9.615 -5.542 1.00 0.00 H new ATOM 0 HB3 MET A 69 2.718 10.513 -4.665 1.00 0.00 H new ATOM 0 HG2 MET A 69 3.575 9.805 -2.685 1.00 0.00 H new ATOM 0 HG3 MET A 69 3.314 8.133 -3.140 1.00 0.00 H new ATOM 0 HE1 MET A 69 7.129 9.737 -2.122 1.00 0.00 H new ATOM 0 HE2 MET A 69 6.164 11.014 -2.899 1.00 0.00 H new ATOM 0 HE3 MET A 69 5.457 10.036 -1.591 1.00 0.00 H new ATOM 1078 N HIS A 70 1.746 9.456 -7.466 1.00 0.00 N ATOM 1079 CA HIS A 70 1.002 10.101 -8.535 1.00 0.00 C ATOM 1080 C HIS A 70 -0.190 9.227 -8.931 1.00 0.00 C ATOM 1081 O HIS A 70 -1.177 9.725 -9.469 1.00 0.00 O ATOM 1082 CB HIS A 70 1.919 10.425 -9.716 1.00 0.00 C ATOM 1083 CG HIS A 70 1.217 11.097 -10.872 1.00 0.00 C ATOM 1084 ND1 HIS A 70 0.343 10.601 -11.795 1.00 0.00 N flip ATOM 1085 CD2 HIS A 70 1.386 12.437 -11.175 1.00 0.00 C flip ATOM 1086 CE1 HIS A 70 -0.003 11.584 -12.616 1.00 0.00 C flip ATOM 1087 NE2 HIS A 70 0.642 12.723 -12.234 1.00 0.00 N flip ATOM 0 H HIS A 70 2.707 9.210 -7.704 1.00 0.00 H new ATOM 0 HA HIS A 70 0.607 11.055 -8.184 1.00 0.00 H new ATOM 0 HB2 HIS A 70 2.726 11.070 -9.370 1.00 0.00 H new ATOM 0 HB3 HIS A 70 2.378 9.502 -10.070 1.00 0.00 H new ATOM 0 HD2 HIS A 70 2.017 13.131 -10.640 1.00 0.00 H new ATOM 0 HE1 HIS A 70 -0.684 11.496 -13.450 1.00 0.00 H new ATOM 0 HE2 HIS A 70 0.565 13.635 -12.684 1.00 0.00 H new ATOM 1095 N ASN A 71 -0.058 7.940 -8.648 1.00 0.00 N ATOM 1096 CA ASN A 71 -1.112 6.992 -8.968 1.00 0.00 C ATOM 1097 C ASN A 71 -2.038 6.838 -7.760 1.00 0.00 C ATOM 1098 O ASN A 71 -2.673 5.799 -7.589 1.00 0.00 O ATOM 1099 CB ASN A 71 -0.532 5.615 -9.298 1.00 0.00 C ATOM 1100 CG ASN A 71 -0.517 5.374 -10.809 1.00 0.00 C ATOM 1101 OD1 ASN A 71 -1.538 5.157 -11.439 1.00 0.00 O ATOM 1102 ND2 ASN A 71 0.696 5.423 -11.352 1.00 0.00 N ATOM 0 H ASN A 71 0.762 7.531 -8.201 1.00 0.00 H new ATOM 0 HA ASN A 71 -1.656 7.371 -9.833 1.00 0.00 H new ATOM 0 HB2 ASN A 71 0.482 5.539 -8.904 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -1.123 4.841 -8.809 1.00 0.00 H new ATOM 0 HD21 ASN A 71 0.812 5.274 -12.354 1.00 0.00 H new ATOM 0 HD22 ASN A 71 1.510 5.610 -10.766 1.00 0.00 H new ATOM 1109 N ASN A 72 -2.084 7.888 -6.953 1.00 0.00 N ATOM 1110 CA ASN A 72 -2.922 7.883 -5.766 1.00 0.00 C ATOM 1111 C ASN A 72 -3.537 9.271 -5.575 1.00 0.00 C ATOM 1112 O ASN A 72 -4.752 9.434 -5.677 1.00 0.00 O ATOM 1113 CB ASN A 72 -2.104 7.553 -4.516 1.00 0.00 C ATOM 1114 CG ASN A 72 -1.994 6.040 -4.317 1.00 0.00 C ATOM 1115 OD1 ASN A 72 -2.915 5.378 -3.867 1.00 0.00 O ATOM 1116 ND2 ASN A 72 -0.819 5.531 -4.675 1.00 0.00 N ATOM 0 H ASN A 72 -1.555 8.748 -7.098 1.00 0.00 H new ATOM 0 HA ASN A 72 -3.695 7.126 -5.902 1.00 0.00 H new ATOM 0 HB2 ASN A 72 -1.107 7.985 -4.605 1.00 0.00 H new ATOM 0 HB3 ASN A 72 -2.571 8.006 -3.641 1.00 0.00 H new ATOM 0 HD21 ASN A 72 -0.646 4.530 -4.580 1.00 0.00 H new ATOM 0 HD22 ASN A 72 -0.090 6.141 -5.045 1.00 0.00 H new ATOM 1123 N LYS A 73 -2.671 10.235 -5.301 1.00 0.00 N ATOM 1124 CA LYS A 73 -3.113 11.603 -5.095 1.00 0.00 C ATOM 1125 C LYS A 73 -4.140 11.970 -6.169 1.00 0.00 C ATOM 1126 O LYS A 73 -5.130 12.641 -5.883 1.00 0.00 O ATOM 1127 CB LYS A 73 -1.915 12.552 -5.041 1.00 0.00 C ATOM 1128 CG LYS A 73 -1.245 12.669 -6.412 1.00 0.00 C ATOM 1129 CD LYS A 73 -0.227 13.811 -6.429 1.00 0.00 C ATOM 1130 CE LYS A 73 1.202 13.272 -6.326 1.00 0.00 C ATOM 1131 NZ LYS A 73 2.117 14.065 -7.176 1.00 0.00 N ATOM 0 H LYS A 73 -1.664 10.095 -5.217 1.00 0.00 H new ATOM 0 HA LYS A 73 -3.611 11.700 -4.130 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -2.242 13.537 -4.707 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -1.193 12.190 -4.309 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -0.748 11.731 -6.659 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -2.002 12.840 -7.177 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -0.337 14.388 -7.347 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -0.424 14.491 -5.600 1.00 0.00 H new ATOM 0 HE2 LYS A 73 1.537 13.308 -5.289 1.00 0.00 H new ATOM 0 HE3 LYS A 73 1.226 12.226 -6.633 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 3.082 13.686 -7.095 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 1.806 14.010 -8.167 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 2.107 15.057 -6.865 1.00 0.00 H new