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= -0.0369 USER MOD Single : A 28 GLN : amide:sc= -6.35! C(o=-6.4!,f=-7.4!) USER MOD Single : A 29 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.0178) USER MOD Single : A 31 LYS NZ :NH3+ -164:sc= 0 (180deg=-0.0489) USER MOD Single : A 32 MET CE :methyl -158:sc= -0.398 (180deg=-0.769) USER MOD Single : A 44 GLN : amide:sc= -0.016 X(o=-0.016,f=0) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 HIS : no HD1:sc= -5.43! C(o=-5.4!,f=-7.3!) USER MOD Single : A 53 GLN : amide:sc= -0.0042 X(o=-0.0042,f=0) USER MOD Single : A 55 CYS SG : rot 180:sc= -0.027 USER MOD Single : A 58 THR OG1 : rot -172:sc= -0.0357 USER MOD Single : A 63 GLN : amide:sc= 0 K(o=0,f=-0.53) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 MET CE :methyl 158:sc= -2.39 (180deg=-4.4!) USER MOD Single : A 70 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 71 ASN : amide:sc= -0.181 X(o=-0.18,f=-0.042) USER MOD Single : A 72 ASN : amide:sc= -0.126! K(o=-0.13!,f=-0.95) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 326 N THR A 25 3.220 -5.619 -1.479 1.00 0.00 N ATOM 327 CA THR A 25 2.619 -6.229 -0.305 1.00 0.00 C ATOM 328 C THR A 25 1.988 -5.159 0.588 1.00 0.00 C ATOM 329 O THR A 25 2.394 -3.998 0.554 1.00 0.00 O ATOM 330 CB THR A 25 3.695 -7.053 0.403 1.00 0.00 C ATOM 331 OG1 THR A 25 3.014 -7.637 1.510 1.00 0.00 O ATOM 332 CG2 THR A 25 4.773 -6.179 1.048 1.00 0.00 C ATOM 0 HA THR A 25 1.805 -6.899 -0.581 1.00 0.00 H new ATOM 0 HB THR A 25 4.159 -7.733 -0.311 1.00 0.00 H new ATOM 0 HG1 THR A 25 3.639 -8.190 2.023 1.00 0.00 H new ATOM 0 HG21 THR A 25 5.512 -6.814 1.537 1.00 0.00 H new ATOM 0 HG22 THR A 25 5.262 -5.578 0.281 1.00 0.00 H new ATOM 0 HG23 THR A 25 4.314 -5.521 1.786 1.00 0.00 H new ATOM 340 N ALA A 26 1.004 -5.587 1.366 1.00 0.00 N ATOM 341 CA ALA A 26 0.313 -4.680 2.266 1.00 0.00 C ATOM 342 C ALA A 26 1.329 -3.732 2.907 1.00 0.00 C ATOM 343 O ALA A 26 1.143 -2.516 2.892 1.00 0.00 O ATOM 344 CB ALA A 26 -0.466 -5.488 3.306 1.00 0.00 C ATOM 0 H ALA A 26 0.669 -6.550 1.391 1.00 0.00 H new ATOM 0 HA ALA A 26 -0.407 -4.071 1.719 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -0.985 -4.808 3.981 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -1.194 -6.124 2.802 1.00 0.00 H new ATOM 0 HB3 ALA A 26 0.225 -6.109 3.876 1.00 0.00 H new ATOM 350 N GLU A 27 2.380 -4.324 3.454 1.00 0.00 N ATOM 351 CA GLU A 27 3.425 -3.547 4.098 1.00 0.00 C ATOM 352 C GLU A 27 3.760 -2.310 3.261 1.00 0.00 C ATOM 353 O GLU A 27 3.664 -1.184 3.745 1.00 0.00 O ATOM 354 CB GLU A 27 4.672 -4.399 4.340 1.00 0.00 C ATOM 355 CG GLU A 27 5.238 -4.159 5.741 1.00 0.00 C ATOM 356 CD GLU A 27 4.490 -4.991 6.785 1.00 0.00 C ATOM 357 OE1 GLU A 27 3.245 -4.880 6.813 1.00 0.00 O ATOM 358 OE2 GLU A 27 5.179 -5.719 7.531 1.00 0.00 O ATOM 0 H GLU A 27 2.530 -5.333 3.465 1.00 0.00 H new ATOM 0 HA GLU A 27 3.057 -3.216 5.069 1.00 0.00 H new ATOM 0 HB2 GLU A 27 4.425 -5.454 4.220 1.00 0.00 H new ATOM 0 HB3 GLU A 27 5.429 -4.162 3.593 1.00 0.00 H new ATOM 0 HG2 GLU A 27 6.297 -4.415 5.758 1.00 0.00 H new ATOM 0 HG3 GLU A 27 5.162 -3.101 5.991 1.00 0.00 H new ATOM 365 N GLN A 28 4.146 -2.563 2.019 1.00 0.00 N ATOM 366 CA GLN A 28 4.496 -1.485 1.110 1.00 0.00 C ATOM 367 C GLN A 28 3.331 -0.501 0.980 1.00 0.00 C ATOM 368 O GLN A 28 3.515 0.706 1.127 1.00 0.00 O ATOM 369 CB GLN A 28 4.906 -2.032 -0.259 1.00 0.00 C ATOM 370 CG GLN A 28 6.332 -2.586 -0.223 1.00 0.00 C ATOM 371 CD GLN A 28 6.979 -2.524 -1.608 1.00 0.00 C ATOM 372 OE1 GLN A 28 6.325 -2.324 -2.619 1.00 0.00 O ATOM 373 NE2 GLN A 28 8.296 -2.706 -1.599 1.00 0.00 N ATOM 0 H GLN A 28 4.224 -3.499 1.621 1.00 0.00 H new ATOM 0 HA GLN A 28 5.353 -0.952 1.523 1.00 0.00 H new ATOM 0 HB2 GLN A 28 4.214 -2.818 -0.563 1.00 0.00 H new ATOM 0 HB3 GLN A 28 4.838 -1.241 -1.006 1.00 0.00 H new ATOM 0 HG2 GLN A 28 6.930 -2.015 0.488 1.00 0.00 H new ATOM 0 HG3 GLN A 28 6.317 -3.617 0.129 1.00 0.00 H new ATOM 0 HE21 GLN A 28 8.782 -2.869 -0.717 1.00 0.00 H new ATOM 0 HE22 GLN A 28 8.820 -2.683 -2.474 1.00 0.00 H new ATOM 382 N LYS A 29 2.159 -1.054 0.707 1.00 0.00 N ATOM 383 CA LYS A 29 0.965 -0.241 0.556 1.00 0.00 C ATOM 384 C LYS A 29 0.777 0.620 1.807 1.00 0.00 C ATOM 385 O LYS A 29 0.622 1.836 1.710 1.00 0.00 O ATOM 386 CB LYS A 29 -0.244 -1.119 0.227 1.00 0.00 C ATOM 387 CG LYS A 29 -0.125 -1.713 -1.178 1.00 0.00 C ATOM 388 CD LYS A 29 0.325 -3.174 -1.120 1.00 0.00 C ATOM 389 CE LYS A 29 -0.612 -4.069 -1.933 1.00 0.00 C ATOM 390 NZ LYS A 29 -1.276 -5.059 -1.055 1.00 0.00 N ATOM 0 H LYS A 29 2.011 -2.056 0.586 1.00 0.00 H new ATOM 0 HA LYS A 29 1.074 0.441 -0.288 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -0.325 -1.922 0.959 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -1.157 -0.528 0.300 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -1.086 -1.645 -1.688 1.00 0.00 H new ATOM 0 HG3 LYS A 29 0.588 -1.132 -1.763 1.00 0.00 H new ATOM 0 HD2 LYS A 29 1.341 -3.261 -1.505 1.00 0.00 H new ATOM 0 HD3 LYS A 29 0.347 -3.511 -0.084 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -1.363 -3.458 -2.435 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -0.048 -4.584 -2.711 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -1.946 -5.625 -1.614 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -0.560 -5.686 -0.635 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -1.789 -4.563 -0.298 1.00 0.00 H new ATOM 404 N GLU A 30 0.798 -0.046 2.952 1.00 0.00 N ATOM 405 CA GLU A 30 0.633 0.643 4.221 1.00 0.00 C ATOM 406 C GLU A 30 1.732 1.692 4.403 1.00 0.00 C ATOM 407 O GLU A 30 1.444 2.875 4.573 1.00 0.00 O ATOM 408 CB GLU A 30 0.622 -0.348 5.386 1.00 0.00 C ATOM 409 CG GLU A 30 -0.541 -1.334 5.257 1.00 0.00 C ATOM 410 CD GLU A 30 -0.776 -2.079 6.573 1.00 0.00 C ATOM 411 OE1 GLU A 30 0.063 -2.950 6.890 1.00 0.00 O ATOM 412 OE2 GLU A 30 -1.790 -1.762 7.231 1.00 0.00 O ATOM 0 H GLU A 30 0.927 -1.055 3.028 1.00 0.00 H new ATOM 0 HA GLU A 30 -0.330 1.153 4.212 1.00 0.00 H new ATOM 0 HB2 GLU A 30 1.565 -0.894 5.412 1.00 0.00 H new ATOM 0 HB3 GLU A 30 0.541 0.194 6.328 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -1.446 -0.799 4.971 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -0.330 -2.050 4.462 1.00 0.00 H new ATOM 419 N LYS A 31 2.969 1.219 4.361 1.00 0.00 N ATOM 420 CA LYS A 31 4.113 2.101 4.519 1.00 0.00 C ATOM 421 C LYS A 31 3.951 3.309 3.595 1.00 0.00 C ATOM 422 O LYS A 31 4.005 4.452 4.047 1.00 0.00 O ATOM 423 CB LYS A 31 5.417 1.331 4.303 1.00 0.00 C ATOM 424 CG LYS A 31 5.965 0.797 5.628 1.00 0.00 C ATOM 425 CD LYS A 31 5.905 -0.731 5.670 1.00 0.00 C ATOM 426 CE LYS A 31 7.203 -1.316 6.229 1.00 0.00 C ATOM 427 NZ LYS A 31 7.010 -1.767 7.626 1.00 0.00 N ATOM 0 H LYS A 31 3.204 0.237 4.220 1.00 0.00 H new ATOM 0 HA LYS A 31 4.162 2.484 5.538 1.00 0.00 H new ATOM 0 HB2 LYS A 31 5.245 0.502 3.616 1.00 0.00 H new ATOM 0 HB3 LYS A 31 6.155 1.983 3.836 1.00 0.00 H new ATOM 0 HG2 LYS A 31 6.995 1.128 5.759 1.00 0.00 H new ATOM 0 HG3 LYS A 31 5.390 1.210 6.457 1.00 0.00 H new ATOM 0 HD2 LYS A 31 5.064 -1.049 6.286 1.00 0.00 H new ATOM 0 HD3 LYS A 31 5.730 -1.119 4.667 1.00 0.00 H new ATOM 0 HE2 LYS A 31 7.526 -2.154 5.612 1.00 0.00 H new ATOM 0 HE3 LYS A 31 7.993 -0.567 6.189 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 7.937 -1.905 8.077 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 6.473 -1.048 8.152 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 6.485 -2.665 7.632 1.00 0.00 H new ATOM 441 N MET A 32 3.757 3.016 2.318 1.00 0.00 N ATOM 442 CA MET A 32 3.588 4.064 1.326 1.00 0.00 C ATOM 443 C MET A 32 2.397 4.960 1.673 1.00 0.00 C ATOM 444 O MET A 32 2.512 6.184 1.657 1.00 0.00 O ATOM 445 CB MET A 32 3.368 3.433 -0.051 1.00 0.00 C ATOM 446 CG MET A 32 4.678 2.879 -0.616 1.00 0.00 C ATOM 447 SD MET A 32 4.658 2.964 -2.398 1.00 0.00 S ATOM 448 CE MET A 32 4.152 1.296 -2.783 1.00 0.00 C ATOM 0 H MET A 32 3.713 2.067 1.947 1.00 0.00 H new ATOM 0 HA MET A 32 4.489 4.677 1.315 1.00 0.00 H new ATOM 0 HB2 MET A 32 2.633 2.632 0.025 1.00 0.00 H new ATOM 0 HB3 MET A 32 2.959 4.177 -0.735 1.00 0.00 H new ATOM 0 HG2 MET A 32 5.522 3.449 -0.226 1.00 0.00 H new ATOM 0 HG3 MET A 32 4.815 1.847 -0.294 1.00 0.00 H new ATOM 0 HE1 MET A 32 4.455 1.050 -3.801 1.00 0.00 H new ATOM 0 HE2 MET A 32 4.624 0.603 -2.086 1.00 0.00 H new ATOM 0 HE3 MET A 32 3.068 1.216 -2.697 1.00 0.00 H new ATOM 458 N LEU A 33 1.281 4.315 1.980 1.00 0.00 N ATOM 459 CA LEU A 33 0.071 5.038 2.331 1.00 0.00 C ATOM 460 C LEU A 33 0.421 6.170 3.298 1.00 0.00 C ATOM 461 O LEU A 33 -0.049 7.296 3.138 1.00 0.00 O ATOM 462 CB LEU A 33 -0.991 4.076 2.869 1.00 0.00 C ATOM 463 CG LEU A 33 -2.088 3.670 1.883 1.00 0.00 C ATOM 464 CD1 LEU A 33 -3.185 4.735 1.813 1.00 0.00 C ATOM 465 CD2 LEU A 33 -1.500 3.361 0.504 1.00 0.00 C ATOM 0 H LEU A 33 1.190 3.299 1.993 1.00 0.00 H new ATOM 0 HA LEU A 33 -0.368 5.498 1.446 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -0.491 3.173 3.218 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -1.462 4.535 3.738 1.00 0.00 H new ATOM 0 HG LEU A 33 -2.552 2.754 2.248 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -3.952 4.421 1.105 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -3.632 4.863 2.799 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -2.754 5.681 1.485 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -2.301 3.075 -0.177 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -0.994 4.246 0.118 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -0.786 2.542 0.588 1.00 0.00 H new ATOM 477 N ALA A 34 1.243 5.834 4.281 1.00 0.00 N ATOM 478 CA ALA A 34 1.662 6.808 5.274 1.00 0.00 C ATOM 479 C ALA A 34 2.808 7.649 4.706 1.00 0.00 C ATOM 480 O ALA A 34 2.710 8.873 4.637 1.00 0.00 O ATOM 481 CB ALA A 34 2.052 6.087 6.565 1.00 0.00 C ATOM 0 H ALA A 34 1.630 4.899 4.411 1.00 0.00 H new ATOM 0 HA ALA A 34 0.843 7.486 5.515 1.00 0.00 H new ATOM 0 HB1 ALA A 34 2.366 6.818 7.310 1.00 0.00 H new ATOM 0 HB2 ALA A 34 1.195 5.529 6.943 1.00 0.00 H new ATOM 0 HB3 ALA A 34 2.873 5.399 6.364 1.00 0.00 H new ATOM 487 N PHE A 35 3.868 6.957 4.314 1.00 0.00 N ATOM 488 CA PHE A 35 5.031 7.625 3.755 1.00 0.00 C ATOM 489 C PHE A 35 4.616 8.803 2.872 1.00 0.00 C ATOM 490 O PHE A 35 5.071 9.928 3.077 1.00 0.00 O ATOM 491 CB PHE A 35 5.768 6.595 2.896 1.00 0.00 C ATOM 492 CG PHE A 35 7.222 6.961 2.595 1.00 0.00 C ATOM 493 CD1 PHE A 35 8.000 7.512 3.566 1.00 0.00 C ATOM 494 CD2 PHE A 35 7.738 6.737 1.357 1.00 0.00 C ATOM 495 CE1 PHE A 35 9.350 7.852 3.287 1.00 0.00 C ATOM 496 CE2 PHE A 35 9.088 7.077 1.078 1.00 0.00 C ATOM 497 CZ PHE A 35 9.866 7.627 2.049 1.00 0.00 C ATOM 0 H PHE A 35 3.946 5.942 4.372 1.00 0.00 H new ATOM 0 HA PHE A 35 5.659 8.011 4.558 1.00 0.00 H new ATOM 0 HB2 PHE A 35 5.745 5.631 3.404 1.00 0.00 H new ATOM 0 HB3 PHE A 35 5.233 6.473 1.954 1.00 0.00 H new ATOM 0 HD1 PHE A 35 7.590 7.691 4.549 1.00 0.00 H new ATOM 0 HD2 PHE A 35 7.121 6.300 0.586 1.00 0.00 H new ATOM 0 HE1 PHE A 35 9.967 8.289 4.058 1.00 0.00 H new ATOM 0 HE2 PHE A 35 9.497 6.899 0.095 1.00 0.00 H new ATOM 0 HZ PHE A 35 10.893 7.885 1.837 1.00 0.00 H new ATOM 507 N ALA A 36 3.755 8.506 1.910 1.00 0.00 N ATOM 508 CA ALA A 36 3.273 9.528 0.996 1.00 0.00 C ATOM 509 C ALA A 36 2.548 10.616 1.790 1.00 0.00 C ATOM 510 O ALA A 36 2.779 11.805 1.573 1.00 0.00 O ATOM 511 CB ALA A 36 2.375 8.883 -0.063 1.00 0.00 C ATOM 0 H ALA A 36 3.379 7.573 1.743 1.00 0.00 H new ATOM 0 HA ALA A 36 4.106 10.000 0.475 1.00 0.00 H new ATOM 0 HB1 ALA A 36 2.013 9.649 -0.749 1.00 0.00 H new ATOM 0 HB2 ALA A 36 2.945 8.138 -0.619 1.00 0.00 H new ATOM 0 HB3 ALA A 36 1.527 8.402 0.424 1.00 0.00 H new ATOM 517 N GLU A 37 1.687 10.171 2.693 1.00 0.00 N ATOM 518 CA GLU A 37 0.928 11.093 3.521 1.00 0.00 C ATOM 519 C GLU A 37 1.869 12.068 4.231 1.00 0.00 C ATOM 520 O GLU A 37 1.467 13.173 4.590 1.00 0.00 O ATOM 521 CB GLU A 37 0.060 10.336 4.528 1.00 0.00 C ATOM 522 CG GLU A 37 -1.403 10.310 4.081 1.00 0.00 C ATOM 523 CD GLU A 37 -2.061 11.677 4.276 1.00 0.00 C ATOM 524 OE1 GLU A 37 -1.871 12.531 3.383 1.00 0.00 O ATOM 525 OE2 GLU A 37 -2.739 11.838 5.314 1.00 0.00 O ATOM 0 H GLU A 37 1.498 9.184 2.870 1.00 0.00 H new ATOM 0 HA GLU A 37 0.263 11.667 2.876 1.00 0.00 H new ATOM 0 HB2 GLU A 37 0.429 9.316 4.637 1.00 0.00 H new ATOM 0 HB3 GLU A 37 0.136 10.809 5.507 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -1.461 10.021 3.032 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -1.947 9.556 4.650 1.00 0.00 H new ATOM 532 N ARG A 38 3.104 11.623 4.411 1.00 0.00 N ATOM 533 CA ARG A 38 4.105 12.442 5.072 1.00 0.00 C ATOM 534 C ARG A 38 4.759 13.394 4.068 1.00 0.00 C ATOM 535 O ARG A 38 4.816 14.601 4.297 1.00 0.00 O ATOM 536 CB ARG A 38 5.186 11.575 5.720 1.00 0.00 C ATOM 537 CG ARG A 38 4.615 10.226 6.162 1.00 0.00 C ATOM 538 CD ARG A 38 5.378 9.676 7.368 1.00 0.00 C ATOM 539 NE ARG A 38 6.540 8.880 6.913 1.00 0.00 N ATOM 540 CZ ARG A 38 7.340 8.182 7.730 1.00 0.00 C ATOM 541 NH1 ARG A 38 7.109 8.178 9.050 1.00 0.00 N ATOM 542 NH2 ARG A 38 8.370 7.488 7.228 1.00 0.00 N ATOM 0 H ARG A 38 3.434 10.706 4.110 1.00 0.00 H new ATOM 0 HA ARG A 38 3.602 13.017 5.849 1.00 0.00 H new ATOM 0 HB2 ARG A 38 6.001 11.415 5.014 1.00 0.00 H new ATOM 0 HB3 ARG A 38 5.607 12.095 6.580 1.00 0.00 H new ATOM 0 HG2 ARG A 38 3.561 10.339 6.415 1.00 0.00 H new ATOM 0 HG3 ARG A 38 4.671 9.516 5.337 1.00 0.00 H new ATOM 0 HD2 ARG A 38 5.715 10.497 8.001 1.00 0.00 H new ATOM 0 HD3 ARG A 38 4.718 9.056 7.975 1.00 0.00 H new ATOM 0 HE ARG A 38 6.745 8.862 5.914 1.00 0.00 H new ATOM 0 HH11 ARG A 38 6.324 8.706 9.432 1.00 0.00 H new ATOM 0 HH12 ARG A 38 7.718 7.647 9.673 1.00 0.00 H new ATOM 0 HH21 ARG A 38 8.546 7.491 6.223 1.00 0.00 H new ATOM 0 HH22 ARG A 38 8.979 6.957 7.851 1.00 0.00 H new ATOM 556 N LEU A 39 5.236 12.814 2.976 1.00 0.00 N ATOM 557 CA LEU A 39 5.883 13.596 1.936 1.00 0.00 C ATOM 558 C LEU A 39 4.838 14.462 1.230 1.00 0.00 C ATOM 559 O LEU A 39 5.186 15.353 0.456 1.00 0.00 O ATOM 560 CB LEU A 39 6.667 12.684 0.990 1.00 0.00 C ATOM 561 CG LEU A 39 7.437 11.538 1.648 1.00 0.00 C ATOM 562 CD1 LEU A 39 7.151 10.209 0.946 1.00 0.00 C ATOM 563 CD2 LEU A 39 8.935 11.845 1.705 1.00 0.00 C ATOM 0 H LEU A 39 5.187 11.812 2.789 1.00 0.00 H new ATOM 0 HA LEU A 39 6.618 14.274 2.370 1.00 0.00 H new ATOM 0 HB2 LEU A 39 5.971 12.259 0.267 1.00 0.00 H new ATOM 0 HB3 LEU A 39 7.374 13.296 0.430 1.00 0.00 H new ATOM 0 HG LEU A 39 7.089 11.440 2.676 1.00 0.00 H new ATOM 0 HD11 LEU A 39 7.711 9.412 1.434 1.00 0.00 H new ATOM 0 HD12 LEU A 39 6.085 9.990 1.002 1.00 0.00 H new ATOM 0 HD13 LEU A 39 7.453 10.277 -0.099 1.00 0.00 H new ATOM 0 HD21 LEU A 39 9.459 11.014 2.177 1.00 0.00 H new ATOM 0 HD22 LEU A 39 9.316 11.986 0.694 1.00 0.00 H new ATOM 0 HD23 LEU A 39 9.098 12.754 2.285 1.00 0.00 H new ATOM 575 N GLY A 40 3.579 14.170 1.521 1.00 0.00 N ATOM 576 CA GLY A 40 2.481 14.911 0.924 1.00 0.00 C ATOM 577 C GLY A 40 2.168 14.390 -0.480 1.00 0.00 C ATOM 578 O GLY A 40 1.650 15.127 -1.318 1.00 0.00 O ATOM 0 H GLY A 40 3.295 13.430 2.163 1.00 0.00 H new ATOM 0 HA2 GLY A 40 1.595 14.826 1.553 1.00 0.00 H new ATOM 0 HA3 GLY A 40 2.736 15.970 0.875 1.00 0.00 H new ATOM 582 N TRP A 41 2.496 13.124 -0.694 1.00 0.00 N ATOM 583 CA TRP A 41 2.256 12.496 -1.982 1.00 0.00 C ATOM 584 C TRP A 41 3.158 13.175 -3.014 1.00 0.00 C ATOM 585 O TRP A 41 2.867 13.152 -4.209 1.00 0.00 O ATOM 586 CB TRP A 41 0.773 12.556 -2.353 1.00 0.00 C ATOM 587 CG TRP A 41 -0.130 11.714 -1.449 1.00 0.00 C ATOM 588 CD1 TRP A 41 -0.808 12.108 -0.363 1.00 0.00 C ATOM 589 CD2 TRP A 41 -0.427 10.309 -1.599 1.00 0.00 C ATOM 590 NE1 TRP A 41 -1.518 11.065 0.196 1.00 0.00 N ATOM 591 CE2 TRP A 41 -1.278 9.936 -0.580 1.00 0.00 C ATOM 592 CE3 TRP A 41 0.010 9.385 -2.564 1.00 0.00 C ATOM 593 CZ2 TRP A 41 -1.766 8.633 -0.427 1.00 0.00 C ATOM 594 CZ3 TRP A 41 -0.487 8.087 -2.398 1.00 0.00 C ATOM 595 CH2 TRP A 41 -1.345 7.695 -1.377 1.00 0.00 C ATOM 0 H TRP A 41 2.926 12.516 0.003 1.00 0.00 H new ATOM 0 HA TRP A 41 2.505 11.435 -1.946 1.00 0.00 H new ATOM 0 HB2 TRP A 41 0.441 13.594 -2.315 1.00 0.00 H new ATOM 0 HB3 TRP A 41 0.653 12.220 -3.383 1.00 0.00 H new ATOM 0 HD1 TRP A 41 -0.800 13.115 0.026 1.00 0.00 H new ATOM 0 HE1 TRP A 41 -2.110 11.113 1.025 1.00 0.00 H new ATOM 0 HE3 TRP A 41 0.676 9.655 -3.370 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 -2.431 8.366 0.381 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 -0.182 7.337 -3.113 1.00 0.00 H new ATOM 0 HH2 TRP A 41 -1.685 6.672 -1.317 1.00 0.00 H new ATOM 606 N ARG A 42 4.236 13.763 -2.515 1.00 0.00 N ATOM 607 CA ARG A 42 5.183 14.447 -3.379 1.00 0.00 C ATOM 608 C ARG A 42 6.605 14.291 -2.837 1.00 0.00 C ATOM 609 O ARG A 42 6.828 14.390 -1.631 1.00 0.00 O ATOM 610 CB ARG A 42 4.849 15.935 -3.494 1.00 0.00 C ATOM 611 CG ARG A 42 5.094 16.656 -2.167 1.00 0.00 C ATOM 612 CD ARG A 42 4.863 18.162 -2.309 1.00 0.00 C ATOM 613 NE ARG A 42 5.739 18.710 -3.368 1.00 0.00 N ATOM 614 CZ ARG A 42 5.414 18.749 -4.667 1.00 0.00 C ATOM 615 NH1 ARG A 42 4.230 18.273 -5.076 1.00 0.00 N ATOM 616 NH2 ARG A 42 6.272 19.265 -5.558 1.00 0.00 N ATOM 0 H ARG A 42 4.474 13.780 -1.523 1.00 0.00 H new ATOM 0 HA ARG A 42 5.116 13.994 -4.368 1.00 0.00 H new ATOM 0 HB2 ARG A 42 5.458 16.389 -4.276 1.00 0.00 H new ATOM 0 HB3 ARG A 42 3.807 16.056 -3.791 1.00 0.00 H new ATOM 0 HG2 ARG A 42 4.430 16.253 -1.402 1.00 0.00 H new ATOM 0 HG3 ARG A 42 6.115 16.471 -1.832 1.00 0.00 H new ATOM 0 HD2 ARG A 42 3.819 18.357 -2.552 1.00 0.00 H new ATOM 0 HD3 ARG A 42 5.068 18.661 -1.362 1.00 0.00 H new ATOM 0 HE ARG A 42 6.648 19.082 -3.092 1.00 0.00 H new ATOM 0 HH11 ARG A 42 3.576 17.881 -4.398 1.00 0.00 H new ATOM 0 HH12 ARG A 42 3.983 18.303 -6.065 1.00 0.00 H new ATOM 0 HH21 ARG A 42 7.173 19.628 -5.247 1.00 0.00 H new ATOM 0 HH22 ARG A 42 6.024 19.294 -6.547 1.00 0.00 H new ATOM 630 N ILE A 43 7.531 14.049 -3.753 1.00 0.00 N ATOM 631 CA ILE A 43 8.925 13.878 -3.382 1.00 0.00 C ATOM 632 C ILE A 43 9.723 15.102 -3.836 1.00 0.00 C ATOM 633 O ILE A 43 9.663 15.489 -5.002 1.00 0.00 O ATOM 634 CB ILE A 43 9.466 12.554 -3.926 1.00 0.00 C ATOM 635 CG1 ILE A 43 8.758 11.364 -3.277 1.00 0.00 C ATOM 636 CG2 ILE A 43 10.986 12.475 -3.764 1.00 0.00 C ATOM 637 CD1 ILE A 43 9.031 10.074 -4.053 1.00 0.00 C ATOM 0 H ILE A 43 7.343 13.967 -4.752 1.00 0.00 H new ATOM 0 HA ILE A 43 9.026 13.815 -2.298 1.00 0.00 H new ATOM 0 HB ILE A 43 9.253 12.511 -4.994 1.00 0.00 H new ATOM 0 HG12 ILE A 43 9.097 11.252 -2.247 1.00 0.00 H new ATOM 0 HG13 ILE A 43 7.685 11.551 -3.241 1.00 0.00 H new ATOM 0 HG21 ILE A 43 11.345 11.524 -4.158 1.00 0.00 H new ATOM 0 HG22 ILE A 43 11.453 13.294 -4.310 1.00 0.00 H new ATOM 0 HG23 ILE A 43 11.244 12.550 -2.708 1.00 0.00 H new ATOM 0 HD11 ILE A 43 8.516 9.243 -3.570 1.00 0.00 H new ATOM 0 HD12 ILE A 43 8.669 10.181 -5.075 1.00 0.00 H new ATOM 0 HD13 ILE A 43 10.103 9.878 -4.067 1.00 0.00 H new ATOM 649 N GLN A 44 10.451 15.678 -2.890 1.00 0.00 N ATOM 650 CA GLN A 44 11.260 16.850 -3.179 1.00 0.00 C ATOM 651 C GLN A 44 12.747 16.515 -3.044 1.00 0.00 C ATOM 652 O GLN A 44 13.109 15.360 -2.826 1.00 0.00 O ATOM 653 CB GLN A 44 10.876 18.018 -2.268 1.00 0.00 C ATOM 654 CG GLN A 44 9.464 18.516 -2.580 1.00 0.00 C ATOM 655 CD GLN A 44 9.476 20.000 -2.954 1.00 0.00 C ATOM 656 OE1 GLN A 44 10.049 20.411 -3.949 1.00 0.00 O ATOM 657 NE2 GLN A 44 8.814 20.778 -2.103 1.00 0.00 N ATOM 0 H GLN A 44 10.497 15.355 -1.924 1.00 0.00 H new ATOM 0 HA GLN A 44 11.069 17.156 -4.208 1.00 0.00 H new ATOM 0 HB2 GLN A 44 10.933 17.705 -1.226 1.00 0.00 H new ATOM 0 HB3 GLN A 44 11.589 18.833 -2.395 1.00 0.00 H new ATOM 0 HG2 GLN A 44 9.042 17.934 -3.400 1.00 0.00 H new ATOM 0 HG3 GLN A 44 8.820 18.361 -1.714 1.00 0.00 H new ATOM 0 HE21 GLN A 44 8.356 20.369 -1.289 1.00 0.00 H new ATOM 0 HE22 GLN A 44 8.764 21.784 -2.265 1.00 0.00 H new ATOM 666 N LYS A 45 13.567 17.546 -3.180 1.00 0.00 N ATOM 667 CA LYS A 45 15.007 17.376 -3.077 1.00 0.00 C ATOM 668 C LYS A 45 15.367 16.977 -1.645 1.00 0.00 C ATOM 669 O LYS A 45 16.365 16.294 -1.419 1.00 0.00 O ATOM 670 CB LYS A 45 15.731 18.631 -3.567 1.00 0.00 C ATOM 671 CG LYS A 45 15.971 19.610 -2.415 1.00 0.00 C ATOM 672 CD LYS A 45 16.801 20.809 -2.879 1.00 0.00 C ATOM 673 CE LYS A 45 17.196 21.693 -1.694 1.00 0.00 C ATOM 674 NZ LYS A 45 16.305 22.872 -1.608 1.00 0.00 N ATOM 0 H LYS A 45 13.262 18.503 -3.361 1.00 0.00 H new ATOM 0 HA LYS A 45 15.343 16.569 -3.727 1.00 0.00 H new ATOM 0 HB2 LYS A 45 16.684 18.353 -4.017 1.00 0.00 H new ATOM 0 HB3 LYS A 45 15.140 19.116 -4.344 1.00 0.00 H new ATOM 0 HG2 LYS A 45 15.015 19.955 -2.021 1.00 0.00 H new ATOM 0 HG3 LYS A 45 16.486 19.100 -1.601 1.00 0.00 H new ATOM 0 HD2 LYS A 45 17.697 20.459 -3.391 1.00 0.00 H new ATOM 0 HD3 LYS A 45 16.230 21.394 -3.600 1.00 0.00 H new ATOM 0 HE2 LYS A 45 17.139 21.119 -0.769 1.00 0.00 H new ATOM 0 HE3 LYS A 45 18.230 22.019 -1.804 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 16.586 23.462 -0.799 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 16.379 23.428 -2.484 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 15.322 22.556 -1.481 1.00 0.00 H new ATOM 688 N HIS A 46 14.535 17.420 -0.714 1.00 0.00 N ATOM 689 CA HIS A 46 14.753 17.117 0.690 1.00 0.00 C ATOM 690 C HIS A 46 14.323 15.677 0.978 1.00 0.00 C ATOM 691 O HIS A 46 14.895 15.016 1.844 1.00 0.00 O ATOM 692 CB HIS A 46 14.044 18.137 1.583 1.00 0.00 C ATOM 693 CG HIS A 46 12.541 17.986 1.614 1.00 0.00 C ATOM 694 ND1 HIS A 46 11.701 18.669 0.753 1.00 0.00 N ATOM 695 CD2 HIS A 46 11.739 17.223 2.411 1.00 0.00 C ATOM 696 CE1 HIS A 46 10.451 18.326 1.028 1.00 0.00 C ATOM 697 NE2 HIS A 46 10.477 17.430 2.056 1.00 0.00 N ATOM 0 H HIS A 46 13.709 17.987 -0.905 1.00 0.00 H new ATOM 0 HA HIS A 46 15.815 17.195 0.921 1.00 0.00 H new ATOM 0 HB2 HIS A 46 14.429 18.045 2.599 1.00 0.00 H new ATOM 0 HB3 HIS A 46 14.291 19.141 1.238 1.00 0.00 H new ATOM 0 HD2 HIS A 46 12.074 16.563 3.197 1.00 0.00 H new ATOM 0 HE1 HIS A 46 9.567 18.692 0.526 1.00 0.00 H new ATOM 0 HE2 HIS A 46 9.661 16.991 2.482 1.00 0.00 H new ATOM 705 N ASP A 47 13.320 15.234 0.236 1.00 0.00 N ATOM 706 CA ASP A 47 12.806 13.884 0.400 1.00 0.00 C ATOM 707 C ASP A 47 13.618 12.925 -0.473 1.00 0.00 C ATOM 708 O ASP A 47 13.050 12.108 -1.197 1.00 0.00 O ATOM 709 CB ASP A 47 11.342 13.795 -0.034 1.00 0.00 C ATOM 710 CG ASP A 47 10.451 14.937 0.458 1.00 0.00 C ATOM 711 OD1 ASP A 47 10.075 14.891 1.650 1.00 0.00 O ATOM 712 OD2 ASP A 47 10.166 15.831 -0.368 1.00 0.00 O ATOM 0 H ASP A 47 12.849 15.786 -0.481 1.00 0.00 H new ATOM 0 HA ASP A 47 12.885 13.618 1.454 1.00 0.00 H new ATOM 0 HB2 ASP A 47 11.303 13.767 -1.123 1.00 0.00 H new ATOM 0 HB3 ASP A 47 10.929 12.852 0.324 1.00 0.00 H new ATOM 717 N ASP A 48 14.933 13.055 -0.375 1.00 0.00 N ATOM 718 CA ASP A 48 15.828 12.210 -1.147 1.00 0.00 C ATOM 719 C ASP A 48 16.246 11.008 -0.297 1.00 0.00 C ATOM 720 O ASP A 48 16.008 9.862 -0.677 1.00 0.00 O ATOM 721 CB ASP A 48 17.094 12.969 -1.547 1.00 0.00 C ATOM 722 CG ASP A 48 17.324 13.095 -3.054 1.00 0.00 C ATOM 723 OD1 ASP A 48 16.526 13.816 -3.692 1.00 0.00 O ATOM 724 OD2 ASP A 48 18.292 12.467 -3.535 1.00 0.00 O ATOM 0 H ASP A 48 15.400 13.733 0.227 1.00 0.00 H new ATOM 0 HA ASP A 48 15.300 11.892 -2.046 1.00 0.00 H new ATOM 0 HB2 ASP A 48 17.051 13.969 -1.116 1.00 0.00 H new ATOM 0 HB3 ASP A 48 17.955 12.468 -1.104 1.00 0.00 H new ATOM 729 N VAL A 49 16.860 11.310 0.837 1.00 0.00 N ATOM 730 CA VAL A 49 17.314 10.268 1.743 1.00 0.00 C ATOM 731 C VAL A 49 16.105 9.485 2.258 1.00 0.00 C ATOM 732 O VAL A 49 16.074 8.258 2.175 1.00 0.00 O ATOM 733 CB VAL A 49 18.152 10.881 2.866 1.00 0.00 C ATOM 734 CG1 VAL A 49 18.739 9.793 3.768 1.00 0.00 C ATOM 735 CG2 VAL A 49 19.255 11.778 2.301 1.00 0.00 C ATOM 0 H VAL A 49 17.054 12.261 1.150 1.00 0.00 H new ATOM 0 HA VAL A 49 17.960 9.562 1.221 1.00 0.00 H new ATOM 0 HB VAL A 49 17.494 11.502 3.474 1.00 0.00 H new ATOM 0 HG11 VAL A 49 19.330 10.255 4.558 1.00 0.00 H new ATOM 0 HG12 VAL A 49 17.930 9.213 4.212 1.00 0.00 H new ATOM 0 HG13 VAL A 49 19.375 9.134 3.177 1.00 0.00 H new ATOM 0 HG21 VAL A 49 19.836 12.201 3.121 1.00 0.00 H new ATOM 0 HG22 VAL A 49 19.910 11.189 1.659 1.00 0.00 H new ATOM 0 HG23 VAL A 49 18.807 12.584 1.720 1.00 0.00 H new ATOM 745 N ALA A 50 15.138 10.227 2.780 1.00 0.00 N ATOM 746 CA ALA A 50 13.930 9.617 3.308 1.00 0.00 C ATOM 747 C ALA A 50 13.399 8.593 2.304 1.00 0.00 C ATOM 748 O ALA A 50 12.890 7.542 2.693 1.00 0.00 O ATOM 749 CB ALA A 50 12.905 10.707 3.627 1.00 0.00 C ATOM 0 H ALA A 50 15.167 11.244 2.848 1.00 0.00 H new ATOM 0 HA ALA A 50 14.142 9.087 4.237 1.00 0.00 H new ATOM 0 HB1 ALA A 50 11.999 10.249 4.023 1.00 0.00 H new ATOM 0 HB2 ALA A 50 13.320 11.391 4.368 1.00 0.00 H new ATOM 0 HB3 ALA A 50 12.665 11.258 2.718 1.00 0.00 H new ATOM 755 N VAL A 51 13.535 8.934 1.031 1.00 0.00 N ATOM 756 CA VAL A 51 13.075 8.058 -0.033 1.00 0.00 C ATOM 757 C VAL A 51 13.971 6.819 -0.091 1.00 0.00 C ATOM 758 O VAL A 51 13.482 5.701 -0.241 1.00 0.00 O ATOM 759 CB VAL A 51 13.025 8.823 -1.357 1.00 0.00 C ATOM 760 CG1 VAL A 51 13.012 7.860 -2.546 1.00 0.00 C ATOM 761 CG2 VAL A 51 11.821 9.766 -1.401 1.00 0.00 C ATOM 0 H VAL A 51 13.958 9.806 0.712 1.00 0.00 H new ATOM 0 HA VAL A 51 12.060 7.716 0.167 1.00 0.00 H new ATOM 0 HB VAL A 51 13.928 9.430 -1.427 1.00 0.00 H new ATOM 0 HG11 VAL A 51 12.976 8.429 -3.475 1.00 0.00 H new ATOM 0 HG12 VAL A 51 13.915 7.249 -2.529 1.00 0.00 H new ATOM 0 HG13 VAL A 51 12.136 7.215 -2.482 1.00 0.00 H new ATOM 0 HG21 VAL A 51 11.810 10.297 -2.353 1.00 0.00 H new ATOM 0 HG22 VAL A 51 10.902 9.188 -1.297 1.00 0.00 H new ATOM 0 HG23 VAL A 51 11.892 10.485 -0.585 1.00 0.00 H new ATOM 771 N GLU A 52 15.268 7.061 0.032 1.00 0.00 N ATOM 772 CA GLU A 52 16.238 5.979 -0.005 1.00 0.00 C ATOM 773 C GLU A 52 16.072 5.077 1.220 1.00 0.00 C ATOM 774 O GLU A 52 16.126 3.853 1.105 1.00 0.00 O ATOM 775 CB GLU A 52 17.665 6.525 -0.095 1.00 0.00 C ATOM 776 CG GLU A 52 17.930 7.142 -1.469 1.00 0.00 C ATOM 777 CD GLU A 52 19.359 6.854 -1.933 1.00 0.00 C ATOM 778 OE1 GLU A 52 19.707 5.654 -1.989 1.00 0.00 O ATOM 779 OE2 GLU A 52 20.072 7.839 -2.222 1.00 0.00 O ATOM 0 H GLU A 52 15.670 7.990 0.157 1.00 0.00 H new ATOM 0 HA GLU A 52 16.056 5.383 -0.899 1.00 0.00 H new ATOM 0 HB2 GLU A 52 17.821 7.275 0.681 1.00 0.00 H new ATOM 0 HB3 GLU A 52 18.378 5.722 0.091 1.00 0.00 H new ATOM 0 HG2 GLU A 52 17.221 6.742 -2.194 1.00 0.00 H new ATOM 0 HG3 GLU A 52 17.768 8.219 -1.425 1.00 0.00 H new ATOM 786 N GLN A 53 15.875 5.715 2.364 1.00 0.00 N ATOM 787 CA GLN A 53 15.701 4.985 3.608 1.00 0.00 C ATOM 788 C GLN A 53 14.470 4.080 3.525 1.00 0.00 C ATOM 789 O GLN A 53 14.502 2.939 3.982 1.00 0.00 O ATOM 790 CB GLN A 53 15.599 5.943 4.796 1.00 0.00 C ATOM 791 CG GLN A 53 16.894 5.949 5.610 1.00 0.00 C ATOM 792 CD GLN A 53 16.600 5.899 7.110 1.00 0.00 C ATOM 793 OE1 GLN A 53 16.245 4.872 7.665 1.00 0.00 O ATOM 794 NE2 GLN A 53 16.767 7.062 7.734 1.00 0.00 N ATOM 0 H GLN A 53 15.832 6.730 2.456 1.00 0.00 H new ATOM 0 HA GLN A 53 16.578 4.358 3.764 1.00 0.00 H new ATOM 0 HB2 GLN A 53 15.386 6.950 4.438 1.00 0.00 H new ATOM 0 HB3 GLN A 53 14.766 5.649 5.434 1.00 0.00 H new ATOM 0 HG2 GLN A 53 17.509 5.094 5.328 1.00 0.00 H new ATOM 0 HG3 GLN A 53 17.469 6.846 5.378 1.00 0.00 H new ATOM 0 HE21 GLN A 53 17.066 7.884 7.209 1.00 0.00 H new ATOM 0 HE22 GLN A 53 16.596 7.132 8.737 1.00 0.00 H new ATOM 803 N PHE A 54 13.414 4.624 2.938 1.00 0.00 N ATOM 804 CA PHE A 54 12.175 3.881 2.790 1.00 0.00 C ATOM 805 C PHE A 54 12.374 2.657 1.893 1.00 0.00 C ATOM 806 O PHE A 54 11.946 1.556 2.236 1.00 0.00 O ATOM 807 CB PHE A 54 11.164 4.822 2.131 1.00 0.00 C ATOM 808 CG PHE A 54 9.732 4.284 2.115 1.00 0.00 C ATOM 809 CD1 PHE A 54 8.994 4.282 3.257 1.00 0.00 C ATOM 810 CD2 PHE A 54 9.197 3.809 0.958 1.00 0.00 C ATOM 811 CE1 PHE A 54 7.664 3.784 3.242 1.00 0.00 C ATOM 812 CE2 PHE A 54 7.867 3.311 0.944 1.00 0.00 C ATOM 813 CZ PHE A 54 7.129 3.308 2.086 1.00 0.00 C ATOM 0 H PHE A 54 13.391 5.571 2.559 1.00 0.00 H new ATOM 0 HA PHE A 54 11.832 3.533 3.764 1.00 0.00 H new ATOM 0 HB2 PHE A 54 11.176 5.777 2.656 1.00 0.00 H new ATOM 0 HB3 PHE A 54 11.479 5.017 1.106 1.00 0.00 H new ATOM 0 HD1 PHE A 54 9.419 4.659 4.175 1.00 0.00 H new ATOM 0 HD2 PHE A 54 9.783 3.811 0.051 1.00 0.00 H new ATOM 0 HE1 PHE A 54 7.077 3.783 4.149 1.00 0.00 H new ATOM 0 HE2 PHE A 54 7.441 2.934 0.026 1.00 0.00 H new ATOM 0 HZ PHE A 54 6.118 2.928 2.075 1.00 0.00 H new ATOM 823 N CYS A 55 13.024 2.891 0.763 1.00 0.00 N ATOM 824 CA CYS A 55 13.285 1.821 -0.186 1.00 0.00 C ATOM 825 C CYS A 55 14.129 0.754 0.514 1.00 0.00 C ATOM 826 O CYS A 55 13.835 -0.436 0.419 1.00 0.00 O ATOM 827 CB CYS A 55 13.962 2.343 -1.455 1.00 0.00 C ATOM 828 SG CYS A 55 14.619 0.944 -2.434 1.00 0.00 S ATOM 0 H CYS A 55 13.378 3.806 0.483 1.00 0.00 H new ATOM 0 HA CYS A 55 12.342 1.381 -0.511 1.00 0.00 H new ATOM 0 HB2 CYS A 55 13.248 2.911 -2.051 1.00 0.00 H new ATOM 0 HB3 CYS A 55 14.771 3.025 -1.192 1.00 0.00 H new ATOM 0 HG CYS A 55 15.190 1.398 -3.510 1.00 0.00 H new ATOM 834 N ALA A 56 15.162 1.220 1.202 1.00 0.00 N ATOM 835 CA ALA A 56 16.051 0.320 1.917 1.00 0.00 C ATOM 836 C ALA A 56 15.221 -0.615 2.799 1.00 0.00 C ATOM 837 O ALA A 56 15.671 -1.705 3.150 1.00 0.00 O ATOM 838 CB ALA A 56 17.063 1.137 2.723 1.00 0.00 C ATOM 0 H ALA A 56 15.403 2.208 1.279 1.00 0.00 H new ATOM 0 HA ALA A 56 16.614 -0.299 1.219 1.00 0.00 H new ATOM 0 HB1 ALA A 56 17.730 0.463 3.260 1.00 0.00 H new ATOM 0 HB2 ALA A 56 17.646 1.763 2.047 1.00 0.00 H new ATOM 0 HB3 ALA A 56 16.535 1.769 3.437 1.00 0.00 H new ATOM 844 N GLU A 57 14.024 -0.155 3.132 1.00 0.00 N ATOM 845 CA GLU A 57 13.128 -0.937 3.967 1.00 0.00 C ATOM 846 C GLU A 57 12.149 -1.730 3.097 1.00 0.00 C ATOM 847 O GLU A 57 12.264 -2.949 2.981 1.00 0.00 O ATOM 848 CB GLU A 57 12.380 -0.042 4.957 1.00 0.00 C ATOM 849 CG GLU A 57 12.669 -0.459 6.400 1.00 0.00 C ATOM 850 CD GLU A 57 11.639 -1.477 6.894 1.00 0.00 C ATOM 851 OE1 GLU A 57 11.182 -2.277 6.049 1.00 0.00 O ATOM 852 OE2 GLU A 57 11.332 -1.431 8.105 1.00 0.00 O ATOM 0 H GLU A 57 13.654 0.749 2.839 1.00 0.00 H new ATOM 0 HA GLU A 57 13.725 -1.643 4.545 1.00 0.00 H new ATOM 0 HB2 GLU A 57 12.676 0.997 4.809 1.00 0.00 H new ATOM 0 HB3 GLU A 57 11.308 -0.099 4.766 1.00 0.00 H new ATOM 0 HG2 GLU A 57 13.669 -0.888 6.465 1.00 0.00 H new ATOM 0 HG3 GLU A 57 12.656 0.419 7.046 1.00 0.00 H new ATOM 859 N THR A 58 11.209 -1.005 2.509 1.00 0.00 N ATOM 860 CA THR A 58 10.212 -1.625 1.654 1.00 0.00 C ATOM 861 C THR A 58 10.870 -2.204 0.400 1.00 0.00 C ATOM 862 O THR A 58 10.704 -3.384 0.096 1.00 0.00 O ATOM 863 CB THR A 58 9.136 -0.581 1.349 1.00 0.00 C ATOM 864 OG1 THR A 58 9.863 0.636 1.205 1.00 0.00 O ATOM 865 CG2 THR A 58 8.213 -0.325 2.542 1.00 0.00 C ATOM 0 H THR A 58 11.117 0.006 2.608 1.00 0.00 H new ATOM 0 HA THR A 58 9.735 -2.469 2.151 1.00 0.00 H new ATOM 0 HB THR A 58 8.543 -0.910 0.496 1.00 0.00 H new ATOM 0 HG1 THR A 58 9.236 1.386 1.137 1.00 0.00 H new ATOM 0 HG21 THR A 58 7.468 0.424 2.272 1.00 0.00 H new ATOM 0 HG22 THR A 58 7.711 -1.252 2.820 1.00 0.00 H new ATOM 0 HG23 THR A 58 8.801 0.036 3.386 1.00 0.00 H new ATOM 873 N GLY A 59 11.603 -1.346 -0.294 1.00 0.00 N ATOM 874 CA GLY A 59 12.287 -1.757 -1.508 1.00 0.00 C ATOM 875 C GLY A 59 11.660 -1.102 -2.740 1.00 0.00 C ATOM 876 O GLY A 59 12.022 -1.422 -3.871 1.00 0.00 O ATOM 0 H GLY A 59 11.738 -0.368 -0.039 1.00 0.00 H new ATOM 0 HA2 GLY A 59 13.341 -1.487 -1.445 1.00 0.00 H new ATOM 0 HA3 GLY A 59 12.241 -2.842 -1.606 1.00 0.00 H new ATOM 880 N VAL A 60 10.729 -0.196 -2.479 1.00 0.00 N ATOM 881 CA VAL A 60 10.047 0.508 -3.552 1.00 0.00 C ATOM 882 C VAL A 60 11.009 1.513 -4.189 1.00 0.00 C ATOM 883 O VAL A 60 11.734 2.215 -3.486 1.00 0.00 O ATOM 884 CB VAL A 60 8.767 1.157 -3.022 1.00 0.00 C ATOM 885 CG1 VAL A 60 8.093 2.003 -4.104 1.00 0.00 C ATOM 886 CG2 VAL A 60 7.805 0.103 -2.471 1.00 0.00 C ATOM 0 H VAL A 60 10.431 0.067 -1.540 1.00 0.00 H new ATOM 0 HA VAL A 60 9.742 -0.189 -4.333 1.00 0.00 H new ATOM 0 HB VAL A 60 9.042 1.820 -2.202 1.00 0.00 H new ATOM 0 HG11 VAL A 60 7.186 2.453 -3.701 1.00 0.00 H new ATOM 0 HG12 VAL A 60 8.775 2.789 -4.429 1.00 0.00 H new ATOM 0 HG13 VAL A 60 7.838 1.370 -4.954 1.00 0.00 H new ATOM 0 HG21 VAL A 60 6.904 0.591 -2.101 1.00 0.00 H new ATOM 0 HG22 VAL A 60 7.539 -0.597 -3.263 1.00 0.00 H new ATOM 0 HG23 VAL A 60 8.286 -0.438 -1.656 1.00 0.00 H new ATOM 896 N ARG A 61 10.983 1.551 -5.513 1.00 0.00 N ATOM 897 CA ARG A 61 11.844 2.459 -6.252 1.00 0.00 C ATOM 898 C ARG A 61 11.225 3.857 -6.299 1.00 0.00 C ATOM 899 O ARG A 61 10.033 4.003 -6.567 1.00 0.00 O ATOM 900 CB ARG A 61 12.072 1.961 -7.681 1.00 0.00 C ATOM 901 CG ARG A 61 12.888 0.667 -7.687 1.00 0.00 C ATOM 902 CD ARG A 61 13.748 0.567 -8.949 1.00 0.00 C ATOM 903 NE ARG A 61 14.955 -0.246 -8.676 1.00 0.00 N ATOM 904 CZ ARG A 61 15.975 0.159 -7.907 1.00 0.00 C ATOM 905 NH1 ARG A 61 15.941 1.368 -7.331 1.00 0.00 N ATOM 906 NH2 ARG A 61 17.029 -0.645 -7.715 1.00 0.00 N ATOM 0 H ARG A 61 10.380 0.968 -6.093 1.00 0.00 H new ATOM 0 HA ARG A 61 12.803 2.500 -5.736 1.00 0.00 H new ATOM 0 HB2 ARG A 61 11.112 1.792 -8.169 1.00 0.00 H new ATOM 0 HB3 ARG A 61 12.592 2.726 -8.258 1.00 0.00 H new ATOM 0 HG2 ARG A 61 13.526 0.631 -6.804 1.00 0.00 H new ATOM 0 HG3 ARG A 61 12.217 -0.190 -7.631 1.00 0.00 H new ATOM 0 HD2 ARG A 61 13.171 0.117 -9.757 1.00 0.00 H new ATOM 0 HD3 ARG A 61 14.038 1.564 -9.281 1.00 0.00 H new ATOM 0 HE ARG A 61 15.014 -1.172 -9.100 1.00 0.00 H new ATOM 0 HH11 ARG A 61 15.139 1.980 -7.478 1.00 0.00 H new ATOM 0 HH12 ARG A 61 16.717 1.676 -6.746 1.00 0.00 H new ATOM 0 HH21 ARG A 61 17.055 -1.565 -8.154 1.00 0.00 H new ATOM 0 HH22 ARG A 61 17.806 -0.337 -7.130 1.00 0.00 H new ATOM 920 N ARG A 62 12.062 4.850 -6.035 1.00 0.00 N ATOM 921 CA ARG A 62 11.611 6.231 -6.044 1.00 0.00 C ATOM 922 C ARG A 62 10.652 6.469 -7.212 1.00 0.00 C ATOM 923 O ARG A 62 9.561 7.004 -7.025 1.00 0.00 O ATOM 924 CB ARG A 62 12.793 7.195 -6.158 1.00 0.00 C ATOM 925 CG ARG A 62 12.316 8.648 -6.180 1.00 0.00 C ATOM 926 CD ARG A 62 13.246 9.519 -7.027 1.00 0.00 C ATOM 927 NE ARG A 62 12.508 10.692 -7.546 1.00 0.00 N ATOM 928 CZ ARG A 62 13.047 11.627 -8.340 1.00 0.00 C ATOM 929 NH1 ARG A 62 14.332 11.533 -8.711 1.00 0.00 N ATOM 930 NH2 ARG A 62 12.302 12.657 -8.764 1.00 0.00 N ATOM 0 H ARG A 62 13.050 4.725 -5.814 1.00 0.00 H new ATOM 0 HA ARG A 62 11.094 6.417 -5.102 1.00 0.00 H new ATOM 0 HB2 ARG A 62 13.472 7.044 -5.319 1.00 0.00 H new ATOM 0 HB3 ARG A 62 13.356 6.980 -7.066 1.00 0.00 H new ATOM 0 HG2 ARG A 62 11.303 8.696 -6.580 1.00 0.00 H new ATOM 0 HG3 ARG A 62 12.275 9.036 -5.162 1.00 0.00 H new ATOM 0 HD2 ARG A 62 14.094 9.849 -6.428 1.00 0.00 H new ATOM 0 HD3 ARG A 62 13.648 8.936 -7.856 1.00 0.00 H new ATOM 0 HE ARG A 62 11.528 10.795 -7.283 1.00 0.00 H new ATOM 0 HH11 ARG A 62 14.900 10.749 -8.389 1.00 0.00 H new ATOM 0 HH12 ARG A 62 14.742 12.245 -9.315 1.00 0.00 H new ATOM 0 HH21 ARG A 62 11.324 12.729 -8.482 1.00 0.00 H new ATOM 0 HH22 ARG A 62 12.713 13.369 -9.368 1.00 0.00 H new ATOM 944 N GLN A 63 11.095 6.060 -8.392 1.00 0.00 N ATOM 945 CA GLN A 63 10.290 6.222 -9.590 1.00 0.00 C ATOM 946 C GLN A 63 8.938 5.524 -9.420 1.00 0.00 C ATOM 947 O GLN A 63 7.897 6.095 -9.742 1.00 0.00 O ATOM 948 CB GLN A 63 11.028 5.694 -10.822 1.00 0.00 C ATOM 949 CG GLN A 63 10.782 4.196 -11.009 1.00 0.00 C ATOM 950 CD GLN A 63 11.516 3.669 -12.244 1.00 0.00 C ATOM 951 OE1 GLN A 63 11.678 4.355 -13.240 1.00 0.00 O ATOM 952 NE2 GLN A 63 11.949 2.418 -12.123 1.00 0.00 N ATOM 0 H GLN A 63 12.001 5.617 -8.544 1.00 0.00 H new ATOM 0 HA GLN A 63 10.111 7.286 -9.742 1.00 0.00 H new ATOM 0 HB2 GLN A 63 10.696 6.234 -11.709 1.00 0.00 H new ATOM 0 HB3 GLN A 63 12.097 5.880 -10.717 1.00 0.00 H new ATOM 0 HG2 GLN A 63 11.118 3.656 -10.124 1.00 0.00 H new ATOM 0 HG3 GLN A 63 9.713 4.009 -11.110 1.00 0.00 H new ATOM 0 HE21 GLN A 63 11.779 1.901 -11.261 1.00 0.00 H new ATOM 0 HE22 GLN A 63 12.451 1.975 -12.893 1.00 0.00 H new ATOM 961 N VAL A 64 8.999 4.301 -8.916 1.00 0.00 N ATOM 962 CA VAL A 64 7.793 3.520 -8.699 1.00 0.00 C ATOM 963 C VAL A 64 6.926 4.210 -7.644 1.00 0.00 C ATOM 964 O VAL A 64 5.729 4.404 -7.850 1.00 0.00 O ATOM 965 CB VAL A 64 8.161 2.083 -8.324 1.00 0.00 C ATOM 966 CG1 VAL A 64 6.906 1.235 -8.107 1.00 0.00 C ATOM 967 CG2 VAL A 64 9.071 1.455 -9.382 1.00 0.00 C ATOM 0 H VAL A 64 9.865 3.831 -8.651 1.00 0.00 H new ATOM 0 HA VAL A 64 7.205 3.463 -9.615 1.00 0.00 H new ATOM 0 HB VAL A 64 8.712 2.113 -7.384 1.00 0.00 H new ATOM 0 HG11 VAL A 64 7.195 0.218 -7.842 1.00 0.00 H new ATOM 0 HG12 VAL A 64 6.311 1.665 -7.301 1.00 0.00 H new ATOM 0 HG13 VAL A 64 6.316 1.217 -9.023 1.00 0.00 H new ATOM 0 HG21 VAL A 64 9.317 0.434 -9.090 1.00 0.00 H new ATOM 0 HG22 VAL A 64 8.558 1.444 -10.343 1.00 0.00 H new ATOM 0 HG23 VAL A 64 9.987 2.039 -9.467 1.00 0.00 H new ATOM 977 N LEU A 65 7.564 4.563 -6.538 1.00 0.00 N ATOM 978 CA LEU A 65 6.866 5.227 -5.451 1.00 0.00 C ATOM 979 C LEU A 65 6.277 6.545 -5.959 1.00 0.00 C ATOM 980 O LEU A 65 5.073 6.773 -5.849 1.00 0.00 O ATOM 981 CB LEU A 65 7.790 5.393 -4.243 1.00 0.00 C ATOM 982 CG LEU A 65 7.393 6.476 -3.238 1.00 0.00 C ATOM 983 CD1 LEU A 65 6.112 6.092 -2.496 1.00 0.00 C ATOM 984 CD2 LEU A 65 8.544 6.780 -2.276 1.00 0.00 C ATOM 0 H LEU A 65 8.557 4.402 -6.371 1.00 0.00 H new ATOM 0 HA LEU A 65 6.032 4.616 -5.105 1.00 0.00 H new ATOM 0 HB2 LEU A 65 7.843 4.440 -3.717 1.00 0.00 H new ATOM 0 HB3 LEU A 65 8.794 5.613 -4.606 1.00 0.00 H new ATOM 0 HG LEU A 65 7.183 7.393 -3.789 1.00 0.00 H new ATOM 0 HD11 LEU A 65 5.852 6.879 -1.788 1.00 0.00 H new ATOM 0 HD12 LEU A 65 5.300 5.966 -3.213 1.00 0.00 H new ATOM 0 HD13 LEU A 65 6.269 5.157 -1.958 1.00 0.00 H new ATOM 0 HD21 LEU A 65 8.235 7.553 -1.572 1.00 0.00 H new ATOM 0 HD22 LEU A 65 8.809 5.876 -1.728 1.00 0.00 H new ATOM 0 HD23 LEU A 65 9.408 7.128 -2.841 1.00 0.00 H new ATOM 996 N LYS A 66 7.152 7.377 -6.504 1.00 0.00 N ATOM 997 CA LYS A 66 6.733 8.665 -7.029 1.00 0.00 C ATOM 998 C LYS A 66 5.512 8.471 -7.930 1.00 0.00 C ATOM 999 O LYS A 66 4.552 9.236 -7.853 1.00 0.00 O ATOM 1000 CB LYS A 66 7.903 9.368 -7.721 1.00 0.00 C ATOM 1001 CG LYS A 66 7.528 10.798 -8.115 1.00 0.00 C ATOM 1002 CD LYS A 66 8.775 11.674 -8.250 1.00 0.00 C ATOM 1003 CE LYS A 66 9.274 11.698 -9.697 1.00 0.00 C ATOM 1004 NZ LYS A 66 8.896 12.970 -10.353 1.00 0.00 N ATOM 0 H LYS A 66 8.150 7.184 -6.593 1.00 0.00 H new ATOM 0 HA LYS A 66 6.429 9.326 -6.218 1.00 0.00 H new ATOM 0 HB2 LYS A 66 8.766 9.385 -7.056 1.00 0.00 H new ATOM 0 HB3 LYS A 66 8.195 8.807 -8.609 1.00 0.00 H new ATOM 0 HG2 LYS A 66 6.982 10.788 -9.059 1.00 0.00 H new ATOM 0 HG3 LYS A 66 6.860 11.222 -7.365 1.00 0.00 H new ATOM 0 HD2 LYS A 66 8.548 12.689 -7.923 1.00 0.00 H new ATOM 0 HD3 LYS A 66 9.561 11.297 -7.596 1.00 0.00 H new ATOM 0 HE2 LYS A 66 10.357 11.579 -9.717 1.00 0.00 H new ATOM 0 HE3 LYS A 66 8.851 10.858 -10.248 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 9.242 12.971 -11.334 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 7.861 13.067 -10.351 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 9.320 13.767 -9.836 1.00 0.00 H new ATOM 1018 N ILE A 67 5.589 7.444 -8.763 1.00 0.00 N ATOM 1019 CA ILE A 67 4.502 7.140 -9.678 1.00 0.00 C ATOM 1020 C ILE A 67 3.329 6.549 -8.892 1.00 0.00 C ATOM 1021 O ILE A 67 2.170 6.771 -9.238 1.00 0.00 O ATOM 1022 CB ILE A 67 4.994 6.242 -10.816 1.00 0.00 C ATOM 1023 CG1 ILE A 67 6.104 6.929 -11.614 1.00 0.00 C ATOM 1024 CG2 ILE A 67 3.832 5.803 -11.709 1.00 0.00 C ATOM 1025 CD1 ILE A 67 7.024 5.898 -12.271 1.00 0.00 C ATOM 0 H ILE A 67 6.387 6.812 -8.824 1.00 0.00 H new ATOM 0 HA ILE A 67 4.140 8.051 -10.155 1.00 0.00 H new ATOM 0 HB ILE A 67 5.422 5.340 -10.380 1.00 0.00 H new ATOM 0 HG12 ILE A 67 5.664 7.569 -12.379 1.00 0.00 H new ATOM 0 HG13 ILE A 67 6.686 7.573 -10.955 1.00 0.00 H new ATOM 0 HG21 ILE A 67 4.209 5.166 -12.509 1.00 0.00 H new ATOM 0 HG22 ILE A 67 3.106 5.248 -11.115 1.00 0.00 H new ATOM 0 HG23 ILE A 67 3.352 6.682 -12.140 1.00 0.00 H new ATOM 0 HD11 ILE A 67 7.804 6.412 -12.832 1.00 0.00 H new ATOM 0 HD12 ILE A 67 7.481 5.275 -11.502 1.00 0.00 H new ATOM 0 HD13 ILE A 67 6.443 5.271 -12.948 1.00 0.00 H new ATOM 1037 N TRP A 68 3.672 5.808 -7.848 1.00 0.00 N ATOM 1038 CA TRP A 68 2.662 5.184 -7.010 1.00 0.00 C ATOM 1039 C TRP A 68 1.755 6.287 -6.462 1.00 0.00 C ATOM 1040 O TRP A 68 0.531 6.163 -6.497 1.00 0.00 O ATOM 1041 CB TRP A 68 3.309 4.340 -5.910 1.00 0.00 C ATOM 1042 CG TRP A 68 2.305 3.677 -4.963 1.00 0.00 C ATOM 1043 CD1 TRP A 68 1.776 2.449 -5.050 1.00 0.00 C ATOM 1044 CD2 TRP A 68 1.729 4.261 -3.776 1.00 0.00 C ATOM 1045 NE1 TRP A 68 0.904 2.200 -4.010 1.00 0.00 N ATOM 1046 CE2 TRP A 68 0.875 3.337 -3.210 1.00 0.00 C ATOM 1047 CE3 TRP A 68 1.923 5.528 -3.199 1.00 0.00 C ATOM 1048 CZ2 TRP A 68 0.147 3.581 -2.040 1.00 0.00 C ATOM 1049 CZ3 TRP A 68 1.189 5.757 -2.029 1.00 0.00 C ATOM 1050 CH2 TRP A 68 0.325 4.837 -1.447 1.00 0.00 C ATOM 0 H TRP A 68 4.635 5.626 -7.564 1.00 0.00 H new ATOM 0 HA TRP A 68 2.054 4.490 -7.590 1.00 0.00 H new ATOM 0 HB2 TRP A 68 3.922 3.567 -6.373 1.00 0.00 H new ATOM 0 HB3 TRP A 68 3.979 4.972 -5.328 1.00 0.00 H new ATOM 0 HD1 TRP A 68 2.003 1.743 -5.835 1.00 0.00 H new ATOM 0 HE1 TRP A 68 0.377 1.340 -3.856 1.00 0.00 H new ATOM 0 HE3 TRP A 68 2.586 6.267 -3.625 1.00 0.00 H new ATOM 0 HZ2 TRP A 68 -0.516 2.841 -1.617 1.00 0.00 H new ATOM 0 HZ3 TRP A 68 1.302 6.716 -1.545 1.00 0.00 H new ATOM 0 HH2 TRP A 68 -0.207 5.090 -0.542 1.00 0.00 H new ATOM 1061 N MET A 69 2.389 7.341 -5.969 1.00 0.00 N ATOM 1062 CA MET A 69 1.654 8.465 -5.415 1.00 0.00 C ATOM 1063 C MET A 69 0.694 9.056 -6.449 1.00 0.00 C ATOM 1064 O MET A 69 -0.511 9.126 -6.214 1.00 0.00 O ATOM 1065 CB MET A 69 2.638 9.543 -4.957 1.00 0.00 C ATOM 1066 CG MET A 69 3.357 9.119 -3.674 1.00 0.00 C ATOM 1067 SD MET A 69 5.094 8.867 -4.002 1.00 0.00 S ATOM 1068 CE MET A 69 5.803 9.887 -2.721 1.00 0.00 C ATOM 0 H MET A 69 3.404 7.440 -5.942 1.00 0.00 H new ATOM 0 HA MET A 69 1.070 8.110 -4.566 1.00 0.00 H new ATOM 0 HB2 MET A 69 3.369 9.731 -5.743 1.00 0.00 H new ATOM 0 HB3 MET A 69 2.105 10.479 -4.787 1.00 0.00 H new ATOM 0 HG2 MET A 69 3.230 9.883 -2.907 1.00 0.00 H new ATOM 0 HG3 MET A 69 2.915 8.201 -3.286 1.00 0.00 H new ATOM 0 HE1 MET A 69 6.823 9.561 -2.519 1.00 0.00 H new ATOM 0 HE2 MET A 69 5.812 10.927 -3.047 1.00 0.00 H new ATOM 0 HE3 MET A 69 5.207 9.797 -1.813 1.00 0.00 H new ATOM 1078 N HIS A 70 1.265 9.467 -7.572 1.00 0.00 N ATOM 1079 CA HIS A 70 0.475 10.050 -8.643 1.00 0.00 C ATOM 1080 C HIS A 70 -0.680 9.112 -8.998 1.00 0.00 C ATOM 1081 O HIS A 70 -1.701 9.551 -9.527 1.00 0.00 O ATOM 1082 CB HIS A 70 1.357 10.387 -9.847 1.00 0.00 C ATOM 1083 CG HIS A 70 0.598 10.948 -11.026 1.00 0.00 C ATOM 1084 ND1 HIS A 70 0.308 12.294 -11.158 1.00 0.00 N ATOM 1085 CD2 HIS A 70 0.076 10.331 -12.125 1.00 0.00 C ATOM 1086 CE1 HIS A 70 -0.361 12.469 -12.289 1.00 0.00 C ATOM 1087 NE2 HIS A 70 -0.504 11.251 -12.886 1.00 0.00 N ATOM 0 H HIS A 70 2.265 9.408 -7.763 1.00 0.00 H new ATOM 0 HA HIS A 70 0.042 10.993 -8.309 1.00 0.00 H new ATOM 0 HB2 HIS A 70 2.114 11.108 -9.539 1.00 0.00 H new ATOM 0 HB3 HIS A 70 1.884 9.486 -10.162 1.00 0.00 H new ATOM 0 HD2 HIS A 70 0.126 9.274 -12.339 1.00 0.00 H new ATOM 0 HE1 HIS A 70 -0.728 13.410 -12.671 1.00 0.00 H new ATOM 0 HE2 HIS A 70 -0.979 11.076 -13.772 1.00 0.00 H new ATOM 1095 N ASN A 71 -0.481 7.838 -8.693 1.00 0.00 N ATOM 1096 CA ASN A 71 -1.494 6.834 -8.973 1.00 0.00 C ATOM 1097 C ASN A 71 -2.385 6.658 -7.742 1.00 0.00 C ATOM 1098 O ASN A 71 -2.974 5.596 -7.545 1.00 0.00 O ATOM 1099 CB ASN A 71 -0.855 5.482 -9.293 1.00 0.00 C ATOM 1100 CG ASN A 71 -0.921 5.184 -10.792 1.00 0.00 C ATOM 1101 OD1 ASN A 71 -1.982 5.107 -11.389 1.00 0.00 O ATOM 1102 ND2 ASN A 71 0.269 5.022 -11.364 1.00 0.00 N ATOM 0 H ASN A 71 0.367 7.478 -8.255 1.00 0.00 H new ATOM 0 HA ASN A 71 -2.074 7.170 -9.832 1.00 0.00 H new ATOM 0 HB2 ASN A 71 0.184 5.480 -8.964 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -1.366 4.694 -8.739 1.00 0.00 H new ATOM 0 HD21 ASN A 71 0.332 4.820 -12.362 1.00 0.00 H new ATOM 0 HD22 ASN A 71 1.118 5.100 -10.805 1.00 0.00 H new ATOM 1109 N ASN A 72 -2.455 7.714 -6.945 1.00 0.00 N ATOM 1110 CA ASN A 72 -3.264 7.689 -5.739 1.00 0.00 C ATOM 1111 C ASN A 72 -3.869 9.075 -5.506 1.00 0.00 C ATOM 1112 O ASN A 72 -5.086 9.213 -5.388 1.00 0.00 O ATOM 1113 CB ASN A 72 -2.418 7.331 -4.515 1.00 0.00 C ATOM 1114 CG ASN A 72 -2.229 5.817 -4.403 1.00 0.00 C ATOM 1115 OD1 ASN A 72 -3.145 5.072 -4.096 1.00 0.00 O ATOM 1116 ND2 ASN A 72 -0.992 5.405 -4.668 1.00 0.00 N ATOM 0 H ASN A 72 -1.964 8.593 -7.111 1.00 0.00 H new ATOM 0 HA ASN A 72 -4.043 6.938 -5.872 1.00 0.00 H new ATOM 0 HB2 ASN A 72 -1.446 7.818 -4.586 1.00 0.00 H new ATOM 0 HB3 ASN A 72 -2.899 7.709 -3.613 1.00 0.00 H new ATOM 0 HD21 ASN A 72 -0.764 4.412 -4.620 1.00 0.00 H new ATOM 0 HD22 ASN A 72 -0.272 6.082 -4.919 1.00 0.00 H new ATOM 1123 N LYS A 73 -2.992 10.066 -5.448 1.00 0.00 N ATOM 1124 CA LYS A 73 -3.424 11.436 -5.232 1.00 0.00 C ATOM 1125 C LYS A 73 -4.619 11.739 -6.139 1.00 0.00 C ATOM 1126 O LYS A 73 -4.892 10.995 -7.080 1.00 0.00 O ATOM 1127 CB LYS A 73 -2.253 12.403 -5.415 1.00 0.00 C ATOM 1128 CG LYS A 73 -1.902 12.565 -6.896 1.00 0.00 C ATOM 1129 CD LYS A 73 -0.585 13.324 -7.067 1.00 0.00 C ATOM 1130 CE LYS A 73 -0.827 14.833 -7.141 1.00 0.00 C ATOM 1131 NZ LYS A 73 0.077 15.455 -8.135 1.00 0.00 N ATOM 0 H LYS A 73 -1.984 9.947 -5.547 1.00 0.00 H new ATOM 0 HA LYS A 73 -3.761 11.571 -4.204 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -2.508 13.374 -4.990 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -1.384 12.035 -4.870 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -1.824 11.584 -7.364 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -2.703 13.099 -7.407 1.00 0.00 H new ATOM 0 HD2 LYS A 73 0.079 13.099 -6.233 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -0.083 12.988 -7.974 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -1.865 15.028 -7.412 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -0.664 15.282 -6.161 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -0.100 16.479 -8.173 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 1.065 15.285 -7.860 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -0.098 15.039 -9.072 1.00 0.00 H new