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 USER MOD Single : A 28 GLN : amide:sc= -5.13! C(o=-5.1!,f=-6!) USER MOD Single : A 29 LYS NZ :NH3+ -158:sc= 0 (180deg=-0.256) USER MOD Single : A 31 LYS NZ :NH3+ -158:sc= 0 (180deg=-0.218) USER MOD Single : A 32 MET CE :methyl -153:sc= -0.143 (180deg=-1.25) USER MOD Single : A 44 GLN : amide:sc= -0.0227 X(o=-0.023,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= -6.69! C(o=-6.7!,f=-8.6!) USER MOD Single : A 53 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 55 CYS SG : rot 180:sc= -0.117 USER MOD Single : A 58 THR OG1 : rot -171:sc= 0.254 USER MOD Single : A 63 GLN : amide:sc= 0 K(o=0,f=-0.64) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 MET CE :methyl -160:sc= -3.87! (180deg=-4.51!) USER MOD Single : A 70 HIS : no HD1:sc= -0.0454 X(o=-0.045,f=-0.14) USER MOD Single : A 71 ASN : amide:sc= -0.4 X(o=-0.4,f=-0.086) USER MOD Single : A 72 ASN : amide:sc= -0.296! K(o=-0.3!,f=-0.93) USER MOD Single : A 73 LYS NZ :NH3+ -106:sc= 0.554 (180deg=-0.192) USER MOD ----------------------------------------------------------------- ATOM 326 N THR A 25 3.691 -5.815 -1.473 1.00 0.00 N ATOM 327 CA THR A 25 3.064 -6.404 -0.302 1.00 0.00 C ATOM 328 C THR A 25 2.282 -5.343 0.474 1.00 0.00 C ATOM 329 O THR A 25 2.647 -4.168 0.466 1.00 0.00 O ATOM 330 CB THR A 25 4.155 -7.083 0.527 1.00 0.00 C ATOM 331 OG1 THR A 25 3.452 -7.651 1.628 1.00 0.00 O ATOM 332 CG2 THR A 25 5.110 -6.078 1.174 1.00 0.00 C ATOM 0 HA THR A 25 2.332 -7.161 -0.583 1.00 0.00 H new ATOM 0 HB THR A 25 4.721 -7.765 -0.108 1.00 0.00 H new ATOM 0 HG1 THR A 25 4.085 -8.113 2.217 1.00 0.00 H new ATOM 0 HG21 THR A 25 5.865 -6.613 1.751 1.00 0.00 H new ATOM 0 HG22 THR A 25 5.597 -5.487 0.398 1.00 0.00 H new ATOM 0 HG23 THR A 25 4.549 -5.417 1.835 1.00 0.00 H new ATOM 340 N ALA A 26 1.221 -5.794 1.127 1.00 0.00 N ATOM 341 CA ALA A 26 0.385 -4.898 1.907 1.00 0.00 C ATOM 342 C ALA A 26 1.271 -3.886 2.637 1.00 0.00 C ATOM 343 O ALA A 26 1.105 -2.679 2.473 1.00 0.00 O ATOM 344 CB ALA A 26 -0.480 -5.715 2.869 1.00 0.00 C ATOM 0 H ALA A 26 0.921 -6.769 1.132 1.00 0.00 H new ATOM 0 HA ALA A 26 -0.288 -4.339 1.257 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -1.107 -5.043 3.454 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -1.111 -6.398 2.300 1.00 0.00 H new ATOM 0 HB3 ALA A 26 0.162 -6.287 3.539 1.00 0.00 H new ATOM 350 N GLU A 27 2.193 -4.417 3.427 1.00 0.00 N ATOM 351 CA GLU A 27 3.106 -3.575 4.182 1.00 0.00 C ATOM 352 C GLU A 27 3.521 -2.361 3.348 1.00 0.00 C ATOM 353 O GLU A 27 3.332 -1.221 3.768 1.00 0.00 O ATOM 354 CB GLU A 27 4.330 -4.369 4.643 1.00 0.00 C ATOM 355 CG GLU A 27 4.545 -4.218 6.150 1.00 0.00 C ATOM 356 CD GLU A 27 5.252 -5.446 6.728 1.00 0.00 C ATOM 357 OE1 GLU A 27 6.502 -5.429 6.737 1.00 0.00 O ATOM 358 OE2 GLU A 27 4.527 -6.373 7.148 1.00 0.00 O ATOM 0 H GLU A 27 2.327 -5.419 3.561 1.00 0.00 H new ATOM 0 HA GLU A 27 2.589 -3.219 5.073 1.00 0.00 H new ATOM 0 HB2 GLU A 27 4.200 -5.422 4.394 1.00 0.00 H new ATOM 0 HB3 GLU A 27 5.215 -4.023 4.109 1.00 0.00 H new ATOM 0 HG2 GLU A 27 5.138 -3.325 6.349 1.00 0.00 H new ATOM 0 HG3 GLU A 27 3.584 -4.080 6.646 1.00 0.00 H new ATOM 365 N GLN A 28 4.080 -2.648 2.181 1.00 0.00 N ATOM 366 CA GLN A 28 4.524 -1.595 1.285 1.00 0.00 C ATOM 367 C GLN A 28 3.418 -0.553 1.101 1.00 0.00 C ATOM 368 O GLN A 28 3.621 0.628 1.377 1.00 0.00 O ATOM 369 CB GLN A 28 4.965 -2.170 -0.062 1.00 0.00 C ATOM 370 CG GLN A 28 6.442 -1.874 -0.328 1.00 0.00 C ATOM 371 CD GLN A 28 6.901 -2.511 -1.642 1.00 0.00 C ATOM 372 OE1 GLN A 28 6.260 -2.399 -2.673 1.00 0.00 O ATOM 373 NE2 GLN A 28 8.045 -3.183 -1.546 1.00 0.00 N ATOM 0 H GLN A 28 4.235 -3.595 1.836 1.00 0.00 H new ATOM 0 HA GLN A 28 5.388 -1.104 1.733 1.00 0.00 H new ATOM 0 HB2 GLN A 28 4.799 -3.247 -0.073 1.00 0.00 H new ATOM 0 HB3 GLN A 28 4.356 -1.745 -0.860 1.00 0.00 H new ATOM 0 HG2 GLN A 28 6.599 -0.796 -0.368 1.00 0.00 H new ATOM 0 HG3 GLN A 28 7.047 -2.254 0.495 1.00 0.00 H new ATOM 0 HE21 GLN A 28 8.531 -3.237 -0.651 1.00 0.00 H new ATOM 0 HE22 GLN A 28 8.436 -3.644 -2.368 1.00 0.00 H new ATOM 382 N LYS A 29 2.273 -1.030 0.635 1.00 0.00 N ATOM 383 CA LYS A 29 1.135 -0.155 0.410 1.00 0.00 C ATOM 384 C LYS A 29 0.892 0.691 1.662 1.00 0.00 C ATOM 385 O LYS A 29 0.798 1.914 1.580 1.00 0.00 O ATOM 386 CB LYS A 29 -0.086 -0.966 -0.030 1.00 0.00 C ATOM 387 CG LYS A 29 0.159 -1.632 -1.386 1.00 0.00 C ATOM 388 CD LYS A 29 0.466 -3.121 -1.217 1.00 0.00 C ATOM 389 CE LYS A 29 -0.726 -3.979 -1.647 1.00 0.00 C ATOM 390 NZ LYS A 29 -0.307 -5.383 -1.851 1.00 0.00 N ATOM 0 H LYS A 29 2.109 -2.011 0.407 1.00 0.00 H new ATOM 0 HA LYS A 29 1.342 0.536 -0.407 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -0.311 -1.727 0.718 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -0.957 -0.314 -0.093 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -0.719 -1.508 -2.020 1.00 0.00 H new ATOM 0 HG3 LYS A 29 0.990 -1.141 -1.892 1.00 0.00 H new ATOM 0 HD2 LYS A 29 1.341 -3.385 -1.810 1.00 0.00 H new ATOM 0 HD3 LYS A 29 0.712 -3.329 -0.176 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -1.507 -3.933 -0.888 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -1.153 -3.583 -2.568 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -0.987 -5.861 -2.477 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 0.638 -5.404 -2.285 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -0.277 -5.873 -0.934 1.00 0.00 H new ATOM 404 N GLU A 30 0.798 0.005 2.792 1.00 0.00 N ATOM 405 CA GLU A 30 0.568 0.677 4.059 1.00 0.00 C ATOM 406 C GLU A 30 1.665 1.713 4.317 1.00 0.00 C ATOM 407 O GLU A 30 1.375 2.886 4.544 1.00 0.00 O ATOM 408 CB GLU A 30 0.485 -0.330 5.207 1.00 0.00 C ATOM 409 CG GLU A 30 -0.672 -1.309 4.995 1.00 0.00 C ATOM 410 CD GLU A 30 -1.161 -1.877 6.329 1.00 0.00 C ATOM 411 OE1 GLU A 30 -1.306 -1.068 7.271 1.00 0.00 O ATOM 412 OE2 GLU A 30 -1.379 -3.107 6.376 1.00 0.00 O ATOM 0 H GLU A 30 0.877 -1.010 2.856 1.00 0.00 H new ATOM 0 HA GLU A 30 -0.389 1.195 4.004 1.00 0.00 H new ATOM 0 HB2 GLU A 30 1.423 -0.880 5.281 1.00 0.00 H new ATOM 0 HB3 GLU A 30 0.350 0.199 6.150 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -1.493 -0.802 4.488 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -0.350 -2.123 4.345 1.00 0.00 H new ATOM 419 N LYS A 31 2.902 1.241 4.273 1.00 0.00 N ATOM 420 CA LYS A 31 4.044 2.111 4.499 1.00 0.00 C ATOM 421 C LYS A 31 3.932 3.338 3.592 1.00 0.00 C ATOM 422 O LYS A 31 4.029 4.471 4.060 1.00 0.00 O ATOM 423 CB LYS A 31 5.351 1.335 4.327 1.00 0.00 C ATOM 424 CG LYS A 31 5.797 0.710 5.650 1.00 0.00 C ATOM 425 CD LYS A 31 5.827 -0.817 5.552 1.00 0.00 C ATOM 426 CE LYS A 31 7.264 -1.341 5.600 1.00 0.00 C ATOM 427 NZ LYS A 31 7.551 -1.946 6.919 1.00 0.00 N ATOM 0 H LYS A 31 3.139 0.267 4.084 1.00 0.00 H new ATOM 0 HA LYS A 31 4.049 2.474 5.527 1.00 0.00 H new ATOM 0 HB2 LYS A 31 5.218 0.554 3.578 1.00 0.00 H new ATOM 0 HB3 LYS A 31 6.128 2.003 3.956 1.00 0.00 H new ATOM 0 HG2 LYS A 31 6.787 1.081 5.916 1.00 0.00 H new ATOM 0 HG3 LYS A 31 5.118 1.014 6.447 1.00 0.00 H new ATOM 0 HD2 LYS A 31 5.251 -1.249 6.370 1.00 0.00 H new ATOM 0 HD3 LYS A 31 5.351 -1.135 4.624 1.00 0.00 H new ATOM 0 HE2 LYS A 31 7.414 -2.081 4.814 1.00 0.00 H new ATOM 0 HE3 LYS A 31 7.961 -0.526 5.408 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 8.578 -1.955 7.081 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 7.088 -1.388 7.665 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 7.188 -2.921 6.940 1.00 0.00 H new ATOM 441 N MET A 32 3.729 3.070 2.310 1.00 0.00 N ATOM 442 CA MET A 32 3.602 4.138 1.334 1.00 0.00 C ATOM 443 C MET A 32 2.421 5.050 1.668 1.00 0.00 C ATOM 444 O MET A 32 2.559 6.272 1.680 1.00 0.00 O ATOM 445 CB MET A 32 3.404 3.535 -0.059 1.00 0.00 C ATOM 446 CG MET A 32 4.694 2.883 -0.562 1.00 0.00 C ATOM 447 SD MET A 32 4.725 2.891 -2.347 1.00 0.00 S ATOM 448 CE MET A 32 4.285 1.192 -2.673 1.00 0.00 C ATOM 0 H MET A 32 3.649 2.129 1.925 1.00 0.00 H new ATOM 0 HA MET A 32 4.514 4.735 1.356 1.00 0.00 H new ATOM 0 HB2 MET A 32 2.605 2.794 -0.028 1.00 0.00 H new ATOM 0 HB3 MET A 32 3.090 4.313 -0.755 1.00 0.00 H new ATOM 0 HG2 MET A 32 5.559 3.420 -0.172 1.00 0.00 H new ATOM 0 HG3 MET A 32 4.762 1.860 -0.193 1.00 0.00 H new ATOM 0 HE1 MET A 32 4.703 0.886 -3.632 1.00 0.00 H new ATOM 0 HE2 MET A 32 4.684 0.555 -1.883 1.00 0.00 H new ATOM 0 HE3 MET A 32 3.200 1.097 -2.703 1.00 0.00 H new ATOM 458 N LEU A 33 1.285 4.421 1.931 1.00 0.00 N ATOM 459 CA LEU A 33 0.079 5.161 2.265 1.00 0.00 C ATOM 460 C LEU A 33 0.426 6.270 3.261 1.00 0.00 C ATOM 461 O LEU A 33 0.003 7.412 3.095 1.00 0.00 O ATOM 462 CB LEU A 33 -1.013 4.210 2.759 1.00 0.00 C ATOM 463 CG LEU A 33 -2.090 3.838 1.738 1.00 0.00 C ATOM 464 CD1 LEU A 33 -3.149 4.937 1.632 1.00 0.00 C ATOM 465 CD2 LEU A 33 -1.467 3.508 0.380 1.00 0.00 C ATOM 0 H LEU A 33 1.174 3.407 1.920 1.00 0.00 H new ATOM 0 HA LEU A 33 -0.329 5.645 1.378 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -0.538 3.293 3.107 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -1.500 4.664 3.622 1.00 0.00 H new ATOM 0 HG LEU A 33 -2.596 2.938 2.087 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -3.902 4.647 0.900 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -3.623 5.080 2.603 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -2.677 5.868 1.318 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -2.254 3.247 -0.328 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -0.920 4.375 0.010 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -0.783 2.666 0.488 1.00 0.00 H new ATOM 477 N ALA A 34 1.193 5.893 4.274 1.00 0.00 N ATOM 478 CA ALA A 34 1.601 6.842 5.296 1.00 0.00 C ATOM 479 C ALA A 34 2.757 7.692 4.764 1.00 0.00 C ATOM 480 O ALA A 34 2.659 8.917 4.714 1.00 0.00 O ATOM 481 CB ALA A 34 1.973 6.087 6.574 1.00 0.00 C ATOM 0 H ALA A 34 1.542 4.944 4.409 1.00 0.00 H new ATOM 0 HA ALA A 34 0.781 7.517 5.542 1.00 0.00 H new ATOM 0 HB1 ALA A 34 2.279 6.799 7.341 1.00 0.00 H new ATOM 0 HB2 ALA A 34 1.110 5.522 6.927 1.00 0.00 H new ATOM 0 HB3 ALA A 34 2.795 5.402 6.366 1.00 0.00 H new ATOM 487 N PHE A 35 3.825 7.008 4.381 1.00 0.00 N ATOM 488 CA PHE A 35 4.998 7.685 3.855 1.00 0.00 C ATOM 489 C PHE A 35 4.598 8.877 2.983 1.00 0.00 C ATOM 490 O PHE A 35 5.073 9.992 3.194 1.00 0.00 O ATOM 491 CB PHE A 35 5.753 6.669 2.995 1.00 0.00 C ATOM 492 CG PHE A 35 7.154 7.123 2.581 1.00 0.00 C ATOM 493 CD1 PHE A 35 7.923 7.834 3.449 1.00 0.00 C ATOM 494 CD2 PHE A 35 7.631 6.816 1.345 1.00 0.00 C ATOM 495 CE1 PHE A 35 9.223 8.255 3.065 1.00 0.00 C ATOM 496 CE2 PHE A 35 8.931 7.237 0.961 1.00 0.00 C ATOM 497 CZ PHE A 35 9.700 7.948 1.829 1.00 0.00 C ATOM 0 H PHE A 35 3.903 5.992 4.424 1.00 0.00 H new ATOM 0 HA PHE A 35 5.611 8.059 4.675 1.00 0.00 H new ATOM 0 HB2 PHE A 35 5.834 5.732 3.545 1.00 0.00 H new ATOM 0 HB3 PHE A 35 5.169 6.463 2.098 1.00 0.00 H new ATOM 0 HD1 PHE A 35 7.544 8.078 4.431 1.00 0.00 H new ATOM 0 HD2 PHE A 35 7.021 6.252 0.656 1.00 0.00 H new ATOM 0 HE1 PHE A 35 9.833 8.819 3.754 1.00 0.00 H new ATOM 0 HE2 PHE A 35 9.310 6.993 -0.021 1.00 0.00 H new ATOM 0 HZ PHE A 35 10.689 8.269 1.537 1.00 0.00 H new ATOM 507 N ALA A 36 3.729 8.601 2.022 1.00 0.00 N ATOM 508 CA ALA A 36 3.260 9.637 1.117 1.00 0.00 C ATOM 509 C ALA A 36 2.561 10.733 1.923 1.00 0.00 C ATOM 510 O ALA A 36 2.883 11.912 1.783 1.00 0.00 O ATOM 511 CB ALA A 36 2.344 9.015 0.061 1.00 0.00 C ATOM 0 H ALA A 36 3.337 7.675 1.850 1.00 0.00 H new ATOM 0 HA ALA A 36 4.097 10.097 0.592 1.00 0.00 H new ATOM 0 HB1 ALA A 36 1.992 9.791 -0.618 1.00 0.00 H new ATOM 0 HB2 ALA A 36 2.897 8.263 -0.503 1.00 0.00 H new ATOM 0 HB3 ALA A 36 1.490 8.547 0.550 1.00 0.00 H new ATOM 517 N GLU A 37 1.617 10.306 2.749 1.00 0.00 N ATOM 518 CA GLU A 37 0.870 11.237 3.577 1.00 0.00 C ATOM 519 C GLU A 37 1.824 12.201 4.286 1.00 0.00 C ATOM 520 O GLU A 37 1.468 13.346 4.556 1.00 0.00 O ATOM 521 CB GLU A 37 -0.007 10.493 4.586 1.00 0.00 C ATOM 522 CG GLU A 37 -1.472 10.496 4.146 1.00 0.00 C ATOM 523 CD GLU A 37 -2.094 11.883 4.323 1.00 0.00 C ATOM 524 OE1 GLU A 37 -1.548 12.831 3.719 1.00 0.00 O ATOM 525 OE2 GLU A 37 -3.102 11.963 5.058 1.00 0.00 O ATOM 0 H GLU A 37 1.352 9.327 2.862 1.00 0.00 H new ATOM 0 HA GLU A 37 0.211 11.818 2.931 1.00 0.00 H new ATOM 0 HB2 GLU A 37 0.343 9.466 4.690 1.00 0.00 H new ATOM 0 HB3 GLU A 37 0.083 10.961 5.566 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -1.543 10.192 3.102 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -2.032 9.765 4.729 1.00 0.00 H new ATOM 532 N ARG A 38 3.018 11.700 4.568 1.00 0.00 N ATOM 533 CA ARG A 38 4.026 12.501 5.240 1.00 0.00 C ATOM 534 C ARG A 38 4.658 13.492 4.260 1.00 0.00 C ATOM 535 O ARG A 38 4.703 14.692 4.527 1.00 0.00 O ATOM 536 CB ARG A 38 5.123 11.618 5.840 1.00 0.00 C ATOM 537 CG ARG A 38 4.562 10.260 6.264 1.00 0.00 C ATOM 538 CD ARG A 38 5.338 9.694 7.456 1.00 0.00 C ATOM 539 NE ARG A 38 6.545 8.982 6.981 1.00 0.00 N ATOM 540 CZ ARG A 38 7.426 8.376 7.789 1.00 0.00 C ATOM 541 NH1 ARG A 38 7.239 8.393 9.116 1.00 0.00 N ATOM 542 NH2 ARG A 38 8.493 7.754 7.270 1.00 0.00 N ATOM 0 H ARG A 38 3.310 10.749 4.343 1.00 0.00 H new ATOM 0 HA ARG A 38 3.533 13.045 6.045 1.00 0.00 H new ATOM 0 HB2 ARG A 38 5.919 11.475 5.110 1.00 0.00 H new ATOM 0 HB3 ARG A 38 5.566 12.117 6.701 1.00 0.00 H new ATOM 0 HG2 ARG A 38 3.509 10.363 6.527 1.00 0.00 H new ATOM 0 HG3 ARG A 38 4.615 9.563 5.427 1.00 0.00 H new ATOM 0 HD2 ARG A 38 5.624 10.501 8.131 1.00 0.00 H new ATOM 0 HD3 ARG A 38 4.704 9.013 8.023 1.00 0.00 H new ATOM 0 HE ARG A 38 6.717 8.950 5.976 1.00 0.00 H new ATOM 0 HH11 ARG A 38 6.427 8.867 9.511 1.00 0.00 H new ATOM 0 HH12 ARG A 38 7.909 7.932 9.731 1.00 0.00 H new ATOM 0 HH21 ARG A 38 8.635 7.742 6.260 1.00 0.00 H new ATOM 0 HH22 ARG A 38 9.164 7.293 7.885 1.00 0.00 H new ATOM 556 N LEU A 39 5.130 12.953 3.146 1.00 0.00 N ATOM 557 CA LEU A 39 5.757 13.775 2.124 1.00 0.00 C ATOM 558 C LEU A 39 4.691 14.635 1.443 1.00 0.00 C ATOM 559 O LEU A 39 5.015 15.531 0.664 1.00 0.00 O ATOM 560 CB LEU A 39 6.558 12.905 1.154 1.00 0.00 C ATOM 561 CG LEU A 39 7.346 11.752 1.780 1.00 0.00 C ATOM 562 CD1 LEU A 39 7.106 10.447 1.019 1.00 0.00 C ATOM 563 CD2 LEU A 39 8.834 12.095 1.876 1.00 0.00 C ATOM 0 H LEU A 39 5.091 11.957 2.928 1.00 0.00 H new ATOM 0 HA LEU A 39 6.478 14.458 2.573 1.00 0.00 H new ATOM 0 HB2 LEU A 39 5.871 12.491 0.416 1.00 0.00 H new ATOM 0 HB3 LEU A 39 7.256 13.545 0.615 1.00 0.00 H new ATOM 0 HG LEU A 39 6.984 11.602 2.797 1.00 0.00 H new ATOM 0 HD11 LEU A 39 7.678 9.644 1.484 1.00 0.00 H new ATOM 0 HD12 LEU A 39 6.045 10.200 1.046 1.00 0.00 H new ATOM 0 HD13 LEU A 39 7.425 10.566 -0.017 1.00 0.00 H new ATOM 0 HD21 LEU A 39 9.372 11.260 2.324 1.00 0.00 H new ATOM 0 HD22 LEU A 39 9.228 12.287 0.878 1.00 0.00 H new ATOM 0 HD23 LEU A 39 8.963 12.983 2.494 1.00 0.00 H new ATOM 575 N GLY A 40 3.440 14.333 1.760 1.00 0.00 N ATOM 576 CA GLY A 40 2.325 15.067 1.188 1.00 0.00 C ATOM 577 C GLY A 40 2.014 14.578 -0.228 1.00 0.00 C ATOM 578 O GLY A 40 1.481 15.327 -1.045 1.00 0.00 O ATOM 0 H GLY A 40 3.175 13.590 2.406 1.00 0.00 H new ATOM 0 HA2 GLY A 40 1.444 14.947 1.819 1.00 0.00 H new ATOM 0 HA3 GLY A 40 2.559 16.131 1.166 1.00 0.00 H new ATOM 582 N TRP A 41 2.362 13.323 -0.476 1.00 0.00 N ATOM 583 CA TRP A 41 2.127 12.725 -1.779 1.00 0.00 C ATOM 584 C TRP A 41 3.019 13.441 -2.795 1.00 0.00 C ATOM 585 O TRP A 41 2.671 13.538 -3.971 1.00 0.00 O ATOM 586 CB TRP A 41 0.643 12.775 -2.146 1.00 0.00 C ATOM 587 CG TRP A 41 -0.249 11.911 -1.252 1.00 0.00 C ATOM 588 CD1 TRP A 41 -0.996 12.299 -0.210 1.00 0.00 C ATOM 589 CD2 TRP A 41 -0.457 10.487 -1.365 1.00 0.00 C ATOM 590 NE1 TRP A 41 -1.668 11.234 0.355 1.00 0.00 N ATOM 591 CE2 TRP A 41 -1.330 10.097 -0.370 1.00 0.00 C ATOM 592 CE3 TRP A 41 0.075 9.559 -2.278 1.00 0.00 C ATOM 593 CZ2 TRP A 41 -1.748 8.773 -0.192 1.00 0.00 C ATOM 594 CZ3 TRP A 41 -0.353 8.240 -2.087 1.00 0.00 C ATOM 595 CH2 TRP A 41 -1.232 7.831 -1.090 1.00 0.00 C ATOM 0 H TRP A 41 2.805 12.705 0.204 1.00 0.00 H new ATOM 0 HA TRP A 41 2.388 11.667 -1.771 1.00 0.00 H new ATOM 0 HB2 TRP A 41 0.301 13.809 -2.093 1.00 0.00 H new ATOM 0 HB3 TRP A 41 0.524 12.453 -3.180 1.00 0.00 H new ATOM 0 HD1 TRP A 41 -1.064 13.317 0.144 1.00 0.00 H new ATOM 0 HE1 TRP A 41 -2.297 11.274 1.157 1.00 0.00 H new ATOM 0 HE3 TRP A 41 0.759 9.842 -3.064 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 -2.432 8.493 0.596 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 0.026 7.487 -2.762 1.00 0.00 H new ATOM 0 HH2 TRP A 41 -1.515 6.792 -1.009 1.00 0.00 H new ATOM 606 N ARG A 42 4.152 13.923 -2.305 1.00 0.00 N ATOM 607 CA ARG A 42 5.096 14.627 -3.156 1.00 0.00 C ATOM 608 C ARG A 42 6.530 14.349 -2.701 1.00 0.00 C ATOM 609 O ARG A 42 6.792 14.224 -1.506 1.00 0.00 O ATOM 610 CB ARG A 42 4.842 16.136 -3.130 1.00 0.00 C ATOM 611 CG ARG A 42 5.037 16.700 -1.721 1.00 0.00 C ATOM 612 CD ARG A 42 5.285 18.209 -1.764 1.00 0.00 C ATOM 613 NE ARG A 42 5.370 18.747 -0.388 1.00 0.00 N ATOM 614 CZ ARG A 42 4.316 18.901 0.425 1.00 0.00 C ATOM 615 NH1 ARG A 42 3.091 18.558 0.006 1.00 0.00 N ATOM 616 NH2 ARG A 42 4.488 19.397 1.658 1.00 0.00 N ATOM 0 H ARG A 42 4.437 13.840 -1.329 1.00 0.00 H new ATOM 0 HA ARG A 42 4.958 14.265 -4.175 1.00 0.00 H new ATOM 0 HB2 ARG A 42 5.520 16.635 -3.822 1.00 0.00 H new ATOM 0 HB3 ARG A 42 3.828 16.344 -3.472 1.00 0.00 H new ATOM 0 HG2 ARG A 42 4.155 16.490 -1.116 1.00 0.00 H new ATOM 0 HG3 ARG A 42 5.879 16.203 -1.240 1.00 0.00 H new ATOM 0 HD2 ARG A 42 6.209 18.419 -2.303 1.00 0.00 H new ATOM 0 HD3 ARG A 42 4.480 18.703 -2.307 1.00 0.00 H new ATOM 0 HE ARG A 42 6.288 19.018 -0.036 1.00 0.00 H new ATOM 0 HH11 ARG A 42 2.960 18.179 -0.932 1.00 0.00 H new ATOM 0 HH12 ARG A 42 2.289 18.675 0.625 1.00 0.00 H new ATOM 0 HH21 ARG A 42 5.421 19.657 1.977 1.00 0.00 H new ATOM 0 HH22 ARG A 42 3.686 19.514 2.277 1.00 0.00 H new ATOM 630 N ILE A 43 7.420 14.261 -3.678 1.00 0.00 N ATOM 631 CA ILE A 43 8.821 14.001 -3.393 1.00 0.00 C ATOM 632 C ILE A 43 9.668 15.161 -3.919 1.00 0.00 C ATOM 633 O ILE A 43 9.652 15.455 -5.113 1.00 0.00 O ATOM 634 CB ILE A 43 9.236 12.637 -3.947 1.00 0.00 C ATOM 635 CG1 ILE A 43 8.550 11.503 -3.183 1.00 0.00 C ATOM 636 CG2 ILE A 43 10.758 12.486 -3.951 1.00 0.00 C ATOM 637 CD1 ILE A 43 8.747 10.163 -3.895 1.00 0.00 C ATOM 0 H ILE A 43 7.198 14.365 -4.668 1.00 0.00 H new ATOM 0 HA ILE A 43 8.987 13.947 -2.317 1.00 0.00 H new ATOM 0 HB ILE A 43 8.904 12.575 -4.983 1.00 0.00 H new ATOM 0 HG12 ILE A 43 8.954 11.444 -2.172 1.00 0.00 H new ATOM 0 HG13 ILE A 43 7.485 11.716 -3.089 1.00 0.00 H new ATOM 0 HG21 ILE A 43 11.025 11.507 -4.350 1.00 0.00 H new ATOM 0 HG22 ILE A 43 11.199 13.264 -4.574 1.00 0.00 H new ATOM 0 HG23 ILE A 43 11.135 12.578 -2.933 1.00 0.00 H new ATOM 0 HD11 ILE A 43 8.249 9.374 -3.331 1.00 0.00 H new ATOM 0 HD12 ILE A 43 8.320 10.217 -4.897 1.00 0.00 H new ATOM 0 HD13 ILE A 43 9.812 9.942 -3.966 1.00 0.00 H new ATOM 649 N GLN A 44 10.388 15.790 -3.001 1.00 0.00 N ATOM 650 CA GLN A 44 11.240 16.912 -3.357 1.00 0.00 C ATOM 651 C GLN A 44 12.703 16.588 -3.044 1.00 0.00 C ATOM 652 O GLN A 44 13.025 15.464 -2.660 1.00 0.00 O ATOM 653 CB GLN A 44 10.796 18.187 -2.639 1.00 0.00 C ATOM 654 CG GLN A 44 9.478 18.710 -3.215 1.00 0.00 C ATOM 655 CD GLN A 44 9.458 20.240 -3.235 1.00 0.00 C ATOM 656 OE1 GLN A 44 10.358 20.892 -3.736 1.00 0.00 O ATOM 657 NE2 GLN A 44 8.382 20.774 -2.662 1.00 0.00 N ATOM 0 H GLN A 44 10.399 15.544 -2.011 1.00 0.00 H new ATOM 0 HA GLN A 44 11.148 17.087 -4.429 1.00 0.00 H new ATOM 0 HB2 GLN A 44 10.678 17.987 -1.574 1.00 0.00 H new ATOM 0 HB3 GLN A 44 11.568 18.951 -2.736 1.00 0.00 H new ATOM 0 HG2 GLN A 44 9.342 18.328 -4.227 1.00 0.00 H new ATOM 0 HG3 GLN A 44 8.644 18.339 -2.619 1.00 0.00 H new ATOM 0 HE21 GLN A 44 7.665 20.170 -2.261 1.00 0.00 H new ATOM 0 HE22 GLN A 44 8.275 21.788 -2.624 1.00 0.00 H new ATOM 666 N LYS A 45 13.549 17.592 -3.221 1.00 0.00 N ATOM 667 CA LYS A 45 14.969 17.428 -2.962 1.00 0.00 C ATOM 668 C LYS A 45 15.174 17.022 -1.502 1.00 0.00 C ATOM 669 O LYS A 45 16.059 16.225 -1.193 1.00 0.00 O ATOM 670 CB LYS A 45 15.736 18.690 -3.363 1.00 0.00 C ATOM 671 CG LYS A 45 15.597 19.778 -2.296 1.00 0.00 C ATOM 672 CD LYS A 45 14.238 20.474 -2.396 1.00 0.00 C ATOM 673 CE LYS A 45 14.222 21.765 -1.576 1.00 0.00 C ATOM 674 NZ LYS A 45 13.763 22.901 -2.406 1.00 0.00 N ATOM 0 H LYS A 45 13.278 18.522 -3.541 1.00 0.00 H new ATOM 0 HA LYS A 45 15.378 16.626 -3.576 1.00 0.00 H new ATOM 0 HB2 LYS A 45 16.789 18.449 -3.507 1.00 0.00 H new ATOM 0 HB3 LYS A 45 15.360 19.061 -4.317 1.00 0.00 H new ATOM 0 HG2 LYS A 45 15.712 19.338 -1.306 1.00 0.00 H new ATOM 0 HG3 LYS A 45 16.395 20.511 -2.413 1.00 0.00 H new ATOM 0 HD2 LYS A 45 14.016 20.699 -3.439 1.00 0.00 H new ATOM 0 HD3 LYS A 45 13.455 19.804 -2.041 1.00 0.00 H new ATOM 0 HE2 LYS A 45 13.565 21.647 -0.715 1.00 0.00 H new ATOM 0 HE3 LYS A 45 15.220 21.970 -1.189 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 13.758 23.769 -1.834 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 14.406 23.023 -3.214 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 12.802 22.710 -2.754 1.00 0.00 H new ATOM 688 N HIS A 46 14.341 17.588 -0.641 1.00 0.00 N ATOM 689 CA HIS A 46 14.419 17.295 0.780 1.00 0.00 C ATOM 690 C HIS A 46 14.035 15.834 1.025 1.00 0.00 C ATOM 691 O HIS A 46 14.517 15.211 1.970 1.00 0.00 O ATOM 692 CB HIS A 46 13.564 18.275 1.585 1.00 0.00 C ATOM 693 CG HIS A 46 12.082 17.995 1.520 1.00 0.00 C ATOM 694 ND1 HIS A 46 11.243 18.602 0.602 1.00 0.00 N ATOM 695 CD2 HIS A 46 11.298 17.166 2.268 1.00 0.00 C ATOM 696 CE1 HIS A 46 10.013 18.152 0.798 1.00 0.00 C ATOM 697 NE2 HIS A 46 10.049 17.262 1.831 1.00 0.00 N ATOM 0 H HIS A 46 13.608 18.248 -0.900 1.00 0.00 H new ATOM 0 HA HIS A 46 15.444 17.428 1.126 1.00 0.00 H new ATOM 0 HB2 HIS A 46 13.883 18.248 2.627 1.00 0.00 H new ATOM 0 HB3 HIS A 46 13.749 19.286 1.221 1.00 0.00 H new ATOM 0 HD2 HIS A 46 11.637 16.538 3.079 1.00 0.00 H new ATOM 0 HE1 HIS A 46 9.135 18.439 0.238 1.00 0.00 H new ATOM 0 HE2 HIS A 46 9.248 16.754 2.206 1.00 0.00 H new ATOM 705 N ASP A 47 13.170 15.330 0.157 1.00 0.00 N ATOM 706 CA ASP A 47 12.716 13.954 0.266 1.00 0.00 C ATOM 707 C ASP A 47 13.612 13.056 -0.589 1.00 0.00 C ATOM 708 O ASP A 47 13.122 12.309 -1.434 1.00 0.00 O ATOM 709 CB ASP A 47 11.279 13.806 -0.238 1.00 0.00 C ATOM 710 CG ASP A 47 10.282 14.809 0.347 1.00 0.00 C ATOM 711 OD1 ASP A 47 10.080 14.755 1.579 1.00 0.00 O ATOM 712 OD2 ASP A 47 9.744 15.606 -0.452 1.00 0.00 O ATOM 0 H ASP A 47 12.772 15.850 -0.625 1.00 0.00 H new ATOM 0 HA ASP A 47 12.761 13.667 1.317 1.00 0.00 H new ATOM 0 HB2 ASP A 47 11.278 13.907 -1.323 1.00 0.00 H new ATOM 0 HB3 ASP A 47 10.932 12.798 -0.011 1.00 0.00 H new ATOM 717 N ASP A 48 14.909 13.158 -0.339 1.00 0.00 N ATOM 718 CA ASP A 48 15.878 12.364 -1.075 1.00 0.00 C ATOM 719 C ASP A 48 16.209 11.102 -0.277 1.00 0.00 C ATOM 720 O ASP A 48 15.914 9.991 -0.715 1.00 0.00 O ATOM 721 CB ASP A 48 17.178 13.142 -1.290 1.00 0.00 C ATOM 722 CG ASP A 48 18.157 12.503 -2.277 1.00 0.00 C ATOM 723 OD1 ASP A 48 18.926 11.627 -1.826 1.00 0.00 O ATOM 724 OD2 ASP A 48 18.115 12.906 -3.460 1.00 0.00 O ATOM 0 H ASP A 48 15.312 13.779 0.363 1.00 0.00 H new ATOM 0 HA ASP A 48 15.443 12.114 -2.043 1.00 0.00 H new ATOM 0 HB2 ASP A 48 16.931 14.143 -1.643 1.00 0.00 H new ATOM 0 HB3 ASP A 48 17.678 13.258 -0.328 1.00 0.00 H new ATOM 729 N VAL A 49 16.816 11.315 0.881 1.00 0.00 N ATOM 730 CA VAL A 49 17.191 10.208 1.745 1.00 0.00 C ATOM 731 C VAL A 49 15.926 9.494 2.229 1.00 0.00 C ATOM 732 O VAL A 49 15.845 8.268 2.182 1.00 0.00 O ATOM 733 CB VAL A 49 18.068 10.712 2.892 1.00 0.00 C ATOM 734 CG1 VAL A 49 18.476 9.564 3.817 1.00 0.00 C ATOM 735 CG2 VAL A 49 19.298 11.450 2.358 1.00 0.00 C ATOM 0 H VAL A 49 17.058 12.238 1.242 1.00 0.00 H new ATOM 0 HA VAL A 49 17.787 9.479 1.195 1.00 0.00 H new ATOM 0 HB VAL A 49 17.480 11.419 3.477 1.00 0.00 H new ATOM 0 HG11 VAL A 49 19.099 9.951 4.624 1.00 0.00 H new ATOM 0 HG12 VAL A 49 17.583 9.101 4.238 1.00 0.00 H new ATOM 0 HG13 VAL A 49 19.037 8.821 3.250 1.00 0.00 H new ATOM 0 HG21 VAL A 49 19.905 11.798 3.194 1.00 0.00 H new ATOM 0 HG22 VAL A 49 19.887 10.774 1.738 1.00 0.00 H new ATOM 0 HG23 VAL A 49 18.979 12.304 1.761 1.00 0.00 H new ATOM 745 N ALA A 50 14.971 10.293 2.682 1.00 0.00 N ATOM 746 CA ALA A 50 13.715 9.753 3.174 1.00 0.00 C ATOM 747 C ALA A 50 13.179 8.728 2.172 1.00 0.00 C ATOM 748 O ALA A 50 12.553 7.743 2.562 1.00 0.00 O ATOM 749 CB ALA A 50 12.730 10.897 3.421 1.00 0.00 C ATOM 0 H ALA A 50 15.042 11.310 2.719 1.00 0.00 H new ATOM 0 HA ALA A 50 13.863 9.239 4.124 1.00 0.00 H new ATOM 0 HB1 ALA A 50 11.788 10.492 3.790 1.00 0.00 H new ATOM 0 HB2 ALA A 50 13.145 11.582 4.161 1.00 0.00 H new ATOM 0 HB3 ALA A 50 12.554 11.433 2.489 1.00 0.00 H new ATOM 755 N VAL A 51 13.444 8.994 0.902 1.00 0.00 N ATOM 756 CA VAL A 51 12.996 8.107 -0.158 1.00 0.00 C ATOM 757 C VAL A 51 13.881 6.860 -0.182 1.00 0.00 C ATOM 758 O VAL A 51 13.378 5.737 -0.203 1.00 0.00 O ATOM 759 CB VAL A 51 12.979 8.854 -1.493 1.00 0.00 C ATOM 760 CG1 VAL A 51 12.722 7.893 -2.656 1.00 0.00 C ATOM 761 CG2 VAL A 51 11.947 9.983 -1.477 1.00 0.00 C ATOM 0 H VAL A 51 13.964 9.812 0.583 1.00 0.00 H new ATOM 0 HA VAL A 51 11.974 7.776 0.027 1.00 0.00 H new ATOM 0 HB VAL A 51 13.962 9.301 -1.639 1.00 0.00 H new ATOM 0 HG11 VAL A 51 12.715 8.450 -3.593 1.00 0.00 H new ATOM 0 HG12 VAL A 51 13.510 7.140 -2.687 1.00 0.00 H new ATOM 0 HG13 VAL A 51 11.758 7.404 -2.517 1.00 0.00 H new ATOM 0 HG21 VAL A 51 11.956 10.498 -2.438 1.00 0.00 H new ATOM 0 HG22 VAL A 51 10.956 9.567 -1.297 1.00 0.00 H new ATOM 0 HG23 VAL A 51 12.193 10.690 -0.685 1.00 0.00 H new ATOM 771 N GLU A 52 15.184 7.098 -0.177 1.00 0.00 N ATOM 772 CA GLU A 52 16.145 6.008 -0.198 1.00 0.00 C ATOM 773 C GLU A 52 15.969 5.123 1.038 1.00 0.00 C ATOM 774 O GLU A 52 16.024 3.898 0.941 1.00 0.00 O ATOM 775 CB GLU A 52 17.576 6.539 -0.293 1.00 0.00 C ATOM 776 CG GLU A 52 18.255 6.535 1.078 1.00 0.00 C ATOM 777 CD GLU A 52 19.632 7.198 1.010 1.00 0.00 C ATOM 778 OE1 GLU A 52 19.863 7.926 0.021 1.00 0.00 O ATOM 779 OE2 GLU A 52 20.423 6.961 1.948 1.00 0.00 O ATOM 0 H GLU A 52 15.597 8.030 -0.159 1.00 0.00 H new ATOM 0 HA GLU A 52 15.959 5.402 -1.085 1.00 0.00 H new ATOM 0 HB2 GLU A 52 18.150 5.926 -0.988 1.00 0.00 H new ATOM 0 HB3 GLU A 52 17.566 7.552 -0.695 1.00 0.00 H new ATOM 0 HG2 GLU A 52 17.629 7.061 1.799 1.00 0.00 H new ATOM 0 HG3 GLU A 52 18.358 5.510 1.434 1.00 0.00 H new ATOM 786 N GLN A 53 15.762 5.778 2.171 1.00 0.00 N ATOM 787 CA GLN A 53 15.579 5.066 3.424 1.00 0.00 C ATOM 788 C GLN A 53 14.360 4.145 3.338 1.00 0.00 C ATOM 789 O GLN A 53 14.399 3.011 3.812 1.00 0.00 O ATOM 790 CB GLN A 53 15.447 6.042 4.595 1.00 0.00 C ATOM 791 CG GLN A 53 16.710 6.035 5.459 1.00 0.00 C ATOM 792 CD GLN A 53 16.359 5.889 6.941 1.00 0.00 C ATOM 793 OE1 GLN A 53 15.918 4.849 7.402 1.00 0.00 O ATOM 794 NE2 GLN A 53 16.579 6.986 7.660 1.00 0.00 N ATOM 0 H GLN A 53 15.717 6.794 2.247 1.00 0.00 H new ATOM 0 HA GLN A 53 16.462 4.452 3.603 1.00 0.00 H new ATOM 0 HB2 GLN A 53 15.267 7.048 4.216 1.00 0.00 H new ATOM 0 HB3 GLN A 53 14.584 5.771 5.203 1.00 0.00 H new ATOM 0 HG2 GLN A 53 17.360 5.215 5.153 1.00 0.00 H new ATOM 0 HG3 GLN A 53 17.267 6.959 5.303 1.00 0.00 H new ATOM 0 HE21 GLN A 53 16.950 7.824 7.212 1.00 0.00 H new ATOM 0 HE22 GLN A 53 16.377 6.990 8.660 1.00 0.00 H new ATOM 803 N PHE A 54 13.305 4.668 2.730 1.00 0.00 N ATOM 804 CA PHE A 54 12.077 3.907 2.576 1.00 0.00 C ATOM 805 C PHE A 54 12.306 2.663 1.715 1.00 0.00 C ATOM 806 O PHE A 54 11.896 1.564 2.084 1.00 0.00 O ATOM 807 CB PHE A 54 11.070 4.820 1.873 1.00 0.00 C ATOM 808 CG PHE A 54 9.641 4.274 1.855 1.00 0.00 C ATOM 809 CD1 PHE A 54 8.862 4.372 2.965 1.00 0.00 C ATOM 810 CD2 PHE A 54 9.150 3.690 0.729 1.00 0.00 C ATOM 811 CE1 PHE A 54 7.535 3.865 2.948 1.00 0.00 C ATOM 812 CE2 PHE A 54 7.824 3.183 0.712 1.00 0.00 C ATOM 813 CZ PHE A 54 7.045 3.282 1.822 1.00 0.00 C ATOM 0 H PHE A 54 13.276 5.609 2.338 1.00 0.00 H new ATOM 0 HA PHE A 54 11.718 3.580 3.552 1.00 0.00 H new ATOM 0 HB2 PHE A 54 11.070 5.792 2.366 1.00 0.00 H new ATOM 0 HB3 PHE A 54 11.398 4.984 0.847 1.00 0.00 H new ATOM 0 HD1 PHE A 54 9.252 4.835 3.859 1.00 0.00 H new ATOM 0 HD2 PHE A 54 9.769 3.612 -0.152 1.00 0.00 H new ATOM 0 HE1 PHE A 54 6.916 3.943 3.829 1.00 0.00 H new ATOM 0 HE2 PHE A 54 7.434 2.719 -0.182 1.00 0.00 H new ATOM 0 HZ PHE A 54 6.036 2.897 1.809 1.00 0.00 H new ATOM 823 N CYS A 55 12.962 2.879 0.584 1.00 0.00 N ATOM 824 CA CYS A 55 13.251 1.789 -0.332 1.00 0.00 C ATOM 825 C CYS A 55 14.090 0.746 0.411 1.00 0.00 C ATOM 826 O CYS A 55 13.792 -0.446 0.359 1.00 0.00 O ATOM 827 CB CYS A 55 13.950 2.285 -1.599 1.00 0.00 C ATOM 828 SG CYS A 55 14.653 0.870 -2.522 1.00 0.00 S ATOM 0 H CYS A 55 13.301 3.792 0.282 1.00 0.00 H new ATOM 0 HA CYS A 55 12.318 1.334 -0.665 1.00 0.00 H new ATOM 0 HB2 CYS A 55 13.241 2.824 -2.228 1.00 0.00 H new ATOM 0 HB3 CYS A 55 14.741 2.987 -1.336 1.00 0.00 H new ATOM 0 HG CYS A 55 15.242 1.303 -3.597 1.00 0.00 H new ATOM 834 N ALA A 56 15.121 1.234 1.085 1.00 0.00 N ATOM 835 CA ALA A 56 16.004 0.360 1.837 1.00 0.00 C ATOM 836 C ALA A 56 15.165 -0.578 2.709 1.00 0.00 C ATOM 837 O ALA A 56 15.598 -1.682 3.033 1.00 0.00 O ATOM 838 CB ALA A 56 16.979 1.204 2.660 1.00 0.00 C ATOM 0 H ALA A 56 15.364 2.224 1.126 1.00 0.00 H new ATOM 0 HA ALA A 56 16.597 -0.258 1.163 1.00 0.00 H new ATOM 0 HB1 ALA A 56 17.642 0.548 3.224 1.00 0.00 H new ATOM 0 HB2 ALA A 56 17.571 1.830 1.993 1.00 0.00 H new ATOM 0 HB3 ALA A 56 16.420 1.836 3.350 1.00 0.00 H new ATOM 844 N GLU A 57 13.981 -0.102 3.063 1.00 0.00 N ATOM 845 CA GLU A 57 13.078 -0.884 3.891 1.00 0.00 C ATOM 846 C GLU A 57 12.138 -1.714 3.014 1.00 0.00 C ATOM 847 O GLU A 57 12.295 -2.929 2.907 1.00 0.00 O ATOM 848 CB GLU A 57 12.287 0.017 4.842 1.00 0.00 C ATOM 849 CG GLU A 57 12.496 -0.404 6.297 1.00 0.00 C ATOM 850 CD GLU A 57 11.290 -0.021 7.158 1.00 0.00 C ATOM 851 OE1 GLU A 57 10.755 1.085 6.925 1.00 0.00 O ATOM 852 OE2 GLU A 57 10.931 -0.842 8.029 1.00 0.00 O ATOM 0 H GLU A 57 13.626 0.815 2.792 1.00 0.00 H new ATOM 0 HA GLU A 57 13.673 -1.566 4.499 1.00 0.00 H new ATOM 0 HB2 GLU A 57 12.599 1.053 4.711 1.00 0.00 H new ATOM 0 HB3 GLU A 57 11.226 -0.030 4.595 1.00 0.00 H new ATOM 0 HG2 GLU A 57 12.656 -1.481 6.348 1.00 0.00 H new ATOM 0 HG3 GLU A 57 13.394 0.071 6.691 1.00 0.00 H new ATOM 859 N THR A 58 11.182 -1.025 2.408 1.00 0.00 N ATOM 860 CA THR A 58 10.218 -1.683 1.544 1.00 0.00 C ATOM 861 C THR A 58 10.915 -2.266 0.314 1.00 0.00 C ATOM 862 O THR A 58 10.806 -3.461 0.042 1.00 0.00 O ATOM 863 CB THR A 58 9.123 -0.671 1.200 1.00 0.00 C ATOM 864 OG1 THR A 58 9.824 0.560 1.049 1.00 0.00 O ATOM 865 CG2 THR A 58 8.172 -0.417 2.371 1.00 0.00 C ATOM 0 H THR A 58 11.055 -0.017 2.499 1.00 0.00 H new ATOM 0 HA THR A 58 9.751 -2.530 2.046 1.00 0.00 H new ATOM 0 HB THR A 58 8.554 -1.029 0.342 1.00 0.00 H new ATOM 0 HG1 THR A 58 9.181 1.295 0.969 1.00 0.00 H new ATOM 0 HG21 THR A 58 7.415 0.308 2.074 1.00 0.00 H new ATOM 0 HG22 THR A 58 7.688 -1.351 2.656 1.00 0.00 H new ATOM 0 HG23 THR A 58 8.735 -0.027 3.219 1.00 0.00 H new ATOM 873 N GLY A 59 11.616 -1.395 -0.398 1.00 0.00 N ATOM 874 CA GLY A 59 12.331 -1.809 -1.593 1.00 0.00 C ATOM 875 C GLY A 59 11.688 -1.216 -2.849 1.00 0.00 C ATOM 876 O GLY A 59 12.017 -1.613 -3.966 1.00 0.00 O ATOM 0 H GLY A 59 11.704 -0.405 -0.170 1.00 0.00 H new ATOM 0 HA2 GLY A 59 13.371 -1.490 -1.528 1.00 0.00 H new ATOM 0 HA3 GLY A 59 12.334 -2.897 -1.661 1.00 0.00 H new ATOM 880 N VAL A 60 10.783 -0.275 -2.624 1.00 0.00 N ATOM 881 CA VAL A 60 10.091 0.376 -3.723 1.00 0.00 C ATOM 882 C VAL A 60 11.038 1.370 -4.399 1.00 0.00 C ATOM 883 O VAL A 60 11.751 2.111 -3.723 1.00 0.00 O ATOM 884 CB VAL A 60 8.802 1.027 -3.218 1.00 0.00 C ATOM 885 CG1 VAL A 60 8.083 1.768 -4.347 1.00 0.00 C ATOM 886 CG2 VAL A 60 7.882 -0.009 -2.569 1.00 0.00 C ATOM 0 H VAL A 60 10.513 0.052 -1.696 1.00 0.00 H new ATOM 0 HA VAL A 60 9.796 -0.356 -4.475 1.00 0.00 H new ATOM 0 HB VAL A 60 9.072 1.758 -2.456 1.00 0.00 H new ATOM 0 HG11 VAL A 60 7.170 2.221 -3.961 1.00 0.00 H new ATOM 0 HG12 VAL A 60 8.735 2.546 -4.744 1.00 0.00 H new ATOM 0 HG13 VAL A 60 7.831 1.065 -5.141 1.00 0.00 H new ATOM 0 HG21 VAL A 60 6.973 0.480 -2.219 1.00 0.00 H new ATOM 0 HG22 VAL A 60 7.623 -0.775 -3.300 1.00 0.00 H new ATOM 0 HG23 VAL A 60 8.393 -0.472 -1.725 1.00 0.00 H new ATOM 896 N ARG A 61 11.015 1.354 -5.723 1.00 0.00 N ATOM 897 CA ARG A 61 11.863 2.245 -6.497 1.00 0.00 C ATOM 898 C ARG A 61 11.275 3.657 -6.511 1.00 0.00 C ATOM 899 O ARG A 61 10.084 3.836 -6.760 1.00 0.00 O ATOM 900 CB ARG A 61 12.014 1.749 -7.937 1.00 0.00 C ATOM 901 CG ARG A 61 12.795 0.434 -7.984 1.00 0.00 C ATOM 902 CD ARG A 61 13.715 0.387 -9.206 1.00 0.00 C ATOM 903 NE ARG A 61 14.813 -0.578 -8.975 1.00 0.00 N ATOM 904 CZ ARG A 61 14.667 -1.909 -9.029 1.00 0.00 C ATOM 905 NH1 ARG A 61 13.469 -2.442 -9.305 1.00 0.00 N ATOM 906 NH2 ARG A 61 15.720 -2.708 -8.806 1.00 0.00 N ATOM 0 H ARG A 61 10.423 0.738 -6.280 1.00 0.00 H new ATOM 0 HA ARG A 61 12.845 2.261 -6.025 1.00 0.00 H new ATOM 0 HB2 ARG A 61 11.029 1.607 -8.382 1.00 0.00 H new ATOM 0 HB3 ARG A 61 12.528 2.503 -8.533 1.00 0.00 H new ATOM 0 HG2 ARG A 61 13.386 0.325 -7.075 1.00 0.00 H new ATOM 0 HG3 ARG A 61 12.100 -0.405 -8.015 1.00 0.00 H new ATOM 0 HD2 ARG A 61 13.146 0.098 -10.089 1.00 0.00 H new ATOM 0 HD3 ARG A 61 14.125 1.378 -9.401 1.00 0.00 H new ATOM 0 HE ARG A 61 15.739 -0.207 -8.761 1.00 0.00 H new ATOM 0 HH11 ARG A 61 12.667 -1.835 -9.474 1.00 0.00 H new ATOM 0 HH12 ARG A 61 13.359 -3.455 -9.346 1.00 0.00 H new ATOM 0 HH21 ARG A 61 16.632 -2.303 -8.595 1.00 0.00 H new ATOM 0 HH22 ARG A 61 15.609 -3.721 -8.847 1.00 0.00 H new ATOM 920 N ARG A 62 12.139 4.626 -6.241 1.00 0.00 N ATOM 921 CA ARG A 62 11.720 6.017 -6.219 1.00 0.00 C ATOM 922 C ARG A 62 10.715 6.286 -7.341 1.00 0.00 C ATOM 923 O ARG A 62 9.666 6.886 -7.108 1.00 0.00 O ATOM 924 CB ARG A 62 12.918 6.955 -6.381 1.00 0.00 C ATOM 925 CG ARG A 62 12.473 8.419 -6.372 1.00 0.00 C ATOM 926 CD ARG A 62 13.385 9.274 -7.255 1.00 0.00 C ATOM 927 NE ARG A 62 13.657 10.571 -6.595 1.00 0.00 N ATOM 928 CZ ARG A 62 14.579 11.447 -7.014 1.00 0.00 C ATOM 929 NH1 ARG A 62 15.324 11.172 -8.093 1.00 0.00 N ATOM 930 NH2 ARG A 62 14.757 12.600 -6.353 1.00 0.00 N ATOM 0 H ARG A 62 13.127 4.475 -6.036 1.00 0.00 H new ATOM 0 HA ARG A 62 11.251 6.208 -5.253 1.00 0.00 H new ATOM 0 HB2 ARG A 62 13.631 6.783 -5.575 1.00 0.00 H new ATOM 0 HB3 ARG A 62 13.434 6.734 -7.315 1.00 0.00 H new ATOM 0 HG2 ARG A 62 11.445 8.493 -6.726 1.00 0.00 H new ATOM 0 HG3 ARG A 62 12.487 8.801 -5.351 1.00 0.00 H new ATOM 0 HD2 ARG A 62 14.321 8.748 -7.442 1.00 0.00 H new ATOM 0 HD3 ARG A 62 12.914 9.441 -8.224 1.00 0.00 H new ATOM 0 HE ARG A 62 13.108 10.812 -5.770 1.00 0.00 H new ATOM 0 HH11 ARG A 62 15.189 10.295 -8.596 1.00 0.00 H new ATOM 0 HH12 ARG A 62 16.026 11.840 -8.412 1.00 0.00 H new ATOM 0 HH21 ARG A 62 14.190 12.810 -5.531 1.00 0.00 H new ATOM 0 HH22 ARG A 62 15.459 13.268 -6.672 1.00 0.00 H new ATOM 944 N GLN A 63 11.070 5.830 -8.533 1.00 0.00 N ATOM 945 CA GLN A 63 10.212 6.014 -9.691 1.00 0.00 C ATOM 946 C GLN A 63 8.858 5.341 -9.460 1.00 0.00 C ATOM 947 O GLN A 63 7.813 5.926 -9.741 1.00 0.00 O ATOM 948 CB GLN A 63 10.881 5.482 -10.959 1.00 0.00 C ATOM 949 CG GLN A 63 10.605 3.987 -11.138 1.00 0.00 C ATOM 950 CD GLN A 63 11.290 3.450 -12.397 1.00 0.00 C ATOM 951 OE1 GLN A 63 11.542 4.167 -13.351 1.00 0.00 O ATOM 952 NE2 GLN A 63 11.577 2.153 -12.345 1.00 0.00 N ATOM 0 H GLN A 63 11.941 5.333 -8.722 1.00 0.00 H new ATOM 0 HA GLN A 63 10.045 7.082 -9.830 1.00 0.00 H new ATOM 0 HB2 GLN A 63 10.513 6.030 -11.826 1.00 0.00 H new ATOM 0 HB3 GLN A 63 11.956 5.653 -10.907 1.00 0.00 H new ATOM 0 HG2 GLN A 63 10.961 3.441 -10.265 1.00 0.00 H new ATOM 0 HG3 GLN A 63 9.530 3.817 -11.204 1.00 0.00 H new ATOM 0 HE21 GLN A 63 11.338 1.611 -11.515 1.00 0.00 H new ATOM 0 HE22 GLN A 63 12.036 1.700 -13.135 1.00 0.00 H new ATOM 961 N VAL A 64 8.920 4.119 -8.952 1.00 0.00 N ATOM 962 CA VAL A 64 7.711 3.359 -8.681 1.00 0.00 C ATOM 963 C VAL A 64 6.925 4.041 -7.560 1.00 0.00 C ATOM 964 O VAL A 64 5.715 4.232 -7.672 1.00 0.00 O ATOM 965 CB VAL A 64 8.067 1.905 -8.362 1.00 0.00 C ATOM 966 CG1 VAL A 64 6.808 1.079 -8.090 1.00 0.00 C ATOM 967 CG2 VAL A 64 8.898 1.285 -9.487 1.00 0.00 C ATOM 0 H VAL A 64 9.788 3.636 -8.721 1.00 0.00 H new ATOM 0 HA VAL A 64 7.069 3.337 -9.562 1.00 0.00 H new ATOM 0 HB VAL A 64 8.673 1.899 -7.456 1.00 0.00 H new ATOM 0 HG11 VAL A 64 7.089 0.050 -7.866 1.00 0.00 H new ATOM 0 HG12 VAL A 64 6.272 1.502 -7.240 1.00 0.00 H new ATOM 0 HG13 VAL A 64 6.165 1.096 -8.970 1.00 0.00 H new ATOM 0 HG21 VAL A 64 9.138 0.252 -9.235 1.00 0.00 H new ATOM 0 HG22 VAL A 64 8.328 1.310 -10.416 1.00 0.00 H new ATOM 0 HG23 VAL A 64 9.821 1.851 -9.612 1.00 0.00 H new ATOM 977 N LEU A 65 7.645 4.391 -6.504 1.00 0.00 N ATOM 978 CA LEU A 65 7.031 5.049 -5.363 1.00 0.00 C ATOM 979 C LEU A 65 6.439 6.387 -5.810 1.00 0.00 C ATOM 980 O LEU A 65 5.257 6.650 -5.594 1.00 0.00 O ATOM 981 CB LEU A 65 8.031 5.172 -4.212 1.00 0.00 C ATOM 982 CG LEU A 65 7.733 6.259 -3.178 1.00 0.00 C ATOM 983 CD1 LEU A 65 6.588 5.839 -2.255 1.00 0.00 C ATOM 984 CD2 LEU A 65 8.994 6.631 -2.395 1.00 0.00 C ATOM 0 H LEU A 65 8.648 4.231 -6.415 1.00 0.00 H new ATOM 0 HA LEU A 65 6.208 4.449 -4.975 1.00 0.00 H new ATOM 0 HB2 LEU A 65 8.082 4.213 -3.697 1.00 0.00 H new ATOM 0 HB3 LEU A 65 9.018 5.360 -4.633 1.00 0.00 H new ATOM 0 HG LEU A 65 7.407 7.154 -3.708 1.00 0.00 H new ATOM 0 HD11 LEU A 65 6.397 6.630 -1.530 1.00 0.00 H new ATOM 0 HD12 LEU A 65 5.689 5.664 -2.847 1.00 0.00 H new ATOM 0 HD13 LEU A 65 6.861 4.923 -1.730 1.00 0.00 H new ATOM 0 HD21 LEU A 65 8.755 7.406 -1.667 1.00 0.00 H new ATOM 0 HD22 LEU A 65 9.373 5.750 -1.877 1.00 0.00 H new ATOM 0 HD23 LEU A 65 9.753 7.002 -3.083 1.00 0.00 H new ATOM 996 N LYS A 66 7.288 7.198 -6.423 1.00 0.00 N ATOM 997 CA LYS A 66 6.864 8.503 -6.902 1.00 0.00 C ATOM 998 C LYS A 66 5.601 8.344 -7.750 1.00 0.00 C ATOM 999 O LYS A 66 4.589 8.995 -7.491 1.00 0.00 O ATOM 1000 CB LYS A 66 8.011 9.205 -7.631 1.00 0.00 C ATOM 1001 CG LYS A 66 7.615 10.626 -8.038 1.00 0.00 C ATOM 1002 CD LYS A 66 7.250 10.690 -9.522 1.00 0.00 C ATOM 1003 CE LYS A 66 8.379 11.326 -10.336 1.00 0.00 C ATOM 1004 NZ LYS A 66 7.825 12.195 -11.399 1.00 0.00 N ATOM 0 H LYS A 66 8.268 6.977 -6.599 1.00 0.00 H new ATOM 0 HA LYS A 66 6.606 9.151 -6.065 1.00 0.00 H new ATOM 0 HB2 LYS A 66 8.889 9.239 -6.986 1.00 0.00 H new ATOM 0 HB3 LYS A 66 8.288 8.633 -8.517 1.00 0.00 H new ATOM 0 HG2 LYS A 66 6.768 10.957 -7.437 1.00 0.00 H new ATOM 0 HG3 LYS A 66 8.439 11.310 -7.833 1.00 0.00 H new ATOM 0 HD2 LYS A 66 7.049 9.686 -9.895 1.00 0.00 H new ATOM 0 HD3 LYS A 66 6.334 11.267 -9.651 1.00 0.00 H new ATOM 0 HE2 LYS A 66 9.024 11.910 -9.680 1.00 0.00 H new ATOM 0 HE3 LYS A 66 8.998 10.547 -10.781 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 8.604 12.619 -11.942 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 7.228 11.628 -12.035 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 7.253 12.949 -10.968 1.00 0.00 H new ATOM 1018 N ILE A 67 5.701 7.476 -8.746 1.00 0.00 N ATOM 1019 CA ILE A 67 4.579 7.224 -9.634 1.00 0.00 C ATOM 1020 C ILE A 67 3.415 6.645 -8.827 1.00 0.00 C ATOM 1021 O ILE A 67 2.263 7.024 -9.033 1.00 0.00 O ATOM 1022 CB ILE A 67 5.012 6.343 -10.808 1.00 0.00 C ATOM 1023 CG1 ILE A 67 6.195 6.965 -11.553 1.00 0.00 C ATOM 1024 CG2 ILE A 67 3.834 6.055 -11.741 1.00 0.00 C ATOM 1025 CD1 ILE A 67 7.048 5.887 -12.223 1.00 0.00 C ATOM 0 H ILE A 67 6.542 6.939 -8.958 1.00 0.00 H new ATOM 0 HA ILE A 67 4.228 8.156 -10.077 1.00 0.00 H new ATOM 0 HB ILE A 67 5.349 5.386 -10.411 1.00 0.00 H new ATOM 0 HG12 ILE A 67 5.829 7.664 -12.305 1.00 0.00 H new ATOM 0 HG13 ILE A 67 6.807 7.538 -10.857 1.00 0.00 H new ATOM 0 HG21 ILE A 67 4.169 5.427 -12.567 1.00 0.00 H new ATOM 0 HG22 ILE A 67 3.049 5.539 -11.188 1.00 0.00 H new ATOM 0 HG23 ILE A 67 3.443 6.994 -12.134 1.00 0.00 H new ATOM 0 HD11 ILE A 67 7.882 6.356 -12.746 1.00 0.00 H new ATOM 0 HD12 ILE A 67 7.432 5.204 -11.465 1.00 0.00 H new ATOM 0 HD13 ILE A 67 6.439 5.332 -12.936 1.00 0.00 H new ATOM 1037 N TRP A 68 3.757 5.736 -7.926 1.00 0.00 N ATOM 1038 CA TRP A 68 2.755 5.101 -7.087 1.00 0.00 C ATOM 1039 C TRP A 68 1.884 6.200 -6.475 1.00 0.00 C ATOM 1040 O TRP A 68 0.666 6.199 -6.645 1.00 0.00 O ATOM 1041 CB TRP A 68 3.409 4.202 -6.036 1.00 0.00 C ATOM 1042 CG TRP A 68 2.420 3.570 -5.054 1.00 0.00 C ATOM 1043 CD1 TRP A 68 1.839 2.365 -5.129 1.00 0.00 C ATOM 1044 CD2 TRP A 68 1.917 4.164 -3.839 1.00 0.00 C ATOM 1045 NE1 TRP A 68 1.002 2.140 -4.056 1.00 0.00 N ATOM 1046 CE2 TRP A 68 1.051 3.268 -3.246 1.00 0.00 C ATOM 1047 CE3 TRP A 68 2.185 5.417 -3.259 1.00 0.00 C ATOM 1048 CZ2 TRP A 68 0.382 3.529 -2.044 1.00 0.00 C ATOM 1049 CZ3 TRP A 68 1.509 5.662 -2.058 1.00 0.00 C ATOM 1050 CH2 TRP A 68 0.634 4.771 -1.449 1.00 0.00 C ATOM 0 H TRP A 68 4.714 5.424 -7.759 1.00 0.00 H new ATOM 0 HA TRP A 68 2.119 4.442 -7.678 1.00 0.00 H new ATOM 0 HB2 TRP A 68 3.959 3.409 -6.543 1.00 0.00 H new ATOM 0 HB3 TRP A 68 4.138 4.787 -5.475 1.00 0.00 H new ATOM 0 HD1 TRP A 68 2.005 1.659 -5.929 1.00 0.00 H new ATOM 0 HE1 TRP A 68 0.449 1.300 -3.888 1.00 0.00 H new ATOM 0 HE3 TRP A 68 2.859 6.133 -3.705 1.00 0.00 H new ATOM 0 HZ2 TRP A 68 -0.292 2.811 -1.600 1.00 0.00 H new ATOM 0 HZ3 TRP A 68 1.680 6.610 -1.570 1.00 0.00 H new ATOM 0 HH2 TRP A 68 0.150 5.035 -0.520 1.00 0.00 H new ATOM 1061 N MET A 69 2.543 7.112 -5.776 1.00 0.00 N ATOM 1062 CA MET A 69 1.845 8.215 -5.138 1.00 0.00 C ATOM 1063 C MET A 69 0.973 8.968 -6.145 1.00 0.00 C ATOM 1064 O MET A 69 -0.201 9.225 -5.885 1.00 0.00 O ATOM 1065 CB MET A 69 2.863 9.177 -4.523 1.00 0.00 C ATOM 1066 CG MET A 69 3.545 8.550 -3.306 1.00 0.00 C ATOM 1067 SD MET A 69 4.123 9.829 -2.203 1.00 0.00 S ATOM 1068 CE MET A 69 5.827 9.940 -2.722 1.00 0.00 C ATOM 0 H MET A 69 3.554 7.110 -5.637 1.00 0.00 H new ATOM 0 HA MET A 69 1.199 7.810 -4.359 1.00 0.00 H new ATOM 0 HB2 MET A 69 3.613 9.443 -5.268 1.00 0.00 H new ATOM 0 HB3 MET A 69 2.364 10.101 -4.229 1.00 0.00 H new ATOM 0 HG2 MET A 69 2.846 7.897 -2.784 1.00 0.00 H new ATOM 0 HG3 MET A 69 4.382 7.930 -3.627 1.00 0.00 H new ATOM 0 HE1 MET A 69 6.417 10.410 -1.935 1.00 0.00 H new ATOM 0 HE2 MET A 69 6.214 8.940 -2.917 1.00 0.00 H new ATOM 0 HE3 MET A 69 5.892 10.538 -3.631 1.00 0.00 H new ATOM 1078 N HIS A 70 1.582 9.301 -7.274 1.00 0.00 N ATOM 1079 CA HIS A 70 0.877 10.019 -8.321 1.00 0.00 C ATOM 1080 C HIS A 70 -0.329 9.199 -8.784 1.00 0.00 C ATOM 1081 O HIS A 70 -1.261 9.739 -9.377 1.00 0.00 O ATOM 1082 CB HIS A 70 1.825 10.378 -9.467 1.00 0.00 C ATOM 1083 CG HIS A 70 1.123 10.731 -10.757 1.00 0.00 C ATOM 1084 ND1 HIS A 70 0.291 11.829 -10.881 1.00 0.00 N ATOM 1085 CD2 HIS A 70 1.140 10.120 -11.976 1.00 0.00 C ATOM 1086 CE1 HIS A 70 -0.169 11.867 -12.124 1.00 0.00 C ATOM 1087 NE2 HIS A 70 0.358 10.807 -12.800 1.00 0.00 N ATOM 0 H HIS A 70 2.556 9.086 -7.486 1.00 0.00 H new ATOM 0 HA HIS A 70 0.501 10.964 -7.928 1.00 0.00 H new ATOM 0 HB2 HIS A 70 2.446 11.220 -9.161 1.00 0.00 H new ATOM 0 HB3 HIS A 70 2.495 9.537 -9.648 1.00 0.00 H new ATOM 0 HD2 HIS A 70 1.695 9.229 -12.228 1.00 0.00 H new ATOM 0 HE1 HIS A 70 -0.843 12.607 -12.530 1.00 0.00 H new ATOM 0 HE2 HIS A 70 0.181 10.579 -13.778 1.00 0.00 H new ATOM 1095 N ASN A 71 -0.271 7.907 -8.494 1.00 0.00 N ATOM 1096 CA ASN A 71 -1.346 7.006 -8.873 1.00 0.00 C ATOM 1097 C ASN A 71 -2.260 6.775 -7.668 1.00 0.00 C ATOM 1098 O ASN A 71 -2.922 5.742 -7.576 1.00 0.00 O ATOM 1099 CB ASN A 71 -0.798 5.649 -9.318 1.00 0.00 C ATOM 1100 CG ASN A 71 -0.829 5.518 -10.842 1.00 0.00 C ATOM 1101 OD1 ASN A 71 -1.861 5.638 -11.480 1.00 0.00 O ATOM 1102 ND2 ASN A 71 0.358 5.265 -11.387 1.00 0.00 N ATOM 0 H ASN A 71 0.504 7.463 -8.001 1.00 0.00 H new ATOM 0 HA ASN A 71 -1.892 7.462 -9.699 1.00 0.00 H new ATOM 0 HB2 ASN A 71 0.225 5.531 -8.960 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -1.387 4.850 -8.869 1.00 0.00 H new ATOM 0 HD21 ASN A 71 0.443 5.160 -12.398 1.00 0.00 H new ATOM 0 HD22 ASN A 71 1.183 5.177 -10.794 1.00 0.00 H new ATOM 1109 N ASN A 72 -2.268 7.753 -6.775 1.00 0.00 N ATOM 1110 CA ASN A 72 -3.090 7.669 -5.580 1.00 0.00 C ATOM 1111 C ASN A 72 -3.730 9.033 -5.309 1.00 0.00 C ATOM 1112 O ASN A 72 -4.951 9.140 -5.206 1.00 0.00 O ATOM 1113 CB ASN A 72 -2.250 7.290 -4.359 1.00 0.00 C ATOM 1114 CG ASN A 72 -1.970 5.786 -4.332 1.00 0.00 C ATOM 1115 OD1 ASN A 72 -2.816 4.978 -3.986 1.00 0.00 O ATOM 1116 ND2 ASN A 72 -0.739 5.458 -4.714 1.00 0.00 N ATOM 0 H ASN A 72 -1.718 8.608 -6.855 1.00 0.00 H new ATOM 0 HA ASN A 72 -3.849 6.905 -5.746 1.00 0.00 H new ATOM 0 HB2 ASN A 72 -1.308 7.839 -4.376 1.00 0.00 H new ATOM 0 HB3 ASN A 72 -2.773 7.583 -3.448 1.00 0.00 H new ATOM 0 HD21 ASN A 72 -0.454 4.479 -4.730 1.00 0.00 H new ATOM 0 HD22 ASN A 72 -0.080 6.186 -4.991 1.00 0.00 H new ATOM 1123 N LYS A 73 -2.876 10.040 -5.201 1.00 0.00 N ATOM 1124 CA LYS A 73 -3.342 11.392 -4.944 1.00 0.00 C ATOM 1125 C LYS A 73 -4.434 11.751 -5.954 1.00 0.00 C ATOM 1126 O LYS A 73 -4.285 11.500 -7.149 1.00 0.00 O ATOM 1127 CB LYS A 73 -2.167 12.371 -4.934 1.00 0.00 C ATOM 1128 CG LYS A 73 -1.589 12.548 -6.340 1.00 0.00 C ATOM 1129 CD LYS A 73 -0.683 13.779 -6.409 1.00 0.00 C ATOM 1130 CE LYS A 73 0.781 13.395 -6.186 1.00 0.00 C ATOM 1131 NZ LYS A 73 1.661 14.568 -6.386 1.00 0.00 N ATOM 0 H LYS A 73 -1.864 9.947 -5.287 1.00 0.00 H new ATOM 0 HA LYS A 73 -3.790 11.459 -3.953 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -2.496 13.336 -4.548 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -1.391 12.006 -4.261 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -1.023 11.659 -6.619 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -2.400 12.648 -7.061 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -0.792 14.261 -7.380 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -0.991 14.505 -5.656 1.00 0.00 H new ATOM 0 HE2 LYS A 73 0.911 13.004 -5.177 1.00 0.00 H new ATOM 0 HE3 LYS A 73 1.063 12.599 -6.875 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 2.165 14.473 -7.291 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 1.086 15.435 -6.399 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 2.350 14.621 -5.609 1.00 0.00 H new