USER MOD reduce.3.24.130724 H: found=0, std=0, add=411, rem=0, adj=6 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= -0.0811 USER MOD Single : A 28 GLN : amide:sc= -5.32! C(o=-5.3!,f=-6.3!) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 LYS NZ :NH3+ 151:sc= -0.0498 (180deg=-0.324) USER MOD Single : A 32 MET CE :methyl -155:sc= -0.223 (180deg=-0.929) USER MOD Single : A 44 GLN : amide:sc= 0 X(o=0,f=-0.005) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 HIS : no HD1:sc= -8.53! C(o=-8.5!,f=-8.2!) USER MOD Single : A 53 GLN : amide:sc= -0.0139 X(o=-0.014,f=0) USER MOD Single : A 55 CYS SG : rot 180:sc= 0 USER MOD Single : A 58 THR OG1 : rot -167:sc= 0.81 USER MOD Single : A 63 GLN : amide:sc= 0 X(o=0,f=-0.22) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 MET CE :methyl 151:sc= -3.34! (180deg=-5.9!) USER MOD Single : A 70 HIS : no HD1:sc= -0.398 X(o=-0.4,f=-0.012) USER MOD Single : A 71 ASN : amide:sc= -0.446 X(o=-0.45,f=-0.07) USER MOD Single : A 72 ASN : amide:sc= -0.521! K(o=-0.52!,f=-1.1) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 326 N THR A 25 3.094 -5.652 -1.501 1.00 0.00 N ATOM 327 CA THR A 25 2.445 -6.270 -0.357 1.00 0.00 C ATOM 328 C THR A 25 1.817 -5.202 0.541 1.00 0.00 C ATOM 329 O THR A 25 2.221 -4.041 0.506 1.00 0.00 O ATOM 330 CB THR A 25 3.480 -7.136 0.363 1.00 0.00 C ATOM 331 OG1 THR A 25 2.754 -7.724 1.439 1.00 0.00 O ATOM 332 CG2 THR A 25 4.562 -6.303 1.054 1.00 0.00 C ATOM 0 HA THR A 25 1.622 -6.913 -0.669 1.00 0.00 H new ATOM 0 HB THR A 25 3.946 -7.814 -0.352 1.00 0.00 H new ATOM 0 HG1 THR A 25 3.350 -8.304 1.958 1.00 0.00 H new ATOM 0 HG21 THR A 25 5.271 -6.966 1.550 1.00 0.00 H new ATOM 0 HG22 THR A 25 5.086 -5.700 0.312 1.00 0.00 H new ATOM 0 HG23 THR A 25 4.100 -5.648 1.793 1.00 0.00 H new ATOM 340 N ALA A 26 0.838 -5.633 1.323 1.00 0.00 N ATOM 341 CA ALA A 26 0.150 -4.728 2.228 1.00 0.00 C ATOM 342 C ALA A 26 1.165 -3.770 2.854 1.00 0.00 C ATOM 343 O ALA A 26 0.994 -2.553 2.795 1.00 0.00 O ATOM 344 CB ALA A 26 -0.612 -5.539 3.279 1.00 0.00 C ATOM 0 H ALA A 26 0.505 -6.597 1.349 1.00 0.00 H new ATOM 0 HA ALA A 26 -0.581 -4.126 1.687 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -1.128 -4.861 3.958 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -1.341 -6.182 2.785 1.00 0.00 H new ATOM 0 HB3 ALA A 26 0.090 -6.153 3.844 1.00 0.00 H new ATOM 350 N GLU A 27 2.200 -4.355 3.439 1.00 0.00 N ATOM 351 CA GLU A 27 3.243 -3.568 4.075 1.00 0.00 C ATOM 352 C GLU A 27 3.577 -2.342 3.224 1.00 0.00 C ATOM 353 O GLU A 27 3.359 -1.208 3.650 1.00 0.00 O ATOM 354 CB GLU A 27 4.491 -4.416 4.329 1.00 0.00 C ATOM 355 CG GLU A 27 4.946 -4.300 5.785 1.00 0.00 C ATOM 356 CD GLU A 27 5.738 -5.537 6.212 1.00 0.00 C ATOM 357 OE1 GLU A 27 5.093 -6.596 6.372 1.00 0.00 O ATOM 358 OE2 GLU A 27 6.970 -5.397 6.370 1.00 0.00 O ATOM 0 H GLU A 27 2.339 -5.364 3.486 1.00 0.00 H new ATOM 0 HA GLU A 27 2.874 -3.225 5.041 1.00 0.00 H new ATOM 0 HB2 GLU A 27 4.281 -5.459 4.092 1.00 0.00 H new ATOM 0 HB3 GLU A 27 5.295 -4.094 3.666 1.00 0.00 H new ATOM 0 HG2 GLU A 27 5.562 -3.409 5.907 1.00 0.00 H new ATOM 0 HG3 GLU A 27 4.078 -4.178 6.433 1.00 0.00 H new ATOM 365 N GLN A 28 4.100 -2.610 2.037 1.00 0.00 N ATOM 366 CA GLN A 28 4.466 -1.542 1.122 1.00 0.00 C ATOM 367 C GLN A 28 3.306 -0.556 0.965 1.00 0.00 C ATOM 368 O GLN A 28 3.494 0.653 1.085 1.00 0.00 O ATOM 369 CB GLN A 28 4.894 -2.104 -0.235 1.00 0.00 C ATOM 370 CG GLN A 28 6.321 -2.654 -0.175 1.00 0.00 C ATOM 371 CD GLN A 28 6.987 -2.602 -1.551 1.00 0.00 C ATOM 372 OE1 GLN A 28 6.342 -2.453 -2.576 1.00 0.00 O ATOM 373 NE2 GLN A 28 8.310 -2.733 -1.518 1.00 0.00 N ATOM 0 H GLN A 28 4.279 -3.551 1.687 1.00 0.00 H new ATOM 0 HA GLN A 28 5.318 -1.007 1.542 1.00 0.00 H new ATOM 0 HB2 GLN A 28 4.208 -2.895 -0.538 1.00 0.00 H new ATOM 0 HB3 GLN A 28 4.833 -1.322 -0.992 1.00 0.00 H new ATOM 0 HG2 GLN A 28 6.908 -2.076 0.539 1.00 0.00 H new ATOM 0 HG3 GLN A 28 6.303 -3.682 0.186 1.00 0.00 H new ATOM 0 HE21 GLN A 28 8.788 -2.855 -0.625 1.00 0.00 H new ATOM 0 HE22 GLN A 28 8.846 -2.712 -2.385 1.00 0.00 H new ATOM 382 N LYS A 29 2.132 -1.111 0.699 1.00 0.00 N ATOM 383 CA LYS A 29 0.942 -0.296 0.525 1.00 0.00 C ATOM 384 C LYS A 29 0.741 0.577 1.765 1.00 0.00 C ATOM 385 O LYS A 29 0.557 1.788 1.653 1.00 0.00 O ATOM 386 CB LYS A 29 -0.264 -1.175 0.189 1.00 0.00 C ATOM 387 CG LYS A 29 -0.140 -1.763 -1.218 1.00 0.00 C ATOM 388 CD LYS A 29 0.193 -3.255 -1.161 1.00 0.00 C ATOM 389 CE LYS A 29 -0.788 -4.068 -2.010 1.00 0.00 C ATOM 390 NZ LYS A 29 -1.498 -5.061 -1.173 1.00 0.00 N ATOM 0 H LYS A 29 1.980 -2.115 0.600 1.00 0.00 H new ATOM 0 HA LYS A 29 1.062 0.378 -0.323 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -0.345 -1.981 0.918 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -1.179 -0.587 0.262 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -1.073 -1.616 -1.761 1.00 0.00 H new ATOM 0 HG3 LYS A 29 0.637 -1.234 -1.770 1.00 0.00 H new ATOM 0 HD2 LYS A 29 1.210 -3.418 -1.517 1.00 0.00 H new ATOM 0 HD3 LYS A 29 0.158 -3.600 -0.128 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -1.508 -3.401 -2.483 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -0.251 -4.576 -2.811 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -2.159 -5.604 -1.764 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -0.808 -5.708 -0.742 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -2.026 -4.569 -0.424 1.00 0.00 H new ATOM 404 N GLU A 30 0.782 -0.072 2.919 1.00 0.00 N ATOM 405 CA GLU A 30 0.606 0.630 4.179 1.00 0.00 C ATOM 406 C GLU A 30 1.711 1.672 4.365 1.00 0.00 C ATOM 407 O GLU A 30 1.430 2.857 4.535 1.00 0.00 O ATOM 408 CB GLU A 30 0.574 -0.350 5.353 1.00 0.00 C ATOM 409 CG GLU A 30 -0.603 -1.320 5.226 1.00 0.00 C ATOM 410 CD GLU A 30 -0.821 -2.092 6.529 1.00 0.00 C ATOM 411 OE1 GLU A 30 -0.139 -3.126 6.696 1.00 0.00 O ATOM 412 OE2 GLU A 30 -1.664 -1.631 7.328 1.00 0.00 O ATOM 0 H GLU A 30 0.935 -1.077 3.008 1.00 0.00 H new ATOM 0 HA GLU A 30 -0.353 1.147 4.153 1.00 0.00 H new ATOM 0 HB2 GLU A 30 1.509 -0.910 5.390 1.00 0.00 H new ATOM 0 HB3 GLU A 30 0.496 0.202 6.290 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -1.508 -0.768 4.971 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -0.416 -2.020 4.412 1.00 0.00 H new ATOM 419 N LYS A 31 2.946 1.192 4.326 1.00 0.00 N ATOM 420 CA LYS A 31 4.094 2.067 4.488 1.00 0.00 C ATOM 421 C LYS A 31 3.950 3.270 3.554 1.00 0.00 C ATOM 422 O LYS A 31 4.027 4.415 3.995 1.00 0.00 O ATOM 423 CB LYS A 31 5.395 1.286 4.288 1.00 0.00 C ATOM 424 CG LYS A 31 5.877 0.676 5.606 1.00 0.00 C ATOM 425 CD LYS A 31 5.842 -0.852 5.549 1.00 0.00 C ATOM 426 CE LYS A 31 7.257 -1.433 5.533 1.00 0.00 C ATOM 427 NZ LYS A 31 7.611 -1.972 6.865 1.00 0.00 N ATOM 0 H LYS A 31 3.176 0.208 4.185 1.00 0.00 H new ATOM 0 HA LYS A 31 4.135 2.456 5.505 1.00 0.00 H new ATOM 0 HB2 LYS A 31 5.240 0.496 3.553 1.00 0.00 H new ATOM 0 HB3 LYS A 31 6.163 1.948 3.887 1.00 0.00 H new ATOM 0 HG2 LYS A 31 6.892 1.012 5.816 1.00 0.00 H new ATOM 0 HG3 LYS A 31 5.249 1.027 6.425 1.00 0.00 H new ATOM 0 HD2 LYS A 31 5.296 -1.239 6.409 1.00 0.00 H new ATOM 0 HD3 LYS A 31 5.303 -1.174 4.658 1.00 0.00 H new ATOM 0 HE2 LYS A 31 7.324 -2.223 4.785 1.00 0.00 H new ATOM 0 HE3 LYS A 31 7.970 -0.661 5.245 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 8.289 -2.753 6.755 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 8.040 -1.220 7.441 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 6.753 -2.322 7.337 1.00 0.00 H new ATOM 441 N MET A 32 3.742 2.968 2.281 1.00 0.00 N ATOM 442 CA MET A 32 3.586 4.010 1.280 1.00 0.00 C ATOM 443 C MET A 32 2.407 4.924 1.621 1.00 0.00 C ATOM 444 O MET A 32 2.535 6.147 1.587 1.00 0.00 O ATOM 445 CB MET A 32 3.358 3.372 -0.091 1.00 0.00 C ATOM 446 CG MET A 32 4.657 2.782 -0.644 1.00 0.00 C ATOM 447 SD MET A 32 4.696 2.950 -2.421 1.00 0.00 S ATOM 448 CE MET A 32 4.205 1.302 -2.899 1.00 0.00 C ATOM 0 H MET A 32 3.678 2.016 1.919 1.00 0.00 H new ATOM 0 HA MET A 32 4.495 4.611 1.263 1.00 0.00 H new ATOM 0 HB2 MET A 32 2.604 2.589 -0.011 1.00 0.00 H new ATOM 0 HB3 MET A 32 2.970 4.119 -0.784 1.00 0.00 H new ATOM 0 HG2 MET A 32 5.514 3.291 -0.203 1.00 0.00 H new ATOM 0 HG3 MET A 32 4.735 1.730 -0.368 1.00 0.00 H new ATOM 0 HE1 MET A 32 4.587 1.083 -3.896 1.00 0.00 H new ATOM 0 HE2 MET A 32 4.610 0.581 -2.189 1.00 0.00 H new ATOM 0 HE3 MET A 32 3.117 1.234 -2.904 1.00 0.00 H new ATOM 458 N LEU A 33 1.285 4.296 1.940 1.00 0.00 N ATOM 459 CA LEU A 33 0.084 5.037 2.286 1.00 0.00 C ATOM 460 C LEU A 33 0.447 6.163 3.256 1.00 0.00 C ATOM 461 O LEU A 33 -0.006 7.295 3.096 1.00 0.00 O ATOM 462 CB LEU A 33 -0.995 4.091 2.817 1.00 0.00 C ATOM 463 CG LEU A 33 -2.100 3.712 1.828 1.00 0.00 C ATOM 464 CD1 LEU A 33 -3.177 4.796 1.768 1.00 0.00 C ATOM 465 CD2 LEU A 33 -1.518 3.405 0.447 1.00 0.00 C ATOM 0 H LEU A 33 1.182 3.282 1.966 1.00 0.00 H new ATOM 0 HA LEU A 33 -0.344 5.505 1.399 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -0.512 3.176 3.159 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -1.458 4.553 3.689 1.00 0.00 H new ATOM 0 HG LEU A 33 -2.580 2.801 2.185 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -3.950 4.502 1.058 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -3.621 4.923 2.755 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -2.729 5.737 1.448 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -2.324 3.139 -0.237 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -0.997 4.284 0.068 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -0.818 2.573 0.524 1.00 0.00 H new ATOM 477 N ALA A 34 1.261 5.812 4.241 1.00 0.00 N ATOM 478 CA ALA A 34 1.690 6.779 5.238 1.00 0.00 C ATOM 479 C ALA A 34 2.834 7.619 4.667 1.00 0.00 C ATOM 480 O ALA A 34 2.743 8.845 4.613 1.00 0.00 O ATOM 481 CB ALA A 34 2.087 6.048 6.521 1.00 0.00 C ATOM 0 H ALA A 34 1.635 4.872 4.370 1.00 0.00 H new ATOM 0 HA ALA A 34 0.876 7.458 5.490 1.00 0.00 H new ATOM 0 HB1 ALA A 34 2.409 6.773 7.268 1.00 0.00 H new ATOM 0 HB2 ALA A 34 1.231 5.490 6.901 1.00 0.00 H new ATOM 0 HB3 ALA A 34 2.904 5.359 6.309 1.00 0.00 H new ATOM 487 N PHE A 35 3.886 6.927 4.256 1.00 0.00 N ATOM 488 CA PHE A 35 5.048 7.593 3.692 1.00 0.00 C ATOM 489 C PHE A 35 4.629 8.774 2.814 1.00 0.00 C ATOM 490 O PHE A 35 5.059 9.904 3.041 1.00 0.00 O ATOM 491 CB PHE A 35 5.778 6.564 2.828 1.00 0.00 C ATOM 492 CG PHE A 35 7.231 6.931 2.518 1.00 0.00 C ATOM 493 CD1 PHE A 35 8.014 7.482 3.483 1.00 0.00 C ATOM 494 CD2 PHE A 35 7.739 6.706 1.276 1.00 0.00 C ATOM 495 CE1 PHE A 35 9.362 7.823 3.196 1.00 0.00 C ATOM 496 CE2 PHE A 35 9.087 7.046 0.989 1.00 0.00 C ATOM 497 CZ PHE A 35 9.870 7.598 1.954 1.00 0.00 C ATOM 0 H PHE A 35 3.958 5.911 4.302 1.00 0.00 H new ATOM 0 HA PHE A 35 5.683 7.976 4.491 1.00 0.00 H new ATOM 0 HB2 PHE A 35 5.758 5.599 3.335 1.00 0.00 H new ATOM 0 HB3 PHE A 35 5.236 6.443 1.890 1.00 0.00 H new ATOM 0 HD1 PHE A 35 7.610 7.660 4.469 1.00 0.00 H new ATOM 0 HD2 PHE A 35 7.117 6.269 0.509 1.00 0.00 H new ATOM 0 HE1 PHE A 35 9.984 8.261 3.963 1.00 0.00 H new ATOM 0 HE2 PHE A 35 9.491 6.866 0.004 1.00 0.00 H new ATOM 0 HZ PHE A 35 10.895 7.858 1.735 1.00 0.00 H new ATOM 507 N ALA A 36 3.795 8.472 1.830 1.00 0.00 N ATOM 508 CA ALA A 36 3.313 9.495 0.917 1.00 0.00 C ATOM 509 C ALA A 36 2.608 10.594 1.715 1.00 0.00 C ATOM 510 O ALA A 36 2.857 11.779 1.500 1.00 0.00 O ATOM 511 CB ALA A 36 2.398 8.855 -0.129 1.00 0.00 C ATOM 0 H ALA A 36 3.441 7.534 1.645 1.00 0.00 H new ATOM 0 HA ALA A 36 4.144 9.957 0.384 1.00 0.00 H new ATOM 0 HB1 ALA A 36 2.036 9.622 -0.814 1.00 0.00 H new ATOM 0 HB2 ALA A 36 2.955 8.103 -0.688 1.00 0.00 H new ATOM 0 HB3 ALA A 36 1.550 8.384 0.369 1.00 0.00 H new ATOM 517 N GLU A 37 1.741 10.161 2.619 1.00 0.00 N ATOM 518 CA GLU A 37 0.999 11.093 3.450 1.00 0.00 C ATOM 519 C GLU A 37 1.955 12.069 4.138 1.00 0.00 C ATOM 520 O GLU A 37 1.599 13.219 4.390 1.00 0.00 O ATOM 521 CB GLU A 37 0.141 10.350 4.476 1.00 0.00 C ATOM 522 CG GLU A 37 -1.330 10.339 4.055 1.00 0.00 C ATOM 523 CD GLU A 37 -1.973 11.711 4.272 1.00 0.00 C ATOM 524 OE1 GLU A 37 -1.668 12.614 3.463 1.00 0.00 O ATOM 525 OE2 GLU A 37 -2.753 11.826 5.241 1.00 0.00 O ATOM 0 H GLU A 37 1.536 9.177 2.794 1.00 0.00 H new ATOM 0 HA GLU A 37 0.327 11.665 2.810 1.00 0.00 H new ATOM 0 HB2 GLU A 37 0.500 9.326 4.583 1.00 0.00 H new ATOM 0 HB3 GLU A 37 0.240 10.826 5.452 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -1.409 10.058 3.005 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -1.870 9.585 4.628 1.00 0.00 H new ATOM 532 N ARG A 38 3.150 11.574 4.424 1.00 0.00 N ATOM 533 CA ARG A 38 4.160 12.387 5.079 1.00 0.00 C ATOM 534 C ARG A 38 4.797 13.351 4.076 1.00 0.00 C ATOM 535 O ARG A 38 4.906 14.547 4.342 1.00 0.00 O ATOM 536 CB ARG A 38 5.252 11.515 5.701 1.00 0.00 C ATOM 537 CG ARG A 38 4.680 10.179 6.180 1.00 0.00 C ATOM 538 CD ARG A 38 5.462 9.648 7.383 1.00 0.00 C ATOM 539 NE ARG A 38 6.667 8.923 6.923 1.00 0.00 N ATOM 540 CZ ARG A 38 7.663 8.532 7.731 1.00 0.00 C ATOM 541 NH1 ARG A 38 7.602 8.793 9.044 1.00 0.00 N ATOM 542 NH2 ARG A 38 8.718 7.880 7.226 1.00 0.00 N ATOM 0 H ARG A 38 3.442 10.619 4.214 1.00 0.00 H new ATOM 0 HA ARG A 38 3.668 12.952 5.871 1.00 0.00 H new ATOM 0 HB2 ARG A 38 6.040 11.336 4.970 1.00 0.00 H new ATOM 0 HB3 ARG A 38 5.709 12.041 6.539 1.00 0.00 H new ATOM 0 HG2 ARG A 38 3.631 10.304 6.450 1.00 0.00 H new ATOM 0 HG3 ARG A 38 4.716 9.452 5.369 1.00 0.00 H new ATOM 0 HD2 ARG A 38 5.750 10.474 8.033 1.00 0.00 H new ATOM 0 HD3 ARG A 38 4.831 8.984 7.973 1.00 0.00 H new ATOM 0 HE ARG A 38 6.745 8.707 5.929 1.00 0.00 H new ATOM 0 HH11 ARG A 38 6.798 9.289 9.429 1.00 0.00 H new ATOM 0 HH12 ARG A 38 8.360 8.496 9.659 1.00 0.00 H new ATOM 0 HH21 ARG A 38 8.764 7.681 6.227 1.00 0.00 H new ATOM 0 HH22 ARG A 38 9.476 7.583 7.841 1.00 0.00 H new ATOM 556 N LEU A 39 5.202 12.795 2.944 1.00 0.00 N ATOM 557 CA LEU A 39 5.826 13.590 1.900 1.00 0.00 C ATOM 558 C LEU A 39 4.752 14.401 1.172 1.00 0.00 C ATOM 559 O LEU A 39 5.061 15.184 0.275 1.00 0.00 O ATOM 560 CB LEU A 39 6.658 12.701 0.974 1.00 0.00 C ATOM 561 CG LEU A 39 7.396 11.540 1.643 1.00 0.00 C ATOM 562 CD1 LEU A 39 7.109 10.220 0.925 1.00 0.00 C ATOM 563 CD2 LEU A 39 8.896 11.826 1.738 1.00 0.00 C ATOM 0 H LEU A 39 5.110 11.803 2.727 1.00 0.00 H new ATOM 0 HA LEU A 39 6.527 14.304 2.333 1.00 0.00 H new ATOM 0 HB2 LEU A 39 6.000 12.293 0.207 1.00 0.00 H new ATOM 0 HB3 LEU A 39 7.391 13.326 0.465 1.00 0.00 H new ATOM 0 HG LEU A 39 7.022 11.440 2.662 1.00 0.00 H new ATOM 0 HD11 LEU A 39 7.646 9.412 1.421 1.00 0.00 H new ATOM 0 HD12 LEU A 39 6.039 10.016 0.953 1.00 0.00 H new ATOM 0 HD13 LEU A 39 7.437 10.291 -0.112 1.00 0.00 H new ATOM 0 HD21 LEU A 39 9.397 10.985 2.217 1.00 0.00 H new ATOM 0 HD22 LEU A 39 9.303 11.968 0.737 1.00 0.00 H new ATOM 0 HD23 LEU A 39 9.058 12.729 2.327 1.00 0.00 H new ATOM 575 N GLY A 40 3.511 14.186 1.586 1.00 0.00 N ATOM 576 CA GLY A 40 2.390 14.887 0.985 1.00 0.00 C ATOM 577 C GLY A 40 2.137 14.396 -0.442 1.00 0.00 C ATOM 578 O GLY A 40 1.603 15.132 -1.270 1.00 0.00 O ATOM 0 H GLY A 40 3.258 13.536 2.330 1.00 0.00 H new ATOM 0 HA2 GLY A 40 1.496 14.736 1.589 1.00 0.00 H new ATOM 0 HA3 GLY A 40 2.590 15.958 0.975 1.00 0.00 H new ATOM 582 N TRP A 41 2.533 13.155 -0.685 1.00 0.00 N ATOM 583 CA TRP A 41 2.356 12.556 -1.997 1.00 0.00 C ATOM 584 C TRP A 41 3.263 13.298 -2.981 1.00 0.00 C ATOM 585 O TRP A 41 2.954 13.390 -4.168 1.00 0.00 O ATOM 586 CB TRP A 41 0.884 12.573 -2.413 1.00 0.00 C ATOM 587 CG TRP A 41 -0.029 11.746 -1.505 1.00 0.00 C ATOM 588 CD1 TRP A 41 -0.699 12.152 -0.419 1.00 0.00 C ATOM 589 CD2 TRP A 41 -0.346 10.345 -1.651 1.00 0.00 C ATOM 590 NE1 TRP A 41 -1.422 11.120 0.145 1.00 0.00 N ATOM 591 CE2 TRP A 41 -1.200 9.987 -0.629 1.00 0.00 C ATOM 592 CE3 TRP A 41 0.076 9.412 -2.615 1.00 0.00 C ATOM 593 CZ2 TRP A 41 -1.707 8.691 -0.471 1.00 0.00 C ATOM 594 CZ3 TRP A 41 -0.439 8.122 -2.444 1.00 0.00 C ATOM 595 CH2 TRP A 41 -1.300 7.745 -1.420 1.00 0.00 C ATOM 0 H TRP A 41 2.976 12.548 0.005 1.00 0.00 H new ATOM 0 HA TRP A 41 2.643 11.504 -1.983 1.00 0.00 H new ATOM 0 HB2 TRP A 41 0.532 13.604 -2.423 1.00 0.00 H new ATOM 0 HB3 TRP A 41 0.801 12.198 -3.433 1.00 0.00 H new ATOM 0 HD1 TRP A 41 -0.677 13.160 -0.033 1.00 0.00 H new ATOM 0 HE1 TRP A 41 -2.010 11.178 0.976 1.00 0.00 H new ATOM 0 HE3 TRP A 41 0.744 9.670 -3.423 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 -2.375 8.435 0.338 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 -0.147 7.366 -3.158 1.00 0.00 H new ATOM 0 HH2 TRP A 41 -1.654 6.727 -1.356 1.00 0.00 H new ATOM 606 N ARG A 42 4.366 13.807 -2.451 1.00 0.00 N ATOM 607 CA ARG A 42 5.320 14.537 -3.268 1.00 0.00 C ATOM 608 C ARG A 42 6.745 14.287 -2.770 1.00 0.00 C ATOM 609 O ARG A 42 7.016 14.388 -1.574 1.00 0.00 O ATOM 610 CB ARG A 42 5.034 16.040 -3.239 1.00 0.00 C ATOM 611 CG ARG A 42 4.527 16.527 -4.598 1.00 0.00 C ATOM 612 CD ARG A 42 3.735 17.828 -4.454 1.00 0.00 C ATOM 613 NE ARG A 42 3.162 18.220 -5.761 1.00 0.00 N ATOM 614 CZ ARG A 42 3.827 18.911 -6.696 1.00 0.00 C ATOM 615 NH1 ARG A 42 5.092 19.291 -6.475 1.00 0.00 N ATOM 616 NH2 ARG A 42 3.226 19.222 -7.853 1.00 0.00 N ATOM 0 H ARG A 42 4.620 13.728 -1.466 1.00 0.00 H new ATOM 0 HA ARG A 42 5.221 14.179 -4.293 1.00 0.00 H new ATOM 0 HB2 ARG A 42 4.292 16.258 -2.471 1.00 0.00 H new ATOM 0 HB3 ARG A 42 5.941 16.581 -2.970 1.00 0.00 H new ATOM 0 HG2 ARG A 42 5.371 16.683 -5.270 1.00 0.00 H new ATOM 0 HG3 ARG A 42 3.897 15.762 -5.050 1.00 0.00 H new ATOM 0 HD2 ARG A 42 2.938 17.699 -3.722 1.00 0.00 H new ATOM 0 HD3 ARG A 42 4.385 18.619 -4.081 1.00 0.00 H new ATOM 0 HE ARG A 42 2.200 17.947 -5.962 1.00 0.00 H new ATOM 0 HH11 ARG A 42 5.549 19.054 -5.595 1.00 0.00 H new ATOM 0 HH12 ARG A 42 5.598 19.817 -7.187 1.00 0.00 H new ATOM 0 HH21 ARG A 42 2.263 18.932 -8.021 1.00 0.00 H new ATOM 0 HH22 ARG A 42 3.732 19.748 -8.565 1.00 0.00 H new ATOM 630 N ILE A 43 7.620 13.966 -3.712 1.00 0.00 N ATOM 631 CA ILE A 43 9.010 13.701 -3.385 1.00 0.00 C ATOM 632 C ILE A 43 9.871 14.882 -3.838 1.00 0.00 C ATOM 633 O ILE A 43 10.216 14.987 -5.014 1.00 0.00 O ATOM 634 CB ILE A 43 9.452 12.358 -3.969 1.00 0.00 C ATOM 635 CG1 ILE A 43 8.715 11.198 -3.296 1.00 0.00 C ATOM 636 CG2 ILE A 43 10.971 12.197 -3.888 1.00 0.00 C ATOM 637 CD1 ILE A 43 8.975 9.882 -4.033 1.00 0.00 C ATOM 0 H ILE A 43 7.392 13.884 -4.703 1.00 0.00 H new ATOM 0 HA ILE A 43 9.136 13.610 -2.306 1.00 0.00 H new ATOM 0 HB ILE A 43 9.183 12.340 -5.025 1.00 0.00 H new ATOM 0 HG12 ILE A 43 9.040 11.109 -2.259 1.00 0.00 H new ATOM 0 HG13 ILE A 43 7.645 11.404 -3.278 1.00 0.00 H new ATOM 0 HG21 ILE A 43 11.258 11.234 -4.310 1.00 0.00 H new ATOM 0 HG22 ILE A 43 11.452 12.997 -4.450 1.00 0.00 H new ATOM 0 HG23 ILE A 43 11.287 12.245 -2.846 1.00 0.00 H new ATOM 0 HD11 ILE A 43 8.440 9.074 -3.534 1.00 0.00 H new ATOM 0 HD12 ILE A 43 8.627 9.967 -5.063 1.00 0.00 H new ATOM 0 HD13 ILE A 43 10.044 9.667 -4.028 1.00 0.00 H new ATOM 649 N GLN A 44 10.192 15.740 -2.881 1.00 0.00 N ATOM 650 CA GLN A 44 11.005 16.910 -3.167 1.00 0.00 C ATOM 651 C GLN A 44 12.486 16.591 -2.955 1.00 0.00 C ATOM 652 O GLN A 44 12.826 15.583 -2.337 1.00 0.00 O ATOM 653 CB GLN A 44 10.573 18.101 -2.311 1.00 0.00 C ATOM 654 CG GLN A 44 9.098 18.436 -2.541 1.00 0.00 C ATOM 655 CD GLN A 44 8.834 19.928 -2.325 1.00 0.00 C ATOM 656 OE1 GLN A 44 9.311 20.781 -3.054 1.00 0.00 O ATOM 657 NE2 GLN A 44 8.049 20.192 -1.284 1.00 0.00 N ATOM 0 H GLN A 44 9.904 15.648 -1.907 1.00 0.00 H new ATOM 0 HA GLN A 44 10.858 17.184 -4.212 1.00 0.00 H new ATOM 0 HB2 GLN A 44 10.738 17.875 -1.258 1.00 0.00 H new ATOM 0 HB3 GLN A 44 11.188 18.968 -2.551 1.00 0.00 H new ATOM 0 HG2 GLN A 44 8.811 18.155 -3.555 1.00 0.00 H new ATOM 0 HG3 GLN A 44 8.478 17.851 -1.861 1.00 0.00 H new ATOM 0 HE21 GLN A 44 7.683 19.429 -0.715 1.00 0.00 H new ATOM 0 HE22 GLN A 44 7.813 21.158 -1.055 1.00 0.00 H new ATOM 666 N LYS A 45 13.329 17.468 -3.480 1.00 0.00 N ATOM 667 CA LYS A 45 14.766 17.293 -3.356 1.00 0.00 C ATOM 668 C LYS A 45 15.107 16.922 -1.912 1.00 0.00 C ATOM 669 O LYS A 45 16.004 16.116 -1.669 1.00 0.00 O ATOM 670 CB LYS A 45 15.503 18.534 -3.863 1.00 0.00 C ATOM 671 CG LYS A 45 17.019 18.356 -3.749 1.00 0.00 C ATOM 672 CD LYS A 45 17.695 19.667 -3.344 1.00 0.00 C ATOM 673 CE LYS A 45 17.649 19.863 -1.827 1.00 0.00 C ATOM 674 NZ LYS A 45 18.860 19.292 -1.195 1.00 0.00 N ATOM 0 H LYS A 45 13.044 18.303 -3.993 1.00 0.00 H new ATOM 0 HA LYS A 45 15.105 16.470 -3.986 1.00 0.00 H new ATOM 0 HB2 LYS A 45 15.232 18.723 -4.902 1.00 0.00 H new ATOM 0 HB3 LYS A 45 15.191 19.406 -3.289 1.00 0.00 H new ATOM 0 HG2 LYS A 45 17.244 17.584 -3.013 1.00 0.00 H new ATOM 0 HG3 LYS A 45 17.422 18.014 -4.703 1.00 0.00 H new ATOM 0 HD2 LYS A 45 18.731 19.666 -3.683 1.00 0.00 H new ATOM 0 HD3 LYS A 45 17.199 20.503 -3.837 1.00 0.00 H new ATOM 0 HE2 LYS A 45 17.576 20.925 -1.593 1.00 0.00 H new ATOM 0 HE3 LYS A 45 16.758 19.385 -1.419 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 18.814 19.433 -0.166 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 18.913 18.274 -1.403 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 19.705 19.767 -1.572 1.00 0.00 H new ATOM 688 N HIS A 46 14.374 17.528 -0.990 1.00 0.00 N ATOM 689 CA HIS A 46 14.587 17.271 0.425 1.00 0.00 C ATOM 690 C HIS A 46 14.283 15.804 0.732 1.00 0.00 C ATOM 691 O HIS A 46 15.000 15.166 1.502 1.00 0.00 O ATOM 692 CB HIS A 46 13.769 18.238 1.282 1.00 0.00 C ATOM 693 CG HIS A 46 12.413 17.707 1.682 1.00 0.00 C ATOM 694 ND1 HIS A 46 11.228 18.319 1.309 1.00 0.00 N ATOM 695 CD2 HIS A 46 12.066 16.617 2.425 1.00 0.00 C ATOM 696 CE1 HIS A 46 10.221 17.620 1.811 1.00 0.00 C ATOM 697 NE2 HIS A 46 10.742 16.566 2.502 1.00 0.00 N ATOM 0 H HIS A 46 13.631 18.197 -1.195 1.00 0.00 H new ATOM 0 HA HIS A 46 15.632 17.449 0.677 1.00 0.00 H new ATOM 0 HB2 HIS A 46 14.335 18.477 2.183 1.00 0.00 H new ATOM 0 HB3 HIS A 46 13.635 19.170 0.733 1.00 0.00 H new ATOM 0 HD2 HIS A 46 12.752 15.915 2.874 1.00 0.00 H new ATOM 0 HE1 HIS A 46 9.171 17.845 1.694 1.00 0.00 H new ATOM 0 HE2 HIS A 46 10.203 15.855 2.997 1.00 0.00 H new ATOM 705 N ASP A 47 13.220 15.311 0.113 1.00 0.00 N ATOM 706 CA ASP A 47 12.812 13.930 0.311 1.00 0.00 C ATOM 707 C ASP A 47 13.696 13.015 -0.539 1.00 0.00 C ATOM 708 O ASP A 47 13.194 12.237 -1.348 1.00 0.00 O ATOM 709 CB ASP A 47 11.360 13.718 -0.120 1.00 0.00 C ATOM 710 CG ASP A 47 10.407 14.863 0.230 1.00 0.00 C ATOM 711 OD1 ASP A 47 10.763 16.016 -0.094 1.00 0.00 O ATOM 712 OD2 ASP A 47 9.345 14.558 0.814 1.00 0.00 O ATOM 0 H ASP A 47 12.629 15.843 -0.526 1.00 0.00 H new ATOM 0 HA ASP A 47 12.911 13.698 1.371 1.00 0.00 H new ATOM 0 HB2 ASP A 47 11.336 13.562 -1.199 1.00 0.00 H new ATOM 0 HB3 ASP A 47 10.990 12.803 0.342 1.00 0.00 H new ATOM 717 N ASP A 48 14.998 13.140 -0.326 1.00 0.00 N ATOM 718 CA ASP A 48 15.957 12.333 -1.062 1.00 0.00 C ATOM 719 C ASP A 48 16.319 11.098 -0.236 1.00 0.00 C ATOM 720 O ASP A 48 16.027 9.972 -0.636 1.00 0.00 O ATOM 721 CB ASP A 48 17.244 13.116 -1.330 1.00 0.00 C ATOM 722 CG ASP A 48 18.271 12.393 -2.204 1.00 0.00 C ATOM 723 OD1 ASP A 48 17.909 11.321 -2.736 1.00 0.00 O ATOM 724 OD2 ASP A 48 19.394 12.928 -2.320 1.00 0.00 O ATOM 0 H ASP A 48 15.411 13.787 0.345 1.00 0.00 H new ATOM 0 HA ASP A 48 15.502 12.050 -2.011 1.00 0.00 H new ATOM 0 HB2 ASP A 48 16.984 14.061 -1.807 1.00 0.00 H new ATOM 0 HB3 ASP A 48 17.709 13.359 -0.375 1.00 0.00 H new ATOM 729 N VAL A 49 16.950 11.349 0.902 1.00 0.00 N ATOM 730 CA VAL A 49 17.354 10.271 1.788 1.00 0.00 C ATOM 731 C VAL A 49 16.111 9.526 2.278 1.00 0.00 C ATOM 732 O VAL A 49 16.041 8.302 2.186 1.00 0.00 O ATOM 733 CB VAL A 49 18.209 10.825 2.929 1.00 0.00 C ATOM 734 CG1 VAL A 49 18.669 9.704 3.863 1.00 0.00 C ATOM 735 CG2 VAL A 49 19.403 11.613 2.388 1.00 0.00 C ATOM 0 H VAL A 49 17.191 12.284 1.231 1.00 0.00 H new ATOM 0 HA VAL A 49 17.975 9.550 1.255 1.00 0.00 H new ATOM 0 HB VAL A 49 17.591 11.511 3.508 1.00 0.00 H new ATOM 0 HG11 VAL A 49 19.275 10.125 4.665 1.00 0.00 H new ATOM 0 HG12 VAL A 49 17.798 9.205 4.289 1.00 0.00 H new ATOM 0 HG13 VAL A 49 19.262 8.982 3.301 1.00 0.00 H new ATOM 0 HG21 VAL A 49 19.994 11.996 3.220 1.00 0.00 H new ATOM 0 HG22 VAL A 49 20.022 10.959 1.774 1.00 0.00 H new ATOM 0 HG23 VAL A 49 19.045 12.447 1.784 1.00 0.00 H new ATOM 745 N ALA A 50 15.162 10.297 2.788 1.00 0.00 N ATOM 746 CA ALA A 50 13.925 9.725 3.293 1.00 0.00 C ATOM 747 C ALA A 50 13.423 8.662 2.315 1.00 0.00 C ATOM 748 O ALA A 50 12.855 7.652 2.727 1.00 0.00 O ATOM 749 CB ALA A 50 12.902 10.840 3.519 1.00 0.00 C ATOM 0 H ALA A 50 15.224 11.312 2.862 1.00 0.00 H new ATOM 0 HA ALA A 50 14.092 9.236 4.253 1.00 0.00 H new ATOM 0 HB1 ALA A 50 11.974 10.411 3.898 1.00 0.00 H new ATOM 0 HB2 ALA A 50 13.295 11.553 4.244 1.00 0.00 H new ATOM 0 HB3 ALA A 50 12.707 11.351 2.576 1.00 0.00 H new ATOM 755 N VAL A 51 13.650 8.925 1.036 1.00 0.00 N ATOM 756 CA VAL A 51 13.227 8.004 -0.005 1.00 0.00 C ATOM 757 C VAL A 51 14.158 6.790 -0.013 1.00 0.00 C ATOM 758 O VAL A 51 13.697 5.649 -0.015 1.00 0.00 O ATOM 759 CB VAL A 51 13.174 8.726 -1.353 1.00 0.00 C ATOM 760 CG1 VAL A 51 13.158 7.725 -2.510 1.00 0.00 C ATOM 761 CG2 VAL A 51 11.968 9.665 -1.424 1.00 0.00 C ATOM 0 H VAL A 51 14.122 9.763 0.697 1.00 0.00 H new ATOM 0 HA VAL A 51 12.219 7.640 0.193 1.00 0.00 H new ATOM 0 HB VAL A 51 14.076 9.331 -1.446 1.00 0.00 H new ATOM 0 HG11 VAL A 51 13.120 8.264 -3.457 1.00 0.00 H new ATOM 0 HG12 VAL A 51 14.060 7.115 -2.476 1.00 0.00 H new ATOM 0 HG13 VAL A 51 12.282 7.082 -2.423 1.00 0.00 H new ATOM 0 HG21 VAL A 51 11.953 10.166 -2.392 1.00 0.00 H new ATOM 0 HG22 VAL A 51 11.051 9.089 -1.299 1.00 0.00 H new ATOM 0 HG23 VAL A 51 12.039 10.410 -0.631 1.00 0.00 H new ATOM 771 N GLU A 52 15.452 7.076 -0.019 1.00 0.00 N ATOM 772 CA GLU A 52 16.452 6.022 -0.028 1.00 0.00 C ATOM 773 C GLU A 52 16.322 5.157 1.228 1.00 0.00 C ATOM 774 O GLU A 52 16.560 3.951 1.182 1.00 0.00 O ATOM 775 CB GLU A 52 17.861 6.604 -0.150 1.00 0.00 C ATOM 776 CG GLU A 52 18.548 6.668 1.216 1.00 0.00 C ATOM 777 CD GLU A 52 19.115 5.303 1.610 1.00 0.00 C ATOM 778 OE1 GLU A 52 20.120 4.904 0.984 1.00 0.00 O ATOM 779 OE2 GLU A 52 18.529 4.689 2.528 1.00 0.00 O ATOM 0 H GLU A 52 15.831 8.023 -0.018 1.00 0.00 H new ATOM 0 HA GLU A 52 16.279 5.391 -0.900 1.00 0.00 H new ATOM 0 HB2 GLU A 52 18.453 5.992 -0.831 1.00 0.00 H new ATOM 0 HB3 GLU A 52 17.809 7.603 -0.582 1.00 0.00 H new ATOM 0 HG2 GLU A 52 19.351 7.405 1.189 1.00 0.00 H new ATOM 0 HG3 GLU A 52 17.835 7.001 1.970 1.00 0.00 H new ATOM 786 N GLN A 53 15.946 5.808 2.319 1.00 0.00 N ATOM 787 CA GLN A 53 15.782 5.113 3.585 1.00 0.00 C ATOM 788 C GLN A 53 14.558 4.198 3.534 1.00 0.00 C ATOM 789 O GLN A 53 14.607 3.062 4.003 1.00 0.00 O ATOM 790 CB GLN A 53 15.677 6.105 4.745 1.00 0.00 C ATOM 791 CG GLN A 53 16.991 6.179 5.525 1.00 0.00 C ATOM 792 CD GLN A 53 16.751 5.990 7.024 1.00 0.00 C ATOM 793 OE1 GLN A 53 16.303 4.951 7.481 1.00 0.00 O ATOM 794 NE2 GLN A 53 17.072 7.049 7.761 1.00 0.00 N ATOM 0 H GLN A 53 15.750 6.808 2.353 1.00 0.00 H new ATOM 0 HA GLN A 53 16.665 4.497 3.756 1.00 0.00 H new ATOM 0 HB2 GLN A 53 15.422 7.093 4.361 1.00 0.00 H new ATOM 0 HB3 GLN A 53 14.870 5.804 5.413 1.00 0.00 H new ATOM 0 HG2 GLN A 53 17.676 5.412 5.163 1.00 0.00 H new ATOM 0 HG3 GLN A 53 17.469 7.143 5.348 1.00 0.00 H new ATOM 0 HE21 GLN A 53 17.442 7.888 7.314 1.00 0.00 H new ATOM 0 HE22 GLN A 53 16.948 7.023 8.773 1.00 0.00 H new ATOM 803 N PHE A 54 13.487 4.726 2.959 1.00 0.00 N ATOM 804 CA PHE A 54 12.252 3.971 2.841 1.00 0.00 C ATOM 805 C PHE A 54 12.445 2.740 1.952 1.00 0.00 C ATOM 806 O PHE A 54 12.125 1.623 2.354 1.00 0.00 O ATOM 807 CB PHE A 54 11.221 4.897 2.192 1.00 0.00 C ATOM 808 CG PHE A 54 9.799 4.333 2.178 1.00 0.00 C ATOM 809 CD1 PHE A 54 9.088 4.252 3.335 1.00 0.00 C ATOM 810 CD2 PHE A 54 9.245 3.913 1.009 1.00 0.00 C ATOM 811 CE1 PHE A 54 7.768 3.729 3.322 1.00 0.00 C ATOM 812 CE2 PHE A 54 7.925 3.390 0.997 1.00 0.00 C ATOM 813 CZ PHE A 54 7.215 3.309 2.153 1.00 0.00 C ATOM 0 H PHE A 54 13.450 5.668 2.570 1.00 0.00 H new ATOM 0 HA PHE A 54 11.930 3.629 3.825 1.00 0.00 H new ATOM 0 HB2 PHE A 54 11.218 5.849 2.723 1.00 0.00 H new ATOM 0 HB3 PHE A 54 11.529 5.105 1.167 1.00 0.00 H new ATOM 0 HD1 PHE A 54 9.528 4.586 4.263 1.00 0.00 H new ATOM 0 HD2 PHE A 54 9.809 3.977 0.090 1.00 0.00 H new ATOM 0 HE1 PHE A 54 7.203 3.665 4.240 1.00 0.00 H new ATOM 0 HE2 PHE A 54 7.485 3.056 0.069 1.00 0.00 H new ATOM 0 HZ PHE A 54 6.211 2.911 2.143 1.00 0.00 H new ATOM 823 N CYS A 55 12.967 2.987 0.759 1.00 0.00 N ATOM 824 CA CYS A 55 13.206 1.914 -0.190 1.00 0.00 C ATOM 825 C CYS A 55 14.070 0.852 0.493 1.00 0.00 C ATOM 826 O CYS A 55 13.779 -0.340 0.407 1.00 0.00 O ATOM 827 CB CYS A 55 13.849 2.431 -1.478 1.00 0.00 C ATOM 828 SG CYS A 55 14.492 1.028 -2.463 1.00 0.00 S ATOM 0 H CYS A 55 13.231 3.915 0.429 1.00 0.00 H new ATOM 0 HA CYS A 55 12.256 1.471 -0.489 1.00 0.00 H new ATOM 0 HB2 CYS A 55 13.117 2.990 -2.061 1.00 0.00 H new ATOM 0 HB3 CYS A 55 14.659 3.120 -1.239 1.00 0.00 H new ATOM 0 HG CYS A 55 15.034 1.477 -3.556 1.00 0.00 H new ATOM 834 N ALA A 56 15.115 1.323 1.157 1.00 0.00 N ATOM 835 CA ALA A 56 16.024 0.429 1.855 1.00 0.00 C ATOM 836 C ALA A 56 15.218 -0.505 2.761 1.00 0.00 C ATOM 837 O ALA A 56 15.679 -1.592 3.104 1.00 0.00 O ATOM 838 CB ALA A 56 17.052 1.252 2.634 1.00 0.00 C ATOM 0 H ALA A 56 15.353 2.312 1.227 1.00 0.00 H new ATOM 0 HA ALA A 56 16.572 -0.191 1.146 1.00 0.00 H new ATOM 0 HB1 ALA A 56 17.734 0.582 3.157 1.00 0.00 H new ATOM 0 HB2 ALA A 56 17.617 1.877 1.943 1.00 0.00 H new ATOM 0 HB3 ALA A 56 16.538 1.885 3.358 1.00 0.00 H new ATOM 844 N GLU A 57 14.028 -0.046 3.121 1.00 0.00 N ATOM 845 CA GLU A 57 13.154 -0.827 3.980 1.00 0.00 C ATOM 846 C GLU A 57 12.162 -1.632 3.137 1.00 0.00 C ATOM 847 O GLU A 57 12.275 -2.852 3.036 1.00 0.00 O ATOM 848 CB GLU A 57 12.422 0.071 4.979 1.00 0.00 C ATOM 849 CG GLU A 57 12.743 -0.335 6.419 1.00 0.00 C ATOM 850 CD GLU A 57 11.728 -1.355 6.940 1.00 0.00 C ATOM 851 OE1 GLU A 57 11.706 -2.471 6.378 1.00 0.00 O ATOM 852 OE2 GLU A 57 10.998 -0.995 7.888 1.00 0.00 O ATOM 0 H GLU A 57 13.649 0.856 2.834 1.00 0.00 H new ATOM 0 HA GLU A 57 13.767 -1.525 4.550 1.00 0.00 H new ATOM 0 HB2 GLU A 57 12.709 1.110 4.818 1.00 0.00 H new ATOM 0 HB3 GLU A 57 11.347 0.008 4.811 1.00 0.00 H new ATOM 0 HG2 GLU A 57 13.746 -0.758 6.466 1.00 0.00 H new ATOM 0 HG3 GLU A 57 12.739 0.547 7.059 1.00 0.00 H new ATOM 859 N THR A 58 11.213 -0.915 2.553 1.00 0.00 N ATOM 860 CA THR A 58 10.202 -1.547 1.722 1.00 0.00 C ATOM 861 C THR A 58 10.842 -2.151 0.471 1.00 0.00 C ATOM 862 O THR A 58 10.664 -3.335 0.187 1.00 0.00 O ATOM 863 CB THR A 58 9.126 -0.505 1.412 1.00 0.00 C ATOM 864 OG1 THR A 58 9.862 0.685 1.143 1.00 0.00 O ATOM 865 CG2 THR A 58 8.281 -0.152 2.638 1.00 0.00 C ATOM 0 H THR A 58 11.123 0.097 2.639 1.00 0.00 H new ATOM 0 HA THR A 58 9.728 -2.380 2.240 1.00 0.00 H new ATOM 0 HB THR A 58 8.477 -0.879 0.620 1.00 0.00 H new ATOM 0 HG1 THR A 58 9.253 1.453 1.141 1.00 0.00 H new ATOM 0 HG21 THR A 58 7.533 0.591 2.363 1.00 0.00 H new ATOM 0 HG22 THR A 58 7.783 -1.049 3.007 1.00 0.00 H new ATOM 0 HG23 THR A 58 8.924 0.253 3.419 1.00 0.00 H new ATOM 873 N GLY A 59 11.575 -1.310 -0.245 1.00 0.00 N ATOM 874 CA GLY A 59 12.242 -1.747 -1.460 1.00 0.00 C ATOM 875 C GLY A 59 11.605 -1.107 -2.695 1.00 0.00 C ATOM 876 O GLY A 59 11.967 -1.435 -3.824 1.00 0.00 O ATOM 0 H GLY A 59 11.721 -0.329 -0.007 1.00 0.00 H new ATOM 0 HA2 GLY A 59 13.299 -1.484 -1.414 1.00 0.00 H new ATOM 0 HA3 GLY A 59 12.187 -2.833 -1.539 1.00 0.00 H new ATOM 880 N VAL A 60 10.668 -0.207 -2.439 1.00 0.00 N ATOM 881 CA VAL A 60 9.977 0.481 -3.517 1.00 0.00 C ATOM 882 C VAL A 60 10.932 1.481 -4.173 1.00 0.00 C ATOM 883 O VAL A 60 11.638 2.214 -3.483 1.00 0.00 O ATOM 884 CB VAL A 60 8.699 1.135 -2.986 1.00 0.00 C ATOM 885 CG1 VAL A 60 7.993 1.931 -4.085 1.00 0.00 C ATOM 886 CG2 VAL A 60 7.762 0.091 -2.376 1.00 0.00 C ATOM 0 H VAL A 60 10.371 0.062 -1.501 1.00 0.00 H new ATOM 0 HA VAL A 60 9.669 -0.227 -4.286 1.00 0.00 H new ATOM 0 HB VAL A 60 8.982 1.832 -2.197 1.00 0.00 H new ATOM 0 HG11 VAL A 60 7.088 2.385 -3.681 1.00 0.00 H new ATOM 0 HG12 VAL A 60 8.658 2.712 -4.453 1.00 0.00 H new ATOM 0 HG13 VAL A 60 7.729 1.263 -4.905 1.00 0.00 H new ATOM 0 HG21 VAL A 60 6.862 0.582 -2.006 1.00 0.00 H new ATOM 0 HG22 VAL A 60 7.490 -0.642 -3.136 1.00 0.00 H new ATOM 0 HG23 VAL A 60 8.266 -0.412 -1.551 1.00 0.00 H new ATOM 896 N ARG A 61 10.922 1.478 -5.497 1.00 0.00 N ATOM 897 CA ARG A 61 11.778 2.375 -6.254 1.00 0.00 C ATOM 898 C ARG A 61 11.168 3.778 -6.301 1.00 0.00 C ATOM 899 O ARG A 61 9.979 3.933 -6.576 1.00 0.00 O ATOM 900 CB ARG A 61 11.982 1.868 -7.683 1.00 0.00 C ATOM 901 CG ARG A 61 12.689 0.510 -7.687 1.00 0.00 C ATOM 902 CD ARG A 61 13.679 0.412 -8.849 1.00 0.00 C ATOM 903 NE ARG A 61 14.236 -0.957 -8.925 1.00 0.00 N ATOM 904 CZ ARG A 61 13.536 -2.032 -9.314 1.00 0.00 C ATOM 905 NH1 ARG A 61 12.250 -1.903 -9.666 1.00 0.00 N ATOM 906 NH2 ARG A 61 14.124 -3.236 -9.353 1.00 0.00 N ATOM 0 H ARG A 61 10.334 0.868 -6.066 1.00 0.00 H new ATOM 0 HA ARG A 61 12.745 2.411 -5.752 1.00 0.00 H new ATOM 0 HB2 ARG A 61 11.017 1.781 -8.183 1.00 0.00 H new ATOM 0 HB3 ARG A 61 12.571 2.590 -8.249 1.00 0.00 H new ATOM 0 HG2 ARG A 61 13.215 0.367 -6.743 1.00 0.00 H new ATOM 0 HG3 ARG A 61 11.951 -0.288 -7.765 1.00 0.00 H new ATOM 0 HD2 ARG A 61 13.180 0.663 -9.785 1.00 0.00 H new ATOM 0 HD3 ARG A 61 14.484 1.134 -8.714 1.00 0.00 H new ATOM 0 HE ARG A 61 15.213 -1.091 -8.665 1.00 0.00 H new ATOM 0 HH11 ARG A 61 11.803 -0.987 -9.638 1.00 0.00 H new ATOM 0 HH12 ARG A 61 11.718 -2.721 -9.962 1.00 0.00 H new ATOM 0 HH21 ARG A 61 15.104 -3.334 -9.087 1.00 0.00 H new ATOM 0 HH22 ARG A 61 13.592 -4.054 -9.649 1.00 0.00 H new ATOM 920 N ARG A 62 12.010 4.764 -6.027 1.00 0.00 N ATOM 921 CA ARG A 62 11.569 6.148 -6.035 1.00 0.00 C ATOM 922 C ARG A 62 10.585 6.386 -7.182 1.00 0.00 C ATOM 923 O ARG A 62 9.487 6.897 -6.968 1.00 0.00 O ATOM 924 CB ARG A 62 12.755 7.103 -6.182 1.00 0.00 C ATOM 925 CG ARG A 62 12.332 8.548 -5.910 1.00 0.00 C ATOM 926 CD ARG A 62 13.507 9.509 -6.103 1.00 0.00 C ATOM 927 NE ARG A 62 13.029 10.782 -6.687 1.00 0.00 N ATOM 928 CZ ARG A 62 13.834 11.726 -7.193 1.00 0.00 C ATOM 929 NH1 ARG A 62 15.162 11.546 -7.190 1.00 0.00 N ATOM 930 NH2 ARG A 62 13.312 12.850 -7.703 1.00 0.00 N ATOM 0 H ARG A 62 12.995 4.631 -5.798 1.00 0.00 H new ATOM 0 HA ARG A 62 11.075 6.344 -5.083 1.00 0.00 H new ATOM 0 HB2 ARG A 62 13.546 6.815 -5.490 1.00 0.00 H new ATOM 0 HB3 ARG A 62 13.168 7.024 -7.188 1.00 0.00 H new ATOM 0 HG2 ARG A 62 11.518 8.824 -6.580 1.00 0.00 H new ATOM 0 HG3 ARG A 62 11.951 8.634 -4.892 1.00 0.00 H new ATOM 0 HD2 ARG A 62 13.994 9.698 -5.146 1.00 0.00 H new ATOM 0 HD3 ARG A 62 14.253 9.057 -6.756 1.00 0.00 H new ATOM 0 HE ARG A 62 12.023 10.951 -6.705 1.00 0.00 H new ATOM 0 HH11 ARG A 62 15.560 10.690 -6.803 1.00 0.00 H new ATOM 0 HH12 ARG A 62 15.775 12.265 -7.575 1.00 0.00 H new ATOM 0 HH21 ARG A 62 12.301 12.987 -7.706 1.00 0.00 H new ATOM 0 HH22 ARG A 62 13.925 13.568 -8.088 1.00 0.00 H new ATOM 944 N GLN A 63 11.015 6.003 -8.376 1.00 0.00 N ATOM 945 CA GLN A 63 10.185 6.169 -9.558 1.00 0.00 C ATOM 946 C GLN A 63 8.834 5.480 -9.358 1.00 0.00 C ATOM 947 O GLN A 63 7.789 6.055 -9.662 1.00 0.00 O ATOM 948 CB GLN A 63 10.894 5.634 -10.804 1.00 0.00 C ATOM 949 CG GLN A 63 10.633 4.137 -10.984 1.00 0.00 C ATOM 950 CD GLN A 63 11.342 3.603 -12.230 1.00 0.00 C ATOM 951 OE1 GLN A 63 11.361 4.226 -13.280 1.00 0.00 O ATOM 952 NE2 GLN A 63 11.921 2.419 -12.058 1.00 0.00 N ATOM 0 H GLN A 63 11.926 5.579 -8.550 1.00 0.00 H new ATOM 0 HA GLN A 63 10.009 7.234 -9.709 1.00 0.00 H new ATOM 0 HB2 GLN A 63 10.548 6.175 -11.684 1.00 0.00 H new ATOM 0 HB3 GLN A 63 11.966 5.812 -10.721 1.00 0.00 H new ATOM 0 HG2 GLN A 63 10.979 3.595 -10.104 1.00 0.00 H new ATOM 0 HG3 GLN A 63 9.561 3.958 -11.067 1.00 0.00 H new ATOM 0 HE21 GLN A 63 11.867 1.952 -11.153 1.00 0.00 H new ATOM 0 HE22 GLN A 63 12.419 1.978 -12.831 1.00 0.00 H new ATOM 961 N VAL A 64 8.897 4.258 -8.849 1.00 0.00 N ATOM 962 CA VAL A 64 7.691 3.485 -8.605 1.00 0.00 C ATOM 963 C VAL A 64 6.852 4.183 -7.533 1.00 0.00 C ATOM 964 O VAL A 64 5.655 4.399 -7.720 1.00 0.00 O ATOM 965 CB VAL A 64 8.058 2.047 -8.236 1.00 0.00 C ATOM 966 CG1 VAL A 64 6.802 1.209 -7.985 1.00 0.00 C ATOM 967 CG2 VAL A 64 8.935 1.410 -9.315 1.00 0.00 C ATOM 0 H VAL A 64 9.765 3.784 -8.599 1.00 0.00 H new ATOM 0 HA VAL A 64 7.083 3.429 -9.508 1.00 0.00 H new ATOM 0 HB VAL A 64 8.634 2.075 -7.311 1.00 0.00 H new ATOM 0 HG11 VAL A 64 7.090 0.191 -7.724 1.00 0.00 H new ATOM 0 HG12 VAL A 64 6.231 1.646 -7.165 1.00 0.00 H new ATOM 0 HG13 VAL A 64 6.189 1.193 -8.886 1.00 0.00 H new ATOM 0 HG21 VAL A 64 9.181 0.388 -9.027 1.00 0.00 H new ATOM 0 HG22 VAL A 64 8.397 1.400 -10.263 1.00 0.00 H new ATOM 0 HG23 VAL A 64 9.853 1.987 -9.425 1.00 0.00 H new ATOM 977 N LEU A 65 7.512 4.515 -6.433 1.00 0.00 N ATOM 978 CA LEU A 65 6.841 5.183 -5.331 1.00 0.00 C ATOM 979 C LEU A 65 6.255 6.508 -5.824 1.00 0.00 C ATOM 980 O LEU A 65 5.056 6.749 -5.689 1.00 0.00 O ATOM 981 CB LEU A 65 7.790 5.336 -4.140 1.00 0.00 C ATOM 982 CG LEU A 65 7.437 6.438 -3.139 1.00 0.00 C ATOM 983 CD1 LEU A 65 6.187 6.071 -2.337 1.00 0.00 C ATOM 984 CD2 LEU A 65 8.628 6.756 -2.232 1.00 0.00 C ATOM 0 H LEU A 65 8.504 4.334 -6.281 1.00 0.00 H new ATOM 0 HA LEU A 65 6.008 4.580 -4.970 1.00 0.00 H new ATOM 0 HB2 LEU A 65 7.828 4.386 -3.606 1.00 0.00 H new ATOM 0 HB3 LEU A 65 8.793 5.527 -4.522 1.00 0.00 H new ATOM 0 HG LEU A 65 7.206 7.345 -3.697 1.00 0.00 H new ATOM 0 HD11 LEU A 65 5.958 6.871 -1.633 1.00 0.00 H new ATOM 0 HD12 LEU A 65 5.346 5.934 -3.017 1.00 0.00 H new ATOM 0 HD13 LEU A 65 6.365 5.146 -1.789 1.00 0.00 H new ATOM 0 HD21 LEU A 65 8.351 7.542 -1.530 1.00 0.00 H new ATOM 0 HD22 LEU A 65 8.914 5.861 -1.680 1.00 0.00 H new ATOM 0 HD23 LEU A 65 9.468 7.092 -2.839 1.00 0.00 H new ATOM 996 N LYS A 66 7.127 7.332 -6.386 1.00 0.00 N ATOM 997 CA LYS A 66 6.711 8.625 -6.900 1.00 0.00 C ATOM 998 C LYS A 66 5.467 8.447 -7.772 1.00 0.00 C ATOM 999 O LYS A 66 4.453 9.109 -7.556 1.00 0.00 O ATOM 1000 CB LYS A 66 7.872 9.315 -7.619 1.00 0.00 C ATOM 1001 CG LYS A 66 7.494 10.739 -8.032 1.00 0.00 C ATOM 1002 CD LYS A 66 7.327 10.844 -9.549 1.00 0.00 C ATOM 1003 CE LYS A 66 8.582 11.432 -10.198 1.00 0.00 C ATOM 1004 NZ LYS A 66 8.217 12.281 -11.355 1.00 0.00 N ATOM 0 H LYS A 66 8.120 7.129 -6.497 1.00 0.00 H new ATOM 0 HA LYS A 66 6.434 9.289 -6.081 1.00 0.00 H new ATOM 0 HB2 LYS A 66 8.744 9.342 -6.966 1.00 0.00 H new ATOM 0 HB3 LYS A 66 8.152 8.739 -8.501 1.00 0.00 H new ATOM 0 HG2 LYS A 66 6.566 11.030 -7.539 1.00 0.00 H new ATOM 0 HG3 LYS A 66 8.264 11.435 -7.698 1.00 0.00 H new ATOM 0 HD2 LYS A 66 7.126 9.857 -9.966 1.00 0.00 H new ATOM 0 HD3 LYS A 66 6.465 11.470 -9.781 1.00 0.00 H new ATOM 0 HE2 LYS A 66 9.135 12.022 -9.467 1.00 0.00 H new ATOM 0 HE3 LYS A 66 9.242 10.627 -10.523 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 9.080 12.672 -11.784 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 7.709 11.709 -12.059 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 7.606 13.059 -11.035 1.00 0.00 H new ATOM 1018 N ILE A 67 5.585 7.548 -8.738 1.00 0.00 N ATOM 1019 CA ILE A 67 4.482 7.274 -9.644 1.00 0.00 C ATOM 1020 C ILE A 67 3.305 6.704 -8.849 1.00 0.00 C ATOM 1021 O ILE A 67 2.154 7.056 -9.100 1.00 0.00 O ATOM 1022 CB ILE A 67 4.942 6.374 -10.792 1.00 0.00 C ATOM 1023 CG1 ILE A 67 6.129 6.994 -11.533 1.00 0.00 C ATOM 1024 CG2 ILE A 67 3.782 6.052 -11.736 1.00 0.00 C ATOM 1025 CD1 ILE A 67 7.004 5.912 -12.169 1.00 0.00 C ATOM 0 H ILE A 67 6.427 7.000 -8.913 1.00 0.00 H new ATOM 0 HA ILE A 67 4.135 8.195 -10.112 1.00 0.00 H new ATOM 0 HB ILE A 67 5.284 5.429 -10.369 1.00 0.00 H new ATOM 0 HG12 ILE A 67 5.766 7.673 -12.304 1.00 0.00 H new ATOM 0 HG13 ILE A 67 6.725 7.588 -10.840 1.00 0.00 H new ATOM 0 HG21 ILE A 67 4.137 5.411 -12.543 1.00 0.00 H new ATOM 0 HG22 ILE A 67 2.995 5.538 -11.184 1.00 0.00 H new ATOM 0 HG23 ILE A 67 3.386 6.977 -12.155 1.00 0.00 H new ATOM 0 HD11 ILE A 67 7.840 6.379 -12.689 1.00 0.00 H new ATOM 0 HD12 ILE A 67 7.385 5.249 -11.392 1.00 0.00 H new ATOM 0 HD13 ILE A 67 6.411 5.336 -12.879 1.00 0.00 H new ATOM 1037 N TRP A 68 3.635 5.832 -7.907 1.00 0.00 N ATOM 1038 CA TRP A 68 2.620 5.210 -7.075 1.00 0.00 C ATOM 1039 C TRP A 68 1.744 6.319 -6.489 1.00 0.00 C ATOM 1040 O TRP A 68 0.518 6.236 -6.535 1.00 0.00 O ATOM 1041 CB TRP A 68 3.258 4.323 -6.004 1.00 0.00 C ATOM 1042 CG TRP A 68 2.250 3.675 -5.052 1.00 0.00 C ATOM 1043 CD1 TRP A 68 1.696 2.458 -5.141 1.00 0.00 C ATOM 1044 CD2 TRP A 68 1.696 4.262 -3.856 1.00 0.00 C ATOM 1045 NE1 TRP A 68 0.829 2.219 -4.095 1.00 0.00 N ATOM 1046 CE2 TRP A 68 0.829 3.351 -3.289 1.00 0.00 C ATOM 1047 CE3 TRP A 68 1.919 5.522 -3.273 1.00 0.00 C ATOM 1048 CZ2 TRP A 68 0.116 3.602 -2.110 1.00 0.00 C ATOM 1049 CZ3 TRP A 68 1.199 5.758 -2.096 1.00 0.00 C ATOM 1050 CH2 TRP A 68 0.323 4.851 -1.512 1.00 0.00 C ATOM 0 H TRP A 68 4.591 5.542 -7.702 1.00 0.00 H new ATOM 0 HA TRP A 68 1.990 4.545 -7.666 1.00 0.00 H new ATOM 0 HB2 TRP A 68 3.836 3.539 -6.493 1.00 0.00 H new ATOM 0 HB3 TRP A 68 3.960 4.921 -5.422 1.00 0.00 H new ATOM 0 HD1 TRP A 68 1.902 1.753 -5.932 1.00 0.00 H new ATOM 0 HE1 TRP A 68 0.288 1.368 -3.941 1.00 0.00 H new ATOM 0 HE3 TRP A 68 2.593 6.250 -3.700 1.00 0.00 H new ATOM 0 HZ2 TRP A 68 -0.557 2.872 -1.685 1.00 0.00 H new ATOM 0 HZ3 TRP A 68 1.334 6.712 -1.608 1.00 0.00 H new ATOM 0 HH2 TRP A 68 -0.196 5.108 -0.601 1.00 0.00 H new ATOM 1061 N MET A 69 2.408 7.332 -5.951 1.00 0.00 N ATOM 1062 CA MET A 69 1.705 8.456 -5.357 1.00 0.00 C ATOM 1063 C MET A 69 0.739 9.091 -6.359 1.00 0.00 C ATOM 1064 O MET A 69 -0.446 9.250 -6.070 1.00 0.00 O ATOM 1065 CB MET A 69 2.719 9.503 -4.891 1.00 0.00 C ATOM 1066 CG MET A 69 3.393 9.071 -3.587 1.00 0.00 C ATOM 1067 SD MET A 69 5.144 8.843 -3.853 1.00 0.00 S ATOM 1068 CE MET A 69 5.792 9.978 -2.637 1.00 0.00 C ATOM 0 H MET A 69 3.425 7.397 -5.914 1.00 0.00 H new ATOM 0 HA MET A 69 1.128 8.092 -4.507 1.00 0.00 H new ATOM 0 HB2 MET A 69 3.474 9.652 -5.663 1.00 0.00 H new ATOM 0 HB3 MET A 69 2.218 10.460 -4.746 1.00 0.00 H new ATOM 0 HG2 MET A 69 3.229 9.824 -2.816 1.00 0.00 H new ATOM 0 HG3 MET A 69 2.947 8.144 -3.227 1.00 0.00 H new ATOM 0 HE1 MET A 69 6.765 9.627 -2.294 1.00 0.00 H new ATOM 0 HE2 MET A 69 5.899 10.967 -3.083 1.00 0.00 H new ATOM 0 HE3 MET A 69 5.108 10.034 -1.790 1.00 0.00 H new ATOM 1078 N HIS A 70 1.282 9.438 -7.518 1.00 0.00 N ATOM 1079 CA HIS A 70 0.483 10.052 -8.565 1.00 0.00 C ATOM 1080 C HIS A 70 -0.663 9.115 -8.951 1.00 0.00 C ATOM 1081 O HIS A 70 -1.676 9.558 -9.490 1.00 0.00 O ATOM 1082 CB HIS A 70 1.359 10.442 -9.757 1.00 0.00 C ATOM 1083 CG HIS A 70 0.584 10.969 -10.941 1.00 0.00 C ATOM 1084 ND1 HIS A 70 0.491 12.318 -11.236 1.00 0.00 N ATOM 1085 CD2 HIS A 70 -0.132 10.315 -11.901 1.00 0.00 C ATOM 1086 CE1 HIS A 70 -0.250 12.458 -12.325 1.00 0.00 C ATOM 1087 NE2 HIS A 70 -0.636 11.216 -12.735 1.00 0.00 N ATOM 0 H HIS A 70 2.265 9.305 -7.754 1.00 0.00 H new ATOM 0 HA HIS A 70 0.040 10.977 -8.196 1.00 0.00 H new ATOM 0 HB2 HIS A 70 2.074 11.200 -9.437 1.00 0.00 H new ATOM 0 HB3 HIS A 70 1.936 9.572 -10.071 1.00 0.00 H new ATOM 0 HD2 HIS A 70 -0.266 9.246 -11.970 1.00 0.00 H new ATOM 0 HE1 HIS A 70 -0.504 13.392 -12.804 1.00 0.00 H new ATOM 0 HE2 HIS A 70 -1.217 11.013 -13.549 1.00 0.00 H new ATOM 1095 N ASN A 71 -0.465 7.838 -8.661 1.00 0.00 N ATOM 1096 CA ASN A 71 -1.469 6.835 -8.972 1.00 0.00 C ATOM 1097 C ASN A 71 -2.380 6.638 -7.758 1.00 0.00 C ATOM 1098 O ASN A 71 -2.966 5.571 -7.584 1.00 0.00 O ATOM 1099 CB ASN A 71 -0.821 5.489 -9.300 1.00 0.00 C ATOM 1100 CG ASN A 71 -0.835 5.226 -10.807 1.00 0.00 C ATOM 1101 OD1 ASN A 71 -1.870 5.222 -11.452 1.00 0.00 O ATOM 1102 ND2 ASN A 71 0.368 5.006 -11.329 1.00 0.00 N ATOM 0 H ASN A 71 0.376 7.474 -8.214 1.00 0.00 H new ATOM 0 HA ASN A 71 -2.035 7.182 -9.836 1.00 0.00 H new ATOM 0 HB2 ASN A 71 0.206 5.477 -8.935 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -1.352 4.690 -8.783 1.00 0.00 H new ATOM 0 HD21 ASN A 71 0.464 4.819 -12.327 1.00 0.00 H new ATOM 0 HD22 ASN A 71 1.194 5.024 -10.731 1.00 0.00 H new ATOM 1109 N ASN A 72 -2.469 7.684 -6.949 1.00 0.00 N ATOM 1110 CA ASN A 72 -3.298 7.640 -5.757 1.00 0.00 C ATOM 1111 C ASN A 72 -3.905 9.022 -5.511 1.00 0.00 C ATOM 1112 O ASN A 72 -5.125 9.170 -5.469 1.00 0.00 O ATOM 1113 CB ASN A 72 -2.472 7.260 -4.526 1.00 0.00 C ATOM 1114 CG ASN A 72 -2.237 5.749 -4.469 1.00 0.00 C ATOM 1115 OD1 ASN A 72 -3.136 4.964 -4.217 1.00 0.00 O ATOM 1116 ND2 ASN A 72 -0.981 5.388 -4.715 1.00 0.00 N ATOM 0 H ASN A 72 -1.980 8.567 -7.096 1.00 0.00 H new ATOM 0 HA ASN A 72 -4.076 6.893 -5.915 1.00 0.00 H new ATOM 0 HB2 ASN A 72 -1.514 7.780 -4.551 1.00 0.00 H new ATOM 0 HB3 ASN A 72 -2.988 7.586 -3.623 1.00 0.00 H new ATOM 0 HD21 ASN A 72 -0.721 4.402 -4.700 1.00 0.00 H new ATOM 0 HD22 ASN A 72 -0.277 6.097 -4.919 1.00 0.00 H new ATOM 1123 N LYS A 73 -3.025 10.000 -5.355 1.00 0.00 N ATOM 1124 CA LYS A 73 -3.459 11.366 -5.114 1.00 0.00 C ATOM 1125 C LYS A 73 -4.675 11.672 -5.991 1.00 0.00 C ATOM 1126 O LYS A 73 -4.712 11.295 -7.161 1.00 0.00 O ATOM 1127 CB LYS A 73 -2.296 12.340 -5.313 1.00 0.00 C ATOM 1128 CG LYS A 73 -2.033 12.584 -6.801 1.00 0.00 C ATOM 1129 CD LYS A 73 -1.161 13.824 -7.008 1.00 0.00 C ATOM 1130 CE LYS A 73 0.317 13.442 -7.117 1.00 0.00 C ATOM 1131 NZ LYS A 73 1.170 14.650 -7.053 1.00 0.00 N ATOM 0 H LYS A 73 -2.013 9.874 -5.391 1.00 0.00 H new ATOM 0 HA LYS A 73 -3.774 11.489 -4.078 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -2.521 13.286 -4.820 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -1.398 11.941 -4.842 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -1.542 11.713 -7.235 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -2.980 12.710 -7.325 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -1.473 14.346 -7.913 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -1.302 14.515 -6.177 1.00 0.00 H new ATOM 0 HE2 LYS A 73 0.583 12.759 -6.310 1.00 0.00 H new ATOM 0 HE3 LYS A 73 0.494 12.914 -8.054 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 2.170 14.373 -7.128 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 0.927 15.288 -7.837 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 1.013 15.138 -6.148 1.00 0.00 H new