USER MOD reduce.3.24.130724 H: found=0, std=0, add=411, rem=0, adj=5 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= -0.0124 USER MOD Single : A 28 GLN : amide:sc= -4.26! C(o=-4.3!,f=-7.4!) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 MET CE :methyl -131:sc= -1.94 (180deg=-4.65!) USER MOD Single : A 44 GLN : amide:sc= -0.0107 X(o=-0.011,f=-0.0042) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 HIS : no HD1:sc= -6.64! C(o=-6.6!,f=-7!) USER MOD Single : A 53 GLN : amide:sc= -0.013 X(o=-0.013,f=0) USER MOD Single : A 55 CYS SG : rot -81:sc= -2.83 USER MOD Single : A 58 THR OG1 : rot -142:sc= 0.301 USER MOD Single : A 63 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 MET CE :methyl -114:sc= -4.88! (180deg=-7.61!) USER MOD Single : A 70 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 71 ASN : amide:sc= -0.725! X(o=-0.73!,f=-0.91) USER MOD Single : A 72 ASN : amide:sc= 0.428 K(o=0.43,f=-1.3) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 326 N THR A 25 3.198 -5.603 -1.495 1.00 0.00 N ATOM 327 CA THR A 25 2.627 -6.243 -0.322 1.00 0.00 C ATOM 328 C THR A 25 1.951 -5.205 0.576 1.00 0.00 C ATOM 329 O THR A 25 2.329 -4.034 0.571 1.00 0.00 O ATOM 330 CB THR A 25 3.741 -7.021 0.381 1.00 0.00 C ATOM 331 OG1 THR A 25 3.083 -7.658 1.473 1.00 0.00 O ATOM 332 CG2 THR A 25 4.766 -6.102 1.048 1.00 0.00 C ATOM 0 HA THR A 25 1.843 -6.948 -0.598 1.00 0.00 H new ATOM 0 HB THR A 25 4.246 -7.664 -0.340 1.00 0.00 H new ATOM 0 HG1 THR A 25 3.732 -8.186 1.983 1.00 0.00 H new ATOM 0 HG21 THR A 25 5.534 -6.705 1.532 1.00 0.00 H new ATOM 0 HG22 THR A 25 5.227 -5.463 0.294 1.00 0.00 H new ATOM 0 HG23 THR A 25 4.268 -5.482 1.793 1.00 0.00 H new ATOM 340 N ALA A 26 0.962 -5.671 1.325 1.00 0.00 N ATOM 341 CA ALA A 26 0.230 -4.798 2.226 1.00 0.00 C ATOM 342 C ALA A 26 1.209 -3.839 2.907 1.00 0.00 C ATOM 343 O ALA A 26 1.028 -2.623 2.858 1.00 0.00 O ATOM 344 CB ALA A 26 -0.554 -5.643 3.232 1.00 0.00 C ATOM 0 H ALA A 26 0.651 -6.642 1.326 1.00 0.00 H new ATOM 0 HA ALA A 26 -0.492 -4.196 1.675 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -1.103 -4.988 3.908 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -1.256 -6.285 2.699 1.00 0.00 H new ATOM 0 HB3 ALA A 26 0.137 -6.259 3.806 1.00 0.00 H new ATOM 350 N GLU A 27 2.224 -4.422 3.527 1.00 0.00 N ATOM 351 CA GLU A 27 3.232 -3.635 4.217 1.00 0.00 C ATOM 352 C GLU A 27 3.625 -2.420 3.374 1.00 0.00 C ATOM 353 O GLU A 27 3.460 -1.280 3.807 1.00 0.00 O ATOM 354 CB GLU A 27 4.456 -4.487 4.556 1.00 0.00 C ATOM 355 CG GLU A 27 4.943 -4.206 5.979 1.00 0.00 C ATOM 356 CD GLU A 27 4.098 -4.962 7.006 1.00 0.00 C ATOM 357 OE1 GLU A 27 4.168 -6.210 6.991 1.00 0.00 O ATOM 358 OE2 GLU A 27 3.401 -4.275 7.784 1.00 0.00 O ATOM 0 H GLU A 27 2.370 -5.431 3.566 1.00 0.00 H new ATOM 0 HA GLU A 27 2.808 -3.279 5.156 1.00 0.00 H new ATOM 0 HB2 GLU A 27 4.207 -5.543 4.455 1.00 0.00 H new ATOM 0 HB3 GLU A 27 5.256 -4.279 3.846 1.00 0.00 H new ATOM 0 HG2 GLU A 27 5.988 -4.501 6.075 1.00 0.00 H new ATOM 0 HG3 GLU A 27 4.894 -3.136 6.179 1.00 0.00 H new ATOM 365 N GLN A 28 4.138 -2.704 2.186 1.00 0.00 N ATOM 366 CA GLN A 28 4.556 -1.649 1.279 1.00 0.00 C ATOM 367 C GLN A 28 3.411 -0.660 1.053 1.00 0.00 C ATOM 368 O GLN A 28 3.603 0.551 1.156 1.00 0.00 O ATOM 369 CB GLN A 28 5.049 -2.230 -0.047 1.00 0.00 C ATOM 370 CG GLN A 28 6.453 -2.821 0.101 1.00 0.00 C ATOM 371 CD GLN A 28 7.132 -2.968 -1.262 1.00 0.00 C ATOM 372 OE1 GLN A 28 6.522 -2.822 -2.308 1.00 0.00 O ATOM 373 NE2 GLN A 28 8.427 -3.265 -1.192 1.00 0.00 N ATOM 0 H GLN A 28 4.274 -3.650 1.830 1.00 0.00 H new ATOM 0 HA GLN A 28 5.389 -1.113 1.734 1.00 0.00 H new ATOM 0 HB2 GLN A 28 4.360 -3.002 -0.388 1.00 0.00 H new ATOM 0 HB3 GLN A 28 5.057 -1.451 -0.809 1.00 0.00 H new ATOM 0 HG2 GLN A 28 7.056 -2.180 0.744 1.00 0.00 H new ATOM 0 HG3 GLN A 28 6.392 -3.794 0.588 1.00 0.00 H new ATOM 0 HE21 GLN A 28 8.877 -3.373 -0.283 1.00 0.00 H new ATOM 0 HE22 GLN A 28 8.970 -3.384 -2.047 1.00 0.00 H new ATOM 382 N LYS A 29 2.246 -1.212 0.748 1.00 0.00 N ATOM 383 CA LYS A 29 1.071 -0.393 0.505 1.00 0.00 C ATOM 384 C LYS A 29 0.816 0.499 1.723 1.00 0.00 C ATOM 385 O LYS A 29 0.655 1.711 1.586 1.00 0.00 O ATOM 386 CB LYS A 29 -0.124 -1.269 0.125 1.00 0.00 C ATOM 387 CG LYS A 29 0.055 -1.862 -1.274 1.00 0.00 C ATOM 388 CD LYS A 29 0.261 -3.377 -1.206 1.00 0.00 C ATOM 389 CE LYS A 29 -0.810 -4.113 -2.013 1.00 0.00 C ATOM 390 NZ LYS A 29 -1.364 -5.241 -1.231 1.00 0.00 N ATOM 0 H LYS A 29 2.091 -2.217 0.664 1.00 0.00 H new ATOM 0 HA LYS A 29 1.237 0.267 -0.346 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -0.237 -2.072 0.853 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -1.039 -0.677 0.159 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -0.821 -1.638 -1.883 1.00 0.00 H new ATOM 0 HG3 LYS A 29 0.911 -1.397 -1.763 1.00 0.00 H new ATOM 0 HD2 LYS A 29 1.249 -3.631 -1.590 1.00 0.00 H new ATOM 0 HD3 LYS A 29 0.229 -3.706 -0.167 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -1.609 -3.423 -2.283 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -0.381 -4.484 -2.944 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -2.090 -5.730 -1.793 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -0.601 -5.908 -0.995 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -1.791 -4.879 -0.354 1.00 0.00 H new ATOM 404 N GLU A 30 0.787 -0.136 2.885 1.00 0.00 N ATOM 405 CA GLU A 30 0.555 0.585 4.126 1.00 0.00 C ATOM 406 C GLU A 30 1.677 1.596 4.370 1.00 0.00 C ATOM 407 O GLU A 30 1.415 2.754 4.691 1.00 0.00 O ATOM 408 CB GLU A 30 0.421 -0.382 5.304 1.00 0.00 C ATOM 409 CG GLU A 30 -0.757 -1.336 5.099 1.00 0.00 C ATOM 410 CD GLU A 30 -1.046 -2.133 6.373 1.00 0.00 C ATOM 411 OE1 GLU A 30 -0.061 -2.596 6.988 1.00 0.00 O ATOM 412 OE2 GLU A 30 -2.244 -2.260 6.704 1.00 0.00 O ATOM 0 H GLU A 30 0.920 -1.141 2.994 1.00 0.00 H new ATOM 0 HA GLU A 30 -0.385 1.130 4.037 1.00 0.00 H new ATOM 0 HB2 GLU A 30 1.342 -0.954 5.416 1.00 0.00 H new ATOM 0 HB3 GLU A 30 0.281 0.181 6.227 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -1.643 -0.769 4.812 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -0.537 -2.020 4.280 1.00 0.00 H new ATOM 419 N LYS A 31 2.904 1.121 4.210 1.00 0.00 N ATOM 420 CA LYS A 31 4.066 1.969 4.409 1.00 0.00 C ATOM 421 C LYS A 31 3.959 3.196 3.502 1.00 0.00 C ATOM 422 O LYS A 31 4.154 4.324 3.953 1.00 0.00 O ATOM 423 CB LYS A 31 5.354 1.167 4.210 1.00 0.00 C ATOM 424 CG LYS A 31 5.905 0.671 5.548 1.00 0.00 C ATOM 425 CD LYS A 31 5.999 -0.856 5.570 1.00 0.00 C ATOM 426 CE LYS A 31 7.458 -1.315 5.525 1.00 0.00 C ATOM 427 NZ LYS A 31 7.872 -1.857 6.838 1.00 0.00 N ATOM 0 H LYS A 31 3.118 0.160 3.945 1.00 0.00 H new ATOM 0 HA LYS A 31 4.100 2.334 5.435 1.00 0.00 H new ATOM 0 HB2 LYS A 31 5.160 0.317 3.556 1.00 0.00 H new ATOM 0 HB3 LYS A 31 6.100 1.788 3.713 1.00 0.00 H new ATOM 0 HG2 LYS A 31 6.891 1.102 5.722 1.00 0.00 H new ATOM 0 HG3 LYS A 31 5.261 1.011 6.359 1.00 0.00 H new ATOM 0 HD2 LYS A 31 5.520 -1.241 6.471 1.00 0.00 H new ATOM 0 HD3 LYS A 31 5.457 -1.270 4.720 1.00 0.00 H new ATOM 0 HE2 LYS A 31 7.582 -2.077 4.755 1.00 0.00 H new ATOM 0 HE3 LYS A 31 8.100 -0.478 5.252 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 8.865 -2.164 6.790 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 7.772 -1.120 7.565 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 7.270 -2.669 7.084 1.00 0.00 H new ATOM 441 N MET A 32 3.649 2.935 2.241 1.00 0.00 N ATOM 442 CA MET A 32 3.514 4.004 1.267 1.00 0.00 C ATOM 443 C MET A 32 2.355 4.935 1.632 1.00 0.00 C ATOM 444 O MET A 32 2.500 6.156 1.595 1.00 0.00 O ATOM 445 CB MET A 32 3.270 3.404 -0.120 1.00 0.00 C ATOM 446 CG MET A 32 4.567 2.853 -0.714 1.00 0.00 C ATOM 447 SD MET A 32 4.509 2.944 -2.496 1.00 0.00 S ATOM 448 CE MET A 32 4.514 1.205 -2.896 1.00 0.00 C ATOM 0 H MET A 32 3.487 1.998 1.871 1.00 0.00 H new ATOM 0 HA MET A 32 4.436 4.586 1.264 1.00 0.00 H new ATOM 0 HB2 MET A 32 2.530 2.607 -0.050 1.00 0.00 H new ATOM 0 HB3 MET A 32 2.857 4.165 -0.782 1.00 0.00 H new ATOM 0 HG2 MET A 32 5.418 3.422 -0.340 1.00 0.00 H new ATOM 0 HG3 MET A 32 4.711 1.820 -0.399 1.00 0.00 H new ATOM 0 HE1 MET A 32 5.268 1.009 -3.659 1.00 0.00 H new ATOM 0 HE2 MET A 32 4.745 0.627 -2.001 1.00 0.00 H new ATOM 0 HE3 MET A 32 3.533 0.915 -3.272 1.00 0.00 H new ATOM 458 N LEU A 33 1.232 4.322 1.975 1.00 0.00 N ATOM 459 CA LEU A 33 0.049 5.080 2.346 1.00 0.00 C ATOM 460 C LEU A 33 0.440 6.168 3.348 1.00 0.00 C ATOM 461 O LEU A 33 0.053 7.326 3.196 1.00 0.00 O ATOM 462 CB LEU A 33 -1.050 4.144 2.852 1.00 0.00 C ATOM 463 CG LEU A 33 -2.126 3.761 1.834 1.00 0.00 C ATOM 464 CD1 LEU A 33 -3.164 4.875 1.687 1.00 0.00 C ATOM 465 CD2 LEU A 33 -1.499 3.381 0.490 1.00 0.00 C ATOM 0 H LEU A 33 1.116 3.309 2.004 1.00 0.00 H new ATOM 0 HA LEU A 33 -0.370 5.584 1.475 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -0.582 3.230 3.217 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -1.537 4.616 3.706 1.00 0.00 H new ATOM 0 HG LEU A 33 -2.650 2.880 2.206 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -3.917 4.577 0.958 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -3.643 5.056 2.649 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -2.673 5.788 1.349 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -2.285 3.113 -0.216 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -0.934 4.228 0.100 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -0.830 2.531 0.628 1.00 0.00 H new ATOM 477 N ALA A 34 1.202 5.758 4.352 1.00 0.00 N ATOM 478 CA ALA A 34 1.649 6.683 5.379 1.00 0.00 C ATOM 479 C ALA A 34 2.784 7.545 4.823 1.00 0.00 C ATOM 480 O ALA A 34 2.694 8.772 4.824 1.00 0.00 O ATOM 481 CB ALA A 34 2.069 5.900 6.624 1.00 0.00 C ATOM 0 H ALA A 34 1.521 4.797 4.476 1.00 0.00 H new ATOM 0 HA ALA A 34 0.839 7.351 5.672 1.00 0.00 H new ATOM 0 HB1 ALA A 34 2.404 6.594 7.394 1.00 0.00 H new ATOM 0 HB2 ALA A 34 1.220 5.327 6.997 1.00 0.00 H new ATOM 0 HB3 ALA A 34 2.882 5.220 6.369 1.00 0.00 H new ATOM 487 N PHE A 35 3.826 6.870 4.361 1.00 0.00 N ATOM 488 CA PHE A 35 4.977 7.559 3.803 1.00 0.00 C ATOM 489 C PHE A 35 4.547 8.802 3.022 1.00 0.00 C ATOM 490 O PHE A 35 5.021 9.904 3.292 1.00 0.00 O ATOM 491 CB PHE A 35 5.663 6.582 2.846 1.00 0.00 C ATOM 492 CG PHE A 35 6.942 7.130 2.209 1.00 0.00 C ATOM 493 CD1 PHE A 35 8.053 7.321 2.969 1.00 0.00 C ATOM 494 CD2 PHE A 35 6.967 7.425 0.881 1.00 0.00 C ATOM 495 CE1 PHE A 35 9.239 7.830 2.378 1.00 0.00 C ATOM 496 CE2 PHE A 35 8.154 7.933 0.290 1.00 0.00 C ATOM 497 CZ PHE A 35 9.265 8.125 1.051 1.00 0.00 C ATOM 0 H PHE A 35 3.897 5.852 4.362 1.00 0.00 H new ATOM 0 HA PHE A 35 5.643 7.879 4.604 1.00 0.00 H new ATOM 0 HB2 PHE A 35 5.902 5.667 3.387 1.00 0.00 H new ATOM 0 HB3 PHE A 35 4.963 6.311 2.056 1.00 0.00 H new ATOM 0 HD1 PHE A 35 8.033 7.085 4.023 1.00 0.00 H new ATOM 0 HD2 PHE A 35 6.085 7.273 0.277 1.00 0.00 H new ATOM 0 HE1 PHE A 35 10.121 7.983 2.982 1.00 0.00 H new ATOM 0 HE2 PHE A 35 8.175 8.167 -0.764 1.00 0.00 H new ATOM 0 HZ PHE A 35 10.168 8.512 0.601 1.00 0.00 H new ATOM 507 N ALA A 36 3.652 8.583 2.070 1.00 0.00 N ATOM 508 CA ALA A 36 3.152 9.672 1.247 1.00 0.00 C ATOM 509 C ALA A 36 2.514 10.733 2.147 1.00 0.00 C ATOM 510 O ALA A 36 2.976 11.872 2.193 1.00 0.00 O ATOM 511 CB ALA A 36 2.172 9.120 0.211 1.00 0.00 C ATOM 0 H ALA A 36 3.260 7.667 1.850 1.00 0.00 H new ATOM 0 HA ALA A 36 3.967 10.148 0.702 1.00 0.00 H new ATOM 0 HB1 ALA A 36 1.797 9.936 -0.406 1.00 0.00 H new ATOM 0 HB2 ALA A 36 2.682 8.392 -0.420 1.00 0.00 H new ATOM 0 HB3 ALA A 36 1.338 8.637 0.720 1.00 0.00 H new ATOM 517 N GLU A 37 1.463 10.321 2.839 1.00 0.00 N ATOM 518 CA GLU A 37 0.757 11.222 3.734 1.00 0.00 C ATOM 519 C GLU A 37 1.750 12.114 4.482 1.00 0.00 C ATOM 520 O GLU A 37 1.421 13.239 4.854 1.00 0.00 O ATOM 521 CB GLU A 37 -0.125 10.443 4.713 1.00 0.00 C ATOM 522 CG GLU A 37 -1.577 10.408 4.234 1.00 0.00 C ATOM 523 CD GLU A 37 -2.167 11.818 4.169 1.00 0.00 C ATOM 524 OE1 GLU A 37 -1.796 12.630 5.044 1.00 0.00 O ATOM 525 OE2 GLU A 37 -2.975 12.053 3.244 1.00 0.00 O ATOM 0 H GLU A 37 1.083 9.375 2.798 1.00 0.00 H new ATOM 0 HA GLU A 37 0.105 11.859 3.136 1.00 0.00 H new ATOM 0 HB2 GLU A 37 0.252 9.426 4.817 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -0.075 10.904 5.699 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -1.628 9.943 3.249 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -2.171 9.792 4.909 1.00 0.00 H new ATOM 532 N ARG A 38 2.946 11.578 4.678 1.00 0.00 N ATOM 533 CA ARG A 38 3.989 12.311 5.374 1.00 0.00 C ATOM 534 C ARG A 38 4.623 13.345 4.442 1.00 0.00 C ATOM 535 O ARG A 38 4.755 14.514 4.803 1.00 0.00 O ATOM 536 CB ARG A 38 5.076 11.366 5.891 1.00 0.00 C ATOM 537 CG ARG A 38 4.473 10.038 6.352 1.00 0.00 C ATOM 538 CD ARG A 38 5.067 9.602 7.693 1.00 0.00 C ATOM 539 NE ARG A 38 4.901 10.680 8.694 1.00 0.00 N ATOM 540 CZ ARG A 38 5.864 11.550 9.028 1.00 0.00 C ATOM 541 NH1 ARG A 38 7.068 11.474 8.444 1.00 0.00 N ATOM 542 NH2 ARG A 38 5.624 12.495 9.947 1.00 0.00 N ATOM 0 H ARG A 38 3.215 10.645 4.367 1.00 0.00 H new ATOM 0 HA ARG A 38 3.529 12.816 6.223 1.00 0.00 H new ATOM 0 HB2 ARG A 38 5.808 11.184 5.105 1.00 0.00 H new ATOM 0 HB3 ARG A 38 5.607 11.835 6.719 1.00 0.00 H new ATOM 0 HG2 ARG A 38 3.392 10.138 6.445 1.00 0.00 H new ATOM 0 HG3 ARG A 38 4.659 9.270 5.601 1.00 0.00 H new ATOM 0 HD2 ARG A 38 4.575 8.693 8.040 1.00 0.00 H new ATOM 0 HD3 ARG A 38 6.124 9.366 7.572 1.00 0.00 H new ATOM 0 HE ARG A 38 3.997 10.766 9.159 1.00 0.00 H new ATOM 0 HH11 ARG A 38 7.251 10.754 7.745 1.00 0.00 H new ATOM 0 HH12 ARG A 38 7.801 12.136 8.698 1.00 0.00 H new ATOM 0 HH21 ARG A 38 4.708 12.552 10.393 1.00 0.00 H new ATOM 0 HH22 ARG A 38 6.357 13.157 10.201 1.00 0.00 H new ATOM 556 N LEU A 39 5.000 12.878 3.261 1.00 0.00 N ATOM 557 CA LEU A 39 5.617 13.748 2.274 1.00 0.00 C ATOM 558 C LEU A 39 4.525 14.486 1.497 1.00 0.00 C ATOM 559 O LEU A 39 4.814 15.188 0.529 1.00 0.00 O ATOM 560 CB LEU A 39 6.574 12.953 1.383 1.00 0.00 C ATOM 561 CG LEU A 39 7.217 11.719 2.022 1.00 0.00 C ATOM 562 CD1 LEU A 39 6.856 10.450 1.247 1.00 0.00 C ATOM 563 CD2 LEU A 39 8.730 11.898 2.157 1.00 0.00 C ATOM 0 H LEU A 39 4.890 11.908 2.965 1.00 0.00 H new ATOM 0 HA LEU A 39 6.228 14.506 2.764 1.00 0.00 H new ATOM 0 HB2 LEU A 39 6.031 12.635 0.493 1.00 0.00 H new ATOM 0 HB3 LEU A 39 7.368 13.621 1.050 1.00 0.00 H new ATOM 0 HG LEU A 39 6.815 11.606 3.029 1.00 0.00 H new ATOM 0 HD11 LEU A 39 7.325 9.588 1.721 1.00 0.00 H new ATOM 0 HD12 LEU A 39 5.774 10.319 1.246 1.00 0.00 H new ATOM 0 HD13 LEU A 39 7.211 10.537 0.220 1.00 0.00 H new ATOM 0 HD21 LEU A 39 9.162 11.008 2.614 1.00 0.00 H new ATOM 0 HD22 LEU A 39 9.168 12.049 1.170 1.00 0.00 H new ATOM 0 HD23 LEU A 39 8.939 12.765 2.783 1.00 0.00 H new ATOM 575 N GLY A 40 3.294 14.304 1.952 1.00 0.00 N ATOM 576 CA GLY A 40 2.158 14.944 1.312 1.00 0.00 C ATOM 577 C GLY A 40 1.974 14.433 -0.118 1.00 0.00 C ATOM 578 O GLY A 40 1.473 15.154 -0.980 1.00 0.00 O ATOM 0 H GLY A 40 3.059 13.722 2.756 1.00 0.00 H new ATOM 0 HA2 GLY A 40 1.254 14.751 1.890 1.00 0.00 H new ATOM 0 HA3 GLY A 40 2.304 16.024 1.300 1.00 0.00 H new ATOM 582 N TRP A 41 2.388 13.192 -0.327 1.00 0.00 N ATOM 583 CA TRP A 41 2.275 12.575 -1.638 1.00 0.00 C ATOM 584 C TRP A 41 3.227 13.305 -2.587 1.00 0.00 C ATOM 585 O TRP A 41 3.095 13.201 -3.806 1.00 0.00 O ATOM 586 CB TRP A 41 0.825 12.583 -2.124 1.00 0.00 C ATOM 587 CG TRP A 41 -0.119 11.724 -1.279 1.00 0.00 C ATOM 588 CD1 TRP A 41 -0.852 12.099 -0.222 1.00 0.00 C ATOM 589 CD2 TRP A 41 -0.404 10.321 -1.466 1.00 0.00 C ATOM 590 NE1 TRP A 41 -1.585 11.045 0.285 1.00 0.00 N ATOM 591 CE2 TRP A 41 -1.304 9.930 -0.496 1.00 0.00 C ATOM 592 CE3 TRP A 41 0.083 9.414 -2.423 1.00 0.00 C ATOM 593 CZ2 TRP A 41 -1.795 8.623 -0.388 1.00 0.00 C ATOM 594 CZ3 TRP A 41 -0.417 8.112 -2.302 1.00 0.00 C ATOM 595 CH2 TRP A 41 -1.323 7.702 -1.331 1.00 0.00 C ATOM 0 H TRP A 41 2.803 12.597 0.390 1.00 0.00 H new ATOM 0 HA TRP A 41 2.562 11.524 -1.596 1.00 0.00 H new ATOM 0 HB2 TRP A 41 0.460 13.610 -2.128 1.00 0.00 H new ATOM 0 HB3 TRP A 41 0.796 12.230 -3.155 1.00 0.00 H new ATOM 0 HD1 TRP A 41 -0.867 13.100 0.183 1.00 0.00 H new ATOM 0 HE1 TRP A 41 -2.217 11.078 1.085 1.00 0.00 H new ATOM 0 HE3 TRP A 41 0.787 9.699 -3.191 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 -2.499 8.341 0.381 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 -0.075 7.375 -3.013 1.00 0.00 H new ATOM 0 HH2 TRP A 41 -1.662 6.677 -1.304 1.00 0.00 H new ATOM 606 N ARG A 42 4.166 14.027 -1.993 1.00 0.00 N ATOM 607 CA ARG A 42 5.140 14.774 -2.771 1.00 0.00 C ATOM 608 C ARG A 42 6.560 14.428 -2.317 1.00 0.00 C ATOM 609 O ARG A 42 6.783 14.117 -1.148 1.00 0.00 O ATOM 610 CB ARG A 42 4.920 16.282 -2.628 1.00 0.00 C ATOM 611 CG ARG A 42 5.762 17.057 -3.643 1.00 0.00 C ATOM 612 CD ARG A 42 5.920 18.519 -3.221 1.00 0.00 C ATOM 613 NE ARG A 42 5.523 19.413 -4.332 1.00 0.00 N ATOM 614 CZ ARG A 42 5.415 20.744 -4.224 1.00 0.00 C ATOM 615 NH1 ARG A 42 5.673 21.344 -3.054 1.00 0.00 N ATOM 616 NH2 ARG A 42 5.049 21.475 -5.286 1.00 0.00 N ATOM 0 H ARG A 42 4.273 14.111 -0.982 1.00 0.00 H new ATOM 0 HA ARG A 42 5.011 14.497 -3.817 1.00 0.00 H new ATOM 0 HB2 ARG A 42 3.865 16.515 -2.772 1.00 0.00 H new ATOM 0 HB3 ARG A 42 5.181 16.597 -1.618 1.00 0.00 H new ATOM 0 HG2 ARG A 42 6.744 16.593 -3.736 1.00 0.00 H new ATOM 0 HG3 ARG A 42 5.292 17.007 -4.625 1.00 0.00 H new ATOM 0 HD2 ARG A 42 5.306 18.721 -2.344 1.00 0.00 H new ATOM 0 HD3 ARG A 42 6.954 18.715 -2.938 1.00 0.00 H new ATOM 0 HE ARG A 42 5.319 18.989 -5.237 1.00 0.00 H new ATOM 0 HH11 ARG A 42 5.952 20.787 -2.246 1.00 0.00 H new ATOM 0 HH12 ARG A 42 5.591 22.357 -2.971 1.00 0.00 H new ATOM 0 HH21 ARG A 42 4.853 21.018 -6.176 1.00 0.00 H new ATOM 0 HH22 ARG A 42 4.967 22.488 -5.204 1.00 0.00 H new ATOM 630 N ILE A 43 7.482 14.494 -3.265 1.00 0.00 N ATOM 631 CA ILE A 43 8.874 14.191 -2.977 1.00 0.00 C ATOM 632 C ILE A 43 9.747 15.375 -3.401 1.00 0.00 C ATOM 633 O ILE A 43 9.675 15.826 -4.543 1.00 0.00 O ATOM 634 CB ILE A 43 9.279 12.866 -3.625 1.00 0.00 C ATOM 635 CG1 ILE A 43 8.473 11.702 -3.043 1.00 0.00 C ATOM 636 CG2 ILE A 43 10.787 12.635 -3.505 1.00 0.00 C ATOM 637 CD1 ILE A 43 8.446 10.517 -4.010 1.00 0.00 C ATOM 0 H ILE A 43 7.293 14.753 -4.233 1.00 0.00 H new ATOM 0 HA ILE A 43 9.020 14.053 -1.906 1.00 0.00 H new ATOM 0 HB ILE A 43 9.045 12.920 -4.688 1.00 0.00 H new ATOM 0 HG12 ILE A 43 8.909 11.392 -2.094 1.00 0.00 H new ATOM 0 HG13 ILE A 43 7.454 12.029 -2.834 1.00 0.00 H new ATOM 0 HG21 ILE A 43 11.048 11.686 -3.974 1.00 0.00 H new ATOM 0 HG22 ILE A 43 11.320 13.445 -4.003 1.00 0.00 H new ATOM 0 HG23 ILE A 43 11.069 12.609 -2.452 1.00 0.00 H new ATOM 0 HD11 ILE A 43 7.867 9.704 -3.573 1.00 0.00 H new ATOM 0 HD12 ILE A 43 7.987 10.825 -4.950 1.00 0.00 H new ATOM 0 HD13 ILE A 43 9.465 10.177 -4.198 1.00 0.00 H new ATOM 649 N GLN A 44 10.551 15.843 -2.457 1.00 0.00 N ATOM 650 CA GLN A 44 11.436 16.965 -2.718 1.00 0.00 C ATOM 651 C GLN A 44 12.897 16.516 -2.649 1.00 0.00 C ATOM 652 O GLN A 44 13.179 15.324 -2.540 1.00 0.00 O ATOM 653 CB GLN A 44 11.169 18.113 -1.743 1.00 0.00 C ATOM 654 CG GLN A 44 10.032 19.006 -2.244 1.00 0.00 C ATOM 655 CD GLN A 44 10.490 20.460 -2.367 1.00 0.00 C ATOM 656 OE1 GLN A 44 11.424 20.786 -3.081 1.00 0.00 O ATOM 657 NE2 GLN A 44 9.782 21.314 -1.633 1.00 0.00 N ATOM 0 H GLN A 44 10.608 15.466 -1.511 1.00 0.00 H new ATOM 0 HA GLN A 44 11.236 17.333 -3.724 1.00 0.00 H new ATOM 0 HB2 GLN A 44 10.915 17.710 -0.763 1.00 0.00 H new ATOM 0 HB3 GLN A 44 12.074 18.707 -1.618 1.00 0.00 H new ATOM 0 HG2 GLN A 44 9.683 18.648 -3.213 1.00 0.00 H new ATOM 0 HG3 GLN A 44 9.187 18.944 -1.558 1.00 0.00 H new ATOM 0 HE21 GLN A 44 9.012 20.975 -1.057 1.00 0.00 H new ATOM 0 HE22 GLN A 44 10.009 22.308 -1.647 1.00 0.00 H new ATOM 666 N LYS A 45 13.788 17.495 -2.716 1.00 0.00 N ATOM 667 CA LYS A 45 15.213 17.215 -2.663 1.00 0.00 C ATOM 668 C LYS A 45 15.581 16.736 -1.257 1.00 0.00 C ATOM 669 O LYS A 45 16.619 16.104 -1.065 1.00 0.00 O ATOM 670 CB LYS A 45 16.015 18.431 -3.129 1.00 0.00 C ATOM 671 CG LYS A 45 16.070 19.502 -2.038 1.00 0.00 C ATOM 672 CD LYS A 45 15.152 20.678 -2.378 1.00 0.00 C ATOM 673 CE LYS A 45 15.498 21.907 -1.534 1.00 0.00 C ATOM 674 NZ LYS A 45 16.610 22.663 -2.153 1.00 0.00 N ATOM 0 H LYS A 45 13.550 18.483 -2.806 1.00 0.00 H new ATOM 0 HA LYS A 45 15.470 16.410 -3.352 1.00 0.00 H new ATOM 0 HB2 LYS A 45 17.027 18.124 -3.394 1.00 0.00 H new ATOM 0 HB3 LYS A 45 15.562 18.847 -4.029 1.00 0.00 H new ATOM 0 HG2 LYS A 45 15.773 19.069 -1.083 1.00 0.00 H new ATOM 0 HG3 LYS A 45 17.094 19.857 -1.923 1.00 0.00 H new ATOM 0 HD2 LYS A 45 15.244 20.922 -3.436 1.00 0.00 H new ATOM 0 HD3 LYS A 45 14.114 20.395 -2.206 1.00 0.00 H new ATOM 0 HE2 LYS A 45 14.622 22.549 -1.439 1.00 0.00 H new ATOM 0 HE3 LYS A 45 15.777 21.597 -0.527 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 16.833 23.494 -1.568 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 17.449 22.053 -2.221 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 16.330 22.975 -3.105 1.00 0.00 H new ATOM 688 N HIS A 46 14.712 17.056 -0.310 1.00 0.00 N ATOM 689 CA HIS A 46 14.933 16.667 1.072 1.00 0.00 C ATOM 690 C HIS A 46 14.390 15.255 1.301 1.00 0.00 C ATOM 691 O HIS A 46 14.899 14.519 2.144 1.00 0.00 O ATOM 692 CB HIS A 46 14.330 17.696 2.030 1.00 0.00 C ATOM 693 CG HIS A 46 12.821 17.673 2.085 1.00 0.00 C ATOM 694 ND1 HIS A 46 12.028 18.441 1.251 1.00 0.00 N ATOM 695 CD2 HIS A 46 11.969 16.967 2.883 1.00 0.00 C ATOM 696 CE1 HIS A 46 10.758 18.201 1.542 1.00 0.00 C ATOM 697 NE2 HIS A 46 10.724 17.287 2.554 1.00 0.00 N ATOM 0 H HIS A 46 13.853 17.581 -0.473 1.00 0.00 H new ATOM 0 HA HIS A 46 16.003 16.646 1.280 1.00 0.00 H new ATOM 0 HB2 HIS A 46 14.723 17.519 3.031 1.00 0.00 H new ATOM 0 HB3 HIS A 46 14.657 18.692 1.731 1.00 0.00 H new ATOM 0 HD2 HIS A 46 12.259 16.266 3.652 1.00 0.00 H new ATOM 0 HE1 HIS A 46 9.901 18.650 1.062 1.00 0.00 H new ATOM 0 HE2 HIS A 46 9.880 16.911 2.987 1.00 0.00 H new ATOM 705 N ASP A 47 13.363 14.919 0.534 1.00 0.00 N ATOM 706 CA ASP A 47 12.745 13.608 0.642 1.00 0.00 C ATOM 707 C ASP A 47 13.553 12.599 -0.175 1.00 0.00 C ATOM 708 O ASP A 47 13.372 11.391 -0.032 1.00 0.00 O ATOM 709 CB ASP A 47 11.317 13.626 0.093 1.00 0.00 C ATOM 710 CG ASP A 47 10.407 14.701 0.691 1.00 0.00 C ATOM 711 OD1 ASP A 47 10.712 15.892 0.464 1.00 0.00 O ATOM 712 OD2 ASP A 47 9.428 14.308 1.360 1.00 0.00 O ATOM 0 H ASP A 47 12.943 15.532 -0.165 1.00 0.00 H new ATOM 0 HA ASP A 47 12.723 13.331 1.696 1.00 0.00 H new ATOM 0 HB2 ASP A 47 11.361 13.768 -0.987 1.00 0.00 H new ATOM 0 HB3 ASP A 47 10.864 12.650 0.268 1.00 0.00 H new ATOM 717 N ASP A 48 14.429 13.132 -1.015 1.00 0.00 N ATOM 718 CA ASP A 48 15.266 12.293 -1.855 1.00 0.00 C ATOM 719 C ASP A 48 15.983 11.259 -0.984 1.00 0.00 C ATOM 720 O ASP A 48 16.369 10.195 -1.466 1.00 0.00 O ATOM 721 CB ASP A 48 16.330 13.122 -2.576 1.00 0.00 C ATOM 722 CG ASP A 48 16.826 12.531 -3.897 1.00 0.00 C ATOM 723 OD1 ASP A 48 16.565 11.328 -4.114 1.00 0.00 O ATOM 724 OD2 ASP A 48 17.455 13.295 -4.661 1.00 0.00 O ATOM 0 H ASP A 48 14.577 14.134 -1.131 1.00 0.00 H new ATOM 0 HA ASP A 48 14.625 11.809 -2.592 1.00 0.00 H new ATOM 0 HB2 ASP A 48 15.925 14.116 -2.769 1.00 0.00 H new ATOM 0 HB3 ASP A 48 17.183 13.249 -1.909 1.00 0.00 H new ATOM 729 N VAL A 49 16.140 11.609 0.285 1.00 0.00 N ATOM 730 CA VAL A 49 16.803 10.725 1.228 1.00 0.00 C ATOM 731 C VAL A 49 15.770 9.788 1.856 1.00 0.00 C ATOM 732 O VAL A 49 15.947 8.571 1.853 1.00 0.00 O ATOM 733 CB VAL A 49 17.572 11.547 2.264 1.00 0.00 C ATOM 734 CG1 VAL A 49 18.154 10.648 3.356 1.00 0.00 C ATOM 735 CG2 VAL A 49 18.669 12.381 1.598 1.00 0.00 C ATOM 0 H VAL A 49 15.819 12.492 0.681 1.00 0.00 H new ATOM 0 HA VAL A 49 17.537 10.103 0.716 1.00 0.00 H new ATOM 0 HB VAL A 49 16.869 12.233 2.735 1.00 0.00 H new ATOM 0 HG11 VAL A 49 18.695 11.258 4.079 1.00 0.00 H new ATOM 0 HG12 VAL A 49 17.346 10.119 3.861 1.00 0.00 H new ATOM 0 HG13 VAL A 49 18.836 9.926 2.907 1.00 0.00 H new ATOM 0 HG21 VAL A 49 19.200 12.956 2.357 1.00 0.00 H new ATOM 0 HG22 VAL A 49 19.369 11.720 1.087 1.00 0.00 H new ATOM 0 HG23 VAL A 49 18.220 13.062 0.875 1.00 0.00 H new ATOM 745 N ALA A 50 14.713 10.391 2.380 1.00 0.00 N ATOM 746 CA ALA A 50 13.651 9.625 3.010 1.00 0.00 C ATOM 747 C ALA A 50 13.147 8.560 2.034 1.00 0.00 C ATOM 748 O ALA A 50 12.698 7.494 2.451 1.00 0.00 O ATOM 749 CB ALA A 50 12.538 10.573 3.464 1.00 0.00 C ATOM 0 H ALA A 50 14.569 11.401 2.381 1.00 0.00 H new ATOM 0 HA ALA A 50 14.023 9.110 3.896 1.00 0.00 H new ATOM 0 HB1 ALA A 50 11.741 9.999 3.937 1.00 0.00 H new ATOM 0 HB2 ALA A 50 12.941 11.291 4.178 1.00 0.00 H new ATOM 0 HB3 ALA A 50 12.139 11.105 2.601 1.00 0.00 H new ATOM 755 N VAL A 51 13.240 8.885 0.753 1.00 0.00 N ATOM 756 CA VAL A 51 12.800 7.970 -0.285 1.00 0.00 C ATOM 757 C VAL A 51 13.795 6.813 -0.395 1.00 0.00 C ATOM 758 O VAL A 51 13.399 5.663 -0.578 1.00 0.00 O ATOM 759 CB VAL A 51 12.611 8.724 -1.603 1.00 0.00 C ATOM 760 CG1 VAL A 51 12.250 7.764 -2.738 1.00 0.00 C ATOM 761 CG2 VAL A 51 11.558 9.824 -1.459 1.00 0.00 C ATOM 0 H VAL A 51 13.614 9.770 0.411 1.00 0.00 H new ATOM 0 HA VAL A 51 11.831 7.542 -0.030 1.00 0.00 H new ATOM 0 HB VAL A 51 13.559 9.199 -1.856 1.00 0.00 H new ATOM 0 HG11 VAL A 51 12.121 8.326 -3.663 1.00 0.00 H new ATOM 0 HG12 VAL A 51 13.049 7.034 -2.865 1.00 0.00 H new ATOM 0 HG13 VAL A 51 11.322 7.247 -2.496 1.00 0.00 H new ATOM 0 HG21 VAL A 51 11.443 10.344 -2.410 1.00 0.00 H new ATOM 0 HG22 VAL A 51 10.605 9.380 -1.171 1.00 0.00 H new ATOM 0 HG23 VAL A 51 11.874 10.533 -0.694 1.00 0.00 H new ATOM 771 N GLU A 52 15.069 7.159 -0.280 1.00 0.00 N ATOM 772 CA GLU A 52 16.125 6.164 -0.364 1.00 0.00 C ATOM 773 C GLU A 52 16.142 5.299 0.898 1.00 0.00 C ATOM 774 O GLU A 52 16.423 4.104 0.832 1.00 0.00 O ATOM 775 CB GLU A 52 17.485 6.826 -0.593 1.00 0.00 C ATOM 776 CG GLU A 52 18.288 6.893 0.707 1.00 0.00 C ATOM 777 CD GLU A 52 18.917 5.537 1.034 1.00 0.00 C ATOM 778 OE1 GLU A 52 19.775 5.102 0.236 1.00 0.00 O ATOM 779 OE2 GLU A 52 18.526 4.966 2.075 1.00 0.00 O ATOM 0 H GLU A 52 15.394 8.114 -0.129 1.00 0.00 H new ATOM 0 HA GLU A 52 15.922 5.520 -1.219 1.00 0.00 H new ATOM 0 HB2 GLU A 52 18.045 6.266 -1.342 1.00 0.00 H new ATOM 0 HB3 GLU A 52 17.342 7.832 -0.988 1.00 0.00 H new ATOM 0 HG2 GLU A 52 19.069 7.648 0.618 1.00 0.00 H new ATOM 0 HG3 GLU A 52 17.637 7.203 1.525 1.00 0.00 H new ATOM 786 N GLN A 53 15.836 5.938 2.018 1.00 0.00 N ATOM 787 CA GLN A 53 15.813 5.242 3.293 1.00 0.00 C ATOM 788 C GLN A 53 14.599 4.313 3.369 1.00 0.00 C ATOM 789 O GLN A 53 14.685 3.216 3.920 1.00 0.00 O ATOM 790 CB GLN A 53 15.818 6.233 4.459 1.00 0.00 C ATOM 791 CG GLN A 53 17.230 6.414 5.019 1.00 0.00 C ATOM 792 CD GLN A 53 17.274 6.088 6.513 1.00 0.00 C ATOM 793 OE1 GLN A 53 17.158 4.947 6.930 1.00 0.00 O ATOM 794 NE2 GLN A 53 17.447 7.151 7.293 1.00 0.00 N ATOM 0 H GLN A 53 15.602 6.930 2.069 1.00 0.00 H new ATOM 0 HA GLN A 53 16.716 4.636 3.370 1.00 0.00 H new ATOM 0 HB2 GLN A 53 15.429 7.195 4.125 1.00 0.00 H new ATOM 0 HB3 GLN A 53 15.154 5.877 5.246 1.00 0.00 H new ATOM 0 HG2 GLN A 53 17.924 5.767 4.482 1.00 0.00 H new ATOM 0 HG3 GLN A 53 17.560 7.440 4.857 1.00 0.00 H new ATOM 0 HE21 GLN A 53 17.537 8.079 6.878 1.00 0.00 H new ATOM 0 HE22 GLN A 53 17.490 7.039 8.306 1.00 0.00 H new ATOM 803 N PHE A 54 13.496 4.786 2.807 1.00 0.00 N ATOM 804 CA PHE A 54 12.267 4.011 2.804 1.00 0.00 C ATOM 805 C PHE A 54 12.277 2.971 1.682 1.00 0.00 C ATOM 806 O PHE A 54 11.968 1.802 1.911 1.00 0.00 O ATOM 807 CB PHE A 54 11.120 4.994 2.561 1.00 0.00 C ATOM 808 CG PHE A 54 9.779 4.323 2.255 1.00 0.00 C ATOM 809 CD1 PHE A 54 9.574 3.734 1.046 1.00 0.00 C ATOM 810 CD2 PHE A 54 8.793 4.315 3.191 1.00 0.00 C ATOM 811 CE1 PHE A 54 8.330 3.111 0.762 1.00 0.00 C ATOM 812 CE2 PHE A 54 7.549 3.692 2.907 1.00 0.00 C ATOM 813 CZ PHE A 54 7.344 3.103 1.698 1.00 0.00 C ATOM 0 H PHE A 54 13.428 5.696 2.351 1.00 0.00 H new ATOM 0 HA PHE A 54 12.158 3.483 3.751 1.00 0.00 H new ATOM 0 HB2 PHE A 54 11.005 5.627 3.441 1.00 0.00 H new ATOM 0 HB3 PHE A 54 11.385 5.648 1.730 1.00 0.00 H new ATOM 0 HD1 PHE A 54 10.357 3.740 0.302 1.00 0.00 H new ATOM 0 HD2 PHE A 54 8.956 4.783 4.151 1.00 0.00 H new ATOM 0 HE1 PHE A 54 8.167 2.643 -0.198 1.00 0.00 H new ATOM 0 HE2 PHE A 54 6.766 3.686 3.651 1.00 0.00 H new ATOM 0 HZ PHE A 54 6.398 2.629 1.482 1.00 0.00 H new ATOM 823 N CYS A 55 12.636 3.433 0.493 1.00 0.00 N ATOM 824 CA CYS A 55 12.690 2.557 -0.665 1.00 0.00 C ATOM 825 C CYS A 55 13.498 1.314 -0.290 1.00 0.00 C ATOM 826 O CYS A 55 13.300 0.244 -0.863 1.00 0.00 O ATOM 827 CB CYS A 55 13.274 3.270 -1.887 1.00 0.00 C ATOM 828 SG CYS A 55 12.008 4.352 -2.645 1.00 0.00 S ATOM 0 H CYS A 55 12.892 4.403 0.307 1.00 0.00 H new ATOM 0 HA CYS A 55 11.680 2.261 -0.947 1.00 0.00 H new ATOM 0 HB2 CYS A 55 14.141 3.862 -1.593 1.00 0.00 H new ATOM 0 HB3 CYS A 55 13.620 2.537 -2.615 1.00 0.00 H new ATOM 0 HG CYS A 55 11.221 3.639 -3.395 1.00 0.00 H new ATOM 834 N ALA A 56 14.393 1.496 0.671 1.00 0.00 N ATOM 835 CA ALA A 56 15.232 0.403 1.130 1.00 0.00 C ATOM 836 C ALA A 56 14.405 -0.532 2.015 1.00 0.00 C ATOM 837 O ALA A 56 14.231 -1.706 1.691 1.00 0.00 O ATOM 838 CB ALA A 56 16.453 0.967 1.859 1.00 0.00 C ATOM 0 H ALA A 56 14.555 2.385 1.144 1.00 0.00 H new ATOM 0 HA ALA A 56 15.598 -0.180 0.285 1.00 0.00 H new ATOM 0 HB1 ALA A 56 17.082 0.146 2.203 1.00 0.00 H new ATOM 0 HB2 ALA A 56 17.022 1.600 1.179 1.00 0.00 H new ATOM 0 HB3 ALA A 56 16.125 1.557 2.715 1.00 0.00 H new ATOM 844 N GLU A 57 13.917 0.024 3.114 1.00 0.00 N ATOM 845 CA GLU A 57 13.112 -0.746 4.048 1.00 0.00 C ATOM 846 C GLU A 57 12.046 -1.545 3.297 1.00 0.00 C ATOM 847 O GLU A 57 12.055 -2.775 3.320 1.00 0.00 O ATOM 848 CB GLU A 57 12.476 0.163 5.102 1.00 0.00 C ATOM 849 CG GLU A 57 12.974 -0.191 6.504 1.00 0.00 C ATOM 850 CD GLU A 57 11.812 -0.266 7.496 1.00 0.00 C ATOM 851 OE1 GLU A 57 11.303 0.817 7.857 1.00 0.00 O ATOM 852 OE2 GLU A 57 11.459 -1.405 7.872 1.00 0.00 O ATOM 0 H GLU A 57 14.063 0.998 3.379 1.00 0.00 H new ATOM 0 HA GLU A 57 13.765 -1.448 4.567 1.00 0.00 H new ATOM 0 HB2 GLU A 57 12.713 1.204 4.880 1.00 0.00 H new ATOM 0 HB3 GLU A 57 11.391 0.067 5.063 1.00 0.00 H new ATOM 0 HG2 GLU A 57 13.496 -1.147 6.477 1.00 0.00 H new ATOM 0 HG3 GLU A 57 13.694 0.556 6.838 1.00 0.00 H new ATOM 859 N THR A 58 11.152 -0.814 2.648 1.00 0.00 N ATOM 860 CA THR A 58 10.080 -1.439 1.891 1.00 0.00 C ATOM 861 C THR A 58 10.650 -2.209 0.698 1.00 0.00 C ATOM 862 O THR A 58 10.328 -3.379 0.498 1.00 0.00 O ATOM 863 CB THR A 58 9.085 -0.348 1.491 1.00 0.00 C ATOM 864 OG1 THR A 58 9.901 0.792 1.241 1.00 0.00 O ATOM 865 CG2 THR A 58 8.190 0.082 2.655 1.00 0.00 C ATOM 0 H THR A 58 11.148 0.206 2.631 1.00 0.00 H new ATOM 0 HA THR A 58 9.549 -2.178 2.492 1.00 0.00 H new ATOM 0 HB THR A 58 8.465 -0.706 0.669 1.00 0.00 H new ATOM 0 HG1 THR A 58 9.444 1.598 1.560 1.00 0.00 H new ATOM 0 HG21 THR A 58 7.502 0.858 2.318 1.00 0.00 H new ATOM 0 HG22 THR A 58 7.621 -0.776 3.013 1.00 0.00 H new ATOM 0 HG23 THR A 58 8.808 0.471 3.464 1.00 0.00 H new ATOM 873 N GLY A 59 11.486 -1.520 -0.065 1.00 0.00 N ATOM 874 CA GLY A 59 12.103 -2.124 -1.234 1.00 0.00 C ATOM 875 C GLY A 59 11.554 -1.511 -2.523 1.00 0.00 C ATOM 876 O GLY A 59 11.996 -1.858 -3.617 1.00 0.00 O ATOM 0 H GLY A 59 11.751 -0.549 0.103 1.00 0.00 H new ATOM 0 HA2 GLY A 59 13.183 -1.984 -1.192 1.00 0.00 H new ATOM 0 HA3 GLY A 59 11.920 -3.199 -1.232 1.00 0.00 H new ATOM 880 N VAL A 60 10.598 -0.609 -2.351 1.00 0.00 N ATOM 881 CA VAL A 60 9.984 0.056 -3.488 1.00 0.00 C ATOM 882 C VAL A 60 10.981 1.046 -4.094 1.00 0.00 C ATOM 883 O VAL A 60 11.761 1.666 -3.373 1.00 0.00 O ATOM 884 CB VAL A 60 8.671 0.716 -3.061 1.00 0.00 C ATOM 885 CG1 VAL A 60 8.006 1.427 -4.241 1.00 0.00 C ATOM 886 CG2 VAL A 60 7.723 -0.307 -2.432 1.00 0.00 C ATOM 0 H VAL A 60 10.234 -0.323 -1.442 1.00 0.00 H new ATOM 0 HA VAL A 60 9.732 -0.667 -4.263 1.00 0.00 H new ATOM 0 HB VAL A 60 8.903 1.467 -2.305 1.00 0.00 H new ATOM 0 HG11 VAL A 60 7.075 1.887 -3.911 1.00 0.00 H new ATOM 0 HG12 VAL A 60 8.675 2.197 -4.626 1.00 0.00 H new ATOM 0 HG13 VAL A 60 7.794 0.704 -5.029 1.00 0.00 H new ATOM 0 HG21 VAL A 60 6.798 0.188 -2.137 1.00 0.00 H new ATOM 0 HG22 VAL A 60 7.501 -1.091 -3.156 1.00 0.00 H new ATOM 0 HG23 VAL A 60 8.194 -0.748 -1.554 1.00 0.00 H new ATOM 896 N ARG A 61 10.922 1.163 -5.412 1.00 0.00 N ATOM 897 CA ARG A 61 11.810 2.066 -6.124 1.00 0.00 C ATOM 898 C ARG A 61 11.290 3.502 -6.033 1.00 0.00 C ATOM 899 O ARG A 61 10.096 3.722 -5.832 1.00 0.00 O ATOM 900 CB ARG A 61 11.937 1.669 -7.596 1.00 0.00 C ATOM 901 CG ARG A 61 12.612 0.303 -7.739 1.00 0.00 C ATOM 902 CD ARG A 61 13.101 0.081 -9.171 1.00 0.00 C ATOM 903 NE ARG A 61 14.053 -1.051 -9.211 1.00 0.00 N ATOM 904 CZ ARG A 61 14.533 -1.590 -10.340 1.00 0.00 C ATOM 905 NH1 ARG A 61 14.153 -1.102 -11.529 1.00 0.00 N ATOM 906 NH2 ARG A 61 15.394 -2.615 -10.280 1.00 0.00 N ATOM 0 H ARG A 61 10.273 0.647 -6.006 1.00 0.00 H new ATOM 0 HA ARG A 61 12.793 2.001 -5.657 1.00 0.00 H new ATOM 0 HB2 ARG A 61 10.949 1.640 -8.055 1.00 0.00 H new ATOM 0 HB3 ARG A 61 12.515 2.422 -8.131 1.00 0.00 H new ATOM 0 HG2 ARG A 61 13.453 0.235 -7.049 1.00 0.00 H new ATOM 0 HG3 ARG A 61 11.910 -0.484 -7.464 1.00 0.00 H new ATOM 0 HD2 ARG A 61 12.254 -0.122 -9.826 1.00 0.00 H new ATOM 0 HD3 ARG A 61 13.582 0.985 -9.544 1.00 0.00 H new ATOM 0 HE ARG A 61 14.363 -1.446 -8.323 1.00 0.00 H new ATOM 0 HH11 ARG A 61 13.499 -0.321 -11.574 1.00 0.00 H new ATOM 0 HH12 ARG A 61 14.518 -1.512 -12.389 1.00 0.00 H new ATOM 0 HH21 ARG A 61 15.684 -2.985 -9.375 1.00 0.00 H new ATOM 0 HH22 ARG A 61 15.759 -3.025 -11.139 1.00 0.00 H new ATOM 920 N ARG A 62 12.211 4.442 -6.186 1.00 0.00 N ATOM 921 CA ARG A 62 11.860 5.851 -6.124 1.00 0.00 C ATOM 922 C ARG A 62 10.817 6.186 -7.193 1.00 0.00 C ATOM 923 O ARG A 62 9.857 6.905 -6.924 1.00 0.00 O ATOM 924 CB ARG A 62 13.092 6.735 -6.328 1.00 0.00 C ATOM 925 CG ARG A 62 12.700 8.212 -6.404 1.00 0.00 C ATOM 926 CD ARG A 62 13.875 9.067 -6.884 1.00 0.00 C ATOM 927 NE ARG A 62 13.408 10.054 -7.882 1.00 0.00 N ATOM 928 CZ ARG A 62 13.211 9.776 -9.178 1.00 0.00 C ATOM 929 NH1 ARG A 62 13.438 8.539 -9.640 1.00 0.00 N ATOM 930 NH2 ARG A 62 12.786 10.735 -10.012 1.00 0.00 N ATOM 0 H ARG A 62 13.200 4.256 -6.353 1.00 0.00 H new ATOM 0 HA ARG A 62 11.447 6.047 -5.135 1.00 0.00 H new ATOM 0 HB2 ARG A 62 13.793 6.583 -5.507 1.00 0.00 H new ATOM 0 HB3 ARG A 62 13.606 6.444 -7.244 1.00 0.00 H new ATOM 0 HG2 ARG A 62 11.856 8.333 -7.083 1.00 0.00 H new ATOM 0 HG3 ARG A 62 12.372 8.556 -5.423 1.00 0.00 H new ATOM 0 HD2 ARG A 62 14.331 9.581 -6.038 1.00 0.00 H new ATOM 0 HD3 ARG A 62 14.644 8.430 -7.322 1.00 0.00 H new ATOM 0 HE ARG A 62 13.224 11.006 -7.564 1.00 0.00 H new ATOM 0 HH11 ARG A 62 13.761 7.809 -9.005 1.00 0.00 H new ATOM 0 HH12 ARG A 62 13.288 8.328 -10.626 1.00 0.00 H new ATOM 0 HH21 ARG A 62 12.612 11.677 -9.660 1.00 0.00 H new ATOM 0 HH22 ARG A 62 12.636 10.523 -10.998 1.00 0.00 H new ATOM 944 N GLN A 63 11.043 5.648 -8.383 1.00 0.00 N ATOM 945 CA GLN A 63 10.135 5.881 -9.493 1.00 0.00 C ATOM 946 C GLN A 63 8.792 5.196 -9.233 1.00 0.00 C ATOM 947 O GLN A 63 7.737 5.769 -9.502 1.00 0.00 O ATOM 948 CB GLN A 63 10.748 5.403 -10.811 1.00 0.00 C ATOM 949 CG GLN A 63 10.566 3.893 -10.985 1.00 0.00 C ATOM 950 CD GLN A 63 11.377 3.377 -12.175 1.00 0.00 C ATOM 951 OE1 GLN A 63 10.959 3.441 -13.319 1.00 0.00 O ATOM 952 NE2 GLN A 63 12.558 2.862 -11.842 1.00 0.00 N ATOM 0 H GLN A 63 11.841 5.052 -8.602 1.00 0.00 H new ATOM 0 HA GLN A 63 9.963 6.954 -9.578 1.00 0.00 H new ATOM 0 HB2 GLN A 63 10.281 5.928 -11.645 1.00 0.00 H new ATOM 0 HB3 GLN A 63 11.809 5.650 -10.833 1.00 0.00 H new ATOM 0 HG2 GLN A 63 10.879 3.378 -10.077 1.00 0.00 H new ATOM 0 HG3 GLN A 63 9.510 3.665 -11.133 1.00 0.00 H new ATOM 0 HE21 GLN A 63 12.847 2.839 -10.864 1.00 0.00 H new ATOM 0 HE22 GLN A 63 13.174 2.490 -12.565 1.00 0.00 H new ATOM 961 N VAL A 64 8.874 3.981 -8.712 1.00 0.00 N ATOM 962 CA VAL A 64 7.677 3.213 -8.413 1.00 0.00 C ATOM 963 C VAL A 64 6.926 3.877 -7.257 1.00 0.00 C ATOM 964 O VAL A 64 5.716 4.080 -7.334 1.00 0.00 O ATOM 965 CB VAL A 64 8.049 1.756 -8.126 1.00 0.00 C ATOM 966 CG1 VAL A 64 6.797 0.904 -7.909 1.00 0.00 C ATOM 967 CG2 VAL A 64 8.916 1.181 -9.247 1.00 0.00 C ATOM 0 H VAL A 64 9.750 3.509 -8.489 1.00 0.00 H new ATOM 0 HA VAL A 64 7.006 3.201 -9.272 1.00 0.00 H new ATOM 0 HB VAL A 64 8.633 1.734 -7.206 1.00 0.00 H new ATOM 0 HG11 VAL A 64 7.089 -0.127 -7.707 1.00 0.00 H new ATOM 0 HG12 VAL A 64 6.234 1.294 -7.062 1.00 0.00 H new ATOM 0 HG13 VAL A 64 6.175 0.936 -8.804 1.00 0.00 H new ATOM 0 HG21 VAL A 64 9.166 0.145 -9.018 1.00 0.00 H new ATOM 0 HG22 VAL A 64 8.368 1.223 -10.188 1.00 0.00 H new ATOM 0 HG23 VAL A 64 9.832 1.765 -9.334 1.00 0.00 H new ATOM 977 N LEU A 65 7.676 4.197 -6.212 1.00 0.00 N ATOM 978 CA LEU A 65 7.096 4.833 -5.042 1.00 0.00 C ATOM 979 C LEU A 65 6.506 6.187 -5.443 1.00 0.00 C ATOM 980 O LEU A 65 5.415 6.547 -5.004 1.00 0.00 O ATOM 981 CB LEU A 65 8.126 4.922 -3.914 1.00 0.00 C ATOM 982 CG LEU A 65 7.563 4.951 -2.492 1.00 0.00 C ATOM 983 CD1 LEU A 65 8.643 5.347 -1.483 1.00 0.00 C ATOM 984 CD2 LEU A 65 6.337 5.862 -2.407 1.00 0.00 C ATOM 0 H LEU A 65 8.680 4.027 -6.152 1.00 0.00 H new ATOM 0 HA LEU A 65 6.277 4.231 -4.648 1.00 0.00 H new ATOM 0 HB2 LEU A 65 8.802 4.071 -3.998 1.00 0.00 H new ATOM 0 HB3 LEU A 65 8.724 5.821 -4.065 1.00 0.00 H new ATOM 0 HG LEU A 65 7.235 3.944 -2.233 1.00 0.00 H new ATOM 0 HD11 LEU A 65 8.217 5.360 -0.480 1.00 0.00 H new ATOM 0 HD12 LEU A 65 9.459 4.625 -1.521 1.00 0.00 H new ATOM 0 HD13 LEU A 65 9.024 6.338 -1.728 1.00 0.00 H new ATOM 0 HD21 LEU A 65 5.956 5.865 -1.386 1.00 0.00 H new ATOM 0 HD22 LEU A 65 6.617 6.876 -2.693 1.00 0.00 H new ATOM 0 HD23 LEU A 65 5.564 5.495 -3.082 1.00 0.00 H new ATOM 996 N LYS A 66 7.253 6.899 -6.274 1.00 0.00 N ATOM 997 CA LYS A 66 6.817 8.205 -6.739 1.00 0.00 C ATOM 998 C LYS A 66 5.605 8.036 -7.657 1.00 0.00 C ATOM 999 O LYS A 66 4.571 8.669 -7.449 1.00 0.00 O ATOM 1000 CB LYS A 66 7.980 8.958 -7.388 1.00 0.00 C ATOM 1001 CG LYS A 66 7.641 10.439 -7.571 1.00 0.00 C ATOM 1002 CD LYS A 66 8.912 11.282 -7.690 1.00 0.00 C ATOM 1003 CE LYS A 66 9.318 11.458 -9.154 1.00 0.00 C ATOM 1004 NZ LYS A 66 8.588 12.593 -9.762 1.00 0.00 N ATOM 0 H LYS A 66 8.157 6.597 -6.637 1.00 0.00 H new ATOM 0 HA LYS A 66 6.497 8.822 -5.899 1.00 0.00 H new ATOM 0 HB2 LYS A 66 8.872 8.859 -6.769 1.00 0.00 H new ATOM 0 HB3 LYS A 66 8.212 8.512 -8.355 1.00 0.00 H new ATOM 0 HG2 LYS A 66 7.030 10.568 -8.464 1.00 0.00 H new ATOM 0 HG3 LYS A 66 7.047 10.787 -6.726 1.00 0.00 H new ATOM 0 HD2 LYS A 66 8.749 12.259 -7.234 1.00 0.00 H new ATOM 0 HD3 LYS A 66 9.722 10.804 -7.139 1.00 0.00 H new ATOM 0 HE2 LYS A 66 10.392 11.631 -9.221 1.00 0.00 H new ATOM 0 HE3 LYS A 66 9.107 10.544 -9.708 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 8.876 12.698 -10.756 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 7.565 12.413 -9.715 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 8.810 13.466 -9.243 1.00 0.00 H new ATOM 1018 N ILE A 67 5.772 7.179 -8.654 1.00 0.00 N ATOM 1019 CA ILE A 67 4.704 6.919 -9.604 1.00 0.00 C ATOM 1020 C ILE A 67 3.488 6.366 -8.859 1.00 0.00 C ATOM 1021 O ILE A 67 2.355 6.523 -9.312 1.00 0.00 O ATOM 1022 CB ILE A 67 5.200 6.011 -10.732 1.00 0.00 C ATOM 1023 CG1 ILE A 67 6.351 6.667 -11.497 1.00 0.00 C ATOM 1024 CG2 ILE A 67 4.051 5.610 -11.658 1.00 0.00 C ATOM 1025 CD1 ILE A 67 7.306 5.612 -12.060 1.00 0.00 C ATOM 0 H ILE A 67 6.631 6.656 -8.824 1.00 0.00 H new ATOM 0 HA ILE A 67 4.389 7.844 -10.086 1.00 0.00 H new ATOM 0 HB ILE A 67 5.589 5.095 -10.288 1.00 0.00 H new ATOM 0 HG12 ILE A 67 5.953 7.274 -12.310 1.00 0.00 H new ATOM 0 HG13 ILE A 67 6.896 7.340 -10.835 1.00 0.00 H new ATOM 0 HG21 ILE A 67 4.431 4.965 -12.451 1.00 0.00 H new ATOM 0 HG22 ILE A 67 3.293 5.075 -11.086 1.00 0.00 H new ATOM 0 HG23 ILE A 67 3.609 6.504 -12.098 1.00 0.00 H new ATOM 0 HD11 ILE A 67 8.115 6.104 -12.599 1.00 0.00 H new ATOM 0 HD12 ILE A 67 7.721 5.023 -11.242 1.00 0.00 H new ATOM 0 HD13 ILE A 67 6.763 4.956 -12.740 1.00 0.00 H new ATOM 1037 N TRP A 68 3.764 5.731 -7.730 1.00 0.00 N ATOM 1038 CA TRP A 68 2.706 5.153 -6.918 1.00 0.00 C ATOM 1039 C TRP A 68 2.005 6.293 -6.175 1.00 0.00 C ATOM 1040 O TRP A 68 0.780 6.309 -6.072 1.00 0.00 O ATOM 1041 CB TRP A 68 3.259 4.079 -5.980 1.00 0.00 C ATOM 1042 CG TRP A 68 2.216 3.484 -5.031 1.00 0.00 C ATOM 1043 CD1 TRP A 68 1.612 2.291 -5.114 1.00 0.00 C ATOM 1044 CD2 TRP A 68 1.677 4.107 -3.847 1.00 0.00 C ATOM 1045 NE1 TRP A 68 0.725 2.101 -4.073 1.00 0.00 N ATOM 1046 CE2 TRP A 68 0.767 3.240 -3.278 1.00 0.00 C ATOM 1047 CE3 TRP A 68 1.949 5.362 -3.274 1.00 0.00 C ATOM 1048 CZ2 TRP A 68 0.055 3.534 -2.109 1.00 0.00 C ATOM 1049 CZ3 TRP A 68 1.230 5.641 -2.106 1.00 0.00 C ATOM 1050 CH2 TRP A 68 0.310 4.779 -1.521 1.00 0.00 C ATOM 0 H TRP A 68 4.705 5.604 -7.358 1.00 0.00 H new ATOM 0 HA TRP A 68 1.974 4.643 -7.544 1.00 0.00 H new ATOM 0 HB2 TRP A 68 3.691 3.276 -6.578 1.00 0.00 H new ATOM 0 HB3 TRP A 68 4.069 4.508 -5.390 1.00 0.00 H new ATOM 0 HD1 TRP A 68 1.796 1.569 -5.896 1.00 0.00 H new ATOM 0 HE1 TRP A 68 0.146 1.276 -3.916 1.00 0.00 H new ATOM 0 HE3 TRP A 68 2.657 6.056 -3.702 1.00 0.00 H new ATOM 0 HZ2 TRP A 68 -0.653 2.838 -1.684 1.00 0.00 H new ATOM 0 HZ3 TRP A 68 1.402 6.593 -1.626 1.00 0.00 H new ATOM 0 HH2 TRP A 68 -0.206 5.068 -0.617 1.00 0.00 H new ATOM 1061 N MET A 69 2.813 7.217 -5.678 1.00 0.00 N ATOM 1062 CA MET A 69 2.286 8.357 -4.948 1.00 0.00 C ATOM 1063 C MET A 69 1.485 9.277 -5.871 1.00 0.00 C ATOM 1064 O MET A 69 0.443 9.802 -5.480 1.00 0.00 O ATOM 1065 CB MET A 69 3.441 9.142 -4.322 1.00 0.00 C ATOM 1066 CG MET A 69 3.991 8.420 -3.090 1.00 0.00 C ATOM 1067 SD MET A 69 4.321 9.596 -1.790 1.00 0.00 S ATOM 1068 CE MET A 69 5.648 10.524 -2.541 1.00 0.00 C ATOM 0 H MET A 69 3.829 7.200 -5.766 1.00 0.00 H new ATOM 0 HA MET A 69 1.621 7.988 -4.167 1.00 0.00 H new ATOM 0 HB2 MET A 69 4.236 9.273 -5.056 1.00 0.00 H new ATOM 0 HB3 MET A 69 3.098 10.138 -4.041 1.00 0.00 H new ATOM 0 HG2 MET A 69 3.274 7.675 -2.744 1.00 0.00 H new ATOM 0 HG3 MET A 69 4.905 7.886 -3.349 1.00 0.00 H new ATOM 0 HE1 MET A 69 6.568 10.364 -1.978 1.00 0.00 H new ATOM 0 HE2 MET A 69 5.789 10.190 -3.569 1.00 0.00 H new ATOM 0 HE3 MET A 69 5.399 11.585 -2.535 1.00 0.00 H new ATOM 1078 N HIS A 70 2.001 9.445 -7.080 1.00 0.00 N ATOM 1079 CA HIS A 70 1.347 10.292 -8.062 1.00 0.00 C ATOM 1080 C HIS A 70 0.042 9.636 -8.518 1.00 0.00 C ATOM 1081 O HIS A 70 -1.014 10.267 -8.497 1.00 0.00 O ATOM 1082 CB HIS A 70 2.291 10.604 -9.225 1.00 0.00 C ATOM 1083 CG HIS A 70 1.813 11.721 -10.122 1.00 0.00 C ATOM 1084 ND1 HIS A 70 1.901 13.056 -9.767 1.00 0.00 N ATOM 1085 CD2 HIS A 70 1.244 11.688 -11.361 1.00 0.00 C ATOM 1086 CE1 HIS A 70 1.403 13.785 -10.755 1.00 0.00 C ATOM 1087 NE2 HIS A 70 0.996 12.935 -11.742 1.00 0.00 N ATOM 0 H HIS A 70 2.865 9.008 -7.401 1.00 0.00 H new ATOM 0 HA HIS A 70 1.093 11.250 -7.609 1.00 0.00 H new ATOM 0 HB2 HIS A 70 3.270 10.867 -8.824 1.00 0.00 H new ATOM 0 HB3 HIS A 70 2.424 9.703 -9.824 1.00 0.00 H new ATOM 0 HD2 HIS A 70 1.031 10.798 -11.935 1.00 0.00 H new ATOM 0 HE1 HIS A 70 1.332 14.862 -10.776 1.00 0.00 H new ATOM 0 HE2 HIS A 70 0.571 13.212 -12.627 1.00 0.00 H new ATOM 1095 N ASN A 71 0.158 8.379 -8.919 1.00 0.00 N ATOM 1096 CA ASN A 71 -1.000 7.631 -9.379 1.00 0.00 C ATOM 1097 C ASN A 71 -2.114 7.730 -8.335 1.00 0.00 C ATOM 1098 O ASN A 71 -3.293 7.617 -8.667 1.00 0.00 O ATOM 1099 CB ASN A 71 -0.660 6.151 -9.568 1.00 0.00 C ATOM 1100 CG ASN A 71 -0.176 5.878 -10.994 1.00 0.00 C ATOM 1101 OD1 ASN A 71 -0.745 5.088 -11.729 1.00 0.00 O ATOM 1102 ND2 ASN A 71 0.902 6.574 -11.342 1.00 0.00 N ATOM 0 H ASN A 71 1.036 7.859 -8.935 1.00 0.00 H new ATOM 0 HA ASN A 71 -1.317 8.053 -10.333 1.00 0.00 H new ATOM 0 HB2 ASN A 71 0.111 5.857 -8.856 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -1.539 5.542 -9.355 1.00 0.00 H new ATOM 0 HD21 ASN A 71 1.302 6.463 -12.274 1.00 0.00 H new ATOM 0 HD22 ASN A 71 1.329 7.219 -10.677 1.00 0.00 H new ATOM 1109 N ASN A 72 -1.700 7.940 -7.093 1.00 0.00 N ATOM 1110 CA ASN A 72 -2.649 8.056 -5.998 1.00 0.00 C ATOM 1111 C ASN A 72 -3.184 9.488 -5.942 1.00 0.00 C ATOM 1112 O ASN A 72 -4.320 9.745 -6.338 1.00 0.00 O ATOM 1113 CB ASN A 72 -1.981 7.748 -4.657 1.00 0.00 C ATOM 1114 CG ASN A 72 -2.142 6.272 -4.289 1.00 0.00 C ATOM 1115 OD1 ASN A 72 -3.113 5.861 -3.675 1.00 0.00 O ATOM 1116 ND2 ASN A 72 -1.139 5.500 -4.699 1.00 0.00 N ATOM 0 H ASN A 72 -0.721 8.033 -6.821 1.00 0.00 H new ATOM 0 HA ASN A 72 -3.455 7.343 -6.172 1.00 0.00 H new ATOM 0 HB2 ASN A 72 -0.922 8.000 -4.708 1.00 0.00 H new ATOM 0 HB3 ASN A 72 -2.419 8.371 -3.877 1.00 0.00 H new ATOM 0 HD21 ASN A 72 -1.153 4.499 -4.504 1.00 0.00 H new ATOM 0 HD22 ASN A 72 -0.356 5.909 -5.209 1.00 0.00 H new ATOM 1123 N LYS A 73 -2.341 10.382 -5.448 1.00 0.00 N ATOM 1124 CA LYS A 73 -2.716 11.782 -5.336 1.00 0.00 C ATOM 1125 C LYS A 73 -3.457 12.211 -6.604 1.00 0.00 C ATOM 1126 O LYS A 73 -3.133 11.756 -7.700 1.00 0.00 O ATOM 1127 CB LYS A 73 -1.490 12.641 -5.020 1.00 0.00 C ATOM 1128 CG LYS A 73 -0.766 13.057 -6.302 1.00 0.00 C ATOM 1129 CD LYS A 73 0.504 13.848 -5.983 1.00 0.00 C ATOM 1130 CE LYS A 73 0.268 15.352 -6.140 1.00 0.00 C ATOM 1131 NZ LYS A 73 1.542 16.050 -6.421 1.00 0.00 N ATOM 0 H LYS A 73 -1.400 10.165 -5.121 1.00 0.00 H new ATOM 0 HA LYS A 73 -3.402 11.927 -4.502 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -1.797 13.529 -4.467 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -0.808 12.085 -4.377 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -0.510 12.171 -6.883 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -1.430 13.662 -6.919 1.00 0.00 H new ATOM 0 HD2 LYS A 73 0.825 13.631 -4.964 1.00 0.00 H new ATOM 0 HD3 LYS A 73 1.310 13.532 -6.646 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -0.439 15.533 -6.950 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -0.180 15.753 -5.231 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 1.364 17.069 -6.525 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 2.205 15.893 -5.635 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 1.954 15.679 -7.301 1.00 0.00 H new