USER MOD reduce.3.24.130724 H: found=0, std=0, add=527, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 531 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 Set 1.1: A 45 SER OG : rot -99:sc= 1.12 USER MOD Set 1.2: A 62 ASN : amide:sc= -3.96! C(o=-2.8!,f=-6.7!) USER MOD Single : A 29 THR OG1 : rot -39:sc= 0.372 USER MOD Single : A 31 CYS SG : rot 180:sc= -3.58! USER MOD Single : A 32 THR OG1 : rot 180:sc= 0.0351 USER MOD Single : A 34 THR OG1 : rot 180:sc= 0.00279 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 THR OG1 : rot 180:sc= 0 USER MOD Single : A 75 THR OG1 : rot 180:sc= 0.607! USER MOD Single : A 77 GLN : amide:sc= -5.63! K(o=-5.6!,f=-4.9) USER MOD Single : A 84 GLN : amide:sc= -0.711 K(o=-0.71,f=-1.6!) USER MOD Single : A 88 THR OG1 : rot -128:sc= -5.47! USER MOD Single : A 90 MET CE :methyl -135:sc= -12.3! (180deg=-17.3!) USER MOD Single : A 91 GLN : amide:sc= -2.17! X(o=-2.2!,f=-2.2) USER MOD Single : A 94 THR OG1 : rot -112:sc= -3.96! USER MOD Single : A 100 ASN : amide:sc= 0.888! K(o=0.89!,f=-1.2) USER MOD Single : A 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 111 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 349 N THR A 29 -4.098 -8.692 -13.200 1.00 0.00 N ATOM 350 CA THR A 29 -3.994 -7.218 -13.395 1.00 0.00 C ATOM 351 C THR A 29 -2.925 -6.632 -12.473 1.00 0.00 C ATOM 352 O THR A 29 -2.852 -6.956 -11.304 1.00 0.00 O ATOM 353 CB THR A 29 -5.345 -6.568 -13.088 1.00 0.00 C ATOM 354 OG1 THR A 29 -5.873 -7.122 -11.891 1.00 0.00 O ATOM 355 CG2 THR A 29 -6.310 -6.832 -14.245 1.00 0.00 C ATOM 0 HA THR A 29 -3.714 -7.018 -14.429 1.00 0.00 H new ATOM 0 HB THR A 29 -5.215 -5.493 -12.963 1.00 0.00 H new ATOM 0 HG1 THR A 29 -5.684 -8.083 -11.864 1.00 0.00 H new ATOM 0 HG21 THR A 29 -7.273 -6.370 -14.028 1.00 0.00 H new ATOM 0 HG22 THR A 29 -5.902 -6.408 -15.163 1.00 0.00 H new ATOM 0 HG23 THR A 29 -6.443 -7.907 -14.370 1.00 0.00 H new ATOM 363 N VAL A 30 -2.101 -5.760 -12.991 1.00 0.00 N ATOM 364 CA VAL A 30 -1.042 -5.137 -12.145 1.00 0.00 C ATOM 365 C VAL A 30 -1.551 -3.797 -11.614 1.00 0.00 C ATOM 366 O VAL A 30 -2.330 -3.120 -12.255 1.00 0.00 O ATOM 367 CB VAL A 30 0.219 -4.902 -12.983 1.00 0.00 C ATOM 368 CG1 VAL A 30 1.156 -3.936 -12.251 1.00 0.00 C ATOM 369 CG2 VAL A 30 0.939 -6.233 -13.208 1.00 0.00 C ATOM 0 H VAL A 30 -2.116 -5.452 -13.963 1.00 0.00 H new ATOM 0 HA VAL A 30 -0.804 -5.801 -11.314 1.00 0.00 H new ATOM 0 HB VAL A 30 -0.065 -4.472 -13.944 1.00 0.00 H new ATOM 0 HG11 VAL A 30 2.051 -3.772 -12.851 1.00 0.00 H new ATOM 0 HG12 VAL A 30 0.647 -2.985 -12.092 1.00 0.00 H new ATOM 0 HG13 VAL A 30 1.438 -4.362 -11.288 1.00 0.00 H new ATOM 0 HG21 VAL A 30 1.836 -6.065 -13.804 1.00 0.00 H new ATOM 0 HG22 VAL A 30 1.218 -6.663 -12.246 1.00 0.00 H new ATOM 0 HG23 VAL A 30 0.277 -6.920 -13.734 1.00 0.00 H new ATOM 379 N CYS A 31 -1.114 -3.411 -10.451 1.00 0.00 N ATOM 380 CA CYS A 31 -1.571 -2.109 -9.882 1.00 0.00 C ATOM 381 C CYS A 31 -0.361 -1.295 -9.418 1.00 0.00 C ATOM 382 O CYS A 31 0.004 -1.312 -8.259 1.00 0.00 O ATOM 383 CB CYS A 31 -2.504 -2.357 -8.693 1.00 0.00 C ATOM 384 SG CYS A 31 -3.500 -3.839 -8.997 1.00 0.00 S ATOM 0 H CYS A 31 -0.462 -3.936 -9.869 1.00 0.00 H new ATOM 0 HA CYS A 31 -2.109 -1.555 -10.652 1.00 0.00 H new ATOM 0 HB2 CYS A 31 -1.921 -2.480 -7.780 1.00 0.00 H new ATOM 0 HB3 CYS A 31 -3.154 -1.495 -8.542 1.00 0.00 H new ATOM 0 HG CYS A 31 -4.289 -4.047 -7.985 1.00 0.00 H new ATOM 390 N THR A 32 0.259 -0.571 -10.311 1.00 0.00 N ATOM 391 CA THR A 32 1.437 0.252 -9.917 1.00 0.00 C ATOM 392 C THR A 32 0.944 1.470 -9.133 1.00 0.00 C ATOM 393 O THR A 32 0.149 2.250 -9.620 1.00 0.00 O ATOM 394 CB THR A 32 2.182 0.717 -11.167 1.00 0.00 C ATOM 395 OG1 THR A 32 2.024 -0.249 -12.197 1.00 0.00 O ATOM 396 CG2 THR A 32 3.666 0.887 -10.846 1.00 0.00 C ATOM 0 H THR A 32 0.000 -0.514 -11.296 1.00 0.00 H new ATOM 0 HA THR A 32 2.113 -0.341 -9.300 1.00 0.00 H new ATOM 0 HB THR A 32 1.775 1.672 -11.499 1.00 0.00 H new ATOM 0 HG1 THR A 32 2.500 0.049 -13.000 1.00 0.00 H new ATOM 0 HG21 THR A 32 4.196 1.219 -11.739 1.00 0.00 H new ATOM 0 HG22 THR A 32 3.785 1.629 -10.057 1.00 0.00 H new ATOM 0 HG23 THR A 32 4.078 -0.066 -10.513 1.00 0.00 H new ATOM 404 N VAL A 33 1.380 1.625 -7.914 1.00 0.00 N ATOM 405 CA VAL A 33 0.898 2.778 -7.101 1.00 0.00 C ATOM 406 C VAL A 33 2.028 3.373 -6.246 1.00 0.00 C ATOM 407 O VAL A 33 3.029 2.738 -5.986 1.00 0.00 O ATOM 408 CB VAL A 33 -0.224 2.303 -6.170 1.00 0.00 C ATOM 409 CG1 VAL A 33 -1.553 2.871 -6.659 1.00 0.00 C ATOM 410 CG2 VAL A 33 -0.313 0.771 -6.152 1.00 0.00 C ATOM 0 H VAL A 33 2.045 1.008 -7.447 1.00 0.00 H new ATOM 0 HA VAL A 33 0.537 3.547 -7.784 1.00 0.00 H new ATOM 0 HB VAL A 33 -0.007 2.652 -5.160 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -2.355 2.537 -6.001 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -1.508 3.960 -6.652 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -1.747 2.522 -7.673 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -1.117 0.461 -5.484 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -0.517 0.407 -7.159 1.00 0.00 H new ATOM 0 HG23 VAL A 33 0.631 0.356 -5.800 1.00 0.00 H new ATOM 420 N THR A 34 1.853 4.591 -5.785 1.00 0.00 N ATOM 421 CA THR A 34 2.878 5.236 -4.921 1.00 0.00 C ATOM 422 C THR A 34 2.263 5.507 -3.547 1.00 0.00 C ATOM 423 O THR A 34 1.192 6.074 -3.442 1.00 0.00 O ATOM 424 CB THR A 34 3.323 6.568 -5.529 1.00 0.00 C ATOM 425 OG1 THR A 34 2.278 7.107 -6.324 1.00 0.00 O ATOM 426 CG2 THR A 34 4.587 6.372 -6.368 1.00 0.00 C ATOM 0 H THR A 34 1.033 5.166 -5.977 1.00 0.00 H new ATOM 0 HA THR A 34 3.740 4.575 -4.835 1.00 0.00 H new ATOM 0 HB THR A 34 3.550 7.268 -4.725 1.00 0.00 H new ATOM 0 HG1 THR A 34 2.567 7.960 -6.710 1.00 0.00 H new ATOM 0 HG21 THR A 34 4.892 7.327 -6.795 1.00 0.00 H new ATOM 0 HG22 THR A 34 5.386 5.984 -5.736 1.00 0.00 H new ATOM 0 HG23 THR A 34 4.384 5.664 -7.172 1.00 0.00 H new ATOM 434 N LEU A 35 2.913 5.107 -2.489 1.00 0.00 N ATOM 435 CA LEU A 35 2.326 5.353 -1.133 1.00 0.00 C ATOM 436 C LEU A 35 3.027 6.520 -0.438 1.00 0.00 C ATOM 437 O LEU A 35 3.614 6.359 0.612 1.00 0.00 O ATOM 438 CB LEU A 35 2.488 4.116 -0.278 1.00 0.00 C ATOM 439 CG LEU A 35 1.265 3.205 -0.432 1.00 0.00 C ATOM 440 CD1 LEU A 35 0.090 3.797 0.347 1.00 0.00 C ATOM 441 CD2 LEU A 35 0.887 3.091 -1.912 1.00 0.00 C ATOM 0 H LEU A 35 3.813 4.627 -2.499 1.00 0.00 H new ATOM 0 HA LEU A 35 1.271 5.594 -1.259 1.00 0.00 H new ATOM 0 HB2 LEU A 35 3.390 3.579 -0.570 1.00 0.00 H new ATOM 0 HB3 LEU A 35 2.610 4.400 0.767 1.00 0.00 H new ATOM 0 HG LEU A 35 1.502 2.215 -0.043 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -0.781 3.151 0.239 1.00 0.00 H new ATOM 0 HD12 LEU A 35 0.355 3.875 1.401 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -0.143 4.788 -0.043 1.00 0.00 H new ATOM 0 HD21 LEU A 35 0.017 2.442 -2.016 1.00 0.00 H new ATOM 0 HD22 LEU A 35 0.651 4.080 -2.305 1.00 0.00 H new ATOM 0 HD23 LEU A 35 1.723 2.669 -2.470 1.00 0.00 H new ATOM 453 N GLU A 36 2.951 7.681 -1.021 1.00 0.00 N ATOM 454 CA GLU A 36 3.599 8.911 -0.448 1.00 0.00 C ATOM 455 C GLU A 36 3.926 8.732 1.039 1.00 0.00 C ATOM 456 O GLU A 36 3.083 8.907 1.896 1.00 0.00 O ATOM 457 CB GLU A 36 2.650 10.100 -0.616 1.00 0.00 C ATOM 458 CG GLU A 36 2.699 10.589 -2.065 1.00 0.00 C ATOM 459 CD GLU A 36 2.927 12.100 -2.085 1.00 0.00 C ATOM 460 OE1 GLU A 36 1.951 12.827 -2.003 1.00 0.00 O ATOM 461 OE2 GLU A 36 4.074 12.504 -2.183 1.00 0.00 O ATOM 0 H GLU A 36 2.454 7.842 -1.897 1.00 0.00 H new ATOM 0 HA GLU A 36 4.533 9.087 -0.982 1.00 0.00 H new ATOM 0 HB2 GLU A 36 1.633 9.808 -0.353 1.00 0.00 H new ATOM 0 HB3 GLU A 36 2.935 10.905 0.061 1.00 0.00 H new ATOM 0 HG2 GLU A 36 3.500 10.082 -2.604 1.00 0.00 H new ATOM 0 HG3 GLU A 36 1.767 10.344 -2.574 1.00 0.00 H new ATOM 468 N LYS A 37 5.149 8.383 1.351 1.00 0.00 N ATOM 469 CA LYS A 37 5.527 8.193 2.786 1.00 0.00 C ATOM 470 C LYS A 37 5.775 9.555 3.433 1.00 0.00 C ATOM 471 O LYS A 37 6.456 10.400 2.886 1.00 0.00 O ATOM 472 CB LYS A 37 6.805 7.350 2.893 1.00 0.00 C ATOM 473 CG LYS A 37 6.479 6.007 3.547 1.00 0.00 C ATOM 474 CD LYS A 37 6.404 6.183 5.065 1.00 0.00 C ATOM 475 CE LYS A 37 7.783 5.931 5.679 1.00 0.00 C ATOM 476 NZ LYS A 37 7.739 6.237 7.137 1.00 0.00 N ATOM 0 H LYS A 37 5.899 8.222 0.679 1.00 0.00 H new ATOM 0 HA LYS A 37 4.713 7.679 3.297 1.00 0.00 H new ATOM 0 HB2 LYS A 37 7.231 7.190 1.903 1.00 0.00 H new ATOM 0 HB3 LYS A 37 7.554 7.880 3.481 1.00 0.00 H new ATOM 0 HG2 LYS A 37 5.531 5.626 3.167 1.00 0.00 H new ATOM 0 HG3 LYS A 37 7.243 5.272 3.293 1.00 0.00 H new ATOM 0 HD2 LYS A 37 6.065 7.190 5.308 1.00 0.00 H new ATOM 0 HD3 LYS A 37 5.675 5.491 5.486 1.00 0.00 H new ATOM 0 HE2 LYS A 37 8.079 4.894 5.523 1.00 0.00 H new ATOM 0 HE3 LYS A 37 8.531 6.553 5.188 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 8.675 6.066 7.556 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 7.474 7.233 7.275 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 7.036 5.625 7.599 1.00 0.00 H new ATOM 528 N GLY A 41 4.422 4.699 7.101 1.00 0.00 N ATOM 529 CA GLY A 41 5.013 3.461 6.515 1.00 0.00 C ATOM 530 C GLY A 41 4.112 2.970 5.382 1.00 0.00 C ATOM 531 O GLY A 41 3.535 1.902 5.451 1.00 0.00 O ATOM 0 HA2 GLY A 41 6.016 3.664 6.138 1.00 0.00 H new ATOM 0 HA3 GLY A 41 5.110 2.691 7.280 1.00 0.00 H new ATOM 535 N LEU A 42 3.984 3.746 4.338 1.00 0.00 N ATOM 536 CA LEU A 42 3.114 3.339 3.187 1.00 0.00 C ATOM 537 C LEU A 42 1.749 2.864 3.679 1.00 0.00 C ATOM 538 O LEU A 42 1.010 2.232 2.952 1.00 0.00 O ATOM 539 CB LEU A 42 3.765 2.210 2.385 1.00 0.00 C ATOM 540 CG LEU A 42 5.219 2.025 2.806 1.00 0.00 C ATOM 541 CD1 LEU A 42 5.848 0.916 1.971 1.00 0.00 C ATOM 542 CD2 LEU A 42 5.984 3.329 2.587 1.00 0.00 C ATOM 0 H LEU A 42 4.446 4.649 4.229 1.00 0.00 H new ATOM 0 HA LEU A 42 2.988 4.214 2.550 1.00 0.00 H new ATOM 0 HB2 LEU A 42 3.215 1.282 2.540 1.00 0.00 H new ATOM 0 HB3 LEU A 42 3.715 2.437 1.320 1.00 0.00 H new ATOM 0 HG LEU A 42 5.263 1.755 3.861 1.00 0.00 H new ATOM 0 HD11 LEU A 42 6.888 0.781 2.269 1.00 0.00 H new ATOM 0 HD12 LEU A 42 5.301 -0.014 2.130 1.00 0.00 H new ATOM 0 HD13 LEU A 42 5.805 1.186 0.916 1.00 0.00 H new ATOM 0 HD21 LEU A 42 7.023 3.196 2.888 1.00 0.00 H new ATOM 0 HD22 LEU A 42 5.944 3.602 1.532 1.00 0.00 H new ATOM 0 HD23 LEU A 42 5.532 4.121 3.184 1.00 0.00 H new ATOM 554 N GLY A 43 1.398 3.156 4.897 1.00 0.00 N ATOM 555 CA GLY A 43 0.079 2.712 5.408 1.00 0.00 C ATOM 556 C GLY A 43 -0.092 1.208 5.181 1.00 0.00 C ATOM 557 O GLY A 43 -1.182 0.687 5.293 1.00 0.00 O ATOM 0 H GLY A 43 1.968 3.683 5.559 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -0.004 2.939 6.471 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -0.718 3.257 4.903 1.00 0.00 H new ATOM 561 N PHE A 44 0.961 0.489 4.873 1.00 0.00 N ATOM 562 CA PHE A 44 0.792 -0.965 4.665 1.00 0.00 C ATOM 563 C PHE A 44 2.045 -1.718 5.110 1.00 0.00 C ATOM 564 O PHE A 44 3.155 -1.230 5.046 1.00 0.00 O ATOM 565 CB PHE A 44 0.459 -1.257 3.197 1.00 0.00 C ATOM 566 CG PHE A 44 1.698 -1.249 2.331 1.00 0.00 C ATOM 567 CD1 PHE A 44 2.630 -2.292 2.415 1.00 0.00 C ATOM 568 CD2 PHE A 44 1.893 -0.209 1.413 1.00 0.00 C ATOM 569 CE1 PHE A 44 3.753 -2.292 1.581 1.00 0.00 C ATOM 570 CE2 PHE A 44 3.019 -0.208 0.586 1.00 0.00 C ATOM 571 CZ PHE A 44 3.947 -1.250 0.667 1.00 0.00 C ATOM 0 H PHE A 44 1.910 0.847 4.760 1.00 0.00 H new ATOM 0 HA PHE A 44 -0.041 -1.314 5.275 1.00 0.00 H new ATOM 0 HB2 PHE A 44 -0.032 -2.227 3.121 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -0.247 -0.513 2.829 1.00 0.00 H new ATOM 0 HD1 PHE A 44 2.482 -3.094 3.122 1.00 0.00 H new ATOM 0 HD2 PHE A 44 1.172 0.593 1.345 1.00 0.00 H new ATOM 0 HE1 PHE A 44 4.471 -3.097 1.642 1.00 0.00 H new ATOM 0 HE2 PHE A 44 3.172 0.598 -0.116 1.00 0.00 H new ATOM 0 HZ PHE A 44 4.815 -1.251 0.024 1.00 0.00 H new ATOM 581 N SER A 45 1.835 -2.914 5.568 1.00 0.00 N ATOM 582 CA SER A 45 2.953 -3.783 6.051 1.00 0.00 C ATOM 583 C SER A 45 3.179 -4.872 5.014 1.00 0.00 C ATOM 584 O SER A 45 2.330 -5.123 4.184 1.00 0.00 O ATOM 585 CB SER A 45 2.572 -4.419 7.389 1.00 0.00 C ATOM 586 OG SER A 45 3.146 -5.717 7.472 1.00 0.00 O ATOM 0 H SER A 45 0.912 -3.343 5.632 1.00 0.00 H new ATOM 0 HA SER A 45 3.859 -3.194 6.190 1.00 0.00 H new ATOM 0 HB2 SER A 45 2.925 -3.799 8.213 1.00 0.00 H new ATOM 0 HB3 SER A 45 1.488 -4.482 7.479 1.00 0.00 H new ATOM 0 HG SER A 45 2.470 -6.389 7.244 1.00 0.00 H new ATOM 592 N LEU A 46 4.315 -5.507 5.027 1.00 0.00 N ATOM 593 CA LEU A 46 4.565 -6.540 3.982 1.00 0.00 C ATOM 594 C LEU A 46 4.778 -7.934 4.562 1.00 0.00 C ATOM 595 O LEU A 46 5.459 -8.108 5.554 1.00 0.00 O ATOM 596 CB LEU A 46 5.807 -6.142 3.182 1.00 0.00 C ATOM 597 CG LEU A 46 5.840 -6.901 1.859 1.00 0.00 C ATOM 598 CD1 LEU A 46 4.455 -6.871 1.210 1.00 0.00 C ATOM 599 CD2 LEU A 46 6.846 -6.225 0.940 1.00 0.00 C ATOM 0 H LEU A 46 5.068 -5.362 5.699 1.00 0.00 H new ATOM 0 HA LEU A 46 3.678 -6.584 3.350 1.00 0.00 H new ATOM 0 HB2 LEU A 46 5.801 -5.068 2.995 1.00 0.00 H new ATOM 0 HB3 LEU A 46 6.706 -6.360 3.758 1.00 0.00 H new ATOM 0 HG LEU A 46 6.126 -7.938 2.033 1.00 0.00 H new ATOM 0 HD11 LEU A 46 4.484 -7.414 0.266 1.00 0.00 H new ATOM 0 HD12 LEU A 46 3.731 -7.340 1.876 1.00 0.00 H new ATOM 0 HD13 LEU A 46 4.162 -5.837 1.025 1.00 0.00 H new ATOM 0 HD21 LEU A 46 6.883 -6.755 -0.012 1.00 0.00 H new ATOM 0 HD22 LEU A 46 6.545 -5.192 0.768 1.00 0.00 H new ATOM 0 HD23 LEU A 46 7.832 -6.243 1.404 1.00 0.00 H new ATOM 611 N GLU A 47 4.241 -8.948 3.913 1.00 0.00 N ATOM 612 CA GLU A 47 4.470 -10.326 4.400 1.00 0.00 C ATOM 613 C GLU A 47 5.195 -11.096 3.305 1.00 0.00 C ATOM 614 O GLU A 47 5.142 -10.737 2.148 1.00 0.00 O ATOM 615 CB GLU A 47 3.151 -11.011 4.757 1.00 0.00 C ATOM 616 CG GLU A 47 2.867 -10.794 6.245 1.00 0.00 C ATOM 617 CD GLU A 47 1.611 -11.570 6.644 1.00 0.00 C ATOM 618 OE1 GLU A 47 1.130 -12.341 5.831 1.00 0.00 O ATOM 619 OE2 GLU A 47 1.151 -11.379 7.758 1.00 0.00 O ATOM 0 H GLU A 47 3.662 -8.869 3.077 1.00 0.00 H new ATOM 0 HA GLU A 47 5.073 -10.301 5.308 1.00 0.00 H new ATOM 0 HB2 GLU A 47 2.339 -10.603 4.155 1.00 0.00 H new ATOM 0 HB3 GLU A 47 3.208 -12.077 4.535 1.00 0.00 H new ATOM 0 HG2 GLU A 47 3.717 -11.127 6.840 1.00 0.00 H new ATOM 0 HG3 GLU A 47 2.731 -9.732 6.449 1.00 0.00 H new ATOM 771 N LEU A 59 6.087 -12.153 -1.572 1.00 0.00 N ATOM 772 CA LEU A 59 5.839 -11.146 -0.504 1.00 0.00 C ATOM 773 C LEU A 59 4.508 -10.441 -0.781 1.00 0.00 C ATOM 774 O LEU A 59 4.230 -10.054 -1.898 1.00 0.00 O ATOM 775 CB LEU A 59 6.978 -10.128 -0.485 1.00 0.00 C ATOM 776 CG LEU A 59 8.058 -10.597 0.493 1.00 0.00 C ATOM 777 CD1 LEU A 59 9.377 -10.810 -0.253 1.00 0.00 C ATOM 778 CD2 LEU A 59 8.250 -9.537 1.579 1.00 0.00 C ATOM 0 HA LEU A 59 5.792 -11.639 0.467 1.00 0.00 H new ATOM 0 HB2 LEU A 59 7.399 -10.017 -1.484 1.00 0.00 H new ATOM 0 HB3 LEU A 59 6.602 -9.149 -0.187 1.00 0.00 H new ATOM 0 HG LEU A 59 7.750 -11.538 0.949 1.00 0.00 H new ATOM 0 HD11 LEU A 59 10.142 -11.144 0.448 1.00 0.00 H new ATOM 0 HD12 LEU A 59 9.240 -11.565 -1.027 1.00 0.00 H new ATOM 0 HD13 LEU A 59 9.690 -9.873 -0.713 1.00 0.00 H new ATOM 0 HD21 LEU A 59 9.019 -9.867 2.278 1.00 0.00 H new ATOM 0 HD22 LEU A 59 8.557 -8.597 1.120 1.00 0.00 H new ATOM 0 HD23 LEU A 59 7.312 -9.390 2.114 1.00 0.00 H new ATOM 790 N THR A 60 3.669 -10.297 0.215 1.00 0.00 N ATOM 791 CA THR A 60 2.347 -9.650 -0.029 1.00 0.00 C ATOM 792 C THR A 60 1.949 -8.746 1.152 1.00 0.00 C ATOM 793 O THR A 60 2.391 -8.960 2.264 1.00 0.00 O ATOM 794 CB THR A 60 1.324 -10.758 -0.190 1.00 0.00 C ATOM 795 OG1 THR A 60 1.601 -11.779 0.759 1.00 0.00 O ATOM 796 CG2 THR A 60 1.454 -11.297 -1.603 1.00 0.00 C ATOM 0 H THR A 60 3.841 -10.596 1.175 1.00 0.00 H new ATOM 0 HA THR A 60 2.398 -9.026 -0.921 1.00 0.00 H new ATOM 0 HB THR A 60 0.310 -10.394 -0.023 1.00 0.00 H new ATOM 0 HG1 THR A 60 0.944 -12.500 0.665 1.00 0.00 H new ATOM 0 HG21 THR A 60 0.731 -12.098 -1.755 1.00 0.00 H new ATOM 0 HG22 THR A 60 1.263 -10.496 -2.317 1.00 0.00 H new ATOM 0 HG23 THR A 60 2.462 -11.684 -1.753 1.00 0.00 H new ATOM 804 N ILE A 61 1.116 -7.739 0.946 1.00 0.00 N ATOM 805 CA ILE A 61 0.731 -6.867 2.089 1.00 0.00 C ATOM 806 C ILE A 61 -0.284 -7.566 2.973 1.00 0.00 C ATOM 807 O ILE A 61 -1.341 -7.982 2.541 1.00 0.00 O ATOM 808 CB ILE A 61 0.122 -5.581 1.583 1.00 0.00 C ATOM 809 CG1 ILE A 61 1.166 -4.763 0.840 1.00 0.00 C ATOM 810 CG2 ILE A 61 -0.353 -4.763 2.764 1.00 0.00 C ATOM 811 CD1 ILE A 61 0.483 -3.588 0.135 1.00 0.00 C ATOM 0 H ILE A 61 0.699 -7.496 0.047 1.00 0.00 H new ATOM 0 HA ILE A 61 1.631 -6.651 2.664 1.00 0.00 H new ATOM 0 HB ILE A 61 -0.705 -5.823 0.915 1.00 0.00 H new ATOM 0 HG12 ILE A 61 1.919 -4.395 1.537 1.00 0.00 H new ATOM 0 HG13 ILE A 61 1.683 -5.388 0.112 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -0.794 -3.832 2.408 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -1.100 -5.329 3.322 1.00 0.00 H new ATOM 0 HG23 ILE A 61 0.492 -4.538 3.414 1.00 0.00 H new ATOM 0 HD11 ILE A 61 1.230 -3.000 -0.398 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -0.254 -3.967 -0.573 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -0.014 -2.959 0.874 1.00 0.00 H new ATOM 823 N ASN A 62 0.047 -7.689 4.214 1.00 0.00 N ATOM 824 CA ASN A 62 -0.876 -8.358 5.180 1.00 0.00 C ATOM 825 C ASN A 62 -1.558 -7.343 6.109 1.00 0.00 C ATOM 826 O ASN A 62 -2.586 -7.633 6.689 1.00 0.00 O ATOM 827 CB ASN A 62 -0.094 -9.362 6.020 1.00 0.00 C ATOM 828 CG ASN A 62 0.786 -8.613 7.021 1.00 0.00 C ATOM 829 OD1 ASN A 62 1.573 -7.768 6.644 1.00 0.00 O ATOM 830 ND2 ASN A 62 0.684 -8.888 8.293 1.00 0.00 N ATOM 0 H ASN A 62 0.923 -7.355 4.615 1.00 0.00 H new ATOM 0 HA ASN A 62 -1.651 -8.866 4.605 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -0.781 -10.024 6.547 1.00 0.00 H new ATOM 0 HB3 ASN A 62 0.522 -9.989 5.376 1.00 0.00 H new ATOM 0 HD21 ASN A 62 1.265 -8.393 8.970 1.00 0.00 H new ATOM 0 HD22 ASN A 62 0.023 -9.597 8.610 1.00 0.00 H new ATOM 837 N ARG A 63 -1.020 -6.163 6.270 1.00 0.00 N ATOM 838 CA ARG A 63 -1.684 -5.182 7.175 1.00 0.00 C ATOM 839 C ARG A 63 -1.737 -3.815 6.498 1.00 0.00 C ATOM 840 O ARG A 63 -0.743 -3.127 6.385 1.00 0.00 O ATOM 841 CB ARG A 63 -0.900 -5.079 8.486 1.00 0.00 C ATOM 842 CG ARG A 63 -1.599 -5.911 9.563 1.00 0.00 C ATOM 843 CD ARG A 63 -2.499 -5.005 10.406 1.00 0.00 C ATOM 844 NE ARG A 63 -3.824 -5.660 10.598 1.00 0.00 N ATOM 845 CZ ARG A 63 -4.417 -5.603 11.759 1.00 0.00 C ATOM 846 NH1 ARG A 63 -4.180 -6.520 12.659 1.00 0.00 N ATOM 847 NH2 ARG A 63 -5.247 -4.631 12.021 1.00 0.00 N ATOM 0 H ARG A 63 -0.163 -5.840 5.821 1.00 0.00 H new ATOM 0 HA ARG A 63 -2.699 -5.517 7.389 1.00 0.00 H new ATOM 0 HB2 ARG A 63 0.120 -5.435 8.341 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -0.833 -4.038 8.802 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -2.191 -6.700 9.100 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -0.859 -6.398 10.198 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -2.034 -4.811 11.373 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -2.626 -4.041 9.914 1.00 0.00 H new ATOM 0 HE ARG A 63 -4.267 -6.153 9.822 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -3.532 -7.280 12.454 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -4.643 -6.476 13.567 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -5.433 -3.915 11.318 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -5.710 -4.587 12.929 1.00 0.00 H new ATOM 861 N ILE A 64 -2.892 -3.417 6.034 1.00 0.00 N ATOM 862 CA ILE A 64 -2.998 -2.102 5.359 1.00 0.00 C ATOM 863 C ILE A 64 -3.755 -1.117 6.234 1.00 0.00 C ATOM 864 O ILE A 64 -4.680 -1.463 6.942 1.00 0.00 O ATOM 865 CB ILE A 64 -3.697 -2.274 4.019 1.00 0.00 C ATOM 866 CG1 ILE A 64 -2.793 -3.155 3.160 1.00 0.00 C ATOM 867 CG2 ILE A 64 -3.907 -0.904 3.359 1.00 0.00 C ATOM 868 CD1 ILE A 64 -2.767 -2.668 1.711 1.00 0.00 C ATOM 0 H ILE A 64 -3.761 -3.948 6.096 1.00 0.00 H new ATOM 0 HA ILE A 64 -1.997 -1.704 5.189 1.00 0.00 H new ATOM 0 HB ILE A 64 -4.678 -2.734 4.139 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -1.782 -3.150 3.567 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -3.145 -4.186 3.194 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -4.408 -1.035 2.400 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -4.521 -0.278 4.007 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -2.941 -0.424 3.201 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -2.116 -3.314 1.122 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -3.776 -2.697 1.299 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -2.391 -1.645 1.678 1.00 0.00 H new ATOM 880 N PHE A 65 -3.348 0.110 6.189 1.00 0.00 N ATOM 881 CA PHE A 65 -4.011 1.156 7.018 1.00 0.00 C ATOM 882 C PHE A 65 -4.882 2.040 6.127 1.00 0.00 C ATOM 883 O PHE A 65 -4.840 1.951 4.916 1.00 0.00 O ATOM 884 CB PHE A 65 -2.939 2.010 7.701 1.00 0.00 C ATOM 885 CG PHE A 65 -1.928 1.098 8.377 1.00 0.00 C ATOM 886 CD1 PHE A 65 -2.316 -0.183 8.810 1.00 0.00 C ATOM 887 CD2 PHE A 65 -0.604 1.523 8.569 1.00 0.00 C ATOM 888 CE1 PHE A 65 -1.383 -1.030 9.429 1.00 0.00 C ATOM 889 CE2 PHE A 65 0.326 0.671 9.190 1.00 0.00 C ATOM 890 CZ PHE A 65 -0.065 -0.601 9.618 1.00 0.00 C ATOM 0 H PHE A 65 -2.577 0.443 5.610 1.00 0.00 H new ATOM 0 HA PHE A 65 -4.638 0.682 7.774 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -2.441 2.644 6.968 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -3.398 2.672 8.436 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -3.333 -0.515 8.666 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -0.300 2.505 8.239 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -1.683 -2.013 9.759 1.00 0.00 H new ATOM 0 HE2 PHE A 65 1.344 1.000 9.337 1.00 0.00 H new ATOM 0 HZ PHE A 65 0.651 -1.253 10.095 1.00 0.00 H new ATOM 1003 N GLU A 74 -8.153 3.585 -6.417 1.00 0.00 N ATOM 1004 CA GLU A 74 -7.601 2.557 -5.491 1.00 0.00 C ATOM 1005 C GLU A 74 -6.089 2.765 -5.360 1.00 0.00 C ATOM 1006 O GLU A 74 -5.469 3.399 -6.190 1.00 0.00 O ATOM 1007 CB GLU A 74 -7.882 1.158 -6.047 1.00 0.00 C ATOM 1008 CG GLU A 74 -9.337 0.778 -5.768 1.00 0.00 C ATOM 1009 CD GLU A 74 -9.377 -0.443 -4.846 1.00 0.00 C ATOM 1010 OE1 GLU A 74 -8.387 -0.685 -4.174 1.00 0.00 O ATOM 1011 OE2 GLU A 74 -10.394 -1.116 -4.831 1.00 0.00 O ATOM 0 HA GLU A 74 -8.072 2.652 -4.513 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -7.689 1.136 -7.120 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -7.211 0.432 -5.588 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -9.860 1.614 -5.305 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -9.852 0.558 -6.703 1.00 0.00 H new ATOM 1018 N THR A 75 -5.491 2.242 -4.325 1.00 0.00 N ATOM 1019 CA THR A 75 -4.023 2.418 -4.146 1.00 0.00 C ATOM 1020 C THR A 75 -3.384 1.101 -3.742 1.00 0.00 C ATOM 1021 O THR A 75 -3.009 0.292 -4.567 1.00 0.00 O ATOM 1022 CB THR A 75 -3.762 3.483 -3.077 1.00 0.00 C ATOM 1023 OG1 THR A 75 -4.318 3.057 -1.842 1.00 0.00 O ATOM 1024 CG2 THR A 75 -4.406 4.803 -3.503 1.00 0.00 C ATOM 0 H THR A 75 -5.956 1.701 -3.596 1.00 0.00 H new ATOM 0 HA THR A 75 -3.582 2.742 -5.089 1.00 0.00 H new ATOM 0 HB THR A 75 -2.688 3.628 -2.960 1.00 0.00 H new ATOM 0 HG1 THR A 75 -4.150 3.737 -1.156 1.00 0.00 H new ATOM 0 HG21 THR A 75 -4.220 5.561 -2.742 1.00 0.00 H new ATOM 0 HG22 THR A 75 -3.977 5.128 -4.451 1.00 0.00 H new ATOM 0 HG23 THR A 75 -5.481 4.662 -3.620 1.00 0.00 H new ATOM 1032 N VAL A 76 -3.254 0.891 -2.482 1.00 0.00 N ATOM 1033 CA VAL A 76 -2.632 -0.368 -1.990 1.00 0.00 C ATOM 1034 C VAL A 76 -3.656 -1.500 -2.067 1.00 0.00 C ATOM 1035 O VAL A 76 -4.812 -1.284 -2.369 1.00 0.00 O ATOM 1036 CB VAL A 76 -2.187 -0.187 -0.537 1.00 0.00 C ATOM 1037 CG1 VAL A 76 -1.114 0.901 -0.462 1.00 0.00 C ATOM 1038 CG2 VAL A 76 -3.389 0.222 0.315 1.00 0.00 C ATOM 0 H VAL A 76 -3.552 1.539 -1.753 1.00 0.00 H new ATOM 0 HA VAL A 76 -1.767 -0.611 -2.607 1.00 0.00 H new ATOM 0 HB VAL A 76 -1.777 -1.125 -0.163 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -0.798 1.029 0.573 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -0.257 0.610 -1.070 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -1.521 1.840 -0.836 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -3.074 0.351 1.350 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -3.798 1.160 -0.060 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -4.153 -0.554 0.262 1.00 0.00 H new ATOM 1048 N GLN A 77 -3.240 -2.705 -1.799 1.00 0.00 N ATOM 1049 CA GLN A 77 -4.193 -3.851 -1.862 1.00 0.00 C ATOM 1050 C GLN A 77 -3.770 -4.915 -0.843 1.00 0.00 C ATOM 1051 O GLN A 77 -2.594 -5.137 -0.640 1.00 0.00 O ATOM 1052 CB GLN A 77 -4.190 -4.459 -3.272 1.00 0.00 C ATOM 1053 CG GLN A 77 -2.856 -4.172 -3.972 1.00 0.00 C ATOM 1054 CD GLN A 77 -2.948 -2.841 -4.720 1.00 0.00 C ATOM 1055 OE1 GLN A 77 -3.860 -2.628 -5.495 1.00 0.00 O ATOM 1056 NE2 GLN A 77 -2.032 -1.932 -4.524 1.00 0.00 N ATOM 0 H GLN A 77 -2.284 -2.948 -1.539 1.00 0.00 H new ATOM 0 HA GLN A 77 -5.198 -3.498 -1.630 1.00 0.00 H new ATOM 0 HB2 GLN A 77 -4.353 -5.535 -3.212 1.00 0.00 H new ATOM 0 HB3 GLN A 77 -5.012 -4.044 -3.856 1.00 0.00 H new ATOM 0 HG2 GLN A 77 -2.050 -4.135 -3.240 1.00 0.00 H new ATOM 0 HG3 GLN A 77 -2.618 -4.977 -4.668 1.00 0.00 H new ATOM 0 HE21 GLN A 77 -1.267 -2.111 -3.874 1.00 0.00 H new ATOM 0 HE22 GLN A 77 -2.081 -1.043 -5.021 1.00 0.00 H new ATOM 1065 N PRO A 78 -4.744 -5.542 -0.226 1.00 0.00 N ATOM 1066 CA PRO A 78 -4.497 -6.585 0.781 1.00 0.00 C ATOM 1067 C PRO A 78 -4.166 -7.918 0.105 1.00 0.00 C ATOM 1068 O PRO A 78 -4.826 -8.335 -0.825 1.00 0.00 O ATOM 1069 CB PRO A 78 -5.824 -6.676 1.537 1.00 0.00 C ATOM 1070 CG PRO A 78 -6.908 -6.119 0.584 1.00 0.00 C ATOM 1071 CD PRO A 78 -6.176 -5.271 -0.473 1.00 0.00 C ATOM 0 HA PRO A 78 -3.653 -6.357 1.432 1.00 0.00 H new ATOM 0 HB2 PRO A 78 -6.043 -7.707 1.814 1.00 0.00 H new ATOM 0 HB3 PRO A 78 -5.785 -6.099 2.461 1.00 0.00 H new ATOM 0 HG2 PRO A 78 -7.463 -6.930 0.113 1.00 0.00 H new ATOM 0 HG3 PRO A 78 -7.631 -5.515 1.132 1.00 0.00 H new ATOM 0 HD2 PRO A 78 -6.467 -5.556 -1.484 1.00 0.00 H new ATOM 0 HD3 PRO A 78 -6.406 -4.211 -0.362 1.00 0.00 H new ATOM 1079 N GLY A 79 -3.150 -8.589 0.572 1.00 0.00 N ATOM 1080 CA GLY A 79 -2.780 -9.908 -0.050 1.00 0.00 C ATOM 1081 C GLY A 79 -2.239 -9.688 -1.467 1.00 0.00 C ATOM 1082 O GLY A 79 -2.085 -10.624 -2.227 1.00 0.00 O ATOM 0 H GLY A 79 -2.560 -8.292 1.349 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -2.029 -10.409 0.561 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -3.652 -10.561 -0.082 1.00 0.00 H new ATOM 1086 N ASP A 80 -1.947 -8.469 -1.838 1.00 0.00 N ATOM 1087 CA ASP A 80 -1.418 -8.225 -3.208 1.00 0.00 C ATOM 1088 C ASP A 80 0.022 -8.749 -3.287 1.00 0.00 C ATOM 1089 O ASP A 80 0.753 -8.695 -2.319 1.00 0.00 O ATOM 1090 CB ASP A 80 -1.437 -6.722 -3.492 1.00 0.00 C ATOM 1091 CG ASP A 80 -0.380 -6.025 -2.634 1.00 0.00 C ATOM 1092 OD1 ASP A 80 -0.158 -6.474 -1.521 1.00 0.00 O ATOM 1093 OD2 ASP A 80 0.190 -5.054 -3.104 1.00 0.00 O ATOM 0 H ASP A 80 -2.052 -7.639 -1.255 1.00 0.00 H new ATOM 0 HA ASP A 80 -2.034 -8.740 -3.945 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -1.241 -6.539 -4.548 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -2.424 -6.313 -3.275 1.00 0.00 H new ATOM 1098 N GLU A 81 0.450 -9.252 -4.420 1.00 0.00 N ATOM 1099 CA GLU A 81 1.860 -9.761 -4.502 1.00 0.00 C ATOM 1100 C GLU A 81 2.782 -8.628 -5.002 1.00 0.00 C ATOM 1101 O GLU A 81 3.052 -8.533 -6.184 1.00 0.00 O ATOM 1102 CB GLU A 81 1.955 -10.944 -5.483 1.00 0.00 C ATOM 1103 CG GLU A 81 3.277 -11.677 -5.257 1.00 0.00 C ATOM 1104 CD GLU A 81 3.328 -12.925 -6.141 1.00 0.00 C ATOM 1105 OE1 GLU A 81 2.309 -13.585 -6.261 1.00 0.00 O ATOM 1106 OE2 GLU A 81 4.387 -13.201 -6.681 1.00 0.00 O ATOM 0 H GLU A 81 -0.100 -9.332 -5.275 1.00 0.00 H new ATOM 0 HA GLU A 81 2.167 -10.094 -3.511 1.00 0.00 H new ATOM 0 HB2 GLU A 81 1.117 -11.625 -5.333 1.00 0.00 H new ATOM 0 HB3 GLU A 81 1.895 -10.586 -6.511 1.00 0.00 H new ATOM 0 HG2 GLU A 81 4.114 -11.019 -5.490 1.00 0.00 H new ATOM 0 HG3 GLU A 81 3.375 -11.957 -4.208 1.00 0.00 H new ATOM 1113 N ILE A 82 3.271 -7.765 -4.135 1.00 0.00 N ATOM 1114 CA ILE A 82 4.167 -6.662 -4.617 1.00 0.00 C ATOM 1115 C ILE A 82 5.574 -7.221 -4.862 1.00 0.00 C ATOM 1116 O ILE A 82 6.133 -7.888 -4.015 1.00 0.00 O ATOM 1117 CB ILE A 82 4.270 -5.540 -3.571 1.00 0.00 C ATOM 1118 CG1 ILE A 82 3.090 -5.599 -2.581 1.00 0.00 C ATOM 1119 CG2 ILE A 82 4.270 -4.189 -4.296 1.00 0.00 C ATOM 1120 CD1 ILE A 82 2.896 -4.231 -1.915 1.00 0.00 C ATOM 0 H ILE A 82 3.091 -7.777 -3.131 1.00 0.00 H new ATOM 0 HA ILE A 82 3.744 -6.258 -5.537 1.00 0.00 H new ATOM 0 HB ILE A 82 5.193 -5.665 -3.005 1.00 0.00 H new ATOM 0 HG12 ILE A 82 2.179 -5.890 -3.105 1.00 0.00 H new ATOM 0 HG13 ILE A 82 3.278 -6.359 -1.822 1.00 0.00 H new ATOM 0 HG21 ILE A 82 4.343 -3.384 -3.565 1.00 0.00 H new ATOM 0 HG22 ILE A 82 5.121 -4.141 -4.975 1.00 0.00 H new ATOM 0 HG23 ILE A 82 3.346 -4.081 -4.864 1.00 0.00 H new ATOM 0 HD11 ILE A 82 2.060 -4.281 -1.217 1.00 0.00 H new ATOM 0 HD12 ILE A 82 3.803 -3.957 -1.376 1.00 0.00 H new ATOM 0 HD13 ILE A 82 2.687 -3.481 -2.678 1.00 0.00 H new ATOM 1132 N LEU A 83 6.165 -6.959 -6.005 1.00 0.00 N ATOM 1133 CA LEU A 83 7.537 -7.494 -6.250 1.00 0.00 C ATOM 1134 C LEU A 83 8.576 -6.620 -5.527 1.00 0.00 C ATOM 1135 O LEU A 83 9.512 -7.124 -4.938 1.00 0.00 O ATOM 1136 CB LEU A 83 7.830 -7.510 -7.752 1.00 0.00 C ATOM 1137 CG LEU A 83 6.560 -7.899 -8.512 1.00 0.00 C ATOM 1138 CD1 LEU A 83 5.951 -6.656 -9.161 1.00 0.00 C ATOM 1139 CD2 LEU A 83 6.911 -8.921 -9.597 1.00 0.00 C ATOM 0 H LEU A 83 5.763 -6.408 -6.764 1.00 0.00 H new ATOM 0 HA LEU A 83 7.595 -8.512 -5.864 1.00 0.00 H new ATOM 0 HB2 LEU A 83 8.176 -6.529 -8.077 1.00 0.00 H new ATOM 0 HB3 LEU A 83 8.629 -8.218 -7.971 1.00 0.00 H new ATOM 0 HG LEU A 83 5.840 -8.335 -7.819 1.00 0.00 H new ATOM 0 HD11 LEU A 83 5.047 -6.934 -9.702 1.00 0.00 H new ATOM 0 HD12 LEU A 83 5.703 -5.927 -8.389 1.00 0.00 H new ATOM 0 HD13 LEU A 83 6.669 -6.219 -9.855 1.00 0.00 H new ATOM 0 HD21 LEU A 83 6.008 -9.200 -10.140 1.00 0.00 H new ATOM 0 HD22 LEU A 83 7.630 -8.484 -10.289 1.00 0.00 H new ATOM 0 HD23 LEU A 83 7.345 -9.808 -9.135 1.00 0.00 H new ATOM 1151 N GLN A 84 8.423 -5.317 -5.550 1.00 0.00 N ATOM 1152 CA GLN A 84 9.405 -4.440 -4.847 1.00 0.00 C ATOM 1153 C GLN A 84 8.697 -3.166 -4.379 1.00 0.00 C ATOM 1154 O GLN A 84 7.762 -2.703 -5.003 1.00 0.00 O ATOM 1155 CB GLN A 84 10.571 -4.093 -5.793 1.00 0.00 C ATOM 1156 CG GLN A 84 10.192 -2.945 -6.736 1.00 0.00 C ATOM 1157 CD GLN A 84 10.226 -3.442 -8.182 1.00 0.00 C ATOM 1158 OE1 GLN A 84 10.996 -4.319 -8.518 1.00 0.00 O ATOM 1159 NE2 GLN A 84 9.417 -2.913 -9.059 1.00 0.00 N ATOM 0 H GLN A 84 7.664 -4.828 -6.023 1.00 0.00 H new ATOM 0 HA GLN A 84 9.810 -4.963 -3.980 1.00 0.00 H new ATOM 0 HB2 GLN A 84 11.447 -3.813 -5.208 1.00 0.00 H new ATOM 0 HB3 GLN A 84 10.844 -4.972 -6.376 1.00 0.00 H new ATOM 0 HG2 GLN A 84 9.197 -2.572 -6.491 1.00 0.00 H new ATOM 0 HG3 GLN A 84 10.884 -2.113 -6.610 1.00 0.00 H new ATOM 0 HE21 GLN A 84 8.770 -2.176 -8.777 1.00 0.00 H new ATOM 0 HE22 GLN A 84 9.432 -3.236 -10.026 1.00 0.00 H new ATOM 1168 N LEU A 85 9.130 -2.585 -3.294 1.00 0.00 N ATOM 1169 CA LEU A 85 8.469 -1.340 -2.820 1.00 0.00 C ATOM 1170 C LEU A 85 9.293 -0.144 -3.288 1.00 0.00 C ATOM 1171 O LEU A 85 10.354 -0.299 -3.858 1.00 0.00 O ATOM 1172 CB LEU A 85 8.397 -1.339 -1.293 1.00 0.00 C ATOM 1173 CG LEU A 85 7.022 -1.828 -0.841 1.00 0.00 C ATOM 1174 CD1 LEU A 85 6.683 -3.135 -1.559 1.00 0.00 C ATOM 1175 CD2 LEU A 85 7.043 -2.068 0.671 1.00 0.00 C ATOM 0 H LEU A 85 9.906 -2.916 -2.721 1.00 0.00 H new ATOM 0 HA LEU A 85 7.458 -1.283 -3.223 1.00 0.00 H new ATOM 0 HB2 LEU A 85 9.175 -1.982 -0.882 1.00 0.00 H new ATOM 0 HB3 LEU A 85 8.580 -0.334 -0.912 1.00 0.00 H new ATOM 0 HG LEU A 85 6.270 -1.077 -1.082 1.00 0.00 H new ATOM 0 HD11 LEU A 85 5.702 -3.484 -1.236 1.00 0.00 H new ATOM 0 HD12 LEU A 85 6.672 -2.966 -2.636 1.00 0.00 H new ATOM 0 HD13 LEU A 85 7.433 -3.888 -1.317 1.00 0.00 H new ATOM 0 HD21 LEU A 85 6.063 -2.417 0.998 1.00 0.00 H new ATOM 0 HD22 LEU A 85 7.795 -2.821 0.910 1.00 0.00 H new ATOM 0 HD23 LEU A 85 7.286 -1.137 1.184 1.00 0.00 H new ATOM 1187 N GLY A 86 8.823 1.047 -3.051 1.00 0.00 N ATOM 1188 CA GLY A 86 9.601 2.241 -3.480 1.00 0.00 C ATOM 1189 C GLY A 86 10.870 2.332 -2.634 1.00 0.00 C ATOM 1190 O GLY A 86 11.088 3.294 -1.925 1.00 0.00 O ATOM 0 H GLY A 86 7.939 1.245 -2.582 1.00 0.00 H new ATOM 0 HA2 GLY A 86 9.857 2.165 -4.537 1.00 0.00 H new ATOM 0 HA3 GLY A 86 9.002 3.144 -3.361 1.00 0.00 H new ATOM 1194 N GLY A 87 11.711 1.334 -2.702 1.00 0.00 N ATOM 1195 CA GLY A 87 12.972 1.374 -1.889 1.00 0.00 C ATOM 1196 C GLY A 87 13.410 -0.041 -1.477 1.00 0.00 C ATOM 1197 O GLY A 87 14.326 -0.197 -0.693 1.00 0.00 O ATOM 0 H GLY A 87 11.586 0.500 -3.276 1.00 0.00 H new ATOM 0 HA2 GLY A 87 13.765 1.850 -2.466 1.00 0.00 H new ATOM 0 HA3 GLY A 87 12.815 1.983 -0.999 1.00 0.00 H new ATOM 1201 N THR A 88 12.797 -1.081 -1.995 1.00 0.00 N ATOM 1202 CA THR A 88 13.230 -2.444 -1.617 1.00 0.00 C ATOM 1203 C THR A 88 12.599 -3.439 -2.588 1.00 0.00 C ATOM 1204 O THR A 88 11.550 -3.198 -3.150 1.00 0.00 O ATOM 1205 CB THR A 88 12.791 -2.780 -0.166 1.00 0.00 C ATOM 1206 OG1 THR A 88 13.774 -3.620 0.419 1.00 0.00 O ATOM 1207 CG2 THR A 88 11.453 -3.531 -0.146 1.00 0.00 C ATOM 0 H THR A 88 12.023 -1.035 -2.657 1.00 0.00 H new ATOM 0 HA THR A 88 14.317 -2.503 -1.664 1.00 0.00 H new ATOM 0 HB THR A 88 12.679 -1.846 0.384 1.00 0.00 H new ATOM 0 HG1 THR A 88 13.343 -4.416 0.794 1.00 0.00 H new ATOM 0 HG21 THR A 88 11.175 -3.751 0.885 1.00 0.00 H new ATOM 0 HG22 THR A 88 10.682 -2.913 -0.606 1.00 0.00 H new ATOM 0 HG23 THR A 88 11.551 -4.463 -0.702 1.00 0.00 H new ATOM 1215 N ALA A 89 13.210 -4.563 -2.753 1.00 0.00 N ATOM 1216 CA ALA A 89 12.633 -5.596 -3.645 1.00 0.00 C ATOM 1217 C ALA A 89 12.303 -6.843 -2.824 1.00 0.00 C ATOM 1218 O ALA A 89 12.984 -7.176 -1.873 1.00 0.00 O ATOM 1219 CB ALA A 89 13.618 -5.953 -4.742 1.00 0.00 C ATOM 0 H ALA A 89 14.091 -4.817 -2.307 1.00 0.00 H new ATOM 0 HA ALA A 89 11.725 -5.206 -4.104 1.00 0.00 H new ATOM 0 HB1 ALA A 89 13.181 -6.713 -5.390 1.00 0.00 H new ATOM 0 HB2 ALA A 89 13.847 -5.064 -5.329 1.00 0.00 H new ATOM 0 HB3 ALA A 89 14.535 -6.339 -4.296 1.00 0.00 H new ATOM 1225 N MET A 90 11.256 -7.522 -3.181 1.00 0.00 N ATOM 1226 CA MET A 90 10.850 -8.738 -2.436 1.00 0.00 C ATOM 1227 C MET A 90 11.607 -9.956 -2.973 1.00 0.00 C ATOM 1228 O MET A 90 12.386 -10.563 -2.265 1.00 0.00 O ATOM 1229 CB MET A 90 9.344 -8.950 -2.616 1.00 0.00 C ATOM 1230 CG MET A 90 8.578 -8.033 -1.659 1.00 0.00 C ATOM 1231 SD MET A 90 8.947 -6.306 -2.052 1.00 0.00 S ATOM 1232 CE MET A 90 9.693 -5.869 -0.462 1.00 0.00 C ATOM 0 H MET A 90 10.655 -7.282 -3.970 1.00 0.00 H new ATOM 0 HA MET A 90 11.084 -8.614 -1.379 1.00 0.00 H new ATOM 0 HB2 MET A 90 9.057 -8.738 -3.646 1.00 0.00 H new ATOM 0 HB3 MET A 90 9.087 -9.991 -2.421 1.00 0.00 H new ATOM 0 HG2 MET A 90 7.507 -8.215 -1.743 1.00 0.00 H new ATOM 0 HG3 MET A 90 8.858 -8.250 -0.628 1.00 0.00 H new ATOM 0 HE1 MET A 90 9.302 -4.907 -0.129 1.00 0.00 H new ATOM 0 HE2 MET A 90 9.451 -6.634 0.276 1.00 0.00 H new ATOM 0 HE3 MET A 90 10.775 -5.802 -0.574 1.00 0.00 H new ATOM 1242 N GLN A 91 11.359 -10.344 -4.201 1.00 0.00 N ATOM 1243 CA GLN A 91 12.053 -11.564 -4.751 1.00 0.00 C ATOM 1244 C GLN A 91 13.497 -11.717 -4.232 1.00 0.00 C ATOM 1245 O GLN A 91 13.972 -12.826 -4.084 1.00 0.00 O ATOM 1246 CB GLN A 91 12.029 -11.553 -6.299 1.00 0.00 C ATOM 1247 CG GLN A 91 10.631 -11.911 -6.853 1.00 0.00 C ATOM 1248 CD GLN A 91 9.560 -11.849 -5.755 1.00 0.00 C ATOM 1249 OE1 GLN A 91 8.891 -10.847 -5.599 1.00 0.00 O ATOM 1250 NE2 GLN A 91 9.370 -12.887 -4.988 1.00 0.00 N ATOM 0 H GLN A 91 10.716 -9.880 -4.843 1.00 0.00 H new ATOM 0 HA GLN A 91 11.497 -12.430 -4.391 1.00 0.00 H new ATOM 0 HB2 GLN A 91 12.322 -10.567 -6.660 1.00 0.00 H new ATOM 0 HB3 GLN A 91 12.764 -12.263 -6.679 1.00 0.00 H new ATOM 0 HG2 GLN A 91 10.370 -11.223 -7.657 1.00 0.00 H new ATOM 0 HG3 GLN A 91 10.654 -12.912 -7.284 1.00 0.00 H new ATOM 0 HE21 GLN A 91 9.932 -13.728 -5.119 1.00 0.00 H new ATOM 0 HE22 GLN A 91 8.659 -12.858 -4.257 1.00 0.00 H new ATOM 1259 N GLY A 92 14.201 -10.666 -3.917 1.00 0.00 N ATOM 1260 CA GLY A 92 15.573 -10.854 -3.381 1.00 0.00 C ATOM 1261 C GLY A 92 15.551 -10.420 -1.924 1.00 0.00 C ATOM 1262 O GLY A 92 16.417 -9.701 -1.468 1.00 0.00 O ATOM 0 H GLY A 92 13.890 -9.699 -4.006 1.00 0.00 H new ATOM 0 HA2 GLY A 92 15.880 -11.896 -3.467 1.00 0.00 H new ATOM 0 HA3 GLY A 92 16.292 -10.262 -3.948 1.00 0.00 H new ATOM 1266 N LEU A 93 14.548 -10.832 -1.186 1.00 0.00 N ATOM 1267 CA LEU A 93 14.459 -10.413 0.226 1.00 0.00 C ATOM 1268 C LEU A 93 13.668 -11.453 1.016 1.00 0.00 C ATOM 1269 O LEU A 93 13.310 -12.503 0.520 1.00 0.00 O ATOM 1270 CB LEU A 93 13.720 -9.061 0.297 1.00 0.00 C ATOM 1271 CG LEU A 93 14.696 -7.901 0.560 1.00 0.00 C ATOM 1272 CD1 LEU A 93 15.763 -8.314 1.577 1.00 0.00 C ATOM 1273 CD2 LEU A 93 15.368 -7.496 -0.753 1.00 0.00 C ATOM 0 H LEU A 93 13.795 -11.439 -1.510 1.00 0.00 H new ATOM 0 HA LEU A 93 15.460 -10.318 0.647 1.00 0.00 H new ATOM 0 HB2 LEU A 93 13.188 -8.886 -0.638 1.00 0.00 H new ATOM 0 HB3 LEU A 93 12.971 -9.095 1.088 1.00 0.00 H new ATOM 0 HG LEU A 93 14.138 -7.057 0.966 1.00 0.00 H new ATOM 0 HD11 LEU A 93 16.443 -7.480 1.749 1.00 0.00 H new ATOM 0 HD12 LEU A 93 15.283 -8.591 2.516 1.00 0.00 H new ATOM 0 HD13 LEU A 93 16.323 -9.166 1.191 1.00 0.00 H new ATOM 0 HD21 LEU A 93 16.060 -6.674 -0.569 1.00 0.00 H new ATOM 0 HD22 LEU A 93 15.915 -8.347 -1.159 1.00 0.00 H new ATOM 0 HD23 LEU A 93 14.609 -7.178 -1.467 1.00 0.00 H new ATOM 1285 N THR A 94 13.381 -11.142 2.240 1.00 0.00 N ATOM 1286 CA THR A 94 12.594 -12.064 3.104 1.00 0.00 C ATOM 1287 C THR A 94 11.401 -11.296 3.661 1.00 0.00 C ATOM 1288 O THR A 94 11.341 -10.088 3.577 1.00 0.00 O ATOM 1289 CB THR A 94 13.458 -12.557 4.266 1.00 0.00 C ATOM 1290 OG1 THR A 94 14.619 -11.746 4.367 1.00 0.00 O ATOM 1291 CG2 THR A 94 13.864 -14.010 4.022 1.00 0.00 C ATOM 0 H THR A 94 13.662 -10.272 2.692 1.00 0.00 H new ATOM 0 HA THR A 94 12.261 -12.922 2.520 1.00 0.00 H new ATOM 0 HB THR A 94 12.890 -12.494 5.194 1.00 0.00 H new ATOM 0 HG1 THR A 94 15.409 -12.275 4.132 1.00 0.00 H new ATOM 0 HG21 THR A 94 14.480 -14.360 4.851 1.00 0.00 H new ATOM 0 HG22 THR A 94 12.970 -14.630 3.947 1.00 0.00 H new ATOM 0 HG23 THR A 94 14.432 -14.078 3.094 1.00 0.00 H new ATOM 1299 N ARG A 95 10.448 -11.976 4.224 1.00 0.00 N ATOM 1300 CA ARG A 95 9.259 -11.255 4.771 1.00 0.00 C ATOM 1301 C ARG A 95 9.697 -10.145 5.735 1.00 0.00 C ATOM 1302 O ARG A 95 9.570 -8.973 5.442 1.00 0.00 O ATOM 1303 CB ARG A 95 8.329 -12.241 5.508 1.00 0.00 C ATOM 1304 CG ARG A 95 7.479 -11.496 6.540 1.00 0.00 C ATOM 1305 CD ARG A 95 6.239 -12.322 6.841 1.00 0.00 C ATOM 1306 NE ARG A 95 6.058 -12.439 8.315 1.00 0.00 N ATOM 1307 CZ ARG A 95 5.003 -11.926 8.887 1.00 0.00 C ATOM 1308 NH1 ARG A 95 4.955 -10.647 9.141 1.00 0.00 N ATOM 1309 NH2 ARG A 95 3.995 -12.694 9.204 1.00 0.00 N ATOM 0 H ARG A 95 10.435 -12.990 4.331 1.00 0.00 H new ATOM 0 HA ARG A 95 8.720 -10.806 3.937 1.00 0.00 H new ATOM 0 HB2 ARG A 95 7.683 -12.747 4.791 1.00 0.00 H new ATOM 0 HB3 ARG A 95 8.922 -13.011 6.002 1.00 0.00 H new ATOM 0 HG2 ARG A 95 8.052 -11.330 7.452 1.00 0.00 H new ATOM 0 HG3 ARG A 95 7.196 -10.515 6.158 1.00 0.00 H new ATOM 0 HD2 ARG A 95 5.362 -11.855 6.393 1.00 0.00 H new ATOM 0 HD3 ARG A 95 6.334 -13.313 6.397 1.00 0.00 H new ATOM 0 HE ARG A 95 6.759 -12.921 8.878 1.00 0.00 H new ATOM 0 HH11 ARG A 95 5.742 -10.048 8.892 1.00 0.00 H new ATOM 0 HH12 ARG A 95 4.130 -10.246 9.588 1.00 0.00 H new ATOM 0 HH21 ARG A 95 4.033 -13.694 9.004 1.00 0.00 H new ATOM 0 HH22 ARG A 95 3.170 -12.294 9.651 1.00 0.00 H new ATOM 1323 N PHE A 96 10.172 -10.503 6.893 1.00 0.00 N ATOM 1324 CA PHE A 96 10.568 -9.464 7.884 1.00 0.00 C ATOM 1325 C PHE A 96 11.719 -8.621 7.351 1.00 0.00 C ATOM 1326 O PHE A 96 11.710 -7.412 7.467 1.00 0.00 O ATOM 1327 CB PHE A 96 10.987 -10.143 9.192 1.00 0.00 C ATOM 1328 CG PHE A 96 11.369 -9.098 10.216 1.00 0.00 C ATOM 1329 CD1 PHE A 96 10.390 -8.268 10.774 1.00 0.00 C ATOM 1330 CD2 PHE A 96 12.706 -8.965 10.611 1.00 0.00 C ATOM 1331 CE1 PHE A 96 10.747 -7.305 11.726 1.00 0.00 C ATOM 1332 CE2 PHE A 96 13.063 -8.002 11.563 1.00 0.00 C ATOM 1333 CZ PHE A 96 12.084 -7.172 12.120 1.00 0.00 C ATOM 0 H PHE A 96 10.303 -11.468 7.197 1.00 0.00 H new ATOM 0 HA PHE A 96 9.716 -8.809 8.064 1.00 0.00 H new ATOM 0 HB2 PHE A 96 10.169 -10.755 9.572 1.00 0.00 H new ATOM 0 HB3 PHE A 96 11.828 -10.812 9.011 1.00 0.00 H new ATOM 0 HD1 PHE A 96 9.359 -8.370 10.470 1.00 0.00 H new ATOM 0 HD2 PHE A 96 13.462 -9.605 10.181 1.00 0.00 H new ATOM 0 HE1 PHE A 96 9.991 -6.665 12.156 1.00 0.00 H new ATOM 0 HE2 PHE A 96 14.094 -7.900 11.867 1.00 0.00 H new ATOM 0 HZ PHE A 96 12.360 -6.429 12.854 1.00 0.00 H new ATOM 1343 N GLU A 97 12.715 -9.227 6.776 1.00 0.00 N ATOM 1344 CA GLU A 97 13.843 -8.398 6.265 1.00 0.00 C ATOM 1345 C GLU A 97 13.343 -7.512 5.109 1.00 0.00 C ATOM 1346 O GLU A 97 13.867 -6.444 4.887 1.00 0.00 O ATOM 1347 CB GLU A 97 15.047 -9.285 5.844 1.00 0.00 C ATOM 1348 CG GLU A 97 15.409 -9.053 4.379 1.00 0.00 C ATOM 1349 CD GLU A 97 16.657 -9.864 4.022 1.00 0.00 C ATOM 1350 OE1 GLU A 97 16.799 -10.958 4.544 1.00 0.00 O ATOM 1351 OE2 GLU A 97 17.449 -9.377 3.232 1.00 0.00 O ATOM 0 H GLU A 97 12.801 -10.234 6.638 1.00 0.00 H new ATOM 0 HA GLU A 97 14.204 -7.749 7.063 1.00 0.00 H new ATOM 0 HB2 GLU A 97 15.907 -9.061 6.475 1.00 0.00 H new ATOM 0 HB3 GLU A 97 14.802 -10.336 6.000 1.00 0.00 H new ATOM 0 HG2 GLU A 97 14.577 -9.346 3.738 1.00 0.00 H new ATOM 0 HG3 GLU A 97 15.590 -7.993 4.202 1.00 0.00 H new ATOM 1358 N ALA A 98 12.334 -7.928 4.379 1.00 0.00 N ATOM 1359 CA ALA A 98 11.836 -7.080 3.259 1.00 0.00 C ATOM 1360 C ALA A 98 11.151 -5.826 3.800 1.00 0.00 C ATOM 1361 O ALA A 98 11.565 -4.716 3.533 1.00 0.00 O ATOM 1362 CB ALA A 98 10.830 -7.874 2.424 1.00 0.00 C ATOM 0 H ALA A 98 11.841 -8.811 4.512 1.00 0.00 H new ATOM 0 HA ALA A 98 12.686 -6.786 2.643 1.00 0.00 H new ATOM 0 HB1 ALA A 98 10.466 -7.253 1.605 1.00 0.00 H new ATOM 0 HB2 ALA A 98 11.314 -8.762 2.018 1.00 0.00 H new ATOM 0 HB3 ALA A 98 9.991 -8.173 3.053 1.00 0.00 H new ATOM 1368 N TRP A 99 10.098 -5.998 4.541 1.00 0.00 N ATOM 1369 CA TRP A 99 9.358 -4.810 5.083 1.00 0.00 C ATOM 1370 C TRP A 99 10.303 -3.889 5.878 1.00 0.00 C ATOM 1371 O TRP A 99 9.964 -2.760 6.173 1.00 0.00 O ATOM 1372 CB TRP A 99 8.223 -5.312 5.987 1.00 0.00 C ATOM 1373 CG TRP A 99 7.500 -4.170 6.622 1.00 0.00 C ATOM 1374 CD1 TRP A 99 7.147 -4.112 7.928 1.00 0.00 C ATOM 1375 CD2 TRP A 99 7.018 -2.938 6.013 1.00 0.00 C ATOM 1376 NE1 TRP A 99 6.478 -2.926 8.158 1.00 0.00 N ATOM 1377 CE2 TRP A 99 6.373 -2.169 7.010 1.00 0.00 C ATOM 1378 CE3 TRP A 99 7.075 -2.418 4.708 1.00 0.00 C ATOM 1379 CZ2 TRP A 99 5.804 -0.931 6.723 1.00 0.00 C ATOM 1380 CZ3 TRP A 99 6.504 -1.169 4.416 1.00 0.00 C ATOM 1381 CH2 TRP A 99 5.869 -0.428 5.423 1.00 0.00 C ATOM 0 H TRP A 99 9.711 -6.905 4.800 1.00 0.00 H new ATOM 0 HA TRP A 99 8.949 -4.231 4.255 1.00 0.00 H new ATOM 0 HB2 TRP A 99 7.524 -5.909 5.401 1.00 0.00 H new ATOM 0 HB3 TRP A 99 8.630 -5.964 6.760 1.00 0.00 H new ATOM 0 HD1 TRP A 99 7.355 -4.870 8.669 1.00 0.00 H new ATOM 0 HE1 TRP A 99 6.107 -2.644 9.065 1.00 0.00 H new ATOM 0 HE3 TRP A 99 7.561 -2.982 3.926 1.00 0.00 H new ATOM 0 HZ2 TRP A 99 5.316 -0.364 7.501 1.00 0.00 H new ATOM 0 HZ3 TRP A 99 6.554 -0.777 3.411 1.00 0.00 H new ATOM 0 HH2 TRP A 99 5.430 0.532 5.193 1.00 0.00 H new ATOM 1392 N ASN A 100 11.477 -4.348 6.233 1.00 0.00 N ATOM 1393 CA ASN A 100 12.412 -3.475 7.009 1.00 0.00 C ATOM 1394 C ASN A 100 13.185 -2.527 6.067 1.00 0.00 C ATOM 1395 O ASN A 100 13.257 -1.339 6.311 1.00 0.00 O ATOM 1396 CB ASN A 100 13.399 -4.345 7.798 1.00 0.00 C ATOM 1397 CG ASN A 100 12.763 -4.757 9.129 1.00 0.00 C ATOM 1398 OD1 ASN A 100 13.173 -4.300 10.178 1.00 0.00 O ATOM 1399 ND2 ASN A 100 11.774 -5.606 9.131 1.00 0.00 N ATOM 0 H ASN A 100 11.827 -5.282 6.021 1.00 0.00 H new ATOM 0 HA ASN A 100 11.827 -2.870 7.702 1.00 0.00 H new ATOM 0 HB2 ASN A 100 13.664 -5.230 7.219 1.00 0.00 H new ATOM 0 HB3 ASN A 100 14.322 -3.794 7.979 1.00 0.00 H new ATOM 0 HD21 ASN A 100 11.344 -5.887 10.013 1.00 0.00 H new ATOM 0 HD22 ASN A 100 11.430 -5.990 8.251 1.00 0.00 H new ATOM 1406 N ILE A 101 13.763 -3.025 4.997 1.00 0.00 N ATOM 1407 CA ILE A 101 14.518 -2.132 4.069 1.00 0.00 C ATOM 1408 C ILE A 101 13.647 -0.950 3.667 1.00 0.00 C ATOM 1409 O ILE A 101 14.104 0.173 3.580 1.00 0.00 O ATOM 1410 CB ILE A 101 14.869 -2.910 2.806 1.00 0.00 C ATOM 1411 CG1 ILE A 101 15.928 -3.948 3.117 1.00 0.00 C ATOM 1412 CG2 ILE A 101 15.361 -1.963 1.713 1.00 0.00 C ATOM 1413 CD1 ILE A 101 15.241 -5.303 3.096 1.00 0.00 C ATOM 0 H ILE A 101 13.742 -4.009 4.730 1.00 0.00 H new ATOM 0 HA ILE A 101 15.419 -1.779 4.570 1.00 0.00 H new ATOM 0 HB ILE A 101 13.973 -3.415 2.445 1.00 0.00 H new ATOM 0 HG12 ILE A 101 16.732 -3.912 2.381 1.00 0.00 H new ATOM 0 HG13 ILE A 101 16.379 -3.759 4.091 1.00 0.00 H new ATOM 0 HG21 ILE A 101 15.607 -2.536 0.819 1.00 0.00 H new ATOM 0 HG22 ILE A 101 14.579 -1.241 1.478 1.00 0.00 H new ATOM 0 HG23 ILE A 101 16.249 -1.435 2.061 1.00 0.00 H new ATOM 0 HD11 ILE A 101 15.969 -6.084 3.316 1.00 0.00 H new ATOM 0 HD12 ILE A 101 14.451 -5.322 3.847 1.00 0.00 H new ATOM 0 HD13 ILE A 101 14.809 -5.477 2.110 1.00 0.00 H new ATOM 1425 N ILE A 102 12.396 -1.195 3.408 1.00 0.00 N ATOM 1426 CA ILE A 102 11.502 -0.084 2.994 1.00 0.00 C ATOM 1427 C ILE A 102 11.437 0.949 4.114 1.00 0.00 C ATOM 1428 O ILE A 102 11.705 2.114 3.922 1.00 0.00 O ATOM 1429 CB ILE A 102 10.116 -0.647 2.766 1.00 0.00 C ATOM 1430 CG1 ILE A 102 10.070 -1.449 1.490 1.00 0.00 C ATOM 1431 CG2 ILE A 102 9.086 0.476 2.697 1.00 0.00 C ATOM 1432 CD1 ILE A 102 9.718 -2.875 1.883 1.00 0.00 C ATOM 0 H ILE A 102 11.955 -2.113 3.465 1.00 0.00 H new ATOM 0 HA ILE A 102 11.878 0.383 2.084 1.00 0.00 H new ATOM 0 HB ILE A 102 9.878 -1.300 3.606 1.00 0.00 H new ATOM 0 HG12 ILE A 102 9.327 -1.042 0.804 1.00 0.00 H new ATOM 0 HG13 ILE A 102 11.031 -1.415 0.977 1.00 0.00 H new ATOM 0 HG21 ILE A 102 8.096 0.052 2.533 1.00 0.00 H new ATOM 0 HG22 ILE A 102 9.091 1.033 3.634 1.00 0.00 H new ATOM 0 HG23 ILE A 102 9.334 1.147 1.875 1.00 0.00 H new ATOM 0 HD11 ILE A 102 9.672 -3.498 0.990 1.00 0.00 H new ATOM 0 HD12 ILE A 102 10.479 -3.265 2.559 1.00 0.00 H new ATOM 0 HD13 ILE A 102 8.749 -2.886 2.383 1.00 0.00 H new ATOM 1444 N LYS A 103 11.060 0.521 5.283 1.00 0.00 N ATOM 1445 CA LYS A 103 10.958 1.468 6.433 1.00 0.00 C ATOM 1446 C LYS A 103 12.175 2.395 6.452 1.00 0.00 C ATOM 1447 O LYS A 103 12.092 3.543 6.841 1.00 0.00 O ATOM 1448 CB LYS A 103 10.907 0.680 7.742 1.00 0.00 C ATOM 1449 CG LYS A 103 9.639 -0.170 7.778 1.00 0.00 C ATOM 1450 CD LYS A 103 8.569 0.544 8.608 1.00 0.00 C ATOM 1451 CE LYS A 103 8.955 0.493 10.086 1.00 0.00 C ATOM 1452 NZ LYS A 103 8.848 1.857 10.677 1.00 0.00 N ATOM 0 H LYS A 103 10.816 -0.446 5.496 1.00 0.00 H new ATOM 0 HA LYS A 103 10.051 2.062 6.325 1.00 0.00 H new ATOM 0 HB2 LYS A 103 11.787 0.043 7.829 1.00 0.00 H new ATOM 0 HB3 LYS A 103 10.923 1.364 8.591 1.00 0.00 H new ATOM 0 HG2 LYS A 103 9.274 -0.341 6.765 1.00 0.00 H new ATOM 0 HG3 LYS A 103 9.856 -1.148 8.208 1.00 0.00 H new ATOM 0 HD2 LYS A 103 8.471 1.579 8.282 1.00 0.00 H new ATOM 0 HD3 LYS A 103 7.599 0.069 8.457 1.00 0.00 H new ATOM 0 HE2 LYS A 103 8.302 -0.198 10.619 1.00 0.00 H new ATOM 0 HE3 LYS A 103 9.973 0.117 10.194 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 9.111 1.821 11.683 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 9.488 2.504 10.175 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 7.870 2.199 10.587 1.00 0.00 H new ATOM 1466 N ALA A 104 13.304 1.893 6.050 1.00 0.00 N ATOM 1467 CA ALA A 104 14.545 2.725 6.055 1.00 0.00 C ATOM 1468 C ALA A 104 14.572 3.654 4.835 1.00 0.00 C ATOM 1469 O ALA A 104 15.487 4.434 4.658 1.00 0.00 O ATOM 1470 CB ALA A 104 15.766 1.806 6.013 1.00 0.00 C ATOM 0 H ALA A 104 13.427 0.937 5.715 1.00 0.00 H new ATOM 0 HA ALA A 104 14.561 3.331 6.961 1.00 0.00 H new ATOM 0 HB1 ALA A 104 16.675 2.408 6.016 1.00 0.00 H new ATOM 0 HB2 ALA A 104 15.760 1.153 6.886 1.00 0.00 H new ATOM 0 HB3 ALA A 104 15.735 1.201 5.107 1.00 0.00 H new ATOM 1476 N LEU A 105 13.582 3.574 3.991 1.00 0.00 N ATOM 1477 CA LEU A 105 13.555 4.447 2.782 1.00 0.00 C ATOM 1478 C LEU A 105 13.273 5.904 3.196 1.00 0.00 C ATOM 1479 O LEU A 105 13.064 6.171 4.362 1.00 0.00 O ATOM 1480 CB LEU A 105 12.491 3.895 1.802 1.00 0.00 C ATOM 1481 CG LEU A 105 11.026 4.032 2.304 1.00 0.00 C ATOM 1482 CD1 LEU A 105 10.907 4.720 3.672 1.00 0.00 C ATOM 1483 CD2 LEU A 105 10.228 4.840 1.278 1.00 0.00 C ATOM 0 H LEU A 105 12.788 2.941 4.085 1.00 0.00 H new ATOM 0 HA LEU A 105 14.521 4.443 2.276 1.00 0.00 H new ATOM 0 HB2 LEU A 105 12.586 4.416 0.849 1.00 0.00 H new ATOM 0 HB3 LEU A 105 12.701 2.842 1.612 1.00 0.00 H new ATOM 0 HG LEU A 105 10.635 3.021 2.421 1.00 0.00 H new ATOM 0 HD11 LEU A 105 9.857 4.781 3.959 1.00 0.00 H new ATOM 0 HD12 LEU A 105 11.454 4.143 4.418 1.00 0.00 H new ATOM 0 HD13 LEU A 105 11.325 5.725 3.612 1.00 0.00 H new ATOM 0 HD21 LEU A 105 9.198 4.944 1.618 1.00 0.00 H new ATOM 0 HD22 LEU A 105 10.674 5.828 1.166 1.00 0.00 H new ATOM 0 HD23 LEU A 105 10.243 4.325 0.318 1.00 0.00 H new ATOM 1495 N PRO A 106 13.273 6.808 2.242 1.00 0.00 N ATOM 1496 CA PRO A 106 13.017 8.231 2.515 1.00 0.00 C ATOM 1497 C PRO A 106 11.511 8.498 2.582 1.00 0.00 C ATOM 1498 O PRO A 106 10.705 7.650 2.256 1.00 0.00 O ATOM 1499 CB PRO A 106 13.651 8.944 1.318 1.00 0.00 C ATOM 1500 CG PRO A 106 13.726 7.902 0.175 1.00 0.00 C ATOM 1501 CD PRO A 106 13.541 6.514 0.819 1.00 0.00 C ATOM 0 HA PRO A 106 13.425 8.568 3.468 1.00 0.00 H new ATOM 0 HB2 PRO A 106 13.054 9.806 1.019 1.00 0.00 H new ATOM 0 HB3 PRO A 106 14.644 9.316 1.570 1.00 0.00 H new ATOM 0 HG2 PRO A 106 12.951 8.089 -0.569 1.00 0.00 H new ATOM 0 HG3 PRO A 106 14.684 7.963 -0.341 1.00 0.00 H new ATOM 0 HD2 PRO A 106 12.714 5.970 0.362 1.00 0.00 H new ATOM 0 HD3 PRO A 106 14.432 5.898 0.701 1.00 0.00 H new ATOM 1509 N ASP A 107 11.127 9.669 3.009 1.00 0.00 N ATOM 1510 CA ASP A 107 9.676 9.988 3.104 1.00 0.00 C ATOM 1511 C ASP A 107 9.225 10.725 1.841 1.00 0.00 C ATOM 1512 O ASP A 107 9.229 11.939 1.783 1.00 0.00 O ATOM 1513 CB ASP A 107 9.431 10.875 4.326 1.00 0.00 C ATOM 1514 CG ASP A 107 10.149 10.278 5.538 1.00 0.00 C ATOM 1515 OD1 ASP A 107 9.981 9.093 5.777 1.00 0.00 O ATOM 1516 OD2 ASP A 107 10.854 11.015 6.207 1.00 0.00 O ATOM 0 H ASP A 107 11.756 10.419 3.296 1.00 0.00 H new ATOM 0 HA ASP A 107 9.108 9.063 3.203 1.00 0.00 H new ATOM 0 HB2 ASP A 107 9.794 11.885 4.135 1.00 0.00 H new ATOM 0 HB3 ASP A 107 8.362 10.953 4.524 1.00 0.00 H new ATOM 1521 N GLY A 108 8.833 9.999 0.831 1.00 0.00 N ATOM 1522 CA GLY A 108 8.376 10.654 -0.432 1.00 0.00 C ATOM 1523 C GLY A 108 7.444 9.697 -1.181 1.00 0.00 C ATOM 1524 O GLY A 108 6.648 9.012 -0.571 1.00 0.00 O ATOM 0 H GLY A 108 8.808 8.979 0.823 1.00 0.00 H new ATOM 0 HA2 GLY A 108 7.857 11.586 -0.206 1.00 0.00 H new ATOM 0 HA3 GLY A 108 9.233 10.909 -1.055 1.00 0.00 H new ATOM 1528 N PRO A 109 7.573 9.673 -2.482 1.00 0.00 N ATOM 1529 CA PRO A 109 6.752 8.802 -3.342 1.00 0.00 C ATOM 1530 C PRO A 109 7.250 7.358 -3.280 1.00 0.00 C ATOM 1531 O PRO A 109 8.144 6.970 -4.007 1.00 0.00 O ATOM 1532 CB PRO A 109 6.954 9.384 -4.743 1.00 0.00 C ATOM 1533 CG PRO A 109 8.283 10.172 -4.700 1.00 0.00 C ATOM 1534 CD PRO A 109 8.545 10.508 -3.220 1.00 0.00 C ATOM 0 HA PRO A 109 5.705 8.774 -3.041 1.00 0.00 H new ATOM 0 HB2 PRO A 109 6.996 8.592 -5.490 1.00 0.00 H new ATOM 0 HB3 PRO A 109 6.124 10.036 -5.016 1.00 0.00 H new ATOM 0 HG2 PRO A 109 9.099 9.579 -5.113 1.00 0.00 H new ATOM 0 HG3 PRO A 109 8.215 11.081 -5.298 1.00 0.00 H new ATOM 0 HD2 PRO A 109 9.570 10.273 -2.934 1.00 0.00 H new ATOM 0 HD3 PRO A 109 8.393 11.568 -3.019 1.00 0.00 H new ATOM 1542 N VAL A 110 6.659 6.548 -2.444 1.00 0.00 N ATOM 1543 CA VAL A 110 7.083 5.131 -2.379 1.00 0.00 C ATOM 1544 C VAL A 110 6.287 4.406 -3.436 1.00 0.00 C ATOM 1545 O VAL A 110 5.090 4.246 -3.331 1.00 0.00 O ATOM 1546 CB VAL A 110 6.787 4.550 -1.001 1.00 0.00 C ATOM 1547 CG1 VAL A 110 5.470 5.101 -0.478 1.00 0.00 C ATOM 1548 CG2 VAL A 110 6.683 3.022 -1.070 1.00 0.00 C ATOM 0 H VAL A 110 5.905 6.809 -1.808 1.00 0.00 H new ATOM 0 HA VAL A 110 8.155 5.029 -2.549 1.00 0.00 H new ATOM 0 HB VAL A 110 7.603 4.829 -0.334 1.00 0.00 H new ATOM 0 HG11 VAL A 110 5.265 4.681 0.507 1.00 0.00 H new ATOM 0 HG12 VAL A 110 5.534 6.187 -0.404 1.00 0.00 H new ATOM 0 HG13 VAL A 110 4.665 4.831 -1.162 1.00 0.00 H new ATOM 0 HG21 VAL A 110 6.471 2.626 -0.077 1.00 0.00 H new ATOM 0 HG22 VAL A 110 5.879 2.742 -1.751 1.00 0.00 H new ATOM 0 HG23 VAL A 110 7.625 2.609 -1.432 1.00 0.00 H new ATOM 1558 N THR A 111 6.938 4.014 -4.478 1.00 0.00 N ATOM 1559 CA THR A 111 6.209 3.353 -5.586 1.00 0.00 C ATOM 1560 C THR A 111 6.124 1.852 -5.363 1.00 0.00 C ATOM 1561 O THR A 111 7.069 1.203 -4.959 1.00 0.00 O ATOM 1562 CB THR A 111 6.920 3.629 -6.910 1.00 0.00 C ATOM 1563 OG1 THR A 111 6.226 2.970 -7.963 1.00 0.00 O ATOM 1564 CG2 THR A 111 8.358 3.113 -6.843 1.00 0.00 C ATOM 0 H THR A 111 7.943 4.120 -4.616 1.00 0.00 H new ATOM 0 HA THR A 111 5.198 3.758 -5.617 1.00 0.00 H new ATOM 0 HB THR A 111 6.934 4.703 -7.096 1.00 0.00 H new ATOM 0 HG1 THR A 111 6.679 3.147 -8.814 1.00 0.00 H new ATOM 0 HG21 THR A 111 8.861 3.312 -7.790 1.00 0.00 H new ATOM 0 HG22 THR A 111 8.889 3.619 -6.037 1.00 0.00 H new ATOM 0 HG23 THR A 111 8.351 2.039 -6.655 1.00 0.00 H new ATOM 1572 N ILE A 112 4.981 1.308 -5.637 1.00 0.00 N ATOM 1573 CA ILE A 112 4.762 -0.138 -5.473 1.00 0.00 C ATOM 1574 C ILE A 112 4.258 -0.724 -6.787 1.00 0.00 C ATOM 1575 O ILE A 112 3.662 -0.042 -7.598 1.00 0.00 O ATOM 1576 CB ILE A 112 3.717 -0.375 -4.385 1.00 0.00 C ATOM 1577 CG1 ILE A 112 2.769 0.823 -4.301 1.00 0.00 C ATOM 1578 CG2 ILE A 112 4.407 -0.579 -3.038 1.00 0.00 C ATOM 1579 CD1 ILE A 112 1.741 0.571 -3.202 1.00 0.00 C ATOM 0 H ILE A 112 4.169 1.824 -5.977 1.00 0.00 H new ATOM 0 HA ILE A 112 5.699 -0.617 -5.191 1.00 0.00 H new ATOM 0 HB ILE A 112 3.144 -1.268 -4.634 1.00 0.00 H new ATOM 0 HG12 ILE A 112 3.331 1.733 -4.089 1.00 0.00 H new ATOM 0 HG13 ILE A 112 2.268 0.974 -5.257 1.00 0.00 H new ATOM 0 HG21 ILE A 112 3.656 -0.748 -2.266 1.00 0.00 H new ATOM 0 HG22 ILE A 112 5.069 -1.443 -3.095 1.00 0.00 H new ATOM 0 HG23 ILE A 112 4.990 0.308 -2.790 1.00 0.00 H new ATOM 0 HD11 ILE A 112 1.062 1.421 -3.137 1.00 0.00 H new ATOM 0 HD12 ILE A 112 1.173 -0.330 -3.435 1.00 0.00 H new ATOM 0 HD13 ILE A 112 2.252 0.441 -2.248 1.00 0.00 H new ATOM 1591 N VAL A 113 4.475 -1.986 -6.991 1.00 0.00 N ATOM 1592 CA VAL A 113 3.994 -2.635 -8.236 1.00 0.00 C ATOM 1593 C VAL A 113 3.461 -4.006 -7.851 1.00 0.00 C ATOM 1594 O VAL A 113 4.205 -4.885 -7.462 1.00 0.00 O ATOM 1595 CB VAL A 113 5.138 -2.793 -9.239 1.00 0.00 C ATOM 1596 CG1 VAL A 113 4.599 -2.595 -10.657 1.00 0.00 C ATOM 1597 CG2 VAL A 113 6.226 -1.752 -8.960 1.00 0.00 C ATOM 0 H VAL A 113 4.968 -2.602 -6.345 1.00 0.00 H new ATOM 0 HA VAL A 113 3.220 -2.026 -8.704 1.00 0.00 H new ATOM 0 HB VAL A 113 5.564 -3.791 -9.142 1.00 0.00 H new ATOM 0 HG11 VAL A 113 5.412 -2.707 -11.374 1.00 0.00 H new ATOM 0 HG12 VAL A 113 3.830 -3.340 -10.861 1.00 0.00 H new ATOM 0 HG13 VAL A 113 4.170 -1.597 -10.747 1.00 0.00 H new ATOM 0 HG21 VAL A 113 7.037 -1.872 -9.679 1.00 0.00 H new ATOM 0 HG22 VAL A 113 5.804 -0.751 -9.052 1.00 0.00 H new ATOM 0 HG23 VAL A 113 6.613 -1.891 -7.950 1.00 0.00 H new ATOM 1607 N ILE A 114 2.181 -4.188 -7.910 1.00 0.00 N ATOM 1608 CA ILE A 114 1.612 -5.495 -7.497 1.00 0.00 C ATOM 1609 C ILE A 114 0.808 -6.122 -8.632 1.00 0.00 C ATOM 1610 O ILE A 114 0.148 -5.448 -9.398 1.00 0.00 O ATOM 1611 CB ILE A 114 0.699 -5.281 -6.285 1.00 0.00 C ATOM 1612 CG1 ILE A 114 -0.634 -4.678 -6.739 1.00 0.00 C ATOM 1613 CG2 ILE A 114 1.368 -4.323 -5.298 1.00 0.00 C ATOM 1614 CD1 ILE A 114 -1.577 -5.799 -7.178 1.00 0.00 C ATOM 0 H ILE A 114 1.503 -3.494 -8.225 1.00 0.00 H new ATOM 0 HA ILE A 114 2.430 -6.169 -7.241 1.00 0.00 H new ATOM 0 HB ILE A 114 0.521 -6.242 -5.802 1.00 0.00 H new ATOM 0 HG12 ILE A 114 -1.083 -4.108 -5.926 1.00 0.00 H new ATOM 0 HG13 ILE A 114 -0.469 -3.983 -7.563 1.00 0.00 H new ATOM 0 HG21 ILE A 114 0.716 -4.173 -4.438 1.00 0.00 H new ATOM 0 HG22 ILE A 114 2.316 -4.746 -4.966 1.00 0.00 H new ATOM 0 HG23 ILE A 114 1.550 -3.366 -5.787 1.00 0.00 H new ATOM 0 HD11 ILE A 114 -2.526 -5.371 -7.501 1.00 0.00 H new ATOM 0 HD12 ILE A 114 -1.127 -6.350 -8.004 1.00 0.00 H new ATOM 0 HD13 ILE A 114 -1.751 -6.477 -6.342 1.00 0.00 H new ATOM 1626 N ARG A 115 0.833 -7.419 -8.707 1.00 0.00 N ATOM 1627 CA ARG A 115 0.045 -8.129 -9.750 1.00 0.00 C ATOM 1628 C ARG A 115 -0.942 -9.030 -9.010 1.00 0.00 C ATOM 1629 O ARG A 115 -0.563 -10.006 -8.394 1.00 0.00 O ATOM 1630 CB ARG A 115 0.976 -8.965 -10.652 1.00 0.00 C ATOM 1631 CG ARG A 115 0.214 -10.161 -11.235 1.00 0.00 C ATOM 1632 CD ARG A 115 0.895 -10.623 -12.524 1.00 0.00 C ATOM 1633 NE ARG A 115 2.099 -11.435 -12.186 1.00 0.00 N ATOM 1634 CZ ARG A 115 3.291 -10.986 -12.466 1.00 0.00 C ATOM 1635 NH1 ARG A 115 3.483 -10.272 -13.541 1.00 0.00 N ATOM 1636 NH2 ARG A 115 4.289 -11.246 -11.667 1.00 0.00 N ATOM 0 H ARG A 115 1.370 -8.024 -8.086 1.00 0.00 H new ATOM 0 HA ARG A 115 -0.479 -7.425 -10.396 1.00 0.00 H new ATOM 0 HB2 ARG A 115 1.366 -8.345 -11.459 1.00 0.00 H new ATOM 0 HB3 ARG A 115 1.833 -9.316 -10.077 1.00 0.00 H new ATOM 0 HG2 ARG A 115 0.189 -10.977 -10.512 1.00 0.00 H new ATOM 0 HG3 ARG A 115 -0.820 -9.883 -11.438 1.00 0.00 H new ATOM 0 HD2 ARG A 115 0.201 -11.213 -13.123 1.00 0.00 H new ATOM 0 HD3 ARG A 115 1.182 -9.761 -13.126 1.00 0.00 H new ATOM 0 HE ARG A 115 1.990 -12.343 -11.735 1.00 0.00 H new ATOM 0 HH11 ARG A 115 2.701 -10.065 -14.162 1.00 0.00 H new ATOM 0 HH12 ARG A 115 4.415 -9.921 -13.760 1.00 0.00 H new ATOM 0 HH21 ARG A 115 4.137 -11.800 -10.824 1.00 0.00 H new ATOM 0 HH22 ARG A 115 5.222 -10.895 -11.885 1.00 0.00 H new ATOM 1650 N ARG A 116 -2.201 -8.699 -9.035 1.00 0.00 N ATOM 1651 CA ARG A 116 -3.186 -9.531 -8.297 1.00 0.00 C ATOM 1652 C ARG A 116 -3.936 -10.430 -9.280 1.00 0.00 C ATOM 1653 O ARG A 116 -4.315 -10.011 -10.356 1.00 0.00 O ATOM 1654 CB ARG A 116 -4.174 -8.618 -7.552 1.00 0.00 C ATOM 1655 CG ARG A 116 -5.303 -8.168 -8.486 1.00 0.00 C ATOM 1656 CD ARG A 116 -6.379 -9.254 -8.542 1.00 0.00 C ATOM 1657 NE ARG A 116 -7.678 -8.687 -8.082 1.00 0.00 N ATOM 1658 CZ ARG A 116 -8.564 -8.297 -8.955 1.00 0.00 C ATOM 1659 NH1 ARG A 116 -9.320 -9.173 -9.555 1.00 0.00 N ATOM 1660 NH2 ARG A 116 -8.693 -7.027 -9.228 1.00 0.00 N ATOM 0 H ARG A 116 -2.588 -7.895 -9.530 1.00 0.00 H new ATOM 0 HA ARG A 116 -2.666 -10.157 -7.572 1.00 0.00 H new ATOM 0 HB2 ARG A 116 -4.592 -9.148 -6.696 1.00 0.00 H new ATOM 0 HB3 ARG A 116 -3.649 -7.746 -7.162 1.00 0.00 H new ATOM 0 HG2 ARG A 116 -5.733 -7.232 -8.130 1.00 0.00 H new ATOM 0 HG3 ARG A 116 -4.910 -7.978 -9.485 1.00 0.00 H new ATOM 0 HD2 ARG A 116 -6.475 -9.634 -9.559 1.00 0.00 H new ATOM 0 HD3 ARG A 116 -6.094 -10.097 -7.912 1.00 0.00 H new ATOM 0 HE ARG A 116 -7.874 -8.604 -7.084 1.00 0.00 H new ATOM 0 HH11 ARG A 116 -9.219 -10.165 -9.342 1.00 0.00 H new ATOM 0 HH12 ARG A 116 -10.013 -8.866 -10.238 1.00 0.00 H new ATOM 0 HH21 ARG A 116 -8.101 -6.342 -8.759 1.00 0.00 H new ATOM 0 HH22 ARG A 116 -9.386 -6.720 -9.911 1.00 0.00 H new