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 Single : A 29 THR OG1 : rot -29:sc= 0.0855 USER MOD Single : A 31 CYS SG : rot 149:sc= -8.2! USER MOD Single : A 32 THR OG1 : rot 180:sc= 0.026 USER MOD Single : A 34 THR OG1 : rot 180:sc= 0.00246 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 SER OG : rot -100:sc= 1.5 USER MOD Single : A 60 THR OG1 : rot 180:sc= 0 USER MOD Single : A 62 ASN : amide:sc= -4.36! C(o=-4.4!,f=-5.6!) USER MOD Single : A 75 THR OG1 : rot 180:sc= -0.0693 USER MOD Single : A 77 GLN : amide:sc= -6.84! C(o=-6.8!,f=-8!) USER MOD Single : A 84 GLN : amide:sc= -2.79! C(o=-2.8!,f=-6.6!) USER MOD Single : A 88 THR OG1 : rot -171:sc= -1.82! USER MOD Single : A 90 MET CE :methyl -93:sc= -13.4! (180deg=-14.7!) USER MOD Single : A 91 GLN : amide:sc= -4.03! C(o=-4!,f=-13!) USER MOD Single : A 94 THR OG1 : rot -140:sc= -3.62! USER MOD Single : A 100 ASN : amide:sc= 0.561 K(o=0.56,f=-1.5!) 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 -4.182 -9.084 -12.946 1.00 0.00 N ATOM 350 CA THR A 29 -4.302 -7.602 -13.048 1.00 0.00 C ATOM 351 C THR A 29 -3.109 -6.927 -12.372 1.00 0.00 C ATOM 352 O THR A 29 -2.657 -7.341 -11.324 1.00 0.00 O ATOM 353 CB THR A 29 -5.592 -7.149 -12.358 1.00 0.00 C ATOM 354 OG1 THR A 29 -5.568 -7.547 -10.993 1.00 0.00 O ATOM 355 CG2 THR A 29 -6.793 -7.784 -13.056 1.00 0.00 C ATOM 0 HA THR A 29 -4.323 -7.321 -14.101 1.00 0.00 H new ATOM 0 HB THR A 29 -5.672 -6.063 -12.415 1.00 0.00 H new ATOM 0 HG1 THR A 29 -5.035 -8.364 -10.900 1.00 0.00 H new ATOM 0 HG21 THR A 29 -7.711 -7.462 -12.565 1.00 0.00 H new ATOM 0 HG22 THR A 29 -6.812 -7.474 -14.101 1.00 0.00 H new ATOM 0 HG23 THR A 29 -6.714 -8.870 -13.001 1.00 0.00 H new ATOM 363 N VAL A 30 -2.609 -5.876 -12.962 1.00 0.00 N ATOM 364 CA VAL A 30 -1.457 -5.155 -12.353 1.00 0.00 C ATOM 365 C VAL A 30 -1.906 -3.759 -11.942 1.00 0.00 C ATOM 366 O VAL A 30 -2.726 -3.137 -12.589 1.00 0.00 O ATOM 367 CB VAL A 30 -0.315 -5.031 -13.370 1.00 0.00 C ATOM 368 CG1 VAL A 30 0.635 -3.893 -12.970 1.00 0.00 C ATOM 369 CG2 VAL A 30 0.467 -6.341 -13.420 1.00 0.00 C ATOM 0 H VAL A 30 -2.949 -5.485 -13.841 1.00 0.00 H new ATOM 0 HA VAL A 30 -1.106 -5.711 -11.484 1.00 0.00 H new ATOM 0 HB VAL A 30 -0.740 -4.813 -14.350 1.00 0.00 H new ATOM 0 HG11 VAL A 30 1.440 -3.817 -13.701 1.00 0.00 H new ATOM 0 HG12 VAL A 30 0.084 -2.953 -12.938 1.00 0.00 H new ATOM 0 HG13 VAL A 30 1.056 -4.100 -11.986 1.00 0.00 H new ATOM 0 HG21 VAL A 30 1.278 -6.253 -14.143 1.00 0.00 H new ATOM 0 HG22 VAL A 30 0.880 -6.556 -12.435 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -0.199 -7.151 -13.719 1.00 0.00 H new ATOM 379 N CYS A 31 -1.357 -3.255 -10.883 1.00 0.00 N ATOM 380 CA CYS A 31 -1.728 -1.885 -10.438 1.00 0.00 C ATOM 381 C CYS A 31 -0.483 -1.200 -9.878 1.00 0.00 C ATOM 382 O CYS A 31 -0.207 -1.254 -8.695 1.00 0.00 O ATOM 383 CB CYS A 31 -2.822 -1.944 -9.362 1.00 0.00 C ATOM 384 SG CYS A 31 -3.830 -3.436 -9.576 1.00 0.00 S ATOM 0 H CYS A 31 -0.666 -3.729 -10.302 1.00 0.00 H new ATOM 0 HA CYS A 31 -2.117 -1.321 -11.286 1.00 0.00 H new ATOM 0 HB2 CYS A 31 -2.368 -1.942 -8.371 1.00 0.00 H new ATOM 0 HB3 CYS A 31 -3.453 -1.058 -9.426 1.00 0.00 H new ATOM 0 HG CYS A 31 -4.261 -3.838 -8.417 1.00 0.00 H new ATOM 390 N THR A 32 0.278 -0.556 -10.725 1.00 0.00 N ATOM 391 CA THR A 32 1.507 0.134 -10.250 1.00 0.00 C ATOM 392 C THR A 32 1.086 1.381 -9.468 1.00 0.00 C ATOM 393 O THR A 32 0.278 2.162 -9.931 1.00 0.00 O ATOM 394 CB THR A 32 2.357 0.526 -11.460 1.00 0.00 C ATOM 395 OG1 THR A 32 2.125 -0.400 -12.514 1.00 0.00 O ATOM 396 CG2 THR A 32 3.835 0.497 -11.078 1.00 0.00 C ATOM 0 H THR A 32 0.098 -0.480 -11.726 1.00 0.00 H new ATOM 0 HA THR A 32 2.094 -0.519 -9.605 1.00 0.00 H new ATOM 0 HB THR A 32 2.087 1.531 -11.785 1.00 0.00 H new ATOM 0 HG1 THR A 32 2.666 -0.152 -13.292 1.00 0.00 H new ATOM 0 HG21 THR A 32 4.439 0.776 -11.941 1.00 0.00 H new ATOM 0 HG22 THR A 32 4.015 1.201 -10.266 1.00 0.00 H new ATOM 0 HG23 THR A 32 4.107 -0.507 -10.754 1.00 0.00 H new ATOM 404 N VAL A 33 1.581 1.561 -8.271 1.00 0.00 N ATOM 405 CA VAL A 33 1.140 2.744 -7.471 1.00 0.00 C ATOM 406 C VAL A 33 2.274 3.307 -6.601 1.00 0.00 C ATOM 407 O VAL A 33 3.251 2.645 -6.319 1.00 0.00 O ATOM 408 CB VAL A 33 0.002 2.312 -6.536 1.00 0.00 C ATOM 409 CG1 VAL A 33 -1.308 2.934 -7.007 1.00 0.00 C ATOM 410 CG2 VAL A 33 -0.140 0.783 -6.526 1.00 0.00 C ATOM 0 H VAL A 33 2.261 0.951 -7.817 1.00 0.00 H new ATOM 0 HA VAL A 33 0.821 3.516 -8.171 1.00 0.00 H new ATOM 0 HB VAL A 33 0.235 2.651 -5.527 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -2.116 2.627 -6.343 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -1.220 4.020 -6.994 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -1.525 2.600 -8.021 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -0.952 0.497 -5.857 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -0.359 0.431 -7.534 1.00 0.00 H new ATOM 0 HG23 VAL A 33 0.791 0.333 -6.180 1.00 0.00 H new ATOM 420 N THR A 34 2.119 4.529 -6.141 1.00 0.00 N ATOM 421 CA THR A 34 3.138 5.140 -5.249 1.00 0.00 C ATOM 422 C THR A 34 2.504 5.388 -3.880 1.00 0.00 C ATOM 423 O THR A 34 1.448 5.980 -3.776 1.00 0.00 O ATOM 424 CB THR A 34 3.617 6.478 -5.811 1.00 0.00 C ATOM 425 OG1 THR A 34 2.599 7.054 -6.615 1.00 0.00 O ATOM 426 CG2 THR A 34 4.901 6.289 -6.619 1.00 0.00 C ATOM 0 H THR A 34 1.320 5.127 -6.352 1.00 0.00 H new ATOM 0 HA THR A 34 3.989 4.463 -5.170 1.00 0.00 H new ATOM 0 HB THR A 34 3.834 7.153 -4.983 1.00 0.00 H new ATOM 0 HG1 THR A 34 2.910 7.912 -6.972 1.00 0.00 H new ATOM 0 HG21 THR A 34 5.229 7.251 -7.012 1.00 0.00 H new ATOM 0 HG22 THR A 34 5.678 5.876 -5.976 1.00 0.00 H new ATOM 0 HG23 THR A 34 4.713 5.604 -7.446 1.00 0.00 H new ATOM 434 N LEU A 35 3.126 4.935 -2.831 1.00 0.00 N ATOM 435 CA LEU A 35 2.531 5.148 -1.471 1.00 0.00 C ATOM 436 C LEU A 35 3.301 6.221 -0.702 1.00 0.00 C ATOM 437 O LEU A 35 3.841 5.954 0.350 1.00 0.00 O ATOM 438 CB LEU A 35 2.610 3.855 -0.688 1.00 0.00 C ATOM 439 CG LEU A 35 1.360 3.010 -0.947 1.00 0.00 C ATOM 440 CD1 LEU A 35 0.176 3.606 -0.184 1.00 0.00 C ATOM 441 CD2 LEU A 35 1.046 3.003 -2.446 1.00 0.00 C ATOM 0 H LEU A 35 4.012 4.430 -2.848 1.00 0.00 H new ATOM 0 HA LEU A 35 1.496 5.467 -1.594 1.00 0.00 H new ATOM 0 HB2 LEU A 35 3.502 3.299 -0.977 1.00 0.00 H new ATOM 0 HB3 LEU A 35 2.700 4.070 0.377 1.00 0.00 H new ATOM 0 HG LEU A 35 1.537 1.989 -0.609 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -0.715 3.005 -0.368 1.00 0.00 H new ATOM 0 HD12 LEU A 35 0.397 3.611 0.883 1.00 0.00 H new ATOM 0 HD13 LEU A 35 0.001 4.627 -0.523 1.00 0.00 H new ATOM 0 HD21 LEU A 35 0.156 2.401 -2.628 1.00 0.00 H new ATOM 0 HD22 LEU A 35 0.870 4.024 -2.786 1.00 0.00 H new ATOM 0 HD23 LEU A 35 1.889 2.579 -2.992 1.00 0.00 H new ATOM 453 N GLU A 36 3.336 7.418 -1.221 1.00 0.00 N ATOM 454 CA GLU A 36 4.071 8.555 -0.560 1.00 0.00 C ATOM 455 C GLU A 36 4.449 8.212 0.886 1.00 0.00 C ATOM 456 O GLU A 36 3.601 8.118 1.750 1.00 0.00 O ATOM 457 CB GLU A 36 3.186 9.803 -0.566 1.00 0.00 C ATOM 458 CG GLU A 36 3.750 10.821 -1.560 1.00 0.00 C ATOM 459 CD GLU A 36 2.598 11.508 -2.296 1.00 0.00 C ATOM 460 OE1 GLU A 36 1.724 10.805 -2.774 1.00 0.00 O ATOM 461 OE2 GLU A 36 2.611 12.726 -2.371 1.00 0.00 O ATOM 0 H GLU A 36 2.877 7.669 -2.097 1.00 0.00 H new ATOM 0 HA GLU A 36 4.988 8.737 -1.120 1.00 0.00 H new ATOM 0 HB2 GLU A 36 2.165 9.537 -0.841 1.00 0.00 H new ATOM 0 HB3 GLU A 36 3.145 10.238 0.433 1.00 0.00 H new ATOM 0 HG2 GLU A 36 4.353 11.562 -1.035 1.00 0.00 H new ATOM 0 HG3 GLU A 36 4.406 10.323 -2.274 1.00 0.00 H new ATOM 468 N LYS A 37 5.716 8.013 1.156 1.00 0.00 N ATOM 469 CA LYS A 37 6.124 7.663 2.546 1.00 0.00 C ATOM 470 C LYS A 37 6.100 8.920 3.418 1.00 0.00 C ATOM 471 O LYS A 37 6.758 9.901 3.135 1.00 0.00 O ATOM 472 CB LYS A 37 7.544 7.089 2.542 1.00 0.00 C ATOM 473 CG LYS A 37 7.540 5.689 1.925 1.00 0.00 C ATOM 474 CD LYS A 37 8.870 5.437 1.207 1.00 0.00 C ATOM 475 CE LYS A 37 8.979 6.352 -0.015 1.00 0.00 C ATOM 476 NZ LYS A 37 10.152 5.942 -0.841 1.00 0.00 N ATOM 0 H LYS A 37 6.476 8.078 0.479 1.00 0.00 H new ATOM 0 HA LYS A 37 5.431 6.922 2.943 1.00 0.00 H new ATOM 0 HB2 LYS A 37 8.208 7.743 1.976 1.00 0.00 H new ATOM 0 HB3 LYS A 37 7.931 7.046 3.560 1.00 0.00 H new ATOM 0 HG2 LYS A 37 7.387 4.939 2.701 1.00 0.00 H new ATOM 0 HG3 LYS A 37 6.712 5.593 1.222 1.00 0.00 H new ATOM 0 HD2 LYS A 37 9.702 5.622 1.887 1.00 0.00 H new ATOM 0 HD3 LYS A 37 8.936 4.394 0.899 1.00 0.00 H new ATOM 0 HE2 LYS A 37 8.066 6.295 -0.608 1.00 0.00 H new ATOM 0 HE3 LYS A 37 9.089 7.389 0.303 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 10.226 6.564 -1.671 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 11.020 6.018 -0.273 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 10.029 4.958 -1.155 1.00 0.00 H new ATOM 528 N GLY A 41 4.658 4.143 7.681 1.00 0.00 N ATOM 529 CA GLY A 41 5.308 3.335 6.608 1.00 0.00 C ATOM 530 C GLY A 41 4.255 2.896 5.588 1.00 0.00 C ATOM 531 O GLY A 41 3.697 1.822 5.679 1.00 0.00 O ATOM 0 HA2 GLY A 41 6.083 3.922 6.116 1.00 0.00 H new ATOM 0 HA3 GLY A 41 5.796 2.462 7.041 1.00 0.00 H new ATOM 535 N LEU A 42 3.980 3.724 4.613 1.00 0.00 N ATOM 536 CA LEU A 42 2.962 3.369 3.569 1.00 0.00 C ATOM 537 C LEU A 42 1.667 2.886 4.213 1.00 0.00 C ATOM 538 O LEU A 42 0.821 2.313 3.557 1.00 0.00 O ATOM 539 CB LEU A 42 3.492 2.258 2.659 1.00 0.00 C ATOM 540 CG LEU A 42 5.002 2.128 2.811 1.00 0.00 C ATOM 541 CD1 LEU A 42 5.518 1.077 1.835 1.00 0.00 C ATOM 542 CD2 LEU A 42 5.665 3.468 2.507 1.00 0.00 C ATOM 0 H LEU A 42 4.418 4.637 4.492 1.00 0.00 H new ATOM 0 HA LEU A 42 2.766 4.268 2.985 1.00 0.00 H new ATOM 0 HB2 LEU A 42 3.011 1.312 2.910 1.00 0.00 H new ATOM 0 HB3 LEU A 42 3.241 2.478 1.621 1.00 0.00 H new ATOM 0 HG LEU A 42 5.239 1.830 3.832 1.00 0.00 H new ATOM 0 HD11 LEU A 42 6.599 0.981 1.941 1.00 0.00 H new ATOM 0 HD12 LEU A 42 5.046 0.118 2.050 1.00 0.00 H new ATOM 0 HD13 LEU A 42 5.279 1.379 0.815 1.00 0.00 H new ATOM 0 HD21 LEU A 42 6.745 3.373 2.616 1.00 0.00 H new ATOM 0 HD22 LEU A 42 5.429 3.768 1.486 1.00 0.00 H new ATOM 0 HD23 LEU A 42 5.295 4.223 3.201 1.00 0.00 H new ATOM 554 N GLY A 43 1.495 3.095 5.483 1.00 0.00 N ATOM 555 CA GLY A 43 0.253 2.628 6.138 1.00 0.00 C ATOM 556 C GLY A 43 0.002 1.160 5.776 1.00 0.00 C ATOM 557 O GLY A 43 -1.085 0.656 5.963 1.00 0.00 O ATOM 0 H GLY A 43 2.161 3.568 6.094 1.00 0.00 H new ATOM 0 HA2 GLY A 43 0.337 2.737 7.219 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -0.590 3.241 5.820 1.00 0.00 H new ATOM 561 N PHE A 44 0.987 0.455 5.270 1.00 0.00 N ATOM 562 CA PHE A 44 0.755 -0.966 4.927 1.00 0.00 C ATOM 563 C PHE A 44 1.996 -1.788 5.265 1.00 0.00 C ATOM 564 O PHE A 44 3.120 -1.339 5.143 1.00 0.00 O ATOM 565 CB PHE A 44 0.376 -1.110 3.441 1.00 0.00 C ATOM 566 CG PHE A 44 1.588 -1.093 2.526 1.00 0.00 C ATOM 567 CD1 PHE A 44 2.539 -2.126 2.574 1.00 0.00 C ATOM 568 CD2 PHE A 44 1.733 -0.064 1.584 1.00 0.00 C ATOM 569 CE1 PHE A 44 3.624 -2.120 1.698 1.00 0.00 C ATOM 570 CE2 PHE A 44 2.814 -0.068 0.704 1.00 0.00 C ATOM 571 CZ PHE A 44 3.759 -1.090 0.761 1.00 0.00 C ATOM 0 H PHE A 44 1.927 0.805 5.085 1.00 0.00 H new ATOM 0 HA PHE A 44 -0.080 -1.344 5.517 1.00 0.00 H new ATOM 0 HB2 PHE A 44 -0.170 -2.042 3.298 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -0.297 -0.300 3.161 1.00 0.00 H new ATOM 0 HD1 PHE A 44 2.430 -2.926 3.291 1.00 0.00 H new ATOM 0 HD2 PHE A 44 1.006 0.733 1.540 1.00 0.00 H new ATOM 0 HE1 PHE A 44 4.359 -2.910 1.743 1.00 0.00 H new ATOM 0 HE2 PHE A 44 2.919 0.723 -0.024 1.00 0.00 H new ATOM 0 HZ PHE A 44 4.598 -1.087 0.080 1.00 0.00 H new ATOM 581 N SER A 45 1.779 -2.992 5.690 1.00 0.00 N ATOM 582 CA SER A 45 2.907 -3.903 6.057 1.00 0.00 C ATOM 583 C SER A 45 2.870 -5.113 5.126 1.00 0.00 C ATOM 584 O SER A 45 1.809 -5.608 4.782 1.00 0.00 O ATOM 585 CB SER A 45 2.742 -4.367 7.502 1.00 0.00 C ATOM 586 OG SER A 45 3.229 -5.697 7.628 1.00 0.00 O ATOM 0 H SER A 45 0.851 -3.400 5.804 1.00 0.00 H new ATOM 0 HA SER A 45 3.858 -3.380 5.959 1.00 0.00 H new ATOM 0 HB2 SER A 45 3.287 -3.703 8.173 1.00 0.00 H new ATOM 0 HB3 SER A 45 1.692 -4.323 7.792 1.00 0.00 H new ATOM 0 HG SER A 45 2.476 -6.324 7.618 1.00 0.00 H new ATOM 592 N LEU A 46 4.013 -5.580 4.701 1.00 0.00 N ATOM 593 CA LEU A 46 4.043 -6.741 3.759 1.00 0.00 C ATOM 594 C LEU A 46 4.100 -8.074 4.510 1.00 0.00 C ATOM 595 O LEU A 46 4.746 -8.200 5.531 1.00 0.00 O ATOM 596 CB LEU A 46 5.276 -6.636 2.860 1.00 0.00 C ATOM 597 CG LEU A 46 4.853 -6.246 1.446 1.00 0.00 C ATOM 598 CD1 LEU A 46 3.791 -5.145 1.511 1.00 0.00 C ATOM 599 CD2 LEU A 46 6.076 -5.736 0.684 1.00 0.00 C ATOM 0 H LEU A 46 4.927 -5.210 4.963 1.00 0.00 H new ATOM 0 HA LEU A 46 3.128 -6.713 3.167 1.00 0.00 H new ATOM 0 HB2 LEU A 46 5.967 -5.894 3.260 1.00 0.00 H new ATOM 0 HB3 LEU A 46 5.806 -7.588 2.841 1.00 0.00 H new ATOM 0 HG LEU A 46 4.436 -7.113 0.934 1.00 0.00 H new ATOM 0 HD11 LEU A 46 3.491 -4.869 0.500 1.00 0.00 H new ATOM 0 HD12 LEU A 46 2.923 -5.509 2.060 1.00 0.00 H new ATOM 0 HD13 LEU A 46 4.202 -4.272 2.019 1.00 0.00 H new ATOM 0 HD21 LEU A 46 5.783 -5.455 -0.328 1.00 0.00 H new ATOM 0 HD22 LEU A 46 6.488 -4.867 1.197 1.00 0.00 H new ATOM 0 HD23 LEU A 46 6.830 -6.522 0.638 1.00 0.00 H new ATOM 611 N GLU A 47 3.441 -9.082 3.989 1.00 0.00 N ATOM 612 CA GLU A 47 3.470 -10.420 4.648 1.00 0.00 C ATOM 613 C GLU A 47 3.816 -11.495 3.614 1.00 0.00 C ATOM 614 O GLU A 47 3.622 -11.321 2.429 1.00 0.00 O ATOM 615 CB GLU A 47 2.116 -10.736 5.270 1.00 0.00 C ATOM 616 CG GLU A 47 2.105 -10.249 6.722 1.00 0.00 C ATOM 617 CD GLU A 47 2.157 -8.720 6.756 1.00 0.00 C ATOM 618 OE1 GLU A 47 1.861 -8.112 5.742 1.00 0.00 O ATOM 619 OE2 GLU A 47 2.493 -8.183 7.800 1.00 0.00 O ATOM 0 H GLU A 47 2.885 -9.033 3.135 1.00 0.00 H new ATOM 0 HA GLU A 47 4.226 -10.406 5.433 1.00 0.00 H new ATOM 0 HB2 GLU A 47 1.320 -10.251 4.705 1.00 0.00 H new ATOM 0 HB3 GLU A 47 1.926 -11.809 5.232 1.00 0.00 H new ATOM 0 HG2 GLU A 47 1.206 -10.603 7.227 1.00 0.00 H new ATOM 0 HG3 GLU A 47 2.957 -10.663 7.261 1.00 0.00 H new ATOM 771 N LEU A 59 5.901 -11.798 -0.982 1.00 0.00 N ATOM 772 CA LEU A 59 5.483 -10.835 0.079 1.00 0.00 C ATOM 773 C LEU A 59 4.225 -10.097 -0.391 1.00 0.00 C ATOM 774 O LEU A 59 4.181 -9.560 -1.480 1.00 0.00 O ATOM 775 CB LEU A 59 6.606 -9.830 0.334 1.00 0.00 C ATOM 776 CG LEU A 59 7.434 -10.283 1.541 1.00 0.00 C ATOM 777 CD1 LEU A 59 8.872 -10.554 1.099 1.00 0.00 C ATOM 778 CD2 LEU A 59 7.431 -9.185 2.607 1.00 0.00 C ATOM 0 HA LEU A 59 5.272 -11.372 1.004 1.00 0.00 H new ATOM 0 HB2 LEU A 59 7.243 -9.749 -0.547 1.00 0.00 H new ATOM 0 HB3 LEU A 59 6.188 -8.840 0.517 1.00 0.00 H new ATOM 0 HG LEU A 59 7.000 -11.193 1.955 1.00 0.00 H new ATOM 0 HD11 LEU A 59 9.462 -10.876 1.957 1.00 0.00 H new ATOM 0 HD12 LEU A 59 8.878 -11.336 0.340 1.00 0.00 H new ATOM 0 HD13 LEU A 59 9.303 -9.643 0.684 1.00 0.00 H new ATOM 0 HD21 LEU A 59 8.020 -9.509 3.465 1.00 0.00 H new ATOM 0 HD22 LEU A 59 7.864 -8.274 2.193 1.00 0.00 H new ATOM 0 HD23 LEU A 59 6.407 -8.988 2.924 1.00 0.00 H new ATOM 790 N THR A 60 3.192 -10.089 0.407 1.00 0.00 N ATOM 791 CA THR A 60 1.929 -9.414 -0.010 1.00 0.00 C ATOM 792 C THR A 60 1.444 -8.474 1.118 1.00 0.00 C ATOM 793 O THR A 60 1.783 -8.679 2.265 1.00 0.00 O ATOM 794 CB THR A 60 0.886 -10.500 -0.251 1.00 0.00 C ATOM 795 OG1 THR A 60 1.017 -11.492 0.757 1.00 0.00 O ATOM 796 CG2 THR A 60 1.140 -11.109 -1.621 1.00 0.00 C ATOM 0 H THR A 60 3.168 -10.521 1.331 1.00 0.00 H new ATOM 0 HA THR A 60 2.089 -8.824 -0.912 1.00 0.00 H new ATOM 0 HB THR A 60 -0.122 -10.087 -0.216 1.00 0.00 H new ATOM 0 HG1 THR A 60 0.350 -12.195 0.613 1.00 0.00 H new ATOM 0 HG21 THR A 60 0.404 -11.890 -1.814 1.00 0.00 H new ATOM 0 HG22 THR A 60 1.057 -10.335 -2.384 1.00 0.00 H new ATOM 0 HG23 THR A 60 2.141 -11.539 -1.648 1.00 0.00 H new ATOM 804 N ILE A 61 0.650 -7.454 0.836 1.00 0.00 N ATOM 805 CA ILE A 61 0.187 -6.572 1.948 1.00 0.00 C ATOM 806 C ILE A 61 -0.913 -7.268 2.738 1.00 0.00 C ATOM 807 O ILE A 61 -1.946 -7.639 2.217 1.00 0.00 O ATOM 808 CB ILE A 61 -0.362 -5.270 1.399 1.00 0.00 C ATOM 809 CG1 ILE A 61 0.774 -4.408 0.857 1.00 0.00 C ATOM 810 CG2 ILE A 61 -1.051 -4.501 2.515 1.00 0.00 C ATOM 811 CD1 ILE A 61 0.199 -3.111 0.277 1.00 0.00 C ATOM 0 H ILE A 61 0.315 -7.206 -0.095 1.00 0.00 H new ATOM 0 HA ILE A 61 1.039 -6.364 2.595 1.00 0.00 H new ATOM 0 HB ILE A 61 -1.067 -5.499 0.600 1.00 0.00 H new ATOM 0 HG12 ILE A 61 1.483 -4.180 1.653 1.00 0.00 H new ATOM 0 HG13 ILE A 61 1.322 -4.952 0.087 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -1.446 -3.565 2.121 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -1.868 -5.099 2.918 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -0.333 -4.287 3.307 1.00 0.00 H new ATOM 0 HD11 ILE A 61 1.010 -2.495 -0.110 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -0.493 -3.349 -0.531 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -0.329 -2.566 1.059 1.00 0.00 H new ATOM 823 N ASN A 62 -0.682 -7.432 3.996 1.00 0.00 N ATOM 824 CA ASN A 62 -1.704 -8.100 4.874 1.00 0.00 C ATOM 825 C ASN A 62 -2.415 -7.094 5.781 1.00 0.00 C ATOM 826 O ASN A 62 -3.625 -7.096 5.887 1.00 0.00 O ATOM 827 CB ASN A 62 -1.048 -9.153 5.759 1.00 0.00 C ATOM 828 CG ASN A 62 -0.955 -10.476 4.998 1.00 0.00 C ATOM 829 OD1 ASN A 62 -1.162 -10.517 3.800 1.00 0.00 O ATOM 830 ND2 ASN A 62 -0.651 -11.566 5.646 1.00 0.00 N ATOM 0 H ASN A 62 0.170 -7.136 4.473 1.00 0.00 H new ATOM 0 HA ASN A 62 -2.432 -8.564 4.208 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -0.053 -8.823 6.058 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -1.627 -9.287 6.673 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -0.587 -12.454 5.148 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -0.478 -11.531 6.651 1.00 0.00 H new ATOM 837 N ARG A 63 -1.687 -6.253 6.455 1.00 0.00 N ATOM 838 CA ARG A 63 -2.350 -5.284 7.370 1.00 0.00 C ATOM 839 C ARG A 63 -2.188 -3.869 6.837 1.00 0.00 C ATOM 840 O ARG A 63 -1.137 -3.266 6.928 1.00 0.00 O ATOM 841 CB ARG A 63 -1.756 -5.392 8.780 1.00 0.00 C ATOM 842 CG ARG A 63 -0.239 -5.194 8.739 1.00 0.00 C ATOM 843 CD ARG A 63 0.379 -5.773 10.012 1.00 0.00 C ATOM 844 NE ARG A 63 1.810 -5.371 10.097 1.00 0.00 N ATOM 845 CZ ARG A 63 2.218 -4.618 11.082 1.00 0.00 C ATOM 846 NH1 ARG A 63 2.187 -5.071 12.305 1.00 0.00 N ATOM 847 NH2 ARG A 63 2.652 -3.411 10.843 1.00 0.00 N ATOM 0 H ARG A 63 -0.670 -6.193 6.414 1.00 0.00 H new ATOM 0 HA ARG A 63 -3.413 -5.521 7.422 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -2.209 -4.643 9.430 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -1.990 -6.368 9.206 1.00 0.00 H new ATOM 0 HG2 ARG A 63 0.180 -5.686 7.861 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -0.001 -4.134 8.655 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -0.163 -5.415 10.887 1.00 0.00 H new ATOM 0 HD3 ARG A 63 0.295 -6.860 10.008 1.00 0.00 H new ATOM 0 HE ARG A 63 2.471 -5.684 9.386 1.00 0.00 H new ATOM 0 HH11 ARG A 63 1.844 -6.013 12.491 1.00 0.00 H new ATOM 0 HH12 ARG A 63 2.506 -4.483 13.075 1.00 0.00 H new ATOM 0 HH21 ARG A 63 2.672 -3.056 9.887 1.00 0.00 H new ATOM 0 HH22 ARG A 63 2.971 -2.822 11.612 1.00 0.00 H new ATOM 861 N ILE A 64 -3.233 -3.345 6.270 1.00 0.00 N ATOM 862 CA ILE A 64 -3.173 -1.974 5.710 1.00 0.00 C ATOM 863 C ILE A 64 -3.844 -0.989 6.653 1.00 0.00 C ATOM 864 O ILE A 64 -4.815 -1.293 7.319 1.00 0.00 O ATOM 865 CB ILE A 64 -3.864 -1.955 4.353 1.00 0.00 C ATOM 866 CG1 ILE A 64 -3.020 -2.809 3.413 1.00 0.00 C ATOM 867 CG2 ILE A 64 -3.966 -0.514 3.834 1.00 0.00 C ATOM 868 CD1 ILE A 64 -3.027 -2.239 1.997 1.00 0.00 C ATOM 0 H ILE A 64 -4.134 -3.813 6.170 1.00 0.00 H new ATOM 0 HA ILE A 64 -2.130 -1.679 5.590 1.00 0.00 H new ATOM 0 HB ILE A 64 -4.878 -2.350 4.421 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -1.996 -2.859 3.783 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -3.404 -3.829 3.400 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -4.462 -0.511 2.863 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -4.543 0.086 4.538 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -2.966 -0.092 3.732 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -2.417 -2.868 1.349 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -4.050 -2.213 1.620 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -2.619 -1.228 2.010 1.00 0.00 H new ATOM 880 N PHE A 65 -3.316 0.191 6.709 1.00 0.00 N ATOM 881 CA PHE A 65 -3.887 1.233 7.605 1.00 0.00 C ATOM 882 C PHE A 65 -4.323 2.437 6.768 1.00 0.00 C ATOM 883 O PHE A 65 -5.337 3.053 7.028 1.00 0.00 O ATOM 884 CB PHE A 65 -2.822 1.658 8.621 1.00 0.00 C ATOM 885 CG PHE A 65 -1.972 0.449 8.994 1.00 0.00 C ATOM 886 CD1 PHE A 65 -2.553 -0.650 9.649 1.00 0.00 C ATOM 887 CD2 PHE A 65 -0.604 0.423 8.679 1.00 0.00 C ATOM 888 CE1 PHE A 65 -1.768 -1.766 9.985 1.00 0.00 C ATOM 889 CE2 PHE A 65 0.178 -0.696 9.018 1.00 0.00 C ATOM 890 CZ PHE A 65 -0.406 -1.786 9.669 1.00 0.00 C ATOM 0 H PHE A 65 -2.504 0.487 6.168 1.00 0.00 H new ATOM 0 HA PHE A 65 -4.753 0.836 8.135 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -2.194 2.443 8.200 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -3.296 2.072 9.511 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -3.605 -0.637 9.895 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -0.151 1.264 8.175 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -2.217 -2.610 10.488 1.00 0.00 H new ATOM 0 HE2 PHE A 65 1.230 -0.713 8.775 1.00 0.00 H new ATOM 0 HZ PHE A 65 0.195 -2.645 9.928 1.00 0.00 H new ATOM 1003 N GLU A 74 -7.130 4.554 -3.910 1.00 0.00 N ATOM 1004 CA GLU A 74 -6.962 3.121 -4.280 1.00 0.00 C ATOM 1005 C GLU A 74 -5.474 2.816 -4.459 1.00 0.00 C ATOM 1006 O GLU A 74 -5.061 2.228 -5.439 1.00 0.00 O ATOM 1007 CB GLU A 74 -7.703 2.842 -5.587 1.00 0.00 C ATOM 1008 CG GLU A 74 -7.559 4.044 -6.526 1.00 0.00 C ATOM 1009 CD GLU A 74 -7.859 3.609 -7.961 1.00 0.00 C ATOM 1010 OE1 GLU A 74 -6.940 3.163 -8.628 1.00 0.00 O ATOM 1011 OE2 GLU A 74 -9.003 3.728 -8.369 1.00 0.00 O ATOM 0 HA GLU A 74 -7.371 2.489 -3.491 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -7.300 1.947 -6.061 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -8.757 2.649 -5.385 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -8.242 4.838 -6.225 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -6.550 4.451 -6.461 1.00 0.00 H new ATOM 1018 N THR A 75 -4.667 3.221 -3.520 1.00 0.00 N ATOM 1019 CA THR A 75 -3.204 2.970 -3.626 1.00 0.00 C ATOM 1020 C THR A 75 -2.805 1.841 -2.677 1.00 0.00 C ATOM 1021 O THR A 75 -1.708 1.806 -2.156 1.00 0.00 O ATOM 1022 CB THR A 75 -2.453 4.247 -3.252 1.00 0.00 C ATOM 1023 OG1 THR A 75 -2.327 4.325 -1.838 1.00 0.00 O ATOM 1024 CG2 THR A 75 -3.240 5.450 -3.767 1.00 0.00 C ATOM 0 H THR A 75 -4.960 3.718 -2.679 1.00 0.00 H new ATOM 0 HA THR A 75 -2.953 2.681 -4.647 1.00 0.00 H new ATOM 0 HB THR A 75 -1.459 4.240 -3.699 1.00 0.00 H new ATOM 0 HG1 THR A 75 -1.844 5.143 -1.597 1.00 0.00 H new ATOM 0 HG21 THR A 75 -2.714 6.368 -3.506 1.00 0.00 H new ATOM 0 HG22 THR A 75 -3.338 5.384 -4.851 1.00 0.00 H new ATOM 0 HG23 THR A 75 -4.231 5.458 -3.313 1.00 0.00 H new ATOM 1032 N VAL A 76 -3.691 0.919 -2.455 1.00 0.00 N ATOM 1033 CA VAL A 76 -3.378 -0.218 -1.547 1.00 0.00 C ATOM 1034 C VAL A 76 -4.291 -1.392 -1.887 1.00 0.00 C ATOM 1035 O VAL A 76 -5.420 -1.214 -2.296 1.00 0.00 O ATOM 1036 CB VAL A 76 -3.606 0.196 -0.092 1.00 0.00 C ATOM 1037 CG1 VAL A 76 -2.350 0.880 0.455 1.00 0.00 C ATOM 1038 CG2 VAL A 76 -4.794 1.158 -0.008 1.00 0.00 C ATOM 0 H VAL A 76 -4.625 0.901 -2.864 1.00 0.00 H new ATOM 0 HA VAL A 76 -2.335 -0.507 -1.676 1.00 0.00 H new ATOM 0 HB VAL A 76 -3.819 -0.692 0.503 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -2.517 1.173 1.491 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -1.508 0.189 0.405 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -2.129 1.765 -0.141 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -4.953 1.450 1.030 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -4.587 2.045 -0.607 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -5.689 0.665 -0.387 1.00 0.00 H new ATOM 1048 N GLN A 77 -3.816 -2.593 -1.714 1.00 0.00 N ATOM 1049 CA GLN A 77 -4.670 -3.777 -2.027 1.00 0.00 C ATOM 1050 C GLN A 77 -4.368 -4.891 -1.018 1.00 0.00 C ATOM 1051 O GLN A 77 -3.244 -5.039 -0.584 1.00 0.00 O ATOM 1052 CB GLN A 77 -4.399 -4.276 -3.460 1.00 0.00 C ATOM 1053 CG GLN A 77 -3.129 -3.632 -4.034 1.00 0.00 C ATOM 1054 CD GLN A 77 -3.481 -2.325 -4.754 1.00 0.00 C ATOM 1055 OE1 GLN A 77 -2.704 -1.830 -5.547 1.00 0.00 O ATOM 1056 NE2 GLN A 77 -4.623 -1.739 -4.514 1.00 0.00 N ATOM 0 H GLN A 77 -2.880 -2.808 -1.372 1.00 0.00 H new ATOM 0 HA GLN A 77 -5.720 -3.491 -1.958 1.00 0.00 H new ATOM 0 HB2 GLN A 77 -4.292 -5.361 -3.457 1.00 0.00 H new ATOM 0 HB3 GLN A 77 -5.251 -4.041 -4.098 1.00 0.00 H new ATOM 0 HG2 GLN A 77 -2.418 -3.434 -3.232 1.00 0.00 H new ATOM 0 HG3 GLN A 77 -2.645 -4.319 -4.728 1.00 0.00 H new ATOM 0 HE21 GLN A 77 -5.278 -2.151 -3.849 1.00 0.00 H new ATOM 0 HE22 GLN A 77 -4.860 -0.869 -4.991 1.00 0.00 H new ATOM 1065 N PRO A 78 -5.387 -5.632 -0.660 1.00 0.00 N ATOM 1066 CA PRO A 78 -5.263 -6.732 0.315 1.00 0.00 C ATOM 1067 C PRO A 78 -4.667 -7.990 -0.329 1.00 0.00 C ATOM 1068 O PRO A 78 -5.243 -8.577 -1.223 1.00 0.00 O ATOM 1069 CB PRO A 78 -6.710 -6.983 0.754 1.00 0.00 C ATOM 1070 CG PRO A 78 -7.613 -6.437 -0.378 1.00 0.00 C ATOM 1071 CD PRO A 78 -6.756 -5.447 -1.189 1.00 0.00 C ATOM 0 HA PRO A 78 -4.597 -6.484 1.142 1.00 0.00 H new ATOM 0 HB2 PRO A 78 -6.888 -8.046 0.914 1.00 0.00 H new ATOM 0 HB3 PRO A 78 -6.922 -6.479 1.697 1.00 0.00 H new ATOM 0 HG2 PRO A 78 -7.972 -7.248 -1.012 1.00 0.00 H new ATOM 0 HG3 PRO A 78 -8.492 -5.941 0.033 1.00 0.00 H new ATOM 0 HD2 PRO A 78 -6.803 -5.662 -2.257 1.00 0.00 H new ATOM 0 HD3 PRO A 78 -7.099 -4.421 -1.055 1.00 0.00 H new ATOM 1079 N GLY A 79 -3.523 -8.419 0.138 1.00 0.00 N ATOM 1080 CA GLY A 79 -2.899 -9.665 -0.434 1.00 0.00 C ATOM 1081 C GLY A 79 -2.190 -9.369 -1.763 1.00 0.00 C ATOM 1082 O GLY A 79 -1.788 -10.277 -2.464 1.00 0.00 O ATOM 0 H GLY A 79 -2.992 -7.970 0.884 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -2.185 -10.078 0.279 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -3.668 -10.422 -0.589 1.00 0.00 H new ATOM 1086 N ASP A 80 -2.027 -8.127 -2.127 1.00 0.00 N ATOM 1087 CA ASP A 80 -1.344 -7.824 -3.412 1.00 0.00 C ATOM 1088 C ASP A 80 0.041 -8.494 -3.428 1.00 0.00 C ATOM 1089 O ASP A 80 0.803 -8.353 -2.492 1.00 0.00 O ATOM 1090 CB ASP A 80 -1.167 -6.309 -3.539 1.00 0.00 C ATOM 1091 CG ASP A 80 -0.861 -5.710 -2.166 1.00 0.00 C ATOM 1092 OD1 ASP A 80 -0.126 -6.333 -1.418 1.00 0.00 O ATOM 1093 OD2 ASP A 80 -1.364 -4.634 -1.888 1.00 0.00 O ATOM 0 H ASP A 80 -2.336 -7.315 -1.593 1.00 0.00 H new ATOM 0 HA ASP A 80 -1.942 -8.201 -4.241 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -0.357 -6.085 -4.233 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -2.072 -5.860 -3.949 1.00 0.00 H new ATOM 1098 N GLU A 81 0.403 -9.201 -4.478 1.00 0.00 N ATOM 1099 CA GLU A 81 1.771 -9.824 -4.488 1.00 0.00 C ATOM 1100 C GLU A 81 2.781 -8.743 -4.879 1.00 0.00 C ATOM 1101 O GLU A 81 3.531 -8.882 -5.825 1.00 0.00 O ATOM 1102 CB GLU A 81 1.859 -10.991 -5.489 1.00 0.00 C ATOM 1103 CG GLU A 81 3.192 -11.715 -5.290 1.00 0.00 C ATOM 1104 CD GLU A 81 3.934 -11.804 -6.624 1.00 0.00 C ATOM 1105 OE1 GLU A 81 3.859 -10.854 -7.386 1.00 0.00 O ATOM 1106 OE2 GLU A 81 4.564 -12.821 -6.862 1.00 0.00 O ATOM 0 H GLU A 81 -0.170 -9.370 -5.305 1.00 0.00 H new ATOM 0 HA GLU A 81 1.984 -10.224 -3.497 1.00 0.00 H new ATOM 0 HB2 GLU A 81 1.029 -11.681 -5.337 1.00 0.00 H new ATOM 0 HB3 GLU A 81 1.781 -10.618 -6.510 1.00 0.00 H new ATOM 0 HG2 GLU A 81 3.801 -11.182 -4.559 1.00 0.00 H new ATOM 0 HG3 GLU A 81 3.018 -12.715 -4.892 1.00 0.00 H new ATOM 1113 N ILE A 82 2.798 -7.664 -4.144 1.00 0.00 N ATOM 1114 CA ILE A 82 3.755 -6.550 -4.447 1.00 0.00 C ATOM 1115 C ILE A 82 5.181 -7.119 -4.515 1.00 0.00 C ATOM 1116 O ILE A 82 5.704 -7.601 -3.529 1.00 0.00 O ATOM 1117 CB ILE A 82 3.658 -5.511 -3.324 1.00 0.00 C ATOM 1118 CG1 ILE A 82 2.181 -5.295 -2.967 1.00 0.00 C ATOM 1119 CG2 ILE A 82 4.266 -4.188 -3.792 1.00 0.00 C ATOM 1120 CD1 ILE A 82 2.010 -3.979 -2.209 1.00 0.00 C ATOM 0 H ILE A 82 2.189 -7.501 -3.342 1.00 0.00 H new ATOM 0 HA ILE A 82 3.512 -6.083 -5.402 1.00 0.00 H new ATOM 0 HB ILE A 82 4.202 -5.867 -2.449 1.00 0.00 H new ATOM 0 HG12 ILE A 82 1.578 -5.282 -3.875 1.00 0.00 H new ATOM 0 HG13 ILE A 82 1.821 -6.124 -2.357 1.00 0.00 H new ATOM 0 HG21 ILE A 82 4.195 -3.452 -2.991 1.00 0.00 H new ATOM 0 HG22 ILE A 82 5.313 -4.341 -4.053 1.00 0.00 H new ATOM 0 HG23 ILE A 82 3.723 -3.827 -4.666 1.00 0.00 H new ATOM 0 HD11 ILE A 82 0.958 -3.836 -1.961 1.00 0.00 H new ATOM 0 HD12 ILE A 82 2.598 -4.008 -1.292 1.00 0.00 H new ATOM 0 HD13 ILE A 82 2.351 -3.153 -2.833 1.00 0.00 H new ATOM 1132 N LEU A 83 5.819 -7.086 -5.663 1.00 0.00 N ATOM 1133 CA LEU A 83 7.207 -7.652 -5.744 1.00 0.00 C ATOM 1134 C LEU A 83 8.222 -6.654 -5.163 1.00 0.00 C ATOM 1135 O LEU A 83 9.069 -7.016 -4.371 1.00 0.00 O ATOM 1136 CB LEU A 83 7.604 -7.980 -7.194 1.00 0.00 C ATOM 1137 CG LEU A 83 6.735 -7.215 -8.197 1.00 0.00 C ATOM 1138 CD1 LEU A 83 7.490 -7.084 -9.521 1.00 0.00 C ATOM 1139 CD2 LEU A 83 5.432 -7.982 -8.435 1.00 0.00 C ATOM 0 H LEU A 83 5.449 -6.700 -6.532 1.00 0.00 H new ATOM 0 HA LEU A 83 7.214 -8.575 -5.164 1.00 0.00 H new ATOM 0 HB2 LEU A 83 8.653 -7.728 -7.352 1.00 0.00 H new ATOM 0 HB3 LEU A 83 7.504 -9.052 -7.367 1.00 0.00 H new ATOM 0 HG LEU A 83 6.508 -6.225 -7.801 1.00 0.00 H new ATOM 0 HD11 LEU A 83 6.875 -6.540 -10.238 1.00 0.00 H new ATOM 0 HD12 LEU A 83 8.421 -6.542 -9.357 1.00 0.00 H new ATOM 0 HD13 LEU A 83 7.712 -8.077 -9.913 1.00 0.00 H new ATOM 0 HD21 LEU A 83 4.814 -7.437 -9.149 1.00 0.00 H new ATOM 0 HD22 LEU A 83 5.659 -8.971 -8.833 1.00 0.00 H new ATOM 0 HD23 LEU A 83 4.893 -8.085 -7.493 1.00 0.00 H new ATOM 1151 N GLN A 84 8.147 -5.405 -5.543 1.00 0.00 N ATOM 1152 CA GLN A 84 9.111 -4.401 -5.002 1.00 0.00 C ATOM 1153 C GLN A 84 8.345 -3.417 -4.119 1.00 0.00 C ATOM 1154 O GLN A 84 7.141 -3.505 -3.984 1.00 0.00 O ATOM 1155 CB GLN A 84 9.754 -3.639 -6.160 1.00 0.00 C ATOM 1156 CG GLN A 84 11.279 -3.640 -6.027 1.00 0.00 C ATOM 1157 CD GLN A 84 11.755 -2.264 -5.556 1.00 0.00 C ATOM 1158 OE1 GLN A 84 10.968 -1.350 -5.417 1.00 0.00 O ATOM 1159 NE2 GLN A 84 13.023 -2.076 -5.306 1.00 0.00 N ATOM 0 H GLN A 84 7.462 -5.037 -6.203 1.00 0.00 H new ATOM 0 HA GLN A 84 9.886 -4.903 -4.423 1.00 0.00 H new ATOM 0 HB2 GLN A 84 9.466 -4.096 -7.107 1.00 0.00 H new ATOM 0 HB3 GLN A 84 9.386 -2.613 -6.176 1.00 0.00 H new ATOM 0 HG2 GLN A 84 11.592 -4.406 -5.318 1.00 0.00 H new ATOM 0 HG3 GLN A 84 11.737 -3.886 -6.985 1.00 0.00 H new ATOM 0 HE21 GLN A 84 13.685 -2.843 -5.422 1.00 0.00 H new ATOM 0 HE22 GLN A 84 13.351 -1.162 -4.994 1.00 0.00 H new ATOM 1168 N LEU A 85 9.021 -2.480 -3.513 1.00 0.00 N ATOM 1169 CA LEU A 85 8.297 -1.512 -2.648 1.00 0.00 C ATOM 1170 C LEU A 85 9.125 -0.240 -2.464 1.00 0.00 C ATOM 1171 O LEU A 85 9.936 -0.150 -1.565 1.00 0.00 O ATOM 1172 CB LEU A 85 8.055 -2.152 -1.288 1.00 0.00 C ATOM 1173 CG LEU A 85 6.699 -1.715 -0.755 1.00 0.00 C ATOM 1174 CD1 LEU A 85 5.756 -2.915 -0.724 1.00 0.00 C ATOM 1175 CD2 LEU A 85 6.880 -1.159 0.657 1.00 0.00 C ATOM 0 H LEU A 85 10.030 -2.345 -3.579 1.00 0.00 H new ATOM 0 HA LEU A 85 7.349 -1.251 -3.119 1.00 0.00 H new ATOM 0 HB2 LEU A 85 8.091 -3.238 -1.374 1.00 0.00 H new ATOM 0 HB3 LEU A 85 8.842 -1.861 -0.592 1.00 0.00 H new ATOM 0 HG LEU A 85 6.274 -0.945 -1.399 1.00 0.00 H new ATOM 0 HD11 LEU A 85 4.784 -2.604 -0.342 1.00 0.00 H new ATOM 0 HD12 LEU A 85 5.640 -3.313 -1.732 1.00 0.00 H new ATOM 0 HD13 LEU A 85 6.170 -3.687 -0.075 1.00 0.00 H new ATOM 0 HD21 LEU A 85 5.914 -0.842 1.050 1.00 0.00 H new ATOM 0 HD22 LEU A 85 7.298 -1.932 1.302 1.00 0.00 H new ATOM 0 HD23 LEU A 85 7.557 -0.306 0.628 1.00 0.00 H new ATOM 1187 N GLY A 86 8.917 0.748 -3.295 1.00 0.00 N ATOM 1188 CA GLY A 86 9.690 2.016 -3.156 1.00 0.00 C ATOM 1189 C GLY A 86 11.183 1.728 -3.321 1.00 0.00 C ATOM 1190 O GLY A 86 11.778 2.039 -4.335 1.00 0.00 O ATOM 0 H GLY A 86 8.246 0.731 -4.063 1.00 0.00 H new ATOM 0 HA2 GLY A 86 9.363 2.737 -3.906 1.00 0.00 H new ATOM 0 HA3 GLY A 86 9.501 2.464 -2.180 1.00 0.00 H new ATOM 1194 N GLY A 87 11.792 1.133 -2.334 1.00 0.00 N ATOM 1195 CA GLY A 87 13.256 0.820 -2.441 1.00 0.00 C ATOM 1196 C GLY A 87 13.530 -0.552 -1.820 1.00 0.00 C ATOM 1197 O GLY A 87 14.421 -0.708 -1.009 1.00 0.00 O ATOM 0 H GLY A 87 11.348 0.849 -1.461 1.00 0.00 H new ATOM 0 HA2 GLY A 87 13.565 0.826 -3.486 1.00 0.00 H new ATOM 0 HA3 GLY A 87 13.841 1.585 -1.931 1.00 0.00 H new ATOM 1201 N THR A 88 12.786 -1.554 -2.210 1.00 0.00 N ATOM 1202 CA THR A 88 13.017 -2.910 -1.665 1.00 0.00 C ATOM 1203 C THR A 88 12.471 -3.901 -2.686 1.00 0.00 C ATOM 1204 O THR A 88 11.514 -3.624 -3.380 1.00 0.00 O ATOM 1205 CB THR A 88 12.288 -3.094 -0.306 1.00 0.00 C ATOM 1206 OG1 THR A 88 13.065 -3.948 0.520 1.00 0.00 O ATOM 1207 CG2 THR A 88 10.912 -3.748 -0.501 1.00 0.00 C ATOM 0 H THR A 88 12.026 -1.484 -2.887 1.00 0.00 H new ATOM 0 HA THR A 88 14.081 -3.070 -1.488 1.00 0.00 H new ATOM 0 HB THR A 88 12.157 -2.112 0.148 1.00 0.00 H new ATOM 0 HG1 THR A 88 12.554 -4.181 1.323 1.00 0.00 H new ATOM 0 HG21 THR A 88 10.424 -3.865 0.467 1.00 0.00 H new ATOM 0 HG22 THR A 88 10.297 -3.118 -1.144 1.00 0.00 H new ATOM 0 HG23 THR A 88 11.037 -4.727 -0.965 1.00 0.00 H new ATOM 1215 N ALA A 89 13.043 -5.051 -2.764 1.00 0.00 N ATOM 1216 CA ALA A 89 12.529 -6.057 -3.719 1.00 0.00 C ATOM 1217 C ALA A 89 12.202 -7.345 -2.984 1.00 0.00 C ATOM 1218 O ALA A 89 13.071 -8.081 -2.574 1.00 0.00 O ATOM 1219 CB ALA A 89 13.565 -6.323 -4.784 1.00 0.00 C ATOM 0 H ALA A 89 13.847 -5.344 -2.209 1.00 0.00 H new ATOM 0 HA ALA A 89 11.622 -5.676 -4.189 1.00 0.00 H new ATOM 0 HB1 ALA A 89 13.183 -7.064 -5.486 1.00 0.00 H new ATOM 0 HB2 ALA A 89 13.785 -5.398 -5.317 1.00 0.00 H new ATOM 0 HB3 ALA A 89 14.476 -6.699 -4.319 1.00 0.00 H new ATOM 1225 N MET A 90 10.945 -7.618 -2.818 1.00 0.00 N ATOM 1226 CA MET A 90 10.538 -8.857 -2.104 1.00 0.00 C ATOM 1227 C MET A 90 11.304 -10.053 -2.668 1.00 0.00 C ATOM 1228 O MET A 90 12.098 -10.669 -1.987 1.00 0.00 O ATOM 1229 CB MET A 90 9.036 -9.091 -2.299 1.00 0.00 C ATOM 1230 CG MET A 90 8.245 -7.935 -1.686 1.00 0.00 C ATOM 1231 SD MET A 90 8.702 -7.752 0.051 1.00 0.00 S ATOM 1232 CE MET A 90 9.473 -6.125 -0.091 1.00 0.00 C ATOM 0 H MET A 90 10.175 -7.035 -3.147 1.00 0.00 H new ATOM 0 HA MET A 90 10.761 -8.746 -1.043 1.00 0.00 H new ATOM 0 HB2 MET A 90 8.807 -9.176 -3.361 1.00 0.00 H new ATOM 0 HB3 MET A 90 8.742 -10.032 -1.833 1.00 0.00 H new ATOM 0 HG2 MET A 90 8.451 -7.011 -2.227 1.00 0.00 H new ATOM 0 HG3 MET A 90 7.175 -8.124 -1.774 1.00 0.00 H new ATOM 0 HE1 MET A 90 10.544 -6.243 -0.258 1.00 0.00 H new ATOM 0 HE2 MET A 90 9.032 -5.585 -0.929 1.00 0.00 H new ATOM 0 HE3 MET A 90 9.309 -5.563 0.829 1.00 0.00 H new ATOM 1242 N GLN A 91 11.040 -10.413 -3.891 1.00 0.00 N ATOM 1243 CA GLN A 91 11.731 -11.613 -4.473 1.00 0.00 C ATOM 1244 C GLN A 91 13.259 -11.614 -4.240 1.00 0.00 C ATOM 1245 O GLN A 91 13.853 -12.672 -4.160 1.00 0.00 O ATOM 1246 CB GLN A 91 11.412 -11.736 -5.976 1.00 0.00 C ATOM 1247 CG GLN A 91 9.952 -12.176 -6.169 1.00 0.00 C ATOM 1248 CD GLN A 91 9.020 -10.976 -5.992 1.00 0.00 C ATOM 1249 OE1 GLN A 91 9.389 -9.856 -6.287 1.00 0.00 O ATOM 1250 NE2 GLN A 91 7.820 -11.166 -5.518 1.00 0.00 N ATOM 0 H GLN A 91 10.385 -9.940 -4.513 1.00 0.00 H new ATOM 0 HA GLN A 91 11.342 -12.483 -3.944 1.00 0.00 H new ATOM 0 HB2 GLN A 91 11.581 -10.780 -6.471 1.00 0.00 H new ATOM 0 HB3 GLN A 91 12.083 -12.459 -6.441 1.00 0.00 H new ATOM 0 HG2 GLN A 91 9.821 -12.606 -7.162 1.00 0.00 H new ATOM 0 HG3 GLN A 91 9.699 -12.954 -5.448 1.00 0.00 H new ATOM 0 HE21 GLN A 91 7.512 -12.107 -5.271 1.00 0.00 H new ATOM 0 HE22 GLN A 91 7.189 -10.374 -5.394 1.00 0.00 H new ATOM 1259 N GLY A 92 13.915 -10.492 -4.102 1.00 0.00 N ATOM 1260 CA GLY A 92 15.376 -10.540 -3.847 1.00 0.00 C ATOM 1261 C GLY A 92 15.602 -10.106 -2.406 1.00 0.00 C ATOM 1262 O GLY A 92 16.464 -9.300 -2.115 1.00 0.00 O ATOM 0 H GLY A 92 13.506 -9.559 -4.155 1.00 0.00 H new ATOM 0 HA2 GLY A 92 15.761 -11.547 -4.009 1.00 0.00 H new ATOM 0 HA3 GLY A 92 15.907 -9.881 -4.534 1.00 0.00 H new ATOM 1266 N LEU A 93 14.816 -10.621 -1.495 1.00 0.00 N ATOM 1267 CA LEU A 93 14.967 -10.221 -0.083 1.00 0.00 C ATOM 1268 C LEU A 93 14.101 -11.129 0.784 1.00 0.00 C ATOM 1269 O LEU A 93 13.281 -11.883 0.299 1.00 0.00 O ATOM 1270 CB LEU A 93 14.508 -8.767 0.078 1.00 0.00 C ATOM 1271 CG LEU A 93 15.702 -7.891 0.462 1.00 0.00 C ATOM 1272 CD1 LEU A 93 15.479 -6.469 -0.055 1.00 0.00 C ATOM 1273 CD2 LEU A 93 15.848 -7.860 1.986 1.00 0.00 C ATOM 0 H LEU A 93 14.078 -11.301 -1.678 1.00 0.00 H new ATOM 0 HA LEU A 93 16.010 -10.309 0.222 1.00 0.00 H new ATOM 0 HB2 LEU A 93 14.066 -8.410 -0.852 1.00 0.00 H new ATOM 0 HB3 LEU A 93 13.735 -8.702 0.844 1.00 0.00 H new ATOM 0 HG LEU A 93 16.609 -8.303 0.019 1.00 0.00 H new ATOM 0 HD11 LEU A 93 16.330 -5.845 0.219 1.00 0.00 H new ATOM 0 HD12 LEU A 93 15.377 -6.488 -1.140 1.00 0.00 H new ATOM 0 HD13 LEU A 93 14.571 -6.059 0.388 1.00 0.00 H new ATOM 0 HD21 LEU A 93 16.699 -7.235 2.257 1.00 0.00 H new ATOM 0 HD22 LEU A 93 14.941 -7.450 2.430 1.00 0.00 H new ATOM 0 HD23 LEU A 93 16.008 -8.872 2.357 1.00 0.00 H new ATOM 1285 N THR A 94 14.279 -11.048 2.061 1.00 0.00 N ATOM 1286 CA THR A 94 13.473 -11.887 2.990 1.00 0.00 C ATOM 1287 C THR A 94 12.215 -11.114 3.382 1.00 0.00 C ATOM 1288 O THR A 94 12.147 -9.910 3.237 1.00 0.00 O ATOM 1289 CB THR A 94 14.295 -12.201 4.243 1.00 0.00 C ATOM 1290 OG1 THR A 94 15.551 -11.542 4.160 1.00 0.00 O ATOM 1291 CG2 THR A 94 14.516 -13.712 4.345 1.00 0.00 C ATOM 0 H THR A 94 14.954 -10.432 2.513 1.00 0.00 H new ATOM 0 HA THR A 94 13.197 -12.822 2.502 1.00 0.00 H new ATOM 0 HB THR A 94 13.759 -11.854 5.126 1.00 0.00 H new ATOM 0 HG1 THR A 94 16.254 -12.134 4.500 1.00 0.00 H new ATOM 0 HG21 THR A 94 15.101 -13.935 5.237 1.00 0.00 H new ATOM 0 HG22 THR A 94 13.552 -14.217 4.408 1.00 0.00 H new ATOM 0 HG23 THR A 94 15.052 -14.062 3.463 1.00 0.00 H new ATOM 1299 N ARG A 95 11.213 -11.791 3.865 1.00 0.00 N ATOM 1300 CA ARG A 95 9.960 -11.067 4.247 1.00 0.00 C ATOM 1301 C ARG A 95 10.295 -9.902 5.184 1.00 0.00 C ATOM 1302 O ARG A 95 10.169 -8.749 4.822 1.00 0.00 O ATOM 1303 CB ARG A 95 8.962 -12.011 4.945 1.00 0.00 C ATOM 1304 CG ARG A 95 7.905 -11.184 5.676 1.00 0.00 C ATOM 1305 CD ARG A 95 6.558 -11.870 5.521 1.00 0.00 C ATOM 1306 NE ARG A 95 5.844 -11.898 6.833 1.00 0.00 N ATOM 1307 CZ ARG A 95 6.006 -10.928 7.693 1.00 0.00 C ATOM 1308 NH1 ARG A 95 6.107 -9.697 7.274 1.00 0.00 N ATOM 1309 NH2 ARG A 95 6.074 -11.192 8.971 1.00 0.00 N ATOM 0 H ARG A 95 11.201 -12.800 4.012 1.00 0.00 H new ATOM 0 HA ARG A 95 9.500 -10.688 3.334 1.00 0.00 H new ATOM 0 HB2 ARG A 95 8.487 -12.662 4.211 1.00 0.00 H new ATOM 0 HB3 ARG A 95 9.487 -12.655 5.650 1.00 0.00 H new ATOM 0 HG2 ARG A 95 8.162 -11.090 6.731 1.00 0.00 H new ATOM 0 HG3 ARG A 95 7.865 -10.175 5.266 1.00 0.00 H new ATOM 0 HD2 ARG A 95 5.955 -11.343 4.781 1.00 0.00 H new ATOM 0 HD3 ARG A 95 6.699 -12.886 5.153 1.00 0.00 H new ATOM 0 HE ARG A 95 5.227 -12.678 7.058 1.00 0.00 H new ATOM 0 HH11 ARG A 95 6.059 -9.492 6.276 1.00 0.00 H new ATOM 0 HH12 ARG A 95 6.233 -8.939 7.944 1.00 0.00 H new ATOM 0 HH21 ARG A 95 6.001 -12.156 9.297 1.00 0.00 H new ATOM 0 HH22 ARG A 95 6.201 -10.434 9.642 1.00 0.00 H new ATOM 1323 N PHE A 96 10.702 -10.189 6.390 1.00 0.00 N ATOM 1324 CA PHE A 96 11.020 -9.092 7.345 1.00 0.00 C ATOM 1325 C PHE A 96 12.049 -8.150 6.726 1.00 0.00 C ATOM 1326 O PHE A 96 11.865 -6.950 6.698 1.00 0.00 O ATOM 1327 CB PHE A 96 11.578 -9.688 8.641 1.00 0.00 C ATOM 1328 CG PHE A 96 10.969 -8.983 9.831 1.00 0.00 C ATOM 1329 CD1 PHE A 96 9.598 -9.097 10.089 1.00 0.00 C ATOM 1330 CD2 PHE A 96 11.779 -8.216 10.677 1.00 0.00 C ATOM 1331 CE1 PHE A 96 9.037 -8.443 11.194 1.00 0.00 C ATOM 1332 CE2 PHE A 96 11.219 -7.563 11.781 1.00 0.00 C ATOM 1333 CZ PHE A 96 9.848 -7.676 12.039 1.00 0.00 C ATOM 0 H PHE A 96 10.828 -11.133 6.754 1.00 0.00 H new ATOM 0 HA PHE A 96 10.112 -8.532 7.566 1.00 0.00 H new ATOM 0 HB2 PHE A 96 11.358 -10.755 8.686 1.00 0.00 H new ATOM 0 HB3 PHE A 96 12.663 -9.586 8.662 1.00 0.00 H new ATOM 0 HD1 PHE A 96 8.973 -9.689 9.437 1.00 0.00 H new ATOM 0 HD2 PHE A 96 12.837 -8.128 10.478 1.00 0.00 H new ATOM 0 HE1 PHE A 96 7.979 -8.531 11.394 1.00 0.00 H new ATOM 0 HE2 PHE A 96 11.845 -6.972 12.434 1.00 0.00 H new ATOM 0 HZ PHE A 96 9.416 -7.171 12.890 1.00 0.00 H new ATOM 1343 N GLU A 97 13.129 -8.677 6.225 1.00 0.00 N ATOM 1344 CA GLU A 97 14.150 -7.793 5.610 1.00 0.00 C ATOM 1345 C GLU A 97 13.468 -6.878 4.594 1.00 0.00 C ATOM 1346 O GLU A 97 13.708 -5.691 4.558 1.00 0.00 O ATOM 1347 CB GLU A 97 15.218 -8.636 4.914 1.00 0.00 C ATOM 1348 CG GLU A 97 15.781 -9.662 5.901 1.00 0.00 C ATOM 1349 CD GLU A 97 16.185 -8.955 7.196 1.00 0.00 C ATOM 1350 OE1 GLU A 97 17.303 -8.470 7.258 1.00 0.00 O ATOM 1351 OE2 GLU A 97 15.370 -8.910 8.103 1.00 0.00 O ATOM 0 H GLU A 97 13.347 -9.673 6.215 1.00 0.00 H new ATOM 0 HA GLU A 97 14.627 -7.192 6.384 1.00 0.00 H new ATOM 0 HB2 GLU A 97 14.790 -9.144 4.050 1.00 0.00 H new ATOM 0 HB3 GLU A 97 16.018 -7.995 4.543 1.00 0.00 H new ATOM 0 HG2 GLU A 97 15.035 -10.429 6.110 1.00 0.00 H new ATOM 0 HG3 GLU A 97 16.643 -10.167 5.465 1.00 0.00 H new ATOM 1358 N ALA A 98 12.615 -7.424 3.772 1.00 0.00 N ATOM 1359 CA ALA A 98 11.919 -6.589 2.755 1.00 0.00 C ATOM 1360 C ALA A 98 11.212 -5.407 3.419 1.00 0.00 C ATOM 1361 O ALA A 98 11.570 -4.264 3.221 1.00 0.00 O ATOM 1362 CB ALA A 98 10.892 -7.446 2.016 1.00 0.00 C ATOM 0 H ALA A 98 12.370 -8.414 3.761 1.00 0.00 H new ATOM 0 HA ALA A 98 12.658 -6.203 2.053 1.00 0.00 H new ATOM 0 HB1 ALA A 98 10.380 -6.838 1.270 1.00 0.00 H new ATOM 0 HB2 ALA A 98 11.398 -8.276 1.523 1.00 0.00 H new ATOM 0 HB3 ALA A 98 10.164 -7.836 2.728 1.00 0.00 H new ATOM 1368 N TRP A 99 10.198 -5.673 4.185 1.00 0.00 N ATOM 1369 CA TRP A 99 9.445 -4.555 4.845 1.00 0.00 C ATOM 1370 C TRP A 99 10.402 -3.650 5.642 1.00 0.00 C ATOM 1371 O TRP A 99 10.051 -2.545 6.003 1.00 0.00 O ATOM 1372 CB TRP A 99 8.385 -5.158 5.779 1.00 0.00 C ATOM 1373 CG TRP A 99 7.575 -4.083 6.431 1.00 0.00 C ATOM 1374 CD1 TRP A 99 7.209 -4.078 7.735 1.00 0.00 C ATOM 1375 CD2 TRP A 99 7.009 -2.877 5.843 1.00 0.00 C ATOM 1376 NE1 TRP A 99 6.453 -2.949 7.982 1.00 0.00 N ATOM 1377 CE2 TRP A 99 6.302 -2.177 6.849 1.00 0.00 C ATOM 1378 CE3 TRP A 99 7.038 -2.325 4.549 1.00 0.00 C ATOM 1379 CZ2 TRP A 99 5.647 -0.978 6.582 1.00 0.00 C ATOM 1380 CZ3 TRP A 99 6.381 -1.117 4.279 1.00 0.00 C ATOM 1381 CH2 TRP A 99 5.687 -0.444 5.293 1.00 0.00 C ATOM 0 H TRP A 99 9.851 -6.610 4.388 1.00 0.00 H new ATOM 0 HA TRP A 99 8.963 -3.944 4.082 1.00 0.00 H new ATOM 0 HB2 TRP A 99 7.730 -5.820 5.213 1.00 0.00 H new ATOM 0 HB3 TRP A 99 8.871 -5.766 6.542 1.00 0.00 H new ATOM 0 HD1 TRP A 99 7.466 -4.833 8.463 1.00 0.00 H new ATOM 0 HE1 TRP A 99 6.055 -2.715 8.891 1.00 0.00 H new ATOM 0 HE3 TRP A 99 7.570 -2.835 3.759 1.00 0.00 H new ATOM 0 HZ2 TRP A 99 5.112 -0.464 7.367 1.00 0.00 H new ATOM 0 HZ3 TRP A 99 6.410 -0.702 3.282 1.00 0.00 H new ATOM 0 HH2 TRP A 99 5.184 0.487 5.078 1.00 0.00 H new ATOM 1392 N ASN A 100 11.599 -4.096 5.925 1.00 0.00 N ATOM 1393 CA ASN A 100 12.543 -3.236 6.703 1.00 0.00 C ATOM 1394 C ASN A 100 13.244 -2.213 5.783 1.00 0.00 C ATOM 1395 O ASN A 100 13.295 -1.040 6.095 1.00 0.00 O ATOM 1396 CB ASN A 100 13.590 -4.115 7.399 1.00 0.00 C ATOM 1397 CG ASN A 100 12.975 -4.750 8.648 1.00 0.00 C ATOM 1398 OD1 ASN A 100 12.164 -4.140 9.317 1.00 0.00 O ATOM 1399 ND2 ASN A 100 13.330 -5.957 8.993 1.00 0.00 N ATOM 0 H ASN A 100 11.962 -5.010 5.654 1.00 0.00 H new ATOM 0 HA ASN A 100 11.972 -2.687 7.452 1.00 0.00 H new ATOM 0 HB2 ASN A 100 13.939 -4.891 6.718 1.00 0.00 H new ATOM 0 HB3 ASN A 100 14.459 -3.516 7.673 1.00 0.00 H new ATOM 0 HD21 ASN A 100 12.927 -6.389 9.824 1.00 0.00 H new ATOM 0 HD22 ASN A 100 14.011 -6.469 8.431 1.00 0.00 H new ATOM 1406 N ILE A 101 13.790 -2.629 4.663 1.00 0.00 N ATOM 1407 CA ILE A 101 14.479 -1.654 3.765 1.00 0.00 C ATOM 1408 C ILE A 101 13.548 -0.492 3.448 1.00 0.00 C ATOM 1409 O ILE A 101 13.961 0.649 3.370 1.00 0.00 O ATOM 1410 CB ILE A 101 14.846 -2.345 2.456 1.00 0.00 C ATOM 1411 CG1 ILE A 101 15.954 -3.354 2.707 1.00 0.00 C ATOM 1412 CG2 ILE A 101 15.298 -1.311 1.427 1.00 0.00 C ATOM 1413 CD1 ILE A 101 15.306 -4.725 2.845 1.00 0.00 C ATOM 0 H ILE A 101 13.787 -3.595 4.336 1.00 0.00 H new ATOM 0 HA ILE A 101 15.374 -1.286 4.266 1.00 0.00 H new ATOM 0 HB ILE A 101 13.971 -2.865 2.066 1.00 0.00 H new ATOM 0 HG12 ILE A 101 16.669 -3.350 1.885 1.00 0.00 H new ATOM 0 HG13 ILE A 101 16.507 -3.099 3.611 1.00 0.00 H new ATOM 0 HG21 ILE A 101 15.558 -1.814 0.496 1.00 0.00 H new ATOM 0 HG22 ILE A 101 14.490 -0.603 1.244 1.00 0.00 H new ATOM 0 HG23 ILE A 101 16.169 -0.777 1.806 1.00 0.00 H new ATOM 0 HD11 ILE A 101 16.076 -5.475 3.026 1.00 0.00 H new ATOM 0 HD12 ILE A 101 14.606 -4.714 3.680 1.00 0.00 H new ATOM 0 HD13 ILE A 101 14.771 -4.969 1.927 1.00 0.00 H new ATOM 1425 N ILE A 102 12.296 -0.774 3.248 1.00 0.00 N ATOM 1426 CA ILE A 102 11.339 0.312 2.917 1.00 0.00 C ATOM 1427 C ILE A 102 11.262 1.299 4.079 1.00 0.00 C ATOM 1428 O ILE A 102 11.629 2.452 3.962 1.00 0.00 O ATOM 1429 CB ILE A 102 9.978 -0.313 2.688 1.00 0.00 C ATOM 1430 CG1 ILE A 102 9.963 -1.022 1.356 1.00 0.00 C ATOM 1431 CG2 ILE A 102 8.875 0.745 2.725 1.00 0.00 C ATOM 1432 CD1 ILE A 102 9.714 -2.488 1.658 1.00 0.00 C ATOM 0 H ILE A 102 11.893 -1.710 3.299 1.00 0.00 H new ATOM 0 HA ILE A 102 11.665 0.845 2.024 1.00 0.00 H new ATOM 0 HB ILE A 102 9.789 -1.030 3.487 1.00 0.00 H new ATOM 0 HG12 ILE A 102 9.183 -0.620 0.710 1.00 0.00 H new ATOM 0 HG13 ILE A 102 10.910 -0.888 0.833 1.00 0.00 H new ATOM 0 HG21 ILE A 102 7.909 0.269 2.558 1.00 0.00 H new ATOM 0 HG22 ILE A 102 8.874 1.236 3.698 1.00 0.00 H new ATOM 0 HG23 ILE A 102 9.055 1.485 1.945 1.00 0.00 H new ATOM 0 HD11 ILE A 102 9.693 -3.053 0.726 1.00 0.00 H new ATOM 0 HD12 ILE A 102 10.512 -2.869 2.295 1.00 0.00 H new ATOM 0 HD13 ILE A 102 8.758 -2.597 2.170 1.00 0.00 H new ATOM 1444 N LYS A 103 10.779 0.849 5.200 1.00 0.00 N ATOM 1445 CA LYS A 103 10.665 1.755 6.383 1.00 0.00 C ATOM 1446 C LYS A 103 11.938 2.587 6.522 1.00 0.00 C ATOM 1447 O LYS A 103 11.921 3.699 7.012 1.00 0.00 O ATOM 1448 CB LYS A 103 10.475 0.920 7.652 1.00 0.00 C ATOM 1449 CG LYS A 103 9.175 0.124 7.553 1.00 0.00 C ATOM 1450 CD LYS A 103 8.061 0.870 8.290 1.00 0.00 C ATOM 1451 CE LYS A 103 7.745 0.152 9.603 1.00 0.00 C ATOM 1452 NZ LYS A 103 6.716 0.923 10.358 1.00 0.00 N ATOM 0 H LYS A 103 10.457 -0.107 5.353 1.00 0.00 H new ATOM 0 HA LYS A 103 9.809 2.416 6.243 1.00 0.00 H new ATOM 0 HB2 LYS A 103 11.319 0.243 7.783 1.00 0.00 H new ATOM 0 HB3 LYS A 103 10.449 1.570 8.527 1.00 0.00 H new ATOM 0 HG2 LYS A 103 8.902 -0.018 6.507 1.00 0.00 H new ATOM 0 HG3 LYS A 103 9.310 -0.868 7.984 1.00 0.00 H new ATOM 0 HD2 LYS A 103 8.367 1.897 8.490 1.00 0.00 H new ATOM 0 HD3 LYS A 103 7.168 0.919 7.667 1.00 0.00 H new ATOM 0 HE2 LYS A 103 7.383 -0.856 9.400 1.00 0.00 H new ATOM 0 HE3 LYS A 103 8.650 0.051 10.201 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 6.502 0.434 11.251 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 7.078 1.876 10.563 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 5.850 0.997 9.787 1.00 0.00 H new ATOM 1466 N ALA A 104 13.043 2.045 6.111 1.00 0.00 N ATOM 1467 CA ALA A 104 14.335 2.783 6.232 1.00 0.00 C ATOM 1468 C ALA A 104 14.450 3.869 5.154 1.00 0.00 C ATOM 1469 O ALA A 104 15.293 4.740 5.234 1.00 0.00 O ATOM 1470 CB ALA A 104 15.493 1.796 6.080 1.00 0.00 C ATOM 0 H ALA A 104 13.113 1.117 5.693 1.00 0.00 H new ATOM 0 HA ALA A 104 14.372 3.262 7.210 1.00 0.00 H new ATOM 0 HB1 ALA A 104 16.440 2.329 6.167 1.00 0.00 H new ATOM 0 HB2 ALA A 104 15.430 1.038 6.861 1.00 0.00 H new ATOM 0 HB3 ALA A 104 15.436 1.316 5.103 1.00 0.00 H new ATOM 1476 N LEU A 105 13.629 3.825 4.142 1.00 0.00 N ATOM 1477 CA LEU A 105 13.721 4.855 3.066 1.00 0.00 C ATOM 1478 C LEU A 105 13.301 6.229 3.613 1.00 0.00 C ATOM 1479 O LEU A 105 12.870 6.335 4.744 1.00 0.00 O ATOM 1480 CB LEU A 105 12.775 4.433 1.937 1.00 0.00 C ATOM 1481 CG LEU A 105 13.533 3.643 0.859 1.00 0.00 C ATOM 1482 CD1 LEU A 105 14.063 4.606 -0.206 1.00 0.00 C ATOM 1483 CD2 LEU A 105 14.707 2.873 1.478 1.00 0.00 C ATOM 0 H LEU A 105 12.900 3.123 4.012 1.00 0.00 H new ATOM 0 HA LEU A 105 14.745 4.932 2.700 1.00 0.00 H new ATOM 0 HB2 LEU A 105 11.968 3.823 2.342 1.00 0.00 H new ATOM 0 HB3 LEU A 105 12.315 5.316 1.492 1.00 0.00 H new ATOM 0 HG LEU A 105 12.846 2.930 0.404 1.00 0.00 H new ATOM 0 HD11 LEU A 105 14.600 4.044 -0.970 1.00 0.00 H new ATOM 0 HD12 LEU A 105 13.228 5.136 -0.665 1.00 0.00 H new ATOM 0 HD13 LEU A 105 14.738 5.325 0.258 1.00 0.00 H new ATOM 0 HD21 LEU A 105 15.231 2.320 0.698 1.00 0.00 H new ATOM 0 HD22 LEU A 105 15.395 3.575 1.949 1.00 0.00 H new ATOM 0 HD23 LEU A 105 14.331 2.176 2.227 1.00 0.00 H new ATOM 1495 N PRO A 106 13.431 7.240 2.784 1.00 0.00 N ATOM 1496 CA PRO A 106 13.060 8.622 3.141 1.00 0.00 C ATOM 1497 C PRO A 106 11.557 8.852 2.951 1.00 0.00 C ATOM 1498 O PRO A 106 10.825 7.962 2.569 1.00 0.00 O ATOM 1499 CB PRO A 106 13.857 9.473 2.149 1.00 0.00 C ATOM 1500 CG PRO A 106 14.171 8.558 0.940 1.00 0.00 C ATOM 1501 CD PRO A 106 13.986 7.105 1.419 1.00 0.00 C ATOM 0 HA PRO A 106 13.274 8.859 4.183 1.00 0.00 H new ATOM 0 HB2 PRO A 106 13.283 10.345 1.837 1.00 0.00 H new ATOM 0 HB3 PRO A 106 14.775 9.843 2.605 1.00 0.00 H new ATOM 0 HG2 PRO A 106 13.504 8.778 0.106 1.00 0.00 H new ATOM 0 HG3 PRO A 106 15.189 8.721 0.586 1.00 0.00 H new ATOM 0 HD2 PRO A 106 13.309 6.554 0.767 1.00 0.00 H new ATOM 0 HD3 PRO A 106 14.932 6.564 1.426 1.00 0.00 H new ATOM 1509 N ASP A 107 11.096 10.046 3.217 1.00 0.00 N ATOM 1510 CA ASP A 107 9.645 10.343 3.051 1.00 0.00 C ATOM 1511 C ASP A 107 9.389 10.878 1.639 1.00 0.00 C ATOM 1512 O ASP A 107 9.384 12.070 1.405 1.00 0.00 O ATOM 1513 CB ASP A 107 9.224 11.395 4.081 1.00 0.00 C ATOM 1514 CG ASP A 107 9.190 10.761 5.472 1.00 0.00 C ATOM 1515 OD1 ASP A 107 9.870 9.767 5.664 1.00 0.00 O ATOM 1516 OD2 ASP A 107 8.485 11.280 6.321 1.00 0.00 O ATOM 0 H ASP A 107 11.664 10.829 3.542 1.00 0.00 H new ATOM 0 HA ASP A 107 9.066 9.432 3.201 1.00 0.00 H new ATOM 0 HB2 ASP A 107 9.922 12.232 4.068 1.00 0.00 H new ATOM 0 HB3 ASP A 107 8.242 11.795 3.828 1.00 0.00 H new ATOM 1521 N GLY A 108 9.175 10.000 0.697 1.00 0.00 N ATOM 1522 CA GLY A 108 8.916 10.449 -0.706 1.00 0.00 C ATOM 1523 C GLY A 108 7.924 9.492 -1.384 1.00 0.00 C ATOM 1524 O GLY A 108 7.116 8.869 -0.724 1.00 0.00 O ATOM 0 H GLY A 108 9.168 8.990 0.836 1.00 0.00 H new ATOM 0 HA2 GLY A 108 8.515 11.462 -0.705 1.00 0.00 H new ATOM 0 HA3 GLY A 108 9.850 10.477 -1.267 1.00 0.00 H new ATOM 1528 N PRO A 109 8.016 9.416 -2.689 1.00 0.00 N ATOM 1529 CA PRO A 109 7.139 8.555 -3.514 1.00 0.00 C ATOM 1530 C PRO A 109 7.597 7.092 -3.485 1.00 0.00 C ATOM 1531 O PRO A 109 8.498 6.704 -4.200 1.00 0.00 O ATOM 1532 CB PRO A 109 7.305 9.131 -4.923 1.00 0.00 C ATOM 1533 CG PRO A 109 8.659 9.878 -4.937 1.00 0.00 C ATOM 1534 CD PRO A 109 9.007 10.187 -3.470 1.00 0.00 C ATOM 0 HA PRO A 109 6.108 8.551 -3.159 1.00 0.00 H new ATOM 0 HB2 PRO A 109 7.292 8.337 -5.670 1.00 0.00 H new ATOM 0 HB3 PRO A 109 6.486 9.809 -5.164 1.00 0.00 H new ATOM 0 HG2 PRO A 109 9.434 9.266 -5.398 1.00 0.00 H new ATOM 0 HG3 PRO A 109 8.589 10.796 -5.520 1.00 0.00 H new ATOM 0 HD2 PRO A 109 10.026 9.883 -3.230 1.00 0.00 H new ATOM 0 HD3 PRO A 109 8.935 11.254 -3.260 1.00 0.00 H new ATOM 1542 N VAL A 110 6.960 6.267 -2.693 1.00 0.00 N ATOM 1543 CA VAL A 110 7.338 4.834 -2.668 1.00 0.00 C ATOM 1544 C VAL A 110 6.534 4.156 -3.756 1.00 0.00 C ATOM 1545 O VAL A 110 5.328 4.049 -3.678 1.00 0.00 O ATOM 1546 CB VAL A 110 7.009 4.222 -1.305 1.00 0.00 C ATOM 1547 CG1 VAL A 110 5.732 4.827 -0.748 1.00 0.00 C ATOM 1548 CG2 VAL A 110 6.814 2.705 -1.421 1.00 0.00 C ATOM 0 H VAL A 110 6.198 6.529 -2.067 1.00 0.00 H new ATOM 0 HA VAL A 110 8.408 4.707 -2.834 1.00 0.00 H new ATOM 0 HB VAL A 110 7.845 4.434 -0.639 1.00 0.00 H new ATOM 0 HG11 VAL A 110 5.511 4.381 0.222 1.00 0.00 H new ATOM 0 HG12 VAL A 110 5.860 5.903 -0.632 1.00 0.00 H new ATOM 0 HG13 VAL A 110 4.907 4.631 -1.433 1.00 0.00 H new ATOM 0 HG21 VAL A 110 6.581 2.292 -0.440 1.00 0.00 H new ATOM 0 HG22 VAL A 110 5.993 2.495 -2.107 1.00 0.00 H new ATOM 0 HG23 VAL A 110 7.729 2.248 -1.799 1.00 0.00 H new ATOM 1558 N THR A 111 7.187 3.735 -4.787 1.00 0.00 N ATOM 1559 CA THR A 111 6.452 3.106 -5.911 1.00 0.00 C ATOM 1560 C THR A 111 6.303 1.611 -5.668 1.00 0.00 C ATOM 1561 O THR A 111 7.253 0.910 -5.381 1.00 0.00 O ATOM 1562 CB THR A 111 7.209 3.336 -7.219 1.00 0.00 C ATOM 1563 OG1 THR A 111 7.577 4.705 -7.319 1.00 0.00 O ATOM 1564 CG2 THR A 111 6.316 2.956 -8.402 1.00 0.00 C ATOM 0 H THR A 111 8.198 3.797 -4.905 1.00 0.00 H new ATOM 0 HA THR A 111 5.462 3.558 -5.980 1.00 0.00 H new ATOM 0 HB THR A 111 8.107 2.718 -7.232 1.00 0.00 H new ATOM 0 HG1 THR A 111 8.064 4.853 -8.157 1.00 0.00 H new ATOM 0 HG21 THR A 111 6.857 3.121 -9.334 1.00 0.00 H new ATOM 0 HG22 THR A 111 6.037 1.905 -8.325 1.00 0.00 H new ATOM 0 HG23 THR A 111 5.416 3.571 -8.391 1.00 0.00 H new ATOM 1572 N ILE A 112 5.105 1.127 -5.784 1.00 0.00 N ATOM 1573 CA ILE A 112 4.842 -0.310 -5.572 1.00 0.00 C ATOM 1574 C ILE A 112 4.378 -0.933 -6.881 1.00 0.00 C ATOM 1575 O ILE A 112 3.816 -0.272 -7.732 1.00 0.00 O ATOM 1576 CB ILE A 112 3.737 -0.471 -4.529 1.00 0.00 C ATOM 1577 CG1 ILE A 112 2.814 0.749 -4.567 1.00 0.00 C ATOM 1578 CG2 ILE A 112 4.350 -0.618 -3.135 1.00 0.00 C ATOM 1579 CD1 ILE A 112 1.623 0.517 -3.644 1.00 0.00 C ATOM 0 H ILE A 112 4.282 1.681 -6.022 1.00 0.00 H new ATOM 0 HA ILE A 112 5.752 -0.801 -5.228 1.00 0.00 H new ATOM 0 HB ILE A 112 3.159 -1.367 -4.755 1.00 0.00 H new ATOM 0 HG12 ILE A 112 3.359 1.640 -4.257 1.00 0.00 H new ATOM 0 HG13 ILE A 112 2.469 0.925 -5.586 1.00 0.00 H new ATOM 0 HG21 ILE A 112 3.555 -0.732 -2.398 1.00 0.00 H new ATOM 0 HG22 ILE A 112 4.995 -1.496 -3.112 1.00 0.00 H new ATOM 0 HG23 ILE A 112 4.937 0.270 -2.900 1.00 0.00 H new ATOM 0 HD11 ILE A 112 0.966 1.387 -3.672 1.00 0.00 H new ATOM 0 HD12 ILE A 112 1.073 -0.364 -3.974 1.00 0.00 H new ATOM 0 HD13 ILE A 112 1.977 0.362 -2.625 1.00 0.00 H new ATOM 1591 N VAL A 113 4.583 -2.205 -7.041 1.00 0.00 N ATOM 1592 CA VAL A 113 4.126 -2.876 -8.283 1.00 0.00 C ATOM 1593 C VAL A 113 3.336 -4.106 -7.871 1.00 0.00 C ATOM 1594 O VAL A 113 3.885 -5.161 -7.620 1.00 0.00 O ATOM 1595 CB VAL A 113 5.312 -3.305 -9.139 1.00 0.00 C ATOM 1596 CG1 VAL A 113 4.970 -3.120 -10.618 1.00 0.00 C ATOM 1597 CG2 VAL A 113 6.543 -2.462 -8.792 1.00 0.00 C ATOM 0 H VAL A 113 5.048 -2.811 -6.365 1.00 0.00 H new ATOM 0 HA VAL A 113 3.517 -2.189 -8.871 1.00 0.00 H new ATOM 0 HB VAL A 113 5.530 -4.355 -8.942 1.00 0.00 H new ATOM 0 HG11 VAL A 113 5.819 -3.427 -11.229 1.00 0.00 H new ATOM 0 HG12 VAL A 113 4.102 -3.730 -10.870 1.00 0.00 H new ATOM 0 HG13 VAL A 113 4.745 -2.071 -10.811 1.00 0.00 H new ATOM 0 HG21 VAL A 113 7.385 -2.776 -9.409 1.00 0.00 H new ATOM 0 HG22 VAL A 113 6.328 -1.410 -8.980 1.00 0.00 H new ATOM 0 HG23 VAL A 113 6.793 -2.599 -7.740 1.00 0.00 H new ATOM 1607 N ILE A 114 2.056 -3.970 -7.775 1.00 0.00 N ATOM 1608 CA ILE A 114 1.222 -5.122 -7.350 1.00 0.00 C ATOM 1609 C ILE A 114 0.642 -5.827 -8.571 1.00 0.00 C ATOM 1610 O ILE A 114 0.081 -5.210 -9.455 1.00 0.00 O ATOM 1611 CB ILE A 114 0.084 -4.629 -6.452 1.00 0.00 C ATOM 1612 CG1 ILE A 114 -0.992 -3.951 -7.301 1.00 0.00 C ATOM 1613 CG2 ILE A 114 0.630 -3.626 -5.436 1.00 0.00 C ATOM 1614 CD1 ILE A 114 -1.946 -5.011 -7.856 1.00 0.00 C ATOM 0 H ILE A 114 1.544 -3.110 -7.972 1.00 0.00 H new ATOM 0 HA ILE A 114 1.844 -5.825 -6.796 1.00 0.00 H new ATOM 0 HB ILE A 114 -0.351 -5.481 -5.929 1.00 0.00 H new ATOM 0 HG12 ILE A 114 -1.544 -3.229 -6.699 1.00 0.00 H new ATOM 0 HG13 ILE A 114 -0.530 -3.398 -8.119 1.00 0.00 H new ATOM 0 HG21 ILE A 114 -0.181 -3.276 -4.798 1.00 0.00 H new ATOM 0 HG22 ILE A 114 1.392 -4.107 -4.823 1.00 0.00 H new ATOM 0 HG23 ILE A 114 1.069 -2.778 -5.962 1.00 0.00 H new ATOM 0 HD11 ILE A 114 -2.713 -4.529 -8.461 1.00 0.00 H new ATOM 0 HD12 ILE A 114 -1.388 -5.716 -8.472 1.00 0.00 H new ATOM 0 HD13 ILE A 114 -2.417 -5.544 -7.030 1.00 0.00 H new ATOM 1626 N ARG A 115 0.750 -7.121 -8.611 1.00 0.00 N ATOM 1627 CA ARG A 115 0.183 -7.880 -9.754 1.00 0.00 C ATOM 1628 C ARG A 115 -0.556 -9.092 -9.196 1.00 0.00 C ATOM 1629 O ARG A 115 0.046 -10.014 -8.682 1.00 0.00 O ATOM 1630 CB ARG A 115 1.294 -8.356 -10.692 1.00 0.00 C ATOM 1631 CG ARG A 115 0.679 -9.245 -11.774 1.00 0.00 C ATOM 1632 CD ARG A 115 1.781 -10.017 -12.493 1.00 0.00 C ATOM 1633 NE ARG A 115 1.842 -9.586 -13.919 1.00 0.00 N ATOM 1634 CZ ARG A 115 2.616 -10.218 -14.758 1.00 0.00 C ATOM 1635 NH1 ARG A 115 2.852 -11.491 -14.595 1.00 0.00 N ATOM 1636 NH2 ARG A 115 3.150 -9.578 -15.763 1.00 0.00 N ATOM 0 H ARG A 115 1.209 -7.689 -7.898 1.00 0.00 H new ATOM 0 HA ARG A 115 -0.492 -7.237 -10.319 1.00 0.00 H new ATOM 0 HB2 ARG A 115 1.796 -7.502 -11.146 1.00 0.00 H new ATOM 0 HB3 ARG A 115 2.049 -8.909 -10.133 1.00 0.00 H new ATOM 0 HG2 ARG A 115 -0.032 -9.939 -11.327 1.00 0.00 H new ATOM 0 HG3 ARG A 115 0.124 -8.635 -12.487 1.00 0.00 H new ATOM 0 HD2 ARG A 115 2.740 -9.839 -12.007 1.00 0.00 H new ATOM 0 HD3 ARG A 115 1.587 -11.088 -12.434 1.00 0.00 H new ATOM 0 HE ARG A 115 1.279 -8.798 -14.238 1.00 0.00 H new ATOM 0 HH11 ARG A 115 2.431 -11.991 -13.812 1.00 0.00 H new ATOM 0 HH12 ARG A 115 3.457 -11.986 -15.251 1.00 0.00 H new ATOM 0 HH21 ARG A 115 2.962 -8.584 -15.892 1.00 0.00 H new ATOM 0 HH22 ARG A 115 3.755 -10.072 -16.419 1.00 0.00 H new ATOM 1650 N ARG A 116 -1.850 -9.094 -9.276 1.00 0.00 N ATOM 1651 CA ARG A 116 -2.620 -10.243 -8.730 1.00 0.00 C ATOM 1652 C ARG A 116 -2.836 -11.282 -9.834 1.00 0.00 C ATOM 1653 O ARG A 116 -3.942 -11.491 -10.293 1.00 0.00 O ATOM 1654 CB ARG A 116 -3.975 -9.744 -8.220 1.00 0.00 C ATOM 1655 CG ARG A 116 -4.857 -10.936 -7.837 1.00 0.00 C ATOM 1656 CD ARG A 116 -5.881 -10.496 -6.786 1.00 0.00 C ATOM 1657 NE ARG A 116 -5.449 -10.968 -5.441 1.00 0.00 N ATOM 1658 CZ ARG A 116 -6.119 -10.616 -4.377 1.00 0.00 C ATOM 1659 NH1 ARG A 116 -7.114 -11.349 -3.959 1.00 0.00 N ATOM 1660 NH2 ARG A 116 -5.794 -9.530 -3.730 1.00 0.00 N ATOM 0 H ARG A 116 -2.411 -8.352 -9.695 1.00 0.00 H new ATOM 0 HA ARG A 116 -2.068 -10.700 -7.909 1.00 0.00 H new ATOM 0 HB2 ARG A 116 -3.832 -9.094 -7.357 1.00 0.00 H new ATOM 0 HB3 ARG A 116 -4.467 -9.149 -8.989 1.00 0.00 H new ATOM 0 HG2 ARG A 116 -5.368 -11.322 -8.719 1.00 0.00 H new ATOM 0 HG3 ARG A 116 -4.242 -11.746 -7.445 1.00 0.00 H new ATOM 0 HD2 ARG A 116 -5.976 -9.410 -6.788 1.00 0.00 H new ATOM 0 HD3 ARG A 116 -6.863 -10.903 -7.027 1.00 0.00 H new ATOM 0 HE ARG A 116 -4.628 -11.567 -5.351 1.00 0.00 H new ATOM 0 HH11 ARG A 116 -7.369 -12.198 -4.463 1.00 0.00 H new ATOM 0 HH12 ARG A 116 -7.637 -11.073 -3.128 1.00 0.00 H new ATOM 0 HH21 ARG A 116 -5.016 -8.956 -4.056 1.00 0.00 H new ATOM 0 HH22 ARG A 116 -6.318 -9.255 -2.899 1.00 0.00 H new