USER MOD reduce.3.24.130724 H: found=0, std=0, add=947, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 945 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 123 LYS NZ :NH3+ 156:sc= 0 (180deg=0) USER MOD Set 1.2: A 127 GLN : amide:sc= -0.0415 X(o=-0.041,f=0.25) USER MOD Set 2.1: A 61 SER OG : rot -90:sc= -1.04 USER MOD Set 2.2: A 68 GLN : amide:sc= -1.84! C(o=-2.9!,f=-3.4!) USER MOD Set 2.3: A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 28 ASN : amide:sc= -2.81 K(o=-2.8,f=-0.27) USER MOD Single : A 31 GLN : amide:sc= -6.37! C(o=-6.4!,f=-4.8!) USER MOD Single : A 32 MET CE :methyl -176:sc=-0.00164 (180deg=-0.0216) USER MOD Single : A 33 GLN : amide:sc= 0 X(o=0,f=-0.049) USER MOD Single : A 34 CYS SG : rot -2:sc= -8.36! USER MOD Single : A 35 LYS NZ :NH3+ -172:sc= -0.0115 (180deg=-0.119) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 44 GLN : amide:sc= -3.69! K(o=-3.7!,f=-0.79) USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 57 ASN : amide:sc= -2.07! C(o=-2.1!,f=-3.8!) USER MOD Single : A 59 MET CE :methyl -179:sc= -2.72 (180deg=-2.86) USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0.0104 USER MOD Single : A 69 SER OG : rot 120:sc= -0.792 USER MOD Single : A 73 MET CE :methyl -177:sc= -4! (180deg=-4.14!) USER MOD Single : A 75 THR OG1 : rot -86:sc= 1.39 USER MOD Single : A 76 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 84 ASN : amide:sc= -7.67! C(o=-7.7!,f=-14!) USER MOD Single : A 85 THR OG1 : rot 180:sc= 0 USER MOD Single : A 90 GLN : amide:sc=-0.00562 X(o=-0.0056,f=-0.0056) USER MOD Single : A 91 MET CE :methyl 160:sc= -7.14! (180deg=-8.48!) USER MOD Single : A 92 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 95 LYS NZ :NH3+ -157:sc= -0.0591 (180deg=-0.381) USER MOD Single : A 97 SER OG : rot 180:sc= 0 USER MOD Single : A 99 LYS NZ :NH3+ -146:sc= -0.423 (180deg=-1.4!) USER MOD Single : A 100 SER OG : rot 180:sc= -0.631 USER MOD Single : A 102 HIS : no HD1:sc= -4.6 X(o=-4.6,f=-4.1!) USER MOD Single : A 104 THR OG1 : rot 35:sc= 0.111 USER MOD Single : A 106 MET CE :methyl 180:sc= -0.132 (180deg=-0.132) USER MOD Single : A 108 THR OG1 : rot 180:sc= 0 USER MOD Single : A 111 GLN : amide:sc= -0.233 X(o=-0.23,f=-0.017) USER MOD Single : A 114 LYS NZ :NH3+ -126:sc= -1.38! (180deg=-3.77!) USER MOD Single : A 119 SER OG : rot 34:sc= 0.0065 USER MOD Single : A 121 SER OG : rot 180:sc= 0 USER MOD Single : A 122 SER OG : rot 180:sc= -0.112 USER MOD Single : A 125 THR OG1 : rot 95:sc= 0.475 USER MOD Single : A 129 TYR OH : rot 180:sc= 0 USER MOD Single : A 133 HIS : no HD1:sc= -0.0522 X(o=-0.052,f=-0.51) USER MOD Single : A 134 HIS : no HD1:sc= -1.13! K(o=-1.1!,f=-0.4) USER MOD Single : A 141 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 364 N SER A 27 0.150 4.850 -11.290 1.00 0.00 N ATOM 365 CA SER A 27 0.656 6.211 -11.421 1.00 0.00 C ATOM 366 C SER A 27 1.796 6.463 -10.439 1.00 0.00 C ATOM 367 O SER A 27 1.919 5.777 -9.425 1.00 0.00 O ATOM 368 CB SER A 27 -0.468 7.221 -11.187 1.00 0.00 C ATOM 369 OG SER A 27 -0.171 8.465 -11.796 1.00 0.00 O ATOM 0 HA SER A 27 1.039 6.334 -12.434 1.00 0.00 H new ATOM 0 HB2 SER A 27 -1.402 6.830 -11.589 1.00 0.00 H new ATOM 0 HB3 SER A 27 -0.617 7.363 -10.117 1.00 0.00 H new ATOM 0 HG SER A 27 -0.906 9.093 -11.633 1.00 0.00 H new ATOM 375 N ASN A 28 2.626 7.455 -10.748 1.00 0.00 N ATOM 376 CA ASN A 28 3.756 7.800 -9.892 1.00 0.00 C ATOM 377 C ASN A 28 3.876 9.313 -9.733 1.00 0.00 C ATOM 378 O ASN A 28 4.273 10.016 -10.662 1.00 0.00 O ATOM 379 CB ASN A 28 5.053 7.232 -10.473 1.00 0.00 C ATOM 380 CG ASN A 28 6.283 7.752 -9.754 1.00 0.00 C ATOM 381 OD1 ASN A 28 7.282 8.102 -10.384 1.00 0.00 O ATOM 382 ND2 ASN A 28 6.217 7.802 -8.429 1.00 0.00 N ATOM 0 H ASN A 28 2.537 8.033 -11.584 1.00 0.00 H new ATOM 0 HA ASN A 28 3.583 7.362 -8.909 1.00 0.00 H new ATOM 0 HB2 ASN A 28 5.031 6.144 -10.410 1.00 0.00 H new ATOM 0 HB3 ASN A 28 5.118 7.488 -11.530 1.00 0.00 H new ATOM 0 HD21 ASN A 28 7.015 8.141 -7.891 1.00 0.00 H new ATOM 0 HD22 ASN A 28 5.369 7.502 -7.949 1.00 0.00 H new ATOM 389 N VAL A 29 3.531 9.806 -8.549 1.00 0.00 N ATOM 390 CA VAL A 29 3.601 11.235 -8.266 1.00 0.00 C ATOM 391 C VAL A 29 5.031 11.664 -7.954 1.00 0.00 C ATOM 392 O VAL A 29 5.442 12.778 -8.281 1.00 0.00 O ATOM 393 CB VAL A 29 2.692 11.619 -7.084 1.00 0.00 C ATOM 394 CG1 VAL A 29 3.032 10.787 -5.857 1.00 0.00 C ATOM 395 CG2 VAL A 29 2.812 13.105 -6.781 1.00 0.00 C ATOM 0 H VAL A 29 3.200 9.237 -7.770 1.00 0.00 H new ATOM 0 HA VAL A 29 3.257 11.752 -9.162 1.00 0.00 H new ATOM 0 HB VAL A 29 1.658 11.410 -7.360 1.00 0.00 H new ATOM 0 HG11 VAL A 29 2.380 11.072 -5.032 1.00 0.00 H new ATOM 0 HG12 VAL A 29 2.890 9.730 -6.083 1.00 0.00 H new ATOM 0 HG13 VAL A 29 4.070 10.961 -5.575 1.00 0.00 H new ATOM 0 HG21 VAL A 29 2.163 13.359 -5.943 1.00 0.00 H new ATOM 0 HG22 VAL A 29 3.845 13.342 -6.525 1.00 0.00 H new ATOM 0 HG23 VAL A 29 2.515 13.680 -7.658 1.00 0.00 H new ATOM 405 N LEU A 30 5.784 10.772 -7.320 1.00 0.00 N ATOM 406 CA LEU A 30 7.170 11.058 -6.963 1.00 0.00 C ATOM 407 C LEU A 30 7.898 9.783 -6.546 1.00 0.00 C ATOM 408 O LEU A 30 7.425 9.042 -5.686 1.00 0.00 O ATOM 409 CB LEU A 30 7.224 12.084 -5.831 1.00 0.00 C ATOM 410 CG LEU A 30 6.821 11.579 -4.446 1.00 0.00 C ATOM 411 CD1 LEU A 30 7.982 10.855 -3.782 1.00 0.00 C ATOM 412 CD2 LEU A 30 6.342 12.731 -3.576 1.00 0.00 C ATOM 0 H LEU A 30 5.459 9.846 -7.043 1.00 0.00 H new ATOM 0 HA LEU A 30 7.669 11.469 -7.841 1.00 0.00 H new ATOM 0 HB2 LEU A 30 8.239 12.476 -5.771 1.00 0.00 H new ATOM 0 HB3 LEU A 30 6.575 12.919 -6.094 1.00 0.00 H new ATOM 0 HG LEU A 30 5.999 10.873 -4.564 1.00 0.00 H new ATOM 0 HD11 LEU A 30 7.676 10.503 -2.797 1.00 0.00 H new ATOM 0 HD12 LEU A 30 8.279 10.004 -4.395 1.00 0.00 H new ATOM 0 HD13 LEU A 30 8.825 11.538 -3.677 1.00 0.00 H new ATOM 0 HD21 LEU A 30 6.059 12.352 -2.594 1.00 0.00 H new ATOM 0 HD22 LEU A 30 7.143 13.462 -3.466 1.00 0.00 H new ATOM 0 HD23 LEU A 30 5.480 13.206 -4.044 1.00 0.00 H new ATOM 424 N GLN A 31 9.051 9.539 -7.159 1.00 0.00 N ATOM 425 CA GLN A 31 9.844 8.356 -6.850 1.00 0.00 C ATOM 426 C GLN A 31 11.226 8.746 -6.338 1.00 0.00 C ATOM 427 O GLN A 31 11.843 9.685 -6.840 1.00 0.00 O ATOM 428 CB GLN A 31 9.979 7.467 -8.088 1.00 0.00 C ATOM 429 CG GLN A 31 10.862 6.250 -7.870 1.00 0.00 C ATOM 430 CD GLN A 31 11.131 5.486 -9.153 1.00 0.00 C ATOM 431 OE1 GLN A 31 12.129 5.727 -9.834 1.00 0.00 O ATOM 432 NE2 GLN A 31 10.241 4.561 -9.489 1.00 0.00 N ATOM 0 H GLN A 31 9.457 10.145 -7.872 1.00 0.00 H new ATOM 0 HA GLN A 31 9.329 7.800 -6.067 1.00 0.00 H new ATOM 0 HB2 GLN A 31 8.988 7.135 -8.397 1.00 0.00 H new ATOM 0 HB3 GLN A 31 10.387 8.059 -8.907 1.00 0.00 H new ATOM 0 HG2 GLN A 31 11.810 6.567 -7.435 1.00 0.00 H new ATOM 0 HG3 GLN A 31 10.386 5.585 -7.149 1.00 0.00 H new ATOM 0 HE21 GLN A 31 9.429 4.395 -8.895 1.00 0.00 H new ATOM 0 HE22 GLN A 31 10.369 4.016 -10.342 1.00 0.00 H new ATOM 441 N MET A 32 11.707 8.019 -5.335 1.00 0.00 N ATOM 442 CA MET A 32 13.018 8.289 -4.755 1.00 0.00 C ATOM 443 C MET A 32 13.509 7.096 -3.942 1.00 0.00 C ATOM 444 O MET A 32 12.730 6.441 -3.251 1.00 0.00 O ATOM 445 CB MET A 32 12.959 9.536 -3.869 1.00 0.00 C ATOM 446 CG MET A 32 11.966 9.422 -2.724 1.00 0.00 C ATOM 447 SD MET A 32 12.272 10.625 -1.417 1.00 0.00 S ATOM 448 CE MET A 32 12.095 9.597 0.039 1.00 0.00 C ATOM 0 H MET A 32 11.209 7.239 -4.907 1.00 0.00 H new ATOM 0 HA MET A 32 13.720 8.463 -5.570 1.00 0.00 H new ATOM 0 HB2 MET A 32 13.951 9.729 -3.461 1.00 0.00 H new ATOM 0 HB3 MET A 32 12.695 10.396 -4.484 1.00 0.00 H new ATOM 0 HG2 MET A 32 10.956 9.559 -3.109 1.00 0.00 H new ATOM 0 HG3 MET A 32 12.014 8.417 -2.306 1.00 0.00 H new ATOM 0 HE1 MET A 32 12.186 10.214 0.933 1.00 0.00 H new ATOM 0 HE2 MET A 32 11.117 9.116 0.028 1.00 0.00 H new ATOM 0 HE3 MET A 32 12.874 8.835 0.043 1.00 0.00 H new ATOM 458 N GLN A 33 14.806 6.820 -4.029 1.00 0.00 N ATOM 459 CA GLN A 33 15.401 5.704 -3.302 1.00 0.00 C ATOM 460 C GLN A 33 15.472 6.004 -1.809 1.00 0.00 C ATOM 461 O GLN A 33 15.929 7.073 -1.402 1.00 0.00 O ATOM 462 CB GLN A 33 16.800 5.403 -3.842 1.00 0.00 C ATOM 463 CG GLN A 33 16.809 4.965 -5.297 1.00 0.00 C ATOM 464 CD GLN A 33 17.966 4.040 -5.619 1.00 0.00 C ATOM 465 OE1 GLN A 33 19.096 4.263 -5.182 1.00 0.00 O ATOM 466 NE2 GLN A 33 17.691 2.994 -6.390 1.00 0.00 N ATOM 0 H GLN A 33 15.465 7.354 -4.596 1.00 0.00 H new ATOM 0 HA GLN A 33 14.768 4.829 -3.448 1.00 0.00 H new ATOM 0 HB2 GLN A 33 17.421 6.293 -3.735 1.00 0.00 H new ATOM 0 HB3 GLN A 33 17.255 4.622 -3.233 1.00 0.00 H new ATOM 0 HG2 GLN A 33 15.870 4.461 -5.527 1.00 0.00 H new ATOM 0 HG3 GLN A 33 16.863 5.845 -5.937 1.00 0.00 H new ATOM 0 HE21 GLN A 33 16.741 2.847 -6.730 1.00 0.00 H new ATOM 0 HE22 GLN A 33 18.430 2.338 -6.642 1.00 0.00 H new ATOM 475 N CYS A 34 15.017 5.056 -0.997 1.00 0.00 N ATOM 476 CA CYS A 34 15.029 5.219 0.452 1.00 0.00 C ATOM 477 C CYS A 34 15.169 3.870 1.151 1.00 0.00 C ATOM 478 O CYS A 34 15.242 2.827 0.501 1.00 0.00 O ATOM 479 CB CYS A 34 13.751 5.918 0.918 1.00 0.00 C ATOM 480 SG CYS A 34 13.956 6.915 2.412 1.00 0.00 S ATOM 0 H CYS A 34 14.635 4.166 -1.318 1.00 0.00 H new ATOM 0 HA CYS A 34 15.889 5.835 0.716 1.00 0.00 H new ATOM 0 HB2 CYS A 34 13.386 6.558 0.115 1.00 0.00 H new ATOM 0 HB3 CYS A 34 12.984 5.165 1.099 1.00 0.00 H new ATOM 0 HG CYS A 34 15.180 6.813 2.837 1.00 0.00 H new ATOM 486 N LYS A 35 15.207 3.899 2.479 1.00 0.00 N ATOM 487 CA LYS A 35 15.339 2.680 3.267 1.00 0.00 C ATOM 488 C LYS A 35 14.075 2.418 4.079 1.00 0.00 C ATOM 489 O LYS A 35 13.302 3.335 4.357 1.00 0.00 O ATOM 490 CB LYS A 35 16.546 2.780 4.201 1.00 0.00 C ATOM 491 CG LYS A 35 17.879 2.596 3.494 1.00 0.00 C ATOM 492 CD LYS A 35 19.040 2.649 4.472 1.00 0.00 C ATOM 493 CE LYS A 35 20.379 2.586 3.751 1.00 0.00 C ATOM 494 NZ LYS A 35 20.537 1.320 2.984 1.00 0.00 N ATOM 0 H LYS A 35 15.148 4.754 3.032 1.00 0.00 H new ATOM 0 HA LYS A 35 15.488 1.847 2.580 1.00 0.00 H new ATOM 0 HB2 LYS A 35 16.536 3.753 4.692 1.00 0.00 H new ATOM 0 HB3 LYS A 35 16.452 2.027 4.984 1.00 0.00 H new ATOM 0 HG2 LYS A 35 17.886 1.640 2.971 1.00 0.00 H new ATOM 0 HG3 LYS A 35 18.002 3.373 2.739 1.00 0.00 H new ATOM 0 HD2 LYS A 35 18.983 3.567 5.057 1.00 0.00 H new ATOM 0 HD3 LYS A 35 18.964 1.819 5.174 1.00 0.00 H new ATOM 0 HE2 LYS A 35 20.466 3.435 3.073 1.00 0.00 H new ATOM 0 HE3 LYS A 35 21.187 2.674 4.477 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 21.509 1.254 2.620 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 20.345 0.510 3.607 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 19.868 1.311 2.188 1.00 0.00 H new ATOM 508 N LEU A 36 13.870 1.162 4.460 1.00 0.00 N ATOM 509 CA LEU A 36 12.701 0.779 5.243 1.00 0.00 C ATOM 510 C LEU A 36 13.100 -0.097 6.426 1.00 0.00 C ATOM 511 O LEU A 36 13.795 -1.100 6.263 1.00 0.00 O ATOM 512 CB LEU A 36 11.693 0.038 4.362 1.00 0.00 C ATOM 513 CG LEU A 36 10.365 -0.328 5.025 1.00 0.00 C ATOM 514 CD1 LEU A 36 9.391 0.837 4.949 1.00 0.00 C ATOM 515 CD2 LEU A 36 9.768 -1.568 4.374 1.00 0.00 C ATOM 0 H LEU A 36 14.499 0.390 4.239 1.00 0.00 H new ATOM 0 HA LEU A 36 12.239 1.688 5.628 1.00 0.00 H new ATOM 0 HB2 LEU A 36 11.482 0.654 3.488 1.00 0.00 H new ATOM 0 HB3 LEU A 36 12.161 -0.878 4.001 1.00 0.00 H new ATOM 0 HG LEU A 36 10.554 -0.548 6.076 1.00 0.00 H new ATOM 0 HD11 LEU A 36 8.452 0.558 5.426 1.00 0.00 H new ATOM 0 HD12 LEU A 36 9.816 1.700 5.462 1.00 0.00 H new ATOM 0 HD13 LEU A 36 9.207 1.090 3.905 1.00 0.00 H new ATOM 0 HD21 LEU A 36 8.823 -1.814 4.858 1.00 0.00 H new ATOM 0 HD22 LEU A 36 9.594 -1.375 3.315 1.00 0.00 H new ATOM 0 HD23 LEU A 36 10.459 -2.404 4.481 1.00 0.00 H new ATOM 527 N PHE A 37 12.653 0.288 7.618 1.00 0.00 N ATOM 528 CA PHE A 37 12.963 -0.463 8.829 1.00 0.00 C ATOM 529 C PHE A 37 11.685 -0.876 9.554 1.00 0.00 C ATOM 530 O PHE A 37 10.807 -0.050 9.807 1.00 0.00 O ATOM 531 CB PHE A 37 13.845 0.371 9.760 1.00 0.00 C ATOM 532 CG PHE A 37 15.130 0.818 9.126 1.00 0.00 C ATOM 533 CD1 PHE A 37 16.175 -0.073 8.941 1.00 0.00 C ATOM 534 CD2 PHE A 37 15.295 2.131 8.714 1.00 0.00 C ATOM 535 CE1 PHE A 37 17.359 0.336 8.358 1.00 0.00 C ATOM 536 CE2 PHE A 37 16.477 2.546 8.130 1.00 0.00 C ATOM 537 CZ PHE A 37 17.511 1.648 7.951 1.00 0.00 C ATOM 0 H PHE A 37 12.076 1.115 7.770 1.00 0.00 H new ATOM 0 HA PHE A 37 13.503 -1.364 8.540 1.00 0.00 H new ATOM 0 HB2 PHE A 37 13.286 1.248 10.088 1.00 0.00 H new ATOM 0 HB3 PHE A 37 14.073 -0.213 10.652 1.00 0.00 H new ATOM 0 HD1 PHE A 37 16.063 -1.100 9.256 1.00 0.00 H new ATOM 0 HD2 PHE A 37 14.490 2.838 8.851 1.00 0.00 H new ATOM 0 HE1 PHE A 37 18.165 -0.369 8.220 1.00 0.00 H new ATOM 0 HE2 PHE A 37 16.592 3.572 7.814 1.00 0.00 H new ATOM 0 HZ PHE A 37 18.435 1.970 7.494 1.00 0.00 H new ATOM 547 N VAL A 38 11.589 -2.159 9.886 1.00 0.00 N ATOM 548 CA VAL A 38 10.419 -2.682 10.584 1.00 0.00 C ATOM 549 C VAL A 38 10.772 -3.106 12.005 1.00 0.00 C ATOM 550 O VAL A 38 11.691 -3.897 12.219 1.00 0.00 O ATOM 551 CB VAL A 38 9.812 -3.884 9.836 1.00 0.00 C ATOM 552 CG1 VAL A 38 10.620 -5.145 10.106 1.00 0.00 C ATOM 553 CG2 VAL A 38 8.357 -4.079 10.235 1.00 0.00 C ATOM 0 H VAL A 38 12.306 -2.856 9.684 1.00 0.00 H new ATOM 0 HA VAL A 38 9.684 -1.878 10.620 1.00 0.00 H new ATOM 0 HB VAL A 38 9.848 -3.680 8.766 1.00 0.00 H new ATOM 0 HG11 VAL A 38 10.176 -5.983 9.569 1.00 0.00 H new ATOM 0 HG12 VAL A 38 11.646 -4.999 9.767 1.00 0.00 H new ATOM 0 HG13 VAL A 38 10.618 -5.357 11.175 1.00 0.00 H new ATOM 0 HG21 VAL A 38 7.943 -4.932 9.697 1.00 0.00 H new ATOM 0 HG22 VAL A 38 8.295 -4.262 11.308 1.00 0.00 H new ATOM 0 HG23 VAL A 38 7.788 -3.183 9.986 1.00 0.00 H new ATOM 563 N PHE A 39 10.033 -2.577 12.974 1.00 0.00 N ATOM 564 CA PHE A 39 10.266 -2.901 14.377 1.00 0.00 C ATOM 565 C PHE A 39 9.803 -4.319 14.693 1.00 0.00 C ATOM 566 O PHE A 39 8.606 -4.610 14.682 1.00 0.00 O ATOM 567 CB PHE A 39 9.541 -1.902 15.280 1.00 0.00 C ATOM 568 CG PHE A 39 9.801 -2.119 16.744 1.00 0.00 C ATOM 569 CD1 PHE A 39 9.025 -3.003 17.476 1.00 0.00 C ATOM 570 CD2 PHE A 39 10.821 -1.437 17.388 1.00 0.00 C ATOM 571 CE1 PHE A 39 9.261 -3.205 18.822 1.00 0.00 C ATOM 572 CE2 PHE A 39 11.063 -1.636 18.734 1.00 0.00 C ATOM 573 CZ PHE A 39 10.281 -2.520 19.452 1.00 0.00 C ATOM 0 H PHE A 39 9.268 -1.922 12.814 1.00 0.00 H new ATOM 0 HA PHE A 39 11.338 -2.839 14.565 1.00 0.00 H new ATOM 0 HB2 PHE A 39 9.848 -0.891 15.010 1.00 0.00 H new ATOM 0 HB3 PHE A 39 8.469 -1.969 15.096 1.00 0.00 H new ATOM 0 HD1 PHE A 39 8.226 -3.541 16.988 1.00 0.00 H new ATOM 0 HD2 PHE A 39 11.433 -0.743 16.832 1.00 0.00 H new ATOM 0 HE1 PHE A 39 8.649 -3.897 19.381 1.00 0.00 H new ATOM 0 HE2 PHE A 39 11.863 -1.101 19.224 1.00 0.00 H new ATOM 0 HZ PHE A 39 10.467 -2.675 20.504 1.00 0.00 H new ATOM 583 N ASP A 40 10.758 -5.199 14.973 1.00 0.00 N ATOM 584 CA ASP A 40 10.449 -6.588 15.292 1.00 0.00 C ATOM 585 C ASP A 40 10.423 -6.806 16.802 1.00 0.00 C ATOM 586 O ASP A 40 11.469 -6.915 17.443 1.00 0.00 O ATOM 587 CB ASP A 40 11.473 -7.522 14.647 1.00 0.00 C ATOM 588 CG ASP A 40 11.062 -7.961 13.257 1.00 0.00 C ATOM 589 OD1 ASP A 40 10.095 -8.744 13.143 1.00 0.00 O ATOM 590 OD2 ASP A 40 11.707 -7.524 12.280 1.00 0.00 O ATOM 0 H ASP A 40 11.753 -4.975 14.986 1.00 0.00 H new ATOM 0 HA ASP A 40 9.460 -6.815 14.893 1.00 0.00 H new ATOM 0 HB2 ASP A 40 12.438 -7.018 14.595 1.00 0.00 H new ATOM 0 HB3 ASP A 40 11.606 -8.401 15.278 1.00 0.00 H new ATOM 595 N LYS A 41 9.220 -6.866 17.366 1.00 0.00 N ATOM 596 CA LYS A 41 9.056 -7.071 18.799 1.00 0.00 C ATOM 597 C LYS A 41 10.037 -8.120 19.315 1.00 0.00 C ATOM 598 O LYS A 41 10.392 -8.127 20.495 1.00 0.00 O ATOM 599 CB LYS A 41 7.622 -7.500 19.114 1.00 0.00 C ATOM 600 CG LYS A 41 7.170 -7.132 20.516 1.00 0.00 C ATOM 601 CD LYS A 41 5.657 -7.017 20.602 1.00 0.00 C ATOM 602 CE LYS A 41 5.183 -5.612 20.265 1.00 0.00 C ATOM 603 NZ LYS A 41 3.749 -5.412 20.610 1.00 0.00 N ATOM 0 H LYS A 41 8.344 -6.775 16.851 1.00 0.00 H new ATOM 0 HA LYS A 41 9.264 -6.126 19.301 1.00 0.00 H new ATOM 0 HB2 LYS A 41 6.947 -7.040 18.392 1.00 0.00 H new ATOM 0 HB3 LYS A 41 7.538 -8.579 18.986 1.00 0.00 H new ATOM 0 HG2 LYS A 41 7.519 -7.886 21.221 1.00 0.00 H new ATOM 0 HG3 LYS A 41 7.625 -6.186 20.809 1.00 0.00 H new ATOM 0 HD2 LYS A 41 5.198 -7.731 19.918 1.00 0.00 H new ATOM 0 HD3 LYS A 41 5.328 -7.282 21.607 1.00 0.00 H new ATOM 0 HE2 LYS A 41 5.791 -4.885 20.804 1.00 0.00 H new ATOM 0 HE3 LYS A 41 5.330 -5.425 19.201 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 3.465 -4.442 20.365 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 3.166 -6.089 20.077 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 3.613 -5.565 21.630 1.00 0.00 H new ATOM 617 N THR A 42 10.473 -9.004 18.424 1.00 0.00 N ATOM 618 CA THR A 42 11.412 -10.057 18.788 1.00 0.00 C ATOM 619 C THR A 42 12.741 -9.472 19.254 1.00 0.00 C ATOM 620 O THR A 42 13.302 -9.904 20.262 1.00 0.00 O ATOM 621 CB THR A 42 11.672 -11.013 17.609 1.00 0.00 C ATOM 622 OG1 THR A 42 10.432 -11.539 17.124 1.00 0.00 O ATOM 623 CG2 THR A 42 12.584 -12.155 18.028 1.00 0.00 C ATOM 0 H THR A 42 10.190 -9.012 17.444 1.00 0.00 H new ATOM 0 HA THR A 42 10.956 -10.616 19.605 1.00 0.00 H new ATOM 0 HB THR A 42 12.164 -10.451 16.815 1.00 0.00 H new ATOM 0 HG1 THR A 42 10.605 -12.145 16.373 1.00 0.00 H new ATOM 0 HG21 THR A 42 12.753 -12.816 17.178 1.00 0.00 H new ATOM 0 HG22 THR A 42 13.538 -11.753 18.369 1.00 0.00 H new ATOM 0 HG23 THR A 42 12.116 -12.716 18.837 1.00 0.00 H new ATOM 631 N SER A 43 13.240 -8.486 18.514 1.00 0.00 N ATOM 632 CA SER A 43 14.505 -7.843 18.850 1.00 0.00 C ATOM 633 C SER A 43 14.269 -6.561 19.644 1.00 0.00 C ATOM 634 O SER A 43 15.144 -6.105 20.379 1.00 0.00 O ATOM 635 CB SER A 43 15.297 -7.532 17.579 1.00 0.00 C ATOM 636 OG SER A 43 15.963 -8.686 17.098 1.00 0.00 O ATOM 0 H SER A 43 12.787 -8.116 17.678 1.00 0.00 H new ATOM 0 HA SER A 43 15.081 -8.531 19.468 1.00 0.00 H new ATOM 0 HB2 SER A 43 14.624 -7.150 16.811 1.00 0.00 H new ATOM 0 HB3 SER A 43 16.025 -6.747 17.783 1.00 0.00 H new ATOM 0 HG SER A 43 16.461 -8.461 16.284 1.00 0.00 H new ATOM 642 N GLN A 44 13.081 -5.986 19.486 1.00 0.00 N ATOM 643 CA GLN A 44 12.730 -4.756 20.186 1.00 0.00 C ATOM 644 C GLN A 44 13.560 -3.583 19.676 1.00 0.00 C ATOM 645 O GLN A 44 13.944 -2.701 20.443 1.00 0.00 O ATOM 646 CB GLN A 44 12.937 -4.925 21.693 1.00 0.00 C ATOM 647 CG GLN A 44 12.425 -6.251 22.232 1.00 0.00 C ATOM 648 CD GLN A 44 10.971 -6.187 22.654 1.00 0.00 C ATOM 649 OE1 GLN A 44 10.643 -6.385 23.825 1.00 0.00 O ATOM 650 NE2 GLN A 44 10.089 -5.910 21.701 1.00 0.00 N ATOM 0 H GLN A 44 12.346 -6.352 18.880 1.00 0.00 H new ATOM 0 HA GLN A 44 11.678 -4.545 19.992 1.00 0.00 H new ATOM 0 HB2 GLN A 44 14.000 -4.837 21.918 1.00 0.00 H new ATOM 0 HB3 GLN A 44 12.433 -4.111 22.214 1.00 0.00 H new ATOM 0 HG2 GLN A 44 12.544 -7.020 21.468 1.00 0.00 H new ATOM 0 HG3 GLN A 44 13.034 -6.552 23.085 1.00 0.00 H new ATOM 0 HE21 GLN A 44 10.405 -5.753 20.744 1.00 0.00 H new ATOM 0 HE22 GLN A 44 9.096 -5.854 21.926 1.00 0.00 H new ATOM 659 N SER A 45 13.833 -3.580 18.375 1.00 0.00 N ATOM 660 CA SER A 45 14.622 -2.517 17.762 1.00 0.00 C ATOM 661 C SER A 45 14.313 -2.402 16.272 1.00 0.00 C ATOM 662 O SER A 45 13.634 -3.254 15.701 1.00 0.00 O ATOM 663 CB SER A 45 16.116 -2.779 17.967 1.00 0.00 C ATOM 664 OG SER A 45 16.846 -1.565 17.996 1.00 0.00 O ATOM 0 H SER A 45 13.520 -4.301 17.725 1.00 0.00 H new ATOM 0 HA SER A 45 14.356 -1.576 18.244 1.00 0.00 H new ATOM 0 HB2 SER A 45 16.269 -3.322 18.900 1.00 0.00 H new ATOM 0 HB3 SER A 45 16.491 -3.414 17.164 1.00 0.00 H new ATOM 0 HG SER A 45 17.797 -1.758 18.130 1.00 0.00 H new ATOM 670 N TRP A 46 14.817 -1.342 15.651 1.00 0.00 N ATOM 671 CA TRP A 46 14.595 -1.114 14.228 1.00 0.00 C ATOM 672 C TRP A 46 15.387 -2.108 13.388 1.00 0.00 C ATOM 673 O TRP A 46 16.604 -1.988 13.247 1.00 0.00 O ATOM 674 CB TRP A 46 14.988 0.316 13.852 1.00 0.00 C ATOM 675 CG TRP A 46 13.989 1.343 14.295 1.00 0.00 C ATOM 676 CD1 TRP A 46 14.161 2.290 15.264 1.00 0.00 C ATOM 677 CD2 TRP A 46 12.664 1.523 13.785 1.00 0.00 C ATOM 678 NE1 TRP A 46 13.022 3.048 15.388 1.00 0.00 N ATOM 679 CE2 TRP A 46 12.089 2.598 14.491 1.00 0.00 C ATOM 680 CE3 TRP A 46 11.906 0.883 12.801 1.00 0.00 C ATOM 681 CZ2 TRP A 46 10.794 3.044 14.243 1.00 0.00 C ATOM 682 CZ3 TRP A 46 10.620 1.326 12.556 1.00 0.00 C ATOM 683 CH2 TRP A 46 10.074 2.399 13.273 1.00 0.00 C ATOM 0 H TRP A 46 15.382 -0.627 16.110 1.00 0.00 H new ATOM 0 HA TRP A 46 13.534 -1.258 14.024 1.00 0.00 H new ATOM 0 HB2 TRP A 46 15.957 0.547 14.295 1.00 0.00 H new ATOM 0 HB3 TRP A 46 15.109 0.380 12.771 1.00 0.00 H new ATOM 0 HD1 TRP A 46 15.060 2.423 15.847 1.00 0.00 H new ATOM 0 HE1 TRP A 46 12.892 3.820 16.042 1.00 0.00 H new ATOM 0 HE3 TRP A 46 12.318 0.056 12.241 1.00 0.00 H new ATOM 0 HZ2 TRP A 46 10.372 3.870 14.796 1.00 0.00 H new ATOM 0 HZ3 TRP A 46 10.025 0.837 11.799 1.00 0.00 H new ATOM 0 HH2 TRP A 46 9.067 2.723 13.057 1.00 0.00 H new ATOM 694 N VAL A 47 14.690 -3.093 12.829 1.00 0.00 N ATOM 695 CA VAL A 47 15.328 -4.109 12.001 1.00 0.00 C ATOM 696 C VAL A 47 15.066 -3.855 10.520 1.00 0.00 C ATOM 697 O VAL A 47 13.964 -3.470 10.133 1.00 0.00 O ATOM 698 CB VAL A 47 14.833 -5.521 12.364 1.00 0.00 C ATOM 699 CG1 VAL A 47 15.474 -6.561 11.456 1.00 0.00 C ATOM 700 CG2 VAL A 47 15.122 -5.827 13.825 1.00 0.00 C ATOM 0 H VAL A 47 13.682 -3.208 12.935 1.00 0.00 H new ATOM 0 HA VAL A 47 16.399 -4.047 12.193 1.00 0.00 H new ATOM 0 HB VAL A 47 13.754 -5.559 12.215 1.00 0.00 H new ATOM 0 HG11 VAL A 47 15.113 -7.553 11.727 1.00 0.00 H new ATOM 0 HG12 VAL A 47 15.212 -6.350 10.419 1.00 0.00 H new ATOM 0 HG13 VAL A 47 16.557 -6.526 11.571 1.00 0.00 H new ATOM 0 HG21 VAL A 47 14.766 -6.829 14.064 1.00 0.00 H new ATOM 0 HG22 VAL A 47 16.196 -5.772 14.003 1.00 0.00 H new ATOM 0 HG23 VAL A 47 14.612 -5.100 14.457 1.00 0.00 H new ATOM 710 N GLU A 48 16.088 -4.073 9.698 1.00 0.00 N ATOM 711 CA GLU A 48 15.968 -3.868 8.260 1.00 0.00 C ATOM 712 C GLU A 48 14.961 -4.841 7.654 1.00 0.00 C ATOM 713 O GLU A 48 15.041 -6.049 7.875 1.00 0.00 O ATOM 714 CB GLU A 48 17.329 -4.036 7.582 1.00 0.00 C ATOM 715 CG GLU A 48 17.263 -3.995 6.065 1.00 0.00 C ATOM 716 CD GLU A 48 17.024 -5.362 5.454 1.00 0.00 C ATOM 717 OE1 GLU A 48 17.930 -6.218 5.539 1.00 0.00 O ATOM 718 OE2 GLU A 48 15.929 -5.577 4.892 1.00 0.00 O ATOM 0 H GLU A 48 17.008 -4.391 10.004 1.00 0.00 H new ATOM 0 HA GLU A 48 15.611 -2.852 8.093 1.00 0.00 H new ATOM 0 HB2 GLU A 48 17.998 -3.249 7.929 1.00 0.00 H new ATOM 0 HB3 GLU A 48 17.765 -4.985 7.893 1.00 0.00 H new ATOM 0 HG2 GLU A 48 16.465 -3.319 5.758 1.00 0.00 H new ATOM 0 HG3 GLU A 48 18.195 -3.585 5.676 1.00 0.00 H new ATOM 725 N ARG A 49 14.016 -4.306 6.887 1.00 0.00 N ATOM 726 CA ARG A 49 12.993 -5.127 6.251 1.00 0.00 C ATOM 727 C ARG A 49 13.200 -5.176 4.740 1.00 0.00 C ATOM 728 O ARG A 49 12.981 -6.209 4.107 1.00 0.00 O ATOM 729 CB ARG A 49 11.600 -4.581 6.569 1.00 0.00 C ATOM 730 CG ARG A 49 10.519 -5.649 6.598 1.00 0.00 C ATOM 731 CD ARG A 49 10.396 -6.353 5.256 1.00 0.00 C ATOM 732 NE ARG A 49 9.045 -6.856 5.024 1.00 0.00 N ATOM 733 CZ ARG A 49 8.768 -7.870 4.210 1.00 0.00 C ATOM 734 NH1 ARG A 49 9.743 -8.485 3.556 1.00 0.00 N ATOM 735 NH2 ARG A 49 7.512 -8.271 4.051 1.00 0.00 N ATOM 0 H ARG A 49 13.938 -3.308 6.691 1.00 0.00 H new ATOM 0 HA ARG A 49 13.077 -6.140 6.646 1.00 0.00 H new ATOM 0 HB2 ARG A 49 11.628 -4.078 7.536 1.00 0.00 H new ATOM 0 HB3 ARG A 49 11.336 -3.829 5.826 1.00 0.00 H new ATOM 0 HG2 ARG A 49 10.748 -6.380 7.374 1.00 0.00 H new ATOM 0 HG3 ARG A 49 9.564 -5.194 6.861 1.00 0.00 H new ATOM 0 HD2 ARG A 49 10.668 -5.662 4.458 1.00 0.00 H new ATOM 0 HD3 ARG A 49 11.103 -7.181 5.215 1.00 0.00 H new ATOM 0 HE ARG A 49 8.272 -6.405 5.513 1.00 0.00 H new ATOM 0 HH11 ARG A 49 10.709 -8.181 3.677 1.00 0.00 H new ATOM 0 HH12 ARG A 49 9.527 -9.263 2.932 1.00 0.00 H new ATOM 0 HH21 ARG A 49 6.759 -7.801 4.554 1.00 0.00 H new ATOM 0 HH22 ARG A 49 7.300 -9.049 3.426 1.00 0.00 H new ATOM 749 N GLY A 50 13.620 -4.052 4.168 1.00 0.00 N ATOM 750 CA GLY A 50 13.848 -3.989 2.735 1.00 0.00 C ATOM 751 C GLY A 50 14.124 -2.578 2.255 1.00 0.00 C ATOM 752 O GLY A 50 13.244 -1.718 2.295 1.00 0.00 O ATOM 0 H GLY A 50 13.807 -3.184 4.670 1.00 0.00 H new ATOM 0 HA2 GLY A 50 14.691 -4.629 2.476 1.00 0.00 H new ATOM 0 HA3 GLY A 50 12.976 -4.383 2.213 1.00 0.00 H new ATOM 756 N ARG A 51 15.350 -2.339 1.801 1.00 0.00 N ATOM 757 CA ARG A 51 15.741 -1.021 1.314 1.00 0.00 C ATOM 758 C ARG A 51 15.866 -1.020 -0.207 1.00 0.00 C ATOM 759 O ARG A 51 16.232 -2.028 -0.812 1.00 0.00 O ATOM 760 CB ARG A 51 17.067 -0.593 1.945 1.00 0.00 C ATOM 761 CG ARG A 51 18.209 -1.561 1.680 1.00 0.00 C ATOM 762 CD ARG A 51 18.301 -2.624 2.763 1.00 0.00 C ATOM 763 NE ARG A 51 19.171 -2.213 3.861 1.00 0.00 N ATOM 764 CZ ARG A 51 20.496 -2.174 3.774 1.00 0.00 C ATOM 765 NH1 ARG A 51 21.101 -2.520 2.646 1.00 0.00 N ATOM 766 NH2 ARG A 51 21.220 -1.788 4.817 1.00 0.00 N ATOM 0 H ARG A 51 16.089 -3.040 1.760 1.00 0.00 H new ATOM 0 HA ARG A 51 14.965 -0.311 1.599 1.00 0.00 H new ATOM 0 HB2 ARG A 51 17.340 0.391 1.564 1.00 0.00 H new ATOM 0 HB3 ARG A 51 16.931 -0.491 3.022 1.00 0.00 H new ATOM 0 HG2 ARG A 51 18.065 -2.039 0.711 1.00 0.00 H new ATOM 0 HG3 ARG A 51 19.149 -1.011 1.628 1.00 0.00 H new ATOM 0 HD2 ARG A 51 17.304 -2.834 3.150 1.00 0.00 H new ATOM 0 HD3 ARG A 51 18.677 -3.551 2.330 1.00 0.00 H new ATOM 0 HE ARG A 51 18.738 -1.941 4.743 1.00 0.00 H new ATOM 0 HH11 ARG A 51 20.549 -2.817 1.842 1.00 0.00 H new ATOM 0 HH12 ARG A 51 22.119 -2.489 2.583 1.00 0.00 H new ATOM 0 HH21 ARG A 51 20.759 -1.521 5.687 1.00 0.00 H new ATOM 0 HH22 ARG A 51 22.237 -1.759 4.749 1.00 0.00 H new ATOM 780 N GLY A 52 15.560 0.120 -0.820 1.00 0.00 N ATOM 781 CA GLY A 52 15.643 0.230 -2.265 1.00 0.00 C ATOM 782 C GLY A 52 14.934 1.462 -2.793 1.00 0.00 C ATOM 783 O GLY A 52 15.268 2.588 -2.422 1.00 0.00 O ATOM 0 H GLY A 52 15.256 0.968 -0.342 1.00 0.00 H new ATOM 0 HA2 GLY A 52 16.691 0.261 -2.565 1.00 0.00 H new ATOM 0 HA3 GLY A 52 15.207 -0.660 -2.720 1.00 0.00 H new ATOM 787 N LEU A 53 13.954 1.251 -3.664 1.00 0.00 N ATOM 788 CA LEU A 53 13.197 2.353 -4.247 1.00 0.00 C ATOM 789 C LEU A 53 11.877 2.558 -3.508 1.00 0.00 C ATOM 790 O LEU A 53 11.271 1.602 -3.022 1.00 0.00 O ATOM 791 CB LEU A 53 12.928 2.086 -5.729 1.00 0.00 C ATOM 792 CG LEU A 53 12.009 3.083 -6.435 1.00 0.00 C ATOM 793 CD1 LEU A 53 12.681 4.443 -6.543 1.00 0.00 C ATOM 794 CD2 LEU A 53 11.620 2.568 -7.813 1.00 0.00 C ATOM 0 H LEU A 53 13.665 0.326 -3.982 1.00 0.00 H new ATOM 0 HA LEU A 53 13.792 3.261 -4.150 1.00 0.00 H new ATOM 0 HB2 LEU A 53 13.883 2.069 -6.254 1.00 0.00 H new ATOM 0 HB3 LEU A 53 12.493 1.091 -5.825 1.00 0.00 H new ATOM 0 HG LEU A 53 11.101 3.194 -5.842 1.00 0.00 H new ATOM 0 HD11 LEU A 53 12.012 5.140 -7.048 1.00 0.00 H new ATOM 0 HD12 LEU A 53 12.908 4.817 -5.545 1.00 0.00 H new ATOM 0 HD13 LEU A 53 13.605 4.348 -7.114 1.00 0.00 H new ATOM 0 HD21 LEU A 53 10.966 3.291 -8.300 1.00 0.00 H new ATOM 0 HD22 LEU A 53 12.517 2.427 -8.415 1.00 0.00 H new ATOM 0 HD23 LEU A 53 11.098 1.617 -7.712 1.00 0.00 H new ATOM 806 N LEU A 54 11.439 3.809 -3.430 1.00 0.00 N ATOM 807 CA LEU A 54 10.189 4.140 -2.752 1.00 0.00 C ATOM 808 C LEU A 54 9.465 5.274 -3.470 1.00 0.00 C ATOM 809 O LEU A 54 10.043 6.331 -3.725 1.00 0.00 O ATOM 810 CB LEU A 54 10.463 4.532 -1.300 1.00 0.00 C ATOM 811 CG LEU A 54 9.270 5.084 -0.517 1.00 0.00 C ATOM 812 CD1 LEU A 54 8.538 3.962 0.202 1.00 0.00 C ATOM 813 CD2 LEU A 54 9.726 6.146 0.473 1.00 0.00 C ATOM 0 H LEU A 54 11.929 4.611 -3.827 1.00 0.00 H new ATOM 0 HA LEU A 54 9.549 3.258 -2.769 1.00 0.00 H new ATOM 0 HB2 LEU A 54 10.844 3.657 -0.774 1.00 0.00 H new ATOM 0 HB3 LEU A 54 11.256 5.280 -1.290 1.00 0.00 H new ATOM 0 HG LEU A 54 8.580 5.547 -1.223 1.00 0.00 H new ATOM 0 HD11 LEU A 54 7.693 4.374 0.753 1.00 0.00 H new ATOM 0 HD12 LEU A 54 8.177 3.237 -0.528 1.00 0.00 H new ATOM 0 HD13 LEU A 54 9.219 3.470 0.896 1.00 0.00 H new ATOM 0 HD21 LEU A 54 8.864 6.527 1.021 1.00 0.00 H new ATOM 0 HD22 LEU A 54 10.437 5.709 1.174 1.00 0.00 H new ATOM 0 HD23 LEU A 54 10.204 6.964 -0.066 1.00 0.00 H new ATOM 825 N ARG A 55 8.195 5.049 -3.791 1.00 0.00 N ATOM 826 CA ARG A 55 7.391 6.053 -4.479 1.00 0.00 C ATOM 827 C ARG A 55 5.915 5.903 -4.122 1.00 0.00 C ATOM 828 O ARG A 55 5.445 4.804 -3.826 1.00 0.00 O ATOM 829 CB ARG A 55 7.576 5.936 -5.993 1.00 0.00 C ATOM 830 CG ARG A 55 6.857 4.744 -6.604 1.00 0.00 C ATOM 831 CD ARG A 55 7.741 3.507 -6.616 1.00 0.00 C ATOM 832 NE ARG A 55 6.981 2.292 -6.894 1.00 0.00 N ATOM 833 CZ ARG A 55 6.615 1.917 -8.115 1.00 0.00 C ATOM 834 NH1 ARG A 55 6.940 2.659 -9.165 1.00 0.00 N ATOM 835 NH2 ARG A 55 5.923 0.799 -8.288 1.00 0.00 N ATOM 0 H ARG A 55 7.701 4.181 -3.586 1.00 0.00 H new ATOM 0 HA ARG A 55 7.728 7.038 -4.155 1.00 0.00 H new ATOM 0 HB2 ARG A 55 7.215 6.849 -6.466 1.00 0.00 H new ATOM 0 HB3 ARG A 55 8.640 5.861 -6.216 1.00 0.00 H new ATOM 0 HG2 ARG A 55 5.948 4.537 -6.039 1.00 0.00 H new ATOM 0 HG3 ARG A 55 6.552 4.985 -7.622 1.00 0.00 H new ATOM 0 HD2 ARG A 55 8.521 3.626 -7.368 1.00 0.00 H new ATOM 0 HD3 ARG A 55 8.240 3.409 -5.652 1.00 0.00 H new ATOM 0 HE ARG A 55 6.716 1.698 -6.108 1.00 0.00 H new ATOM 0 HH11 ARG A 55 7.472 3.520 -9.036 1.00 0.00 H new ATOM 0 HH12 ARG A 55 6.658 2.369 -10.101 1.00 0.00 H new ATOM 0 HH21 ARG A 55 5.671 0.226 -7.483 1.00 0.00 H new ATOM 0 HH22 ARG A 55 5.643 0.513 -9.226 1.00 0.00 H new ATOM 849 N LEU A 56 5.188 7.014 -4.154 1.00 0.00 N ATOM 850 CA LEU A 56 3.765 7.008 -3.835 1.00 0.00 C ATOM 851 C LEU A 56 2.928 6.752 -5.083 1.00 0.00 C ATOM 852 O LEU A 56 2.899 7.569 -6.003 1.00 0.00 O ATOM 853 CB LEU A 56 3.359 8.339 -3.200 1.00 0.00 C ATOM 854 CG LEU A 56 1.859 8.636 -3.165 1.00 0.00 C ATOM 855 CD1 LEU A 56 1.240 8.104 -1.882 1.00 0.00 C ATOM 856 CD2 LEU A 56 1.608 10.131 -3.301 1.00 0.00 C ATOM 0 H LEU A 56 5.561 7.931 -4.398 1.00 0.00 H new ATOM 0 HA LEU A 56 3.581 6.202 -3.125 1.00 0.00 H new ATOM 0 HB2 LEU A 56 3.737 8.362 -2.178 1.00 0.00 H new ATOM 0 HB3 LEU A 56 3.856 9.144 -3.742 1.00 0.00 H new ATOM 0 HG LEU A 56 1.388 8.131 -4.008 1.00 0.00 H new ATOM 0 HD11 LEU A 56 0.173 8.324 -1.874 1.00 0.00 H new ATOM 0 HD12 LEU A 56 1.388 7.026 -1.826 1.00 0.00 H new ATOM 0 HD13 LEU A 56 1.715 8.580 -1.024 1.00 0.00 H new ATOM 0 HD21 LEU A 56 0.536 10.324 -3.274 1.00 0.00 H new ATOM 0 HD22 LEU A 56 2.092 10.658 -2.478 1.00 0.00 H new ATOM 0 HD23 LEU A 56 2.016 10.484 -4.248 1.00 0.00 H new ATOM 868 N ASN A 57 2.246 5.611 -5.109 1.00 0.00 N ATOM 869 CA ASN A 57 1.406 5.247 -6.244 1.00 0.00 C ATOM 870 C ASN A 57 -0.029 5.719 -6.033 1.00 0.00 C ATOM 871 O ASN A 57 -0.643 5.428 -5.006 1.00 0.00 O ATOM 872 CB ASN A 57 1.431 3.733 -6.459 1.00 0.00 C ATOM 873 CG ASN A 57 1.321 3.354 -7.924 1.00 0.00 C ATOM 874 OD1 ASN A 57 0.562 3.962 -8.678 1.00 0.00 O ATOM 875 ND2 ASN A 57 2.080 2.344 -8.333 1.00 0.00 N ATOM 0 H ASN A 57 2.259 4.923 -4.356 1.00 0.00 H new ATOM 0 HA ASN A 57 1.804 5.739 -7.131 1.00 0.00 H new ATOM 0 HB2 ASN A 57 2.356 3.326 -6.050 1.00 0.00 H new ATOM 0 HB3 ASN A 57 0.610 3.277 -5.906 1.00 0.00 H new ATOM 0 HD21 ASN A 57 2.048 2.044 -9.307 1.00 0.00 H new ATOM 0 HD22 ASN A 57 2.695 1.868 -7.673 1.00 0.00 H new ATOM 882 N ASP A 58 -0.557 6.446 -7.011 1.00 0.00 N ATOM 883 CA ASP A 58 -1.921 6.957 -6.933 1.00 0.00 C ATOM 884 C ASP A 58 -2.892 6.023 -7.648 1.00 0.00 C ATOM 885 O ASP A 58 -2.694 5.679 -8.813 1.00 0.00 O ATOM 886 CB ASP A 58 -1.999 8.358 -7.541 1.00 0.00 C ATOM 887 CG ASP A 58 -1.313 9.402 -6.682 1.00 0.00 C ATOM 888 OD1 ASP A 58 -1.297 9.235 -5.445 1.00 0.00 O ATOM 889 OD2 ASP A 58 -0.791 10.385 -7.247 1.00 0.00 O ATOM 0 H ASP A 58 -0.062 6.695 -7.867 1.00 0.00 H new ATOM 0 HA ASP A 58 -2.204 7.010 -5.882 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -1.541 8.348 -8.530 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -3.045 8.634 -7.677 1.00 0.00 H new ATOM 894 N MET A 59 -3.942 5.617 -6.943 1.00 0.00 N ATOM 895 CA MET A 59 -4.945 4.723 -7.511 1.00 0.00 C ATOM 896 C MET A 59 -6.353 5.189 -7.155 1.00 0.00 C ATOM 897 O MET A 59 -6.566 5.814 -6.116 1.00 0.00 O ATOM 898 CB MET A 59 -4.727 3.294 -7.010 1.00 0.00 C ATOM 899 CG MET A 59 -4.967 3.129 -5.519 1.00 0.00 C ATOM 900 SD MET A 59 -4.241 1.614 -4.861 1.00 0.00 S ATOM 901 CE MET A 59 -4.535 1.831 -3.108 1.00 0.00 C ATOM 0 H MET A 59 -4.121 5.892 -5.977 1.00 0.00 H new ATOM 0 HA MET A 59 -4.839 4.741 -8.596 1.00 0.00 H new ATOM 0 HB2 MET A 59 -5.392 2.622 -7.553 1.00 0.00 H new ATOM 0 HB3 MET A 59 -3.707 2.989 -7.241 1.00 0.00 H new ATOM 0 HG2 MET A 59 -4.550 3.986 -4.991 1.00 0.00 H new ATOM 0 HG3 MET A 59 -6.040 3.127 -5.326 1.00 0.00 H new ATOM 0 HE1 MET A 59 -4.125 0.981 -2.562 1.00 0.00 H new ATOM 0 HE2 MET A 59 -4.052 2.747 -2.769 1.00 0.00 H new ATOM 0 HE3 MET A 59 -5.607 1.897 -2.924 1.00 0.00 H new ATOM 911 N ALA A 60 -7.310 4.882 -8.024 1.00 0.00 N ATOM 912 CA ALA A 60 -8.699 5.268 -7.800 1.00 0.00 C ATOM 913 C ALA A 60 -9.368 4.347 -6.785 1.00 0.00 C ATOM 914 O ALA A 60 -8.960 3.198 -6.613 1.00 0.00 O ATOM 915 CB ALA A 60 -9.468 5.258 -9.113 1.00 0.00 C ATOM 0 H ALA A 60 -7.150 4.367 -8.890 1.00 0.00 H new ATOM 0 HA ALA A 60 -8.708 6.280 -7.394 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -10.503 5.548 -8.931 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -9.011 5.962 -9.808 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -9.442 4.256 -9.542 1.00 0.00 H new ATOM 921 N SER A 61 -10.395 4.858 -6.117 1.00 0.00 N ATOM 922 CA SER A 61 -11.118 4.083 -5.115 1.00 0.00 C ATOM 923 C SER A 61 -12.274 3.316 -5.752 1.00 0.00 C ATOM 924 O SER A 61 -12.761 3.681 -6.824 1.00 0.00 O ATOM 925 CB SER A 61 -11.648 5.001 -4.012 1.00 0.00 C ATOM 926 OG SER A 61 -11.693 4.328 -2.766 1.00 0.00 O ATOM 0 H SER A 61 -10.746 5.806 -6.251 1.00 0.00 H new ATOM 0 HA SER A 61 -10.424 3.365 -4.678 1.00 0.00 H new ATOM 0 HB2 SER A 61 -11.011 5.882 -3.930 1.00 0.00 H new ATOM 0 HB3 SER A 61 -12.646 5.352 -4.275 1.00 0.00 H new ATOM 0 HG SER A 61 -12.566 3.895 -2.659 1.00 0.00 H new ATOM 932 N THR A 62 -12.709 2.252 -5.085 1.00 0.00 N ATOM 933 CA THR A 62 -13.805 1.432 -5.586 1.00 0.00 C ATOM 934 C THR A 62 -15.122 1.809 -4.916 1.00 0.00 C ATOM 935 O THR A 62 -16.105 2.117 -5.591 1.00 0.00 O ATOM 936 CB THR A 62 -13.537 -0.067 -5.355 1.00 0.00 C ATOM 937 OG1 THR A 62 -14.771 -0.757 -5.126 1.00 0.00 O ATOM 938 CG2 THR A 62 -12.607 -0.274 -4.168 1.00 0.00 C ATOM 0 H THR A 62 -12.319 1.938 -4.196 1.00 0.00 H new ATOM 0 HA THR A 62 -13.877 1.620 -6.657 1.00 0.00 H new ATOM 0 HB THR A 62 -13.057 -0.469 -6.247 1.00 0.00 H new ATOM 0 HG1 THR A 62 -14.591 -1.710 -4.982 1.00 0.00 H new ATOM 0 HG21 THR A 62 -12.432 -1.340 -4.024 1.00 0.00 H new ATOM 0 HG22 THR A 62 -11.658 0.227 -4.358 1.00 0.00 H new ATOM 0 HG23 THR A 62 -13.064 0.143 -3.271 1.00 0.00 H new ATOM 946 N ASP A 63 -15.135 1.784 -3.589 1.00 0.00 N ATOM 947 CA ASP A 63 -16.332 2.125 -2.829 1.00 0.00 C ATOM 948 C ASP A 63 -16.435 3.633 -2.626 1.00 0.00 C ATOM 949 O ASP A 63 -17.454 4.138 -2.153 1.00 0.00 O ATOM 950 CB ASP A 63 -16.321 1.416 -1.473 1.00 0.00 C ATOM 951 CG ASP A 63 -17.685 1.406 -0.814 1.00 0.00 C ATOM 952 OD1 ASP A 63 -18.697 1.327 -1.543 1.00 0.00 O ATOM 953 OD2 ASP A 63 -17.743 1.475 0.432 1.00 0.00 O ATOM 0 H ASP A 63 -14.330 1.531 -3.016 1.00 0.00 H new ATOM 0 HA ASP A 63 -17.200 1.792 -3.398 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -15.977 0.390 -1.606 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -15.606 1.909 -0.814 1.00 0.00 H new ATOM 958 N ASP A 64 -15.375 4.348 -2.987 1.00 0.00 N ATOM 959 CA ASP A 64 -15.346 5.799 -2.845 1.00 0.00 C ATOM 960 C ASP A 64 -15.154 6.473 -4.200 1.00 0.00 C ATOM 961 O ASP A 64 -15.440 7.659 -4.361 1.00 0.00 O ATOM 962 CB ASP A 64 -14.228 6.218 -1.890 1.00 0.00 C ATOM 963 CG ASP A 64 -14.391 5.614 -0.509 1.00 0.00 C ATOM 964 OD1 ASP A 64 -15.547 5.430 -0.075 1.00 0.00 O ATOM 965 OD2 ASP A 64 -13.362 5.326 0.139 1.00 0.00 O ATOM 0 H ASP A 64 -14.524 3.946 -3.380 1.00 0.00 H new ATOM 0 HA ASP A 64 -16.303 6.118 -2.432 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -13.267 5.915 -2.305 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -14.212 7.305 -1.809 1.00 0.00 H new ATOM 970 N GLY A 65 -14.665 5.709 -5.173 1.00 0.00 N ATOM 971 CA GLY A 65 -14.442 6.250 -6.501 1.00 0.00 C ATOM 972 C GLY A 65 -13.581 7.497 -6.480 1.00 0.00 C ATOM 973 O GLY A 65 -13.490 8.215 -7.477 1.00 0.00 O ATOM 0 H GLY A 65 -14.419 4.725 -5.065 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -13.965 5.493 -7.123 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -15.402 6.482 -6.962 1.00 0.00 H new ATOM 977 N THR A 66 -12.945 7.758 -5.342 1.00 0.00 N ATOM 978 CA THR A 66 -12.090 8.928 -5.195 1.00 0.00 C ATOM 979 C THR A 66 -10.623 8.567 -5.403 1.00 0.00 C ATOM 980 O THR A 66 -10.279 7.396 -5.568 1.00 0.00 O ATOM 981 CB THR A 66 -12.255 9.574 -3.807 1.00 0.00 C ATOM 982 OG1 THR A 66 -11.819 10.938 -3.846 1.00 0.00 O ATOM 983 CG2 THR A 66 -11.461 8.812 -2.756 1.00 0.00 C ATOM 0 H THR A 66 -13.007 7.174 -4.508 1.00 0.00 H new ATOM 0 HA THR A 66 -12.398 9.642 -5.959 1.00 0.00 H new ATOM 0 HB THR A 66 -13.311 9.538 -3.538 1.00 0.00 H new ATOM 0 HG1 THR A 66 -11.929 11.342 -2.960 1.00 0.00 H new ATOM 0 HG21 THR A 66 -11.594 9.288 -1.784 1.00 0.00 H new ATOM 0 HG22 THR A 66 -11.816 7.782 -2.708 1.00 0.00 H new ATOM 0 HG23 THR A 66 -10.404 8.819 -3.022 1.00 0.00 H new ATOM 991 N LEU A 67 -9.762 9.579 -5.394 1.00 0.00 N ATOM 992 CA LEU A 67 -8.331 9.367 -5.582 1.00 0.00 C ATOM 993 C LEU A 67 -7.721 8.670 -4.370 1.00 0.00 C ATOM 994 O LEU A 67 -7.435 9.306 -3.355 1.00 0.00 O ATOM 995 CB LEU A 67 -7.626 10.703 -5.825 1.00 0.00 C ATOM 996 CG LEU A 67 -6.198 10.619 -6.363 1.00 0.00 C ATOM 997 CD1 LEU A 67 -5.249 10.114 -5.287 1.00 0.00 C ATOM 998 CD2 LEU A 67 -6.142 9.719 -7.590 1.00 0.00 C ATOM 0 H LEU A 67 -10.030 10.554 -5.259 1.00 0.00 H new ATOM 0 HA LEU A 67 -8.194 8.727 -6.454 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -8.224 11.284 -6.527 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -7.608 11.257 -4.887 1.00 0.00 H new ATOM 0 HG LEU A 67 -5.882 11.620 -6.656 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -4.237 10.061 -5.690 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -5.266 10.796 -4.437 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -5.562 9.122 -4.962 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -5.118 9.671 -7.960 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -6.479 8.717 -7.322 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -6.790 10.124 -8.368 1.00 0.00 H new ATOM 1010 N GLN A 68 -7.521 7.361 -4.484 1.00 0.00 N ATOM 1011 CA GLN A 68 -6.943 6.579 -3.398 1.00 0.00 C ATOM 1012 C GLN A 68 -5.422 6.544 -3.502 1.00 0.00 C ATOM 1013 O GLN A 68 -4.848 6.985 -4.498 1.00 0.00 O ATOM 1014 CB GLN A 68 -7.500 5.154 -3.415 1.00 0.00 C ATOM 1015 CG GLN A 68 -8.806 5.002 -2.651 1.00 0.00 C ATOM 1016 CD GLN A 68 -8.590 4.753 -1.171 1.00 0.00 C ATOM 1017 OE1 GLN A 68 -7.901 5.518 -0.495 1.00 0.00 O ATOM 1018 NE2 GLN A 68 -9.178 3.678 -0.659 1.00 0.00 N ATOM 0 H GLN A 68 -7.751 6.820 -5.318 1.00 0.00 H new ATOM 0 HA GLN A 68 -7.214 7.056 -2.456 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -7.656 4.846 -4.449 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -6.759 4.478 -2.989 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -9.405 5.903 -2.780 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -9.377 4.176 -3.075 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -9.740 3.071 -1.256 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -9.067 3.459 0.331 1.00 0.00 H new ATOM 1027 N SER A 69 -4.775 6.017 -2.468 1.00 0.00 N ATOM 1028 CA SER A 69 -3.320 5.928 -2.441 1.00 0.00 C ATOM 1029 C SER A 69 -2.863 4.757 -1.578 1.00 0.00 C ATOM 1030 O SER A 69 -3.643 4.196 -0.809 1.00 0.00 O ATOM 1031 CB SER A 69 -2.717 7.232 -1.913 1.00 0.00 C ATOM 1032 OG SER A 69 -3.005 8.314 -2.781 1.00 0.00 O ATOM 0 H SER A 69 -5.236 5.645 -1.637 1.00 0.00 H new ATOM 0 HA SER A 69 -2.972 5.762 -3.461 1.00 0.00 H new ATOM 0 HB2 SER A 69 -3.112 7.443 -0.919 1.00 0.00 H new ATOM 0 HB3 SER A 69 -1.638 7.122 -1.810 1.00 0.00 H new ATOM 0 HG SER A 69 -3.515 8.996 -2.296 1.00 0.00 H new ATOM 1038 N ARG A 70 -1.591 4.393 -1.710 1.00 0.00 N ATOM 1039 CA ARG A 70 -1.028 3.288 -0.943 1.00 0.00 C ATOM 1040 C ARG A 70 0.476 3.464 -0.759 1.00 0.00 C ATOM 1041 O ARG A 70 1.091 4.330 -1.381 1.00 0.00 O ATOM 1042 CB ARG A 70 -1.316 1.957 -1.641 1.00 0.00 C ATOM 1043 CG ARG A 70 -0.553 1.775 -2.943 1.00 0.00 C ATOM 1044 CD ARG A 70 -0.341 0.303 -3.264 1.00 0.00 C ATOM 1045 NE ARG A 70 -1.554 -0.323 -3.784 1.00 0.00 N ATOM 1046 CZ ARG A 70 -1.765 -1.634 -3.776 1.00 0.00 C ATOM 1047 NH1 ARG A 70 -0.850 -2.453 -3.277 1.00 0.00 N ATOM 1048 NH2 ARG A 70 -2.894 -2.129 -4.268 1.00 0.00 N ATOM 0 H ARG A 70 -0.931 4.847 -2.341 1.00 0.00 H new ATOM 0 HA ARG A 70 -1.498 3.284 0.040 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -1.064 1.140 -0.965 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -2.385 1.886 -1.843 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -1.101 2.251 -3.756 1.00 0.00 H new ATOM 0 HG3 ARG A 70 0.413 2.276 -2.873 1.00 0.00 H new ATOM 0 HD2 ARG A 70 0.461 0.203 -3.996 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -0.019 -0.222 -2.364 1.00 0.00 H new ATOM 0 HE ARG A 70 -2.278 0.280 -4.175 1.00 0.00 H new ATOM 0 HH11 ARG A 70 0.019 -2.077 -2.898 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -1.015 -3.460 -3.272 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -3.601 -1.502 -4.653 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -3.055 -3.136 -4.261 1.00 0.00 H new ATOM 1062 N LEU A 71 1.063 2.637 0.099 1.00 0.00 N ATOM 1063 CA LEU A 71 2.495 2.701 0.366 1.00 0.00 C ATOM 1064 C LEU A 71 3.219 1.512 -0.259 1.00 0.00 C ATOM 1065 O LEU A 71 3.026 0.368 0.154 1.00 0.00 O ATOM 1066 CB LEU A 71 2.752 2.734 1.874 1.00 0.00 C ATOM 1067 CG LEU A 71 2.622 4.101 2.546 1.00 0.00 C ATOM 1068 CD1 LEU A 71 2.164 3.945 3.988 1.00 0.00 C ATOM 1069 CD2 LEU A 71 3.944 4.854 2.483 1.00 0.00 C ATOM 0 H LEU A 71 0.569 1.914 0.622 1.00 0.00 H new ATOM 0 HA LEU A 71 2.883 3.616 -0.082 1.00 0.00 H new ATOM 0 HB2 LEU A 71 2.057 2.047 2.356 1.00 0.00 H new ATOM 0 HB3 LEU A 71 3.757 2.354 2.060 1.00 0.00 H new ATOM 0 HG LEU A 71 1.871 4.679 2.008 1.00 0.00 H new ATOM 0 HD11 LEU A 71 2.077 4.928 4.451 1.00 0.00 H new ATOM 0 HD12 LEU A 71 1.195 3.447 4.010 1.00 0.00 H new ATOM 0 HD13 LEU A 71 2.891 3.348 4.538 1.00 0.00 H new ATOM 0 HD21 LEU A 71 3.833 5.825 2.966 1.00 0.00 H new ATOM 0 HD22 LEU A 71 4.715 4.279 2.996 1.00 0.00 H new ATOM 0 HD23 LEU A 71 4.232 4.998 1.441 1.00 0.00 H new ATOM 1081 N VAL A 72 4.054 1.792 -1.254 1.00 0.00 N ATOM 1082 CA VAL A 72 4.810 0.746 -1.933 1.00 0.00 C ATOM 1083 C VAL A 72 6.307 0.911 -1.700 1.00 0.00 C ATOM 1084 O VAL A 72 6.812 2.029 -1.605 1.00 0.00 O ATOM 1085 CB VAL A 72 4.535 0.749 -3.449 1.00 0.00 C ATOM 1086 CG1 VAL A 72 5.743 0.230 -4.213 1.00 0.00 C ATOM 1087 CG2 VAL A 72 3.298 -0.078 -3.767 1.00 0.00 C ATOM 0 H VAL A 72 4.224 2.733 -1.608 1.00 0.00 H new ATOM 0 HA VAL A 72 4.482 -0.205 -1.513 1.00 0.00 H new ATOM 0 HB VAL A 72 4.350 1.776 -3.765 1.00 0.00 H new ATOM 0 HG11 VAL A 72 5.529 0.240 -5.282 1.00 0.00 H new ATOM 0 HG12 VAL A 72 6.604 0.867 -4.009 1.00 0.00 H new ATOM 0 HG13 VAL A 72 5.963 -0.789 -3.896 1.00 0.00 H new ATOM 0 HG21 VAL A 72 3.118 -0.065 -4.842 1.00 0.00 H new ATOM 0 HG22 VAL A 72 3.452 -1.105 -3.437 1.00 0.00 H new ATOM 0 HG23 VAL A 72 2.436 0.343 -3.250 1.00 0.00 H new ATOM 1097 N MET A 73 7.014 -0.212 -1.609 1.00 0.00 N ATOM 1098 CA MET A 73 8.455 -0.191 -1.389 1.00 0.00 C ATOM 1099 C MET A 73 9.133 -1.344 -2.122 1.00 0.00 C ATOM 1100 O MET A 73 8.801 -2.510 -1.908 1.00 0.00 O ATOM 1101 CB MET A 73 8.765 -0.270 0.107 1.00 0.00 C ATOM 1102 CG MET A 73 10.252 -0.308 0.419 1.00 0.00 C ATOM 1103 SD MET A 73 11.134 1.128 -0.222 1.00 0.00 S ATOM 1104 CE MET A 73 12.819 0.524 -0.214 1.00 0.00 C ATOM 0 H MET A 73 6.612 -1.146 -1.684 1.00 0.00 H new ATOM 0 HA MET A 73 8.845 0.747 -1.784 1.00 0.00 H new ATOM 0 HB2 MET A 73 8.319 0.589 0.608 1.00 0.00 H new ATOM 0 HB3 MET A 73 8.293 -1.161 0.521 1.00 0.00 H new ATOM 0 HG2 MET A 73 10.391 -0.363 1.499 1.00 0.00 H new ATOM 0 HG3 MET A 73 10.685 -1.214 -0.005 1.00 0.00 H new ATOM 0 HE1 MET A 73 13.492 1.319 -0.535 1.00 0.00 H new ATOM 0 HE2 MET A 73 13.087 0.206 0.794 1.00 0.00 H new ATOM 0 HE3 MET A 73 12.906 -0.322 -0.896 1.00 0.00 H new ATOM 1114 N ARG A 74 10.086 -1.011 -2.987 1.00 0.00 N ATOM 1115 CA ARG A 74 10.809 -2.019 -3.753 1.00 0.00 C ATOM 1116 C ARG A 74 12.262 -2.108 -3.297 1.00 0.00 C ATOM 1117 O ARG A 74 12.945 -1.092 -3.158 1.00 0.00 O ATOM 1118 CB ARG A 74 10.751 -1.695 -5.247 1.00 0.00 C ATOM 1119 CG ARG A 74 9.336 -1.609 -5.796 1.00 0.00 C ATOM 1120 CD ARG A 74 9.329 -1.170 -7.252 1.00 0.00 C ATOM 1121 NE ARG A 74 8.108 -1.577 -7.942 1.00 0.00 N ATOM 1122 CZ ARG A 74 7.906 -2.800 -8.420 1.00 0.00 C ATOM 1123 NH1 ARG A 74 8.841 -3.730 -8.285 1.00 0.00 N ATOM 1124 NH2 ARG A 74 6.767 -3.093 -9.035 1.00 0.00 N ATOM 0 H ARG A 74 10.375 -0.051 -3.175 1.00 0.00 H new ATOM 0 HA ARG A 74 10.331 -2.983 -3.579 1.00 0.00 H new ATOM 0 HB2 ARG A 74 11.259 -0.747 -5.425 1.00 0.00 H new ATOM 0 HB3 ARG A 74 11.300 -2.459 -5.798 1.00 0.00 H new ATOM 0 HG2 ARG A 74 8.850 -2.580 -5.705 1.00 0.00 H new ATOM 0 HG3 ARG A 74 8.755 -0.905 -5.200 1.00 0.00 H new ATOM 0 HD2 ARG A 74 9.430 -0.086 -7.304 1.00 0.00 H new ATOM 0 HD3 ARG A 74 10.193 -1.596 -7.763 1.00 0.00 H new ATOM 0 HE ARG A 74 7.369 -0.884 -8.064 1.00 0.00 H new ATOM 0 HH11 ARG A 74 9.718 -3.507 -7.813 1.00 0.00 H new ATOM 0 HH12 ARG A 74 8.684 -4.668 -8.653 1.00 0.00 H new ATOM 0 HH21 ARG A 74 6.046 -2.379 -9.141 1.00 0.00 H new ATOM 0 HH22 ARG A 74 6.612 -4.032 -9.402 1.00 0.00 H new ATOM 1138 N THR A 75 12.731 -3.330 -3.066 1.00 0.00 N ATOM 1139 CA THR A 75 14.103 -3.552 -2.625 1.00 0.00 C ATOM 1140 C THR A 75 15.093 -3.280 -3.751 1.00 0.00 C ATOM 1141 O THR A 75 14.723 -3.264 -4.924 1.00 0.00 O ATOM 1142 CB THR A 75 14.303 -4.993 -2.118 1.00 0.00 C ATOM 1143 OG1 THR A 75 13.743 -5.923 -3.050 1.00 0.00 O ATOM 1144 CG2 THR A 75 13.655 -5.181 -0.754 1.00 0.00 C ATOM 0 H THR A 75 12.181 -4.182 -3.177 1.00 0.00 H new ATOM 0 HA THR A 75 14.289 -2.857 -1.806 1.00 0.00 H new ATOM 0 HB THR A 75 15.373 -5.176 -2.023 1.00 0.00 H new ATOM 0 HG1 THR A 75 12.791 -6.051 -2.853 1.00 0.00 H new ATOM 0 HG21 THR A 75 13.809 -6.206 -0.416 1.00 0.00 H new ATOM 0 HG22 THR A 75 14.105 -4.492 -0.039 1.00 0.00 H new ATOM 0 HG23 THR A 75 12.586 -4.980 -0.828 1.00 0.00 H new ATOM 1152 N GLN A 76 16.353 -3.067 -3.386 1.00 0.00 N ATOM 1153 CA GLN A 76 17.397 -2.795 -4.367 1.00 0.00 C ATOM 1154 C GLN A 76 18.053 -4.090 -4.837 1.00 0.00 C ATOM 1155 O GLN A 76 18.192 -5.041 -4.069 1.00 0.00 O ATOM 1156 CB GLN A 76 18.453 -1.860 -3.774 1.00 0.00 C ATOM 1157 CG GLN A 76 19.036 -2.357 -2.461 1.00 0.00 C ATOM 1158 CD GLN A 76 20.161 -1.476 -1.953 1.00 0.00 C ATOM 1159 OE1 GLN A 76 21.314 -1.626 -2.358 1.00 0.00 O ATOM 1160 NE2 GLN A 76 19.831 -0.551 -1.060 1.00 0.00 N ATOM 0 H GLN A 76 16.676 -3.078 -2.418 1.00 0.00 H new ATOM 0 HA GLN A 76 16.935 -2.310 -5.227 1.00 0.00 H new ATOM 0 HB2 GLN A 76 19.260 -1.733 -4.495 1.00 0.00 H new ATOM 0 HB3 GLN A 76 18.009 -0.877 -3.616 1.00 0.00 H new ATOM 0 HG2 GLN A 76 18.247 -2.401 -1.711 1.00 0.00 H new ATOM 0 HG3 GLN A 76 19.407 -3.373 -2.594 1.00 0.00 H new ATOM 0 HE21 GLN A 76 18.863 -0.462 -0.752 1.00 0.00 H new ATOM 0 HE22 GLN A 76 20.546 0.071 -0.682 1.00 0.00 H new ATOM 1169 N GLY A 77 18.455 -4.119 -6.103 1.00 0.00 N ATOM 1170 CA GLY A 77 19.091 -5.301 -6.654 1.00 0.00 C ATOM 1171 C GLY A 77 18.100 -6.410 -6.945 1.00 0.00 C ATOM 1172 O GLY A 77 17.997 -6.878 -8.078 1.00 0.00 O ATOM 0 H GLY A 77 18.352 -3.344 -6.758 1.00 0.00 H new ATOM 0 HA2 GLY A 77 19.613 -5.034 -7.573 1.00 0.00 H new ATOM 0 HA3 GLY A 77 19.843 -5.665 -5.954 1.00 0.00 H new ATOM 1176 N SER A 78 17.370 -6.834 -5.917 1.00 0.00 N ATOM 1177 CA SER A 78 16.386 -7.899 -6.067 1.00 0.00 C ATOM 1178 C SER A 78 15.066 -7.349 -6.599 1.00 0.00 C ATOM 1179 O SER A 78 14.269 -8.078 -7.192 1.00 0.00 O ATOM 1180 CB SER A 78 16.155 -8.601 -4.727 1.00 0.00 C ATOM 1181 OG SER A 78 17.372 -9.095 -4.195 1.00 0.00 O ATOM 0 H SER A 78 17.442 -6.456 -4.972 1.00 0.00 H new ATOM 0 HA SER A 78 16.775 -8.620 -6.786 1.00 0.00 H new ATOM 0 HB2 SER A 78 15.702 -7.905 -4.021 1.00 0.00 H new ATOM 0 HB3 SER A 78 15.452 -9.423 -4.860 1.00 0.00 H new ATOM 0 HG SER A 78 17.199 -9.538 -3.338 1.00 0.00 H new ATOM 1187 N LEU A 79 14.841 -6.058 -6.383 1.00 0.00 N ATOM 1188 CA LEU A 79 13.618 -5.407 -6.841 1.00 0.00 C ATOM 1189 C LEU A 79 12.395 -6.262 -6.524 1.00 0.00 C ATOM 1190 O LEU A 79 11.584 -6.554 -7.402 1.00 0.00 O ATOM 1191 CB LEU A 79 13.691 -5.140 -8.345 1.00 0.00 C ATOM 1192 CG LEU A 79 14.360 -3.830 -8.762 1.00 0.00 C ATOM 1193 CD1 LEU A 79 13.694 -2.648 -8.075 1.00 0.00 C ATOM 1194 CD2 LEU A 79 15.847 -3.865 -8.444 1.00 0.00 C ATOM 0 H LEU A 79 15.489 -5.441 -5.894 1.00 0.00 H new ATOM 0 HA LEU A 79 13.522 -4.458 -6.314 1.00 0.00 H new ATOM 0 HB2 LEU A 79 14.228 -5.964 -8.815 1.00 0.00 H new ATOM 0 HB3 LEU A 79 12.677 -5.151 -8.745 1.00 0.00 H new ATOM 0 HG LEU A 79 14.242 -3.712 -9.839 1.00 0.00 H new ATOM 0 HD11 LEU A 79 14.184 -1.724 -8.384 1.00 0.00 H new ATOM 0 HD12 LEU A 79 12.641 -2.611 -8.354 1.00 0.00 H new ATOM 0 HD13 LEU A 79 13.780 -2.760 -6.994 1.00 0.00 H new ATOM 0 HD21 LEU A 79 16.306 -2.924 -8.748 1.00 0.00 H new ATOM 0 HD22 LEU A 79 15.987 -4.008 -7.372 1.00 0.00 H new ATOM 0 HD23 LEU A 79 16.315 -4.688 -8.984 1.00 0.00 H new ATOM 1206 N ARG A 80 12.268 -6.658 -5.261 1.00 0.00 N ATOM 1207 CA ARG A 80 11.144 -7.479 -4.827 1.00 0.00 C ATOM 1208 C ARG A 80 10.277 -6.727 -3.823 1.00 0.00 C ATOM 1209 O ARG A 80 10.770 -6.237 -2.805 1.00 0.00 O ATOM 1210 CB ARG A 80 11.646 -8.784 -4.207 1.00 0.00 C ATOM 1211 CG ARG A 80 10.702 -9.368 -3.170 1.00 0.00 C ATOM 1212 CD ARG A 80 9.329 -9.648 -3.761 1.00 0.00 C ATOM 1213 NE ARG A 80 9.207 -11.025 -4.234 1.00 0.00 N ATOM 1214 CZ ARG A 80 9.578 -11.420 -5.446 1.00 0.00 C ATOM 1215 NH1 ARG A 80 10.092 -10.550 -6.304 1.00 0.00 N ATOM 1216 NH2 ARG A 80 9.436 -12.690 -5.804 1.00 0.00 N ATOM 0 H ARG A 80 12.930 -6.423 -4.521 1.00 0.00 H new ATOM 0 HA ARG A 80 10.538 -7.711 -5.703 1.00 0.00 H new ATOM 0 HB2 ARG A 80 11.800 -9.517 -4.999 1.00 0.00 H new ATOM 0 HB3 ARG A 80 12.616 -8.606 -3.743 1.00 0.00 H new ATOM 0 HG2 ARG A 80 11.123 -10.291 -2.772 1.00 0.00 H new ATOM 0 HG3 ARG A 80 10.605 -8.676 -2.334 1.00 0.00 H new ATOM 0 HD2 ARG A 80 8.564 -9.454 -3.009 1.00 0.00 H new ATOM 0 HD3 ARG A 80 9.144 -8.963 -4.588 1.00 0.00 H new ATOM 0 HE ARG A 80 8.816 -11.720 -3.599 1.00 0.00 H new ATOM 0 HH11 ARG A 80 10.204 -9.573 -6.034 1.00 0.00 H new ATOM 0 HH12 ARG A 80 10.376 -10.858 -7.234 1.00 0.00 H new ATOM 0 HH21 ARG A 80 9.041 -13.364 -5.148 1.00 0.00 H new ATOM 0 HH22 ARG A 80 9.721 -12.992 -6.735 1.00 0.00 H new ATOM 1230 N LEU A 81 8.984 -6.638 -4.114 1.00 0.00 N ATOM 1231 CA LEU A 81 8.048 -5.944 -3.236 1.00 0.00 C ATOM 1232 C LEU A 81 8.004 -6.600 -1.860 1.00 0.00 C ATOM 1233 O LEU A 81 7.914 -7.823 -1.748 1.00 0.00 O ATOM 1234 CB LEU A 81 6.649 -5.934 -3.855 1.00 0.00 C ATOM 1235 CG LEU A 81 5.742 -4.774 -3.447 1.00 0.00 C ATOM 1236 CD1 LEU A 81 5.688 -4.646 -1.933 1.00 0.00 C ATOM 1237 CD2 LEU A 81 6.222 -3.475 -4.076 1.00 0.00 C ATOM 0 H LEU A 81 8.560 -7.038 -4.951 1.00 0.00 H new ATOM 0 HA LEU A 81 8.393 -4.917 -3.117 1.00 0.00 H new ATOM 0 HB2 LEU A 81 6.754 -5.922 -4.940 1.00 0.00 H new ATOM 0 HB3 LEU A 81 6.151 -6.868 -3.593 1.00 0.00 H new ATOM 0 HG LEU A 81 4.735 -4.980 -3.810 1.00 0.00 H new ATOM 0 HD11 LEU A 81 5.037 -3.815 -1.661 1.00 0.00 H new ATOM 0 HD12 LEU A 81 5.297 -5.568 -1.504 1.00 0.00 H new ATOM 0 HD13 LEU A 81 6.691 -4.463 -1.547 1.00 0.00 H new ATOM 0 HD21 LEU A 81 5.564 -2.660 -3.774 1.00 0.00 H new ATOM 0 HD22 LEU A 81 7.238 -3.263 -3.743 1.00 0.00 H new ATOM 0 HD23 LEU A 81 6.208 -3.570 -5.162 1.00 0.00 H new ATOM 1249 N ILE A 82 8.064 -5.779 -0.817 1.00 0.00 N ATOM 1250 CA ILE A 82 8.027 -6.280 0.551 1.00 0.00 C ATOM 1251 C ILE A 82 6.951 -5.571 1.368 1.00 0.00 C ATOM 1252 O ILE A 82 6.407 -6.133 2.319 1.00 0.00 O ATOM 1253 CB ILE A 82 9.388 -6.103 1.252 1.00 0.00 C ATOM 1254 CG1 ILE A 82 9.634 -4.626 1.568 1.00 0.00 C ATOM 1255 CG2 ILE A 82 10.507 -6.660 0.386 1.00 0.00 C ATOM 1256 CD1 ILE A 82 9.956 -3.794 0.346 1.00 0.00 C ATOM 0 H ILE A 82 8.138 -4.765 -0.893 1.00 0.00 H new ATOM 0 HA ILE A 82 7.793 -7.343 0.492 1.00 0.00 H new ATOM 0 HB ILE A 82 9.373 -6.658 2.190 1.00 0.00 H new ATOM 0 HG12 ILE A 82 8.750 -4.215 2.056 1.00 0.00 H new ATOM 0 HG13 ILE A 82 10.456 -4.547 2.279 1.00 0.00 H new ATOM 0 HG21 ILE A 82 11.462 -6.527 0.895 1.00 0.00 H new ATOM 0 HG22 ILE A 82 10.335 -7.722 0.208 1.00 0.00 H new ATOM 0 HG23 ILE A 82 10.527 -6.131 -0.567 1.00 0.00 H new ATOM 0 HD11 ILE A 82 10.119 -2.758 0.644 1.00 0.00 H new ATOM 0 HD12 ILE A 82 10.857 -4.180 -0.130 1.00 0.00 H new ATOM 0 HD13 ILE A 82 9.125 -3.843 -0.357 1.00 0.00 H new ATOM 1268 N LEU A 83 6.647 -4.336 0.987 1.00 0.00 N ATOM 1269 CA LEU A 83 5.633 -3.550 1.683 1.00 0.00 C ATOM 1270 C LEU A 83 4.575 -3.040 0.708 1.00 0.00 C ATOM 1271 O LEU A 83 4.900 -2.506 -0.351 1.00 0.00 O ATOM 1272 CB LEU A 83 6.283 -2.371 2.409 1.00 0.00 C ATOM 1273 CG LEU A 83 5.412 -1.127 2.586 1.00 0.00 C ATOM 1274 CD1 LEU A 83 4.283 -1.401 3.568 1.00 0.00 C ATOM 1275 CD2 LEU A 83 6.252 0.052 3.051 1.00 0.00 C ATOM 0 H LEU A 83 7.087 -3.857 0.201 1.00 0.00 H new ATOM 0 HA LEU A 83 5.147 -4.196 2.414 1.00 0.00 H new ATOM 0 HB2 LEU A 83 6.603 -2.709 3.395 1.00 0.00 H new ATOM 0 HB3 LEU A 83 7.182 -2.085 1.863 1.00 0.00 H new ATOM 0 HG LEU A 83 4.973 -0.875 1.621 1.00 0.00 H new ATOM 0 HD11 LEU A 83 3.674 -0.504 3.681 1.00 0.00 H new ATOM 0 HD12 LEU A 83 3.664 -2.215 3.192 1.00 0.00 H new ATOM 0 HD13 LEU A 83 4.702 -1.680 4.535 1.00 0.00 H new ATOM 0 HD21 LEU A 83 5.615 0.928 3.171 1.00 0.00 H new ATOM 0 HD22 LEU A 83 6.721 -0.189 4.005 1.00 0.00 H new ATOM 0 HD23 LEU A 83 7.023 0.264 2.311 1.00 0.00 H new ATOM 1287 N ASN A 84 3.310 -3.209 1.075 1.00 0.00 N ATOM 1288 CA ASN A 84 2.204 -2.765 0.234 1.00 0.00 C ATOM 1289 C ASN A 84 0.909 -2.683 1.036 1.00 0.00 C ATOM 1290 O ASN A 84 0.312 -3.705 1.378 1.00 0.00 O ATOM 1291 CB ASN A 84 2.025 -3.715 -0.952 1.00 0.00 C ATOM 1292 CG ASN A 84 2.407 -5.143 -0.611 1.00 0.00 C ATOM 1293 OD1 ASN A 84 2.097 -5.639 0.473 1.00 0.00 O ATOM 1294 ND2 ASN A 84 3.084 -5.811 -1.537 1.00 0.00 N ATOM 0 H ASN A 84 3.024 -3.650 1.949 1.00 0.00 H new ATOM 0 HA ASN A 84 2.441 -1.769 -0.140 1.00 0.00 H new ATOM 0 HB2 ASN A 84 0.986 -3.688 -1.282 1.00 0.00 H new ATOM 0 HB3 ASN A 84 2.634 -3.368 -1.787 1.00 0.00 H new ATOM 0 HD21 ASN A 84 3.369 -6.775 -1.364 1.00 0.00 H new ATOM 0 HD22 ASN A 84 3.319 -5.360 -2.421 1.00 0.00 H new ATOM 1301 N THR A 85 0.479 -1.461 1.333 1.00 0.00 N ATOM 1302 CA THR A 85 -0.744 -1.245 2.095 1.00 0.00 C ATOM 1303 C THR A 85 -1.476 0.004 1.617 1.00 0.00 C ATOM 1304 O THR A 85 -0.853 0.982 1.205 1.00 0.00 O ATOM 1305 CB THR A 85 -0.452 -1.110 3.601 1.00 0.00 C ATOM 1306 OG1 THR A 85 -1.672 -1.186 4.346 1.00 0.00 O ATOM 1307 CG2 THR A 85 0.249 0.207 3.900 1.00 0.00 C ATOM 0 H THR A 85 0.960 -0.605 1.057 1.00 0.00 H new ATOM 0 HA THR A 85 -1.376 -2.118 1.932 1.00 0.00 H new ATOM 0 HB THR A 85 0.204 -1.929 3.896 1.00 0.00 H new ATOM 0 HG1 THR A 85 -1.477 -1.101 5.303 1.00 0.00 H new ATOM 0 HG21 THR A 85 0.445 0.280 4.970 1.00 0.00 H new ATOM 0 HG22 THR A 85 1.192 0.249 3.355 1.00 0.00 H new ATOM 0 HG23 THR A 85 -0.387 1.036 3.590 1.00 0.00 H new ATOM 1315 N LYS A 86 -2.803 -0.035 1.675 1.00 0.00 N ATOM 1316 CA LYS A 86 -3.622 1.094 1.250 1.00 0.00 C ATOM 1317 C LYS A 86 -3.861 2.059 2.407 1.00 0.00 C ATOM 1318 O LYS A 86 -4.455 1.692 3.422 1.00 0.00 O ATOM 1319 CB LYS A 86 -4.962 0.601 0.699 1.00 0.00 C ATOM 1320 CG LYS A 86 -5.890 1.721 0.262 1.00 0.00 C ATOM 1321 CD LYS A 86 -7.334 1.256 0.201 1.00 0.00 C ATOM 1322 CE LYS A 86 -8.035 1.433 1.538 1.00 0.00 C ATOM 1323 NZ LYS A 86 -9.481 1.084 1.458 1.00 0.00 N ATOM 0 H LYS A 86 -3.335 -0.837 2.013 1.00 0.00 H new ATOM 0 HA LYS A 86 -3.085 1.623 0.463 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -4.776 -0.057 -0.150 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -5.461 0.004 1.462 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -5.805 2.557 0.956 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -5.583 2.088 -0.718 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -7.866 1.818 -0.567 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -7.367 0.207 -0.092 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -7.551 0.806 2.287 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -7.929 2.466 1.870 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -9.923 1.218 2.390 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -9.949 1.699 0.762 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -9.583 0.091 1.166 1.00 0.00 H new ATOM 1337 N LEU A 87 -3.394 3.293 2.248 1.00 0.00 N ATOM 1338 CA LEU A 87 -3.559 4.311 3.280 1.00 0.00 C ATOM 1339 C LEU A 87 -5.032 4.502 3.627 1.00 0.00 C ATOM 1340 O LEU A 87 -5.906 4.345 2.774 1.00 0.00 O ATOM 1341 CB LEU A 87 -2.956 5.638 2.814 1.00 0.00 C ATOM 1342 CG LEU A 87 -1.461 5.622 2.497 1.00 0.00 C ATOM 1343 CD1 LEU A 87 -1.137 6.628 1.403 1.00 0.00 C ATOM 1344 CD2 LEU A 87 -0.648 5.915 3.749 1.00 0.00 C ATOM 0 H LEU A 87 -2.899 3.612 1.415 1.00 0.00 H new ATOM 0 HA LEU A 87 -3.036 3.975 4.175 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -3.492 5.965 1.923 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -3.135 6.386 3.586 1.00 0.00 H new ATOM 0 HG LEU A 87 -1.195 4.627 2.139 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -0.068 6.603 1.190 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -1.693 6.375 0.500 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -1.418 7.628 1.734 1.00 0.00 H new ATOM 0 HD21 LEU A 87 0.414 5.900 3.505 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -0.917 6.898 4.136 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -0.858 5.158 4.504 1.00 0.00 H new ATOM 1356 N TRP A 88 -5.298 4.842 4.883 1.00 0.00 N ATOM 1357 CA TRP A 88 -6.666 5.056 5.342 1.00 0.00 C ATOM 1358 C TRP A 88 -6.790 6.383 6.082 1.00 0.00 C ATOM 1359 O TRP A 88 -5.791 6.966 6.503 1.00 0.00 O ATOM 1360 CB TRP A 88 -7.105 3.908 6.252 1.00 0.00 C ATOM 1361 CG TRP A 88 -6.224 3.729 7.452 1.00 0.00 C ATOM 1362 CD1 TRP A 88 -6.435 4.229 8.705 1.00 0.00 C ATOM 1363 CD2 TRP A 88 -4.993 3.002 7.508 1.00 0.00 C ATOM 1364 NE1 TRP A 88 -5.408 3.855 9.538 1.00 0.00 N ATOM 1365 CE2 TRP A 88 -4.510 3.101 8.828 1.00 0.00 C ATOM 1366 CE3 TRP A 88 -4.250 2.274 6.574 1.00 0.00 C ATOM 1367 CZ2 TRP A 88 -3.322 2.501 9.233 1.00 0.00 C ATOM 1368 CZ3 TRP A 88 -3.070 1.681 6.977 1.00 0.00 C ATOM 1369 CH2 TRP A 88 -2.616 1.796 8.297 1.00 0.00 C ATOM 0 H TRP A 88 -4.586 4.975 5.601 1.00 0.00 H new ATOM 0 HA TRP A 88 -7.316 5.087 4.468 1.00 0.00 H new ATOM 0 HB2 TRP A 88 -8.127 4.088 6.585 1.00 0.00 H new ATOM 0 HB3 TRP A 88 -7.116 2.982 5.677 1.00 0.00 H new ATOM 0 HD1 TRP A 88 -7.283 4.830 8.998 1.00 0.00 H new ATOM 0 HE1 TRP A 88 -5.327 4.099 10.525 1.00 0.00 H new ATOM 0 HE3 TRP A 88 -4.593 2.177 5.555 1.00 0.00 H new ATOM 0 HZ2 TRP A 88 -2.970 2.589 10.250 1.00 0.00 H new ATOM 0 HZ3 TRP A 88 -2.487 1.119 6.262 1.00 0.00 H new ATOM 0 HH2 TRP A 88 -1.690 1.319 8.582 1.00 0.00 H new ATOM 1380 N ALA A 89 -8.022 6.857 6.237 1.00 0.00 N ATOM 1381 CA ALA A 89 -8.276 8.114 6.929 1.00 0.00 C ATOM 1382 C ALA A 89 -7.681 8.099 8.332 1.00 0.00 C ATOM 1383 O ALA A 89 -7.030 9.057 8.751 1.00 0.00 O ATOM 1384 CB ALA A 89 -9.771 8.391 6.991 1.00 0.00 C ATOM 0 H ALA A 89 -8.860 6.389 5.892 1.00 0.00 H new ATOM 0 HA ALA A 89 -7.793 8.913 6.366 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -9.945 9.333 7.511 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -10.171 8.455 5.979 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -10.269 7.583 7.528 1.00 0.00 H new ATOM 1390 N GLN A 90 -7.908 7.007 9.055 1.00 0.00 N ATOM 1391 CA GLN A 90 -7.395 6.869 10.413 1.00 0.00 C ATOM 1392 C GLN A 90 -5.943 6.402 10.402 1.00 0.00 C ATOM 1393 O GLN A 90 -5.504 5.689 11.303 1.00 0.00 O ATOM 1394 CB GLN A 90 -8.254 5.885 11.208 1.00 0.00 C ATOM 1395 CG GLN A 90 -9.726 6.259 11.250 1.00 0.00 C ATOM 1396 CD GLN A 90 -9.991 7.496 12.086 1.00 0.00 C ATOM 1397 OE1 GLN A 90 -9.941 7.451 13.315 1.00 0.00 O ATOM 1398 NE2 GLN A 90 -10.273 8.610 11.420 1.00 0.00 N ATOM 0 H GLN A 90 -8.444 6.205 8.723 1.00 0.00 H new ATOM 0 HA GLN A 90 -7.439 7.847 10.892 1.00 0.00 H new ATOM 0 HB2 GLN A 90 -8.152 4.892 10.771 1.00 0.00 H new ATOM 0 HB3 GLN A 90 -7.874 5.825 12.228 1.00 0.00 H new ATOM 0 HG2 GLN A 90 -10.083 6.429 10.234 1.00 0.00 H new ATOM 0 HG3 GLN A 90 -10.298 5.423 11.653 1.00 0.00 H new ATOM 0 HE21 GLN A 90 -10.304 8.601 10.400 1.00 0.00 H new ATOM 0 HE22 GLN A 90 -10.459 9.475 11.928 1.00 0.00 H new ATOM 1407 N MET A 91 -5.204 6.808 9.375 1.00 0.00 N ATOM 1408 CA MET A 91 -3.801 6.431 9.246 1.00 0.00 C ATOM 1409 C MET A 91 -2.942 7.183 10.258 1.00 0.00 C ATOM 1410 O MET A 91 -3.203 8.347 10.562 1.00 0.00 O ATOM 1411 CB MET A 91 -3.303 6.713 7.827 1.00 0.00 C ATOM 1412 CG MET A 91 -1.788 6.733 7.708 1.00 0.00 C ATOM 1413 SD MET A 91 -1.037 5.147 8.124 1.00 0.00 S ATOM 1414 CE MET A 91 -0.348 4.673 6.540 1.00 0.00 C ATOM 0 H MET A 91 -5.553 7.398 8.620 1.00 0.00 H new ATOM 0 HA MET A 91 -3.717 5.363 9.446 1.00 0.00 H new ATOM 0 HB2 MET A 91 -3.702 5.955 7.153 1.00 0.00 H new ATOM 0 HB3 MET A 91 -3.698 7.674 7.496 1.00 0.00 H new ATOM 0 HG2 MET A 91 -1.511 7.006 6.690 1.00 0.00 H new ATOM 0 HG3 MET A 91 -1.386 7.504 8.365 1.00 0.00 H new ATOM 0 HE1 MET A 91 0.430 3.925 6.691 1.00 0.00 H new ATOM 0 HE2 MET A 91 -1.135 4.257 5.911 1.00 0.00 H new ATOM 0 HE3 MET A 91 0.081 5.549 6.053 1.00 0.00 H new ATOM 1424 N GLN A 92 -1.918 6.510 10.773 1.00 0.00 N ATOM 1425 CA GLN A 92 -1.022 7.116 11.752 1.00 0.00 C ATOM 1426 C GLN A 92 0.336 7.423 11.129 1.00 0.00 C ATOM 1427 O GLN A 92 1.103 6.513 10.810 1.00 0.00 O ATOM 1428 CB GLN A 92 -0.847 6.189 12.956 1.00 0.00 C ATOM 1429 CG GLN A 92 -2.078 6.102 13.842 1.00 0.00 C ATOM 1430 CD GLN A 92 -1.760 5.596 15.236 1.00 0.00 C ATOM 1431 OE1 GLN A 92 -1.434 6.375 16.131 1.00 0.00 O ATOM 1432 NE2 GLN A 92 -1.856 4.286 15.426 1.00 0.00 N ATOM 0 H GLN A 92 -1.688 5.547 10.529 1.00 0.00 H new ATOM 0 HA GLN A 92 -1.468 8.053 12.086 1.00 0.00 H new ATOM 0 HB2 GLN A 92 -0.594 5.190 12.601 1.00 0.00 H new ATOM 0 HB3 GLN A 92 -0.004 6.538 13.553 1.00 0.00 H new ATOM 0 HG2 GLN A 92 -2.540 7.087 13.914 1.00 0.00 H new ATOM 0 HG3 GLN A 92 -2.809 5.440 13.378 1.00 0.00 H new ATOM 0 HE21 GLN A 92 -2.130 3.678 14.655 1.00 0.00 H new ATOM 0 HE22 GLN A 92 -1.656 3.888 16.343 1.00 0.00 H new ATOM 1441 N ILE A 93 0.626 8.708 10.959 1.00 0.00 N ATOM 1442 CA ILE A 93 1.891 9.135 10.374 1.00 0.00 C ATOM 1443 C ILE A 93 2.378 10.434 11.006 1.00 0.00 C ATOM 1444 O ILE A 93 1.678 11.447 10.983 1.00 0.00 O ATOM 1445 CB ILE A 93 1.772 9.329 8.851 1.00 0.00 C ATOM 1446 CG1 ILE A 93 2.940 10.167 8.329 1.00 0.00 C ATOM 1447 CG2 ILE A 93 0.444 9.988 8.505 1.00 0.00 C ATOM 1448 CD1 ILE A 93 2.945 10.325 6.824 1.00 0.00 C ATOM 0 H ILE A 93 0.002 9.472 11.218 1.00 0.00 H new ATOM 0 HA ILE A 93 2.614 8.344 10.574 1.00 0.00 H new ATOM 0 HB ILE A 93 1.808 8.351 8.370 1.00 0.00 H new ATOM 0 HG12 ILE A 93 2.903 11.154 8.790 1.00 0.00 H new ATOM 0 HG13 ILE A 93 3.876 9.705 8.641 1.00 0.00 H new ATOM 0 HG21 ILE A 93 0.373 10.119 7.425 1.00 0.00 H new ATOM 0 HG22 ILE A 93 -0.376 9.357 8.848 1.00 0.00 H new ATOM 0 HG23 ILE A 93 0.382 10.961 8.993 1.00 0.00 H new ATOM 0 HD11 ILE A 93 3.801 10.930 6.525 1.00 0.00 H new ATOM 0 HD12 ILE A 93 3.013 9.343 6.355 1.00 0.00 H new ATOM 0 HD13 ILE A 93 2.025 10.815 6.507 1.00 0.00 H new ATOM 1460 N ASP A 94 3.582 10.400 11.566 1.00 0.00 N ATOM 1461 CA ASP A 94 4.164 11.575 12.201 1.00 0.00 C ATOM 1462 C ASP A 94 5.641 11.710 11.845 1.00 0.00 C ATOM 1463 O ASP A 94 6.366 10.718 11.768 1.00 0.00 O ATOM 1464 CB ASP A 94 3.997 11.497 13.719 1.00 0.00 C ATOM 1465 CG ASP A 94 2.583 11.139 14.129 1.00 0.00 C ATOM 1466 OD1 ASP A 94 1.766 12.066 14.314 1.00 0.00 O ATOM 1467 OD2 ASP A 94 2.292 9.932 14.265 1.00 0.00 O ATOM 0 H ASP A 94 4.174 9.570 11.593 1.00 0.00 H new ATOM 0 HA ASP A 94 3.638 12.455 11.831 1.00 0.00 H new ATOM 0 HB2 ASP A 94 4.687 10.754 14.120 1.00 0.00 H new ATOM 0 HB3 ASP A 94 4.268 12.456 14.161 1.00 0.00 H new ATOM 1472 N LYS A 95 6.083 12.944 11.627 1.00 0.00 N ATOM 1473 CA LYS A 95 7.473 13.210 11.279 1.00 0.00 C ATOM 1474 C LYS A 95 8.358 13.193 12.521 1.00 0.00 C ATOM 1475 O LYS A 95 8.460 14.189 13.236 1.00 0.00 O ATOM 1476 CB LYS A 95 7.595 14.562 10.573 1.00 0.00 C ATOM 1477 CG LYS A 95 8.984 14.842 10.028 1.00 0.00 C ATOM 1478 CD LYS A 95 9.137 14.331 8.604 1.00 0.00 C ATOM 1479 CE LYS A 95 10.128 15.171 7.813 1.00 0.00 C ATOM 1480 NZ LYS A 95 9.617 16.548 7.572 1.00 0.00 N ATOM 0 H LYS A 95 5.497 13.777 11.685 1.00 0.00 H new ATOM 0 HA LYS A 95 7.808 12.423 10.604 1.00 0.00 H new ATOM 0 HB2 LYS A 95 6.878 14.600 9.753 1.00 0.00 H new ATOM 0 HB3 LYS A 95 7.322 15.353 11.272 1.00 0.00 H new ATOM 0 HG2 LYS A 95 9.177 15.915 10.054 1.00 0.00 H new ATOM 0 HG3 LYS A 95 9.729 14.369 10.668 1.00 0.00 H new ATOM 0 HD2 LYS A 95 9.471 13.294 8.623 1.00 0.00 H new ATOM 0 HD3 LYS A 95 8.168 14.345 8.105 1.00 0.00 H new ATOM 0 HE2 LYS A 95 11.073 15.223 8.354 1.00 0.00 H new ATOM 0 HE3 LYS A 95 10.334 14.687 6.858 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 10.093 16.955 6.742 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 8.592 16.513 7.400 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 9.808 17.140 8.405 1.00 0.00 H new ATOM 1494 N ALA A 96 8.996 12.054 12.772 1.00 0.00 N ATOM 1495 CA ALA A 96 9.874 11.909 13.927 1.00 0.00 C ATOM 1496 C ALA A 96 11.130 12.758 13.770 1.00 0.00 C ATOM 1497 O ALA A 96 11.572 13.410 14.717 1.00 0.00 O ATOM 1498 CB ALA A 96 10.246 10.446 14.126 1.00 0.00 C ATOM 0 H ALA A 96 8.921 11.219 12.191 1.00 0.00 H new ATOM 0 HA ALA A 96 9.337 12.260 14.808 1.00 0.00 H new ATOM 0 HB1 ALA A 96 10.902 10.352 14.992 1.00 0.00 H new ATOM 0 HB2 ALA A 96 9.342 9.860 14.290 1.00 0.00 H new ATOM 0 HB3 ALA A 96 10.761 10.078 13.239 1.00 0.00 H new ATOM 1504 N SER A 97 11.703 12.746 12.571 1.00 0.00 N ATOM 1505 CA SER A 97 12.912 13.512 12.292 1.00 0.00 C ATOM 1506 C SER A 97 12.925 14.000 10.847 1.00 0.00 C ATOM 1507 O SER A 97 12.153 13.527 10.014 1.00 0.00 O ATOM 1508 CB SER A 97 14.154 12.663 12.567 1.00 0.00 C ATOM 1509 OG SER A 97 15.313 13.472 12.666 1.00 0.00 O ATOM 0 H SER A 97 11.349 12.214 11.776 1.00 0.00 H new ATOM 0 HA SER A 97 12.922 14.381 12.950 1.00 0.00 H new ATOM 0 HB2 SER A 97 14.018 12.103 13.492 1.00 0.00 H new ATOM 0 HB3 SER A 97 14.283 11.933 11.768 1.00 0.00 H new ATOM 0 HG SER A 97 16.093 12.906 12.844 1.00 0.00 H new ATOM 1515 N GLU A 98 13.809 14.950 10.558 1.00 0.00 N ATOM 1516 CA GLU A 98 13.922 15.503 9.213 1.00 0.00 C ATOM 1517 C GLU A 98 14.447 14.456 8.237 1.00 0.00 C ATOM 1518 O GLU A 98 14.284 14.584 7.023 1.00 0.00 O ATOM 1519 CB GLU A 98 14.847 16.723 9.216 1.00 0.00 C ATOM 1520 CG GLU A 98 16.323 16.367 9.259 1.00 0.00 C ATOM 1521 CD GLU A 98 16.879 16.355 10.670 1.00 0.00 C ATOM 1522 OE1 GLU A 98 17.152 17.446 11.210 1.00 0.00 O ATOM 1523 OE2 GLU A 98 17.041 15.252 11.234 1.00 0.00 O ATOM 0 H GLU A 98 14.456 15.352 11.236 1.00 0.00 H new ATOM 0 HA GLU A 98 12.928 15.810 8.889 1.00 0.00 H new ATOM 0 HB2 GLU A 98 14.651 17.319 8.325 1.00 0.00 H new ATOM 0 HB3 GLU A 98 14.607 17.348 10.076 1.00 0.00 H new ATOM 0 HG2 GLU A 98 16.470 15.386 8.806 1.00 0.00 H new ATOM 0 HG3 GLU A 98 16.883 17.083 8.658 1.00 0.00 H new ATOM 1530 N LYS A 99 15.080 13.418 8.775 1.00 0.00 N ATOM 1531 CA LYS A 99 15.629 12.347 7.953 1.00 0.00 C ATOM 1532 C LYS A 99 15.002 11.005 8.318 1.00 0.00 C ATOM 1533 O LYS A 99 15.510 9.948 7.942 1.00 0.00 O ATOM 1534 CB LYS A 99 17.149 12.274 8.123 1.00 0.00 C ATOM 1535 CG LYS A 99 17.912 13.153 7.146 1.00 0.00 C ATOM 1536 CD LYS A 99 19.350 13.361 7.591 1.00 0.00 C ATOM 1537 CE LYS A 99 20.211 13.896 6.458 1.00 0.00 C ATOM 1538 NZ LYS A 99 20.046 15.366 6.280 1.00 0.00 N ATOM 0 H LYS A 99 15.225 13.297 9.777 1.00 0.00 H new ATOM 0 HA LYS A 99 15.395 12.566 6.911 1.00 0.00 H new ATOM 0 HB2 LYS A 99 17.407 12.567 9.141 1.00 0.00 H new ATOM 0 HB3 LYS A 99 17.471 11.240 7.997 1.00 0.00 H new ATOM 0 HG2 LYS A 99 17.899 12.696 6.157 1.00 0.00 H new ATOM 0 HG3 LYS A 99 17.414 14.119 7.058 1.00 0.00 H new ATOM 0 HD2 LYS A 99 19.376 14.057 8.429 1.00 0.00 H new ATOM 0 HD3 LYS A 99 19.762 12.417 7.948 1.00 0.00 H new ATOM 0 HE2 LYS A 99 21.258 13.670 6.660 1.00 0.00 H new ATOM 0 HE3 LYS A 99 19.948 13.386 5.531 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 20.130 15.605 5.271 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 19.109 15.655 6.627 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 20.783 15.866 6.817 1.00 0.00 H new ATOM 1552 N SER A 100 13.894 11.054 9.052 1.00 0.00 N ATOM 1553 CA SER A 100 13.199 9.842 9.469 1.00 0.00 C ATOM 1554 C SER A 100 11.697 10.087 9.575 1.00 0.00 C ATOM 1555 O SER A 100 11.259 11.187 9.912 1.00 0.00 O ATOM 1556 CB SER A 100 13.744 9.354 10.812 1.00 0.00 C ATOM 1557 OG SER A 100 13.062 9.967 11.893 1.00 0.00 O ATOM 0 H SER A 100 13.459 11.920 9.370 1.00 0.00 H new ATOM 0 HA SER A 100 13.372 9.075 8.714 1.00 0.00 H new ATOM 0 HB2 SER A 100 13.639 8.271 10.879 1.00 0.00 H new ATOM 0 HB3 SER A 100 14.809 9.575 10.878 1.00 0.00 H new ATOM 0 HG SER A 100 13.428 9.637 12.740 1.00 0.00 H new ATOM 1563 N ILE A 101 10.913 9.053 9.285 1.00 0.00 N ATOM 1564 CA ILE A 101 9.461 9.155 9.349 1.00 0.00 C ATOM 1565 C ILE A 101 8.847 7.893 9.945 1.00 0.00 C ATOM 1566 O ILE A 101 9.352 6.789 9.743 1.00 0.00 O ATOM 1567 CB ILE A 101 8.853 9.400 7.955 1.00 0.00 C ATOM 1568 CG1 ILE A 101 9.730 10.362 7.153 1.00 0.00 C ATOM 1569 CG2 ILE A 101 7.438 9.945 8.083 1.00 0.00 C ATOM 1570 CD1 ILE A 101 9.375 10.421 5.683 1.00 0.00 C ATOM 0 H ILE A 101 11.260 8.136 9.004 1.00 0.00 H new ATOM 0 HA ILE A 101 9.232 10.005 9.991 1.00 0.00 H new ATOM 0 HB ILE A 101 8.809 8.450 7.422 1.00 0.00 H new ATOM 0 HG12 ILE A 101 9.643 11.361 7.580 1.00 0.00 H new ATOM 0 HG13 ILE A 101 10.773 10.061 7.255 1.00 0.00 H new ATOM 0 HG21 ILE A 101 7.022 10.113 7.090 1.00 0.00 H new ATOM 0 HG22 ILE A 101 6.818 9.226 8.619 1.00 0.00 H new ATOM 0 HG23 ILE A 101 7.459 10.887 8.632 1.00 0.00 H new ATOM 0 HD11 ILE A 101 10.038 11.123 5.177 1.00 0.00 H new ATOM 0 HD12 ILE A 101 9.489 9.431 5.241 1.00 0.00 H new ATOM 0 HD13 ILE A 101 8.342 10.752 5.571 1.00 0.00 H new ATOM 1582 N HIS A 102 7.754 8.065 10.680 1.00 0.00 N ATOM 1583 CA HIS A 102 7.068 6.939 11.306 1.00 0.00 C ATOM 1584 C HIS A 102 5.660 6.780 10.742 1.00 0.00 C ATOM 1585 O HIS A 102 4.785 7.611 10.986 1.00 0.00 O ATOM 1586 CB HIS A 102 7.005 7.130 12.821 1.00 0.00 C ATOM 1587 CG HIS A 102 8.314 6.895 13.509 1.00 0.00 C ATOM 1588 ND1 HIS A 102 8.433 6.159 14.670 1.00 0.00 N ATOM 1589 CD2 HIS A 102 9.565 7.303 13.195 1.00 0.00 C ATOM 1590 CE1 HIS A 102 9.701 6.126 15.039 1.00 0.00 C ATOM 1591 NE2 HIS A 102 10.409 6.812 14.160 1.00 0.00 N ATOM 0 H HIS A 102 7.324 8.973 10.857 1.00 0.00 H new ATOM 0 HA HIS A 102 7.633 6.033 11.086 1.00 0.00 H new ATOM 0 HB2 HIS A 102 6.667 8.143 13.037 1.00 0.00 H new ATOM 0 HB3 HIS A 102 6.260 6.450 13.234 1.00 0.00 H new ATOM 0 HD2 HIS A 102 9.847 7.904 12.343 1.00 0.00 H new ATOM 0 HE1 HIS A 102 10.092 5.623 15.911 1.00 0.00 H new ATOM 0 HE2 HIS A 102 11.419 6.954 14.193 1.00 0.00 H new ATOM 1599 N ILE A 103 5.448 5.707 9.985 1.00 0.00 N ATOM 1600 CA ILE A 103 4.145 5.441 9.388 1.00 0.00 C ATOM 1601 C ILE A 103 3.664 4.033 9.726 1.00 0.00 C ATOM 1602 O ILE A 103 4.464 3.105 9.856 1.00 0.00 O ATOM 1603 CB ILE A 103 4.184 5.604 7.857 1.00 0.00 C ATOM 1604 CG1 ILE A 103 4.822 4.374 7.206 1.00 0.00 C ATOM 1605 CG2 ILE A 103 4.946 6.865 7.478 1.00 0.00 C ATOM 1606 CD1 ILE A 103 3.827 3.287 6.868 1.00 0.00 C ATOM 0 H ILE A 103 6.161 5.010 9.771 1.00 0.00 H new ATOM 0 HA ILE A 103 3.451 6.170 9.805 1.00 0.00 H new ATOM 0 HB ILE A 103 3.162 5.696 7.491 1.00 0.00 H new ATOM 0 HG12 ILE A 103 5.337 4.680 6.295 1.00 0.00 H new ATOM 0 HG13 ILE A 103 5.578 3.968 7.878 1.00 0.00 H new ATOM 0 HG21 ILE A 103 4.965 6.966 6.393 1.00 0.00 H new ATOM 0 HG22 ILE A 103 4.453 7.733 7.915 1.00 0.00 H new ATOM 0 HG23 ILE A 103 5.967 6.800 7.854 1.00 0.00 H new ATOM 0 HD11 ILE A 103 4.348 2.446 6.410 1.00 0.00 H new ATOM 0 HD12 ILE A 103 3.330 2.953 7.779 1.00 0.00 H new ATOM 0 HD13 ILE A 103 3.085 3.677 6.171 1.00 0.00 H new ATOM 1618 N THR A 104 2.351 3.880 9.863 1.00 0.00 N ATOM 1619 CA THR A 104 1.761 2.586 10.184 1.00 0.00 C ATOM 1620 C THR A 104 1.231 1.898 8.933 1.00 0.00 C ATOM 1621 O THR A 104 0.361 2.429 8.242 1.00 0.00 O ATOM 1622 CB THR A 104 0.615 2.728 11.204 1.00 0.00 C ATOM 1623 OG1 THR A 104 -0.213 3.843 10.857 1.00 0.00 O ATOM 1624 CG2 THR A 104 1.163 2.914 12.610 1.00 0.00 C ATOM 0 H THR A 104 1.675 4.637 9.757 1.00 0.00 H new ATOM 0 HA THR A 104 2.553 1.978 10.621 1.00 0.00 H new ATOM 0 HB THR A 104 0.021 1.814 11.181 1.00 0.00 H new ATOM 0 HG1 THR A 104 -0.269 3.918 9.881 1.00 0.00 H new ATOM 0 HG21 THR A 104 0.336 3.012 13.313 1.00 0.00 H new ATOM 0 HG22 THR A 104 1.769 2.050 12.881 1.00 0.00 H new ATOM 0 HG23 THR A 104 1.777 3.814 12.645 1.00 0.00 H new ATOM 1632 N ALA A 105 1.758 0.712 8.646 1.00 0.00 N ATOM 1633 CA ALA A 105 1.335 -0.050 7.477 1.00 0.00 C ATOM 1634 C ALA A 105 1.201 -1.533 7.809 1.00 0.00 C ATOM 1635 O ALA A 105 1.671 -1.991 8.850 1.00 0.00 O ATOM 1636 CB ALA A 105 2.316 0.151 6.333 1.00 0.00 C ATOM 0 H ALA A 105 2.479 0.258 9.207 1.00 0.00 H new ATOM 0 HA ALA A 105 0.356 0.317 7.169 1.00 0.00 H new ATOM 0 HB1 ALA A 105 1.988 -0.424 5.467 1.00 0.00 H new ATOM 0 HB2 ALA A 105 2.359 1.208 6.072 1.00 0.00 H new ATOM 0 HB3 ALA A 105 3.306 -0.187 6.639 1.00 0.00 H new ATOM 1642 N MET A 106 0.557 -2.278 6.917 1.00 0.00 N ATOM 1643 CA MET A 106 0.362 -3.710 7.115 1.00 0.00 C ATOM 1644 C MET A 106 1.481 -4.507 6.452 1.00 0.00 C ATOM 1645 O MET A 106 2.224 -3.981 5.623 1.00 0.00 O ATOM 1646 CB MET A 106 -0.992 -4.144 6.552 1.00 0.00 C ATOM 1647 CG MET A 106 -2.163 -3.814 7.463 1.00 0.00 C ATOM 1648 SD MET A 106 -3.689 -3.510 6.552 1.00 0.00 S ATOM 1649 CE MET A 106 -4.704 -2.770 7.828 1.00 0.00 C ATOM 0 H MET A 106 0.161 -1.914 6.050 1.00 0.00 H new ATOM 0 HA MET A 106 0.383 -3.910 8.186 1.00 0.00 H new ATOM 0 HB2 MET A 106 -1.146 -3.662 5.587 1.00 0.00 H new ATOM 0 HB3 MET A 106 -0.974 -5.219 6.372 1.00 0.00 H new ATOM 0 HG2 MET A 106 -2.319 -4.637 8.160 1.00 0.00 H new ATOM 0 HG3 MET A 106 -1.918 -2.934 8.058 1.00 0.00 H new ATOM 0 HE1 MET A 106 -5.684 -2.525 7.417 1.00 0.00 H new ATOM 0 HE2 MET A 106 -4.822 -3.473 8.653 1.00 0.00 H new ATOM 0 HE3 MET A 106 -4.226 -1.861 8.192 1.00 0.00 H new ATOM 1659 N ASP A 107 1.596 -5.778 6.823 1.00 0.00 N ATOM 1660 CA ASP A 107 2.624 -6.648 6.264 1.00 0.00 C ATOM 1661 C ASP A 107 2.029 -7.591 5.223 1.00 0.00 C ATOM 1662 O ASP A 107 0.816 -7.801 5.179 1.00 0.00 O ATOM 1663 CB ASP A 107 3.298 -7.454 7.375 1.00 0.00 C ATOM 1664 CG ASP A 107 4.649 -8.000 6.954 1.00 0.00 C ATOM 1665 OD1 ASP A 107 4.684 -8.883 6.071 1.00 0.00 O ATOM 1666 OD2 ASP A 107 5.671 -7.544 7.508 1.00 0.00 O ATOM 0 H ASP A 107 0.990 -6.228 7.509 1.00 0.00 H new ATOM 0 HA ASP A 107 3.371 -6.022 5.776 1.00 0.00 H new ATOM 0 HB2 ASP A 107 3.422 -6.822 8.254 1.00 0.00 H new ATOM 0 HB3 ASP A 107 2.649 -8.280 7.665 1.00 0.00 H new ATOM 1671 N THR A 108 2.891 -8.158 4.384 1.00 0.00 N ATOM 1672 CA THR A 108 2.452 -9.077 3.341 1.00 0.00 C ATOM 1673 C THR A 108 2.374 -10.506 3.866 1.00 0.00 C ATOM 1674 O THR A 108 1.483 -11.266 3.490 1.00 0.00 O ATOM 1675 CB THR A 108 3.396 -9.040 2.126 1.00 0.00 C ATOM 1676 OG1 THR A 108 4.729 -9.375 2.529 1.00 0.00 O ATOM 1677 CG2 THR A 108 3.389 -7.663 1.478 1.00 0.00 C ATOM 0 H THR A 108 3.898 -7.997 4.407 1.00 0.00 H new ATOM 0 HA THR A 108 1.459 -8.752 3.030 1.00 0.00 H new ATOM 0 HB THR A 108 3.043 -9.770 1.398 1.00 0.00 H new ATOM 0 HG1 THR A 108 5.322 -9.351 1.749 1.00 0.00 H new ATOM 0 HG21 THR A 108 4.063 -7.660 0.622 1.00 0.00 H new ATOM 0 HG22 THR A 108 2.379 -7.422 1.146 1.00 0.00 H new ATOM 0 HG23 THR A 108 3.720 -6.918 2.202 1.00 0.00 H new ATOM 1685 N GLU A 109 3.312 -10.865 4.738 1.00 0.00 N ATOM 1686 CA GLU A 109 3.347 -12.204 5.313 1.00 0.00 C ATOM 1687 C GLU A 109 2.768 -12.205 6.724 1.00 0.00 C ATOM 1688 O GLU A 109 1.867 -12.985 7.036 1.00 0.00 O ATOM 1689 CB GLU A 109 4.783 -12.733 5.338 1.00 0.00 C ATOM 1690 CG GLU A 109 5.429 -12.806 3.965 1.00 0.00 C ATOM 1691 CD GLU A 109 6.466 -13.908 3.867 1.00 0.00 C ATOM 1692 OE1 GLU A 109 7.559 -13.747 4.450 1.00 0.00 O ATOM 1693 OE2 GLU A 109 6.185 -14.931 3.207 1.00 0.00 O ATOM 0 H GLU A 109 4.057 -10.247 5.061 1.00 0.00 H new ATOM 0 HA GLU A 109 2.737 -12.857 4.689 1.00 0.00 H new ATOM 0 HB2 GLU A 109 5.386 -12.092 5.980 1.00 0.00 H new ATOM 0 HB3 GLU A 109 4.787 -13.727 5.786 1.00 0.00 H new ATOM 0 HG2 GLU A 109 4.658 -12.970 3.213 1.00 0.00 H new ATOM 0 HG3 GLU A 109 5.898 -11.849 3.737 1.00 0.00 H new ATOM 1700 N ASP A 110 3.290 -11.327 7.573 1.00 0.00 N ATOM 1701 CA ASP A 110 2.825 -11.225 8.952 1.00 0.00 C ATOM 1702 C ASP A 110 1.369 -10.775 9.002 1.00 0.00 C ATOM 1703 O ASP A 110 0.718 -10.863 10.043 1.00 0.00 O ATOM 1704 CB ASP A 110 3.702 -10.249 9.738 1.00 0.00 C ATOM 1705 CG ASP A 110 5.161 -10.658 9.744 1.00 0.00 C ATOM 1706 OD1 ASP A 110 5.822 -10.520 8.692 1.00 0.00 O ATOM 1707 OD2 ASP A 110 5.644 -11.115 10.801 1.00 0.00 O ATOM 0 H ASP A 110 4.036 -10.675 7.331 1.00 0.00 H new ATOM 0 HA ASP A 110 2.897 -12.212 9.408 1.00 0.00 H new ATOM 0 HB2 ASP A 110 3.609 -9.253 9.306 1.00 0.00 H new ATOM 0 HB3 ASP A 110 3.341 -10.186 10.765 1.00 0.00 H new ATOM 1712 N GLN A 111 0.865 -10.293 7.871 1.00 0.00 N ATOM 1713 CA GLN A 111 -0.515 -9.827 7.787 1.00 0.00 C ATOM 1714 C GLN A 111 -0.901 -9.044 9.037 1.00 0.00 C ATOM 1715 O GLN A 111 -1.939 -9.299 9.646 1.00 0.00 O ATOM 1716 CB GLN A 111 -1.465 -11.012 7.599 1.00 0.00 C ATOM 1717 CG GLN A 111 -1.158 -11.848 6.368 1.00 0.00 C ATOM 1718 CD GLN A 111 -2.359 -12.639 5.885 1.00 0.00 C ATOM 1719 OE1 GLN A 111 -2.299 -13.862 5.758 1.00 0.00 O ATOM 1720 NE2 GLN A 111 -3.457 -11.943 5.615 1.00 0.00 N ATOM 0 H GLN A 111 1.391 -10.215 7.000 1.00 0.00 H new ATOM 0 HA GLN A 111 -0.597 -9.165 6.925 1.00 0.00 H new ATOM 0 HB2 GLN A 111 -1.417 -11.649 8.482 1.00 0.00 H new ATOM 0 HB3 GLN A 111 -2.487 -10.640 7.530 1.00 0.00 H new ATOM 0 HG2 GLN A 111 -0.812 -11.195 5.567 1.00 0.00 H new ATOM 0 HG3 GLN A 111 -0.342 -12.535 6.594 1.00 0.00 H new ATOM 0 HE21 GLN A 111 -3.461 -10.930 5.735 1.00 0.00 H new ATOM 0 HE22 GLN A 111 -4.296 -12.421 5.288 1.00 0.00 H new ATOM 1729 N GLY A 112 -0.058 -8.087 9.414 1.00 0.00 N ATOM 1730 CA GLY A 112 -0.329 -7.281 10.591 1.00 0.00 C ATOM 1731 C GLY A 112 0.035 -5.823 10.390 1.00 0.00 C ATOM 1732 O GLY A 112 0.907 -5.498 9.583 1.00 0.00 O ATOM 0 H GLY A 112 0.807 -7.855 8.926 1.00 0.00 H new ATOM 0 HA2 GLY A 112 -1.386 -7.357 10.844 1.00 0.00 H new ATOM 0 HA3 GLY A 112 0.231 -7.679 11.437 1.00 0.00 H new ATOM 1736 N VAL A 113 -0.635 -4.941 11.124 1.00 0.00 N ATOM 1737 CA VAL A 113 -0.378 -3.509 11.023 1.00 0.00 C ATOM 1738 C VAL A 113 0.833 -3.108 11.858 1.00 0.00 C ATOM 1739 O VAL A 113 0.721 -2.866 13.060 1.00 0.00 O ATOM 1740 CB VAL A 113 -1.598 -2.687 11.480 1.00 0.00 C ATOM 1741 CG1 VAL A 113 -1.217 -1.226 11.668 1.00 0.00 C ATOM 1742 CG2 VAL A 113 -2.737 -2.824 10.482 1.00 0.00 C ATOM 0 H VAL A 113 -1.360 -5.193 11.796 1.00 0.00 H new ATOM 0 HA VAL A 113 -0.178 -3.296 9.973 1.00 0.00 H new ATOM 0 HB VAL A 113 -1.937 -3.076 12.440 1.00 0.00 H new ATOM 0 HG11 VAL A 113 -2.091 -0.661 11.991 1.00 0.00 H new ATOM 0 HG12 VAL A 113 -0.435 -1.148 12.424 1.00 0.00 H new ATOM 0 HG13 VAL A 113 -0.851 -0.821 10.724 1.00 0.00 H new ATOM 0 HG21 VAL A 113 -3.590 -2.237 10.821 1.00 0.00 H new ATOM 0 HG22 VAL A 113 -2.412 -2.462 9.507 1.00 0.00 H new ATOM 0 HG23 VAL A 113 -3.026 -3.872 10.402 1.00 0.00 H new ATOM 1752 N LYS A 114 1.992 -3.039 11.212 1.00 0.00 N ATOM 1753 CA LYS A 114 3.226 -2.666 11.893 1.00 0.00 C ATOM 1754 C LYS A 114 3.724 -1.307 11.410 1.00 0.00 C ATOM 1755 O LYS A 114 3.547 -0.948 10.245 1.00 0.00 O ATOM 1756 CB LYS A 114 4.303 -3.727 11.659 1.00 0.00 C ATOM 1757 CG LYS A 114 4.540 -4.041 10.192 1.00 0.00 C ATOM 1758 CD LYS A 114 5.352 -5.313 10.019 1.00 0.00 C ATOM 1759 CE LYS A 114 4.561 -6.543 10.440 1.00 0.00 C ATOM 1760 NZ LYS A 114 4.700 -6.819 11.897 1.00 0.00 N ATOM 0 H LYS A 114 2.102 -3.237 10.217 1.00 0.00 H new ATOM 0 HA LYS A 114 3.016 -2.599 12.961 1.00 0.00 H new ATOM 0 HB2 LYS A 114 5.238 -3.388 12.105 1.00 0.00 H new ATOM 0 HB3 LYS A 114 4.017 -4.643 12.176 1.00 0.00 H new ATOM 0 HG2 LYS A 114 3.582 -4.147 9.682 1.00 0.00 H new ATOM 0 HG3 LYS A 114 5.062 -3.208 9.720 1.00 0.00 H new ATOM 0 HD2 LYS A 114 5.655 -5.413 8.977 1.00 0.00 H new ATOM 0 HD3 LYS A 114 6.265 -5.246 10.611 1.00 0.00 H new ATOM 0 HE2 LYS A 114 3.508 -6.399 10.196 1.00 0.00 H new ATOM 0 HE3 LYS A 114 4.904 -7.408 9.872 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 5.020 -7.799 12.036 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 5.396 -6.166 12.309 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 3.781 -6.686 12.365 1.00 0.00 H new ATOM 1774 N VAL A 115 4.349 -0.556 12.311 1.00 0.00 N ATOM 1775 CA VAL A 115 4.875 0.762 11.976 1.00 0.00 C ATOM 1776 C VAL A 115 6.291 0.664 11.421 1.00 0.00 C ATOM 1777 O VAL A 115 7.210 0.217 12.109 1.00 0.00 O ATOM 1778 CB VAL A 115 4.880 1.693 13.203 1.00 0.00 C ATOM 1779 CG1 VAL A 115 5.599 1.035 14.370 1.00 0.00 C ATOM 1780 CG2 VAL A 115 5.520 3.029 12.855 1.00 0.00 C ATOM 0 H VAL A 115 4.504 -0.838 13.279 1.00 0.00 H new ATOM 0 HA VAL A 115 4.217 1.181 11.214 1.00 0.00 H new ATOM 0 HB VAL A 115 3.848 1.878 13.502 1.00 0.00 H new ATOM 0 HG11 VAL A 115 5.592 1.708 15.228 1.00 0.00 H new ATOM 0 HG12 VAL A 115 5.092 0.107 14.633 1.00 0.00 H new ATOM 0 HG13 VAL A 115 6.629 0.818 14.087 1.00 0.00 H new ATOM 0 HG21 VAL A 115 5.515 3.675 13.733 1.00 0.00 H new ATOM 0 HG22 VAL A 115 6.548 2.866 12.530 1.00 0.00 H new ATOM 0 HG23 VAL A 115 4.956 3.504 12.052 1.00 0.00 H new ATOM 1790 N PHE A 116 6.462 1.084 10.171 1.00 0.00 N ATOM 1791 CA PHE A 116 7.767 1.043 9.524 1.00 0.00 C ATOM 1792 C PHE A 116 8.465 2.396 9.619 1.00 0.00 C ATOM 1793 O PHE A 116 7.908 3.359 10.148 1.00 0.00 O ATOM 1794 CB PHE A 116 7.619 0.635 8.055 1.00 0.00 C ATOM 1795 CG PHE A 116 7.004 -0.721 7.870 1.00 0.00 C ATOM 1796 CD1 PHE A 116 5.627 -0.873 7.834 1.00 0.00 C ATOM 1797 CD2 PHE A 116 7.802 -1.846 7.732 1.00 0.00 C ATOM 1798 CE1 PHE A 116 5.057 -2.121 7.663 1.00 0.00 C ATOM 1799 CE2 PHE A 116 7.237 -3.096 7.560 1.00 0.00 C ATOM 1800 CZ PHE A 116 5.863 -3.234 7.527 1.00 0.00 C ATOM 0 H PHE A 116 5.713 1.456 9.587 1.00 0.00 H new ATOM 0 HA PHE A 116 8.377 0.302 10.041 1.00 0.00 H new ATOM 0 HB2 PHE A 116 7.007 1.376 7.540 1.00 0.00 H new ATOM 0 HB3 PHE A 116 8.601 0.648 7.582 1.00 0.00 H new ATOM 0 HD1 PHE A 116 4.992 -0.006 7.941 1.00 0.00 H new ATOM 0 HD2 PHE A 116 8.877 -1.745 7.759 1.00 0.00 H new ATOM 0 HE1 PHE A 116 3.982 -2.225 7.636 1.00 0.00 H new ATOM 0 HE2 PHE A 116 7.870 -3.964 7.451 1.00 0.00 H new ATOM 0 HZ PHE A 116 5.420 -4.210 7.395 1.00 0.00 H new ATOM 1810 N LEU A 117 9.688 2.463 9.103 1.00 0.00 N ATOM 1811 CA LEU A 117 10.464 3.698 9.131 1.00 0.00 C ATOM 1812 C LEU A 117 11.009 4.029 7.745 1.00 0.00 C ATOM 1813 O LEU A 117 11.256 3.135 6.935 1.00 0.00 O ATOM 1814 CB LEU A 117 11.615 3.579 10.130 1.00 0.00 C ATOM 1815 CG LEU A 117 12.211 4.896 10.628 1.00 0.00 C ATOM 1816 CD1 LEU A 117 11.485 5.371 11.876 1.00 0.00 C ATOM 1817 CD2 LEU A 117 13.700 4.738 10.903 1.00 0.00 C ATOM 0 H LEU A 117 10.163 1.677 8.660 1.00 0.00 H new ATOM 0 HA LEU A 117 9.803 4.506 9.444 1.00 0.00 H new ATOM 0 HB2 LEU A 117 11.264 3.013 10.993 1.00 0.00 H new ATOM 0 HB3 LEU A 117 12.411 2.995 9.669 1.00 0.00 H new ATOM 0 HG LEU A 117 12.084 5.648 9.849 1.00 0.00 H new ATOM 0 HD11 LEU A 117 11.922 6.310 12.216 1.00 0.00 H new ATOM 0 HD12 LEU A 117 10.430 5.524 11.647 1.00 0.00 H new ATOM 0 HD13 LEU A 117 11.581 4.620 12.661 1.00 0.00 H new ATOM 0 HD21 LEU A 117 14.107 5.685 11.257 1.00 0.00 H new ATOM 0 HD22 LEU A 117 13.850 3.972 11.664 1.00 0.00 H new ATOM 0 HD23 LEU A 117 14.210 4.444 9.986 1.00 0.00 H new ATOM 1829 N ILE A 118 11.198 5.318 7.480 1.00 0.00 N ATOM 1830 CA ILE A 118 11.717 5.766 6.194 1.00 0.00 C ATOM 1831 C ILE A 118 12.830 6.792 6.378 1.00 0.00 C ATOM 1832 O ILE A 118 12.569 7.962 6.654 1.00 0.00 O ATOM 1833 CB ILE A 118 10.607 6.379 5.321 1.00 0.00 C ATOM 1834 CG1 ILE A 118 9.383 5.462 5.295 1.00 0.00 C ATOM 1835 CG2 ILE A 118 11.120 6.629 3.911 1.00 0.00 C ATOM 1836 CD1 ILE A 118 8.075 6.204 5.125 1.00 0.00 C ATOM 0 H ILE A 118 10.999 6.070 8.140 1.00 0.00 H new ATOM 0 HA ILE A 118 12.117 4.886 5.691 1.00 0.00 H new ATOM 0 HB ILE A 118 10.311 7.335 5.753 1.00 0.00 H new ATOM 0 HG12 ILE A 118 9.493 4.745 4.481 1.00 0.00 H new ATOM 0 HG13 ILE A 118 9.349 4.889 6.222 1.00 0.00 H new ATOM 0 HG21 ILE A 118 10.324 7.062 3.306 1.00 0.00 H new ATOM 0 HG22 ILE A 118 11.964 7.318 3.948 1.00 0.00 H new ATOM 0 HG23 ILE A 118 11.440 5.686 3.468 1.00 0.00 H new ATOM 0 HD11 ILE A 118 7.251 5.491 5.115 1.00 0.00 H new ATOM 0 HD12 ILE A 118 7.942 6.901 5.952 1.00 0.00 H new ATOM 0 HD13 ILE A 118 8.089 6.755 4.185 1.00 0.00 H new ATOM 1848 N SER A 119 14.071 6.343 6.223 1.00 0.00 N ATOM 1849 CA SER A 119 15.225 7.222 6.374 1.00 0.00 C ATOM 1850 C SER A 119 15.682 7.757 5.020 1.00 0.00 C ATOM 1851 O SER A 119 16.161 7.004 4.173 1.00 0.00 O ATOM 1852 CB SER A 119 16.375 6.477 7.055 1.00 0.00 C ATOM 1853 OG SER A 119 17.449 7.356 7.349 1.00 0.00 O ATOM 0 H SER A 119 14.303 5.377 5.993 1.00 0.00 H new ATOM 0 HA SER A 119 14.928 8.066 6.997 1.00 0.00 H new ATOM 0 HB2 SER A 119 16.018 6.013 7.975 1.00 0.00 H new ATOM 0 HB3 SER A 119 16.726 5.673 6.408 1.00 0.00 H new ATOM 0 HG SER A 119 17.095 8.244 7.567 1.00 0.00 H new ATOM 1859 N ALA A 120 15.530 9.063 4.824 1.00 0.00 N ATOM 1860 CA ALA A 120 15.927 9.699 3.574 1.00 0.00 C ATOM 1861 C ALA A 120 16.569 11.058 3.831 1.00 0.00 C ATOM 1862 O ALA A 120 16.395 11.646 4.899 1.00 0.00 O ATOM 1863 CB ALA A 120 14.727 9.846 2.652 1.00 0.00 C ATOM 0 H ALA A 120 15.135 9.701 5.515 1.00 0.00 H new ATOM 0 HA ALA A 120 16.667 9.062 3.089 1.00 0.00 H new ATOM 0 HB1 ALA A 120 15.039 10.322 1.722 1.00 0.00 H new ATOM 0 HB2 ALA A 120 14.313 8.862 2.434 1.00 0.00 H new ATOM 0 HB3 ALA A 120 13.968 10.459 3.138 1.00 0.00 H new ATOM 1869 N SER A 121 17.312 11.553 2.846 1.00 0.00 N ATOM 1870 CA SER A 121 17.983 12.841 2.967 1.00 0.00 C ATOM 1871 C SER A 121 16.998 13.931 3.383 1.00 0.00 C ATOM 1872 O SER A 121 15.807 13.850 3.087 1.00 0.00 O ATOM 1873 CB SER A 121 18.651 13.219 1.644 1.00 0.00 C ATOM 1874 OG SER A 121 19.705 12.326 1.330 1.00 0.00 O ATOM 0 H SER A 121 17.464 11.081 1.955 1.00 0.00 H new ATOM 0 HA SER A 121 18.747 12.753 3.739 1.00 0.00 H new ATOM 0 HB2 SER A 121 17.911 13.208 0.844 1.00 0.00 H new ATOM 0 HB3 SER A 121 19.039 14.236 1.706 1.00 0.00 H new ATOM 0 HG SER A 121 20.114 12.589 0.479 1.00 0.00 H new ATOM 1880 N SER A 122 17.507 14.948 4.070 1.00 0.00 N ATOM 1881 CA SER A 122 16.673 16.053 4.530 1.00 0.00 C ATOM 1882 C SER A 122 15.578 16.366 3.514 1.00 0.00 C ATOM 1883 O SER A 122 14.409 16.517 3.869 1.00 0.00 O ATOM 1884 CB SER A 122 17.528 17.297 4.776 1.00 0.00 C ATOM 1885 OG SER A 122 18.109 17.764 3.571 1.00 0.00 O ATOM 0 H SER A 122 18.492 15.030 4.321 1.00 0.00 H new ATOM 0 HA SER A 122 16.201 15.755 5.466 1.00 0.00 H new ATOM 0 HB2 SER A 122 16.914 18.083 5.215 1.00 0.00 H new ATOM 0 HB3 SER A 122 18.313 17.066 5.496 1.00 0.00 H new ATOM 0 HG SER A 122 18.649 18.561 3.755 1.00 0.00 H new ATOM 1891 N LYS A 123 15.967 16.465 2.246 1.00 0.00 N ATOM 1892 CA LYS A 123 15.021 16.759 1.177 1.00 0.00 C ATOM 1893 C LYS A 123 14.173 15.535 0.848 1.00 0.00 C ATOM 1894 O LYS A 123 12.948 15.569 0.958 1.00 0.00 O ATOM 1895 CB LYS A 123 15.766 17.229 -0.075 1.00 0.00 C ATOM 1896 CG LYS A 123 14.851 17.541 -1.246 1.00 0.00 C ATOM 1897 CD LYS A 123 14.615 16.316 -2.114 1.00 0.00 C ATOM 1898 CE LYS A 123 14.156 16.703 -3.511 1.00 0.00 C ATOM 1899 NZ LYS A 123 14.576 15.700 -4.529 1.00 0.00 N ATOM 0 H LYS A 123 16.931 16.346 1.935 1.00 0.00 H new ATOM 0 HA LYS A 123 14.360 17.555 1.519 1.00 0.00 H new ATOM 0 HB2 LYS A 123 16.345 18.119 0.170 1.00 0.00 H new ATOM 0 HB3 LYS A 123 16.477 16.459 -0.375 1.00 0.00 H new ATOM 0 HG2 LYS A 123 13.897 17.913 -0.874 1.00 0.00 H new ATOM 0 HG3 LYS A 123 15.289 18.336 -1.849 1.00 0.00 H new ATOM 0 HD2 LYS A 123 15.534 15.733 -2.180 1.00 0.00 H new ATOM 0 HD3 LYS A 123 13.865 15.677 -1.647 1.00 0.00 H new ATOM 0 HE2 LYS A 123 13.070 16.800 -3.523 1.00 0.00 H new ATOM 0 HE3 LYS A 123 14.566 17.679 -3.771 1.00 0.00 H new ATOM 0 HZ1 LYS A 123 13.941 15.753 -5.351 1.00 0.00 H new ATOM 0 HZ2 LYS A 123 15.551 15.899 -4.831 1.00 0.00 H new ATOM 0 HZ3 LYS A 123 14.529 14.746 -4.117 1.00 0.00 H new ATOM 1913 N ASP A 124 14.833 14.455 0.444 1.00 0.00 N ATOM 1914 CA ASP A 124 14.140 13.218 0.101 1.00 0.00 C ATOM 1915 C ASP A 124 12.976 12.965 1.055 1.00 0.00 C ATOM 1916 O ASP A 124 11.846 12.732 0.625 1.00 0.00 O ATOM 1917 CB ASP A 124 15.111 12.037 0.138 1.00 0.00 C ATOM 1918 CG ASP A 124 15.930 11.922 -1.133 1.00 0.00 C ATOM 1919 OD1 ASP A 124 15.441 11.301 -2.100 1.00 0.00 O ATOM 1920 OD2 ASP A 124 17.060 12.454 -1.161 1.00 0.00 O ATOM 0 H ASP A 124 15.847 14.411 0.346 1.00 0.00 H new ATOM 0 HA ASP A 124 13.743 13.321 -0.909 1.00 0.00 H new ATOM 0 HB2 ASP A 124 15.781 12.148 0.990 1.00 0.00 H new ATOM 0 HB3 ASP A 124 14.551 11.114 0.291 1.00 0.00 H new ATOM 1925 N THR A 125 13.260 13.013 2.353 1.00 0.00 N ATOM 1926 CA THR A 125 12.239 12.787 3.368 1.00 0.00 C ATOM 1927 C THR A 125 11.053 13.725 3.172 1.00 0.00 C ATOM 1928 O THR A 125 9.920 13.281 2.996 1.00 0.00 O ATOM 1929 CB THR A 125 12.804 12.980 4.787 1.00 0.00 C ATOM 1930 OG1 THR A 125 13.888 12.072 5.011 1.00 0.00 O ATOM 1931 CG2 THR A 125 11.724 12.758 5.834 1.00 0.00 C ATOM 0 H THR A 125 14.189 13.207 2.726 1.00 0.00 H new ATOM 0 HA THR A 125 11.905 11.755 3.257 1.00 0.00 H new ATOM 0 HB THR A 125 13.166 14.004 4.874 1.00 0.00 H new ATOM 0 HG1 THR A 125 14.737 12.522 4.817 1.00 0.00 H new ATOM 0 HG21 THR A 125 12.147 12.900 6.829 1.00 0.00 H new ATOM 0 HG22 THR A 125 10.915 13.471 5.679 1.00 0.00 H new ATOM 0 HG23 THR A 125 11.335 11.743 5.746 1.00 0.00 H new ATOM 1939 N GLY A 126 11.323 15.027 3.205 1.00 0.00 N ATOM 1940 CA GLY A 126 10.268 16.008 3.029 1.00 0.00 C ATOM 1941 C GLY A 126 9.338 15.662 1.883 1.00 0.00 C ATOM 1942 O GLY A 126 8.120 15.772 2.010 1.00 0.00 O ATOM 0 H GLY A 126 12.253 15.419 3.350 1.00 0.00 H new ATOM 0 HA2 GLY A 126 9.691 16.085 3.950 1.00 0.00 H new ATOM 0 HA3 GLY A 126 10.713 16.987 2.849 1.00 0.00 H new ATOM 1946 N GLN A 127 9.915 15.243 0.762 1.00 0.00 N ATOM 1947 CA GLN A 127 9.130 14.882 -0.413 1.00 0.00 C ATOM 1948 C GLN A 127 8.066 13.849 -0.058 1.00 0.00 C ATOM 1949 O GLN A 127 6.869 14.140 -0.089 1.00 0.00 O ATOM 1950 CB GLN A 127 10.041 14.338 -1.514 1.00 0.00 C ATOM 1951 CG GLN A 127 10.561 15.408 -2.459 1.00 0.00 C ATOM 1952 CD GLN A 127 11.087 14.833 -3.760 1.00 0.00 C ATOM 1953 OE1 GLN A 127 10.564 15.123 -4.836 1.00 0.00 O ATOM 1954 NE2 GLN A 127 12.127 14.013 -3.667 1.00 0.00 N ATOM 0 H GLN A 127 10.923 15.145 0.642 1.00 0.00 H new ATOM 0 HA GLN A 127 8.631 15.780 -0.777 1.00 0.00 H new ATOM 0 HB2 GLN A 127 10.888 13.829 -1.054 1.00 0.00 H new ATOM 0 HB3 GLN A 127 9.494 13.591 -2.090 1.00 0.00 H new ATOM 0 HG2 GLN A 127 9.761 16.115 -2.676 1.00 0.00 H new ATOM 0 HG3 GLN A 127 11.356 15.968 -1.966 1.00 0.00 H new ATOM 0 HE21 GLN A 127 12.529 13.800 -2.754 1.00 0.00 H new ATOM 0 HE22 GLN A 127 12.524 13.596 -4.509 1.00 0.00 H new ATOM 1963 N LEU A 128 8.508 12.642 0.275 1.00 0.00 N ATOM 1964 CA LEU A 128 7.593 11.564 0.635 1.00 0.00 C ATOM 1965 C LEU A 128 6.595 12.027 1.690 1.00 0.00 C ATOM 1966 O LEU A 128 5.390 12.069 1.444 1.00 0.00 O ATOM 1967 CB LEU A 128 8.376 10.356 1.152 1.00 0.00 C ATOM 1968 CG LEU A 128 7.549 9.256 1.820 1.00 0.00 C ATOM 1969 CD1 LEU A 128 6.956 8.325 0.773 1.00 0.00 C ATOM 1970 CD2 LEU A 128 8.400 8.475 2.809 1.00 0.00 C ATOM 0 H LEU A 128 9.495 12.385 0.303 1.00 0.00 H new ATOM 0 HA LEU A 128 7.040 11.275 -0.259 1.00 0.00 H new ATOM 0 HB2 LEU A 128 8.921 9.917 0.316 1.00 0.00 H new ATOM 0 HB3 LEU A 128 9.119 10.709 1.867 1.00 0.00 H new ATOM 0 HG LEU A 128 6.730 9.724 2.367 1.00 0.00 H new ATOM 0 HD11 LEU A 128 6.371 7.549 1.266 1.00 0.00 H new ATOM 0 HD12 LEU A 128 6.312 8.894 0.103 1.00 0.00 H new ATOM 0 HD13 LEU A 128 7.760 7.864 0.199 1.00 0.00 H new ATOM 0 HD21 LEU A 128 7.795 7.697 3.274 1.00 0.00 H new ATOM 0 HD22 LEU A 128 9.239 8.017 2.285 1.00 0.00 H new ATOM 0 HD23 LEU A 128 8.777 9.150 3.577 1.00 0.00 H new ATOM 1982 N TYR A 129 7.104 12.375 2.867 1.00 0.00 N ATOM 1983 CA TYR A 129 6.257 12.837 3.960 1.00 0.00 C ATOM 1984 C TYR A 129 5.226 13.844 3.463 1.00 0.00 C ATOM 1985 O TYR A 129 4.021 13.643 3.613 1.00 0.00 O ATOM 1986 CB TYR A 129 7.109 13.464 5.065 1.00 0.00 C ATOM 1987 CG TYR A 129 6.310 13.901 6.271 1.00 0.00 C ATOM 1988 CD1 TYR A 129 5.514 12.999 6.965 1.00 0.00 C ATOM 1989 CD2 TYR A 129 6.351 15.217 6.717 1.00 0.00 C ATOM 1990 CE1 TYR A 129 4.781 13.395 8.069 1.00 0.00 C ATOM 1991 CE2 TYR A 129 5.624 15.620 7.819 1.00 0.00 C ATOM 1992 CZ TYR A 129 4.840 14.706 8.492 1.00 0.00 C ATOM 1993 OH TYR A 129 4.112 15.105 9.589 1.00 0.00 O ATOM 0 H TYR A 129 8.099 12.346 3.088 1.00 0.00 H new ATOM 0 HA TYR A 129 5.728 11.974 4.365 1.00 0.00 H new ATOM 0 HB2 TYR A 129 7.865 12.745 5.381 1.00 0.00 H new ATOM 0 HB3 TYR A 129 7.639 14.326 4.659 1.00 0.00 H new ATOM 0 HD1 TYR A 129 5.467 11.971 6.637 1.00 0.00 H new ATOM 0 HD2 TYR A 129 6.962 15.936 6.192 1.00 0.00 H new ATOM 0 HE1 TYR A 129 4.166 12.681 8.597 1.00 0.00 H new ATOM 0 HE2 TYR A 129 5.669 16.646 8.153 1.00 0.00 H new ATOM 0 HH TYR A 129 4.266 16.059 9.755 1.00 0.00 H new ATOM 2003 N ALA A 130 5.709 14.932 2.871 1.00 0.00 N ATOM 2004 CA ALA A 130 4.830 15.972 2.350 1.00 0.00 C ATOM 2005 C ALA A 130 3.749 15.378 1.453 1.00 0.00 C ATOM 2006 O ALA A 130 2.662 15.939 1.322 1.00 0.00 O ATOM 2007 CB ALA A 130 5.639 17.011 1.587 1.00 0.00 C ATOM 0 H ALA A 130 6.704 15.116 2.740 1.00 0.00 H new ATOM 0 HA ALA A 130 4.339 16.456 3.194 1.00 0.00 H new ATOM 0 HB1 ALA A 130 4.971 17.782 1.203 1.00 0.00 H new ATOM 0 HB2 ALA A 130 6.371 17.465 2.255 1.00 0.00 H new ATOM 0 HB3 ALA A 130 6.155 16.531 0.755 1.00 0.00 H new ATOM 2013 N ALA A 131 4.056 14.241 0.838 1.00 0.00 N ATOM 2014 CA ALA A 131 3.108 13.570 -0.045 1.00 0.00 C ATOM 2015 C ALA A 131 2.038 12.835 0.755 1.00 0.00 C ATOM 2016 O ALA A 131 0.858 13.184 0.699 1.00 0.00 O ATOM 2017 CB ALA A 131 3.838 12.605 -0.967 1.00 0.00 C ATOM 0 H ALA A 131 4.953 13.765 0.934 1.00 0.00 H new ATOM 0 HA ALA A 131 2.613 14.329 -0.651 1.00 0.00 H new ATOM 0 HB1 ALA A 131 3.119 12.111 -1.620 1.00 0.00 H new ATOM 0 HB2 ALA A 131 4.559 13.155 -1.571 1.00 0.00 H new ATOM 0 HB3 ALA A 131 4.360 11.856 -0.371 1.00 0.00 H new ATOM 2023 N LEU A 132 2.457 11.816 1.497 1.00 0.00 N ATOM 2024 CA LEU A 132 1.533 11.031 2.308 1.00 0.00 C ATOM 2025 C LEU A 132 0.517 11.931 3.003 1.00 0.00 C ATOM 2026 O LEU A 132 -0.678 11.875 2.711 1.00 0.00 O ATOM 2027 CB LEU A 132 2.304 10.216 3.348 1.00 0.00 C ATOM 2028 CG LEU A 132 3.520 9.446 2.832 1.00 0.00 C ATOM 2029 CD1 LEU A 132 4.116 8.586 3.935 1.00 0.00 C ATOM 2030 CD2 LEU A 132 3.139 8.589 1.633 1.00 0.00 C ATOM 0 H LEU A 132 3.430 11.514 1.554 1.00 0.00 H new ATOM 0 HA LEU A 132 0.995 10.351 1.647 1.00 0.00 H new ATOM 0 HB2 LEU A 132 2.635 10.892 4.137 1.00 0.00 H new ATOM 0 HB3 LEU A 132 1.616 9.505 3.805 1.00 0.00 H new ATOM 0 HG LEU A 132 4.274 10.167 2.515 1.00 0.00 H new ATOM 0 HD11 LEU A 132 4.980 8.046 3.548 1.00 0.00 H new ATOM 0 HD12 LEU A 132 4.427 9.222 4.764 1.00 0.00 H new ATOM 0 HD13 LEU A 132 3.369 7.873 4.284 1.00 0.00 H new ATOM 0 HD21 LEU A 132 4.017 8.048 1.279 1.00 0.00 H new ATOM 0 HD22 LEU A 132 2.367 7.877 1.925 1.00 0.00 H new ATOM 0 HD23 LEU A 132 2.760 9.228 0.835 1.00 0.00 H new ATOM 2042 N HIS A 133 1.000 12.762 3.921 1.00 0.00 N ATOM 2043 CA HIS A 133 0.133 13.677 4.655 1.00 0.00 C ATOM 2044 C HIS A 133 -1.052 14.109 3.797 1.00 0.00 C ATOM 2045 O HIS A 133 -2.201 13.790 4.101 1.00 0.00 O ATOM 2046 CB HIS A 133 0.922 14.905 5.110 1.00 0.00 C ATOM 2047 CG HIS A 133 0.145 15.816 6.010 1.00 0.00 C ATOM 2048 ND1 HIS A 133 0.151 17.189 5.877 1.00 0.00 N ATOM 2049 CD2 HIS A 133 -0.667 15.545 7.057 1.00 0.00 C ATOM 2050 CE1 HIS A 133 -0.622 17.723 6.806 1.00 0.00 C ATOM 2051 NE2 HIS A 133 -1.131 16.746 7.535 1.00 0.00 N ATOM 0 H HIS A 133 1.986 12.821 4.174 1.00 0.00 H new ATOM 0 HA HIS A 133 -0.248 13.153 5.532 1.00 0.00 H new ATOM 0 HB2 HIS A 133 1.823 14.576 5.629 1.00 0.00 H new ATOM 0 HB3 HIS A 133 1.246 15.464 4.232 1.00 0.00 H new ATOM 0 HD2 HIS A 133 -0.906 14.566 7.445 1.00 0.00 H new ATOM 0 HE1 HIS A 133 -0.806 18.778 6.946 1.00 0.00 H new ATOM 0 HE2 HIS A 133 -1.766 16.864 8.325 1.00 0.00 H new ATOM 2059 N HIS A 134 -0.764 14.838 2.722 1.00 0.00 N ATOM 2060 CA HIS A 134 -1.806 15.314 1.820 1.00 0.00 C ATOM 2061 C HIS A 134 -2.707 14.166 1.377 1.00 0.00 C ATOM 2062 O HIS A 134 -3.930 14.306 1.327 1.00 0.00 O ATOM 2063 CB HIS A 134 -1.183 15.989 0.598 1.00 0.00 C ATOM 2064 CG HIS A 134 -2.061 15.962 -0.615 1.00 0.00 C ATOM 2065 ND1 HIS A 134 -2.754 17.064 -1.068 1.00 0.00 N ATOM 2066 CD2 HIS A 134 -2.357 14.956 -1.471 1.00 0.00 C ATOM 2067 CE1 HIS A 134 -3.439 16.737 -2.149 1.00 0.00 C ATOM 2068 NE2 HIS A 134 -3.215 15.464 -2.416 1.00 0.00 N ATOM 0 H HIS A 134 0.182 15.111 2.455 1.00 0.00 H new ATOM 0 HA HIS A 134 -2.413 16.042 2.358 1.00 0.00 H new ATOM 0 HB2 HIS A 134 -0.950 17.025 0.845 1.00 0.00 H new ATOM 0 HB3 HIS A 134 -0.239 15.497 0.364 1.00 0.00 H new ATOM 0 HD2 HIS A 134 -1.987 13.942 -1.420 1.00 0.00 H new ATOM 0 HE1 HIS A 134 -4.075 17.399 -2.718 1.00 0.00 H new ATOM 0 HE2 HIS A 134 -3.614 14.942 -3.197 1.00 0.00 H new ATOM 2076 N ARG A 135 -2.096 13.030 1.056 1.00 0.00 N ATOM 2077 CA ARG A 135 -2.844 11.858 0.615 1.00 0.00 C ATOM 2078 C ARG A 135 -3.840 11.415 1.683 1.00 0.00 C ATOM 2079 O ARG A 135 -4.898 10.867 1.369 1.00 0.00 O ATOM 2080 CB ARG A 135 -1.887 10.710 0.289 1.00 0.00 C ATOM 2081 CG ARG A 135 -0.885 11.045 -0.804 1.00 0.00 C ATOM 2082 CD ARG A 135 -1.539 11.056 -2.176 1.00 0.00 C ATOM 2083 NE ARG A 135 -0.847 11.945 -3.106 1.00 0.00 N ATOM 2084 CZ ARG A 135 -1.418 12.469 -4.185 1.00 0.00 C ATOM 2085 NH1 ARG A 135 -2.684 12.196 -4.468 1.00 0.00 N ATOM 2086 NH2 ARG A 135 -0.721 13.269 -4.983 1.00 0.00 N ATOM 0 H ARG A 135 -1.085 12.896 1.093 1.00 0.00 H new ATOM 0 HA ARG A 135 -3.398 12.128 -0.284 1.00 0.00 H new ATOM 0 HB2 ARG A 135 -1.346 10.431 1.193 1.00 0.00 H new ATOM 0 HB3 ARG A 135 -2.468 9.840 -0.016 1.00 0.00 H new ATOM 0 HG2 ARG A 135 -0.440 12.020 -0.604 1.00 0.00 H new ATOM 0 HG3 ARG A 135 -0.075 10.316 -0.792 1.00 0.00 H new ATOM 0 HD2 ARG A 135 -1.548 10.044 -2.581 1.00 0.00 H new ATOM 0 HD3 ARG A 135 -2.578 11.370 -2.080 1.00 0.00 H new ATOM 0 HE ARG A 135 0.128 12.176 -2.916 1.00 0.00 H new ATOM 0 HH11 ARG A 135 -3.222 11.582 -3.857 1.00 0.00 H new ATOM 0 HH12 ARG A 135 -3.120 12.600 -5.297 1.00 0.00 H new ATOM 0 HH21 ARG A 135 0.253 13.481 -4.768 1.00 0.00 H new ATOM 0 HH22 ARG A 135 -1.160 13.671 -5.811 1.00 0.00 H new ATOM 2100 N ILE A 136 -3.495 11.657 2.943 1.00 0.00 N ATOM 2101 CA ILE A 136 -4.360 11.283 4.057 1.00 0.00 C ATOM 2102 C ILE A 136 -5.523 12.258 4.198 1.00 0.00 C ATOM 2103 O ILE A 136 -6.671 11.849 4.378 1.00 0.00 O ATOM 2104 CB ILE A 136 -3.579 11.235 5.383 1.00 0.00 C ATOM 2105 CG1 ILE A 136 -2.167 10.694 5.151 1.00 0.00 C ATOM 2106 CG2 ILE A 136 -4.320 10.381 6.402 1.00 0.00 C ATOM 2107 CD1 ILE A 136 -2.132 9.450 4.289 1.00 0.00 C ATOM 0 H ILE A 136 -2.624 12.110 3.219 1.00 0.00 H new ATOM 0 HA ILE A 136 -4.748 10.288 3.838 1.00 0.00 H new ATOM 0 HB ILE A 136 -3.497 12.248 5.777 1.00 0.00 H new ATOM 0 HG12 ILE A 136 -1.562 11.469 4.681 1.00 0.00 H new ATOM 0 HG13 ILE A 136 -1.708 10.472 6.115 1.00 0.00 H new ATOM 0 HG21 ILE A 136 -3.756 10.356 7.335 1.00 0.00 H new ATOM 0 HG22 ILE A 136 -5.306 10.807 6.586 1.00 0.00 H new ATOM 0 HG23 ILE A 136 -4.429 9.367 6.017 1.00 0.00 H new ATOM 0 HD11 ILE A 136 -1.100 9.122 4.166 1.00 0.00 H new ATOM 0 HD12 ILE A 136 -2.710 8.659 4.768 1.00 0.00 H new ATOM 0 HD13 ILE A 136 -2.561 9.672 3.312 1.00 0.00 H new ATOM 2119 N LEU A 137 -5.221 13.549 4.116 1.00 0.00 N ATOM 2120 CA LEU A 137 -6.242 14.583 4.233 1.00 0.00 C ATOM 2121 C LEU A 137 -7.455 14.252 3.370 1.00 0.00 C ATOM 2122 O LEU A 137 -8.596 14.343 3.825 1.00 0.00 O ATOM 2123 CB LEU A 137 -5.670 15.942 3.826 1.00 0.00 C ATOM 2124 CG LEU A 137 -4.337 16.329 4.469 1.00 0.00 C ATOM 2125 CD1 LEU A 137 -3.822 17.634 3.885 1.00 0.00 C ATOM 2126 CD2 LEU A 137 -4.488 16.441 5.980 1.00 0.00 C ATOM 0 H LEU A 137 -4.276 13.904 3.969 1.00 0.00 H new ATOM 0 HA LEU A 137 -6.560 14.626 5.275 1.00 0.00 H new ATOM 0 HB2 LEU A 137 -5.545 15.951 2.743 1.00 0.00 H new ATOM 0 HB3 LEU A 137 -6.404 16.710 4.069 1.00 0.00 H new ATOM 0 HG LEU A 137 -3.610 15.547 4.253 1.00 0.00 H new ATOM 0 HD11 LEU A 137 -2.873 17.893 4.354 1.00 0.00 H new ATOM 0 HD12 LEU A 137 -3.676 17.519 2.811 1.00 0.00 H new ATOM 0 HD13 LEU A 137 -4.547 18.427 4.070 1.00 0.00 H new ATOM 0 HD21 LEU A 137 -3.531 16.717 6.422 1.00 0.00 H new ATOM 0 HD22 LEU A 137 -5.230 17.204 6.216 1.00 0.00 H new ATOM 0 HD23 LEU A 137 -4.812 15.482 6.385 1.00 0.00 H new ATOM 2138 N ALA A 138 -7.202 13.863 2.126 1.00 0.00 N ATOM 2139 CA ALA A 138 -8.273 13.511 1.201 1.00 0.00 C ATOM 2140 C ALA A 138 -9.151 12.403 1.772 1.00 0.00 C ATOM 2141 O ALA A 138 -10.355 12.358 1.519 1.00 0.00 O ATOM 2142 CB ALA A 138 -7.694 13.091 -0.142 1.00 0.00 C ATOM 0 H ALA A 138 -6.264 13.783 1.734 1.00 0.00 H new ATOM 0 HA ALA A 138 -8.897 14.393 1.055 1.00 0.00 H new ATOM 0 HB1 ALA A 138 -8.505 12.831 -0.822 1.00 0.00 H new ATOM 0 HB2 ALA A 138 -7.117 13.914 -0.563 1.00 0.00 H new ATOM 0 HB3 ALA A 138 -7.045 12.226 -0.004 1.00 0.00 H new ATOM 2148 N LEU A 139 -8.540 11.511 2.544 1.00 0.00 N ATOM 2149 CA LEU A 139 -9.266 10.401 3.151 1.00 0.00 C ATOM 2150 C LEU A 139 -10.000 10.854 4.410 1.00 0.00 C ATOM 2151 O LEU A 139 -11.230 10.877 4.448 1.00 0.00 O ATOM 2152 CB LEU A 139 -8.304 9.260 3.490 1.00 0.00 C ATOM 2153 CG LEU A 139 -7.173 9.017 2.490 1.00 0.00 C ATOM 2154 CD1 LEU A 139 -6.439 7.726 2.820 1.00 0.00 C ATOM 2155 CD2 LEU A 139 -7.716 8.978 1.070 1.00 0.00 C ATOM 0 H LEU A 139 -7.544 11.535 2.764 1.00 0.00 H new ATOM 0 HA LEU A 139 -10.003 10.044 2.431 1.00 0.00 H new ATOM 0 HB2 LEU A 139 -7.862 9.462 4.466 1.00 0.00 H new ATOM 0 HB3 LEU A 139 -8.882 8.341 3.585 1.00 0.00 H new ATOM 0 HG LEU A 139 -6.465 9.842 2.562 1.00 0.00 H new ATOM 0 HD11 LEU A 139 -5.637 7.569 2.098 1.00 0.00 H new ATOM 0 HD12 LEU A 139 -6.017 7.794 3.823 1.00 0.00 H new ATOM 0 HD13 LEU A 139 -7.136 6.889 2.776 1.00 0.00 H new ATOM 0 HD21 LEU A 139 -6.897 8.804 0.372 1.00 0.00 H new ATOM 0 HD22 LEU A 139 -8.445 8.173 0.981 1.00 0.00 H new ATOM 0 HD23 LEU A 139 -8.195 9.929 0.837 1.00 0.00 H new ATOM 2167 N ARG A 140 -9.237 11.215 5.435 1.00 0.00 N ATOM 2168 CA ARG A 140 -9.815 11.668 6.695 1.00 0.00 C ATOM 2169 C ARG A 140 -10.997 12.600 6.447 1.00 0.00 C ATOM 2170 O ARG A 140 -11.906 12.699 7.270 1.00 0.00 O ATOM 2171 CB ARG A 140 -8.757 12.383 7.538 1.00 0.00 C ATOM 2172 CG ARG A 140 -7.989 13.450 6.775 1.00 0.00 C ATOM 2173 CD ARG A 140 -7.518 14.563 7.697 1.00 0.00 C ATOM 2174 NE ARG A 140 -8.634 15.239 8.354 1.00 0.00 N ATOM 2175 CZ ARG A 140 -8.546 16.449 8.895 1.00 0.00 C ATOM 2176 NH1 ARG A 140 -7.399 17.113 8.858 1.00 0.00 N ATOM 2177 NH2 ARG A 140 -9.607 16.997 9.474 1.00 0.00 N ATOM 0 H ARG A 140 -8.217 11.203 5.419 1.00 0.00 H new ATOM 0 HA ARG A 140 -10.172 10.793 7.237 1.00 0.00 H new ATOM 0 HB2 ARG A 140 -9.241 12.842 8.400 1.00 0.00 H new ATOM 0 HB3 ARG A 140 -8.053 11.646 7.923 1.00 0.00 H new ATOM 0 HG2 ARG A 140 -7.130 12.998 6.280 1.00 0.00 H new ATOM 0 HG3 ARG A 140 -8.623 13.868 5.993 1.00 0.00 H new ATOM 0 HD2 ARG A 140 -6.849 14.150 8.452 1.00 0.00 H new ATOM 0 HD3 ARG A 140 -6.941 15.289 7.124 1.00 0.00 H new ATOM 0 HE ARG A 140 -9.531 14.755 8.400 1.00 0.00 H new ATOM 0 HH11 ARG A 140 -6.582 16.695 8.413 1.00 0.00 H new ATOM 0 HH12 ARG A 140 -7.334 18.042 9.274 1.00 0.00 H new ATOM 0 HH21 ARG A 140 -10.491 16.489 9.504 1.00 0.00 H new ATOM 0 HH22 ARG A 140 -9.538 17.926 9.889 1.00 0.00 H new ATOM 2191 N SER A 141 -10.977 13.281 5.305 1.00 0.00 N ATOM 2192 CA SER A 141 -12.046 14.208 4.949 1.00 0.00 C ATOM 2193 C SER A 141 -13.348 13.460 4.682 1.00 0.00 C ATOM 2194 O SER A 141 -14.422 13.890 5.104 1.00 0.00 O ATOM 2195 CB SER A 141 -11.652 15.024 3.718 1.00 0.00 C ATOM 2196 OG SER A 141 -12.402 16.224 3.640 1.00 0.00 O ATOM 0 H SER A 141 -10.233 13.208 4.611 1.00 0.00 H new ATOM 0 HA SER A 141 -12.202 14.884 5.790 1.00 0.00 H new ATOM 0 HB2 SER A 141 -10.588 15.258 3.758 1.00 0.00 H new ATOM 0 HB3 SER A 141 -11.814 14.431 2.818 1.00 0.00 H new ATOM 0 HG SER A 141 -12.130 16.729 2.845 1.00 0.00 H new ATOM 2202 N ARG A 142 -13.244 12.337 3.978 1.00 0.00 N ATOM 2203 CA ARG A 142 -14.413 11.529 3.652 1.00 0.00 C ATOM 2204 C ARG A 142 -15.240 11.242 4.902 1.00 0.00 C ATOM 2205 O ARG A 142 -16.467 11.341 4.884 1.00 0.00 O ATOM 2206 CB ARG A 142 -13.984 10.214 2.999 1.00 0.00 C ATOM 2207 CG ARG A 142 -13.005 10.396 1.851 1.00 0.00 C ATOM 2208 CD ARG A 142 -12.934 9.154 0.977 1.00 0.00 C ATOM 2209 NE ARG A 142 -14.227 8.830 0.379 1.00 0.00 N ATOM 2210 CZ ARG A 142 -15.121 8.031 0.951 1.00 0.00 C ATOM 2211 NH1 ARG A 142 -14.864 7.478 2.128 1.00 0.00 N ATOM 2212 NH2 ARG A 142 -16.276 7.785 0.345 1.00 0.00 N ATOM 0 H ARG A 142 -12.363 11.966 3.623 1.00 0.00 H new ATOM 0 HA ARG A 142 -15.029 12.091 2.950 1.00 0.00 H new ATOM 0 HB2 ARG A 142 -13.529 9.574 3.755 1.00 0.00 H new ATOM 0 HB3 ARG A 142 -14.869 9.695 2.632 1.00 0.00 H new ATOM 0 HG2 ARG A 142 -13.307 11.251 1.246 1.00 0.00 H new ATOM 0 HG3 ARG A 142 -12.015 10.620 2.248 1.00 0.00 H new ATOM 0 HD2 ARG A 142 -12.198 9.308 0.188 1.00 0.00 H new ATOM 0 HD3 ARG A 142 -12.589 8.310 1.574 1.00 0.00 H new ATOM 0 HE ARG A 142 -14.456 9.239 -0.527 1.00 0.00 H new ATOM 0 HH11 ARG A 142 -13.978 7.666 2.597 1.00 0.00 H new ATOM 0 HH12 ARG A 142 -15.552 6.865 2.565 1.00 0.00 H new ATOM 0 HH21 ARG A 142 -16.477 8.209 -0.560 1.00 0.00 H new ATOM 0 HH22 ARG A 142 -16.962 7.171 0.785 1.00 0.00 H new