USER MOD reduce.3.24.130724 H: found=0, std=0, add=667, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 665 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 NoAdj-H: A 39 HIS HD1 : A 39 HIS ND1 : A 201 ZNZN :(H bumps) USER MOD NoAdj-H: A 69 HIS HD1 : A 69 HIS ND1 : A 401 ZNZN :(H bumps) USER MOD Set 1.1: A 53 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 56 THR OG1 : rot 180:sc= -0.0431 USER MOD Set 2.1: A 46 SER OG : rot -98:sc= -0.732! USER MOD Set 2.2: A 65 TYR OH : rot 86:sc= 0.308 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 13:sc= 0.872 USER MOD Single : A 8 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 GLN : amide:sc= -0.807 K(o=-0.81,f=-1.5) USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 GLN : amide:sc= 0 X(o=0,f=-0.48) USER MOD Single : A 23 LYS NZ :NH3+ -112:sc= 1.33 (180deg=-0.243) USER MOD Single : A 24 THR OG1 : rot 180:sc= 0.00207 USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 MET CE :methyl -148:sc= 0 (180deg=-0.119) USER MOD Single : A 34 ASN : amide:sc= -2.27! K(o=-2.3!,f=-0.19) USER MOD Single : A 35 GLN : amide:sc= 0 X(o=0,f=-0.12) USER MOD Single : A 36 GLN : amide:sc= -3.87! C(o=-3.9!,f=-2.5!) USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 ASN : amide:sc= -0.0405 X(o=-0.04,f=-0.029) USER MOD Single : A 50 ASN : amide:sc= -1.19 K(o=-1.2,f=-0.57) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 61 HIS : no HD1:sc= -1.05 X(o=-1,f=-0.64) USER MOD Single : A 67 LYS NZ :NH3+ 138:sc= -0.559 (180deg=-1.47) USER MOD Single : A 71 ASN : amide:sc= -1.11 K(o=-1.1,f=-3.5) USER MOD Single : A 72 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 ASN : amide:sc= -0.037 X(o=-0.037,f=-0.48) USER MOD Single : A 80 TYR OH : rot 180:sc= 0 USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -24.969 -27.109 9.059 1.00 0.00 N ATOM 2 CA GLY A 1 -25.860 -26.163 9.703 1.00 0.00 C ATOM 3 C GLY A 1 -25.487 -24.723 9.412 1.00 0.00 C ATOM 4 O GLY A 1 -25.290 -23.927 10.331 1.00 0.00 O ATOM 0 H1 GLY A 1 -25.267 -28.078 9.289 1.00 0.00 H new ATOM 0 H2 GLY A 1 -25.003 -26.972 8.029 1.00 0.00 H new ATOM 0 H3 GLY A 1 -23.997 -26.956 9.397 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -26.881 -26.345 9.368 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -25.843 -26.329 10.780 1.00 0.00 H new ATOM 8 N SER A 2 -25.387 -24.386 8.130 1.00 0.00 N ATOM 9 CA SER A 2 -25.029 -23.034 7.720 1.00 0.00 C ATOM 10 C SER A 2 -25.306 -22.825 6.235 1.00 0.00 C ATOM 11 O SER A 2 -25.121 -23.732 5.424 1.00 0.00 O ATOM 12 CB SER A 2 -23.553 -22.762 8.018 1.00 0.00 C ATOM 13 OG SER A 2 -23.281 -21.371 8.019 1.00 0.00 O ATOM 0 H SER A 2 -25.549 -25.032 7.357 1.00 0.00 H new ATOM 0 HA SER A 2 -25.642 -22.335 8.288 1.00 0.00 H new ATOM 0 HB2 SER A 2 -23.290 -23.188 8.986 1.00 0.00 H new ATOM 0 HB3 SER A 2 -22.931 -23.257 7.272 1.00 0.00 H new ATOM 0 HG SER A 2 -22.332 -21.223 8.214 1.00 0.00 H new ATOM 19 N SER A 3 -25.752 -21.622 5.886 1.00 0.00 N ATOM 20 CA SER A 3 -26.059 -21.293 4.499 1.00 0.00 C ATOM 21 C SER A 3 -25.778 -19.821 4.214 1.00 0.00 C ATOM 22 O SER A 3 -25.668 -19.010 5.133 1.00 0.00 O ATOM 23 CB SER A 3 -27.523 -21.614 4.189 1.00 0.00 C ATOM 24 OG SER A 3 -28.393 -20.938 5.080 1.00 0.00 O ATOM 0 H SER A 3 -25.909 -20.859 6.545 1.00 0.00 H new ATOM 0 HA SER A 3 -25.418 -21.898 3.858 1.00 0.00 H new ATOM 0 HB2 SER A 3 -27.752 -21.326 3.163 1.00 0.00 H new ATOM 0 HB3 SER A 3 -27.686 -22.689 4.262 1.00 0.00 H new ATOM 0 HG SER A 3 -29.322 -21.158 4.860 1.00 0.00 H new ATOM 30 N GLY A 4 -25.663 -19.484 2.933 1.00 0.00 N ATOM 31 CA GLY A 4 -25.396 -18.110 2.549 1.00 0.00 C ATOM 32 C GLY A 4 -26.195 -17.682 1.334 1.00 0.00 C ATOM 33 O GLY A 4 -25.941 -18.143 0.222 1.00 0.00 O ATOM 0 H GLY A 4 -25.750 -20.138 2.155 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -25.630 -17.450 3.385 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -24.333 -17.995 2.340 1.00 0.00 H new ATOM 37 N SER A 5 -27.165 -16.798 1.547 1.00 0.00 N ATOM 38 CA SER A 5 -28.007 -16.312 0.461 1.00 0.00 C ATOM 39 C SER A 5 -27.703 -14.849 0.151 1.00 0.00 C ATOM 40 O SER A 5 -27.479 -14.045 1.055 1.00 0.00 O ATOM 41 CB SER A 5 -29.485 -16.471 0.823 1.00 0.00 C ATOM 42 OG SER A 5 -30.317 -15.866 -0.151 1.00 0.00 O ATOM 0 H SER A 5 -27.387 -16.404 2.461 1.00 0.00 H new ATOM 0 HA SER A 5 -27.791 -16.906 -0.427 1.00 0.00 H new ATOM 0 HB2 SER A 5 -29.730 -17.530 0.908 1.00 0.00 H new ATOM 0 HB3 SER A 5 -29.674 -16.021 1.798 1.00 0.00 H new ATOM 0 HG SER A 5 -31.256 -15.983 0.103 1.00 0.00 H new ATOM 48 N SER A 6 -27.698 -14.512 -1.135 1.00 0.00 N ATOM 49 CA SER A 6 -27.419 -13.147 -1.566 1.00 0.00 C ATOM 50 C SER A 6 -27.979 -12.893 -2.962 1.00 0.00 C ATOM 51 O SER A 6 -28.478 -13.806 -3.619 1.00 0.00 O ATOM 52 CB SER A 6 -25.911 -12.885 -1.554 1.00 0.00 C ATOM 53 OG SER A 6 -25.427 -12.754 -0.229 1.00 0.00 O ATOM 0 H SER A 6 -27.884 -15.165 -1.896 1.00 0.00 H new ATOM 0 HA SER A 6 -27.905 -12.465 -0.869 1.00 0.00 H new ATOM 0 HB2 SER A 6 -25.393 -13.703 -2.055 1.00 0.00 H new ATOM 0 HB3 SER A 6 -25.692 -11.977 -2.116 1.00 0.00 H new ATOM 0 HG SER A 6 -26.113 -13.057 0.401 1.00 0.00 H new ATOM 59 N GLY A 7 -27.892 -11.644 -3.410 1.00 0.00 N ATOM 60 CA GLY A 7 -28.395 -11.290 -4.725 1.00 0.00 C ATOM 61 C GLY A 7 -28.455 -9.791 -4.938 1.00 0.00 C ATOM 62 O GLY A 7 -29.438 -9.145 -4.577 1.00 0.00 O ATOM 0 H GLY A 7 -27.482 -10.871 -2.886 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -27.757 -11.737 -5.487 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -29.391 -11.713 -4.856 1.00 0.00 H new ATOM 66 N MET A 8 -27.400 -9.236 -5.526 1.00 0.00 N ATOM 67 CA MET A 8 -27.337 -7.802 -5.786 1.00 0.00 C ATOM 68 C MET A 8 -27.012 -7.530 -7.252 1.00 0.00 C ATOM 69 O MET A 8 -26.408 -8.361 -7.929 1.00 0.00 O ATOM 70 CB MET A 8 -26.287 -7.145 -4.888 1.00 0.00 C ATOM 71 CG MET A 8 -26.694 -7.079 -3.425 1.00 0.00 C ATOM 72 SD MET A 8 -25.403 -6.386 -2.375 1.00 0.00 S ATOM 73 CE MET A 8 -25.365 -7.587 -1.047 1.00 0.00 C ATOM 0 H MET A 8 -26.578 -9.757 -5.831 1.00 0.00 H new ATOM 0 HA MET A 8 -28.314 -7.374 -5.563 1.00 0.00 H new ATOM 0 HB2 MET A 8 -25.352 -7.698 -4.972 1.00 0.00 H new ATOM 0 HB3 MET A 8 -26.093 -6.135 -5.249 1.00 0.00 H new ATOM 0 HG2 MET A 8 -27.597 -6.476 -3.330 1.00 0.00 H new ATOM 0 HG3 MET A 8 -26.942 -8.081 -3.075 1.00 0.00 H new ATOM 0 HE1 MET A 8 -24.612 -7.296 -0.315 1.00 0.00 H new ATOM 0 HE2 MET A 8 -26.342 -7.629 -0.566 1.00 0.00 H new ATOM 0 HE3 MET A 8 -25.118 -8.569 -1.451 1.00 0.00 H new ATOM 83 N LYS A 9 -27.417 -6.361 -7.735 1.00 0.00 N ATOM 84 CA LYS A 9 -27.169 -5.977 -9.120 1.00 0.00 C ATOM 85 C LYS A 9 -25.695 -6.146 -9.475 1.00 0.00 C ATOM 86 O LYS A 9 -24.826 -6.081 -8.606 1.00 0.00 O ATOM 87 CB LYS A 9 -27.599 -4.528 -9.354 1.00 0.00 C ATOM 88 CG LYS A 9 -26.785 -3.517 -8.565 1.00 0.00 C ATOM 89 CD LYS A 9 -27.527 -2.200 -8.414 1.00 0.00 C ATOM 90 CE LYS A 9 -27.422 -1.352 -9.672 1.00 0.00 C ATOM 91 NZ LYS A 9 -28.379 -0.212 -9.655 1.00 0.00 N ATOM 0 H LYS A 9 -27.919 -5.662 -7.188 1.00 0.00 H new ATOM 0 HA LYS A 9 -27.757 -6.631 -9.764 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -27.515 -4.300 -10.417 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -28.651 -4.422 -9.088 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -26.557 -3.922 -7.579 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -25.833 -3.344 -9.067 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -28.576 -2.396 -8.193 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -27.120 -1.648 -7.567 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -26.405 -0.971 -9.769 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -27.614 -1.974 -10.546 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -28.276 0.341 -10.530 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -29.351 -0.576 -9.588 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -28.180 0.396 -8.835 1.00 0.00 H new ATOM 105 N PHE A 10 -25.421 -6.360 -10.758 1.00 0.00 N ATOM 106 CA PHE A 10 -24.052 -6.537 -11.227 1.00 0.00 C ATOM 107 C PHE A 10 -23.992 -6.512 -12.752 1.00 0.00 C ATOM 108 O PHE A 10 -24.948 -6.895 -13.426 1.00 0.00 O ATOM 109 CB PHE A 10 -23.477 -7.855 -10.704 1.00 0.00 C ATOM 110 CG PHE A 10 -24.043 -9.068 -11.385 1.00 0.00 C ATOM 111 CD1 PHE A 10 -23.445 -9.583 -12.523 1.00 0.00 C ATOM 112 CD2 PHE A 10 -25.174 -9.694 -10.885 1.00 0.00 C ATOM 113 CE1 PHE A 10 -23.965 -10.698 -13.152 1.00 0.00 C ATOM 114 CE2 PHE A 10 -25.699 -10.810 -11.509 1.00 0.00 C ATOM 115 CZ PHE A 10 -25.092 -11.314 -12.643 1.00 0.00 C ATOM 0 H PHE A 10 -26.129 -6.415 -11.491 1.00 0.00 H new ATOM 0 HA PHE A 10 -23.454 -5.711 -10.844 1.00 0.00 H new ATOM 0 HB2 PHE A 10 -22.395 -7.847 -10.834 1.00 0.00 H new ATOM 0 HB3 PHE A 10 -23.669 -7.926 -9.633 1.00 0.00 H new ATOM 0 HD1 PHE A 10 -22.562 -9.108 -12.924 1.00 0.00 H new ATOM 0 HD2 PHE A 10 -25.651 -9.305 -9.997 1.00 0.00 H new ATOM 0 HE1 PHE A 10 -23.491 -11.088 -14.041 1.00 0.00 H new ATOM 0 HE2 PHE A 10 -26.582 -11.287 -11.111 1.00 0.00 H new ATOM 0 HZ PHE A 10 -25.498 -12.188 -13.131 1.00 0.00 H new ATOM 125 N GLN A 11 -22.863 -6.059 -13.287 1.00 0.00 N ATOM 126 CA GLN A 11 -22.680 -5.983 -14.732 1.00 0.00 C ATOM 127 C GLN A 11 -22.329 -7.350 -15.308 1.00 0.00 C ATOM 128 O GLN A 11 -21.281 -7.915 -14.998 1.00 0.00 O ATOM 129 CB GLN A 11 -21.582 -4.975 -15.075 1.00 0.00 C ATOM 130 CG GLN A 11 -22.012 -3.526 -14.907 1.00 0.00 C ATOM 131 CD GLN A 11 -22.350 -3.181 -13.470 1.00 0.00 C ATOM 132 OE1 GLN A 11 -21.595 -3.497 -12.549 1.00 0.00 O ATOM 133 NE2 GLN A 11 -23.489 -2.530 -13.269 1.00 0.00 N ATOM 0 H GLN A 11 -22.062 -5.739 -12.743 1.00 0.00 H new ATOM 0 HA GLN A 11 -23.619 -5.652 -15.176 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -20.716 -5.164 -14.441 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -21.264 -5.134 -16.105 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -21.213 -2.871 -15.256 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -22.880 -3.333 -15.537 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -24.085 -2.288 -14.061 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -23.769 -2.272 -12.323 1.00 0.00 H new ATOM 142 N ALA A 12 -23.214 -7.877 -16.148 1.00 0.00 N ATOM 143 CA ALA A 12 -22.997 -9.178 -16.770 1.00 0.00 C ATOM 144 C ALA A 12 -21.523 -9.392 -17.096 1.00 0.00 C ATOM 145 O ALA A 12 -20.886 -10.331 -16.619 1.00 0.00 O ATOM 146 CB ALA A 12 -23.842 -9.310 -18.028 1.00 0.00 C ATOM 0 H ALA A 12 -24.088 -7.423 -16.414 1.00 0.00 H new ATOM 0 HA ALA A 12 -23.300 -9.947 -16.060 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -23.670 -10.286 -18.481 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -24.896 -9.211 -17.770 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -23.566 -8.528 -18.735 1.00 0.00 H new ATOM 152 N PRO A 13 -20.965 -8.500 -17.929 1.00 0.00 N ATOM 153 CA PRO A 13 -19.559 -8.570 -18.337 1.00 0.00 C ATOM 154 C PRO A 13 -18.606 -8.244 -17.193 1.00 0.00 C ATOM 155 O PRO A 13 -18.561 -7.112 -16.713 1.00 0.00 O ATOM 156 CB PRO A 13 -19.456 -7.511 -19.437 1.00 0.00 C ATOM 157 CG PRO A 13 -20.549 -6.544 -19.136 1.00 0.00 C ATOM 158 CD PRO A 13 -21.664 -7.354 -18.535 1.00 0.00 C ATOM 0 HA PRO A 13 -19.279 -9.572 -18.663 1.00 0.00 H new ATOM 0 HB2 PRO A 13 -18.482 -7.023 -19.426 1.00 0.00 H new ATOM 0 HB3 PRO A 13 -19.580 -7.954 -20.425 1.00 0.00 H new ATOM 0 HG2 PRO A 13 -20.209 -5.774 -18.444 1.00 0.00 H new ATOM 0 HG3 PRO A 13 -20.880 -6.035 -20.041 1.00 0.00 H new ATOM 0 HD2 PRO A 13 -22.220 -6.783 -17.791 1.00 0.00 H new ATOM 0 HD3 PRO A 13 -22.381 -7.675 -19.291 1.00 0.00 H new ATOM 166 N ALA A 14 -17.844 -9.244 -16.760 1.00 0.00 N ATOM 167 CA ALA A 14 -16.890 -9.063 -15.673 1.00 0.00 C ATOM 168 C ALA A 14 -16.214 -7.698 -15.759 1.00 0.00 C ATOM 169 O ALA A 14 -15.390 -7.458 -16.641 1.00 0.00 O ATOM 170 CB ALA A 14 -15.849 -10.172 -15.694 1.00 0.00 C ATOM 0 H ALA A 14 -17.869 -10.188 -17.146 1.00 0.00 H new ATOM 0 HA ALA A 14 -17.436 -9.111 -14.731 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -15.143 -10.024 -14.877 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -16.343 -11.137 -15.577 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -15.314 -10.151 -16.644 1.00 0.00 H new ATOM 176 N ARG A 15 -16.568 -6.809 -14.836 1.00 0.00 N ATOM 177 CA ARG A 15 -15.996 -5.468 -14.809 1.00 0.00 C ATOM 178 C ARG A 15 -14.673 -5.457 -14.050 1.00 0.00 C ATOM 179 O ARG A 15 -14.228 -6.486 -13.543 1.00 0.00 O ATOM 180 CB ARG A 15 -16.975 -4.486 -14.163 1.00 0.00 C ATOM 181 CG ARG A 15 -17.005 -4.565 -12.646 1.00 0.00 C ATOM 182 CD ARG A 15 -17.961 -5.645 -12.163 1.00 0.00 C ATOM 183 NE ARG A 15 -17.381 -6.981 -12.277 1.00 0.00 N ATOM 184 CZ ARG A 15 -18.058 -8.099 -12.040 1.00 0.00 C ATOM 185 NH1 ARG A 15 -19.332 -8.042 -11.677 1.00 0.00 N ATOM 186 NH2 ARG A 15 -17.460 -9.277 -12.165 1.00 0.00 N ATOM 0 H ARG A 15 -17.247 -6.993 -14.098 1.00 0.00 H new ATOM 0 HA ARG A 15 -15.808 -5.159 -15.837 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -16.708 -3.472 -14.460 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -17.976 -4.678 -14.548 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -16.002 -4.771 -12.271 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -17.306 -3.601 -12.236 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -18.229 -5.454 -11.124 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -18.883 -5.599 -12.743 1.00 0.00 H new ATOM 0 HE ARG A 15 -16.402 -7.060 -12.554 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -19.794 -7.138 -11.579 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -19.850 -8.902 -11.496 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -16.480 -9.324 -12.443 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -17.981 -10.135 -11.983 1.00 0.00 H new ATOM 200 N GLU A 16 -14.048 -4.285 -13.977 1.00 0.00 N ATOM 201 CA GLU A 16 -12.775 -4.141 -13.281 1.00 0.00 C ATOM 202 C GLU A 16 -12.988 -3.641 -11.855 1.00 0.00 C ATOM 203 O GLU A 16 -13.901 -2.858 -11.589 1.00 0.00 O ATOM 204 CB GLU A 16 -11.860 -3.178 -14.040 1.00 0.00 C ATOM 205 CG GLU A 16 -11.596 -3.595 -15.477 1.00 0.00 C ATOM 206 CD GLU A 16 -12.615 -3.028 -16.445 1.00 0.00 C ATOM 207 OE1 GLU A 16 -12.835 -1.798 -16.423 1.00 0.00 O ATOM 208 OE2 GLU A 16 -13.194 -3.813 -17.225 1.00 0.00 O ATOM 0 H GLU A 16 -14.403 -3.423 -14.391 1.00 0.00 H new ATOM 0 HA GLU A 16 -12.301 -5.122 -13.236 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -12.308 -2.184 -14.035 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -10.909 -3.101 -13.512 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -10.599 -3.265 -15.770 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -11.604 -4.683 -15.543 1.00 0.00 H new ATOM 215 N THR A 17 -12.139 -4.098 -10.940 1.00 0.00 N ATOM 216 CA THR A 17 -12.234 -3.699 -9.542 1.00 0.00 C ATOM 217 C THR A 17 -10.887 -3.218 -9.014 1.00 0.00 C ATOM 218 O THR A 17 -9.836 -3.711 -9.424 1.00 0.00 O ATOM 219 CB THR A 17 -12.734 -4.859 -8.659 1.00 0.00 C ATOM 220 OG1 THR A 17 -13.573 -5.730 -9.425 1.00 0.00 O ATOM 221 CG2 THR A 17 -13.503 -4.332 -7.458 1.00 0.00 C ATOM 0 H THR A 17 -11.377 -4.745 -11.143 1.00 0.00 H new ATOM 0 HA THR A 17 -12.952 -2.881 -9.496 1.00 0.00 H new ATOM 0 HB THR A 17 -11.867 -5.413 -8.300 1.00 0.00 H new ATOM 0 HG1 THR A 17 -13.885 -6.466 -8.858 1.00 0.00 H new ATOM 0 HG21 THR A 17 -13.846 -5.169 -6.850 1.00 0.00 H new ATOM 0 HG22 THR A 17 -12.852 -3.692 -6.862 1.00 0.00 H new ATOM 0 HG23 THR A 17 -14.363 -3.756 -7.801 1.00 0.00 H new ATOM 229 N CYS A 18 -10.925 -2.252 -8.102 1.00 0.00 N ATOM 230 CA CYS A 18 -9.707 -1.704 -7.517 1.00 0.00 C ATOM 231 C CYS A 18 -9.089 -2.686 -6.527 1.00 0.00 C ATOM 232 O CYS A 18 -9.764 -3.182 -5.624 1.00 0.00 O ATOM 233 CB CYS A 18 -10.005 -0.376 -6.818 1.00 0.00 C ATOM 234 SG CYS A 18 -8.535 0.443 -6.121 1.00 0.00 S ATOM 0 H CYS A 18 -11.786 -1.833 -7.752 1.00 0.00 H new ATOM 0 HA CYS A 18 -8.993 -1.531 -8.322 1.00 0.00 H new ATOM 0 HB2 CYS A 18 -10.480 0.299 -7.530 1.00 0.00 H new ATOM 0 HB3 CYS A 18 -10.724 -0.552 -6.017 1.00 0.00 H new ATOM 239 N VAL A 19 -7.801 -2.963 -6.702 1.00 0.00 N ATOM 240 CA VAL A 19 -7.091 -3.885 -5.823 1.00 0.00 C ATOM 241 C VAL A 19 -6.593 -3.175 -4.569 1.00 0.00 C ATOM 242 O VAL A 19 -5.745 -3.695 -3.845 1.00 0.00 O ATOM 243 CB VAL A 19 -5.894 -4.535 -6.541 1.00 0.00 C ATOM 244 CG1 VAL A 19 -6.366 -5.348 -7.737 1.00 0.00 C ATOM 245 CG2 VAL A 19 -4.890 -3.475 -6.969 1.00 0.00 C ATOM 0 H VAL A 19 -7.228 -2.562 -7.444 1.00 0.00 H new ATOM 0 HA VAL A 19 -7.801 -4.662 -5.539 1.00 0.00 H new ATOM 0 HB VAL A 19 -5.399 -5.212 -5.845 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -5.506 -5.800 -8.232 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -7.044 -6.132 -7.399 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -6.887 -4.695 -8.438 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -4.051 -3.952 -7.475 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -5.371 -2.772 -7.649 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -4.528 -2.941 -6.090 1.00 0.00 H new ATOM 255 N GLU A 20 -7.127 -1.983 -4.319 1.00 0.00 N ATOM 256 CA GLU A 20 -6.735 -1.202 -3.151 1.00 0.00 C ATOM 257 C GLU A 20 -7.903 -1.053 -2.180 1.00 0.00 C ATOM 258 O GLU A 20 -7.781 -1.358 -0.993 1.00 0.00 O ATOM 259 CB GLU A 20 -6.234 0.179 -3.579 1.00 0.00 C ATOM 260 CG GLU A 20 -5.101 0.129 -4.590 1.00 0.00 C ATOM 261 CD GLU A 20 -3.734 0.121 -3.934 1.00 0.00 C ATOM 262 OE1 GLU A 20 -3.388 -0.897 -3.297 1.00 0.00 O ATOM 263 OE2 GLU A 20 -3.010 1.131 -4.056 1.00 0.00 O ATOM 0 H GLU A 20 -7.831 -1.538 -4.908 1.00 0.00 H new ATOM 0 HA GLU A 20 -5.929 -1.732 -2.644 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -7.065 0.742 -4.005 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -5.899 0.724 -2.697 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -5.209 -0.763 -5.207 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -5.175 0.989 -5.256 1.00 0.00 H new ATOM 270 N CYS A 21 -9.035 -0.581 -2.692 1.00 0.00 N ATOM 271 CA CYS A 21 -10.225 -0.390 -1.872 1.00 0.00 C ATOM 272 C CYS A 21 -11.286 -1.436 -2.201 1.00 0.00 C ATOM 273 O CYS A 21 -12.229 -1.638 -1.437 1.00 0.00 O ATOM 274 CB CYS A 21 -10.795 1.014 -2.084 1.00 0.00 C ATOM 275 SG CYS A 21 -11.190 1.403 -3.819 1.00 0.00 S ATOM 0 H CYS A 21 -9.153 -0.324 -3.672 1.00 0.00 H new ATOM 0 HA CYS A 21 -9.938 -0.505 -0.827 1.00 0.00 H new ATOM 0 HB2 CYS A 21 -11.699 1.122 -1.484 1.00 0.00 H new ATOM 0 HB3 CYS A 21 -10.077 1.746 -1.713 1.00 0.00 H new ATOM 280 N GLN A 22 -11.122 -2.099 -3.341 1.00 0.00 N ATOM 281 CA GLN A 22 -12.066 -3.124 -3.771 1.00 0.00 C ATOM 282 C GLN A 22 -13.389 -2.500 -4.202 1.00 0.00 C ATOM 283 O GLN A 22 -14.462 -2.955 -3.805 1.00 0.00 O ATOM 284 CB GLN A 22 -12.307 -4.129 -2.643 1.00 0.00 C ATOM 285 CG GLN A 22 -11.029 -4.617 -1.979 1.00 0.00 C ATOM 286 CD GLN A 22 -10.119 -5.358 -2.938 1.00 0.00 C ATOM 287 OE1 GLN A 22 -10.584 -6.015 -3.871 1.00 0.00 O ATOM 288 NE2 GLN A 22 -8.814 -5.257 -2.715 1.00 0.00 N ATOM 0 H GLN A 22 -10.345 -1.945 -3.983 1.00 0.00 H new ATOM 0 HA GLN A 22 -11.635 -3.644 -4.627 1.00 0.00 H new ATOM 0 HB2 GLN A 22 -12.946 -3.670 -1.889 1.00 0.00 H new ATOM 0 HB3 GLN A 22 -12.850 -4.986 -3.041 1.00 0.00 H new ATOM 0 HG2 GLN A 22 -10.493 -3.765 -1.561 1.00 0.00 H new ATOM 0 HG3 GLN A 22 -11.284 -5.273 -1.146 1.00 0.00 H new ATOM 0 HE21 GLN A 22 -8.472 -4.702 -1.930 1.00 0.00 H new ATOM 0 HE22 GLN A 22 -8.153 -5.734 -3.328 1.00 0.00 H new ATOM 297 N LYS A 23 -13.306 -1.455 -5.019 1.00 0.00 N ATOM 298 CA LYS A 23 -14.496 -0.767 -5.506 1.00 0.00 C ATOM 299 C LYS A 23 -14.543 -0.777 -7.031 1.00 0.00 C ATOM 300 O LYS A 23 -13.539 -0.516 -7.696 1.00 0.00 O ATOM 301 CB LYS A 23 -14.523 0.674 -4.993 1.00 0.00 C ATOM 302 CG LYS A 23 -15.191 0.825 -3.637 1.00 0.00 C ATOM 303 CD LYS A 23 -14.402 0.120 -2.546 1.00 0.00 C ATOM 304 CE LYS A 23 -14.927 0.473 -1.163 1.00 0.00 C ATOM 305 NZ LYS A 23 -14.258 -0.321 -0.096 1.00 0.00 N ATOM 0 H LYS A 23 -12.426 -1.066 -5.358 1.00 0.00 H new ATOM 0 HA LYS A 23 -15.372 -1.296 -5.129 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -13.501 1.047 -4.929 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -15.045 1.299 -5.717 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -15.286 1.883 -3.393 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -16.200 0.416 -3.680 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -14.458 -0.958 -2.694 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -13.350 0.397 -2.619 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -14.772 1.536 -0.976 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -16.002 0.297 -1.127 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -14.943 -0.978 0.329 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -13.470 -0.860 -0.507 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -13.893 0.320 0.637 1.00 0.00 H new ATOM 319 N THR A 24 -15.716 -1.076 -7.580 1.00 0.00 N ATOM 320 CA THR A 24 -15.894 -1.119 -9.026 1.00 0.00 C ATOM 321 C THR A 24 -15.192 0.054 -9.701 1.00 0.00 C ATOM 322 O THR A 24 -15.705 1.172 -9.717 1.00 0.00 O ATOM 323 CB THR A 24 -17.386 -1.099 -9.409 1.00 0.00 C ATOM 324 OG1 THR A 24 -18.099 -2.082 -8.652 1.00 0.00 O ATOM 325 CG2 THR A 24 -17.566 -1.367 -10.896 1.00 0.00 C ATOM 0 H THR A 24 -16.557 -1.292 -7.045 1.00 0.00 H new ATOM 0 HA THR A 24 -15.450 -2.053 -9.372 1.00 0.00 H new ATOM 0 HB THR A 24 -17.784 -0.109 -9.184 1.00 0.00 H new ATOM 0 HG1 THR A 24 -19.047 -2.062 -8.900 1.00 0.00 H new ATOM 0 HG21 THR A 24 -18.627 -1.348 -11.143 1.00 0.00 H new ATOM 0 HG22 THR A 24 -17.046 -0.600 -11.470 1.00 0.00 H new ATOM 0 HG23 THR A 24 -17.154 -2.346 -11.142 1.00 0.00 H new ATOM 333 N VAL A 25 -14.014 -0.210 -10.260 1.00 0.00 N ATOM 334 CA VAL A 25 -13.242 0.824 -10.939 1.00 0.00 C ATOM 335 C VAL A 25 -13.923 1.259 -12.232 1.00 0.00 C ATOM 336 O VAL A 25 -14.336 0.426 -13.039 1.00 0.00 O ATOM 337 CB VAL A 25 -11.816 0.339 -11.261 1.00 0.00 C ATOM 338 CG1 VAL A 25 -11.092 1.352 -12.135 1.00 0.00 C ATOM 339 CG2 VAL A 25 -11.041 0.079 -9.978 1.00 0.00 C ATOM 0 H VAL A 25 -13.574 -1.130 -10.256 1.00 0.00 H new ATOM 0 HA VAL A 25 -13.184 1.674 -10.259 1.00 0.00 H new ATOM 0 HB VAL A 25 -11.885 -0.598 -11.814 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -10.086 0.992 -12.352 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -11.639 1.484 -13.068 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -11.031 2.306 -11.612 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -10.036 -0.263 -10.223 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -10.980 0.999 -9.397 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -11.552 -0.686 -9.393 1.00 0.00 H new ATOM 349 N TYR A 26 -14.037 2.568 -12.423 1.00 0.00 N ATOM 350 CA TYR A 26 -14.669 3.115 -13.617 1.00 0.00 C ATOM 351 C TYR A 26 -13.682 3.171 -14.779 1.00 0.00 C ATOM 352 O TYR A 26 -12.467 3.094 -14.599 1.00 0.00 O ATOM 353 CB TYR A 26 -15.221 4.513 -13.333 1.00 0.00 C ATOM 354 CG TYR A 26 -16.668 4.515 -12.893 1.00 0.00 C ATOM 355 CD1 TYR A 26 -17.098 3.701 -11.852 1.00 0.00 C ATOM 356 CD2 TYR A 26 -17.604 5.330 -13.517 1.00 0.00 C ATOM 357 CE1 TYR A 26 -18.419 3.699 -11.447 1.00 0.00 C ATOM 358 CE2 TYR A 26 -18.926 5.336 -13.117 1.00 0.00 C ATOM 359 CZ TYR A 26 -19.329 4.519 -12.082 1.00 0.00 C ATOM 360 OH TYR A 26 -20.645 4.520 -11.682 1.00 0.00 O ATOM 0 H TYR A 26 -13.700 3.271 -11.765 1.00 0.00 H new ATOM 0 HA TYR A 26 -15.492 2.457 -13.895 1.00 0.00 H new ATOM 0 HB2 TYR A 26 -14.614 4.984 -12.560 1.00 0.00 H new ATOM 0 HB3 TYR A 26 -15.122 5.123 -14.231 1.00 0.00 H new ATOM 0 HD1 TYR A 26 -16.388 3.059 -11.351 1.00 0.00 H new ATOM 0 HD2 TYR A 26 -17.293 5.970 -14.329 1.00 0.00 H new ATOM 0 HE1 TYR A 26 -18.738 3.059 -10.638 1.00 0.00 H new ATOM 0 HE2 TYR A 26 -19.640 5.977 -13.612 1.00 0.00 H new ATOM 0 HH TYR A 26 -21.153 5.154 -12.230 1.00 0.00 H new ATOM 370 N PRO A 27 -14.217 3.311 -16.002 1.00 0.00 N ATOM 371 CA PRO A 27 -13.402 3.382 -17.218 1.00 0.00 C ATOM 372 C PRO A 27 -12.610 4.682 -17.309 1.00 0.00 C ATOM 373 O PRO A 27 -11.946 4.946 -18.311 1.00 0.00 O ATOM 374 CB PRO A 27 -14.437 3.307 -18.343 1.00 0.00 C ATOM 375 CG PRO A 27 -15.695 3.823 -17.735 1.00 0.00 C ATOM 376 CD PRO A 27 -15.657 3.410 -16.290 1.00 0.00 C ATOM 0 HA PRO A 27 -12.654 2.590 -17.255 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -14.135 3.910 -19.200 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -14.560 2.285 -18.700 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -15.758 4.907 -17.829 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -16.569 3.408 -18.236 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -16.146 4.144 -15.649 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -16.165 2.459 -16.130 1.00 0.00 H new ATOM 384 N MET A 28 -12.683 5.490 -16.256 1.00 0.00 N ATOM 385 CA MET A 28 -11.970 6.761 -16.218 1.00 0.00 C ATOM 386 C MET A 28 -10.924 6.765 -15.108 1.00 0.00 C ATOM 387 O MET A 28 -9.894 7.428 -15.217 1.00 0.00 O ATOM 388 CB MET A 28 -12.954 7.915 -16.012 1.00 0.00 C ATOM 389 CG MET A 28 -13.954 8.071 -17.146 1.00 0.00 C ATOM 390 SD MET A 28 -13.348 9.139 -18.466 1.00 0.00 S ATOM 391 CE MET A 28 -13.540 10.752 -17.711 1.00 0.00 C ATOM 0 H MET A 28 -13.228 5.287 -15.418 1.00 0.00 H new ATOM 0 HA MET A 28 -11.461 6.893 -17.173 1.00 0.00 H new ATOM 0 HB2 MET A 28 -13.496 7.757 -15.080 1.00 0.00 H new ATOM 0 HB3 MET A 28 -12.394 8.844 -15.902 1.00 0.00 H new ATOM 0 HG2 MET A 28 -14.187 7.089 -17.557 1.00 0.00 H new ATOM 0 HG3 MET A 28 -14.884 8.480 -16.751 1.00 0.00 H new ATOM 0 HE1 MET A 28 -13.767 11.489 -18.481 1.00 0.00 H new ATOM 0 HE2 MET A 28 -14.355 10.720 -16.987 1.00 0.00 H new ATOM 0 HE3 MET A 28 -12.615 11.029 -17.204 1.00 0.00 H new ATOM 401 N GLU A 29 -11.197 6.021 -14.041 1.00 0.00 N ATOM 402 CA GLU A 29 -10.279 5.940 -12.911 1.00 0.00 C ATOM 403 C GLU A 29 -9.392 4.703 -13.018 1.00 0.00 C ATOM 404 O GLU A 29 -8.388 4.583 -12.315 1.00 0.00 O ATOM 405 CB GLU A 29 -11.057 5.912 -11.594 1.00 0.00 C ATOM 406 CG GLU A 29 -12.262 6.837 -11.579 1.00 0.00 C ATOM 407 CD GLU A 29 -11.934 8.214 -11.034 1.00 0.00 C ATOM 408 OE1 GLU A 29 -11.172 8.296 -10.049 1.00 0.00 O ATOM 409 OE2 GLU A 29 -12.440 9.209 -11.594 1.00 0.00 O ATOM 0 H GLU A 29 -12.046 5.466 -13.935 1.00 0.00 H new ATOM 0 HA GLU A 29 -9.642 6.824 -12.929 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -11.390 4.892 -11.400 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -10.387 6.189 -10.780 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -12.653 6.935 -12.592 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -13.051 6.390 -10.975 1.00 0.00 H new ATOM 416 N ARG A 30 -9.771 3.785 -13.901 1.00 0.00 N ATOM 417 CA ARG A 30 -9.013 2.556 -14.098 1.00 0.00 C ATOM 418 C ARG A 30 -7.569 2.864 -14.484 1.00 0.00 C ATOM 419 O ARG A 30 -7.299 3.348 -15.584 1.00 0.00 O ATOM 420 CB ARG A 30 -9.668 1.695 -15.180 1.00 0.00 C ATOM 421 CG ARG A 30 -8.936 0.390 -15.447 1.00 0.00 C ATOM 422 CD ARG A 30 -9.347 -0.217 -16.779 1.00 0.00 C ATOM 423 NE ARG A 30 -8.621 -1.452 -17.065 1.00 0.00 N ATOM 424 CZ ARG A 30 -7.423 -1.484 -17.638 1.00 0.00 C ATOM 425 NH1 ARG A 30 -6.819 -0.355 -17.983 1.00 0.00 N ATOM 426 NH2 ARG A 30 -6.826 -2.646 -17.866 1.00 0.00 N ATOM 0 H ARG A 30 -10.599 3.869 -14.491 1.00 0.00 H new ATOM 0 HA ARG A 30 -9.011 2.006 -13.157 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -10.693 1.473 -14.884 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -9.721 2.268 -16.106 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -7.861 0.568 -15.443 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -9.145 -0.317 -14.644 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -10.418 -0.420 -16.770 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -9.166 0.503 -17.577 1.00 0.00 H new ATOM 0 HE ARG A 30 -9.058 -2.338 -16.811 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -7.274 0.541 -17.809 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -5.899 -0.383 -18.423 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -7.287 -3.517 -17.601 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -5.906 -2.669 -18.306 1.00 0.00 H new ATOM 440 N LEU A 31 -6.645 2.581 -13.573 1.00 0.00 N ATOM 441 CA LEU A 31 -5.228 2.828 -13.817 1.00 0.00 C ATOM 442 C LEU A 31 -4.434 1.527 -13.777 1.00 0.00 C ATOM 443 O LEU A 31 -4.305 0.897 -12.726 1.00 0.00 O ATOM 444 CB LEU A 31 -4.675 3.808 -12.781 1.00 0.00 C ATOM 445 CG LEU A 31 -3.180 4.115 -12.878 1.00 0.00 C ATOM 446 CD1 LEU A 31 -2.915 5.580 -12.567 1.00 0.00 C ATOM 447 CD2 LEU A 31 -2.390 3.217 -11.937 1.00 0.00 C ATOM 0 H LEU A 31 -6.851 2.180 -12.658 1.00 0.00 H new ATOM 0 HA LEU A 31 -5.126 3.264 -14.811 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -5.224 4.745 -12.868 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -4.880 3.409 -11.787 1.00 0.00 H new ATOM 0 HG LEU A 31 -2.853 3.916 -13.899 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -1.846 5.780 -12.641 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -3.451 6.206 -13.280 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -3.257 5.805 -11.557 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -1.328 3.449 -12.019 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -2.720 3.384 -10.912 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -2.555 2.174 -12.206 1.00 0.00 H new ATOM 459 N LEU A 32 -3.900 1.130 -14.927 1.00 0.00 N ATOM 460 CA LEU A 32 -3.115 -0.096 -15.024 1.00 0.00 C ATOM 461 C LEU A 32 -1.780 0.054 -14.303 1.00 0.00 C ATOM 462 O LEU A 32 -0.950 0.882 -14.678 1.00 0.00 O ATOM 463 CB LEU A 32 -2.877 -0.457 -16.492 1.00 0.00 C ATOM 464 CG LEU A 32 -2.773 -1.950 -16.806 1.00 0.00 C ATOM 465 CD1 LEU A 32 -1.743 -2.615 -15.906 1.00 0.00 C ATOM 466 CD2 LEU A 32 -4.129 -2.623 -16.656 1.00 0.00 C ATOM 0 H LEU A 32 -3.996 1.639 -15.805 1.00 0.00 H new ATOM 0 HA LEU A 32 -3.677 -0.898 -14.545 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -3.689 -0.037 -17.085 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -1.958 0.028 -16.821 1.00 0.00 H new ATOM 0 HG LEU A 32 -2.447 -2.062 -17.840 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -1.683 -3.677 -16.144 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -0.769 -2.152 -16.064 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -2.038 -2.493 -14.864 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -4.035 -3.685 -16.883 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -4.485 -2.501 -15.633 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -4.840 -2.166 -17.344 1.00 0.00 H new ATOM 478 N ALA A 33 -1.579 -0.753 -13.266 1.00 0.00 N ATOM 479 CA ALA A 33 -0.343 -0.713 -12.495 1.00 0.00 C ATOM 480 C ALA A 33 0.098 -2.116 -12.093 1.00 0.00 C ATOM 481 O ALA A 33 -0.519 -2.750 -11.238 1.00 0.00 O ATOM 482 CB ALA A 33 -0.519 0.160 -11.262 1.00 0.00 C ATOM 0 H ALA A 33 -2.257 -1.442 -12.941 1.00 0.00 H new ATOM 0 HA ALA A 33 0.436 -0.282 -13.124 1.00 0.00 H new ATOM 0 HB1 ALA A 33 0.412 0.181 -10.695 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -0.781 1.173 -11.568 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -1.315 -0.248 -10.638 1.00 0.00 H new ATOM 488 N ASN A 34 1.170 -2.595 -12.715 1.00 0.00 N ATOM 489 CA ASN A 34 1.694 -3.925 -12.423 1.00 0.00 C ATOM 490 C ASN A 34 0.713 -5.006 -12.869 1.00 0.00 C ATOM 491 O ASN A 34 0.509 -5.997 -12.169 1.00 0.00 O ATOM 492 CB ASN A 34 1.979 -4.065 -10.926 1.00 0.00 C ATOM 493 CG ASN A 34 3.118 -5.026 -10.643 1.00 0.00 C ATOM 494 OD1 ASN A 34 3.050 -6.206 -10.986 1.00 0.00 O ATOM 495 ND2 ASN A 34 4.173 -4.522 -10.012 1.00 0.00 N ATOM 0 H ASN A 34 1.693 -2.082 -13.425 1.00 0.00 H new ATOM 0 HA ASN A 34 2.624 -4.053 -12.977 1.00 0.00 H new ATOM 0 HB2 ASN A 34 2.221 -3.086 -10.512 1.00 0.00 H new ATOM 0 HB3 ASN A 34 1.079 -4.412 -10.418 1.00 0.00 H new ATOM 0 HD21 ASN A 34 4.970 -5.120 -9.793 1.00 0.00 H new ATOM 0 HD22 ASN A 34 4.186 -3.537 -9.746 1.00 0.00 H new ATOM 502 N GLN A 35 0.112 -4.806 -14.037 1.00 0.00 N ATOM 503 CA GLN A 35 -0.847 -5.764 -14.575 1.00 0.00 C ATOM 504 C GLN A 35 -2.047 -5.914 -13.646 1.00 0.00 C ATOM 505 O GLN A 35 -2.596 -7.005 -13.498 1.00 0.00 O ATOM 506 CB GLN A 35 -0.178 -7.123 -14.787 1.00 0.00 C ATOM 507 CG GLN A 35 1.019 -7.072 -15.723 1.00 0.00 C ATOM 508 CD GLN A 35 1.263 -8.390 -16.431 1.00 0.00 C ATOM 509 OE1 GLN A 35 0.366 -8.940 -17.070 1.00 0.00 O ATOM 510 NE2 GLN A 35 2.482 -8.905 -16.321 1.00 0.00 N ATOM 0 H GLN A 35 0.272 -3.990 -14.628 1.00 0.00 H new ATOM 0 HA GLN A 35 -1.199 -5.387 -15.535 1.00 0.00 H new ATOM 0 HB2 GLN A 35 0.142 -7.516 -13.822 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -0.912 -7.822 -15.187 1.00 0.00 H new ATOM 0 HG2 GLN A 35 0.862 -6.289 -16.465 1.00 0.00 H new ATOM 0 HG3 GLN A 35 1.908 -6.799 -15.155 1.00 0.00 H new ATOM 0 HE21 GLN A 35 3.196 -8.415 -15.781 1.00 0.00 H new ATOM 0 HE22 GLN A 35 2.705 -9.790 -16.776 1.00 0.00 H new ATOM 519 N GLN A 36 -2.448 -4.811 -13.022 1.00 0.00 N ATOM 520 CA GLN A 36 -3.582 -4.821 -12.107 1.00 0.00 C ATOM 521 C GLN A 36 -4.298 -3.474 -12.110 1.00 0.00 C ATOM 522 O GLN A 36 -3.681 -2.433 -12.336 1.00 0.00 O ATOM 523 CB GLN A 36 -3.118 -5.161 -10.689 1.00 0.00 C ATOM 524 CG GLN A 36 -3.089 -6.653 -10.400 1.00 0.00 C ATOM 525 CD GLN A 36 -3.238 -6.965 -8.924 1.00 0.00 C ATOM 526 OE1 GLN A 36 -2.315 -6.754 -8.137 1.00 0.00 O ATOM 527 NE2 GLN A 36 -4.405 -7.469 -8.540 1.00 0.00 N ATOM 0 H GLN A 36 -2.004 -3.899 -13.134 1.00 0.00 H new ATOM 0 HA GLN A 36 -4.282 -5.585 -12.446 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -2.121 -4.750 -10.534 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -3.779 -4.673 -9.973 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -3.891 -7.142 -10.953 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -2.150 -7.071 -10.763 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -5.143 -7.628 -9.226 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -4.564 -7.697 -7.559 1.00 0.00 H new ATOM 536 N VAL A 37 -5.603 -3.502 -11.860 1.00 0.00 N ATOM 537 CA VAL A 37 -6.402 -2.283 -11.834 1.00 0.00 C ATOM 538 C VAL A 37 -6.159 -1.494 -10.552 1.00 0.00 C ATOM 539 O VAL A 37 -6.123 -2.060 -9.459 1.00 0.00 O ATOM 540 CB VAL A 37 -7.906 -2.595 -11.954 1.00 0.00 C ATOM 541 CG1 VAL A 37 -8.724 -1.314 -11.892 1.00 0.00 C ATOM 542 CG2 VAL A 37 -8.190 -3.357 -13.240 1.00 0.00 C ATOM 0 H VAL A 37 -6.129 -4.355 -11.673 1.00 0.00 H new ATOM 0 HA VAL A 37 -6.093 -1.684 -12.690 1.00 0.00 H new ATOM 0 HB VAL A 37 -8.197 -3.224 -11.113 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -9.784 -1.554 -11.978 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -8.542 -0.812 -10.942 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -8.433 -0.657 -12.711 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -9.257 -3.569 -13.309 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -7.884 -2.754 -14.095 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -7.633 -4.294 -13.238 1.00 0.00 H new ATOM 552 N PHE A 38 -5.994 -0.183 -10.693 1.00 0.00 N ATOM 553 CA PHE A 38 -5.754 0.686 -9.547 1.00 0.00 C ATOM 554 C PHE A 38 -6.428 2.041 -9.740 1.00 0.00 C ATOM 555 O PHE A 38 -6.636 2.488 -10.868 1.00 0.00 O ATOM 556 CB PHE A 38 -4.252 0.877 -9.331 1.00 0.00 C ATOM 557 CG PHE A 38 -3.597 -0.273 -8.620 1.00 0.00 C ATOM 558 CD1 PHE A 38 -3.138 -1.372 -9.329 1.00 0.00 C ATOM 559 CD2 PHE A 38 -3.441 -0.256 -7.243 1.00 0.00 C ATOM 560 CE1 PHE A 38 -2.535 -2.432 -8.678 1.00 0.00 C ATOM 561 CE2 PHE A 38 -2.838 -1.313 -6.588 1.00 0.00 C ATOM 562 CZ PHE A 38 -2.386 -2.402 -7.306 1.00 0.00 C ATOM 0 H PHE A 38 -6.022 0.301 -11.590 1.00 0.00 H new ATOM 0 HA PHE A 38 -6.183 0.209 -8.666 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -3.769 1.018 -10.298 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -4.089 1.789 -8.757 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -3.253 -1.401 -10.403 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -3.794 0.592 -6.676 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -2.181 -3.282 -9.242 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -2.720 -1.287 -5.515 1.00 0.00 H new ATOM 0 HZ PHE A 38 -1.916 -3.229 -6.795 1.00 0.00 H new ATOM 572 N HIS A 39 -6.769 2.689 -8.631 1.00 0.00 N ATOM 573 CA HIS A 39 -7.420 3.994 -8.677 1.00 0.00 C ATOM 574 C HIS A 39 -6.386 5.116 -8.700 1.00 0.00 C ATOM 575 O HIS A 39 -5.516 5.189 -7.832 1.00 0.00 O ATOM 576 CB HIS A 39 -8.350 4.166 -7.476 1.00 0.00 C ATOM 577 CG HIS A 39 -9.757 3.725 -7.740 1.00 0.00 C ATOM 578 ND1 HIS A 39 -10.573 3.189 -6.766 1.00 0.00 N ATOM 579 CD2 HIS A 39 -10.492 3.744 -8.876 1.00 0.00 C ATOM 580 CE1 HIS A 39 -11.749 2.896 -7.292 1.00 0.00 C ATOM 581 NE2 HIS A 39 -11.726 3.224 -8.572 1.00 0.00 N ATOM 0 H HIS A 39 -6.606 2.332 -7.690 1.00 0.00 H new ATOM 0 HA HIS A 39 -8.009 4.047 -9.593 1.00 0.00 H new ATOM 0 HB2 HIS A 39 -7.952 3.599 -6.635 1.00 0.00 H new ATOM 0 HB3 HIS A 39 -8.356 5.215 -7.179 1.00 0.00 H new ATOM 0 HD2 HIS A 39 -10.168 4.102 -9.842 1.00 0.00 H new ATOM 0 HE1 HIS A 39 -12.586 2.462 -6.766 1.00 0.00 H new ATOM 0 HE2 HIS A 39 -12.499 3.110 -9.227 1.00 0.00 H new ATOM 589 N ILE A 40 -6.488 5.987 -9.698 1.00 0.00 N ATOM 590 CA ILE A 40 -5.563 7.105 -9.833 1.00 0.00 C ATOM 591 C ILE A 40 -5.280 7.751 -8.481 1.00 0.00 C ATOM 592 O ILE A 40 -4.256 8.409 -8.298 1.00 0.00 O ATOM 593 CB ILE A 40 -6.109 8.175 -10.796 1.00 0.00 C ATOM 594 CG1 ILE A 40 -6.024 7.683 -12.242 1.00 0.00 C ATOM 595 CG2 ILE A 40 -5.343 9.479 -10.629 1.00 0.00 C ATOM 596 CD1 ILE A 40 -7.282 6.992 -12.721 1.00 0.00 C ATOM 0 H ILE A 40 -7.202 5.940 -10.425 1.00 0.00 H new ATOM 0 HA ILE A 40 -4.637 6.700 -10.241 1.00 0.00 H new ATOM 0 HB ILE A 40 -7.156 8.358 -10.555 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -5.814 8.531 -12.894 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -5.184 6.995 -12.334 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -5.741 10.225 -11.317 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -5.451 9.836 -9.605 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -4.288 9.312 -10.846 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -7.149 6.670 -13.754 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -7.482 6.124 -12.093 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -8.122 7.684 -12.662 1.00 0.00 H new ATOM 608 N SER A 41 -6.194 7.556 -7.536 1.00 0.00 N ATOM 609 CA SER A 41 -6.044 8.121 -6.200 1.00 0.00 C ATOM 610 C SER A 41 -5.439 7.099 -5.242 1.00 0.00 C ATOM 611 O SER A 41 -4.464 7.384 -4.546 1.00 0.00 O ATOM 612 CB SER A 41 -7.398 8.595 -5.669 1.00 0.00 C ATOM 613 OG SER A 41 -7.932 9.627 -6.481 1.00 0.00 O ATOM 0 H SER A 41 -7.046 7.011 -7.671 1.00 0.00 H new ATOM 0 HA SER A 41 -5.369 8.974 -6.267 1.00 0.00 H new ATOM 0 HB2 SER A 41 -8.093 7.756 -5.637 1.00 0.00 H new ATOM 0 HB3 SER A 41 -7.285 8.954 -4.646 1.00 0.00 H new ATOM 0 HG SER A 41 -8.798 9.911 -6.121 1.00 0.00 H new ATOM 619 N CYS A 42 -6.024 5.907 -5.213 1.00 0.00 N ATOM 620 CA CYS A 42 -5.545 4.841 -4.341 1.00 0.00 C ATOM 621 C CYS A 42 -4.064 4.564 -4.584 1.00 0.00 C ATOM 622 O CYS A 42 -3.314 4.278 -3.651 1.00 0.00 O ATOM 623 CB CYS A 42 -6.358 3.564 -4.568 1.00 0.00 C ATOM 624 SG CYS A 42 -8.109 3.702 -4.086 1.00 0.00 S ATOM 0 H CYS A 42 -6.831 5.654 -5.783 1.00 0.00 H new ATOM 0 HA CYS A 42 -5.671 5.166 -3.308 1.00 0.00 H new ATOM 0 HB2 CYS A 42 -6.303 3.294 -5.622 1.00 0.00 H new ATOM 0 HB3 CYS A 42 -5.900 2.750 -4.006 1.00 0.00 H new ATOM 629 N PHE A 43 -3.650 4.651 -5.844 1.00 0.00 N ATOM 630 CA PHE A 43 -2.260 4.409 -6.210 1.00 0.00 C ATOM 631 C PHE A 43 -1.320 5.275 -5.377 1.00 0.00 C ATOM 632 O PHE A 43 -0.937 6.370 -5.791 1.00 0.00 O ATOM 633 CB PHE A 43 -2.046 4.691 -7.699 1.00 0.00 C ATOM 634 CG PHE A 43 -0.991 3.826 -8.327 1.00 0.00 C ATOM 635 CD1 PHE A 43 -0.976 2.458 -8.106 1.00 0.00 C ATOM 636 CD2 PHE A 43 -0.016 4.380 -9.140 1.00 0.00 C ATOM 637 CE1 PHE A 43 -0.005 1.660 -8.682 1.00 0.00 C ATOM 638 CE2 PHE A 43 0.957 3.587 -9.720 1.00 0.00 C ATOM 639 CZ PHE A 43 0.961 2.225 -9.491 1.00 0.00 C ATOM 0 H PHE A 43 -4.258 4.887 -6.628 1.00 0.00 H new ATOM 0 HA PHE A 43 -2.034 3.362 -6.009 1.00 0.00 H new ATOM 0 HB2 PHE A 43 -2.988 4.543 -8.228 1.00 0.00 H new ATOM 0 HB3 PHE A 43 -1.770 5.738 -7.826 1.00 0.00 H new ATOM 0 HD1 PHE A 43 -1.731 2.010 -7.477 1.00 0.00 H new ATOM 0 HD2 PHE A 43 -0.016 5.444 -9.323 1.00 0.00 H new ATOM 0 HE1 PHE A 43 -0.002 0.596 -8.499 1.00 0.00 H new ATOM 0 HE2 PHE A 43 1.712 4.032 -10.351 1.00 0.00 H new ATOM 0 HZ PHE A 43 1.719 1.603 -9.944 1.00 0.00 H new ATOM 649 N ARG A 44 -0.952 4.777 -4.201 1.00 0.00 N ATOM 650 CA ARG A 44 -0.058 5.506 -3.309 1.00 0.00 C ATOM 651 C ARG A 44 0.843 4.545 -2.539 1.00 0.00 C ATOM 652 O ARG A 44 0.457 3.412 -2.248 1.00 0.00 O ATOM 653 CB ARG A 44 -0.866 6.359 -2.329 1.00 0.00 C ATOM 654 CG ARG A 44 -2.032 7.090 -2.976 1.00 0.00 C ATOM 655 CD ARG A 44 -2.680 8.069 -2.009 1.00 0.00 C ATOM 656 NE ARG A 44 -3.535 9.032 -2.698 1.00 0.00 N ATOM 657 CZ ARG A 44 -3.857 10.219 -2.196 1.00 0.00 C ATOM 658 NH1 ARG A 44 -3.397 10.587 -1.008 1.00 0.00 N ATOM 659 NH2 ARG A 44 -4.641 11.040 -2.883 1.00 0.00 N ATOM 0 H ARG A 44 -1.259 3.872 -3.844 1.00 0.00 H new ATOM 0 HA ARG A 44 0.569 6.158 -3.917 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -1.246 5.720 -1.532 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -0.203 7.089 -1.864 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -1.683 7.626 -3.859 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -2.774 6.367 -3.315 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -3.271 7.518 -1.277 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -1.905 8.601 -1.458 1.00 0.00 H new ATOM 0 HE ARG A 44 -3.905 8.779 -3.614 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -2.794 9.958 -0.477 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -3.646 11.499 -0.625 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -4.997 10.760 -3.797 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -4.888 11.951 -2.497 1.00 0.00 H new ATOM 673 N CYS A 45 2.047 5.003 -2.214 1.00 0.00 N ATOM 674 CA CYS A 45 3.005 4.186 -1.479 1.00 0.00 C ATOM 675 C CYS A 45 2.409 3.703 -0.160 1.00 0.00 C ATOM 676 O CYS A 45 1.749 4.462 0.550 1.00 0.00 O ATOM 677 CB CYS A 45 4.286 4.979 -1.213 1.00 0.00 C ATOM 678 SG CYS A 45 5.509 4.095 -0.193 1.00 0.00 S ATOM 0 H CYS A 45 2.383 5.937 -2.448 1.00 0.00 H new ATOM 0 HA CYS A 45 3.245 3.315 -2.089 1.00 0.00 H new ATOM 0 HB2 CYS A 45 4.744 5.239 -2.167 1.00 0.00 H new ATOM 0 HB3 CYS A 45 4.025 5.915 -0.719 1.00 0.00 H new ATOM 683 N SER A 46 2.646 2.435 0.161 1.00 0.00 N ATOM 684 CA SER A 46 2.130 1.849 1.393 1.00 0.00 C ATOM 685 C SER A 46 3.015 2.215 2.581 1.00 0.00 C ATOM 686 O SER A 46 3.067 1.492 3.576 1.00 0.00 O ATOM 687 CB SER A 46 2.039 0.328 1.260 1.00 0.00 C ATOM 688 OG SER A 46 3.276 -0.287 1.574 1.00 0.00 O ATOM 0 H SER A 46 3.192 1.794 -0.415 1.00 0.00 H new ATOM 0 HA SER A 46 1.132 2.252 1.568 1.00 0.00 H new ATOM 0 HB2 SER A 46 1.262 -0.052 1.923 1.00 0.00 H new ATOM 0 HB3 SER A 46 1.747 0.066 0.243 1.00 0.00 H new ATOM 0 HG SER A 46 3.763 -0.483 0.747 1.00 0.00 H new ATOM 694 N TYR A 47 3.709 3.341 2.468 1.00 0.00 N ATOM 695 CA TYR A 47 4.595 3.803 3.531 1.00 0.00 C ATOM 696 C TYR A 47 4.341 5.273 3.850 1.00 0.00 C ATOM 697 O TYR A 47 4.004 5.626 4.981 1.00 0.00 O ATOM 698 CB TYR A 47 6.057 3.602 3.128 1.00 0.00 C ATOM 699 CG TYR A 47 7.026 3.740 4.281 1.00 0.00 C ATOM 700 CD1 TYR A 47 7.097 4.916 5.016 1.00 0.00 C ATOM 701 CD2 TYR A 47 7.871 2.695 4.633 1.00 0.00 C ATOM 702 CE1 TYR A 47 7.982 5.048 6.070 1.00 0.00 C ATOM 703 CE2 TYR A 47 8.757 2.817 5.685 1.00 0.00 C ATOM 704 CZ TYR A 47 8.809 3.995 6.400 1.00 0.00 C ATOM 705 OH TYR A 47 9.692 4.121 7.448 1.00 0.00 O ATOM 0 H TYR A 47 3.676 3.951 1.651 1.00 0.00 H new ATOM 0 HA TYR A 47 4.387 3.215 4.425 1.00 0.00 H new ATOM 0 HB2 TYR A 47 6.171 2.613 2.685 1.00 0.00 H new ATOM 0 HB3 TYR A 47 6.316 4.328 2.357 1.00 0.00 H new ATOM 0 HD1 TYR A 47 6.450 5.742 4.760 1.00 0.00 H new ATOM 0 HD2 TYR A 47 7.834 1.771 4.074 1.00 0.00 H new ATOM 0 HE1 TYR A 47 8.025 5.970 6.631 1.00 0.00 H new ATOM 0 HE2 TYR A 47 9.406 1.994 5.946 1.00 0.00 H new ATOM 0 HH TYR A 47 10.200 3.289 7.550 1.00 0.00 H new ATOM 715 N CYS A 48 4.506 6.127 2.846 1.00 0.00 N ATOM 716 CA CYS A 48 4.295 7.560 3.017 1.00 0.00 C ATOM 717 C CYS A 48 2.873 7.951 2.628 1.00 0.00 C ATOM 718 O CYS A 48 2.332 8.938 3.125 1.00 0.00 O ATOM 719 CB CYS A 48 5.301 8.348 2.175 1.00 0.00 C ATOM 720 SG CYS A 48 5.577 7.662 0.510 1.00 0.00 S ATOM 0 H CYS A 48 4.785 5.852 1.904 1.00 0.00 H new ATOM 0 HA CYS A 48 4.444 7.801 4.070 1.00 0.00 H new ATOM 0 HB2 CYS A 48 4.952 9.376 2.079 1.00 0.00 H new ATOM 0 HB3 CYS A 48 6.253 8.383 2.704 1.00 0.00 H new ATOM 725 N ASN A 49 2.273 7.169 1.736 1.00 0.00 N ATOM 726 CA ASN A 49 0.913 7.433 1.280 1.00 0.00 C ATOM 727 C ASN A 49 0.882 8.616 0.317 1.00 0.00 C ATOM 728 O ASN A 49 0.109 9.556 0.497 1.00 0.00 O ATOM 729 CB ASN A 49 -0.003 7.710 2.475 1.00 0.00 C ATOM 730 CG ASN A 49 -1.471 7.565 2.123 1.00 0.00 C ATOM 731 OD1 ASN A 49 -1.959 6.458 1.895 1.00 0.00 O ATOM 732 ND2 ASN A 49 -2.183 8.685 2.079 1.00 0.00 N ATOM 0 H ASN A 49 2.707 6.348 1.315 1.00 0.00 H new ATOM 0 HA ASN A 49 0.555 6.549 0.753 1.00 0.00 H new ATOM 0 HB2 ASN A 49 0.243 7.024 3.285 1.00 0.00 H new ATOM 0 HB3 ASN A 49 0.181 8.719 2.845 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -3.176 8.649 1.849 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -1.737 9.581 2.275 1.00 0.00 H new ATOM 739 N ASN A 50 1.729 8.561 -0.706 1.00 0.00 N ATOM 740 CA ASN A 50 1.799 9.627 -1.699 1.00 0.00 C ATOM 741 C ASN A 50 1.517 9.087 -3.098 1.00 0.00 C ATOM 742 O ASN A 50 2.147 8.129 -3.544 1.00 0.00 O ATOM 743 CB ASN A 50 3.176 10.294 -1.665 1.00 0.00 C ATOM 744 CG ASN A 50 3.352 11.195 -0.458 1.00 0.00 C ATOM 745 OD1 ASN A 50 2.655 12.198 -0.311 1.00 0.00 O ATOM 746 ND2 ASN A 50 4.290 10.839 0.413 1.00 0.00 N ATOM 0 H ASN A 50 2.376 7.790 -0.869 1.00 0.00 H new ATOM 0 HA ASN A 50 1.038 10.368 -1.455 1.00 0.00 H new ATOM 0 HB2 ASN A 50 3.949 9.525 -1.657 1.00 0.00 H new ATOM 0 HB3 ASN A 50 3.316 10.878 -2.575 1.00 0.00 H new ATOM 0 HD21 ASN A 50 4.456 11.406 1.244 1.00 0.00 H new ATOM 0 HD22 ASN A 50 4.844 9.998 0.250 1.00 0.00 H new ATOM 753 N LYS A 51 0.566 9.711 -3.785 1.00 0.00 N ATOM 754 CA LYS A 51 0.201 9.296 -5.135 1.00 0.00 C ATOM 755 C LYS A 51 1.441 9.114 -6.003 1.00 0.00 C ATOM 756 O LYS A 51 2.427 9.838 -5.854 1.00 0.00 O ATOM 757 CB LYS A 51 -0.734 10.327 -5.772 1.00 0.00 C ATOM 758 CG LYS A 51 -2.147 10.292 -5.216 1.00 0.00 C ATOM 759 CD LYS A 51 -3.176 10.602 -6.289 1.00 0.00 C ATOM 760 CE LYS A 51 -2.985 12.000 -6.858 1.00 0.00 C ATOM 761 NZ LYS A 51 -4.276 12.606 -7.288 1.00 0.00 N ATOM 0 H LYS A 51 0.034 10.506 -3.430 1.00 0.00 H new ATOM 0 HA LYS A 51 -0.316 8.339 -5.066 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -0.318 11.323 -5.622 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -0.771 10.155 -6.848 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -2.348 9.308 -4.792 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -2.238 11.014 -4.404 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -3.099 9.868 -7.091 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -4.178 10.512 -5.870 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -2.517 12.637 -6.107 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -2.304 11.956 -7.708 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -4.103 13.558 -7.670 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -4.711 12.012 -8.023 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -4.917 12.672 -6.472 1.00 0.00 H new ATOM 775 N LEU A 52 1.386 8.145 -6.910 1.00 0.00 N ATOM 776 CA LEU A 52 2.506 7.869 -7.804 1.00 0.00 C ATOM 777 C LEU A 52 2.031 7.742 -9.248 1.00 0.00 C ATOM 778 O LEU A 52 0.830 7.732 -9.518 1.00 0.00 O ATOM 779 CB LEU A 52 3.222 6.587 -7.375 1.00 0.00 C ATOM 780 CG LEU A 52 3.570 6.477 -5.891 1.00 0.00 C ATOM 781 CD1 LEU A 52 3.581 5.021 -5.451 1.00 0.00 C ATOM 782 CD2 LEU A 52 4.916 7.130 -5.609 1.00 0.00 C ATOM 0 H LEU A 52 0.578 7.537 -7.046 1.00 0.00 H new ATOM 0 HA LEU A 52 3.203 8.705 -7.743 1.00 0.00 H new ATOM 0 HB2 LEU A 52 2.595 5.737 -7.645 1.00 0.00 H new ATOM 0 HB3 LEU A 52 4.143 6.499 -7.951 1.00 0.00 H new ATOM 0 HG LEU A 52 2.805 7.003 -5.319 1.00 0.00 H new ATOM 0 HD11 LEU A 52 3.831 4.963 -4.392 1.00 0.00 H new ATOM 0 HD12 LEU A 52 2.596 4.584 -5.616 1.00 0.00 H new ATOM 0 HD13 LEU A 52 4.324 4.472 -6.030 1.00 0.00 H new ATOM 0 HD21 LEU A 52 5.148 7.042 -4.548 1.00 0.00 H new ATOM 0 HD22 LEU A 52 5.691 6.632 -6.192 1.00 0.00 H new ATOM 0 HD23 LEU A 52 4.874 8.184 -5.885 1.00 0.00 H new ATOM 794 N SER A 53 2.981 7.642 -10.171 1.00 0.00 N ATOM 795 CA SER A 53 2.660 7.516 -11.588 1.00 0.00 C ATOM 796 C SER A 53 3.095 6.156 -12.125 1.00 0.00 C ATOM 797 O SER A 53 3.639 5.330 -11.391 1.00 0.00 O ATOM 798 CB SER A 53 3.337 8.633 -12.387 1.00 0.00 C ATOM 799 OG SER A 53 4.742 8.610 -12.206 1.00 0.00 O ATOM 0 H SER A 53 3.980 7.646 -9.964 1.00 0.00 H new ATOM 0 HA SER A 53 1.579 7.602 -11.700 1.00 0.00 H new ATOM 0 HB2 SER A 53 3.102 8.521 -13.445 1.00 0.00 H new ATOM 0 HB3 SER A 53 2.943 9.599 -12.073 1.00 0.00 H new ATOM 0 HG SER A 53 5.151 9.332 -12.728 1.00 0.00 H new ATOM 805 N LEU A 54 2.852 5.930 -13.412 1.00 0.00 N ATOM 806 CA LEU A 54 3.218 4.670 -14.050 1.00 0.00 C ATOM 807 C LEU A 54 4.713 4.626 -14.350 1.00 0.00 C ATOM 808 O LEU A 54 5.126 4.248 -15.445 1.00 0.00 O ATOM 809 CB LEU A 54 2.421 4.480 -15.341 1.00 0.00 C ATOM 810 CG LEU A 54 0.905 4.638 -15.224 1.00 0.00 C ATOM 811 CD1 LEU A 54 0.239 4.419 -16.574 1.00 0.00 C ATOM 812 CD2 LEU A 54 0.346 3.672 -14.189 1.00 0.00 C ATOM 0 H LEU A 54 2.403 6.603 -14.034 1.00 0.00 H new ATOM 0 HA LEU A 54 2.981 3.859 -13.361 1.00 0.00 H new ATOM 0 HB2 LEU A 54 2.785 5.196 -16.078 1.00 0.00 H new ATOM 0 HB3 LEU A 54 2.633 3.485 -15.732 1.00 0.00 H new ATOM 0 HG LEU A 54 0.690 5.655 -14.896 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -0.840 4.536 -16.471 1.00 0.00 H new ATOM 0 HD12 LEU A 54 0.616 5.150 -17.289 1.00 0.00 H new ATOM 0 HD13 LEU A 54 0.463 3.414 -16.931 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -0.734 3.799 -14.119 1.00 0.00 H new ATOM 0 HD22 LEU A 54 0.573 2.648 -14.487 1.00 0.00 H new ATOM 0 HD23 LEU A 54 0.799 3.876 -13.219 1.00 0.00 H new ATOM 824 N GLY A 55 5.521 5.014 -13.367 1.00 0.00 N ATOM 825 CA GLY A 55 6.961 5.008 -13.545 1.00 0.00 C ATOM 826 C GLY A 55 7.708 5.119 -12.231 1.00 0.00 C ATOM 827 O GLY A 55 8.812 4.593 -12.089 1.00 0.00 O ATOM 0 H GLY A 55 5.204 5.332 -12.451 1.00 0.00 H new ATOM 0 HA2 GLY A 55 7.258 4.090 -14.051 1.00 0.00 H new ATOM 0 HA3 GLY A 55 7.247 5.836 -14.193 1.00 0.00 H new ATOM 831 N THR A 56 7.105 5.807 -11.265 1.00 0.00 N ATOM 832 CA THR A 56 7.722 5.988 -9.957 1.00 0.00 C ATOM 833 C THR A 56 7.222 4.944 -8.965 1.00 0.00 C ATOM 834 O THR A 56 7.767 4.803 -7.870 1.00 0.00 O ATOM 835 CB THR A 56 7.440 7.393 -9.393 1.00 0.00 C ATOM 836 OG1 THR A 56 6.044 7.534 -9.106 1.00 0.00 O ATOM 837 CG2 THR A 56 7.872 8.468 -10.377 1.00 0.00 C ATOM 0 H THR A 56 6.190 6.247 -11.365 1.00 0.00 H new ATOM 0 HA THR A 56 8.797 5.869 -10.094 1.00 0.00 H new ATOM 0 HB THR A 56 8.014 7.514 -8.474 1.00 0.00 H new ATOM 0 HG1 THR A 56 5.873 8.429 -8.746 1.00 0.00 H new ATOM 0 HG21 THR A 56 7.663 9.452 -9.956 1.00 0.00 H new ATOM 0 HG22 THR A 56 8.941 8.376 -10.570 1.00 0.00 H new ATOM 0 HG23 THR A 56 7.323 8.348 -11.311 1.00 0.00 H new ATOM 845 N TYR A 57 6.182 4.214 -9.355 1.00 0.00 N ATOM 846 CA TYR A 57 5.608 3.184 -8.498 1.00 0.00 C ATOM 847 C TYR A 57 6.457 1.917 -8.524 1.00 0.00 C ATOM 848 O TYR A 57 7.156 1.645 -9.500 1.00 0.00 O ATOM 849 CB TYR A 57 4.179 2.862 -8.939 1.00 0.00 C ATOM 850 CG TYR A 57 4.101 1.799 -10.011 1.00 0.00 C ATOM 851 CD1 TYR A 57 4.079 0.450 -9.678 1.00 0.00 C ATOM 852 CD2 TYR A 57 4.052 2.142 -11.356 1.00 0.00 C ATOM 853 CE1 TYR A 57 4.009 -0.526 -10.654 1.00 0.00 C ATOM 854 CE2 TYR A 57 3.980 1.173 -12.339 1.00 0.00 C ATOM 855 CZ TYR A 57 3.959 -0.159 -11.983 1.00 0.00 C ATOM 856 OH TYR A 57 3.889 -1.127 -12.958 1.00 0.00 O ATOM 0 H TYR A 57 5.720 4.317 -10.259 1.00 0.00 H new ATOM 0 HA TYR A 57 5.589 3.566 -7.477 1.00 0.00 H new ATOM 0 HB2 TYR A 57 3.605 2.534 -8.072 1.00 0.00 H new ATOM 0 HB3 TYR A 57 3.708 3.773 -9.308 1.00 0.00 H new ATOM 0 HD1 TYR A 57 4.117 0.159 -8.639 1.00 0.00 H new ATOM 0 HD2 TYR A 57 4.070 3.184 -11.639 1.00 0.00 H new ATOM 0 HE1 TYR A 57 3.994 -1.570 -10.378 1.00 0.00 H new ATOM 0 HE2 TYR A 57 3.940 1.458 -13.380 1.00 0.00 H new ATOM 0 HH TYR A 57 3.860 -0.701 -13.840 1.00 0.00 H new ATOM 866 N ALA A 58 6.391 1.145 -7.444 1.00 0.00 N ATOM 867 CA ALA A 58 7.151 -0.094 -7.343 1.00 0.00 C ATOM 868 C ALA A 58 6.473 -1.079 -6.397 1.00 0.00 C ATOM 869 O ALA A 58 6.334 -0.812 -5.203 1.00 0.00 O ATOM 870 CB ALA A 58 8.571 0.194 -6.879 1.00 0.00 C ATOM 0 H ALA A 58 5.819 1.356 -6.627 1.00 0.00 H new ATOM 0 HA ALA A 58 7.189 -0.549 -8.333 1.00 0.00 H new ATOM 0 HB1 ALA A 58 9.127 -0.741 -6.808 1.00 0.00 H new ATOM 0 HB2 ALA A 58 9.061 0.854 -7.595 1.00 0.00 H new ATOM 0 HB3 ALA A 58 8.544 0.675 -5.901 1.00 0.00 H new ATOM 876 N SER A 59 6.051 -2.218 -6.938 1.00 0.00 N ATOM 877 CA SER A 59 5.383 -3.240 -6.142 1.00 0.00 C ATOM 878 C SER A 59 6.295 -4.445 -5.929 1.00 0.00 C ATOM 879 O SER A 59 7.103 -4.787 -6.793 1.00 0.00 O ATOM 880 CB SER A 59 4.087 -3.682 -6.824 1.00 0.00 C ATOM 881 OG SER A 59 3.644 -4.930 -6.321 1.00 0.00 O ATOM 0 H SER A 59 6.160 -2.456 -7.924 1.00 0.00 H new ATOM 0 HA SER A 59 5.145 -2.809 -5.169 1.00 0.00 H new ATOM 0 HB2 SER A 59 3.315 -2.929 -6.667 1.00 0.00 H new ATOM 0 HB3 SER A 59 4.246 -3.756 -7.900 1.00 0.00 H new ATOM 0 HG SER A 59 2.813 -5.188 -6.772 1.00 0.00 H new ATOM 887 N LEU A 60 6.158 -5.085 -4.773 1.00 0.00 N ATOM 888 CA LEU A 60 6.969 -6.253 -4.444 1.00 0.00 C ATOM 889 C LEU A 60 6.087 -7.460 -4.143 1.00 0.00 C ATOM 890 O LEU A 60 6.068 -8.432 -4.900 1.00 0.00 O ATOM 891 CB LEU A 60 7.869 -5.952 -3.245 1.00 0.00 C ATOM 892 CG LEU A 60 8.861 -7.049 -2.858 1.00 0.00 C ATOM 893 CD1 LEU A 60 9.900 -7.239 -3.953 1.00 0.00 C ATOM 894 CD2 LEU A 60 9.535 -6.717 -1.534 1.00 0.00 C ATOM 0 H LEU A 60 5.493 -4.815 -4.048 1.00 0.00 H new ATOM 0 HA LEU A 60 7.592 -6.488 -5.307 1.00 0.00 H new ATOM 0 HB2 LEU A 60 8.429 -5.041 -3.456 1.00 0.00 H new ATOM 0 HB3 LEU A 60 7.235 -5.743 -2.383 1.00 0.00 H new ATOM 0 HG LEU A 60 8.312 -7.983 -2.739 1.00 0.00 H new ATOM 0 HD11 LEU A 60 10.598 -8.024 -3.660 1.00 0.00 H new ATOM 0 HD12 LEU A 60 9.403 -7.523 -4.881 1.00 0.00 H new ATOM 0 HD13 LEU A 60 10.445 -6.307 -4.104 1.00 0.00 H new ATOM 0 HD21 LEU A 60 10.238 -7.509 -1.275 1.00 0.00 H new ATOM 0 HD22 LEU A 60 10.071 -5.772 -1.625 1.00 0.00 H new ATOM 0 HD23 LEU A 60 8.780 -6.632 -0.753 1.00 0.00 H new ATOM 906 N HIS A 61 5.357 -7.392 -3.035 1.00 0.00 N ATOM 907 CA HIS A 61 4.470 -8.479 -2.635 1.00 0.00 C ATOM 908 C HIS A 61 3.009 -8.056 -2.744 1.00 0.00 C ATOM 909 O HIS A 61 2.175 -8.452 -1.931 1.00 0.00 O ATOM 910 CB HIS A 61 4.780 -8.918 -1.204 1.00 0.00 C ATOM 911 CG HIS A 61 6.207 -9.325 -0.998 1.00 0.00 C ATOM 912 ND1 HIS A 61 6.909 -9.051 0.157 1.00 0.00 N ATOM 913 CD2 HIS A 61 7.064 -9.990 -1.807 1.00 0.00 C ATOM 914 CE1 HIS A 61 8.135 -9.529 0.049 1.00 0.00 C ATOM 915 NE2 HIS A 61 8.255 -10.104 -1.134 1.00 0.00 N ATOM 0 H HIS A 61 5.362 -6.596 -2.398 1.00 0.00 H new ATOM 0 HA HIS A 61 4.638 -9.319 -3.309 1.00 0.00 H new ATOM 0 HB2 HIS A 61 4.542 -8.101 -0.523 1.00 0.00 H new ATOM 0 HB3 HIS A 61 4.131 -9.753 -0.940 1.00 0.00 H new ATOM 0 HD2 HIS A 61 6.851 -10.362 -2.798 1.00 0.00 H new ATOM 0 HE1 HIS A 61 8.908 -9.461 0.800 1.00 0.00 H new ATOM 0 HE2 HIS A 61 9.096 -10.559 -1.490 1.00 0.00 H new ATOM 924 N GLY A 62 2.705 -7.247 -3.756 1.00 0.00 N ATOM 925 CA GLY A 62 1.344 -6.783 -3.952 1.00 0.00 C ATOM 926 C GLY A 62 1.150 -5.349 -3.500 1.00 0.00 C ATOM 927 O GLY A 62 0.243 -4.661 -3.969 1.00 0.00 O ATOM 0 H GLY A 62 3.377 -6.905 -4.443 1.00 0.00 H new ATOM 0 HA2 GLY A 62 1.083 -6.867 -5.007 1.00 0.00 H new ATOM 0 HA3 GLY A 62 0.660 -7.430 -3.402 1.00 0.00 H new ATOM 931 N ARG A 63 2.002 -4.898 -2.585 1.00 0.00 N ATOM 932 CA ARG A 63 1.917 -3.538 -2.068 1.00 0.00 C ATOM 933 C ARG A 63 2.779 -2.587 -2.893 1.00 0.00 C ATOM 934 O ARG A 63 3.846 -2.964 -3.378 1.00 0.00 O ATOM 935 CB ARG A 63 2.356 -3.499 -0.603 1.00 0.00 C ATOM 936 CG ARG A 63 1.264 -3.911 0.371 1.00 0.00 C ATOM 937 CD ARG A 63 0.459 -2.711 0.847 1.00 0.00 C ATOM 938 NE ARG A 63 -0.567 -3.089 1.815 1.00 0.00 N ATOM 939 CZ ARG A 63 -1.798 -3.456 1.475 1.00 0.00 C ATOM 940 NH1 ARG A 63 -2.153 -3.494 0.198 1.00 0.00 N ATOM 941 NH2 ARG A 63 -2.676 -3.786 2.414 1.00 0.00 N ATOM 0 H ARG A 63 2.758 -5.454 -2.187 1.00 0.00 H new ATOM 0 HA ARG A 63 0.879 -3.214 -2.139 1.00 0.00 H new ATOM 0 HB2 ARG A 63 3.215 -4.157 -0.472 1.00 0.00 H new ATOM 0 HB3 ARG A 63 2.687 -2.490 -0.359 1.00 0.00 H new ATOM 0 HG2 ARG A 63 0.599 -4.629 -0.109 1.00 0.00 H new ATOM 0 HG3 ARG A 63 1.711 -4.414 1.229 1.00 0.00 H new ATOM 0 HD2 ARG A 63 1.130 -1.980 1.297 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -0.011 -2.227 -0.009 1.00 0.00 H new ATOM 0 HE ARG A 63 -0.326 -3.070 2.806 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -1.480 -3.241 -0.526 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -3.099 -3.776 -0.060 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -2.406 -3.758 3.397 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -3.621 -4.068 2.152 1.00 0.00 H new ATOM 955 N ILE A 64 2.308 -1.355 -3.050 1.00 0.00 N ATOM 956 CA ILE A 64 3.036 -0.351 -3.816 1.00 0.00 C ATOM 957 C ILE A 64 3.982 0.443 -2.922 1.00 0.00 C ATOM 958 O ILE A 64 3.718 0.634 -1.735 1.00 0.00 O ATOM 959 CB ILE A 64 2.075 0.624 -4.523 1.00 0.00 C ATOM 960 CG1 ILE A 64 0.813 -0.111 -4.979 1.00 0.00 C ATOM 961 CG2 ILE A 64 2.767 1.285 -5.705 1.00 0.00 C ATOM 962 CD1 ILE A 64 1.063 -1.112 -6.086 1.00 0.00 C ATOM 0 H ILE A 64 1.425 -1.028 -2.657 1.00 0.00 H new ATOM 0 HA ILE A 64 3.615 -0.886 -4.568 1.00 0.00 H new ATOM 0 HB ILE A 64 1.784 1.402 -3.817 1.00 0.00 H new ATOM 0 HG12 ILE A 64 0.375 -0.628 -4.125 1.00 0.00 H new ATOM 0 HG13 ILE A 64 0.080 0.620 -5.320 1.00 0.00 H new ATOM 0 HG21 ILE A 64 2.076 1.971 -6.194 1.00 0.00 H new ATOM 0 HG22 ILE A 64 3.639 1.837 -5.354 1.00 0.00 H new ATOM 0 HG23 ILE A 64 3.084 0.521 -6.415 1.00 0.00 H new ATOM 0 HD11 ILE A 64 0.125 -1.595 -6.359 1.00 0.00 H new ATOM 0 HD12 ILE A 64 1.473 -0.598 -6.956 1.00 0.00 H new ATOM 0 HD13 ILE A 64 1.772 -1.865 -5.742 1.00 0.00 H new ATOM 974 N TYR A 65 5.084 0.906 -3.501 1.00 0.00 N ATOM 975 CA TYR A 65 6.071 1.680 -2.757 1.00 0.00 C ATOM 976 C TYR A 65 6.760 2.697 -3.662 1.00 0.00 C ATOM 977 O TYR A 65 6.867 2.497 -4.872 1.00 0.00 O ATOM 978 CB TYR A 65 7.112 0.751 -2.130 1.00 0.00 C ATOM 979 CG TYR A 65 6.625 0.053 -0.880 1.00 0.00 C ATOM 980 CD1 TYR A 65 6.693 0.677 0.359 1.00 0.00 C ATOM 981 CD2 TYR A 65 6.097 -1.231 -0.939 1.00 0.00 C ATOM 982 CE1 TYR A 65 6.250 0.042 1.504 1.00 0.00 C ATOM 983 CE2 TYR A 65 5.650 -1.873 0.200 1.00 0.00 C ATOM 984 CZ TYR A 65 5.729 -1.232 1.419 1.00 0.00 C ATOM 985 OH TYR A 65 5.286 -1.868 2.556 1.00 0.00 O ATOM 0 H TYR A 65 5.317 0.759 -4.483 1.00 0.00 H new ATOM 0 HA TYR A 65 5.551 2.219 -1.965 1.00 0.00 H new ATOM 0 HB2 TYR A 65 7.406 0.001 -2.864 1.00 0.00 H new ATOM 0 HB3 TYR A 65 8.004 1.329 -1.889 1.00 0.00 H new ATOM 0 HD1 TYR A 65 7.099 1.675 0.429 1.00 0.00 H new ATOM 0 HD2 TYR A 65 6.035 -1.736 -1.892 1.00 0.00 H new ATOM 0 HE1 TYR A 65 6.312 0.541 2.460 1.00 0.00 H new ATOM 0 HE2 TYR A 65 5.241 -2.871 0.136 1.00 0.00 H new ATOM 0 HH TYR A 65 4.356 -1.614 2.731 1.00 0.00 H new ATOM 995 N CYS A 66 7.227 3.789 -3.065 1.00 0.00 N ATOM 996 CA CYS A 66 7.907 4.839 -3.814 1.00 0.00 C ATOM 997 C CYS A 66 9.398 4.538 -3.941 1.00 0.00 C ATOM 998 O CYS A 66 10.043 4.124 -2.979 1.00 0.00 O ATOM 999 CB CYS A 66 7.705 6.193 -3.132 1.00 0.00 C ATOM 1000 SG CYS A 66 8.414 6.296 -1.458 1.00 0.00 S ATOM 0 H CYS A 66 7.147 3.970 -2.064 1.00 0.00 H new ATOM 0 HA CYS A 66 7.475 4.876 -4.814 1.00 0.00 H new ATOM 0 HB2 CYS A 66 8.151 6.970 -3.752 1.00 0.00 H new ATOM 0 HB3 CYS A 66 6.637 6.404 -3.076 1.00 0.00 H new ATOM 1005 N LYS A 67 9.939 4.751 -5.136 1.00 0.00 N ATOM 1006 CA LYS A 67 11.353 4.505 -5.391 1.00 0.00 C ATOM 1007 C LYS A 67 12.169 4.644 -4.110 1.00 0.00 C ATOM 1008 O LYS A 67 12.873 3.725 -3.691 1.00 0.00 O ATOM 1009 CB LYS A 67 11.878 5.477 -6.450 1.00 0.00 C ATOM 1010 CG LYS A 67 12.058 4.845 -7.820 1.00 0.00 C ATOM 1011 CD LYS A 67 10.797 4.966 -8.659 1.00 0.00 C ATOM 1012 CE LYS A 67 10.641 3.785 -9.604 1.00 0.00 C ATOM 1013 NZ LYS A 67 10.514 2.497 -8.867 1.00 0.00 N ATOM 0 H LYS A 67 9.419 5.094 -5.944 1.00 0.00 H new ATOM 0 HA LYS A 67 11.458 3.484 -5.759 1.00 0.00 H new ATOM 0 HB2 LYS A 67 11.188 6.317 -6.534 1.00 0.00 H new ATOM 0 HB3 LYS A 67 12.834 5.882 -6.117 1.00 0.00 H new ATOM 0 HG2 LYS A 67 12.888 5.326 -8.337 1.00 0.00 H new ATOM 0 HG3 LYS A 67 12.320 3.793 -7.705 1.00 0.00 H new ATOM 0 HD2 LYS A 67 9.928 5.027 -8.004 1.00 0.00 H new ATOM 0 HD3 LYS A 67 10.829 5.892 -9.234 1.00 0.00 H new ATOM 0 HE2 LYS A 67 9.760 3.934 -10.229 1.00 0.00 H new ATOM 0 HE3 LYS A 67 11.501 3.738 -10.272 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 9.777 1.913 -9.312 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 11.421 1.990 -8.895 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 10.255 2.687 -7.878 1.00 0.00 H new ATOM 1027 N PRO A 68 12.072 5.818 -3.469 1.00 0.00 N ATOM 1028 CA PRO A 68 12.793 6.104 -2.225 1.00 0.00 C ATOM 1029 C PRO A 68 12.647 4.984 -1.201 1.00 0.00 C ATOM 1030 O PRO A 68 13.615 4.297 -0.875 1.00 0.00 O ATOM 1031 CB PRO A 68 12.127 7.384 -1.716 1.00 0.00 C ATOM 1032 CG PRO A 68 11.592 8.046 -2.938 1.00 0.00 C ATOM 1033 CD PRO A 68 11.251 6.958 -3.911 1.00 0.00 C ATOM 0 HA PRO A 68 13.866 6.202 -2.388 1.00 0.00 H new ATOM 0 HB2 PRO A 68 11.330 7.160 -1.006 1.00 0.00 H new ATOM 0 HB3 PRO A 68 12.843 8.024 -1.200 1.00 0.00 H new ATOM 0 HG2 PRO A 68 10.710 8.641 -2.700 1.00 0.00 H new ATOM 0 HG3 PRO A 68 12.330 8.726 -3.363 1.00 0.00 H new ATOM 0 HD2 PRO A 68 10.188 6.718 -3.886 1.00 0.00 H new ATOM 0 HD3 PRO A 68 11.488 7.248 -4.934 1.00 0.00 H new ATOM 1041 N HIS A 69 11.430 4.804 -0.696 1.00 0.00 N ATOM 1042 CA HIS A 69 11.157 3.766 0.291 1.00 0.00 C ATOM 1043 C HIS A 69 11.493 2.385 -0.266 1.00 0.00 C ATOM 1044 O HIS A 69 12.069 1.548 0.429 1.00 0.00 O ATOM 1045 CB HIS A 69 9.691 3.813 0.720 1.00 0.00 C ATOM 1046 CG HIS A 69 9.416 4.806 1.807 1.00 0.00 C ATOM 1047 ND1 HIS A 69 8.220 5.483 1.924 1.00 0.00 N ATOM 1048 CD2 HIS A 69 10.191 5.235 2.831 1.00 0.00 C ATOM 1049 CE1 HIS A 69 8.272 6.286 2.971 1.00 0.00 C ATOM 1050 NE2 HIS A 69 9.457 6.154 3.539 1.00 0.00 N ATOM 0 H HIS A 69 10.618 5.364 -0.954 1.00 0.00 H new ATOM 0 HA HIS A 69 11.788 3.951 1.161 1.00 0.00 H new ATOM 0 HB2 HIS A 69 9.075 4.055 -0.146 1.00 0.00 H new ATOM 0 HB3 HIS A 69 9.388 2.822 1.059 1.00 0.00 H new ATOM 0 HD2 HIS A 69 11.199 4.914 3.050 1.00 0.00 H new ATOM 0 HE1 HIS A 69 7.480 6.940 3.306 1.00 0.00 H new ATOM 0 HE2 HIS A 69 9.775 6.654 4.369 1.00 0.00 H new ATOM 1058 N PHE A 70 11.127 2.154 -1.522 1.00 0.00 N ATOM 1059 CA PHE A 70 11.388 0.875 -2.172 1.00 0.00 C ATOM 1060 C PHE A 70 12.865 0.507 -2.075 1.00 0.00 C ATOM 1061 O PHE A 70 13.235 -0.443 -1.385 1.00 0.00 O ATOM 1062 CB PHE A 70 10.959 0.927 -3.640 1.00 0.00 C ATOM 1063 CG PHE A 70 11.515 -0.196 -4.467 1.00 0.00 C ATOM 1064 CD1 PHE A 70 12.762 -0.084 -5.062 1.00 0.00 C ATOM 1065 CD2 PHE A 70 10.792 -1.363 -4.650 1.00 0.00 C ATOM 1066 CE1 PHE A 70 13.277 -1.116 -5.824 1.00 0.00 C ATOM 1067 CE2 PHE A 70 11.302 -2.398 -5.411 1.00 0.00 C ATOM 1068 CZ PHE A 70 12.546 -2.274 -5.999 1.00 0.00 C ATOM 0 H PHE A 70 10.649 2.836 -2.110 1.00 0.00 H new ATOM 0 HA PHE A 70 10.806 0.110 -1.658 1.00 0.00 H new ATOM 0 HB2 PHE A 70 9.871 0.902 -3.693 1.00 0.00 H new ATOM 0 HB3 PHE A 70 11.278 1.877 -4.070 1.00 0.00 H new ATOM 0 HD1 PHE A 70 13.338 0.820 -4.929 1.00 0.00 H new ATOM 0 HD2 PHE A 70 9.819 -1.465 -4.193 1.00 0.00 H new ATOM 0 HE1 PHE A 70 14.250 -1.017 -6.282 1.00 0.00 H new ATOM 0 HE2 PHE A 70 10.728 -3.303 -5.546 1.00 0.00 H new ATOM 0 HZ PHE A 70 12.946 -3.081 -6.594 1.00 0.00 H new ATOM 1078 N ASN A 71 13.705 1.265 -2.771 1.00 0.00 N ATOM 1079 CA ASN A 71 15.142 1.019 -2.765 1.00 0.00 C ATOM 1080 C ASN A 71 15.681 0.975 -1.338 1.00 0.00 C ATOM 1081 O ASN A 71 16.644 0.265 -1.050 1.00 0.00 O ATOM 1082 CB ASN A 71 15.870 2.102 -3.563 1.00 0.00 C ATOM 1083 CG ASN A 71 15.554 2.039 -5.045 1.00 0.00 C ATOM 1084 OD1 ASN A 71 15.434 0.957 -5.620 1.00 0.00 O ATOM 1085 ND2 ASN A 71 15.419 3.202 -5.672 1.00 0.00 N ATOM 0 H ASN A 71 13.415 2.055 -3.347 1.00 0.00 H new ATOM 0 HA ASN A 71 15.321 0.051 -3.232 1.00 0.00 H new ATOM 0 HB2 ASN A 71 15.592 3.083 -3.176 1.00 0.00 H new ATOM 0 HB3 ASN A 71 16.945 1.995 -3.419 1.00 0.00 H new ATOM 0 HD21 ASN A 71 15.207 3.222 -6.670 1.00 0.00 H new ATOM 0 HD22 ASN A 71 15.527 4.075 -5.156 1.00 0.00 H new ATOM 1092 N GLN A 72 15.051 1.738 -0.450 1.00 0.00 N ATOM 1093 CA GLN A 72 15.467 1.786 0.946 1.00 0.00 C ATOM 1094 C GLN A 72 15.198 0.455 1.640 1.00 0.00 C ATOM 1095 O GLN A 72 16.127 -0.274 1.991 1.00 0.00 O ATOM 1096 CB GLN A 72 14.739 2.914 1.679 1.00 0.00 C ATOM 1097 CG GLN A 72 15.007 2.940 3.175 1.00 0.00 C ATOM 1098 CD GLN A 72 14.845 4.324 3.773 1.00 0.00 C ATOM 1099 OE1 GLN A 72 15.790 5.113 3.807 1.00 0.00 O ATOM 1100 NE2 GLN A 72 13.642 4.627 4.248 1.00 0.00 N ATOM 0 H GLN A 72 14.251 2.331 -0.673 1.00 0.00 H new ATOM 0 HA GLN A 72 16.540 1.978 0.973 1.00 0.00 H new ATOM 0 HB2 GLN A 72 15.039 3.869 1.248 1.00 0.00 H new ATOM 0 HB3 GLN A 72 13.667 2.812 1.512 1.00 0.00 H new ATOM 0 HG2 GLN A 72 14.326 2.251 3.674 1.00 0.00 H new ATOM 0 HG3 GLN A 72 16.019 2.582 3.365 1.00 0.00 H new ATOM 0 HE21 GLN A 72 12.887 3.943 4.199 1.00 0.00 H new ATOM 0 HE22 GLN A 72 13.473 5.544 4.661 1.00 0.00 H new ATOM 1109 N LEU A 73 13.922 0.144 1.837 1.00 0.00 N ATOM 1110 CA LEU A 73 13.530 -1.101 2.490 1.00 0.00 C ATOM 1111 C LEU A 73 14.030 -2.309 1.705 1.00 0.00 C ATOM 1112 O LEU A 73 14.377 -3.338 2.284 1.00 0.00 O ATOM 1113 CB LEU A 73 12.008 -1.166 2.634 1.00 0.00 C ATOM 1114 CG LEU A 73 11.333 0.085 3.198 1.00 0.00 C ATOM 1115 CD1 LEU A 73 9.861 0.115 2.815 1.00 0.00 C ATOM 1116 CD2 LEU A 73 11.494 0.143 4.710 1.00 0.00 C ATOM 0 H LEU A 73 13.141 0.736 1.554 1.00 0.00 H new ATOM 0 HA LEU A 73 13.984 -1.122 3.481 1.00 0.00 H new ATOM 0 HB2 LEU A 73 11.579 -1.375 1.654 1.00 0.00 H new ATOM 0 HB3 LEU A 73 11.760 -2.010 3.278 1.00 0.00 H new ATOM 0 HG LEU A 73 11.818 0.961 2.768 1.00 0.00 H new ATOM 0 HD11 LEU A 73 9.397 1.012 3.225 1.00 0.00 H new ATOM 0 HD12 LEU A 73 9.768 0.122 1.729 1.00 0.00 H new ATOM 0 HD13 LEU A 73 9.363 -0.767 3.216 1.00 0.00 H new ATOM 0 HD21 LEU A 73 11.007 1.040 5.094 1.00 0.00 H new ATOM 0 HD22 LEU A 73 11.036 -0.738 5.159 1.00 0.00 H new ATOM 0 HD23 LEU A 73 12.554 0.169 4.962 1.00 0.00 H new ATOM 1128 N PHE A 74 14.066 -2.176 0.383 1.00 0.00 N ATOM 1129 CA PHE A 74 14.525 -3.256 -0.482 1.00 0.00 C ATOM 1130 C PHE A 74 16.047 -3.362 -0.458 1.00 0.00 C ATOM 1131 O PHE A 74 16.604 -4.393 -0.079 1.00 0.00 O ATOM 1132 CB PHE A 74 14.041 -3.031 -1.915 1.00 0.00 C ATOM 1133 CG PHE A 74 12.551 -3.148 -2.070 1.00 0.00 C ATOM 1134 CD1 PHE A 74 11.698 -2.537 -1.166 1.00 0.00 C ATOM 1135 CD2 PHE A 74 12.005 -3.869 -3.120 1.00 0.00 C ATOM 1136 CE1 PHE A 74 10.327 -2.642 -1.306 1.00 0.00 C ATOM 1137 CE2 PHE A 74 10.635 -3.977 -3.265 1.00 0.00 C ATOM 1138 CZ PHE A 74 9.795 -3.364 -2.356 1.00 0.00 C ATOM 0 H PHE A 74 13.783 -1.331 -0.112 1.00 0.00 H new ATOM 0 HA PHE A 74 14.107 -4.190 -0.107 1.00 0.00 H new ATOM 0 HB2 PHE A 74 14.356 -2.041 -2.245 1.00 0.00 H new ATOM 0 HB3 PHE A 74 14.524 -3.755 -2.571 1.00 0.00 H new ATOM 0 HD1 PHE A 74 12.109 -1.972 -0.342 1.00 0.00 H new ATOM 0 HD2 PHE A 74 12.657 -4.352 -3.833 1.00 0.00 H new ATOM 0 HE1 PHE A 74 9.672 -2.160 -0.595 1.00 0.00 H new ATOM 0 HE2 PHE A 74 10.221 -4.540 -4.088 1.00 0.00 H new ATOM 0 HZ PHE A 74 8.724 -3.449 -2.466 1.00 0.00 H new ATOM 1148 N LYS A 75 16.716 -2.289 -0.865 1.00 0.00 N ATOM 1149 CA LYS A 75 18.173 -2.258 -0.891 1.00 0.00 C ATOM 1150 C LYS A 75 18.737 -2.026 0.507 1.00 0.00 C ATOM 1151 O LYS A 75 18.118 -1.356 1.333 1.00 0.00 O ATOM 1152 CB LYS A 75 18.664 -1.162 -1.839 1.00 0.00 C ATOM 1153 CG LYS A 75 19.982 -1.490 -2.518 1.00 0.00 C ATOM 1154 CD LYS A 75 21.167 -0.994 -1.707 1.00 0.00 C ATOM 1155 CE LYS A 75 22.454 -1.697 -2.111 1.00 0.00 C ATOM 1156 NZ LYS A 75 23.100 -1.042 -3.282 1.00 0.00 N ATOM 0 H LYS A 75 16.271 -1.428 -1.182 1.00 0.00 H new ATOM 0 HA LYS A 75 18.526 -3.225 -1.250 1.00 0.00 H new ATOM 0 HB2 LYS A 75 17.906 -0.987 -2.602 1.00 0.00 H new ATOM 0 HB3 LYS A 75 18.774 -0.233 -1.280 1.00 0.00 H new ATOM 0 HG2 LYS A 75 20.062 -2.568 -2.658 1.00 0.00 H new ATOM 0 HG3 LYS A 75 20.004 -1.038 -3.509 1.00 0.00 H new ATOM 0 HD2 LYS A 75 21.280 0.081 -1.846 1.00 0.00 H new ATOM 0 HD3 LYS A 75 20.978 -1.160 -0.646 1.00 0.00 H new ATOM 0 HE2 LYS A 75 23.146 -1.700 -1.269 1.00 0.00 H new ATOM 0 HE3 LYS A 75 22.239 -2.738 -2.350 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 23.974 -1.551 -3.526 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 22.450 -1.062 -4.093 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 23.328 -0.055 -3.046 1.00 0.00 H new ATOM 1170 N SER A 76 19.916 -2.584 0.764 1.00 0.00 N ATOM 1171 CA SER A 76 20.563 -2.439 2.064 1.00 0.00 C ATOM 1172 C SER A 76 22.065 -2.683 1.953 1.00 0.00 C ATOM 1173 O SER A 76 22.575 -3.019 0.884 1.00 0.00 O ATOM 1174 CB SER A 76 19.950 -3.413 3.073 1.00 0.00 C ATOM 1175 OG SER A 76 20.391 -4.738 2.835 1.00 0.00 O ATOM 0 H SER A 76 20.442 -3.140 0.090 1.00 0.00 H new ATOM 0 HA SER A 76 20.403 -1.418 2.411 1.00 0.00 H new ATOM 0 HB2 SER A 76 20.222 -3.112 4.085 1.00 0.00 H new ATOM 0 HB3 SER A 76 18.863 -3.371 3.009 1.00 0.00 H new ATOM 0 HG SER A 76 19.987 -5.341 3.494 1.00 0.00 H new ATOM 1181 N LYS A 77 22.769 -2.510 3.066 1.00 0.00 N ATOM 1182 CA LYS A 77 24.213 -2.711 3.098 1.00 0.00 C ATOM 1183 C LYS A 77 24.554 -4.141 3.503 1.00 0.00 C ATOM 1184 O LYS A 77 24.527 -4.485 4.684 1.00 0.00 O ATOM 1185 CB LYS A 77 24.865 -1.724 4.069 1.00 0.00 C ATOM 1186 CG LYS A 77 26.329 -1.453 3.769 1.00 0.00 C ATOM 1187 CD LYS A 77 26.841 -0.247 4.538 1.00 0.00 C ATOM 1188 CE LYS A 77 27.272 -0.626 5.947 1.00 0.00 C ATOM 1189 NZ LYS A 77 28.688 -1.084 5.989 1.00 0.00 N ATOM 0 H LYS A 77 22.363 -2.231 3.959 1.00 0.00 H new ATOM 0 HA LYS A 77 24.602 -2.534 2.095 1.00 0.00 H new ATOM 0 HB2 LYS A 77 24.316 -0.783 4.040 1.00 0.00 H new ATOM 0 HB3 LYS A 77 24.777 -2.113 5.083 1.00 0.00 H new ATOM 0 HG2 LYS A 77 26.923 -2.330 4.028 1.00 0.00 H new ATOM 0 HG3 LYS A 77 26.457 -1.285 2.700 1.00 0.00 H new ATOM 0 HD2 LYS A 77 27.683 0.195 4.005 1.00 0.00 H new ATOM 0 HD3 LYS A 77 26.061 0.513 4.587 1.00 0.00 H new ATOM 0 HE2 LYS A 77 27.148 0.232 6.608 1.00 0.00 H new ATOM 0 HE3 LYS A 77 26.623 -1.416 6.325 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 28.943 -1.333 6.966 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 28.801 -1.918 5.378 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 29.310 -0.321 5.652 1.00 0.00 H new ATOM 1203 N GLY A 78 24.878 -4.971 2.516 1.00 0.00 N ATOM 1204 CA GLY A 78 25.222 -6.353 2.791 1.00 0.00 C ATOM 1205 C GLY A 78 24.662 -7.308 1.755 1.00 0.00 C ATOM 1206 O GLY A 78 24.347 -6.904 0.636 1.00 0.00 O ATOM 0 H GLY A 78 24.908 -4.710 1.530 1.00 0.00 H new ATOM 0 HA2 GLY A 78 26.307 -6.454 2.825 1.00 0.00 H new ATOM 0 HA3 GLY A 78 24.845 -6.629 3.776 1.00 0.00 H new ATOM 1210 N ASN A 79 24.540 -8.578 2.126 1.00 0.00 N ATOM 1211 CA ASN A 79 24.017 -9.593 1.219 1.00 0.00 C ATOM 1212 C ASN A 79 22.729 -10.200 1.767 1.00 0.00 C ATOM 1213 O ASN A 79 22.641 -10.534 2.949 1.00 0.00 O ATOM 1214 CB ASN A 79 25.057 -10.692 0.996 1.00 0.00 C ATOM 1215 CG ASN A 79 25.489 -11.352 2.292 1.00 0.00 C ATOM 1216 OD1 ASN A 79 24.810 -12.242 2.804 1.00 0.00 O ATOM 1217 ND2 ASN A 79 26.622 -10.916 2.828 1.00 0.00 N ATOM 0 H ASN A 79 24.796 -8.929 3.049 1.00 0.00 H new ATOM 0 HA ASN A 79 23.795 -9.113 0.266 1.00 0.00 H new ATOM 0 HB2 ASN A 79 24.645 -11.447 0.327 1.00 0.00 H new ATOM 0 HB3 ASN A 79 25.929 -10.267 0.499 1.00 0.00 H new ATOM 0 HD21 ASN A 79 26.963 -11.321 3.700 1.00 0.00 H new ATOM 0 HD22 ASN A 79 27.152 -10.176 2.368 1.00 0.00 H new ATOM 1224 N TYR A 80 21.733 -10.340 0.900 1.00 0.00 N ATOM 1225 CA TYR A 80 20.448 -10.906 1.296 1.00 0.00 C ATOM 1226 C TYR A 80 19.781 -11.618 0.123 1.00 0.00 C ATOM 1227 O TYR A 80 20.279 -11.584 -1.002 1.00 0.00 O ATOM 1228 CB TYR A 80 19.527 -9.808 1.831 1.00 0.00 C ATOM 1229 CG TYR A 80 19.665 -9.573 3.318 1.00 0.00 C ATOM 1230 CD1 TYR A 80 20.659 -8.744 3.822 1.00 0.00 C ATOM 1231 CD2 TYR A 80 18.800 -10.181 4.220 1.00 0.00 C ATOM 1232 CE1 TYR A 80 20.788 -8.528 5.180 1.00 0.00 C ATOM 1233 CE2 TYR A 80 18.921 -9.970 5.580 1.00 0.00 C ATOM 1234 CZ TYR A 80 19.917 -9.143 6.055 1.00 0.00 C ATOM 1235 OH TYR A 80 20.042 -8.929 7.409 1.00 0.00 O ATOM 0 H TYR A 80 21.790 -10.070 -0.082 1.00 0.00 H new ATOM 0 HA TYR A 80 20.629 -11.636 2.085 1.00 0.00 H new ATOM 0 HB2 TYR A 80 19.740 -8.878 1.303 1.00 0.00 H new ATOM 0 HB3 TYR A 80 18.493 -10.072 1.608 1.00 0.00 H new ATOM 0 HD1 TYR A 80 21.343 -8.260 3.140 1.00 0.00 H new ATOM 0 HD2 TYR A 80 18.019 -10.830 3.851 1.00 0.00 H new ATOM 0 HE1 TYR A 80 21.567 -7.881 5.555 1.00 0.00 H new ATOM 0 HE2 TYR A 80 18.240 -10.450 6.267 1.00 0.00 H new ATOM 0 HH TYR A 80 19.350 -9.434 7.885 1.00 0.00 H new ATOM 1245 N ASP A 81 18.651 -12.261 0.396 1.00 0.00 N ATOM 1246 CA ASP A 81 17.913 -12.981 -0.636 1.00 0.00 C ATOM 1247 C ASP A 81 16.409 -12.829 -0.433 1.00 0.00 C ATOM 1248 O ASP A 81 15.940 -12.648 0.690 1.00 0.00 O ATOM 1249 CB ASP A 81 18.295 -14.462 -0.627 1.00 0.00 C ATOM 1250 CG ASP A 81 17.219 -15.341 -1.234 1.00 0.00 C ATOM 1251 OD1 ASP A 81 16.823 -15.081 -2.389 1.00 0.00 O ATOM 1252 OD2 ASP A 81 16.773 -16.288 -0.553 1.00 0.00 O ATOM 0 H ASP A 81 18.226 -12.299 1.323 1.00 0.00 H new ATOM 0 HA ASP A 81 18.176 -12.552 -1.603 1.00 0.00 H new ATOM 0 HB2 ASP A 81 19.225 -14.598 -1.179 1.00 0.00 H new ATOM 0 HB3 ASP A 81 18.484 -14.779 0.399 1.00 0.00 H new ATOM 1257 N GLU A 82 15.659 -12.904 -1.528 1.00 0.00 N ATOM 1258 CA GLU A 82 14.208 -12.773 -1.470 1.00 0.00 C ATOM 1259 C GLU A 82 13.526 -14.005 -2.059 1.00 0.00 C ATOM 1260 O GLU A 82 12.536 -13.895 -2.781 1.00 0.00 O ATOM 1261 CB GLU A 82 13.756 -11.519 -2.221 1.00 0.00 C ATOM 1262 CG GLU A 82 14.212 -10.223 -1.571 1.00 0.00 C ATOM 1263 CD GLU A 82 13.304 -9.054 -1.902 1.00 0.00 C ATOM 1264 OE1 GLU A 82 12.111 -9.292 -2.185 1.00 0.00 O ATOM 1265 OE2 GLU A 82 13.787 -7.903 -1.877 1.00 0.00 O ATOM 0 H GLU A 82 16.032 -13.055 -2.465 1.00 0.00 H new ATOM 0 HA GLU A 82 13.919 -12.685 -0.423 1.00 0.00 H new ATOM 0 HB2 GLU A 82 14.139 -11.559 -3.241 1.00 0.00 H new ATOM 0 HB3 GLU A 82 12.668 -11.519 -2.289 1.00 0.00 H new ATOM 0 HG2 GLU A 82 14.248 -10.356 -0.490 1.00 0.00 H new ATOM 0 HG3 GLU A 82 15.226 -9.994 -1.898 1.00 0.00 H new ATOM 1272 N GLY A 83 14.065 -15.180 -1.745 1.00 0.00 N ATOM 1273 CA GLY A 83 13.497 -16.415 -2.251 1.00 0.00 C ATOM 1274 C GLY A 83 11.982 -16.402 -2.246 1.00 0.00 C ATOM 1275 O GLY A 83 11.353 -16.075 -3.254 1.00 0.00 O ATOM 0 H GLY A 83 14.885 -15.298 -1.149 1.00 0.00 H new ATOM 0 HA2 GLY A 83 13.852 -16.585 -3.267 1.00 0.00 H new ATOM 0 HA3 GLY A 83 13.852 -17.249 -1.646 1.00 0.00 H new ATOM 1279 N PHE A 84 11.392 -16.759 -1.110 1.00 0.00 N ATOM 1280 CA PHE A 84 9.940 -16.789 -0.979 1.00 0.00 C ATOM 1281 C PHE A 84 9.330 -15.448 -1.377 1.00 0.00 C ATOM 1282 O PHE A 84 9.769 -14.394 -0.919 1.00 0.00 O ATOM 1283 CB PHE A 84 9.543 -17.137 0.457 1.00 0.00 C ATOM 1284 CG PHE A 84 8.077 -17.416 0.623 1.00 0.00 C ATOM 1285 CD1 PHE A 84 7.141 -16.412 0.430 1.00 0.00 C ATOM 1286 CD2 PHE A 84 7.633 -18.681 0.971 1.00 0.00 C ATOM 1287 CE1 PHE A 84 5.791 -16.666 0.583 1.00 0.00 C ATOM 1288 CE2 PHE A 84 6.285 -18.941 1.125 1.00 0.00 C ATOM 1289 CZ PHE A 84 5.362 -17.932 0.930 1.00 0.00 C ATOM 0 H PHE A 84 11.897 -17.032 -0.267 1.00 0.00 H new ATOM 0 HA PHE A 84 9.556 -17.557 -1.651 1.00 0.00 H new ATOM 0 HB2 PHE A 84 10.110 -18.010 0.781 1.00 0.00 H new ATOM 0 HB3 PHE A 84 9.824 -16.313 1.113 1.00 0.00 H new ATOM 0 HD1 PHE A 84 7.470 -15.420 0.157 1.00 0.00 H new ATOM 0 HD2 PHE A 84 8.350 -19.474 1.124 1.00 0.00 H new ATOM 0 HE1 PHE A 84 5.072 -15.875 0.431 1.00 0.00 H new ATOM 0 HE2 PHE A 84 5.953 -19.932 1.398 1.00 0.00 H new ATOM 0 HZ PHE A 84 4.307 -18.133 1.049 1.00 0.00 H new ATOM 1299 N GLY A 85 8.314 -15.497 -2.233 1.00 0.00 N ATOM 1300 CA GLY A 85 7.660 -14.281 -2.679 1.00 0.00 C ATOM 1301 C GLY A 85 6.645 -14.537 -3.775 1.00 0.00 C ATOM 1302 O GLY A 85 6.957 -14.415 -4.960 1.00 0.00 O ATOM 0 H GLY A 85 7.932 -16.357 -2.626 1.00 0.00 H new ATOM 0 HA2 GLY A 85 7.164 -13.807 -1.832 1.00 0.00 H new ATOM 0 HA3 GLY A 85 8.412 -13.580 -3.041 1.00 0.00 H new ATOM 1306 N SER A 86 5.427 -14.893 -3.381 1.00 0.00 N ATOM 1307 CA SER A 86 4.364 -15.172 -4.340 1.00 0.00 C ATOM 1308 C SER A 86 3.429 -13.975 -4.479 1.00 0.00 C ATOM 1309 O SER A 86 3.348 -13.130 -3.588 1.00 0.00 O ATOM 1310 CB SER A 86 3.569 -16.406 -3.907 1.00 0.00 C ATOM 1311 OG SER A 86 4.246 -17.599 -4.264 1.00 0.00 O ATOM 0 H SER A 86 5.151 -14.995 -2.404 1.00 0.00 H new ATOM 0 HA SER A 86 4.824 -15.366 -5.309 1.00 0.00 H new ATOM 0 HB2 SER A 86 3.412 -16.382 -2.829 1.00 0.00 H new ATOM 0 HB3 SER A 86 2.584 -16.390 -4.373 1.00 0.00 H new ATOM 0 HG SER A 86 3.719 -18.373 -3.975 1.00 0.00 H new ATOM 1317 N GLY A 87 2.725 -13.909 -5.605 1.00 0.00 N ATOM 1318 CA GLY A 87 1.806 -12.811 -5.841 1.00 0.00 C ATOM 1319 C GLY A 87 0.612 -13.225 -6.679 1.00 0.00 C ATOM 1320 O GLY A 87 0.733 -13.994 -7.633 1.00 0.00 O ATOM 0 H GLY A 87 2.775 -14.596 -6.357 1.00 0.00 H new ATOM 0 HA2 GLY A 87 1.457 -12.421 -4.885 1.00 0.00 H new ATOM 0 HA3 GLY A 87 2.334 -12.000 -6.342 1.00 0.00 H new ATOM 1324 N PRO A 88 -0.574 -12.711 -6.322 1.00 0.00 N ATOM 1325 CA PRO A 88 -1.817 -13.019 -7.034 1.00 0.00 C ATOM 1326 C PRO A 88 -1.857 -12.398 -8.426 1.00 0.00 C ATOM 1327 O PRO A 88 -1.285 -11.333 -8.658 1.00 0.00 O ATOM 1328 CB PRO A 88 -2.899 -12.402 -6.143 1.00 0.00 C ATOM 1329 CG PRO A 88 -2.203 -11.313 -5.402 1.00 0.00 C ATOM 1330 CD PRO A 88 -0.792 -11.788 -5.195 1.00 0.00 C ATOM 0 HA PRO A 88 -1.938 -14.090 -7.196 1.00 0.00 H new ATOM 0 HB2 PRO A 88 -3.726 -12.012 -6.737 1.00 0.00 H new ATOM 0 HB3 PRO A 88 -3.318 -13.141 -5.460 1.00 0.00 H new ATOM 0 HG2 PRO A 88 -2.222 -10.382 -5.968 1.00 0.00 H new ATOM 0 HG3 PRO A 88 -2.692 -11.116 -4.448 1.00 0.00 H new ATOM 0 HD2 PRO A 88 -0.083 -10.960 -5.211 1.00 0.00 H new ATOM 0 HD3 PRO A 88 -0.674 -12.291 -4.235 1.00 0.00 H new ATOM 1338 N SER A 89 -2.536 -13.071 -9.350 1.00 0.00 N ATOM 1339 CA SER A 89 -2.647 -12.586 -10.721 1.00 0.00 C ATOM 1340 C SER A 89 -3.937 -13.080 -11.368 1.00 0.00 C ATOM 1341 O SER A 89 -4.500 -14.096 -10.960 1.00 0.00 O ATOM 1342 CB SER A 89 -1.442 -13.043 -11.545 1.00 0.00 C ATOM 1343 OG SER A 89 -0.246 -12.449 -11.072 1.00 0.00 O ATOM 0 H SER A 89 -3.017 -13.953 -9.174 1.00 0.00 H new ATOM 0 HA SER A 89 -2.668 -11.497 -10.695 1.00 0.00 H new ATOM 0 HB2 SER A 89 -1.356 -14.129 -11.498 1.00 0.00 H new ATOM 0 HB3 SER A 89 -1.593 -12.780 -12.592 1.00 0.00 H new ATOM 0 HG SER A 89 0.510 -12.758 -11.614 1.00 0.00 H new ATOM 1349 N SER A 90 -4.400 -12.353 -12.381 1.00 0.00 N ATOM 1350 CA SER A 90 -5.625 -12.714 -13.084 1.00 0.00 C ATOM 1351 C SER A 90 -5.610 -12.178 -14.512 1.00 0.00 C ATOM 1352 O SER A 90 -4.886 -11.235 -14.825 1.00 0.00 O ATOM 1353 CB SER A 90 -6.845 -12.172 -12.336 1.00 0.00 C ATOM 1354 OG SER A 90 -6.744 -10.772 -12.143 1.00 0.00 O ATOM 0 H SER A 90 -3.945 -11.511 -12.733 1.00 0.00 H new ATOM 0 HA SER A 90 -5.685 -13.802 -13.124 1.00 0.00 H new ATOM 0 HB2 SER A 90 -7.751 -12.400 -12.898 1.00 0.00 H new ATOM 0 HB3 SER A 90 -6.934 -12.670 -11.370 1.00 0.00 H new ATOM 0 HG SER A 90 -7.536 -10.450 -11.665 1.00 0.00 H new ATOM 1360 N GLY A 91 -6.417 -12.789 -15.375 1.00 0.00 N ATOM 1361 CA GLY A 91 -6.481 -12.361 -16.760 1.00 0.00 C ATOM 1362 C GLY A 91 -6.571 -10.854 -16.898 1.00 0.00 C ATOM 1363 O GLY A 91 -6.180 -10.323 -17.936 1.00 0.00 O ATOM 0 H GLY A 91 -7.027 -13.572 -15.139 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -5.598 -12.719 -17.289 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -7.347 -12.819 -17.239 1.00 0.00 H new TER 1367 GLY A 91 HETATM 1368 ZN ZN A 201 -9.613 2.321 -5.143 1.00 0.00 ZN HETATM 1369 ZN ZN A 401 6.983 5.865 0.314 1.00 0.00 ZN