USER MOD reduce.3.24.130724 H: found=0, std=0, add=444, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 444 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 ARG N :NH3+ -166:sc= 0 (180deg=-0.0768) USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 ASN : amide:sc= -0.0295 K(o=-0.03,f=-13!) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 GLN : amide:sc= -0.121 K(o=-0.12,f=-0.65) USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 TYR OH : rot 0:sc= -3.34! USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 ASN : amide:sc= -2.19 K(o=-2.2,f=-12!) USER MOD Single : A 44 ASN : amide:sc= -2.51! C(o=-2.5!,f=-7.7!) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 54 THR OG1 : rot 143:sc= 0.649 USER MOD ----------------------------------------------------------------- ATOM 1 N ARG A 1 -5.181 -14.231 0.134 1.00 0.00 N ATOM 2 CA ARG A 1 -5.251 -13.101 -0.825 1.00 0.00 C ATOM 3 C ARG A 1 -6.619 -12.426 -0.780 1.00 0.00 C ATOM 4 O ARG A 1 -7.508 -12.755 -1.565 1.00 0.00 O ATOM 5 CB ARG A 1 -4.979 -13.640 -2.231 1.00 0.00 C ATOM 6 CG ARG A 1 -4.955 -12.561 -3.301 1.00 0.00 C ATOM 7 CD ARG A 1 -5.047 -13.157 -4.697 1.00 0.00 C ATOM 8 NE ARG A 1 -6.293 -13.897 -4.897 1.00 0.00 N ATOM 9 CZ ARG A 1 -6.355 -15.184 -5.240 1.00 0.00 C ATOM 10 NH1 ARG A 1 -5.249 -15.893 -5.427 1.00 0.00 N ATOM 11 NH2 ARG A 1 -7.535 -15.769 -5.398 1.00 0.00 N ATOM 0 H1 ARG A 1 -4.190 -14.519 0.259 1.00 0.00 H new ATOM 0 H2 ARG A 1 -5.574 -13.934 1.050 1.00 0.00 H new ATOM 0 H3 ARG A 1 -5.731 -15.033 -0.234 1.00 0.00 H new ATOM 0 HA ARG A 1 -4.504 -12.354 -0.555 1.00 0.00 H new ATOM 0 HB2 ARG A 1 -4.023 -14.163 -2.232 1.00 0.00 H new ATOM 0 HB3 ARG A 1 -5.744 -14.374 -2.484 1.00 0.00 H new ATOM 0 HG2 ARG A 1 -5.785 -11.872 -3.143 1.00 0.00 H new ATOM 0 HG3 ARG A 1 -4.037 -11.980 -3.212 1.00 0.00 H new ATOM 0 HD2 ARG A 1 -4.976 -12.360 -5.437 1.00 0.00 H new ATOM 0 HD3 ARG A 1 -4.200 -13.822 -4.864 1.00 0.00 H new ATOM 0 HE ARG A 1 -7.172 -13.396 -4.765 1.00 0.00 H new ATOM 0 HH11 ARG A 1 -4.336 -15.454 -5.309 1.00 0.00 H new ATOM 0 HH12 ARG A 1 -5.312 -16.877 -5.689 1.00 0.00 H new ATOM 0 HH21 ARG A 1 -8.392 -15.234 -5.257 1.00 0.00 H new ATOM 0 HH22 ARG A 1 -7.585 -16.753 -5.660 1.00 0.00 H new ATOM 27 N PRO A 2 -6.812 -11.475 0.151 1.00 0.00 N ATOM 28 CA PRO A 2 -8.086 -10.763 0.291 1.00 0.00 C ATOM 29 C PRO A 2 -8.388 -9.888 -0.923 1.00 0.00 C ATOM 30 O PRO A 2 -7.484 -9.483 -1.652 1.00 0.00 O ATOM 31 CB PRO A 2 -7.895 -9.895 1.541 1.00 0.00 C ATOM 32 CG PRO A 2 -6.673 -10.422 2.219 1.00 0.00 C ATOM 33 CD PRO A 2 -5.821 -11.025 1.140 1.00 0.00 C ATOM 0 HA PRO A 2 -8.926 -11.453 0.371 1.00 0.00 H new ATOM 0 HB2 PRO A 2 -7.772 -8.846 1.273 1.00 0.00 H new ATOM 0 HB3 PRO A 2 -8.764 -9.957 2.197 1.00 0.00 H new ATOM 0 HG2 PRO A 2 -6.140 -9.624 2.735 1.00 0.00 H new ATOM 0 HG3 PRO A 2 -6.935 -11.167 2.970 1.00 0.00 H new ATOM 0 HD2 PRO A 2 -5.130 -10.296 0.716 1.00 0.00 H new ATOM 0 HD3 PRO A 2 -5.220 -11.853 1.515 1.00 0.00 H new ATOM 41 N ASP A 3 -9.666 -9.601 -1.137 1.00 0.00 N ATOM 42 CA ASP A 3 -10.088 -8.778 -2.268 1.00 0.00 C ATOM 43 C ASP A 3 -9.296 -7.474 -2.341 1.00 0.00 C ATOM 44 O ASP A 3 -8.657 -7.179 -3.351 1.00 0.00 O ATOM 45 CB ASP A 3 -11.582 -8.463 -2.163 1.00 0.00 C ATOM 46 CG ASP A 3 -12.450 -9.664 -2.486 1.00 0.00 C ATOM 47 OD1 ASP A 3 -12.211 -10.305 -3.530 1.00 0.00 O ATOM 48 OD2 ASP A 3 -13.370 -9.963 -1.694 1.00 0.00 O ATOM 0 H ASP A 3 -10.430 -9.925 -0.543 1.00 0.00 H new ATOM 0 HA ASP A 3 -9.895 -9.346 -3.178 1.00 0.00 H new ATOM 0 HB2 ASP A 3 -11.807 -8.116 -1.155 1.00 0.00 H new ATOM 0 HB3 ASP A 3 -11.827 -7.647 -2.843 1.00 0.00 H new ATOM 53 N PHE A 4 -9.352 -6.693 -1.269 1.00 0.00 N ATOM 54 CA PHE A 4 -8.664 -5.417 -1.209 1.00 0.00 C ATOM 55 C PHE A 4 -7.183 -5.540 -1.562 1.00 0.00 C ATOM 56 O PHE A 4 -6.569 -4.572 -2.011 1.00 0.00 O ATOM 57 CB PHE A 4 -8.831 -4.816 0.180 1.00 0.00 C ATOM 58 CG PHE A 4 -8.100 -5.558 1.259 1.00 0.00 C ATOM 59 CD1 PHE A 4 -6.741 -5.369 1.453 1.00 0.00 C ATOM 60 CD2 PHE A 4 -8.775 -6.438 2.088 1.00 0.00 C ATOM 61 CE1 PHE A 4 -6.073 -6.044 2.452 1.00 0.00 C ATOM 62 CE2 PHE A 4 -8.109 -7.116 3.088 1.00 0.00 C ATOM 63 CZ PHE A 4 -6.758 -6.919 3.271 1.00 0.00 C ATOM 0 H PHE A 4 -9.873 -6.927 -0.424 1.00 0.00 H new ATOM 0 HA PHE A 4 -9.113 -4.759 -1.953 1.00 0.00 H new ATOM 0 HB2 PHE A 4 -8.481 -3.784 0.162 1.00 0.00 H new ATOM 0 HB3 PHE A 4 -9.892 -4.789 0.427 1.00 0.00 H new ATOM 0 HD1 PHE A 4 -6.200 -4.686 0.815 1.00 0.00 H new ATOM 0 HD2 PHE A 4 -9.835 -6.595 1.950 1.00 0.00 H new ATOM 0 HE1 PHE A 4 -5.014 -5.888 2.594 1.00 0.00 H new ATOM 0 HE2 PHE A 4 -8.647 -7.801 3.727 1.00 0.00 H new ATOM 0 HZ PHE A 4 -6.235 -7.448 4.054 1.00 0.00 H new ATOM 73 N CYS A 5 -6.605 -6.727 -1.375 1.00 0.00 N ATOM 74 CA CYS A 5 -5.196 -6.931 -1.700 1.00 0.00 C ATOM 75 C CYS A 5 -4.939 -6.591 -3.166 1.00 0.00 C ATOM 76 O CYS A 5 -3.836 -6.194 -3.542 1.00 0.00 O ATOM 77 CB CYS A 5 -4.767 -8.372 -1.406 1.00 0.00 C ATOM 78 SG CYS A 5 -3.052 -8.752 -1.894 1.00 0.00 S ATOM 0 H CYS A 5 -7.083 -7.549 -1.006 1.00 0.00 H new ATOM 0 HA CYS A 5 -4.602 -6.266 -1.073 1.00 0.00 H new ATOM 0 HB2 CYS A 5 -4.881 -8.563 -0.339 1.00 0.00 H new ATOM 0 HB3 CYS A 5 -5.441 -9.054 -1.925 1.00 0.00 H new ATOM 83 N LEU A 6 -5.978 -6.733 -3.985 1.00 0.00 N ATOM 84 CA LEU A 6 -5.884 -6.432 -5.409 1.00 0.00 C ATOM 85 C LEU A 6 -6.268 -4.978 -5.688 1.00 0.00 C ATOM 86 O LEU A 6 -6.613 -4.626 -6.816 1.00 0.00 O ATOM 87 CB LEU A 6 -6.795 -7.369 -6.210 1.00 0.00 C ATOM 88 CG LEU A 6 -6.865 -8.810 -5.695 1.00 0.00 C ATOM 89 CD1 LEU A 6 -8.185 -9.452 -6.092 1.00 0.00 C ATOM 90 CD2 LEU A 6 -5.692 -9.622 -6.225 1.00 0.00 C ATOM 0 H LEU A 6 -6.898 -7.056 -3.684 1.00 0.00 H new ATOM 0 HA LEU A 6 -4.850 -6.583 -5.718 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -7.802 -6.953 -6.215 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -6.452 -7.386 -7.244 1.00 0.00 H new ATOM 0 HG LEU A 6 -6.806 -8.793 -4.607 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -8.219 -10.475 -5.718 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -9.010 -8.882 -5.664 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -8.274 -9.459 -7.178 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -5.757 -10.643 -5.849 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -5.720 -9.634 -7.315 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -4.757 -9.172 -5.891 1.00 0.00 H new ATOM 102 N GLU A 7 -6.208 -4.137 -4.656 1.00 0.00 N ATOM 103 CA GLU A 7 -6.549 -2.725 -4.798 1.00 0.00 C ATOM 104 C GLU A 7 -5.289 -1.881 -4.984 1.00 0.00 C ATOM 105 O GLU A 7 -4.373 -1.937 -4.164 1.00 0.00 O ATOM 106 CB GLU A 7 -7.326 -2.245 -3.569 1.00 0.00 C ATOM 107 CG GLU A 7 -8.071 -0.936 -3.780 1.00 0.00 C ATOM 108 CD GLU A 7 -8.349 -0.208 -2.478 1.00 0.00 C ATOM 109 OE1 GLU A 7 -7.381 0.107 -1.757 1.00 0.00 O ATOM 110 OE2 GLU A 7 -9.535 0.038 -2.175 1.00 0.00 O ATOM 0 H GLU A 7 -5.927 -4.410 -3.714 1.00 0.00 H new ATOM 0 HA GLU A 7 -7.175 -2.610 -5.683 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -8.041 -3.015 -3.280 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -6.632 -2.126 -2.737 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -7.486 -0.291 -4.435 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -9.014 -1.136 -4.289 1.00 0.00 H new ATOM 117 N PRO A 8 -5.219 -1.086 -6.069 1.00 0.00 N ATOM 118 CA PRO A 8 -4.055 -0.235 -6.346 1.00 0.00 C ATOM 119 C PRO A 8 -3.771 0.755 -5.219 1.00 0.00 C ATOM 120 O PRO A 8 -4.672 1.123 -4.464 1.00 0.00 O ATOM 121 CB PRO A 8 -4.447 0.522 -7.621 1.00 0.00 C ATOM 122 CG PRO A 8 -5.531 -0.288 -8.241 1.00 0.00 C ATOM 123 CD PRO A 8 -6.259 -0.948 -7.106 1.00 0.00 C ATOM 0 HA PRO A 8 -3.146 -0.828 -6.447 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -4.792 1.530 -7.390 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -3.597 0.623 -8.295 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -6.204 0.342 -8.822 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -5.120 -1.031 -8.925 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -7.096 -0.342 -6.758 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -6.666 -1.916 -7.398 1.00 0.00 H new ATOM 131 N PRO A 9 -2.511 1.219 -5.102 1.00 0.00 N ATOM 132 CA PRO A 9 -2.117 2.185 -4.070 1.00 0.00 C ATOM 133 C PRO A 9 -2.705 3.565 -4.340 1.00 0.00 C ATOM 134 O PRO A 9 -3.003 3.906 -5.485 1.00 0.00 O ATOM 135 CB PRO A 9 -0.590 2.220 -4.180 1.00 0.00 C ATOM 136 CG PRO A 9 -0.308 1.838 -5.591 1.00 0.00 C ATOM 137 CD PRO A 9 -1.377 0.851 -5.974 1.00 0.00 C ATOM 0 HA PRO A 9 -2.474 1.904 -3.079 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -0.198 3.211 -3.952 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -0.126 1.525 -3.480 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -0.331 2.711 -6.244 1.00 0.00 H new ATOM 0 HG3 PRO A 9 0.684 1.395 -5.685 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -1.639 0.931 -7.029 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -1.055 -0.176 -5.803 1.00 0.00 H new ATOM 145 N TYR A 10 -2.877 4.357 -3.284 1.00 0.00 N ATOM 146 CA TYR A 10 -3.434 5.702 -3.424 1.00 0.00 C ATOM 147 C TYR A 10 -2.576 6.730 -2.694 1.00 0.00 C ATOM 148 O TYR A 10 -2.505 6.741 -1.464 1.00 0.00 O ATOM 149 CB TYR A 10 -4.872 5.747 -2.903 1.00 0.00 C ATOM 150 CG TYR A 10 -5.724 6.770 -3.618 1.00 0.00 C ATOM 151 CD1 TYR A 10 -6.001 6.646 -4.975 1.00 0.00 C ATOM 152 CD2 TYR A 10 -6.233 7.872 -2.943 1.00 0.00 C ATOM 153 CE1 TYR A 10 -6.765 7.588 -5.637 1.00 0.00 C ATOM 154 CE2 TYR A 10 -6.997 8.821 -3.599 1.00 0.00 C ATOM 155 CZ TYR A 10 -7.259 8.674 -4.945 1.00 0.00 C ATOM 156 OH TYR A 10 -8.019 9.614 -5.602 1.00 0.00 O ATOM 0 H TYR A 10 -2.641 4.094 -2.327 1.00 0.00 H new ATOM 0 HA TYR A 10 -3.438 5.953 -4.485 1.00 0.00 H new ATOM 0 HB2 TYR A 10 -5.325 4.762 -3.015 1.00 0.00 H new ATOM 0 HB3 TYR A 10 -4.860 5.973 -1.837 1.00 0.00 H new ATOM 0 HD1 TYR A 10 -5.612 5.799 -5.521 1.00 0.00 H new ATOM 0 HD2 TYR A 10 -6.029 7.990 -1.889 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -6.974 7.475 -6.690 1.00 0.00 H new ATOM 0 HE2 TYR A 10 -7.386 9.672 -3.060 1.00 0.00 H new ATOM 0 HH TYR A 10 -8.290 10.314 -4.972 1.00 0.00 H new ATOM 166 N THR A 11 -1.925 7.591 -3.469 1.00 0.00 N ATOM 167 CA THR A 11 -1.055 8.629 -2.920 1.00 0.00 C ATOM 168 C THR A 11 -1.825 9.922 -2.642 1.00 0.00 C ATOM 169 O THR A 11 -1.336 10.801 -1.933 1.00 0.00 O ATOM 170 CB THR A 11 0.084 8.907 -3.903 1.00 0.00 C ATOM 171 OG1 THR A 11 0.712 7.699 -4.291 1.00 0.00 O ATOM 172 CG2 THR A 11 1.154 9.820 -3.347 1.00 0.00 C ATOM 0 H THR A 11 -1.983 7.591 -4.487 1.00 0.00 H new ATOM 0 HA THR A 11 -0.654 8.271 -1.972 1.00 0.00 H new ATOM 0 HB THR A 11 -0.385 9.405 -4.752 1.00 0.00 H new ATOM 0 HG1 THR A 11 1.437 7.895 -4.921 1.00 0.00 H new ATOM 0 HG21 THR A 11 1.929 9.973 -4.098 1.00 0.00 H new ATOM 0 HG22 THR A 11 0.711 10.780 -3.082 1.00 0.00 H new ATOM 0 HG23 THR A 11 1.594 9.366 -2.459 1.00 0.00 H new ATOM 180 N GLY A 12 -3.029 10.035 -3.198 1.00 0.00 N ATOM 181 CA GLY A 12 -3.833 11.211 -2.994 1.00 0.00 C ATOM 182 C GLY A 12 -3.140 12.484 -3.456 1.00 0.00 C ATOM 183 O GLY A 12 -1.936 12.478 -3.710 1.00 0.00 O ATOM 0 H GLY A 12 -3.458 9.323 -3.789 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -4.775 11.100 -3.531 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -4.078 11.299 -1.936 1.00 0.00 H new ATOM 187 N PRO A 13 -3.888 13.597 -3.602 1.00 0.00 N ATOM 188 CA PRO A 13 -3.332 14.869 -4.064 1.00 0.00 C ATOM 189 C PRO A 13 -2.783 15.744 -2.939 1.00 0.00 C ATOM 190 O PRO A 13 -2.628 16.954 -3.109 1.00 0.00 O ATOM 191 CB PRO A 13 -4.544 15.535 -4.705 1.00 0.00 C ATOM 192 CG PRO A 13 -5.705 15.065 -3.893 1.00 0.00 C ATOM 193 CD PRO A 13 -5.340 13.698 -3.357 1.00 0.00 C ATOM 0 HA PRO A 13 -2.478 14.722 -4.725 1.00 0.00 H new ATOM 0 HB2 PRO A 13 -4.458 16.621 -4.682 1.00 0.00 H new ATOM 0 HB3 PRO A 13 -4.649 15.246 -5.751 1.00 0.00 H new ATOM 0 HG2 PRO A 13 -5.911 15.758 -3.077 1.00 0.00 H new ATOM 0 HG3 PRO A 13 -6.607 15.013 -4.503 1.00 0.00 H new ATOM 0 HD2 PRO A 13 -5.573 13.610 -2.296 1.00 0.00 H new ATOM 0 HD3 PRO A 13 -5.888 12.908 -3.871 1.00 0.00 H new ATOM 201 N CYS A 14 -2.491 15.140 -1.792 1.00 0.00 N ATOM 202 CA CYS A 14 -1.962 15.889 -0.657 1.00 0.00 C ATOM 203 C CYS A 14 -0.485 16.204 -0.841 1.00 0.00 C ATOM 204 O CYS A 14 0.139 15.793 -1.821 1.00 0.00 O ATOM 205 CB CYS A 14 -2.173 15.115 0.643 1.00 0.00 C ATOM 206 SG CYS A 14 -3.777 15.437 1.444 1.00 0.00 S ATOM 0 H CYS A 14 -2.610 14.141 -1.624 1.00 0.00 H new ATOM 0 HA CYS A 14 -2.507 16.831 -0.602 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -2.089 14.048 0.436 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -1.373 15.369 1.339 1.00 0.00 H new ATOM 211 N ARG A 15 0.056 16.955 0.105 1.00 0.00 N ATOM 212 CA ARG A 15 1.459 17.354 0.070 1.00 0.00 C ATOM 213 C ARG A 15 2.224 16.727 1.230 1.00 0.00 C ATOM 214 O ARG A 15 2.503 17.387 2.231 1.00 0.00 O ATOM 215 CB ARG A 15 1.581 18.878 0.132 1.00 0.00 C ATOM 216 CG ARG A 15 2.829 19.419 -0.547 1.00 0.00 C ATOM 217 CD ARG A 15 4.040 19.351 0.371 1.00 0.00 C ATOM 218 NE ARG A 15 5.263 19.017 -0.355 1.00 0.00 N ATOM 219 CZ ARG A 15 6.125 19.919 -0.823 1.00 0.00 C ATOM 220 NH1 ARG A 15 5.898 21.217 -0.668 1.00 0.00 N ATOM 221 NH2 ARG A 15 7.218 19.518 -1.458 1.00 0.00 N ATOM 0 H ARG A 15 -0.458 17.304 0.914 1.00 0.00 H new ATOM 0 HA ARG A 15 1.890 17.001 -0.867 1.00 0.00 H new ATOM 0 HB2 ARG A 15 0.702 19.323 -0.334 1.00 0.00 H new ATOM 0 HB3 ARG A 15 1.581 19.192 1.176 1.00 0.00 H new ATOM 0 HG2 ARG A 15 3.027 18.848 -1.454 1.00 0.00 H new ATOM 0 HG3 ARG A 15 2.660 20.452 -0.851 1.00 0.00 H new ATOM 0 HD2 ARG A 15 4.168 20.310 0.873 1.00 0.00 H new ATOM 0 HD3 ARG A 15 3.865 18.606 1.147 1.00 0.00 H new ATOM 0 HE ARG A 15 5.470 18.031 -0.514 1.00 0.00 H new ATOM 0 HH11 ARG A 15 5.056 21.534 -0.186 1.00 0.00 H new ATOM 0 HH12 ARG A 15 6.565 21.898 -1.030 1.00 0.00 H new ATOM 0 HH21 ARG A 15 7.397 18.522 -1.587 1.00 0.00 H new ATOM 0 HH22 ARG A 15 7.880 20.206 -1.818 1.00 0.00 H new ATOM 235 N VAL A 16 2.561 15.451 1.086 1.00 0.00 N ATOM 236 CA VAL A 16 3.303 14.732 2.115 1.00 0.00 C ATOM 237 C VAL A 16 4.283 13.748 1.473 1.00 0.00 C ATOM 238 O VAL A 16 4.363 13.652 0.247 1.00 0.00 O ATOM 239 CB VAL A 16 2.362 13.967 3.081 1.00 0.00 C ATOM 240 CG1 VAL A 16 3.071 13.655 4.390 1.00 0.00 C ATOM 241 CG2 VAL A 16 1.083 14.753 3.354 1.00 0.00 C ATOM 0 H VAL A 16 2.332 14.892 0.265 1.00 0.00 H new ATOM 0 HA VAL A 16 3.851 15.475 2.695 1.00 0.00 H new ATOM 0 HB VAL A 16 2.088 13.030 2.595 1.00 0.00 H new ATOM 0 HG11 VAL A 16 2.392 13.118 5.053 1.00 0.00 H new ATOM 0 HG12 VAL A 16 3.947 13.038 4.191 1.00 0.00 H new ATOM 0 HG13 VAL A 16 3.382 14.585 4.866 1.00 0.00 H new ATOM 0 HG21 VAL A 16 0.447 14.187 4.035 1.00 0.00 H new ATOM 0 HG22 VAL A 16 1.335 15.712 3.806 1.00 0.00 H new ATOM 0 HG23 VAL A 16 0.552 14.921 2.417 1.00 0.00 H new ATOM 251 N ARG A 17 5.040 13.037 2.302 1.00 0.00 N ATOM 252 CA ARG A 17 6.019 12.068 1.819 1.00 0.00 C ATOM 253 C ARG A 17 6.035 10.849 2.734 1.00 0.00 C ATOM 254 O ARG A 17 6.868 10.749 3.636 1.00 0.00 O ATOM 255 CB ARG A 17 7.409 12.702 1.766 1.00 0.00 C ATOM 256 CG ARG A 17 8.414 11.898 0.957 1.00 0.00 C ATOM 257 CD ARG A 17 9.770 11.841 1.645 1.00 0.00 C ATOM 258 NE ARG A 17 10.717 12.795 1.072 1.00 0.00 N ATOM 259 CZ ARG A 17 10.929 14.021 1.553 1.00 0.00 C ATOM 260 NH1 ARG A 17 10.260 14.453 2.614 1.00 0.00 N ATOM 261 NH2 ARG A 17 11.813 14.817 0.967 1.00 0.00 N ATOM 0 H ARG A 17 4.994 13.114 3.318 1.00 0.00 H new ATOM 0 HA ARG A 17 5.739 11.755 0.813 1.00 0.00 H new ATOM 0 HB2 ARG A 17 7.327 13.701 1.338 1.00 0.00 H new ATOM 0 HB3 ARG A 17 7.784 12.820 2.782 1.00 0.00 H new ATOM 0 HG2 ARG A 17 8.037 10.886 0.810 1.00 0.00 H new ATOM 0 HG3 ARG A 17 8.525 12.343 -0.032 1.00 0.00 H new ATOM 0 HD2 ARG A 17 9.646 12.048 2.708 1.00 0.00 H new ATOM 0 HD3 ARG A 17 10.176 10.833 1.562 1.00 0.00 H new ATOM 0 HE ARG A 17 11.250 12.505 0.252 1.00 0.00 H new ATOM 0 HH11 ARG A 17 9.577 13.846 3.068 1.00 0.00 H new ATOM 0 HH12 ARG A 17 10.428 15.392 2.975 1.00 0.00 H new ATOM 0 HH21 ARG A 17 12.329 14.491 0.150 1.00 0.00 H new ATOM 0 HH22 ARG A 17 11.976 15.755 1.333 1.00 0.00 H new ATOM 275 N ILE A 18 5.108 9.923 2.496 1.00 0.00 N ATOM 276 CA ILE A 18 5.005 8.717 3.305 1.00 0.00 C ATOM 277 C ILE A 18 5.370 7.479 2.494 1.00 0.00 C ATOM 278 O ILE A 18 5.024 7.368 1.321 1.00 0.00 O ATOM 279 CB ILE A 18 3.571 8.562 3.871 1.00 0.00 C ATOM 280 CG1 ILE A 18 3.227 9.739 4.791 1.00 0.00 C ATOM 281 CG2 ILE A 18 3.409 7.247 4.620 1.00 0.00 C ATOM 282 CD1 ILE A 18 1.937 9.550 5.564 1.00 0.00 C ATOM 0 H ILE A 18 4.418 9.988 1.748 1.00 0.00 H new ATOM 0 HA ILE A 18 5.709 8.813 4.132 1.00 0.00 H new ATOM 0 HB ILE A 18 2.881 8.558 3.027 1.00 0.00 H new ATOM 0 HG12 ILE A 18 4.044 9.889 5.496 1.00 0.00 H new ATOM 0 HG13 ILE A 18 3.152 10.647 4.193 1.00 0.00 H new ATOM 0 HG21 ILE A 18 2.392 7.170 5.004 1.00 0.00 H new ATOM 0 HG22 ILE A 18 3.605 6.416 3.943 1.00 0.00 H new ATOM 0 HG23 ILE A 18 4.114 7.212 5.451 1.00 0.00 H new ATOM 0 HD11 ILE A 18 1.759 10.422 6.193 1.00 0.00 H new ATOM 0 HD12 ILE A 18 1.109 9.431 4.866 1.00 0.00 H new ATOM 0 HD13 ILE A 18 2.015 8.661 6.190 1.00 0.00 H new ATOM 294 N ILE A 19 6.074 6.550 3.122 1.00 0.00 N ATOM 295 CA ILE A 19 6.473 5.326 2.453 1.00 0.00 C ATOM 296 C ILE A 19 5.528 4.190 2.829 1.00 0.00 C ATOM 297 O ILE A 19 5.785 3.441 3.772 1.00 0.00 O ATOM 298 CB ILE A 19 7.920 4.940 2.824 1.00 0.00 C ATOM 299 CG1 ILE A 19 8.891 6.038 2.386 1.00 0.00 C ATOM 300 CG2 ILE A 19 8.311 3.606 2.198 1.00 0.00 C ATOM 301 CD1 ILE A 19 9.098 7.115 3.428 1.00 0.00 C ATOM 0 H ILE A 19 6.379 6.622 4.093 1.00 0.00 H new ATOM 0 HA ILE A 19 6.424 5.498 1.378 1.00 0.00 H new ATOM 0 HB ILE A 19 7.974 4.833 3.907 1.00 0.00 H new ATOM 0 HG12 ILE A 19 9.854 5.586 2.147 1.00 0.00 H new ATOM 0 HG13 ILE A 19 8.518 6.497 1.470 1.00 0.00 H new ATOM 0 HG21 ILE A 19 9.336 3.360 2.477 1.00 0.00 H new ATOM 0 HG22 ILE A 19 7.640 2.825 2.556 1.00 0.00 H new ATOM 0 HG23 ILE A 19 8.237 3.678 1.113 1.00 0.00 H new ATOM 0 HD11 ILE A 19 9.798 7.859 3.048 1.00 0.00 H new ATOM 0 HD12 ILE A 19 8.145 7.594 3.650 1.00 0.00 H new ATOM 0 HD13 ILE A 19 9.501 6.669 4.337 1.00 0.00 H new ATOM 313 N ARG A 20 4.434 4.065 2.083 1.00 0.00 N ATOM 314 CA ARG A 20 3.455 3.019 2.345 1.00 0.00 C ATOM 315 C ARG A 20 3.756 1.780 1.509 1.00 0.00 C ATOM 316 O ARG A 20 4.606 1.816 0.621 1.00 0.00 O ATOM 317 CB ARG A 20 2.041 3.526 2.059 1.00 0.00 C ATOM 318 CG ARG A 20 1.532 4.523 3.088 1.00 0.00 C ATOM 319 CD ARG A 20 1.528 3.928 4.487 1.00 0.00 C ATOM 320 NE ARG A 20 2.369 4.689 5.408 1.00 0.00 N ATOM 321 CZ ARG A 20 1.974 5.129 6.604 1.00 0.00 C ATOM 322 NH1 ARG A 20 0.749 4.878 7.051 1.00 0.00 N ATOM 323 NH2 ARG A 20 2.817 5.819 7.360 1.00 0.00 N ATOM 0 H ARG A 20 4.205 4.673 1.296 1.00 0.00 H new ATOM 0 HA ARG A 20 3.518 2.746 3.398 1.00 0.00 H new ATOM 0 HB2 ARG A 20 2.024 3.992 1.074 1.00 0.00 H new ATOM 0 HB3 ARG A 20 1.360 2.676 2.021 1.00 0.00 H new ATOM 0 HG2 ARG A 20 2.159 5.415 3.073 1.00 0.00 H new ATOM 0 HG3 ARG A 20 0.523 4.838 2.823 1.00 0.00 H new ATOM 0 HD2 ARG A 20 0.507 3.901 4.867 1.00 0.00 H new ATOM 0 HD3 ARG A 20 1.879 2.897 4.443 1.00 0.00 H new ATOM 0 HE ARG A 20 3.324 4.898 5.117 1.00 0.00 H new ATOM 0 HH11 ARG A 20 0.097 4.343 6.478 1.00 0.00 H new ATOM 0 HH12 ARG A 20 0.460 5.221 7.967 1.00 0.00 H new ATOM 0 HH21 ARG A 20 3.762 6.011 7.026 1.00 0.00 H new ATOM 0 HH22 ARG A 20 2.521 6.158 8.275 1.00 0.00 H new ATOM 337 N TYR A 21 3.071 0.682 1.815 1.00 0.00 N ATOM 338 CA TYR A 21 3.276 -0.575 1.106 1.00 0.00 C ATOM 339 C TYR A 21 1.983 -1.057 0.453 1.00 0.00 C ATOM 340 O TYR A 21 0.889 -0.778 0.942 1.00 0.00 O ATOM 341 CB TYR A 21 3.775 -1.639 2.083 1.00 0.00 C ATOM 342 CG TYR A 21 5.238 -1.507 2.438 1.00 0.00 C ATOM 343 CD1 TYR A 21 5.645 -0.701 3.493 1.00 0.00 C ATOM 344 CD2 TYR A 21 6.211 -2.190 1.721 1.00 0.00 C ATOM 345 CE1 TYR A 21 6.980 -0.579 3.822 1.00 0.00 C ATOM 346 CE2 TYR A 21 7.548 -2.073 2.045 1.00 0.00 C ATOM 347 CZ TYR A 21 7.928 -1.266 3.096 1.00 0.00 C ATOM 348 OH TYR A 21 9.262 -1.148 3.419 1.00 0.00 O ATOM 0 H TYR A 21 2.367 0.639 2.552 1.00 0.00 H new ATOM 0 HA TYR A 21 4.017 -0.407 0.324 1.00 0.00 H new ATOM 0 HB2 TYR A 21 3.183 -1.585 2.997 1.00 0.00 H new ATOM 0 HB3 TYR A 21 3.604 -2.625 1.650 1.00 0.00 H new ATOM 0 HD1 TYR A 21 4.905 -0.161 4.065 1.00 0.00 H new ATOM 0 HD2 TYR A 21 5.917 -2.823 0.897 1.00 0.00 H new ATOM 0 HE1 TYR A 21 7.280 0.052 4.645 1.00 0.00 H new ATOM 0 HE2 TYR A 21 8.293 -2.611 1.478 1.00 0.00 H new ATOM 0 HH TYR A 21 9.796 -1.699 2.809 1.00 0.00 H new ATOM 358 N PHE A 22 2.117 -1.801 -0.643 1.00 0.00 N ATOM 359 CA PHE A 22 0.958 -2.346 -1.352 1.00 0.00 C ATOM 360 C PHE A 22 1.316 -3.670 -2.014 1.00 0.00 C ATOM 361 O PHE A 22 2.470 -4.085 -2.004 1.00 0.00 O ATOM 362 CB PHE A 22 0.444 -1.361 -2.405 1.00 0.00 C ATOM 363 CG PHE A 22 1.277 -1.314 -3.657 1.00 0.00 C ATOM 364 CD1 PHE A 22 2.535 -0.733 -3.651 1.00 0.00 C ATOM 365 CD2 PHE A 22 0.800 -1.862 -4.839 1.00 0.00 C ATOM 366 CE1 PHE A 22 3.302 -0.698 -4.802 1.00 0.00 C ATOM 367 CE2 PHE A 22 1.563 -1.832 -5.992 1.00 0.00 C ATOM 368 CZ PHE A 22 2.816 -1.249 -5.974 1.00 0.00 C ATOM 0 H PHE A 22 3.016 -2.041 -1.061 1.00 0.00 H new ATOM 0 HA PHE A 22 0.167 -2.514 -0.621 1.00 0.00 H new ATOM 0 HB2 PHE A 22 -0.578 -1.630 -2.671 1.00 0.00 H new ATOM 0 HB3 PHE A 22 0.408 -0.363 -1.967 1.00 0.00 H new ATOM 0 HD1 PHE A 22 2.921 -0.303 -2.738 1.00 0.00 H new ATOM 0 HD2 PHE A 22 -0.179 -2.318 -4.859 1.00 0.00 H new ATOM 0 HE1 PHE A 22 4.280 -0.240 -4.785 1.00 0.00 H new ATOM 0 HE2 PHE A 22 1.180 -2.263 -6.905 1.00 0.00 H new ATOM 0 HZ PHE A 22 3.414 -1.224 -6.873 1.00 0.00 H new ATOM 378 N TYR A 23 0.317 -4.314 -2.602 1.00 0.00 N ATOM 379 CA TYR A 23 0.516 -5.596 -3.283 1.00 0.00 C ATOM 380 C TYR A 23 0.561 -5.408 -4.799 1.00 0.00 C ATOM 381 O TYR A 23 -0.477 -5.268 -5.446 1.00 0.00 O ATOM 382 CB TYR A 23 -0.609 -6.567 -2.913 1.00 0.00 C ATOM 383 CG TYR A 23 -0.520 -7.890 -3.637 1.00 0.00 C ATOM 384 CD1 TYR A 23 0.500 -8.789 -3.354 1.00 0.00 C ATOM 385 CD2 TYR A 23 -1.449 -8.235 -4.609 1.00 0.00 C ATOM 386 CE1 TYR A 23 0.592 -9.995 -4.020 1.00 0.00 C ATOM 387 CE2 TYR A 23 -1.362 -9.440 -5.281 1.00 0.00 C ATOM 388 CZ TYR A 23 -0.342 -10.315 -4.982 1.00 0.00 C ATOM 389 OH TYR A 23 -0.252 -11.516 -5.649 1.00 0.00 O ATOM 0 H TYR A 23 -0.644 -3.972 -2.624 1.00 0.00 H new ATOM 0 HA TYR A 23 1.471 -6.009 -2.959 1.00 0.00 H new ATOM 0 HB2 TYR A 23 -0.585 -6.747 -1.838 1.00 0.00 H new ATOM 0 HB3 TYR A 23 -1.569 -6.102 -3.137 1.00 0.00 H new ATOM 0 HD1 TYR A 23 1.233 -8.541 -2.601 1.00 0.00 H new ATOM 0 HD2 TYR A 23 -2.252 -7.552 -4.844 1.00 0.00 H new ATOM 0 HE1 TYR A 23 1.391 -10.684 -3.789 1.00 0.00 H new ATOM 0 HE2 TYR A 23 -2.091 -9.694 -6.037 1.00 0.00 H new ATOM 0 HH TYR A 23 -0.987 -11.588 -6.293 1.00 0.00 H new ATOM 399 N ASN A 24 1.766 -5.420 -5.362 1.00 0.00 N ATOM 400 CA ASN A 24 1.941 -5.260 -6.796 1.00 0.00 C ATOM 401 C ASN A 24 1.570 -6.550 -7.528 1.00 0.00 C ATOM 402 O ASN A 24 2.129 -7.612 -7.255 1.00 0.00 O ATOM 403 CB ASN A 24 3.388 -4.861 -7.088 1.00 0.00 C ATOM 404 CG ASN A 24 3.580 -4.343 -8.500 1.00 0.00 C ATOM 405 OD1 ASN A 24 3.156 -4.974 -9.467 1.00 0.00 O ATOM 406 ND2 ASN A 24 4.226 -3.191 -8.625 1.00 0.00 N ATOM 0 H ASN A 24 2.636 -5.539 -4.843 1.00 0.00 H new ATOM 0 HA ASN A 24 1.278 -4.473 -7.156 1.00 0.00 H new ATOM 0 HB2 ASN A 24 3.699 -4.094 -6.379 1.00 0.00 H new ATOM 0 HB3 ASN A 24 4.037 -5.723 -6.930 1.00 0.00 H new ATOM 0 HD21 ASN A 24 4.388 -2.795 -9.551 1.00 0.00 H new ATOM 0 HD22 ASN A 24 4.560 -2.701 -7.795 1.00 0.00 H new ATOM 413 N ALA A 25 0.608 -6.453 -8.449 1.00 0.00 N ATOM 414 CA ALA A 25 0.147 -7.616 -9.208 1.00 0.00 C ATOM 415 C ALA A 25 1.027 -7.898 -10.425 1.00 0.00 C ATOM 416 O ALA A 25 0.692 -8.741 -11.257 1.00 0.00 O ATOM 417 CB ALA A 25 -1.298 -7.422 -9.640 1.00 0.00 C ATOM 0 H ALA A 25 0.134 -5.581 -8.686 1.00 0.00 H new ATOM 0 HA ALA A 25 0.217 -8.481 -8.549 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -1.629 -8.294 -10.204 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -1.928 -7.299 -8.759 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -1.374 -6.534 -10.267 1.00 0.00 H new ATOM 423 N LYS A 26 2.161 -7.211 -10.511 1.00 0.00 N ATOM 424 CA LYS A 26 3.102 -7.402 -11.611 1.00 0.00 C ATOM 425 C LYS A 26 4.318 -8.142 -11.089 1.00 0.00 C ATOM 426 O LYS A 26 4.827 -9.067 -11.722 1.00 0.00 O ATOM 427 CB LYS A 26 3.518 -6.058 -12.209 1.00 0.00 C ATOM 428 CG LYS A 26 2.353 -5.112 -12.446 1.00 0.00 C ATOM 429 CD LYS A 26 2.755 -3.939 -13.324 1.00 0.00 C ATOM 430 CE LYS A 26 2.255 -4.112 -14.749 1.00 0.00 C ATOM 431 NZ LYS A 26 3.308 -4.667 -15.643 1.00 0.00 N ATOM 0 H LYS A 26 2.453 -6.512 -9.828 1.00 0.00 H new ATOM 0 HA LYS A 26 2.623 -7.984 -12.399 1.00 0.00 H new ATOM 0 HB2 LYS A 26 4.234 -5.579 -11.542 1.00 0.00 H new ATOM 0 HB3 LYS A 26 4.031 -6.234 -13.155 1.00 0.00 H new ATOM 0 HG2 LYS A 26 1.533 -5.655 -12.916 1.00 0.00 H new ATOM 0 HG3 LYS A 26 1.984 -4.742 -11.490 1.00 0.00 H new ATOM 0 HD2 LYS A 26 2.353 -3.016 -12.906 1.00 0.00 H new ATOM 0 HD3 LYS A 26 3.841 -3.841 -13.328 1.00 0.00 H new ATOM 0 HE2 LYS A 26 1.390 -4.775 -14.752 1.00 0.00 H new ATOM 0 HE3 LYS A 26 1.921 -3.149 -15.136 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 2.927 -4.770 -16.605 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 4.124 -4.022 -15.660 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 3.609 -5.597 -15.289 1.00 0.00 H new ATOM 445 N ALA A 27 4.751 -7.738 -9.903 1.00 0.00 N ATOM 446 CA ALA A 27 5.881 -8.366 -9.245 1.00 0.00 C ATOM 447 C ALA A 27 5.392 -9.435 -8.273 1.00 0.00 C ATOM 448 O ALA A 27 6.169 -10.268 -7.809 1.00 0.00 O ATOM 449 CB ALA A 27 6.719 -7.327 -8.516 1.00 0.00 C ATOM 0 H ALA A 27 4.331 -6.972 -9.376 1.00 0.00 H new ATOM 0 HA ALA A 27 6.507 -8.840 -10.001 1.00 0.00 H new ATOM 0 HB1 ALA A 27 7.562 -7.816 -8.028 1.00 0.00 H new ATOM 0 HB2 ALA A 27 7.090 -6.592 -9.231 1.00 0.00 H new ATOM 0 HB3 ALA A 27 6.107 -6.827 -7.766 1.00 0.00 H new ATOM 455 N GLY A 28 4.089 -9.407 -7.973 1.00 0.00 N ATOM 456 CA GLY A 28 3.514 -10.370 -7.080 1.00 0.00 C ATOM 457 C GLY A 28 3.915 -10.181 -5.635 1.00 0.00 C ATOM 458 O GLY A 28 3.468 -10.914 -4.753 1.00 0.00 O ATOM 0 H GLY A 28 3.429 -8.723 -8.344 1.00 0.00 H new ATOM 0 HA2 GLY A 28 2.428 -10.318 -7.155 1.00 0.00 H new ATOM 0 HA3 GLY A 28 3.808 -11.369 -7.401 1.00 0.00 H new ATOM 462 N LEU A 29 4.756 -9.196 -5.396 1.00 0.00 N ATOM 463 CA LEU A 29 5.230 -8.899 -4.049 1.00 0.00 C ATOM 464 C LEU A 29 4.760 -7.520 -3.604 1.00 0.00 C ATOM 465 O LEU A 29 4.241 -6.739 -4.401 1.00 0.00 O ATOM 466 CB LEU A 29 6.759 -8.983 -3.976 1.00 0.00 C ATOM 467 CG LEU A 29 7.516 -8.400 -5.173 1.00 0.00 C ATOM 468 CD1 LEU A 29 7.776 -6.918 -4.969 1.00 0.00 C ATOM 469 CD2 LEU A 29 8.824 -9.148 -5.385 1.00 0.00 C ATOM 0 H LEU A 29 5.131 -8.581 -6.118 1.00 0.00 H new ATOM 0 HA LEU A 29 4.810 -9.646 -3.375 1.00 0.00 H new ATOM 0 HB2 LEU A 29 7.090 -8.467 -3.075 1.00 0.00 H new ATOM 0 HB3 LEU A 29 7.042 -10.030 -3.866 1.00 0.00 H new ATOM 0 HG LEU A 29 6.900 -8.519 -6.064 1.00 0.00 H new ATOM 0 HD11 LEU A 29 8.315 -6.521 -5.830 1.00 0.00 H new ATOM 0 HD12 LEU A 29 6.827 -6.393 -4.862 1.00 0.00 H new ATOM 0 HD13 LEU A 29 8.374 -6.774 -4.069 1.00 0.00 H new ATOM 0 HD21 LEU A 29 9.352 -8.723 -6.239 1.00 0.00 H new ATOM 0 HD22 LEU A 29 9.444 -9.057 -4.493 1.00 0.00 H new ATOM 0 HD23 LEU A 29 8.614 -10.201 -5.575 1.00 0.00 H new ATOM 481 N CYS A 30 4.939 -7.227 -2.321 1.00 0.00 N ATOM 482 CA CYS A 30 4.526 -5.957 -1.768 1.00 0.00 C ATOM 483 C CYS A 30 5.600 -4.892 -1.959 1.00 0.00 C ATOM 484 O CYS A 30 6.740 -5.058 -1.521 1.00 0.00 O ATOM 485 CB CYS A 30 4.206 -6.135 -0.289 1.00 0.00 C ATOM 486 SG CYS A 30 2.536 -6.787 0.033 1.00 0.00 S ATOM 0 H CYS A 30 5.370 -7.860 -1.647 1.00 0.00 H new ATOM 0 HA CYS A 30 3.635 -5.618 -2.297 1.00 0.00 H new ATOM 0 HB2 CYS A 30 4.940 -6.809 0.153 1.00 0.00 H new ATOM 0 HB3 CYS A 30 4.313 -5.174 0.214 1.00 0.00 H new ATOM 491 N GLN A 31 5.228 -3.794 -2.612 1.00 0.00 N ATOM 492 CA GLN A 31 6.161 -2.700 -2.864 1.00 0.00 C ATOM 493 C GLN A 31 5.732 -1.433 -2.130 1.00 0.00 C ATOM 494 O GLN A 31 4.626 -1.359 -1.591 1.00 0.00 O ATOM 495 CB GLN A 31 6.267 -2.431 -4.365 1.00 0.00 C ATOM 496 CG GLN A 31 6.594 -3.671 -5.183 1.00 0.00 C ATOM 497 CD GLN A 31 7.543 -3.378 -6.330 1.00 0.00 C ATOM 498 OE1 GLN A 31 8.517 -2.642 -6.169 1.00 0.00 O ATOM 499 NE2 GLN A 31 7.267 -3.956 -7.495 1.00 0.00 N ATOM 0 H GLN A 31 4.288 -3.639 -2.976 1.00 0.00 H new ATOM 0 HA GLN A 31 7.140 -2.996 -2.486 1.00 0.00 H new ATOM 0 HB2 GLN A 31 5.325 -2.011 -4.718 1.00 0.00 H new ATOM 0 HB3 GLN A 31 7.036 -1.678 -4.538 1.00 0.00 H new ATOM 0 HG2 GLN A 31 7.038 -4.425 -4.532 1.00 0.00 H new ATOM 0 HG3 GLN A 31 5.671 -4.095 -5.579 1.00 0.00 H new ATOM 0 HE21 GLN A 31 6.449 -4.559 -7.584 1.00 0.00 H new ATOM 0 HE22 GLN A 31 7.873 -3.797 -8.300 1.00 0.00 H new ATOM 508 N THR A 32 6.619 -0.442 -2.105 1.00 0.00 N ATOM 509 CA THR A 32 6.343 0.818 -1.419 1.00 0.00 C ATOM 510 C THR A 32 6.044 1.957 -2.395 1.00 0.00 C ATOM 511 O THR A 32 6.282 1.843 -3.597 1.00 0.00 O ATOM 512 CB THR A 32 7.534 1.207 -0.532 1.00 0.00 C ATOM 513 OG1 THR A 32 8.465 1.991 -1.256 1.00 0.00 O ATOM 514 CG2 THR A 32 8.285 0.020 0.035 1.00 0.00 C ATOM 0 H THR A 32 7.535 -0.487 -2.552 1.00 0.00 H new ATOM 0 HA THR A 32 5.455 0.661 -0.807 1.00 0.00 H new ATOM 0 HB THR A 32 7.097 1.767 0.295 1.00 0.00 H new ATOM 0 HG1 THR A 32 9.215 2.230 -0.673 1.00 0.00 H new ATOM 0 HG21 THR A 32 9.112 0.373 0.651 1.00 0.00 H new ATOM 0 HG22 THR A 32 7.610 -0.580 0.644 1.00 0.00 H new ATOM 0 HG23 THR A 32 8.674 -0.588 -0.782 1.00 0.00 H new ATOM 522 N PHE A 33 5.531 3.063 -1.851 1.00 0.00 N ATOM 523 CA PHE A 33 5.217 4.246 -2.652 1.00 0.00 C ATOM 524 C PHE A 33 5.184 5.502 -1.780 1.00 0.00 C ATOM 525 O PHE A 33 5.003 5.429 -0.560 1.00 0.00 O ATOM 526 CB PHE A 33 3.896 4.079 -3.411 1.00 0.00 C ATOM 527 CG PHE A 33 2.724 3.695 -2.551 1.00 0.00 C ATOM 528 CD1 PHE A 33 2.750 2.541 -1.785 1.00 0.00 C ATOM 529 CD2 PHE A 33 1.600 4.502 -2.502 1.00 0.00 C ATOM 530 CE1 PHE A 33 1.677 2.203 -0.985 1.00 0.00 C ATOM 531 CE2 PHE A 33 0.524 4.167 -1.705 1.00 0.00 C ATOM 532 CZ PHE A 33 0.562 3.016 -0.945 1.00 0.00 C ATOM 0 H PHE A 33 5.324 3.163 -0.857 1.00 0.00 H new ATOM 0 HA PHE A 33 6.010 4.360 -3.391 1.00 0.00 H new ATOM 0 HB2 PHE A 33 3.665 5.014 -3.921 1.00 0.00 H new ATOM 0 HB3 PHE A 33 4.028 3.320 -4.182 1.00 0.00 H new ATOM 0 HD1 PHE A 33 3.618 1.899 -1.814 1.00 0.00 H new ATOM 0 HD2 PHE A 33 1.565 5.404 -3.094 1.00 0.00 H new ATOM 0 HE1 PHE A 33 1.710 1.302 -0.390 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -0.347 4.805 -1.676 1.00 0.00 H new ATOM 0 HZ PHE A 33 -0.278 2.752 -0.320 1.00 0.00 H new ATOM 542 N VAL A 34 5.386 6.649 -2.422 1.00 0.00 N ATOM 543 CA VAL A 34 5.415 7.938 -1.736 1.00 0.00 C ATOM 544 C VAL A 34 4.013 8.493 -1.515 1.00 0.00 C ATOM 545 O VAL A 34 3.609 9.468 -2.145 1.00 0.00 O ATOM 546 CB VAL A 34 6.244 8.965 -2.528 1.00 0.00 C ATOM 547 CG1 VAL A 34 6.382 10.262 -1.742 1.00 0.00 C ATOM 548 CG2 VAL A 34 7.611 8.392 -2.877 1.00 0.00 C ATOM 0 H VAL A 34 5.534 6.712 -3.429 1.00 0.00 H new ATOM 0 HA VAL A 34 5.879 7.766 -0.765 1.00 0.00 H new ATOM 0 HB VAL A 34 5.722 9.188 -3.459 1.00 0.00 H new ATOM 0 HG11 VAL A 34 6.971 10.976 -2.318 1.00 0.00 H new ATOM 0 HG12 VAL A 34 5.393 10.679 -1.551 1.00 0.00 H new ATOM 0 HG13 VAL A 34 6.881 10.061 -0.794 1.00 0.00 H new ATOM 0 HG21 VAL A 34 8.183 9.132 -3.437 1.00 0.00 H new ATOM 0 HG22 VAL A 34 8.144 8.138 -1.961 1.00 0.00 H new ATOM 0 HG23 VAL A 34 7.486 7.495 -3.484 1.00 0.00 H new ATOM 558 N TYR A 35 3.299 7.871 -0.588 1.00 0.00 N ATOM 559 CA TYR A 35 1.938 8.272 -0.233 1.00 0.00 C ATOM 560 C TYR A 35 1.921 9.697 0.344 1.00 0.00 C ATOM 561 O TYR A 35 2.821 10.075 1.091 1.00 0.00 O ATOM 562 CB TYR A 35 1.383 7.258 0.769 1.00 0.00 C ATOM 563 CG TYR A 35 0.106 7.674 1.448 1.00 0.00 C ATOM 564 CD1 TYR A 35 -0.865 8.368 0.769 1.00 0.00 C ATOM 565 CD2 TYR A 35 -0.110 7.372 2.772 1.00 0.00 C ATOM 566 CE1 TYR A 35 -2.032 8.753 1.392 1.00 0.00 C ATOM 567 CE2 TYR A 35 -1.269 7.749 3.410 1.00 0.00 C ATOM 568 CZ TYR A 35 -2.229 8.441 2.713 1.00 0.00 C ATOM 569 OH TYR A 35 -3.401 8.817 3.337 1.00 0.00 O ATOM 0 H TYR A 35 3.645 7.071 -0.057 1.00 0.00 H new ATOM 0 HA TYR A 35 1.309 8.283 -1.123 1.00 0.00 H new ATOM 0 HB2 TYR A 35 1.212 6.314 0.252 1.00 0.00 H new ATOM 0 HB3 TYR A 35 2.139 7.071 1.532 1.00 0.00 H new ATOM 0 HD1 TYR A 35 -0.711 8.616 -0.271 1.00 0.00 H new ATOM 0 HD2 TYR A 35 0.644 6.829 3.321 1.00 0.00 H new ATOM 0 HE1 TYR A 35 -2.787 9.297 0.844 1.00 0.00 H new ATOM 0 HE2 TYR A 35 -1.423 7.503 4.450 1.00 0.00 H new ATOM 0 HH TYR A 35 -3.976 9.286 2.697 1.00 0.00 H new ATOM 579 N GLY A 36 0.913 10.495 -0.026 1.00 0.00 N ATOM 580 CA GLY A 36 0.853 11.873 0.445 1.00 0.00 C ATOM 581 C GLY A 36 -0.174 12.156 1.536 1.00 0.00 C ATOM 582 O GLY A 36 -0.540 13.307 1.740 1.00 0.00 O ATOM 0 H GLY A 36 0.146 10.214 -0.637 1.00 0.00 H new ATOM 0 HA2 GLY A 36 1.838 12.153 0.818 1.00 0.00 H new ATOM 0 HA3 GLY A 36 0.639 12.519 -0.406 1.00 0.00 H new ATOM 586 N GLY A 37 -0.613 11.138 2.264 1.00 0.00 N ATOM 587 CA GLY A 37 -1.556 11.359 3.345 1.00 0.00 C ATOM 588 C GLY A 37 -2.927 11.836 2.913 1.00 0.00 C ATOM 589 O GLY A 37 -3.658 12.429 3.708 1.00 0.00 O ATOM 0 H GLY A 37 -0.335 10.166 2.127 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -1.671 10.429 3.902 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -1.133 12.092 4.032 1.00 0.00 H new ATOM 593 N CYS A 38 -3.284 11.577 1.670 1.00 0.00 N ATOM 594 CA CYS A 38 -4.591 11.985 1.160 1.00 0.00 C ATOM 595 C CYS A 38 -5.466 10.783 0.796 1.00 0.00 C ATOM 596 O CYS A 38 -5.154 10.023 -0.122 1.00 0.00 O ATOM 597 CB CYS A 38 -4.444 12.894 -0.061 1.00 0.00 C ATOM 598 SG CYS A 38 -5.109 14.572 0.184 1.00 0.00 S ATOM 0 H CYS A 38 -2.696 11.090 0.994 1.00 0.00 H new ATOM 0 HA CYS A 38 -5.081 12.535 1.964 1.00 0.00 H new ATOM 0 HB2 CYS A 38 -3.388 12.967 -0.323 1.00 0.00 H new ATOM 0 HB3 CYS A 38 -4.951 12.433 -0.908 1.00 0.00 H new ATOM 603 N ARG A 39 -6.575 10.635 1.517 1.00 0.00 N ATOM 604 CA ARG A 39 -7.527 9.551 1.279 1.00 0.00 C ATOM 605 C ARG A 39 -6.829 8.210 1.075 1.00 0.00 C ATOM 606 O ARG A 39 -7.036 7.540 0.063 1.00 0.00 O ATOM 607 CB ARG A 39 -8.394 9.877 0.062 1.00 0.00 C ATOM 608 CG ARG A 39 -9.822 9.376 0.180 1.00 0.00 C ATOM 609 CD ARG A 39 -9.903 7.877 -0.049 1.00 0.00 C ATOM 610 NE ARG A 39 -9.787 7.124 1.198 1.00 0.00 N ATOM 611 CZ ARG A 39 -10.771 7.012 2.086 1.00 0.00 C ATOM 612 NH1 ARG A 39 -11.942 7.595 1.861 1.00 0.00 N ATOM 613 NH2 ARG A 39 -10.587 6.312 3.199 1.00 0.00 N ATOM 0 H ARG A 39 -6.839 11.259 2.279 1.00 0.00 H new ATOM 0 HA ARG A 39 -8.154 9.464 2.166 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -8.408 10.957 -0.085 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -7.937 9.441 -0.826 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -10.213 9.616 1.169 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -10.451 9.891 -0.546 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -10.850 7.635 -0.532 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -9.110 7.572 -0.732 1.00 0.00 H new ATOM 0 HE ARG A 39 -8.902 6.658 1.399 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -12.089 8.131 1.005 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -12.695 7.507 2.544 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -9.690 5.859 3.374 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -11.343 6.227 3.879 1.00 0.00 H new ATOM 627 N ALA A 40 -6.017 7.815 2.046 1.00 0.00 N ATOM 628 CA ALA A 40 -5.306 6.541 1.970 1.00 0.00 C ATOM 629 C ALA A 40 -6.273 5.400 1.669 1.00 0.00 C ATOM 630 O ALA A 40 -7.262 5.206 2.377 1.00 0.00 O ATOM 631 CB ALA A 40 -4.549 6.273 3.263 1.00 0.00 C ATOM 0 H ALA A 40 -5.833 8.353 2.893 1.00 0.00 H new ATOM 0 HA ALA A 40 -4.585 6.601 1.155 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -4.026 5.320 3.187 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -3.826 7.071 3.434 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -5.252 6.236 4.095 1.00 0.00 H new ATOM 637 N LYS A 41 -5.987 4.656 0.606 1.00 0.00 N ATOM 638 CA LYS A 41 -6.833 3.540 0.203 1.00 0.00 C ATOM 639 C LYS A 41 -6.659 2.350 1.141 1.00 0.00 C ATOM 640 O LYS A 41 -5.969 2.442 2.157 1.00 0.00 O ATOM 641 CB LYS A 41 -6.515 3.130 -1.235 1.00 0.00 C ATOM 642 CG LYS A 41 -7.443 3.752 -2.265 1.00 0.00 C ATOM 643 CD LYS A 41 -8.735 2.967 -2.406 1.00 0.00 C ATOM 644 CE LYS A 41 -9.923 3.892 -2.618 1.00 0.00 C ATOM 645 NZ LYS A 41 -10.020 4.360 -4.028 1.00 0.00 N ATOM 0 H LYS A 41 -5.175 4.806 0.008 1.00 0.00 H new ATOM 0 HA LYS A 41 -7.872 3.865 0.259 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -5.488 3.413 -1.466 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -6.572 2.044 -1.315 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -7.671 4.778 -1.977 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -6.938 3.797 -3.230 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -8.654 2.277 -3.246 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -8.896 2.364 -1.513 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -10.841 3.372 -2.345 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -9.835 4.753 -1.955 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -10.843 4.988 -4.130 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -9.155 4.879 -4.282 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -10.130 3.541 -4.659 1.00 0.00 H new ATOM 659 N ARG A 42 -7.293 1.233 0.795 1.00 0.00 N ATOM 660 CA ARG A 42 -7.217 0.024 1.610 1.00 0.00 C ATOM 661 C ARG A 42 -5.862 -0.660 1.468 1.00 0.00 C ATOM 662 O ARG A 42 -5.323 -1.191 2.440 1.00 0.00 O ATOM 663 CB ARG A 42 -8.332 -0.953 1.227 1.00 0.00 C ATOM 664 CG ARG A 42 -9.722 -0.341 1.291 1.00 0.00 C ATOM 665 CD ARG A 42 -10.678 -1.207 2.095 1.00 0.00 C ATOM 666 NE ARG A 42 -11.500 -2.054 1.236 1.00 0.00 N ATOM 667 CZ ARG A 42 -12.664 -2.583 1.608 1.00 0.00 C ATOM 668 NH1 ARG A 42 -13.149 -2.353 2.822 1.00 0.00 N ATOM 669 NH2 ARG A 42 -13.345 -3.346 0.763 1.00 0.00 N ATOM 0 H ARG A 42 -7.865 1.140 -0.044 1.00 0.00 H new ATOM 0 HA ARG A 42 -7.342 0.323 2.651 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -8.151 -1.320 0.217 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -8.292 -1.816 1.892 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -9.663 0.651 1.740 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -10.110 -0.211 0.281 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -10.110 -1.832 2.784 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -11.323 -0.570 2.701 1.00 0.00 H new ATOM 0 HE ARG A 42 -11.162 -2.253 0.294 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -12.629 -1.768 3.476 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -14.041 -2.761 3.101 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -12.977 -3.527 -0.171 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -14.237 -3.752 1.047 1.00 0.00 H new ATOM 683 N ASN A 43 -5.321 -0.665 0.254 1.00 0.00 N ATOM 684 CA ASN A 43 -4.033 -1.298 0.008 1.00 0.00 C ATOM 685 C ASN A 43 -2.898 -0.349 0.364 1.00 0.00 C ATOM 686 O ASN A 43 -2.132 0.085 -0.497 1.00 0.00 O ATOM 687 CB ASN A 43 -3.919 -1.748 -1.450 1.00 0.00 C ATOM 688 CG ASN A 43 -3.120 -3.028 -1.603 1.00 0.00 C ATOM 689 OD1 ASN A 43 -1.890 -3.012 -1.602 1.00 0.00 O ATOM 690 ND2 ASN A 43 -3.818 -4.150 -1.737 1.00 0.00 N ATOM 0 H ASN A 43 -5.751 -0.241 -0.568 1.00 0.00 H new ATOM 0 HA ASN A 43 -3.959 -2.181 0.643 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -4.918 -1.896 -1.860 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -3.448 -0.958 -2.035 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -3.334 -5.042 -1.844 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -4.838 -4.120 -1.733 1.00 0.00 H new ATOM 697 N ASN A 44 -2.819 -0.017 1.647 1.00 0.00 N ATOM 698 CA ASN A 44 -1.798 0.893 2.152 1.00 0.00 C ATOM 699 C ASN A 44 -1.331 0.467 3.543 1.00 0.00 C ATOM 700 O ASN A 44 -1.972 0.788 4.543 1.00 0.00 O ATOM 701 CB ASN A 44 -2.344 2.322 2.213 1.00 0.00 C ATOM 702 CG ASN A 44 -2.794 2.840 0.860 1.00 0.00 C ATOM 703 OD1 ASN A 44 -3.577 2.196 0.163 1.00 0.00 O ATOM 704 ND2 ASN A 44 -2.300 4.013 0.483 1.00 0.00 N ATOM 0 H ASN A 44 -3.456 -0.368 2.362 1.00 0.00 H new ATOM 0 HA ASN A 44 -0.949 0.859 1.469 1.00 0.00 H new ATOM 0 HB2 ASN A 44 -3.184 2.355 2.907 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -1.574 2.983 2.612 1.00 0.00 H new ATOM 0 HD21 ASN A 44 -2.567 4.414 -0.416 1.00 0.00 H new ATOM 0 HD22 ASN A 44 -1.653 4.514 1.092 1.00 0.00 H new ATOM 711 N PHE A 45 -0.213 -0.250 3.604 1.00 0.00 N ATOM 712 CA PHE A 45 0.329 -0.709 4.882 1.00 0.00 C ATOM 713 C PHE A 45 1.481 0.176 5.323 1.00 0.00 C ATOM 714 O PHE A 45 2.113 0.838 4.503 1.00 0.00 O ATOM 715 CB PHE A 45 0.795 -2.163 4.773 1.00 0.00 C ATOM 716 CG PHE A 45 -0.216 -3.041 4.097 1.00 0.00 C ATOM 717 CD1 PHE A 45 -1.287 -3.547 4.811 1.00 0.00 C ATOM 718 CD2 PHE A 45 -0.116 -3.334 2.749 1.00 0.00 C ATOM 719 CE1 PHE A 45 -2.239 -4.332 4.193 1.00 0.00 C ATOM 720 CE2 PHE A 45 -1.067 -4.117 2.124 1.00 0.00 C ATOM 721 CZ PHE A 45 -2.131 -4.617 2.847 1.00 0.00 C ATOM 0 H PHE A 45 0.334 -0.526 2.789 1.00 0.00 H new ATOM 0 HA PHE A 45 -0.462 -0.648 5.630 1.00 0.00 H new ATOM 0 HB2 PHE A 45 1.732 -2.200 4.218 1.00 0.00 H new ATOM 0 HB3 PHE A 45 1.000 -2.551 5.771 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -1.379 -3.325 5.864 1.00 0.00 H new ATOM 0 HD2 PHE A 45 0.715 -2.946 2.179 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -3.069 -4.723 4.763 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -0.978 -4.338 1.071 1.00 0.00 H new ATOM 0 HZ PHE A 45 -2.876 -5.229 2.361 1.00 0.00 H new ATOM 731 N LYS A 46 1.741 0.198 6.623 1.00 0.00 N ATOM 732 CA LYS A 46 2.813 1.017 7.172 1.00 0.00 C ATOM 733 C LYS A 46 4.169 0.330 7.018 1.00 0.00 C ATOM 734 O LYS A 46 5.213 0.964 7.169 1.00 0.00 O ATOM 735 CB LYS A 46 2.543 1.318 8.647 1.00 0.00 C ATOM 736 CG LYS A 46 2.749 2.778 9.011 1.00 0.00 C ATOM 737 CD LYS A 46 2.569 3.013 10.502 1.00 0.00 C ATOM 738 CE LYS A 46 2.355 4.486 10.811 1.00 0.00 C ATOM 739 NZ LYS A 46 2.520 4.779 12.263 1.00 0.00 N ATOM 0 H LYS A 46 1.224 -0.342 7.317 1.00 0.00 H new ATOM 0 HA LYS A 46 2.842 1.953 6.613 1.00 0.00 H new ATOM 0 HB2 LYS A 46 1.519 1.032 8.887 1.00 0.00 H new ATOM 0 HB3 LYS A 46 3.199 0.702 9.262 1.00 0.00 H new ATOM 0 HG2 LYS A 46 3.749 3.091 8.711 1.00 0.00 H new ATOM 0 HG3 LYS A 46 2.042 3.395 8.457 1.00 0.00 H new ATOM 0 HD2 LYS A 46 1.717 2.437 10.862 1.00 0.00 H new ATOM 0 HD3 LYS A 46 3.447 2.652 11.037 1.00 0.00 H new ATOM 0 HE2 LYS A 46 3.063 5.084 10.237 1.00 0.00 H new ATOM 0 HE3 LYS A 46 1.356 4.782 10.492 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 2.366 5.794 12.432 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 1.827 4.228 12.809 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 3.482 4.520 12.562 1.00 0.00 H new ATOM 753 N SER A 47 4.148 -0.967 6.719 1.00 0.00 N ATOM 754 CA SER A 47 5.380 -1.725 6.552 1.00 0.00 C ATOM 755 C SER A 47 5.163 -2.960 5.689 1.00 0.00 C ATOM 756 O SER A 47 4.050 -3.482 5.587 1.00 0.00 O ATOM 757 CB SER A 47 5.933 -2.146 7.913 1.00 0.00 C ATOM 758 OG SER A 47 4.951 -2.028 8.926 1.00 0.00 O ATOM 0 H SER A 47 3.295 -1.510 6.588 1.00 0.00 H new ATOM 0 HA SER A 47 6.098 -1.076 6.050 1.00 0.00 H new ATOM 0 HB2 SER A 47 6.284 -3.177 7.862 1.00 0.00 H new ATOM 0 HB3 SER A 47 6.795 -1.528 8.165 1.00 0.00 H new ATOM 0 HG SER A 47 5.332 -2.306 9.785 1.00 0.00 H new ATOM 764 N ALA A 48 6.246 -3.433 5.081 1.00 0.00 N ATOM 765 CA ALA A 48 6.190 -4.616 4.239 1.00 0.00 C ATOM 766 C ALA A 48 5.652 -5.803 5.026 1.00 0.00 C ATOM 767 O ALA A 48 4.987 -6.681 4.473 1.00 0.00 O ATOM 768 CB ALA A 48 7.569 -4.927 3.675 1.00 0.00 C ATOM 0 H ALA A 48 7.172 -3.013 5.158 1.00 0.00 H new ATOM 0 HA ALA A 48 5.513 -4.421 3.407 1.00 0.00 H new ATOM 0 HB1 ALA A 48 7.513 -5.815 3.046 1.00 0.00 H new ATOM 0 HB2 ALA A 48 7.918 -4.083 3.080 1.00 0.00 H new ATOM 0 HB3 ALA A 48 8.265 -5.106 4.494 1.00 0.00 H new ATOM 774 N GLU A 49 5.935 -5.818 6.326 1.00 0.00 N ATOM 775 CA GLU A 49 5.469 -6.891 7.188 1.00 0.00 C ATOM 776 C GLU A 49 3.955 -6.834 7.325 1.00 0.00 C ATOM 777 O GLU A 49 3.280 -7.856 7.226 1.00 0.00 O ATOM 778 CB GLU A 49 6.131 -6.809 8.565 1.00 0.00 C ATOM 779 CG GLU A 49 7.500 -7.465 8.618 1.00 0.00 C ATOM 780 CD GLU A 49 8.500 -6.793 7.700 1.00 0.00 C ATOM 781 OE1 GLU A 49 8.823 -5.610 7.940 1.00 0.00 O ATOM 782 OE2 GLU A 49 8.961 -7.448 6.742 1.00 0.00 O ATOM 0 H GLU A 49 6.483 -5.100 6.801 1.00 0.00 H new ATOM 0 HA GLU A 49 5.746 -7.842 6.733 1.00 0.00 H new ATOM 0 HB2 GLU A 49 6.227 -5.762 8.852 1.00 0.00 H new ATOM 0 HB3 GLU A 49 5.481 -7.282 9.301 1.00 0.00 H new ATOM 0 HG2 GLU A 49 7.874 -7.436 9.641 1.00 0.00 H new ATOM 0 HG3 GLU A 49 7.407 -8.515 8.342 1.00 0.00 H new ATOM 789 N ASP A 50 3.420 -5.633 7.533 1.00 0.00 N ATOM 790 CA ASP A 50 1.978 -5.467 7.651 1.00 0.00 C ATOM 791 C ASP A 50 1.312 -5.961 6.377 1.00 0.00 C ATOM 792 O ASP A 50 0.259 -6.597 6.413 1.00 0.00 O ATOM 793 CB ASP A 50 1.616 -4.000 7.902 1.00 0.00 C ATOM 794 CG ASP A 50 1.208 -3.743 9.340 1.00 0.00 C ATOM 795 OD1 ASP A 50 1.797 -4.372 10.245 1.00 0.00 O ATOM 796 OD2 ASP A 50 0.300 -2.915 9.561 1.00 0.00 O ATOM 0 H ASP A 50 3.958 -4.771 7.622 1.00 0.00 H new ATOM 0 HA ASP A 50 1.623 -6.050 8.500 1.00 0.00 H new ATOM 0 HB2 ASP A 50 2.469 -3.370 7.651 1.00 0.00 H new ATOM 0 HB3 ASP A 50 0.801 -3.711 7.239 1.00 0.00 H new ATOM 801 N CYS A 51 1.956 -5.684 5.248 1.00 0.00 N ATOM 802 CA CYS A 51 1.455 -6.112 3.953 1.00 0.00 C ATOM 803 C CYS A 51 1.283 -7.621 3.938 1.00 0.00 C ATOM 804 O CYS A 51 0.166 -8.133 3.860 1.00 0.00 O ATOM 805 CB CYS A 51 2.440 -5.701 2.860 1.00 0.00 C ATOM 806 SG CYS A 51 1.685 -5.390 1.233 1.00 0.00 S ATOM 0 H CYS A 51 2.831 -5.162 5.207 1.00 0.00 H new ATOM 0 HA CYS A 51 0.490 -5.639 3.770 1.00 0.00 H new ATOM 0 HB2 CYS A 51 2.963 -4.800 3.181 1.00 0.00 H new ATOM 0 HB3 CYS A 51 3.191 -6.484 2.753 1.00 0.00 H new ATOM 811 N LEU A 52 2.401 -8.329 4.040 1.00 0.00 N ATOM 812 CA LEU A 52 2.370 -9.785 4.055 1.00 0.00 C ATOM 813 C LEU A 52 1.448 -10.272 5.167 1.00 0.00 C ATOM 814 O LEU A 52 0.797 -11.305 5.048 1.00 0.00 O ATOM 815 CB LEU A 52 3.778 -10.352 4.251 1.00 0.00 C ATOM 816 CG LEU A 52 4.806 -9.929 3.197 1.00 0.00 C ATOM 817 CD1 LEU A 52 6.101 -10.710 3.365 1.00 0.00 C ATOM 818 CD2 LEU A 52 4.245 -10.122 1.796 1.00 0.00 C ATOM 0 H LEU A 52 3.333 -7.922 4.113 1.00 0.00 H new ATOM 0 HA LEU A 52 1.989 -10.136 3.096 1.00 0.00 H new ATOM 0 HB2 LEU A 52 4.141 -10.047 5.232 1.00 0.00 H new ATOM 0 HB3 LEU A 52 3.716 -11.440 4.258 1.00 0.00 H new ATOM 0 HG LEU A 52 5.024 -8.870 3.338 1.00 0.00 H new ATOM 0 HD11 LEU A 52 6.817 -10.394 2.607 1.00 0.00 H new ATOM 0 HD12 LEU A 52 6.514 -10.521 4.356 1.00 0.00 H new ATOM 0 HD13 LEU A 52 5.900 -11.776 3.253 1.00 0.00 H new ATOM 0 HD21 LEU A 52 4.989 -9.816 1.061 1.00 0.00 H new ATOM 0 HD22 LEU A 52 3.996 -11.172 1.645 1.00 0.00 H new ATOM 0 HD23 LEU A 52 3.347 -9.516 1.677 1.00 0.00 H new ATOM 830 N ARG A 53 1.387 -9.506 6.248 1.00 0.00 N ATOM 831 CA ARG A 53 0.539 -9.853 7.378 1.00 0.00 C ATOM 832 C ARG A 53 -0.938 -9.702 7.023 1.00 0.00 C ATOM 833 O ARG A 53 -1.791 -10.370 7.607 1.00 0.00 O ATOM 834 CB ARG A 53 0.873 -8.975 8.584 1.00 0.00 C ATOM 835 CG ARG A 53 0.511 -9.605 9.917 1.00 0.00 C ATOM 836 CD ARG A 53 1.507 -9.219 10.999 1.00 0.00 C ATOM 837 NE ARG A 53 1.148 -9.780 12.301 1.00 0.00 N ATOM 838 CZ ARG A 53 0.725 -9.059 13.339 1.00 0.00 C ATOM 839 NH1 ARG A 53 0.606 -7.739 13.246 1.00 0.00 N ATOM 840 NH2 ARG A 53 0.422 -9.663 14.479 1.00 0.00 N ATOM 0 H ARG A 53 1.915 -8.641 6.365 1.00 0.00 H new ATOM 0 HA ARG A 53 0.729 -10.896 7.630 1.00 0.00 H new ATOM 0 HB2 ARG A 53 1.940 -8.752 8.575 1.00 0.00 H new ATOM 0 HB3 ARG A 53 0.348 -8.025 8.487 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -0.490 -9.289 10.211 1.00 0.00 H new ATOM 0 HG3 ARG A 53 0.485 -10.690 9.814 1.00 0.00 H new ATOM 0 HD2 ARG A 53 2.501 -9.566 10.717 1.00 0.00 H new ATOM 0 HD3 ARG A 53 1.558 -8.133 11.074 1.00 0.00 H new ATOM 0 HE ARG A 53 1.227 -10.790 12.423 1.00 0.00 H new ATOM 0 HH11 ARG A 53 0.839 -7.266 12.373 1.00 0.00 H new ATOM 0 HH12 ARG A 53 0.281 -7.198 14.048 1.00 0.00 H new ATOM 0 HH21 ARG A 53 0.513 -10.676 14.559 1.00 0.00 H new ATOM 0 HH22 ARG A 53 0.098 -9.115 15.276 1.00 0.00 H new ATOM 854 N THR A 54 -1.240 -8.815 6.074 1.00 0.00 N ATOM 855 CA THR A 54 -2.625 -8.577 5.673 1.00 0.00 C ATOM 856 C THR A 54 -3.043 -9.413 4.460 1.00 0.00 C ATOM 857 O THR A 54 -4.120 -10.008 4.459 1.00 0.00 O ATOM 858 CB THR A 54 -2.834 -7.094 5.376 1.00 0.00 C ATOM 859 OG1 THR A 54 -2.210 -6.295 6.363 1.00 0.00 O ATOM 860 CG2 THR A 54 -4.292 -6.701 5.327 1.00 0.00 C ATOM 0 H THR A 54 -0.550 -8.255 5.573 1.00 0.00 H new ATOM 0 HA THR A 54 -3.255 -8.885 6.507 1.00 0.00 H new ATOM 0 HB THR A 54 -2.392 -6.927 4.394 1.00 0.00 H new ATOM 0 HG1 THR A 54 -1.830 -5.495 5.944 1.00 0.00 H new ATOM 0 HG21 THR A 54 -4.375 -5.636 5.112 1.00 0.00 H new ATOM 0 HG22 THR A 54 -4.796 -7.269 4.545 1.00 0.00 H new ATOM 0 HG23 THR A 54 -4.759 -6.915 6.289 1.00 0.00 H new ATOM 868 N CYS A 55 -2.214 -9.435 3.418 1.00 0.00 N ATOM 869 CA CYS A 55 -2.553 -10.182 2.206 1.00 0.00 C ATOM 870 C CYS A 55 -1.851 -11.537 2.139 1.00 0.00 C ATOM 871 O CYS A 55 -2.210 -12.383 1.319 1.00 0.00 O ATOM 872 CB CYS A 55 -2.216 -9.355 0.961 1.00 0.00 C ATOM 873 SG CYS A 55 -2.497 -10.227 -0.615 1.00 0.00 S ATOM 0 H CYS A 55 -1.316 -8.953 3.386 1.00 0.00 H new ATOM 0 HA CYS A 55 -3.625 -10.374 2.239 1.00 0.00 H new ATOM 0 HB2 CYS A 55 -2.815 -8.444 0.971 1.00 0.00 H new ATOM 0 HB3 CYS A 55 -1.171 -9.050 1.013 1.00 0.00 H new ATOM 878 N GLY A 56 -0.849 -11.746 2.984 1.00 0.00 N ATOM 879 CA GLY A 56 -0.134 -13.011 2.969 1.00 0.00 C ATOM 880 C GLY A 56 0.518 -13.286 1.629 1.00 0.00 C ATOM 881 O GLY A 56 -0.112 -13.838 0.728 1.00 0.00 O ATOM 0 H GLY A 56 -0.520 -11.070 3.674 1.00 0.00 H new ATOM 0 HA2 GLY A 56 0.629 -13.004 3.747 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -0.825 -13.820 3.207 1.00 0.00 H new ATOM 885 N GLY A 57 1.783 -12.902 1.496 1.00 0.00 N ATOM 886 CA GLY A 57 2.497 -13.122 0.252 1.00 0.00 C ATOM 887 C GLY A 57 3.219 -14.455 0.235 1.00 0.00 C ATOM 888 O GLY A 57 2.586 -15.511 0.216 1.00 0.00 O ATOM 0 H GLY A 57 2.326 -12.443 2.227 1.00 0.00 H new ATOM 0 HA2 GLY A 57 1.795 -13.080 -0.580 1.00 0.00 H new ATOM 0 HA3 GLY A 57 3.218 -12.318 0.101 1.00 0.00 H new ATOM 892 N ALA A 58 4.548 -14.407 0.247 1.00 0.00 N ATOM 893 CA ALA A 58 5.357 -15.620 0.234 1.00 0.00 C ATOM 894 C ALA A 58 5.089 -16.443 -1.021 1.00 0.00 C ATOM 895 O ALA A 58 5.872 -17.377 -1.295 1.00 0.00 O ATOM 896 CB ALA A 58 5.085 -16.448 1.480 1.00 0.00 C ATOM 897 OXT ALA A 58 4.098 -16.146 -1.722 1.00 0.00 O ATOM 0 H ALA A 58 5.087 -13.541 0.266 1.00 0.00 H new ATOM 0 HA ALA A 58 6.407 -15.328 0.228 1.00 0.00 H new ATOM 0 HB1 ALA A 58 5.695 -17.351 1.457 1.00 0.00 H new ATOM 0 HB2 ALA A 58 5.333 -15.864 2.366 1.00 0.00 H new ATOM 0 HB3 ALA A 58 4.031 -16.724 1.511 1.00 0.00 H new TER 903 ALA A 58