USER MOD reduce.3.24.130724 H: found=0, std=0, add=246, rem=0, adj=6 USER MOD reduce.3.24.130724 removed 249 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 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 SER OG : rot 180:sc=-0.00269 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 LYS NZ :NH3+ 171:sc= -3.24! (180deg=-3.58!) USER MOD Single : A 33 TYR OH : rot -74:sc= 0.00953 USER MOD Single : A 34 ASN : amide:sc= 0 X(o=0,f=-0.0053) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 LYS NZ :NH3+ -158:sc= -0.0408 (180deg=-0.352) USER MOD Single : A 40 GLN : amide:sc= -0.0801 K(o=-0.08,f=-0.83) USER MOD Single : A 45 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 22 -21.843 -6.277 3.548 1.00 0.00 N ATOM 2 CA LEU A 22 -22.457 -4.932 3.698 1.00 0.00 C ATOM 3 C LEU A 22 -21.453 -3.925 4.253 1.00 0.00 C ATOM 4 O LEU A 22 -20.263 -4.218 4.368 1.00 0.00 O ATOM 5 CB LEU A 22 -23.661 -5.048 4.636 1.00 0.00 C ATOM 6 CG LEU A 22 -24.697 -6.099 4.233 1.00 0.00 C ATOM 7 CD1 LEU A 22 -24.413 -7.422 4.927 1.00 0.00 C ATOM 8 CD2 LEU A 22 -26.102 -5.615 4.560 1.00 0.00 C ATOM 0 HA LEU A 22 -22.775 -4.573 2.719 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -23.301 -5.281 5.638 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -24.154 -4.077 4.692 1.00 0.00 H new ATOM 0 HG LEU A 22 -24.629 -6.255 3.156 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -25.160 -8.157 4.628 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -23.422 -7.776 4.644 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -24.453 -7.282 6.007 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -26.826 -6.375 4.267 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -26.183 -5.431 5.631 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -26.305 -4.692 4.017 1.00 0.00 H new ATOM 22 N TYR A 23 -21.944 -2.738 4.600 1.00 0.00 N ATOM 23 CA TYR A 23 -21.082 -1.679 5.152 1.00 0.00 C ATOM 24 C TYR A 23 -19.910 -1.385 4.207 1.00 0.00 C ATOM 25 O TYR A 23 -19.741 -2.077 3.203 1.00 0.00 O ATOM 26 CB TYR A 23 -20.554 -2.106 6.528 1.00 0.00 C ATOM 27 CG TYR A 23 -21.606 -2.739 7.409 1.00 0.00 C ATOM 28 CD1 TYR A 23 -21.848 -4.106 7.367 1.00 0.00 C ATOM 29 CD2 TYR A 23 -22.358 -1.965 8.283 1.00 0.00 C ATOM 30 CE1 TYR A 23 -22.810 -4.684 8.173 1.00 0.00 C ATOM 31 CE2 TYR A 23 -23.321 -2.535 9.093 1.00 0.00 C ATOM 32 CZ TYR A 23 -23.544 -3.895 9.034 1.00 0.00 C ATOM 33 OH TYR A 23 -24.502 -4.467 9.839 1.00 0.00 O ATOM 0 H TYR A 23 -22.927 -2.480 4.512 1.00 0.00 H new ATOM 0 HA TYR A 23 -21.673 -0.769 5.258 1.00 0.00 H new ATOM 0 HB2 TYR A 23 -19.734 -2.811 6.391 1.00 0.00 H new ATOM 0 HB3 TYR A 23 -20.142 -1.234 7.037 1.00 0.00 H new ATOM 0 HD1 TYR A 23 -21.275 -4.727 6.694 1.00 0.00 H new ATOM 0 HD2 TYR A 23 -22.187 -0.900 8.330 1.00 0.00 H new ATOM 0 HE1 TYR A 23 -22.986 -5.749 8.129 1.00 0.00 H new ATOM 0 HE2 TYR A 23 -23.896 -1.919 9.769 1.00 0.00 H new ATOM 0 HH TYR A 23 -24.926 -3.773 10.386 1.00 0.00 H new ATOM 43 N PRO A 24 -19.066 -0.370 4.510 1.00 0.00 N ATOM 44 CA PRO A 24 -17.915 -0.036 3.675 1.00 0.00 C ATOM 45 C PRO A 24 -16.960 -1.193 3.529 1.00 0.00 C ATOM 46 O PRO A 24 -17.168 -2.269 4.090 1.00 0.00 O ATOM 47 CB PRO A 24 -17.223 1.081 4.465 1.00 0.00 C ATOM 48 CG PRO A 24 -18.294 1.680 5.269 1.00 0.00 C ATOM 49 CD PRO A 24 -19.127 0.522 5.682 1.00 0.00 C ATOM 0 HA PRO A 24 -18.218 0.237 2.664 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -16.427 0.686 5.096 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -16.768 1.815 3.800 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -17.894 2.212 6.132 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -18.872 2.401 4.690 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -18.732 0.040 6.576 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -20.150 0.822 5.907 1.00 0.00 H new ATOM 57 N ASP A 25 -15.873 -0.936 2.829 1.00 0.00 N ATOM 58 CA ASP A 25 -14.834 -1.915 2.670 1.00 0.00 C ATOM 59 C ASP A 25 -14.231 -2.162 4.035 1.00 0.00 C ATOM 60 O ASP A 25 -13.600 -3.186 4.294 1.00 0.00 O ATOM 61 CB ASP A 25 -13.788 -1.370 1.713 1.00 0.00 C ATOM 62 CG ASP A 25 -13.140 -2.450 0.869 1.00 0.00 C ATOM 63 OD1 ASP A 25 -12.119 -3.017 1.311 1.00 0.00 O ATOM 64 OD2 ASP A 25 -13.654 -2.729 -0.235 1.00 0.00 O ATOM 0 H ASP A 25 -15.692 -0.048 2.361 1.00 0.00 H new ATOM 0 HA ASP A 25 -15.221 -2.849 2.262 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -14.252 -0.633 1.057 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -13.018 -0.850 2.283 1.00 0.00 H new ATOM 69 N LEU A 26 -14.439 -1.173 4.899 1.00 0.00 N ATOM 70 CA LEU A 26 -13.943 -1.192 6.251 1.00 0.00 C ATOM 71 C LEU A 26 -12.423 -1.124 6.260 1.00 0.00 C ATOM 72 O LEU A 26 -11.796 -1.074 7.318 1.00 0.00 O ATOM 73 CB LEU A 26 -14.450 -2.428 6.999 1.00 0.00 C ATOM 74 CG LEU A 26 -15.368 -2.131 8.186 1.00 0.00 C ATOM 75 CD1 LEU A 26 -15.857 -3.424 8.819 1.00 0.00 C ATOM 76 CD2 LEU A 26 -14.647 -1.271 9.214 1.00 0.00 C ATOM 0 H LEU A 26 -14.964 -0.330 4.667 1.00 0.00 H new ATOM 0 HA LEU A 26 -14.322 -0.313 6.772 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -14.985 -3.066 6.296 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -13.591 -2.996 7.356 1.00 0.00 H new ATOM 0 HG LEU A 26 -16.234 -1.579 7.822 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -16.509 -3.193 9.662 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -16.411 -4.004 8.081 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -15.003 -4.003 9.169 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -15.314 -1.069 10.052 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -13.763 -1.798 9.573 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -14.347 -0.329 8.754 1.00 0.00 H new ATOM 88 N SER A 27 -11.839 -1.107 5.066 1.00 0.00 N ATOM 89 CA SER A 27 -10.402 -1.029 4.924 1.00 0.00 C ATOM 90 C SER A 27 -9.994 -0.207 3.703 1.00 0.00 C ATOM 91 O SER A 27 -8.827 -0.221 3.313 1.00 0.00 O ATOM 92 CB SER A 27 -9.796 -2.418 4.830 1.00 0.00 C ATOM 93 OG SER A 27 -10.174 -3.219 5.937 1.00 0.00 O ATOM 0 H SER A 27 -12.348 -1.147 4.183 1.00 0.00 H new ATOM 0 HA SER A 27 -10.020 -0.527 5.813 1.00 0.00 H new ATOM 0 HB2 SER A 27 -10.118 -2.896 3.905 1.00 0.00 H new ATOM 0 HB3 SER A 27 -8.710 -2.341 4.788 1.00 0.00 H new ATOM 0 HG SER A 27 -9.771 -4.108 5.850 1.00 0.00 H new ATOM 99 N GLU A 28 -10.936 0.527 3.104 1.00 0.00 N ATOM 100 CA GLU A 28 -10.613 1.353 1.949 1.00 0.00 C ATOM 101 C GLU A 28 -9.952 2.654 2.415 1.00 0.00 C ATOM 102 O GLU A 28 -10.232 3.744 1.917 1.00 0.00 O ATOM 103 CB GLU A 28 -11.866 1.647 1.123 1.00 0.00 C ATOM 104 CG GLU A 28 -12.156 0.589 0.072 1.00 0.00 C ATOM 105 CD GLU A 28 -11.490 0.888 -1.257 1.00 0.00 C ATOM 106 OE1 GLU A 28 -10.283 0.597 -1.395 1.00 0.00 O ATOM 107 OE2 GLU A 28 -12.175 1.413 -2.160 1.00 0.00 O ATOM 0 H GLU A 28 -11.912 0.563 3.398 1.00 0.00 H new ATOM 0 HA GLU A 28 -9.915 0.810 1.311 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -12.723 1.729 1.792 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -11.751 2.614 0.633 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -11.815 -0.381 0.435 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -13.233 0.514 -0.075 1.00 0.00 H new ATOM 114 N ILE A 29 -9.057 2.482 3.373 1.00 0.00 N ATOM 115 CA ILE A 29 -8.266 3.533 3.991 1.00 0.00 C ATOM 116 C ILE A 29 -7.336 2.783 4.905 1.00 0.00 C ATOM 117 O ILE A 29 -7.219 3.014 6.108 1.00 0.00 O ATOM 118 CB ILE A 29 -9.112 4.556 4.776 1.00 0.00 C ATOM 119 CG1 ILE A 29 -8.208 5.603 5.430 1.00 0.00 C ATOM 120 CG2 ILE A 29 -9.963 3.852 5.822 1.00 0.00 C ATOM 121 CD1 ILE A 29 -8.076 6.875 4.622 1.00 0.00 C ATOM 0 H ILE A 29 -8.852 1.561 3.760 1.00 0.00 H new ATOM 0 HA ILE A 29 -7.753 4.137 3.243 1.00 0.00 H new ATOM 0 HB ILE A 29 -9.779 5.064 4.079 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -8.603 5.848 6.416 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -7.218 5.173 5.581 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -10.553 4.589 6.367 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -10.630 3.143 5.331 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -9.316 3.319 6.519 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -7.421 7.572 5.145 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -7.652 6.643 3.645 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -9.059 7.328 4.493 1.00 0.00 H new ATOM 133 N LYS A 30 -6.760 1.808 4.247 1.00 0.00 N ATOM 134 CA LYS A 30 -5.878 0.823 4.801 1.00 0.00 C ATOM 135 C LYS A 30 -5.352 0.031 3.622 1.00 0.00 C ATOM 136 O LYS A 30 -4.160 -0.218 3.491 1.00 0.00 O ATOM 137 CB LYS A 30 -6.661 -0.074 5.751 1.00 0.00 C ATOM 138 CG LYS A 30 -5.835 -0.632 6.898 1.00 0.00 C ATOM 139 CD LYS A 30 -5.307 -2.023 6.582 1.00 0.00 C ATOM 140 CE LYS A 30 -3.798 -2.099 6.750 1.00 0.00 C ATOM 141 NZ LYS A 30 -3.345 -3.478 7.084 1.00 0.00 N ATOM 0 H LYS A 30 -6.907 1.677 3.246 1.00 0.00 H new ATOM 0 HA LYS A 30 -5.060 1.267 5.367 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -7.498 0.492 6.161 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -7.084 -0.904 5.185 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -4.999 0.037 7.105 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -6.444 -0.670 7.801 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -5.784 -2.752 7.237 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -5.574 -2.291 5.560 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -3.313 -1.770 5.831 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -3.485 -1.413 7.538 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -2.310 -3.487 7.190 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -3.787 -3.783 7.975 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -3.620 -4.128 6.321 1.00 0.00 H new ATOM 155 N LYS A 31 -6.298 -0.278 2.730 1.00 0.00 N ATOM 156 CA LYS A 31 -6.045 -0.953 1.483 1.00 0.00 C ATOM 157 C LYS A 31 -5.388 0.050 0.553 1.00 0.00 C ATOM 158 O LYS A 31 -4.312 -0.185 0.003 1.00 0.00 O ATOM 159 CB LYS A 31 -7.378 -1.404 0.894 1.00 0.00 C ATOM 160 CG LYS A 31 -7.253 -2.497 -0.143 1.00 0.00 C ATOM 161 CD LYS A 31 -8.065 -2.151 -1.370 1.00 0.00 C ATOM 162 CE LYS A 31 -7.516 -0.915 -2.066 1.00 0.00 C ATOM 163 NZ LYS A 31 -6.524 -1.266 -3.119 1.00 0.00 N ATOM 0 H LYS A 31 -7.283 -0.053 2.873 1.00 0.00 H new ATOM 0 HA LYS A 31 -5.402 -1.822 1.622 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -8.020 -1.755 1.702 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -7.874 -0.544 0.443 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -6.206 -2.630 -0.417 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -7.596 -3.444 0.274 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -8.059 -2.993 -2.062 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -9.103 -1.980 -1.085 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -8.337 -0.355 -2.513 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -7.048 -0.261 -1.330 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -6.288 -0.416 -3.671 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -5.662 -1.640 -2.673 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -6.928 -1.987 -3.750 1.00 0.00 H new ATOM 177 N GLU A 32 -6.039 1.206 0.448 1.00 0.00 N ATOM 178 CA GLU A 32 -5.531 2.320 -0.344 1.00 0.00 C ATOM 179 C GLU A 32 -4.230 2.778 0.276 1.00 0.00 C ATOM 180 O GLU A 32 -3.324 3.246 -0.408 1.00 0.00 O ATOM 181 CB GLU A 32 -6.526 3.484 -0.374 1.00 0.00 C ATOM 182 CG GLU A 32 -7.949 3.067 -0.100 1.00 0.00 C ATOM 183 CD GLU A 32 -8.948 3.702 -1.049 1.00 0.00 C ATOM 184 OE1 GLU A 32 -8.570 4.659 -1.758 1.00 0.00 O ATOM 185 OE2 GLU A 32 -10.109 3.242 -1.083 1.00 0.00 O ATOM 0 H GLU A 32 -6.930 1.395 0.908 1.00 0.00 H new ATOM 0 HA GLU A 32 -5.379 1.991 -1.372 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -6.225 4.228 0.364 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -6.479 3.967 -1.350 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -8.024 1.982 -0.175 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -8.209 3.334 0.924 1.00 0.00 H new ATOM 192 N TYR A 33 -4.142 2.562 1.585 1.00 0.00 N ATOM 193 CA TYR A 33 -2.956 2.871 2.354 1.00 0.00 C ATOM 194 C TYR A 33 -1.981 1.759 2.116 1.00 0.00 C ATOM 195 O TYR A 33 -0.764 1.923 2.182 1.00 0.00 O ATOM 196 CB TYR A 33 -3.328 2.968 3.827 1.00 0.00 C ATOM 197 CG TYR A 33 -2.222 2.560 4.761 1.00 0.00 C ATOM 198 CD1 TYR A 33 -1.148 3.399 4.997 1.00 0.00 C ATOM 199 CD2 TYR A 33 -2.256 1.333 5.398 1.00 0.00 C ATOM 200 CE1 TYR A 33 -0.129 3.028 5.854 1.00 0.00 C ATOM 201 CE2 TYR A 33 -1.244 0.948 6.257 1.00 0.00 C ATOM 202 CZ TYR A 33 -0.182 1.800 6.483 1.00 0.00 C ATOM 203 OH TYR A 33 0.829 1.424 7.337 1.00 0.00 O ATOM 0 H TYR A 33 -4.900 2.165 2.139 1.00 0.00 H new ATOM 0 HA TYR A 33 -2.515 3.823 2.058 1.00 0.00 H new ATOM 0 HB2 TYR A 33 -3.620 3.994 4.051 1.00 0.00 H new ATOM 0 HB3 TYR A 33 -4.199 2.340 4.014 1.00 0.00 H new ATOM 0 HD1 TYR A 33 -1.105 4.359 4.504 1.00 0.00 H new ATOM 0 HD2 TYR A 33 -3.086 0.665 5.221 1.00 0.00 H new ATOM 0 HE1 TYR A 33 0.703 3.694 6.030 1.00 0.00 H new ATOM 0 HE2 TYR A 33 -1.284 -0.013 6.748 1.00 0.00 H new ATOM 0 HH TYR A 33 1.625 1.185 6.817 1.00 0.00 H new ATOM 213 N ASN A 34 -2.565 0.628 1.802 1.00 0.00 N ATOM 214 CA ASN A 34 -1.836 -0.551 1.498 1.00 0.00 C ATOM 215 C ASN A 34 -1.377 -0.507 0.064 1.00 0.00 C ATOM 216 O ASN A 34 -0.587 -1.338 -0.382 1.00 0.00 O ATOM 217 CB ASN A 34 -2.725 -1.755 1.704 1.00 0.00 C ATOM 218 CG ASN A 34 -1.967 -2.977 2.181 1.00 0.00 C ATOM 219 OD1 ASN A 34 -1.446 -3.004 3.297 1.00 0.00 O ATOM 220 ND2 ASN A 34 -1.899 -3.999 1.335 1.00 0.00 N ATOM 0 H ASN A 34 -3.577 0.513 1.753 1.00 0.00 H new ATOM 0 HA ASN A 34 -0.967 -0.620 2.153 1.00 0.00 H new ATOM 0 HB2 ASN A 34 -3.499 -1.508 2.431 1.00 0.00 H new ATOM 0 HB3 ASN A 34 -3.231 -1.991 0.768 1.00 0.00 H new ATOM 0 HD21 ASN A 34 -1.401 -4.848 1.600 1.00 0.00 H new ATOM 0 HD22 ASN A 34 -2.345 -3.934 0.420 1.00 0.00 H new ATOM 227 N VAL A 35 -1.895 0.470 -0.657 1.00 0.00 N ATOM 228 CA VAL A 35 -1.559 0.626 -2.037 1.00 0.00 C ATOM 229 C VAL A 35 -0.496 1.673 -2.206 1.00 0.00 C ATOM 230 O VAL A 35 0.536 1.434 -2.816 1.00 0.00 O ATOM 231 CB VAL A 35 -2.786 0.976 -2.893 1.00 0.00 C ATOM 232 CG1 VAL A 35 -2.398 1.148 -4.356 1.00 0.00 C ATOM 233 CG2 VAL A 35 -3.864 -0.088 -2.739 1.00 0.00 C ATOM 0 H VAL A 35 -2.551 1.163 -0.297 1.00 0.00 H new ATOM 0 HA VAL A 35 -1.176 -0.333 -2.385 1.00 0.00 H new ATOM 0 HB VAL A 35 -3.189 1.926 -2.540 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -3.284 1.395 -4.941 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -1.667 1.952 -4.447 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -1.964 0.220 -4.729 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -4.726 0.176 -3.352 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -3.472 -1.053 -3.061 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -4.167 -0.150 -1.694 1.00 0.00 H new ATOM 243 N LYS A 36 -0.750 2.824 -1.637 1.00 0.00 N ATOM 244 CA LYS A 36 0.185 3.908 -1.685 1.00 0.00 C ATOM 245 C LYS A 36 1.468 3.502 -0.990 1.00 0.00 C ATOM 246 O LYS A 36 2.551 4.011 -1.274 1.00 0.00 O ATOM 247 CB LYS A 36 -0.396 5.140 -1.017 1.00 0.00 C ATOM 248 CG LYS A 36 -1.163 4.841 0.260 1.00 0.00 C ATOM 249 CD LYS A 36 -2.513 5.536 0.250 1.00 0.00 C ATOM 250 CE LYS A 36 -2.404 6.989 0.687 1.00 0.00 C ATOM 251 NZ LYS A 36 -2.847 7.925 -0.383 1.00 0.00 N ATOM 0 H LYS A 36 -1.610 3.031 -1.130 1.00 0.00 H new ATOM 0 HA LYS A 36 0.396 4.146 -2.728 1.00 0.00 H new ATOM 0 HB2 LYS A 36 0.413 5.834 -0.790 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -1.060 5.644 -1.719 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -1.303 3.765 0.363 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -0.585 5.171 1.123 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -2.939 5.489 -0.752 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -3.199 5.008 0.912 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -3.009 7.146 1.580 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -1.372 7.210 0.958 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -2.757 8.905 -0.046 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -2.254 7.793 -1.227 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -3.840 7.731 -0.624 1.00 0.00 H new ATOM 265 N GLU A 37 1.304 2.554 -0.084 1.00 0.00 N ATOM 266 CA GLU A 37 2.408 1.997 0.694 1.00 0.00 C ATOM 267 C GLU A 37 3.137 0.944 -0.135 1.00 0.00 C ATOM 268 O GLU A 37 4.317 0.665 0.071 1.00 0.00 O ATOM 269 CB GLU A 37 1.878 1.376 1.990 1.00 0.00 C ATOM 270 CG GLU A 37 2.939 0.663 2.814 1.00 0.00 C ATOM 271 CD GLU A 37 3.290 1.409 4.086 1.00 0.00 C ATOM 272 OE1 GLU A 37 3.609 2.613 3.999 1.00 0.00 O ATOM 273 OE2 GLU A 37 3.246 0.789 5.170 1.00 0.00 O ATOM 0 H GLU A 37 0.397 2.143 0.137 1.00 0.00 H new ATOM 0 HA GLU A 37 3.105 2.795 0.951 1.00 0.00 H new ATOM 0 HB2 GLU A 37 1.426 2.160 2.598 1.00 0.00 H new ATOM 0 HB3 GLU A 37 1.087 0.668 1.744 1.00 0.00 H new ATOM 0 HG2 GLU A 37 2.585 -0.336 3.069 1.00 0.00 H new ATOM 0 HG3 GLU A 37 3.838 0.538 2.211 1.00 0.00 H new ATOM 280 N LYS A 38 2.407 0.389 -1.092 1.00 0.00 N ATOM 281 CA LYS A 38 2.914 -0.608 -1.998 1.00 0.00 C ATOM 282 C LYS A 38 3.369 0.060 -3.256 1.00 0.00 C ATOM 283 O LYS A 38 4.327 -0.354 -3.889 1.00 0.00 O ATOM 284 CB LYS A 38 1.825 -1.613 -2.313 1.00 0.00 C ATOM 285 CG LYS A 38 2.223 -2.639 -3.354 1.00 0.00 C ATOM 286 CD LYS A 38 1.027 -3.455 -3.812 1.00 0.00 C ATOM 287 CE LYS A 38 1.283 -4.115 -5.157 1.00 0.00 C ATOM 288 NZ LYS A 38 1.378 -3.118 -6.259 1.00 0.00 N ATOM 0 H LYS A 38 1.429 0.630 -1.256 1.00 0.00 H new ATOM 0 HA LYS A 38 3.754 -1.129 -1.538 1.00 0.00 H new ATOM 0 HB2 LYS A 38 1.544 -2.130 -1.395 1.00 0.00 H new ATOM 0 HB3 LYS A 38 0.941 -1.079 -2.662 1.00 0.00 H new ATOM 0 HG2 LYS A 38 2.672 -2.136 -4.210 1.00 0.00 H new ATOM 0 HG3 LYS A 38 2.982 -3.303 -2.941 1.00 0.00 H new ATOM 0 HD2 LYS A 38 0.801 -4.219 -3.068 1.00 0.00 H new ATOM 0 HD3 LYS A 38 0.151 -2.810 -3.883 1.00 0.00 H new ATOM 0 HE2 LYS A 38 2.207 -4.691 -5.108 1.00 0.00 H new ATOM 0 HE3 LYS A 38 0.480 -4.819 -5.374 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 1.180 -3.584 -7.167 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 0.685 -2.359 -6.101 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 2.336 -2.713 -6.279 1.00 0.00 H new ATOM 302 N ASP A 39 2.695 1.136 -3.576 1.00 0.00 N ATOM 303 CA ASP A 39 3.054 1.920 -4.736 1.00 0.00 C ATOM 304 C ASP A 39 4.273 2.757 -4.391 1.00 0.00 C ATOM 305 O ASP A 39 4.679 3.645 -5.141 1.00 0.00 O ATOM 306 CB ASP A 39 1.896 2.808 -5.160 1.00 0.00 C ATOM 307 CG ASP A 39 1.798 2.960 -6.666 1.00 0.00 C ATOM 308 OD1 ASP A 39 2.853 3.111 -7.316 1.00 0.00 O ATOM 309 OD2 ASP A 39 0.667 2.928 -7.194 1.00 0.00 O ATOM 0 H ASP A 39 1.895 1.491 -3.052 1.00 0.00 H new ATOM 0 HA ASP A 39 3.285 1.260 -5.572 1.00 0.00 H new ATOM 0 HB2 ASP A 39 0.964 2.390 -4.779 1.00 0.00 H new ATOM 0 HB3 ASP A 39 2.013 3.792 -4.706 1.00 0.00 H new ATOM 314 N GLN A 40 4.836 2.464 -3.221 1.00 0.00 N ATOM 315 CA GLN A 40 5.983 3.167 -2.719 1.00 0.00 C ATOM 316 C GLN A 40 7.034 2.217 -2.129 1.00 0.00 C ATOM 317 O GLN A 40 8.225 2.524 -2.131 1.00 0.00 O ATOM 318 CB GLN A 40 5.510 4.182 -1.680 1.00 0.00 C ATOM 319 CG GLN A 40 5.277 3.606 -0.291 1.00 0.00 C ATOM 320 CD GLN A 40 5.730 4.544 0.812 1.00 0.00 C ATOM 321 OE1 GLN A 40 5.810 5.757 0.617 1.00 0.00 O ATOM 322 NE2 GLN A 40 6.030 3.985 1.978 1.00 0.00 N ATOM 0 H GLN A 40 4.498 1.727 -2.602 1.00 0.00 H new ATOM 0 HA GLN A 40 6.473 3.681 -3.546 1.00 0.00 H new ATOM 0 HB2 GLN A 40 6.249 4.980 -1.609 1.00 0.00 H new ATOM 0 HB3 GLN A 40 4.583 4.636 -2.031 1.00 0.00 H new ATOM 0 HG2 GLN A 40 4.216 3.388 -0.165 1.00 0.00 H new ATOM 0 HG3 GLN A 40 5.810 2.660 -0.200 1.00 0.00 H new ATOM 0 HE21 GLN A 40 5.949 2.975 2.095 1.00 0.00 H new ATOM 0 HE22 GLN A 40 6.341 4.565 2.757 1.00 0.00 H new ATOM 331 N VAL A 41 6.587 1.070 -1.611 1.00 0.00 N ATOM 332 CA VAL A 41 7.498 0.100 -1.008 1.00 0.00 C ATOM 333 C VAL A 41 8.276 -0.672 -2.060 1.00 0.00 C ATOM 334 O VAL A 41 9.479 -0.873 -1.916 1.00 0.00 O ATOM 335 CB VAL A 41 6.751 -0.871 -0.074 1.00 0.00 C ATOM 336 CG1 VAL A 41 7.472 -2.209 0.043 1.00 0.00 C ATOM 337 CG2 VAL A 41 6.565 -0.243 1.299 1.00 0.00 C ATOM 0 H VAL A 41 5.605 0.793 -1.598 1.00 0.00 H new ATOM 0 HA VAL A 41 8.212 0.668 -0.411 1.00 0.00 H new ATOM 0 HB VAL A 41 5.772 -1.065 -0.511 1.00 0.00 H new ATOM 0 HG11 VAL A 41 6.914 -2.866 0.710 1.00 0.00 H new ATOM 0 HG12 VAL A 41 7.546 -2.670 -0.942 1.00 0.00 H new ATOM 0 HG13 VAL A 41 8.473 -2.049 0.445 1.00 0.00 H new ATOM 0 HG21 VAL A 41 6.036 -0.940 1.949 1.00 0.00 H new ATOM 0 HG22 VAL A 41 7.540 -0.014 1.729 1.00 0.00 H new ATOM 0 HG23 VAL A 41 5.986 0.675 1.204 1.00 0.00 H new ATOM 347 N GLU A 42 7.593 -1.102 -3.114 1.00 0.00 N ATOM 348 CA GLU A 42 8.254 -1.852 -4.196 1.00 0.00 C ATOM 349 C GLU A 42 9.635 -1.258 -4.467 1.00 0.00 C ATOM 350 O GLU A 42 10.586 -1.974 -4.777 1.00 0.00 O ATOM 351 CB GLU A 42 7.441 -1.862 -5.508 1.00 0.00 C ATOM 352 CG GLU A 42 6.132 -1.086 -5.483 1.00 0.00 C ATOM 353 CD GLU A 42 5.635 -0.747 -6.875 1.00 0.00 C ATOM 354 OE1 GLU A 42 6.477 -0.485 -7.759 1.00 0.00 O ATOM 355 OE2 GLU A 42 4.403 -0.743 -7.080 1.00 0.00 O ATOM 0 H GLU A 42 6.593 -0.951 -3.250 1.00 0.00 H new ATOM 0 HA GLU A 42 8.337 -2.885 -3.857 1.00 0.00 H new ATOM 0 HB2 GLU A 42 8.066 -1.457 -6.304 1.00 0.00 H new ATOM 0 HB3 GLU A 42 7.223 -2.897 -5.770 1.00 0.00 H new ATOM 0 HG2 GLU A 42 5.375 -1.672 -4.963 1.00 0.00 H new ATOM 0 HG3 GLU A 42 6.269 -0.166 -4.915 1.00 0.00 H new ATOM 362 N ASP A 43 9.727 0.061 -4.321 1.00 0.00 N ATOM 363 CA ASP A 43 10.977 0.781 -4.518 1.00 0.00 C ATOM 364 C ASP A 43 12.046 0.248 -3.595 1.00 0.00 C ATOM 365 O ASP A 43 13.177 -0.010 -4.001 1.00 0.00 O ATOM 366 CB ASP A 43 10.768 2.266 -4.235 1.00 0.00 C ATOM 367 CG ASP A 43 10.674 3.096 -5.500 1.00 0.00 C ATOM 368 OD1 ASP A 43 11.712 3.273 -6.172 1.00 0.00 O ATOM 369 OD2 ASP A 43 9.563 3.569 -5.818 1.00 0.00 O ATOM 0 H ASP A 43 8.940 0.657 -4.064 1.00 0.00 H new ATOM 0 HA ASP A 43 11.295 0.642 -5.551 1.00 0.00 H new ATOM 0 HB2 ASP A 43 9.856 2.396 -3.652 1.00 0.00 H new ATOM 0 HB3 ASP A 43 11.592 2.635 -3.624 1.00 0.00 H new ATOM 374 N LEU A 44 11.671 0.092 -2.347 1.00 0.00 N ATOM 375 CA LEU A 44 12.577 -0.400 -1.337 1.00 0.00 C ATOM 376 C LEU A 44 12.893 -1.880 -1.525 1.00 0.00 C ATOM 377 O LEU A 44 13.364 -2.556 -0.611 1.00 0.00 O ATOM 378 CB LEU A 44 12.024 -0.116 0.051 1.00 0.00 C ATOM 379 CG LEU A 44 12.319 1.301 0.528 1.00 0.00 C ATOM 380 CD1 LEU A 44 11.031 2.040 0.859 1.00 0.00 C ATOM 381 CD2 LEU A 44 13.255 1.284 1.728 1.00 0.00 C ATOM 0 H LEU A 44 10.733 0.302 -2.005 1.00 0.00 H new ATOM 0 HA LEU A 44 13.521 0.133 -1.445 1.00 0.00 H new ATOM 0 HB2 LEU A 44 10.946 -0.275 0.047 1.00 0.00 H new ATOM 0 HB3 LEU A 44 12.449 -0.828 0.759 1.00 0.00 H new ATOM 0 HG LEU A 44 12.816 1.834 -0.283 1.00 0.00 H new ATOM 0 HD11 LEU A 44 11.267 3.049 1.197 1.00 0.00 H new ATOM 0 HD12 LEU A 44 10.403 2.093 -0.030 1.00 0.00 H new ATOM 0 HD13 LEU A 44 10.499 1.508 1.648 1.00 0.00 H new ATOM 0 HD21 LEU A 44 13.451 2.306 2.051 1.00 0.00 H new ATOM 0 HD22 LEU A 44 12.791 0.729 2.543 1.00 0.00 H new ATOM 0 HD23 LEU A 44 14.194 0.805 1.450 1.00 0.00 H new ATOM 393 N ASN A 45 12.661 -2.349 -2.737 1.00 0.00 N ATOM 394 CA ASN A 45 12.939 -3.721 -3.123 1.00 0.00 C ATOM 395 C ASN A 45 13.486 -3.726 -4.545 1.00 0.00 C ATOM 396 O ASN A 45 14.398 -4.484 -4.877 1.00 0.00 O ATOM 397 CB ASN A 45 11.674 -4.573 -3.025 1.00 0.00 C ATOM 398 CG ASN A 45 11.782 -5.651 -1.964 1.00 0.00 C ATOM 399 OD1 ASN A 45 11.373 -5.454 -0.820 1.00 0.00 O ATOM 400 ND2 ASN A 45 12.335 -6.798 -2.340 1.00 0.00 N ATOM 0 H ASN A 45 12.270 -1.782 -3.490 1.00 0.00 H new ATOM 0 HA ASN A 45 13.678 -4.151 -2.447 1.00 0.00 H new ATOM 0 HB2 ASN A 45 10.823 -3.930 -2.800 1.00 0.00 H new ATOM 0 HB3 ASN A 45 11.476 -5.037 -3.991 1.00 0.00 H new ATOM 0 HD21 ASN A 45 12.435 -7.560 -1.669 1.00 0.00 H new ATOM 0 HD22 ASN A 45 12.660 -6.917 -3.299 1.00 0.00 H new ATOM 407 N LEU A 46 12.939 -2.834 -5.366 1.00 0.00 N ATOM 408 CA LEU A 46 13.374 -2.674 -6.742 1.00 0.00 C ATOM 409 C LEU A 46 13.898 -1.260 -6.922 1.00 0.00 C ATOM 410 O LEU A 46 13.591 -0.572 -7.896 1.00 0.00 O ATOM 411 CB LEU A 46 12.228 -2.952 -7.714 1.00 0.00 C ATOM 412 CG LEU A 46 12.133 -4.397 -8.207 1.00 0.00 C ATOM 413 CD1 LEU A 46 10.752 -4.677 -8.779 1.00 0.00 C ATOM 414 CD2 LEU A 46 13.209 -4.675 -9.246 1.00 0.00 C ATOM 0 H LEU A 46 12.184 -2.205 -5.093 1.00 0.00 H new ATOM 0 HA LEU A 46 14.165 -3.392 -6.959 1.00 0.00 H new ATOM 0 HB2 LEU A 46 11.288 -2.687 -7.229 1.00 0.00 H new ATOM 0 HB3 LEU A 46 12.337 -2.296 -8.578 1.00 0.00 H new ATOM 0 HG LEU A 46 12.293 -5.062 -7.359 1.00 0.00 H new ATOM 0 HD11 LEU A 46 10.704 -5.710 -9.124 1.00 0.00 H new ATOM 0 HD12 LEU A 46 9.999 -4.517 -8.007 1.00 0.00 H new ATOM 0 HD13 LEU A 46 10.562 -4.005 -9.616 1.00 0.00 H new ATOM 0 HD21 LEU A 46 13.128 -5.707 -9.587 1.00 0.00 H new ATOM 0 HD22 LEU A 46 13.079 -4.002 -10.093 1.00 0.00 H new ATOM 0 HD23 LEU A 46 14.192 -4.515 -8.803 1.00 0.00 H new ATOM 426 N ASP A 47 14.695 -0.850 -5.948 1.00 0.00 N ATOM 427 CA ASP A 47 15.300 0.466 -5.920 1.00 0.00 C ATOM 428 C ASP A 47 16.101 0.665 -4.635 1.00 0.00 C ATOM 429 O ASP A 47 17.083 1.406 -4.613 1.00 0.00 O ATOM 430 CB ASP A 47 14.238 1.556 -6.038 1.00 0.00 C ATOM 431 CG ASP A 47 14.109 2.093 -7.450 1.00 0.00 C ATOM 432 OD1 ASP A 47 15.103 2.643 -7.969 1.00 0.00 O ATOM 433 OD2 ASP A 47 13.014 1.962 -8.037 1.00 0.00 O ATOM 0 H ASP A 47 14.941 -1.431 -5.147 1.00 0.00 H new ATOM 0 HA ASP A 47 15.975 0.539 -6.773 1.00 0.00 H new ATOM 0 HB2 ASP A 47 13.276 1.158 -5.715 1.00 0.00 H new ATOM 0 HB3 ASP A 47 14.486 2.375 -5.363 1.00 0.00 H new ATOM 438 N SER A 48 15.676 0.000 -3.563 1.00 0.00 N ATOM 439 CA SER A 48 16.362 0.110 -2.280 1.00 0.00 C ATOM 440 C SER A 48 17.778 -0.415 -2.406 1.00 0.00 C ATOM 441 O SER A 48 18.727 0.170 -1.884 1.00 0.00 O ATOM 442 CB SER A 48 15.637 -0.678 -1.188 1.00 0.00 C ATOM 443 OG SER A 48 16.546 -1.186 -0.226 1.00 0.00 O ATOM 0 H SER A 48 14.864 -0.617 -3.558 1.00 0.00 H new ATOM 0 HA SER A 48 16.373 1.164 -2.001 1.00 0.00 H new ATOM 0 HB2 SER A 48 14.907 -0.035 -0.697 1.00 0.00 H new ATOM 0 HB3 SER A 48 15.084 -1.502 -1.638 1.00 0.00 H new ATOM 0 HG SER A 48 16.053 -1.683 0.459 1.00 0.00 H new ATOM 449 N LEU A 49 17.905 -1.523 -3.123 1.00 0.00 N ATOM 450 CA LEU A 49 19.205 -2.141 -3.350 1.00 0.00 C ATOM 451 C LEU A 49 19.901 -1.468 -4.529 1.00 0.00 C ATOM 452 O LEU A 49 20.863 -1.986 -5.095 1.00 0.00 O ATOM 453 CB LEU A 49 19.029 -3.644 -3.590 1.00 0.00 C ATOM 454 CG LEU A 49 18.934 -4.074 -5.058 1.00 0.00 C ATOM 455 CD1 LEU A 49 20.232 -4.726 -5.511 1.00 0.00 C ATOM 456 CD2 LEU A 49 17.759 -5.018 -5.264 1.00 0.00 C ATOM 0 H LEU A 49 17.123 -2.013 -3.558 1.00 0.00 H new ATOM 0 HA LEU A 49 19.832 -2.009 -2.469 1.00 0.00 H new ATOM 0 HB2 LEU A 49 19.867 -4.168 -3.130 1.00 0.00 H new ATOM 0 HB3 LEU A 49 18.126 -3.973 -3.075 1.00 0.00 H new ATOM 0 HG LEU A 49 18.769 -3.184 -5.666 1.00 0.00 H new ATOM 0 HD11 LEU A 49 20.144 -5.024 -6.556 1.00 0.00 H new ATOM 0 HD12 LEU A 49 21.052 -4.016 -5.404 1.00 0.00 H new ATOM 0 HD13 LEU A 49 20.431 -5.605 -4.898 1.00 0.00 H new ATOM 0 HD21 LEU A 49 17.708 -5.312 -6.312 1.00 0.00 H new ATOM 0 HD22 LEU A 49 17.892 -5.905 -4.644 1.00 0.00 H new ATOM 0 HD23 LEU A 49 16.834 -4.514 -4.983 1.00 0.00 H new ATOM 468 N TRP A 50 19.376 -0.309 -4.880 1.00 0.00 N ATOM 469 CA TRP A 50 19.874 0.495 -5.978 1.00 0.00 C ATOM 470 C TRP A 50 20.358 1.843 -5.455 1.00 0.00 C ATOM 471 O TRP A 50 21.018 2.606 -6.160 1.00 0.00 O ATOM 472 CB TRP A 50 18.744 0.714 -6.984 1.00 0.00 C ATOM 473 CG TRP A 50 17.983 -0.534 -7.318 1.00 0.00 C ATOM 474 CD1 TRP A 50 17.422 -1.411 -6.437 1.00 0.00 C ATOM 475 CD2 TRP A 50 17.681 -1.030 -8.623 1.00 0.00 C ATOM 476 NE1 TRP A 50 16.808 -2.436 -7.115 1.00 0.00 N ATOM 477 CE2 TRP A 50 16.953 -2.224 -8.461 1.00 0.00 C ATOM 478 CE3 TRP A 50 17.963 -0.583 -9.911 1.00 0.00 C ATOM 479 CZ2 TRP A 50 16.504 -2.974 -9.545 1.00 0.00 C ATOM 480 CZ3 TRP A 50 17.516 -1.325 -10.988 1.00 0.00 C ATOM 481 CH2 TRP A 50 16.795 -2.511 -10.799 1.00 0.00 C ATOM 0 H TRP A 50 18.577 0.107 -4.401 1.00 0.00 H new ATOM 0 HA TRP A 50 20.706 -0.019 -6.459 1.00 0.00 H new ATOM 0 HB2 TRP A 50 18.052 1.455 -6.584 1.00 0.00 H new ATOM 0 HB3 TRP A 50 19.161 1.131 -7.901 1.00 0.00 H new ATOM 0 HD1 TRP A 50 17.456 -1.314 -5.362 1.00 0.00 H new ATOM 0 HE1 TRP A 50 16.324 -3.225 -6.687 1.00 0.00 H new ATOM 0 HE3 TRP A 50 18.522 0.328 -10.066 1.00 0.00 H new ATOM 0 HZ2 TRP A 50 15.946 -3.888 -9.401 1.00 0.00 H new ATOM 0 HZ3 TRP A 50 17.726 -0.985 -11.991 1.00 0.00 H new ATOM 0 HH2 TRP A 50 16.462 -3.071 -11.660 1.00 0.00 H new ATOM 492 N GLU A 51 19.997 2.120 -4.210 1.00 0.00 N ATOM 493 CA GLU A 51 20.346 3.359 -3.544 1.00 0.00 C ATOM 494 C GLU A 51 21.819 3.377 -3.139 1.00 0.00 C ATOM 495 O GLU A 51 22.289 2.366 -2.576 1.00 0.00 O ATOM 496 CB GLU A 51 19.440 3.519 -2.321 1.00 0.00 C ATOM 497 CG GLU A 51 19.881 2.700 -1.120 1.00 0.00 C ATOM 498 CD GLU A 51 20.922 3.411 -0.277 1.00 0.00 C ATOM 499 OE1 GLU A 51 20.747 4.619 -0.013 1.00 0.00 O ATOM 500 OE2 GLU A 51 21.911 2.759 0.119 1.00 0.00 O ATOM 501 OXT GLU A 51 22.488 4.401 -3.388 1.00 0.00 O ATOM 0 H GLU A 51 19.449 1.483 -3.632 1.00 0.00 H new ATOM 0 HA GLU A 51 20.197 4.195 -4.228 1.00 0.00 H new ATOM 0 HB2 GLU A 51 19.408 4.571 -2.039 1.00 0.00 H new ATOM 0 HB3 GLU A 51 18.424 3.231 -2.593 1.00 0.00 H new ATOM 0 HG2 GLU A 51 19.013 2.473 -0.502 1.00 0.00 H new ATOM 0 HG3 GLU A 51 20.286 1.748 -1.463 1.00 0.00 H new TER 508 GLU A 51