USER MOD reduce.3.24.130724 H: found=0, std=0, add=285, rem=0, adj=6 USER MOD reduce.3.24.130724 removed 282 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 GLY N :NH3+ -121:sc= 0.0797 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 5 THR OG1 : rot 59:sc= 0.498 USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 9 GLN : amide:sc= -0.0725 K(o=-0.072,f=-1.1) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 TYR OH : rot 180:sc= -0.0463 USER MOD Single : A 17 ASN : amide:sc= 0 X(o=0,f=-0.021) USER MOD Single : A 19 THR OG1 : rot -38:sc= 1.09 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 HIS : no HD1:sc=-0.00585 X(o=-0.0059,f=0) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 ASN : amide:sc= 0 K(o=0,f=-0.57) USER MOD Single : A 42 ASN : amide:sc= -0.402 X(o=-0.4,f=-0.62) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 2.014 -1.577 -0.389 1.00 0.00 N ATOM 2 CA GLY A 1 1.126 -0.931 -1.339 1.00 0.00 C ATOM 3 C GLY A 1 1.135 0.579 -1.205 1.00 0.00 C ATOM 4 O GLY A 1 1.826 1.130 -0.348 1.00 0.00 O ATOM 0 H1 GLY A 1 2.724 -2.137 -0.903 1.00 0.00 H new ATOM 0 H2 GLY A 1 2.493 -0.854 0.185 1.00 0.00 H new ATOM 0 H3 GLY A 1 1.462 -2.203 0.232 1.00 0.00 H new ATOM 0 HA2 GLY A 1 1.421 -1.205 -2.352 1.00 0.00 H new ATOM 0 HA3 GLY A 1 0.111 -1.300 -1.192 1.00 0.00 H new ATOM 8 N SER A 2 0.365 1.251 -2.055 1.00 0.00 N ATOM 9 CA SER A 2 0.291 2.707 -2.032 1.00 0.00 C ATOM 10 C SER A 2 1.663 3.325 -2.283 1.00 0.00 C ATOM 11 O SER A 2 2.406 3.614 -1.346 1.00 0.00 O ATOM 12 CB SER A 2 -0.260 3.190 -0.689 1.00 0.00 C ATOM 13 OG SER A 2 -0.702 4.534 -0.772 1.00 0.00 O ATOM 0 H SER A 2 -0.216 0.810 -2.768 1.00 0.00 H new ATOM 0 HA SER A 2 -0.382 3.024 -2.828 1.00 0.00 H new ATOM 0 HB2 SER A 2 -1.087 2.550 -0.381 1.00 0.00 H new ATOM 0 HB3 SER A 2 0.512 3.104 0.076 1.00 0.00 H new ATOM 0 HG SER A 2 -1.051 4.818 0.099 1.00 0.00 H new ATOM 19 N MET A 3 1.992 3.525 -3.555 1.00 0.00 N ATOM 20 CA MET A 3 3.274 4.110 -3.931 1.00 0.00 C ATOM 21 C MET A 3 3.076 5.458 -4.616 1.00 0.00 C ATOM 22 O MET A 3 3.854 5.839 -5.492 1.00 0.00 O ATOM 23 CB MET A 3 4.040 3.162 -4.855 1.00 0.00 C ATOM 24 CG MET A 3 5.517 3.497 -4.981 1.00 0.00 C ATOM 25 SD MET A 3 6.571 2.037 -4.891 1.00 0.00 S ATOM 26 CE MET A 3 8.188 2.771 -5.125 1.00 0.00 C ATOM 0 H MET A 3 1.388 3.291 -4.343 1.00 0.00 H new ATOM 0 HA MET A 3 3.855 4.267 -3.022 1.00 0.00 H new ATOM 0 HB2 MET A 3 3.938 2.143 -4.482 1.00 0.00 H new ATOM 0 HB3 MET A 3 3.585 3.186 -5.845 1.00 0.00 H new ATOM 0 HG2 MET A 3 5.690 4.007 -5.928 1.00 0.00 H new ATOM 0 HG3 MET A 3 5.797 4.192 -4.189 1.00 0.00 H new ATOM 0 HE1 MET A 3 8.949 1.992 -5.094 1.00 0.00 H new ATOM 0 HE2 MET A 3 8.223 3.274 -6.091 1.00 0.00 H new ATOM 0 HE3 MET A 3 8.377 3.494 -4.332 1.00 0.00 H new ATOM 36 N ILE A 4 2.033 6.175 -4.212 1.00 0.00 N ATOM 37 CA ILE A 4 1.736 7.481 -4.787 1.00 0.00 C ATOM 38 C ILE A 4 1.755 8.569 -3.719 1.00 0.00 C ATOM 39 O ILE A 4 1.302 8.359 -2.593 1.00 0.00 O ATOM 40 CB ILE A 4 0.364 7.489 -5.487 1.00 0.00 C ATOM 41 CG1 ILE A 4 -0.707 6.902 -4.564 1.00 0.00 C ATOM 42 CG2 ILE A 4 0.430 6.710 -6.792 1.00 0.00 C ATOM 43 CD1 ILE A 4 -2.020 7.651 -4.610 1.00 0.00 C ATOM 0 H ILE A 4 1.380 5.874 -3.489 1.00 0.00 H new ATOM 0 HA ILE A 4 2.512 7.685 -5.524 1.00 0.00 H new ATOM 0 HB ILE A 4 0.095 8.520 -5.715 1.00 0.00 H new ATOM 0 HG12 ILE A 4 -0.882 5.862 -4.839 1.00 0.00 H new ATOM 0 HG13 ILE A 4 -0.333 6.903 -3.540 1.00 0.00 H new ATOM 0 HG21 ILE A 4 -0.547 6.725 -7.275 1.00 0.00 H new ATOM 0 HG22 ILE A 4 1.168 7.167 -7.452 1.00 0.00 H new ATOM 0 HG23 ILE A 4 0.717 5.679 -6.586 1.00 0.00 H new ATOM 0 HD11 ILE A 4 -2.732 7.180 -3.932 1.00 0.00 H new ATOM 0 HD12 ILE A 4 -1.860 8.685 -4.306 1.00 0.00 H new ATOM 0 HD13 ILE A 4 -2.417 7.628 -5.625 1.00 0.00 H new ATOM 55 N THR A 5 2.282 9.736 -4.080 1.00 0.00 N ATOM 56 CA THR A 5 2.360 10.858 -3.154 1.00 0.00 C ATOM 57 C THR A 5 2.133 12.182 -3.874 1.00 0.00 C ATOM 58 O THR A 5 3.060 12.962 -4.097 1.00 0.00 O ATOM 59 CB THR A 5 3.724 10.903 -2.439 1.00 0.00 C ATOM 60 OG1 THR A 5 4.780 10.972 -3.403 1.00 0.00 O ATOM 61 CG2 THR A 5 3.914 9.677 -1.559 1.00 0.00 C ATOM 0 H THR A 5 2.661 9.928 -5.007 1.00 0.00 H new ATOM 0 HA THR A 5 1.574 10.711 -2.413 1.00 0.00 H new ATOM 0 HB THR A 5 3.750 11.791 -1.808 1.00 0.00 H new ATOM 0 HG1 THR A 5 4.667 11.773 -3.956 1.00 0.00 H new ATOM 0 HG21 THR A 5 4.884 9.731 -1.064 1.00 0.00 H new ATOM 0 HG22 THR A 5 3.125 9.643 -0.808 1.00 0.00 H new ATOM 0 HG23 THR A 5 3.869 8.778 -2.173 1.00 0.00 H new ATOM 69 N PRO A 6 0.872 12.445 -4.248 1.00 0.00 N ATOM 70 CA PRO A 6 0.494 13.677 -4.948 1.00 0.00 C ATOM 71 C PRO A 6 0.589 14.906 -4.051 1.00 0.00 C ATOM 72 O PRO A 6 -0.265 15.127 -3.192 1.00 0.00 O ATOM 73 CB PRO A 6 -0.959 13.422 -5.354 1.00 0.00 C ATOM 74 CG PRO A 6 -1.461 12.427 -4.364 1.00 0.00 C ATOM 75 CD PRO A 6 -0.282 11.561 -4.015 1.00 0.00 C ATOM 0 HA PRO A 6 1.155 13.888 -5.789 1.00 0.00 H new ATOM 0 HB2 PRO A 6 -1.545 14.340 -5.324 1.00 0.00 H new ATOM 0 HB3 PRO A 6 -1.024 13.036 -6.371 1.00 0.00 H new ATOM 0 HG2 PRO A 6 -1.857 12.923 -3.478 1.00 0.00 H new ATOM 0 HG3 PRO A 6 -2.272 11.832 -4.785 1.00 0.00 H new ATOM 0 HD2 PRO A 6 -0.325 11.221 -2.980 1.00 0.00 H new ATOM 0 HD3 PRO A 6 -0.239 10.670 -4.641 1.00 0.00 H new ATOM 83 N SER A 7 1.632 15.703 -4.256 1.00 0.00 N ATOM 84 CA SER A 7 1.840 16.909 -3.462 1.00 0.00 C ATOM 85 C SER A 7 1.422 18.152 -4.243 1.00 0.00 C ATOM 86 O SER A 7 1.992 19.229 -4.070 1.00 0.00 O ATOM 87 CB SER A 7 3.308 17.025 -3.046 1.00 0.00 C ATOM 88 OG SER A 7 3.424 17.456 -1.701 1.00 0.00 O ATOM 0 H SER A 7 2.346 15.536 -4.965 1.00 0.00 H new ATOM 0 HA SER A 7 1.221 16.837 -2.568 1.00 0.00 H new ATOM 0 HB2 SER A 7 3.801 16.060 -3.166 1.00 0.00 H new ATOM 0 HB3 SER A 7 3.821 17.728 -3.702 1.00 0.00 H new ATOM 0 HG SER A 7 4.371 17.521 -1.459 1.00 0.00 H new ATOM 94 N CYS A 8 0.423 17.993 -5.104 1.00 0.00 N ATOM 95 CA CYS A 8 -0.073 19.100 -5.913 1.00 0.00 C ATOM 96 C CYS A 8 -1.598 19.086 -5.977 1.00 0.00 C ATOM 97 O CYS A 8 -2.233 18.079 -5.667 1.00 0.00 O ATOM 98 CB CYS A 8 0.508 19.026 -7.327 1.00 0.00 C ATOM 99 SG CYS A 8 0.785 20.651 -8.102 1.00 0.00 S ATOM 0 H CYS A 8 -0.059 17.108 -5.260 1.00 0.00 H new ATOM 0 HA CYS A 8 0.245 20.031 -5.444 1.00 0.00 H new ATOM 0 HB2 CYS A 8 1.454 18.486 -7.292 1.00 0.00 H new ATOM 0 HB3 CYS A 8 -0.167 18.446 -7.956 1.00 0.00 H new ATOM 104 N GLN A 9 -2.178 20.212 -6.382 1.00 0.00 N ATOM 105 CA GLN A 9 -3.627 20.329 -6.486 1.00 0.00 C ATOM 106 C GLN A 9 -4.029 20.943 -7.823 1.00 0.00 C ATOM 107 O GLN A 9 -3.176 21.283 -8.644 1.00 0.00 O ATOM 108 CB GLN A 9 -4.175 21.177 -5.337 1.00 0.00 C ATOM 109 CG GLN A 9 -3.938 20.568 -3.964 1.00 0.00 C ATOM 110 CD GLN A 9 -5.206 20.013 -3.346 1.00 0.00 C ATOM 111 OE1 GLN A 9 -6.169 19.702 -4.048 1.00 0.00 O ATOM 112 NE2 GLN A 9 -5.213 19.885 -2.024 1.00 0.00 N ATOM 0 H GLN A 9 -1.667 21.055 -6.643 1.00 0.00 H new ATOM 0 HA GLN A 9 -4.052 19.327 -6.424 1.00 0.00 H new ATOM 0 HB2 GLN A 9 -3.713 22.164 -5.372 1.00 0.00 H new ATOM 0 HB3 GLN A 9 -5.246 21.321 -5.481 1.00 0.00 H new ATOM 0 HG2 GLN A 9 -3.199 19.771 -4.047 1.00 0.00 H new ATOM 0 HG3 GLN A 9 -3.517 21.325 -3.302 1.00 0.00 H new ATOM 0 HE21 GLN A 9 -4.393 20.155 -1.481 1.00 0.00 H new ATOM 0 HE22 GLN A 9 -6.039 19.517 -1.552 1.00 0.00 H new ATOM 121 N LYS A 10 -5.333 21.083 -8.036 1.00 0.00 N ATOM 122 CA LYS A 10 -5.849 21.657 -9.273 1.00 0.00 C ATOM 123 C LYS A 10 -5.493 20.780 -10.470 1.00 0.00 C ATOM 124 O LYS A 10 -4.911 19.708 -10.314 1.00 0.00 O ATOM 125 CB LYS A 10 -5.292 23.067 -9.477 1.00 0.00 C ATOM 126 CG LYS A 10 -6.345 24.157 -9.384 1.00 0.00 C ATOM 127 CD LYS A 10 -6.561 24.840 -10.724 1.00 0.00 C ATOM 128 CE LYS A 10 -5.824 26.168 -10.798 1.00 0.00 C ATOM 129 NZ LYS A 10 -6.592 27.267 -10.149 1.00 0.00 N ATOM 0 H LYS A 10 -6.052 20.807 -7.368 1.00 0.00 H new ATOM 0 HA LYS A 10 -6.935 21.710 -9.194 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -4.520 23.255 -8.731 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -4.811 23.121 -10.454 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -7.285 23.727 -9.038 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -6.040 24.896 -8.643 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -6.217 24.187 -11.526 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -7.627 25.005 -10.882 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -4.851 26.071 -10.315 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -5.638 26.422 -11.841 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -6.055 28.155 -10.221 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -7.510 27.377 -10.625 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -6.748 27.037 -9.147 1.00 0.00 H new ATOM 143 N GLY A 11 -5.847 21.245 -11.664 1.00 0.00 N ATOM 144 CA GLY A 11 -5.555 20.491 -12.870 1.00 0.00 C ATOM 145 C GLY A 11 -4.069 20.269 -13.069 1.00 0.00 C ATOM 146 O GLY A 11 -3.662 19.408 -13.850 1.00 0.00 O ATOM 0 H GLY A 11 -6.331 22.130 -11.818 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -6.060 19.526 -12.823 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -5.959 21.021 -13.733 1.00 0.00 H new ATOM 150 N TYR A 12 -3.256 21.048 -12.364 1.00 0.00 N ATOM 151 CA TYR A 12 -1.806 20.936 -12.471 1.00 0.00 C ATOM 152 C TYR A 12 -1.326 19.581 -11.960 1.00 0.00 C ATOM 153 O TYR A 12 -2.037 18.893 -11.227 1.00 0.00 O ATOM 154 CB TYR A 12 -1.127 22.059 -11.685 1.00 0.00 C ATOM 155 CG TYR A 12 -1.170 23.399 -12.385 1.00 0.00 C ATOM 156 CD1 TYR A 12 -2.382 23.997 -12.708 1.00 0.00 C ATOM 157 CD2 TYR A 12 0.001 24.065 -12.724 1.00 0.00 C ATOM 158 CE1 TYR A 12 -2.426 25.221 -13.348 1.00 0.00 C ATOM 159 CE2 TYR A 12 -0.034 25.290 -13.363 1.00 0.00 C ATOM 160 CZ TYR A 12 -1.249 25.863 -13.673 1.00 0.00 C ATOM 161 OH TYR A 12 -1.288 27.082 -14.310 1.00 0.00 O ATOM 0 H TYR A 12 -3.577 21.764 -11.712 1.00 0.00 H new ATOM 0 HA TYR A 12 -1.537 21.024 -13.524 1.00 0.00 H new ATOM 0 HB2 TYR A 12 -1.608 22.152 -10.711 1.00 0.00 H new ATOM 0 HB3 TYR A 12 -0.087 21.787 -11.503 1.00 0.00 H new ATOM 0 HD1 TYR A 12 -3.305 23.497 -12.455 1.00 0.00 H new ATOM 0 HD2 TYR A 12 0.955 23.618 -12.484 1.00 0.00 H new ATOM 0 HE1 TYR A 12 -3.376 25.672 -13.592 1.00 0.00 H new ATOM 0 HE2 TYR A 12 0.886 25.796 -13.618 1.00 0.00 H new ATOM 0 HH TYR A 12 -0.374 27.399 -14.466 1.00 0.00 H new ATOM 171 N PHE A 13 -0.114 19.203 -12.353 1.00 0.00 N ATOM 172 CA PHE A 13 0.463 17.931 -11.937 1.00 0.00 C ATOM 173 C PHE A 13 1.954 18.078 -11.647 1.00 0.00 C ATOM 174 O PHE A 13 2.664 18.851 -12.291 1.00 0.00 O ATOM 175 CB PHE A 13 0.245 16.869 -13.017 1.00 0.00 C ATOM 176 CG PHE A 13 1.368 16.785 -14.010 1.00 0.00 C ATOM 177 CD1 PHE A 13 1.554 17.784 -14.952 1.00 0.00 C ATOM 178 CD2 PHE A 13 2.239 15.707 -14.001 1.00 0.00 C ATOM 179 CE1 PHE A 13 2.587 17.708 -15.867 1.00 0.00 C ATOM 180 CE2 PHE A 13 3.274 15.626 -14.914 1.00 0.00 C ATOM 181 CZ PHE A 13 3.448 16.628 -15.848 1.00 0.00 C ATOM 0 H PHE A 13 0.488 19.760 -12.959 1.00 0.00 H new ATOM 0 HA PHE A 13 -0.038 17.617 -11.022 1.00 0.00 H new ATOM 0 HB2 PHE A 13 0.119 15.897 -12.540 1.00 0.00 H new ATOM 0 HB3 PHE A 13 -0.682 17.086 -13.547 1.00 0.00 H new ATOM 0 HD1 PHE A 13 0.884 18.631 -14.971 1.00 0.00 H new ATOM 0 HD2 PHE A 13 2.108 14.921 -13.272 1.00 0.00 H new ATOM 0 HE1 PHE A 13 2.721 18.493 -16.597 1.00 0.00 H new ATOM 0 HE2 PHE A 13 3.945 14.780 -14.897 1.00 0.00 H new ATOM 0 HZ PHE A 13 4.256 16.567 -16.562 1.00 0.00 H new ATOM 191 N PRO A 14 2.441 17.320 -10.654 1.00 0.00 N ATOM 192 CA PRO A 14 3.851 17.348 -10.255 1.00 0.00 C ATOM 193 C PRO A 14 4.764 16.728 -11.308 1.00 0.00 C ATOM 194 O PRO A 14 4.433 15.702 -11.904 1.00 0.00 O ATOM 195 CB PRO A 14 3.874 16.515 -8.971 1.00 0.00 C ATOM 196 CG PRO A 14 2.700 15.605 -9.089 1.00 0.00 C ATOM 197 CD PRO A 14 1.653 16.376 -9.844 1.00 0.00 C ATOM 0 HA PRO A 14 4.217 18.366 -10.125 1.00 0.00 H new ATOM 0 HB2 PRO A 14 4.803 15.953 -8.880 1.00 0.00 H new ATOM 0 HB3 PRO A 14 3.797 17.148 -8.087 1.00 0.00 H new ATOM 0 HG2 PRO A 14 2.967 14.690 -9.617 1.00 0.00 H new ATOM 0 HG3 PRO A 14 2.334 15.310 -8.105 1.00 0.00 H new ATOM 0 HD2 PRO A 14 1.045 15.722 -10.468 1.00 0.00 H new ATOM 0 HD3 PRO A 14 0.973 16.896 -9.170 1.00 0.00 H new ATOM 205 N CYS A 15 5.913 17.356 -11.532 1.00 0.00 N ATOM 206 CA CYS A 15 6.874 16.866 -12.512 1.00 0.00 C ATOM 207 C CYS A 15 7.307 15.440 -12.185 1.00 0.00 C ATOM 208 O CYS A 15 6.831 14.841 -11.221 1.00 0.00 O ATOM 209 CB CYS A 15 8.098 17.784 -12.561 1.00 0.00 C ATOM 210 SG CYS A 15 8.125 18.911 -13.992 1.00 0.00 S ATOM 0 H CYS A 15 6.201 18.206 -11.048 1.00 0.00 H new ATOM 0 HA CYS A 15 6.390 16.865 -13.488 1.00 0.00 H new ATOM 0 HB2 CYS A 15 8.132 18.375 -11.646 1.00 0.00 H new ATOM 0 HB3 CYS A 15 8.999 17.170 -12.578 1.00 0.00 H new ATOM 215 N GLY A 16 8.214 14.902 -12.995 1.00 0.00 N ATOM 216 CA GLY A 16 8.696 13.551 -12.775 1.00 0.00 C ATOM 217 C GLY A 16 9.170 13.329 -11.352 1.00 0.00 C ATOM 218 O GLY A 16 8.507 12.649 -10.569 1.00 0.00 O ATOM 0 H GLY A 16 8.623 15.378 -13.799 1.00 0.00 H new ATOM 0 HA2 GLY A 16 7.900 12.843 -13.004 1.00 0.00 H new ATOM 0 HA3 GLY A 16 9.515 13.344 -13.464 1.00 0.00 H new ATOM 222 N ASN A 17 10.321 13.901 -11.017 1.00 0.00 N ATOM 223 CA ASN A 17 10.884 13.760 -9.679 1.00 0.00 C ATOM 224 C ASN A 17 11.197 15.126 -9.074 1.00 0.00 C ATOM 225 O ASN A 17 11.838 15.221 -8.026 1.00 0.00 O ATOM 226 CB ASN A 17 12.154 12.908 -9.725 1.00 0.00 C ATOM 227 CG ASN A 17 12.066 11.692 -8.823 1.00 0.00 C ATOM 228 OD1 ASN A 17 11.768 11.807 -7.634 1.00 0.00 O ATOM 229 ND2 ASN A 17 12.328 10.518 -9.386 1.00 0.00 N ATOM 0 H ASN A 17 10.883 14.467 -11.653 1.00 0.00 H new ATOM 0 HA ASN A 17 10.144 13.264 -9.051 1.00 0.00 H new ATOM 0 HB2 ASN A 17 12.335 12.585 -10.750 1.00 0.00 H new ATOM 0 HB3 ASN A 17 13.008 13.517 -9.428 1.00 0.00 H new ATOM 0 HD21 ASN A 17 12.286 9.665 -8.829 1.00 0.00 H new ATOM 0 HD22 ASN A 17 12.571 10.470 -10.375 1.00 0.00 H new ATOM 236 N LEU A 18 10.739 16.180 -9.739 1.00 0.00 N ATOM 237 CA LEU A 18 10.968 17.541 -9.267 1.00 0.00 C ATOM 238 C LEU A 18 9.806 18.021 -8.403 1.00 0.00 C ATOM 239 O LEU A 18 8.825 17.303 -8.207 1.00 0.00 O ATOM 240 CB LEU A 18 11.162 18.488 -10.453 1.00 0.00 C ATOM 241 CG LEU A 18 12.597 18.652 -10.953 1.00 0.00 C ATOM 242 CD1 LEU A 18 12.638 19.567 -12.167 1.00 0.00 C ATOM 243 CD2 LEU A 18 13.490 19.192 -9.846 1.00 0.00 C ATOM 0 H LEU A 18 10.207 16.119 -10.607 1.00 0.00 H new ATOM 0 HA LEU A 18 11.873 17.540 -8.659 1.00 0.00 H new ATOM 0 HB2 LEU A 18 10.549 18.132 -11.281 1.00 0.00 H new ATOM 0 HB3 LEU A 18 10.781 19.470 -10.174 1.00 0.00 H new ATOM 0 HG LEU A 18 12.972 17.672 -11.249 1.00 0.00 H new ATOM 0 HD11 LEU A 18 13.668 19.672 -12.509 1.00 0.00 H new ATOM 0 HD12 LEU A 18 12.032 19.139 -12.966 1.00 0.00 H new ATOM 0 HD13 LEU A 18 12.244 20.547 -11.898 1.00 0.00 H new ATOM 0 HD21 LEU A 18 14.508 19.302 -10.221 1.00 0.00 H new ATOM 0 HD22 LEU A 18 13.117 20.162 -9.518 1.00 0.00 H new ATOM 0 HD23 LEU A 18 13.486 18.499 -9.005 1.00 0.00 H new ATOM 255 N THR A 19 9.922 19.242 -7.890 1.00 0.00 N ATOM 256 CA THR A 19 8.881 19.819 -7.048 1.00 0.00 C ATOM 257 C THR A 19 8.101 20.894 -7.797 1.00 0.00 C ATOM 258 O THR A 19 7.468 21.755 -7.186 1.00 0.00 O ATOM 259 CB THR A 19 9.472 20.430 -5.764 1.00 0.00 C ATOM 260 OG1 THR A 19 8.418 20.898 -4.914 1.00 0.00 O ATOM 261 CG2 THR A 19 10.412 21.579 -6.094 1.00 0.00 C ATOM 0 H THR A 19 10.726 19.850 -8.043 1.00 0.00 H new ATOM 0 HA THR A 19 8.206 19.007 -6.778 1.00 0.00 H new ATOM 0 HB THR A 19 10.039 19.655 -5.247 1.00 0.00 H new ATOM 0 HG1 THR A 19 7.711 21.299 -5.461 1.00 0.00 H new ATOM 0 HG21 THR A 19 10.817 21.994 -5.171 1.00 0.00 H new ATOM 0 HG22 THR A 19 11.229 21.214 -6.716 1.00 0.00 H new ATOM 0 HG23 THR A 19 9.865 22.354 -6.631 1.00 0.00 H new ATOM 269 N LYS A 20 8.150 20.838 -9.123 1.00 0.00 N ATOM 270 CA LYS A 20 7.447 21.806 -9.957 1.00 0.00 C ATOM 271 C LYS A 20 6.165 21.205 -10.525 1.00 0.00 C ATOM 272 O LYS A 20 6.097 20.006 -10.796 1.00 0.00 O ATOM 273 CB LYS A 20 8.351 22.279 -11.098 1.00 0.00 C ATOM 274 CG LYS A 20 7.619 23.080 -12.161 1.00 0.00 C ATOM 275 CD LYS A 20 8.551 23.496 -13.286 1.00 0.00 C ATOM 276 CE LYS A 20 7.835 24.358 -14.314 1.00 0.00 C ATOM 277 NZ LYS A 20 8.639 25.553 -14.693 1.00 0.00 N ATOM 0 H LYS A 20 8.670 20.132 -9.644 1.00 0.00 H new ATOM 0 HA LYS A 20 7.182 22.660 -9.334 1.00 0.00 H new ATOM 0 HB2 LYS A 20 9.155 22.888 -10.685 1.00 0.00 H new ATOM 0 HB3 LYS A 20 8.817 21.411 -11.565 1.00 0.00 H new ATOM 0 HG2 LYS A 20 6.800 22.485 -12.567 1.00 0.00 H new ATOM 0 HG3 LYS A 20 7.175 23.967 -11.708 1.00 0.00 H new ATOM 0 HD2 LYS A 20 9.397 24.046 -12.874 1.00 0.00 H new ATOM 0 HD3 LYS A 20 8.955 22.608 -13.772 1.00 0.00 H new ATOM 0 HE2 LYS A 20 7.626 23.764 -15.204 1.00 0.00 H new ATOM 0 HE3 LYS A 20 6.874 24.679 -13.912 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 8.116 26.114 -15.395 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 8.817 26.134 -13.849 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 9.546 25.247 -15.100 1.00 0.00 H new ATOM 291 N CYS A 21 5.152 22.046 -10.703 1.00 0.00 N ATOM 292 CA CYS A 21 3.872 21.598 -11.240 1.00 0.00 C ATOM 293 C CYS A 21 3.537 22.336 -12.533 1.00 0.00 C ATOM 294 O CYS A 21 3.654 23.559 -12.611 1.00 0.00 O ATOM 295 CB CYS A 21 2.760 21.817 -10.212 1.00 0.00 C ATOM 296 SG CYS A 21 2.493 20.404 -9.094 1.00 0.00 S ATOM 0 H CYS A 21 5.192 23.041 -10.483 1.00 0.00 H new ATOM 0 HA CYS A 21 3.950 20.533 -11.460 1.00 0.00 H new ATOM 0 HB2 CYS A 21 2.999 22.698 -9.616 1.00 0.00 H new ATOM 0 HB3 CYS A 21 1.830 22.031 -10.739 1.00 0.00 H new ATOM 301 N LEU A 22 3.119 21.583 -13.545 1.00 0.00 N ATOM 302 CA LEU A 22 2.766 22.165 -14.836 1.00 0.00 C ATOM 303 C LEU A 22 1.255 22.328 -14.964 1.00 0.00 C ATOM 304 O LEU A 22 0.473 21.634 -14.314 1.00 0.00 O ATOM 305 CB LEU A 22 3.294 21.289 -15.973 1.00 0.00 C ATOM 306 CG LEU A 22 4.805 21.330 -16.206 1.00 0.00 C ATOM 307 CD1 LEU A 22 5.376 19.921 -16.257 1.00 0.00 C ATOM 308 CD2 LEU A 22 5.127 22.085 -17.487 1.00 0.00 C ATOM 0 H LEU A 22 3.016 20.569 -13.497 1.00 0.00 H new ATOM 0 HA LEU A 22 3.226 23.151 -14.901 1.00 0.00 H new ATOM 0 HB2 LEU A 22 3.005 20.257 -15.774 1.00 0.00 H new ATOM 0 HB3 LEU A 22 2.796 21.587 -16.896 1.00 0.00 H new ATOM 0 HG LEU A 22 5.268 21.857 -15.372 1.00 0.00 H new ATOM 0 HD11 LEU A 22 6.452 19.970 -16.423 1.00 0.00 H new ATOM 0 HD12 LEU A 22 5.178 19.414 -15.313 1.00 0.00 H new ATOM 0 HD13 LEU A 22 4.908 19.368 -17.071 1.00 0.00 H new ATOM 0 HD21 LEU A 22 6.207 22.104 -17.637 1.00 0.00 H new ATOM 0 HD22 LEU A 22 4.652 21.587 -18.332 1.00 0.00 H new ATOM 0 HD23 LEU A 22 4.753 23.106 -17.411 1.00 0.00 H new ATOM 320 N PRO A 23 0.832 23.266 -15.825 1.00 0.00 N ATOM 321 CA PRO A 23 -0.589 23.541 -16.061 1.00 0.00 C ATOM 322 C PRO A 23 -1.282 22.405 -16.806 1.00 0.00 C ATOM 323 O PRO A 23 -0.645 21.429 -17.202 1.00 0.00 O ATOM 324 CB PRO A 23 -0.567 24.808 -16.919 1.00 0.00 C ATOM 325 CG PRO A 23 0.758 24.782 -17.600 1.00 0.00 C ATOM 326 CD PRO A 23 1.708 24.130 -16.633 1.00 0.00 C ATOM 0 HA PRO A 23 -1.144 23.651 -15.129 1.00 0.00 H new ATOM 0 HB2 PRO A 23 -1.383 24.811 -17.641 1.00 0.00 H new ATOM 0 HB3 PRO A 23 -0.680 25.703 -16.307 1.00 0.00 H new ATOM 0 HG2 PRO A 23 0.706 24.222 -18.534 1.00 0.00 H new ATOM 0 HG3 PRO A 23 1.088 25.790 -17.851 1.00 0.00 H new ATOM 0 HD2 PRO A 23 2.475 23.553 -17.150 1.00 0.00 H new ATOM 0 HD3 PRO A 23 2.224 24.867 -16.018 1.00 0.00 H new ATOM 334 N ARG A 24 -2.591 22.539 -16.993 1.00 0.00 N ATOM 335 CA ARG A 24 -3.371 21.523 -17.690 1.00 0.00 C ATOM 336 C ARG A 24 -3.115 21.577 -19.193 1.00 0.00 C ATOM 337 O ARG A 24 -3.301 20.588 -19.900 1.00 0.00 O ATOM 338 CB ARG A 24 -4.863 21.714 -17.409 1.00 0.00 C ATOM 339 CG ARG A 24 -5.423 23.018 -17.953 1.00 0.00 C ATOM 340 CD ARG A 24 -6.074 22.820 -19.313 1.00 0.00 C ATOM 341 NE ARG A 24 -7.524 22.992 -19.256 1.00 0.00 N ATOM 342 CZ ARG A 24 -8.309 22.967 -20.327 1.00 0.00 C ATOM 343 NH1 ARG A 24 -7.788 22.778 -21.532 1.00 0.00 N ATOM 344 NH2 ARG A 24 -9.619 23.130 -20.195 1.00 0.00 N ATOM 0 H ARG A 24 -3.134 23.341 -16.672 1.00 0.00 H new ATOM 0 HA ARG A 24 -3.060 20.546 -17.321 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -5.416 20.881 -17.844 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -5.029 21.678 -16.332 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -6.155 23.421 -17.253 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -4.622 23.753 -18.035 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -5.652 23.531 -20.024 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -5.842 21.822 -19.684 1.00 0.00 H new ATOM 0 HE ARG A 24 -7.957 23.139 -18.344 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -6.782 22.651 -21.638 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -8.394 22.759 -22.352 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -10.024 23.275 -19.270 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -10.221 23.111 -21.018 1.00 0.00 H new ATOM 358 N ALA A 25 -2.687 22.740 -19.674 1.00 0.00 N ATOM 359 CA ALA A 25 -2.403 22.923 -21.092 1.00 0.00 C ATOM 360 C ALA A 25 -1.175 22.123 -21.514 1.00 0.00 C ATOM 361 O ALA A 25 -0.921 21.939 -22.704 1.00 0.00 O ATOM 362 CB ALA A 25 -2.208 24.398 -21.405 1.00 0.00 C ATOM 0 H ALA A 25 -2.529 23.570 -19.102 1.00 0.00 H new ATOM 0 HA ALA A 25 -3.257 22.553 -21.659 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -1.997 24.520 -22.467 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -3.115 24.947 -21.150 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -1.373 24.786 -20.822 1.00 0.00 H new ATOM 368 N PHE A 26 -0.416 21.650 -20.531 1.00 0.00 N ATOM 369 CA PHE A 26 0.787 20.871 -20.800 1.00 0.00 C ATOM 370 C PHE A 26 0.478 19.697 -21.724 1.00 0.00 C ATOM 371 O PHE A 26 1.353 19.211 -22.442 1.00 0.00 O ATOM 372 CB PHE A 26 1.393 20.360 -19.492 1.00 0.00 C ATOM 373 CG PHE A 26 0.805 19.059 -19.027 1.00 0.00 C ATOM 374 CD1 PHE A 26 -0.538 18.969 -18.696 1.00 0.00 C ATOM 375 CD2 PHE A 26 1.594 17.925 -18.920 1.00 0.00 C ATOM 376 CE1 PHE A 26 -1.082 17.772 -18.268 1.00 0.00 C ATOM 377 CE2 PHE A 26 1.055 16.726 -18.494 1.00 0.00 C ATOM 378 CZ PHE A 26 -0.284 16.650 -18.166 1.00 0.00 C ATOM 0 H PHE A 26 -0.613 21.793 -19.540 1.00 0.00 H new ATOM 0 HA PHE A 26 1.508 21.521 -21.296 1.00 0.00 H new ATOM 0 HB2 PHE A 26 2.468 20.238 -19.623 1.00 0.00 H new ATOM 0 HB3 PHE A 26 1.250 21.112 -18.716 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -1.167 19.844 -18.773 1.00 0.00 H new ATOM 0 HD2 PHE A 26 2.643 17.979 -19.173 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -2.130 17.715 -18.014 1.00 0.00 H new ATOM 0 HE2 PHE A 26 1.681 15.849 -18.418 1.00 0.00 H new ATOM 0 HZ PHE A 26 -0.706 15.714 -17.830 1.00 0.00 H new ATOM 388 N HIS A 27 -0.772 19.245 -21.700 1.00 0.00 N ATOM 389 CA HIS A 27 -1.196 18.127 -22.536 1.00 0.00 C ATOM 390 C HIS A 27 -0.921 18.414 -24.009 1.00 0.00 C ATOM 391 O HIS A 27 -1.681 19.125 -24.666 1.00 0.00 O ATOM 392 CB HIS A 27 -2.685 17.846 -22.329 1.00 0.00 C ATOM 393 CG HIS A 27 -3.260 16.894 -23.333 1.00 0.00 C ATOM 394 ND1 HIS A 27 -4.434 17.137 -24.013 1.00 0.00 N ATOM 395 CD2 HIS A 27 -2.814 15.694 -23.771 1.00 0.00 C ATOM 396 CE1 HIS A 27 -4.686 16.126 -24.826 1.00 0.00 C ATOM 397 NE2 HIS A 27 -3.718 15.237 -24.698 1.00 0.00 N ATOM 0 H HIS A 27 -1.508 19.635 -21.112 1.00 0.00 H new ATOM 0 HA HIS A 27 -0.622 17.248 -22.243 1.00 0.00 H new ATOM 0 HB2 HIS A 27 -2.834 17.440 -21.329 1.00 0.00 H new ATOM 0 HB3 HIS A 27 -3.234 18.787 -22.376 1.00 0.00 H new ATOM 0 HD2 HIS A 27 -1.914 15.189 -23.451 1.00 0.00 H new ATOM 0 HE1 HIS A 27 -5.539 16.041 -25.483 1.00 0.00 H new ATOM 0 HE2 HIS A 27 -3.652 14.354 -25.205 1.00 0.00 H new ATOM 405 N CYS A 28 0.172 17.857 -24.520 1.00 0.00 N ATOM 406 CA CYS A 28 0.550 18.053 -25.915 1.00 0.00 C ATOM 407 C CYS A 28 0.575 19.538 -26.267 1.00 0.00 C ATOM 408 O CYS A 28 -0.426 20.097 -26.714 1.00 0.00 O ATOM 409 CB CYS A 28 -0.422 17.315 -26.837 1.00 0.00 C ATOM 410 SG CYS A 28 -0.017 15.557 -27.090 1.00 0.00 S ATOM 0 H CYS A 28 0.812 17.266 -23.989 1.00 0.00 H new ATOM 0 HA CYS A 28 1.552 17.647 -26.055 1.00 0.00 H new ATOM 0 HB2 CYS A 28 -1.427 17.389 -26.422 1.00 0.00 H new ATOM 0 HB3 CYS A 28 -0.439 17.816 -27.805 1.00 0.00 H new ATOM 415 N ASP A 29 1.726 20.169 -26.064 1.00 0.00 N ATOM 416 CA ASP A 29 1.883 21.588 -26.362 1.00 0.00 C ATOM 417 C ASP A 29 2.816 21.793 -27.551 1.00 0.00 C ATOM 418 O ASP A 29 2.682 22.762 -28.298 1.00 0.00 O ATOM 419 CB ASP A 29 2.424 22.330 -25.139 1.00 0.00 C ATOM 420 CG ASP A 29 3.371 21.479 -24.316 1.00 0.00 C ATOM 421 OD1 ASP A 29 4.333 20.932 -24.895 1.00 0.00 O ATOM 422 OD2 ASP A 29 3.149 21.359 -23.093 1.00 0.00 O ATOM 0 H ASP A 29 2.564 19.720 -25.694 1.00 0.00 H new ATOM 0 HA ASP A 29 0.903 21.992 -26.618 1.00 0.00 H new ATOM 0 HB2 ASP A 29 2.941 23.232 -25.465 1.00 0.00 H new ATOM 0 HB3 ASP A 29 1.590 22.649 -24.513 1.00 0.00 H new ATOM 427 N GLY A 30 3.763 20.876 -27.719 1.00 0.00 N ATOM 428 CA GLY A 30 4.706 20.975 -28.819 1.00 0.00 C ATOM 429 C GLY A 30 6.085 20.469 -28.447 1.00 0.00 C ATOM 430 O GLY A 30 6.711 19.731 -29.210 1.00 0.00 O ATOM 0 H GLY A 30 3.895 20.066 -27.113 1.00 0.00 H new ATOM 0 HA2 GLY A 30 4.330 20.405 -29.668 1.00 0.00 H new ATOM 0 HA3 GLY A 30 4.778 22.014 -29.140 1.00 0.00 H new ATOM 434 N LYS A 31 6.563 20.867 -27.273 1.00 0.00 N ATOM 435 CA LYS A 31 7.878 20.450 -26.801 1.00 0.00 C ATOM 436 C LYS A 31 7.853 20.164 -25.303 1.00 0.00 C ATOM 437 O LYS A 31 6.787 20.105 -24.690 1.00 0.00 O ATOM 438 CB LYS A 31 8.919 21.529 -27.108 1.00 0.00 C ATOM 439 CG LYS A 31 8.816 22.090 -28.516 1.00 0.00 C ATOM 440 CD LYS A 31 10.187 22.403 -29.093 1.00 0.00 C ATOM 441 CE LYS A 31 10.601 21.374 -30.133 1.00 0.00 C ATOM 442 NZ LYS A 31 11.549 21.944 -31.130 1.00 0.00 N ATOM 0 H LYS A 31 6.059 21.478 -26.631 1.00 0.00 H new ATOM 0 HA LYS A 31 8.150 19.533 -27.324 1.00 0.00 H new ATOM 0 HB2 LYS A 31 8.808 22.344 -26.392 1.00 0.00 H new ATOM 0 HB3 LYS A 31 9.916 21.112 -26.964 1.00 0.00 H new ATOM 0 HG2 LYS A 31 8.305 21.373 -29.158 1.00 0.00 H new ATOM 0 HG3 LYS A 31 8.210 22.996 -28.504 1.00 0.00 H new ATOM 0 HD2 LYS A 31 10.175 23.395 -29.545 1.00 0.00 H new ATOM 0 HD3 LYS A 31 10.924 22.428 -28.290 1.00 0.00 H new ATOM 0 HE2 LYS A 31 11.065 20.522 -29.636 1.00 0.00 H new ATOM 0 HE3 LYS A 31 9.715 21.000 -30.646 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 11.807 21.212 -31.822 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 11.097 22.741 -31.622 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 12.405 22.278 -30.643 1.00 0.00 H new ATOM 456 N ASP A 32 9.033 19.989 -24.719 1.00 0.00 N ATOM 457 CA ASP A 32 9.147 19.713 -23.291 1.00 0.00 C ATOM 458 C ASP A 32 8.837 20.960 -22.470 1.00 0.00 C ATOM 459 O ASP A 32 9.300 22.056 -22.788 1.00 0.00 O ATOM 460 CB ASP A 32 10.550 19.203 -22.958 1.00 0.00 C ATOM 461 CG ASP A 32 11.130 18.342 -24.063 1.00 0.00 C ATOM 462 OD1 ASP A 32 10.361 17.583 -24.689 1.00 0.00 O ATOM 463 OD2 ASP A 32 12.353 18.426 -24.301 1.00 0.00 O ATOM 0 H ASP A 32 9.925 20.033 -25.212 1.00 0.00 H new ATOM 0 HA ASP A 32 8.419 18.942 -23.036 1.00 0.00 H new ATOM 0 HB2 ASP A 32 11.209 20.052 -22.779 1.00 0.00 H new ATOM 0 HB3 ASP A 32 10.514 18.627 -22.033 1.00 0.00 H new ATOM 468 N ASP A 33 8.052 20.787 -21.413 1.00 0.00 N ATOM 469 CA ASP A 33 7.680 21.899 -20.545 1.00 0.00 C ATOM 470 C ASP A 33 8.225 21.693 -19.135 1.00 0.00 C ATOM 471 O ASP A 33 8.448 22.654 -18.398 1.00 0.00 O ATOM 472 CB ASP A 33 6.159 22.052 -20.500 1.00 0.00 C ATOM 473 CG ASP A 33 5.565 22.336 -21.866 1.00 0.00 C ATOM 474 OD1 ASP A 33 5.723 21.488 -22.769 1.00 0.00 O ATOM 475 OD2 ASP A 33 4.943 23.406 -22.032 1.00 0.00 O ATOM 0 H ASP A 33 7.660 19.887 -21.136 1.00 0.00 H new ATOM 0 HA ASP A 33 8.117 22.810 -20.955 1.00 0.00 H new ATOM 0 HB2 ASP A 33 5.717 21.141 -20.097 1.00 0.00 H new ATOM 0 HB3 ASP A 33 5.898 22.861 -19.818 1.00 0.00 H new ATOM 480 N CYS A 34 8.436 20.435 -18.766 1.00 0.00 N ATOM 481 CA CYS A 34 8.953 20.102 -17.444 1.00 0.00 C ATOM 482 C CYS A 34 10.472 20.248 -17.401 1.00 0.00 C ATOM 483 O CYS A 34 11.035 20.695 -16.403 1.00 0.00 O ATOM 484 CB CYS A 34 8.556 18.674 -17.062 1.00 0.00 C ATOM 485 SG CYS A 34 9.210 18.125 -15.453 1.00 0.00 S ATOM 0 H CYS A 34 8.257 19.628 -19.364 1.00 0.00 H new ATOM 0 HA CYS A 34 8.518 20.797 -16.726 1.00 0.00 H new ATOM 0 HB2 CYS A 34 7.468 18.604 -17.043 1.00 0.00 H new ATOM 0 HB3 CYS A 34 8.906 17.992 -17.836 1.00 0.00 H new ATOM 490 N GLY A 35 11.128 19.867 -18.493 1.00 0.00 N ATOM 491 CA GLY A 35 12.575 19.964 -18.560 1.00 0.00 C ATOM 492 C GLY A 35 13.264 18.740 -17.989 1.00 0.00 C ATOM 493 O GLY A 35 14.479 18.588 -18.116 1.00 0.00 O ATOM 0 H GLY A 35 10.684 19.493 -19.332 1.00 0.00 H new ATOM 0 HA2 GLY A 35 12.880 20.098 -19.598 1.00 0.00 H new ATOM 0 HA3 GLY A 35 12.903 20.849 -18.015 1.00 0.00 H new ATOM 497 N ASN A 36 12.488 17.866 -17.358 1.00 0.00 N ATOM 498 CA ASN A 36 13.032 16.650 -16.764 1.00 0.00 C ATOM 499 C ASN A 36 12.764 15.441 -17.656 1.00 0.00 C ATOM 500 O ASN A 36 13.512 14.465 -17.637 1.00 0.00 O ATOM 501 CB ASN A 36 12.426 16.419 -15.378 1.00 0.00 C ATOM 502 CG ASN A 36 13.066 15.250 -14.655 1.00 0.00 C ATOM 503 OD1 ASN A 36 14.264 15.002 -14.790 1.00 0.00 O ATOM 504 ND2 ASN A 36 12.267 14.524 -13.881 1.00 0.00 N ATOM 0 H ASN A 36 11.480 17.977 -17.244 1.00 0.00 H new ATOM 0 HA ASN A 36 14.110 16.775 -16.666 1.00 0.00 H new ATOM 0 HB2 ASN A 36 12.543 17.322 -14.778 1.00 0.00 H new ATOM 0 HB3 ASN A 36 11.356 16.239 -15.478 1.00 0.00 H new ATOM 0 HD21 ASN A 36 12.641 13.725 -13.369 1.00 0.00 H new ATOM 0 HD22 ASN A 36 11.280 14.766 -13.798 1.00 0.00 H new ATOM 511 N GLY A 37 11.691 15.515 -18.437 1.00 0.00 N ATOM 512 CA GLY A 37 11.343 14.422 -19.325 1.00 0.00 C ATOM 513 C GLY A 37 10.223 13.561 -18.775 1.00 0.00 C ATOM 514 O GLY A 37 10.175 12.358 -19.027 1.00 0.00 O ATOM 0 H GLY A 37 11.056 16.313 -18.470 1.00 0.00 H new ATOM 0 HA2 GLY A 37 11.045 14.825 -20.293 1.00 0.00 H new ATOM 0 HA3 GLY A 37 12.223 13.802 -19.495 1.00 0.00 H new ATOM 518 N ALA A 38 9.321 14.179 -18.019 1.00 0.00 N ATOM 519 CA ALA A 38 8.197 13.461 -17.432 1.00 0.00 C ATOM 520 C ALA A 38 6.874 13.931 -18.028 1.00 0.00 C ATOM 521 O ALA A 38 5.998 13.122 -18.333 1.00 0.00 O ATOM 522 CB ALA A 38 8.189 13.638 -15.921 1.00 0.00 C ATOM 0 H ALA A 38 9.347 15.175 -17.799 1.00 0.00 H new ATOM 0 HA ALA A 38 8.314 12.402 -17.662 1.00 0.00 H new ATOM 0 HB1 ALA A 38 7.344 13.096 -15.496 1.00 0.00 H new ATOM 0 HB2 ALA A 38 9.117 13.248 -15.504 1.00 0.00 H new ATOM 0 HB3 ALA A 38 8.100 14.697 -15.679 1.00 0.00 H new ATOM 528 N ASP A 39 6.736 15.243 -18.189 1.00 0.00 N ATOM 529 CA ASP A 39 5.519 15.820 -18.748 1.00 0.00 C ATOM 530 C ASP A 39 5.328 15.385 -20.198 1.00 0.00 C ATOM 531 O ASP A 39 4.211 15.388 -20.714 1.00 0.00 O ATOM 532 CB ASP A 39 5.568 17.347 -18.663 1.00 0.00 C ATOM 533 CG ASP A 39 6.556 17.950 -19.643 1.00 0.00 C ATOM 534 OD1 ASP A 39 7.708 17.470 -19.695 1.00 0.00 O ATOM 535 OD2 ASP A 39 6.177 18.901 -20.357 1.00 0.00 O ATOM 0 H ASP A 39 7.451 15.926 -17.940 1.00 0.00 H new ATOM 0 HA ASP A 39 4.673 15.458 -18.164 1.00 0.00 H new ATOM 0 HB2 ASP A 39 4.575 17.751 -18.858 1.00 0.00 H new ATOM 0 HB3 ASP A 39 5.839 17.643 -17.650 1.00 0.00 H new ATOM 540 N GLU A 40 6.426 15.013 -20.849 1.00 0.00 N ATOM 541 CA GLU A 40 6.379 14.578 -22.240 1.00 0.00 C ATOM 542 C GLU A 40 5.431 13.393 -22.406 1.00 0.00 C ATOM 543 O GLU A 40 4.838 13.205 -23.468 1.00 0.00 O ATOM 544 CB GLU A 40 7.778 14.198 -22.727 1.00 0.00 C ATOM 545 CG GLU A 40 8.628 15.391 -23.128 1.00 0.00 C ATOM 546 CD GLU A 40 7.948 16.271 -24.159 1.00 0.00 C ATOM 547 OE1 GLU A 40 7.169 17.160 -23.760 1.00 0.00 O ATOM 548 OE2 GLU A 40 8.197 16.070 -25.366 1.00 0.00 O ATOM 0 H GLU A 40 7.358 15.004 -20.435 1.00 0.00 H new ATOM 0 HA GLU A 40 6.007 15.407 -22.841 1.00 0.00 H new ATOM 0 HB2 GLU A 40 8.290 13.646 -21.939 1.00 0.00 H new ATOM 0 HB3 GLU A 40 7.686 13.525 -23.580 1.00 0.00 H new ATOM 0 HG2 GLU A 40 8.856 15.984 -22.242 1.00 0.00 H new ATOM 0 HG3 GLU A 40 9.578 15.037 -23.528 1.00 0.00 H new ATOM 555 N GLU A 41 5.295 12.598 -21.350 1.00 0.00 N ATOM 556 CA GLU A 41 4.421 11.432 -21.380 1.00 0.00 C ATOM 557 C GLU A 41 2.966 11.847 -21.582 1.00 0.00 C ATOM 558 O GLU A 41 2.662 13.029 -21.731 1.00 0.00 O ATOM 559 CB GLU A 41 4.558 10.630 -20.084 1.00 0.00 C ATOM 560 CG GLU A 41 5.973 10.146 -19.815 1.00 0.00 C ATOM 561 CD GLU A 41 6.284 8.836 -20.512 1.00 0.00 C ATOM 562 OE1 GLU A 41 5.806 8.641 -21.649 1.00 0.00 O ATOM 563 OE2 GLU A 41 7.006 8.006 -19.921 1.00 0.00 O ATOM 0 H GLU A 41 5.779 12.740 -20.463 1.00 0.00 H new ATOM 0 HA GLU A 41 4.723 10.806 -22.220 1.00 0.00 H new ATOM 0 HB2 GLU A 41 4.229 11.247 -19.248 1.00 0.00 H new ATOM 0 HB3 GLU A 41 3.891 9.769 -20.127 1.00 0.00 H new ATOM 0 HG2 GLU A 41 6.682 10.906 -20.145 1.00 0.00 H new ATOM 0 HG3 GLU A 41 6.113 10.024 -18.741 1.00 0.00 H new ATOM 570 N ASN A 42 2.072 10.863 -21.588 1.00 0.00 N ATOM 571 CA ASN A 42 0.649 11.126 -21.773 1.00 0.00 C ATOM 572 C ASN A 42 0.381 11.725 -23.150 1.00 0.00 C ATOM 573 O ASN A 42 -0.647 12.365 -23.372 1.00 0.00 O ATOM 574 CB ASN A 42 0.137 12.071 -20.684 1.00 0.00 C ATOM 575 CG ASN A 42 0.804 11.826 -19.345 1.00 0.00 C ATOM 576 OD1 ASN A 42 0.998 10.681 -18.936 1.00 0.00 O ATOM 577 ND2 ASN A 42 1.159 12.903 -18.654 1.00 0.00 N ATOM 0 H ASN A 42 2.307 9.878 -21.467 1.00 0.00 H new ATOM 0 HA ASN A 42 0.117 10.177 -21.700 1.00 0.00 H new ATOM 0 HB2 ASN A 42 0.312 13.102 -20.990 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -0.941 11.948 -20.578 1.00 0.00 H new ATOM 0 HD21 ASN A 42 1.612 12.800 -17.746 1.00 0.00 H new ATOM 0 HD22 ASN A 42 0.979 13.833 -19.031 1.00 0.00 H new ATOM 584 N CYS A 43 1.313 11.513 -24.073 1.00 0.00 N ATOM 585 CA CYS A 43 1.179 12.031 -25.429 1.00 0.00 C ATOM 586 C CYS A 43 1.970 11.179 -26.418 1.00 0.00 C ATOM 587 O CYS A 43 2.317 11.634 -27.507 1.00 0.00 O ATOM 588 CB CYS A 43 1.659 13.482 -25.493 1.00 0.00 C ATOM 589 SG CYS A 43 0.328 14.713 -25.315 1.00 0.00 S ATOM 0 H CYS A 43 2.170 10.986 -23.906 1.00 0.00 H new ATOM 0 HA CYS A 43 0.125 11.991 -25.703 1.00 0.00 H new ATOM 0 HB2 CYS A 43 2.397 13.644 -24.708 1.00 0.00 H new ATOM 0 HB3 CYS A 43 2.165 13.645 -26.445 1.00 0.00 H new ATOM 594 N GLY A 44 2.252 9.939 -26.029 1.00 0.00 N ATOM 595 CA GLY A 44 2.999 9.043 -26.891 1.00 0.00 C ATOM 596 C GLY A 44 2.111 8.312 -27.878 1.00 0.00 C ATOM 597 O GLY A 44 2.620 7.778 -28.862 1.00 0.00 O ATOM 0 H GLY A 44 1.976 9.540 -25.132 1.00 0.00 H new ATOM 0 HA2 GLY A 44 3.751 9.612 -27.437 1.00 0.00 H new ATOM 0 HA3 GLY A 44 3.532 8.315 -26.279 1.00 0.00 H new TER 601 GLY A 44 HETATM 602 CA CA A 101 4.666 18.660 -22.953 1.00 0.00 CA