USER MOD reduce.3.24.130724 H: found=0, std=0, add=410, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 410 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 ASP N :NH3+ -117:sc= 0.0116 (180deg=-0.0113) USER MOD Single : A 8 TYR OH : rot 180:sc= 0.0988 USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 LYS NZ :NH3+ -144:sc= -0.0381 (180deg=-1.2) USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 ASN : amide:sc= -2.46 K(o=-2.5,f=-5.7!) USER MOD Single : A 24 LYS NZ :NH3+ -164:sc= -0.0277 (180deg=-0.24) USER MOD Single : A 29 GLN : amide:sc= -0.271 K(o=-0.27,f=-1.2) USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 TYR OH : rot 180:sc= -0.255 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 ASN : amide:sc= -5.43! C(o=-5.4!,f=-6.6!) USER MOD Single : A 42 ASN : amide:sc= -6.25! C(o=-6.2!,f=-5.8!) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 50 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 52 THR OG1 : rot 168:sc= 1.69 USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 1 -7.451 15.753 4.628 1.00 0.00 N ATOM 2 CA ASP A 1 -7.778 14.566 3.791 1.00 0.00 C ATOM 3 C ASP A 1 -6.522 13.970 3.167 1.00 0.00 C ATOM 4 O ASP A 1 -5.595 14.701 2.804 1.00 0.00 O ATOM 5 CB ASP A 1 -8.763 14.986 2.693 1.00 0.00 C ATOM 6 CG ASP A 1 -10.122 15.392 3.240 1.00 0.00 C ATOM 7 OD1 ASP A 1 -10.786 14.544 3.874 1.00 0.00 O ATOM 8 OD2 ASP A 1 -10.520 16.557 3.034 1.00 0.00 O ATOM 0 H1 ASP A 1 -7.706 15.561 5.618 1.00 0.00 H new ATOM 0 H2 ASP A 1 -6.432 15.952 4.565 1.00 0.00 H new ATOM 0 H3 ASP A 1 -7.986 16.577 4.286 1.00 0.00 H new ATOM 0 HA ASP A 1 -8.229 13.802 4.424 1.00 0.00 H new ATOM 0 HB2 ASP A 1 -8.340 15.819 2.131 1.00 0.00 H new ATOM 0 HB3 ASP A 1 -8.891 14.161 1.992 1.00 0.00 H new ATOM 15 N PHE A 2 -6.503 12.638 3.048 1.00 0.00 N ATOM 16 CA PHE A 2 -5.365 11.918 2.468 1.00 0.00 C ATOM 17 C PHE A 2 -5.812 10.908 1.398 1.00 0.00 C ATOM 18 O PHE A 2 -5.009 10.495 0.557 1.00 0.00 O ATOM 19 CB PHE A 2 -4.530 11.217 3.572 1.00 0.00 C ATOM 20 CG PHE A 2 -5.228 10.143 4.403 1.00 0.00 C ATOM 21 CD1 PHE A 2 -6.615 10.098 4.550 1.00 0.00 C ATOM 22 CD2 PHE A 2 -4.469 9.179 5.053 1.00 0.00 C ATOM 23 CE1 PHE A 2 -7.218 9.119 5.314 1.00 0.00 C ATOM 24 CE2 PHE A 2 -5.072 8.198 5.820 1.00 0.00 C ATOM 25 CZ PHE A 2 -6.447 8.168 5.951 1.00 0.00 C ATOM 0 H PHE A 2 -7.268 12.034 3.348 1.00 0.00 H new ATOM 0 HA PHE A 2 -4.732 12.657 1.976 1.00 0.00 H new ATOM 0 HB2 PHE A 2 -3.659 10.764 3.099 1.00 0.00 H new ATOM 0 HB3 PHE A 2 -4.161 11.984 4.253 1.00 0.00 H new ATOM 0 HD1 PHE A 2 -7.226 10.841 4.058 1.00 0.00 H new ATOM 0 HD2 PHE A 2 -3.393 9.195 4.959 1.00 0.00 H new ATOM 0 HE1 PHE A 2 -8.293 9.097 5.413 1.00 0.00 H new ATOM 0 HE2 PHE A 2 -4.467 7.454 6.317 1.00 0.00 H new ATOM 0 HZ PHE A 2 -6.917 7.402 6.550 1.00 0.00 H new ATOM 35 N CYS A 3 -7.100 10.523 1.438 1.00 0.00 N ATOM 36 CA CYS A 3 -7.677 9.566 0.480 1.00 0.00 C ATOM 37 C CYS A 3 -7.827 10.171 -0.923 1.00 0.00 C ATOM 38 O CYS A 3 -7.529 9.511 -1.923 1.00 0.00 O ATOM 39 CB CYS A 3 -9.046 9.087 0.969 1.00 0.00 C ATOM 40 SG CYS A 3 -8.999 7.760 2.227 1.00 0.00 S ATOM 0 H CYS A 3 -7.766 10.865 2.131 1.00 0.00 H new ATOM 0 HA CYS A 3 -6.987 8.725 0.415 1.00 0.00 H new ATOM 0 HB2 CYS A 3 -9.586 9.939 1.382 1.00 0.00 H new ATOM 0 HB3 CYS A 3 -9.618 8.733 0.111 1.00 0.00 H new ATOM 45 N LEU A 4 -8.296 11.425 -0.978 1.00 0.00 N ATOM 46 CA LEU A 4 -8.504 12.142 -2.247 1.00 0.00 C ATOM 47 C LEU A 4 -7.194 12.717 -2.810 1.00 0.00 C ATOM 48 O LEU A 4 -7.166 13.213 -3.942 1.00 0.00 O ATOM 49 CB LEU A 4 -9.532 13.273 -2.062 1.00 0.00 C ATOM 50 CG LEU A 4 -10.977 12.834 -1.770 1.00 0.00 C ATOM 51 CD1 LEU A 4 -11.167 12.473 -0.300 1.00 0.00 C ATOM 52 CD2 LEU A 4 -11.952 13.929 -2.177 1.00 0.00 C ATOM 0 H LEU A 4 -8.541 11.969 -0.151 1.00 0.00 H new ATOM 0 HA LEU A 4 -8.884 11.416 -2.966 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -9.196 13.912 -1.245 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -9.535 13.885 -2.964 1.00 0.00 H new ATOM 0 HG LEU A 4 -11.180 11.940 -2.359 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -12.200 12.168 -0.131 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -10.499 11.653 -0.037 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -10.939 13.340 0.320 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -12.971 13.606 -1.965 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -11.735 14.837 -1.614 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -11.849 14.130 -3.243 1.00 0.00 H new ATOM 64 N GLU A 5 -6.115 12.637 -2.017 1.00 0.00 N ATOM 65 CA GLU A 5 -4.799 13.140 -2.429 1.00 0.00 C ATOM 66 C GLU A 5 -3.964 12.025 -3.082 1.00 0.00 C ATOM 67 O GLU A 5 -4.178 10.846 -2.784 1.00 0.00 O ATOM 68 CB GLU A 5 -4.041 13.720 -1.228 1.00 0.00 C ATOM 69 CG GLU A 5 -4.650 15.004 -0.669 1.00 0.00 C ATOM 70 CD GLU A 5 -3.876 15.593 0.508 1.00 0.00 C ATOM 71 OE1 GLU A 5 -2.846 15.009 0.915 1.00 0.00 O ATOM 72 OE2 GLU A 5 -4.308 16.645 1.025 1.00 0.00 O ATOM 0 H GLU A 5 -6.130 12.227 -1.083 1.00 0.00 H new ATOM 0 HA GLU A 5 -4.960 13.931 -3.162 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -4.008 12.971 -0.436 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -3.010 13.918 -1.523 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -4.702 15.747 -1.465 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -5.674 14.802 -0.354 1.00 0.00 H new ATOM 79 N PRO A 6 -2.999 12.372 -3.994 1.00 0.00 N ATOM 80 CA PRO A 6 -2.151 11.371 -4.682 1.00 0.00 C ATOM 81 C PRO A 6 -1.233 10.585 -3.721 1.00 0.00 C ATOM 82 O PRO A 6 -0.679 11.171 -2.787 1.00 0.00 O ATOM 83 CB PRO A 6 -1.311 12.208 -5.657 1.00 0.00 C ATOM 84 CG PRO A 6 -1.339 13.596 -5.114 1.00 0.00 C ATOM 85 CD PRO A 6 -2.668 13.750 -4.434 1.00 0.00 C ATOM 0 HA PRO A 6 -2.761 10.608 -5.166 1.00 0.00 H new ATOM 0 HB2 PRO A 6 -0.290 11.831 -5.719 1.00 0.00 H new ATOM 0 HB3 PRO A 6 -1.726 12.172 -6.664 1.00 0.00 H new ATOM 0 HG2 PRO A 6 -0.521 13.756 -4.412 1.00 0.00 H new ATOM 0 HG3 PRO A 6 -1.222 14.329 -5.912 1.00 0.00 H new ATOM 0 HD2 PRO A 6 -2.609 14.437 -3.590 1.00 0.00 H new ATOM 0 HD3 PRO A 6 -3.422 14.145 -5.114 1.00 0.00 H new ATOM 93 N PRO A 7 -1.065 9.241 -3.931 1.00 0.00 N ATOM 94 CA PRO A 7 -0.217 8.377 -3.074 1.00 0.00 C ATOM 95 C PRO A 7 1.253 8.817 -2.995 1.00 0.00 C ATOM 96 O PRO A 7 1.860 9.162 -4.013 1.00 0.00 O ATOM 97 CB PRO A 7 -0.340 7.005 -3.759 1.00 0.00 C ATOM 98 CG PRO A 7 -0.717 7.314 -5.154 1.00 0.00 C ATOM 99 CD PRO A 7 -1.688 8.429 -5.004 1.00 0.00 C ATOM 0 HA PRO A 7 -0.543 8.402 -2.034 1.00 0.00 H new ATOM 0 HB2 PRO A 7 0.600 6.455 -3.716 1.00 0.00 H new ATOM 0 HB3 PRO A 7 -1.094 6.386 -3.273 1.00 0.00 H new ATOM 0 HG2 PRO A 7 0.147 7.610 -5.749 1.00 0.00 H new ATOM 0 HG3 PRO A 7 -1.166 6.453 -5.650 1.00 0.00 H new ATOM 0 HD2 PRO A 7 -1.804 8.995 -5.928 1.00 0.00 H new ATOM 0 HD3 PRO A 7 -2.678 8.072 -4.722 1.00 0.00 H new ATOM 107 N TYR A 8 1.805 8.790 -1.775 1.00 0.00 N ATOM 108 CA TYR A 8 3.198 9.174 -1.537 1.00 0.00 C ATOM 109 C TYR A 8 4.084 7.922 -1.434 1.00 0.00 C ATOM 110 O TYR A 8 4.296 7.376 -0.342 1.00 0.00 O ATOM 111 CB TYR A 8 3.298 10.049 -0.261 1.00 0.00 C ATOM 112 CG TYR A 8 4.680 10.631 0.021 1.00 0.00 C ATOM 113 CD1 TYR A 8 5.336 11.433 -0.912 1.00 0.00 C ATOM 114 CD2 TYR A 8 5.320 10.381 1.230 1.00 0.00 C ATOM 115 CE1 TYR A 8 6.585 11.962 -0.648 1.00 0.00 C ATOM 116 CE2 TYR A 8 6.568 10.910 1.500 1.00 0.00 C ATOM 117 CZ TYR A 8 7.195 11.697 0.559 1.00 0.00 C ATOM 118 OH TYR A 8 8.436 12.226 0.828 1.00 0.00 O ATOM 0 H TYR A 8 1.303 8.504 -0.935 1.00 0.00 H new ATOM 0 HA TYR A 8 3.557 9.767 -2.378 1.00 0.00 H new ATOM 0 HB2 TYR A 8 2.586 10.870 -0.346 1.00 0.00 H new ATOM 0 HB3 TYR A 8 2.992 9.449 0.596 1.00 0.00 H new ATOM 0 HD1 TYR A 8 4.860 11.645 -1.858 1.00 0.00 H new ATOM 0 HD2 TYR A 8 4.834 9.763 1.970 1.00 0.00 H new ATOM 0 HE1 TYR A 8 7.080 12.579 -1.383 1.00 0.00 H new ATOM 0 HE2 TYR A 8 7.050 10.707 2.445 1.00 0.00 H new ATOM 0 HH TYR A 8 8.725 11.945 1.721 1.00 0.00 H new ATOM 128 N THR A 9 4.595 7.479 -2.588 1.00 0.00 N ATOM 129 CA THR A 9 5.461 6.301 -2.656 1.00 0.00 C ATOM 130 C THR A 9 6.942 6.721 -2.652 1.00 0.00 C ATOM 131 O THR A 9 7.683 6.375 -1.728 1.00 0.00 O ATOM 132 CB THR A 9 5.118 5.456 -3.904 1.00 0.00 C ATOM 133 OG1 THR A 9 3.721 5.233 -3.984 1.00 0.00 O ATOM 134 CG2 THR A 9 5.787 4.091 -3.933 1.00 0.00 C ATOM 0 H THR A 9 4.422 7.922 -3.490 1.00 0.00 H new ATOM 0 HA THR A 9 5.288 5.684 -1.774 1.00 0.00 H new ATOM 0 HB THR A 9 5.490 6.041 -4.745 1.00 0.00 H new ATOM 0 HG1 THR A 9 3.520 4.698 -4.780 1.00 0.00 H new ATOM 0 HG21 THR A 9 5.495 3.562 -4.840 1.00 0.00 H new ATOM 0 HG22 THR A 9 6.870 4.216 -3.919 1.00 0.00 H new ATOM 0 HG23 THR A 9 5.477 3.515 -3.061 1.00 0.00 H new ATOM 142 N GLY A 10 7.357 7.456 -3.699 1.00 0.00 N ATOM 143 CA GLY A 10 8.742 7.903 -3.818 1.00 0.00 C ATOM 144 C GLY A 10 9.644 6.841 -4.456 1.00 0.00 C ATOM 145 O GLY A 10 9.140 5.795 -4.877 1.00 0.00 O ATOM 0 H GLY A 10 6.752 7.748 -4.467 1.00 0.00 H new ATOM 0 HA2 GLY A 10 8.777 8.813 -4.416 1.00 0.00 H new ATOM 0 HA3 GLY A 10 9.126 8.156 -2.830 1.00 0.00 H new ATOM 149 N PRO A 11 10.993 7.065 -4.543 1.00 0.00 N ATOM 150 CA PRO A 11 11.933 6.091 -5.137 1.00 0.00 C ATOM 151 C PRO A 11 12.252 4.907 -4.200 1.00 0.00 C ATOM 152 O PRO A 11 13.241 4.191 -4.402 1.00 0.00 O ATOM 153 CB PRO A 11 13.203 6.926 -5.404 1.00 0.00 C ATOM 154 CG PRO A 11 12.854 8.339 -5.058 1.00 0.00 C ATOM 155 CD PRO A 11 11.716 8.264 -4.086 1.00 0.00 C ATOM 0 HA PRO A 11 11.512 5.629 -6.030 1.00 0.00 H new ATOM 0 HB2 PRO A 11 14.037 6.571 -4.798 1.00 0.00 H new ATOM 0 HB3 PRO A 11 13.510 6.845 -6.447 1.00 0.00 H new ATOM 0 HG2 PRO A 11 13.708 8.854 -4.618 1.00 0.00 H new ATOM 0 HG3 PRO A 11 12.569 8.899 -5.949 1.00 0.00 H new ATOM 0 HD2 PRO A 11 12.065 8.162 -3.058 1.00 0.00 H new ATOM 0 HD3 PRO A 11 11.090 9.155 -4.123 1.00 0.00 H new ATOM 163 N CYS A 12 11.399 4.710 -3.185 1.00 0.00 N ATOM 164 CA CYS A 12 11.565 3.626 -2.217 1.00 0.00 C ATOM 165 C CYS A 12 10.380 2.664 -2.240 1.00 0.00 C ATOM 166 O CYS A 12 9.220 3.086 -2.221 1.00 0.00 O ATOM 167 CB CYS A 12 11.781 4.201 -0.813 1.00 0.00 C ATOM 168 SG CYS A 12 13.309 3.629 -0.014 1.00 0.00 S ATOM 0 H CYS A 12 10.581 5.295 -3.016 1.00 0.00 H new ATOM 0 HA CYS A 12 12.448 3.053 -2.499 1.00 0.00 H new ATOM 0 HB2 CYS A 12 11.800 5.289 -0.875 1.00 0.00 H new ATOM 0 HB3 CYS A 12 10.931 3.932 -0.186 1.00 0.00 H new ATOM 173 N LYS A 13 10.701 1.364 -2.283 1.00 0.00 N ATOM 174 CA LYS A 13 9.710 0.289 -2.312 1.00 0.00 C ATOM 175 C LYS A 13 10.175 -0.850 -1.403 1.00 0.00 C ATOM 176 O LYS A 13 10.836 -1.801 -1.842 1.00 0.00 O ATOM 177 CB LYS A 13 9.478 -0.230 -3.750 1.00 0.00 C ATOM 178 CG LYS A 13 8.838 0.776 -4.705 1.00 0.00 C ATOM 179 CD LYS A 13 9.877 1.653 -5.392 1.00 0.00 C ATOM 180 CE LYS A 13 9.226 2.651 -6.336 1.00 0.00 C ATOM 181 NZ LYS A 13 10.234 3.514 -7.013 1.00 0.00 N ATOM 0 H LYS A 13 11.665 1.030 -2.299 1.00 0.00 H new ATOM 0 HA LYS A 13 8.760 0.683 -1.951 1.00 0.00 H new ATOM 0 HB2 LYS A 13 10.436 -0.544 -4.166 1.00 0.00 H new ATOM 0 HB3 LYS A 13 8.845 -1.116 -3.702 1.00 0.00 H new ATOM 0 HG2 LYS A 13 8.259 0.242 -5.459 1.00 0.00 H new ATOM 0 HG3 LYS A 13 8.140 1.406 -4.153 1.00 0.00 H new ATOM 0 HD2 LYS A 13 10.458 2.187 -4.640 1.00 0.00 H new ATOM 0 HD3 LYS A 13 10.574 1.026 -5.948 1.00 0.00 H new ATOM 0 HE2 LYS A 13 8.644 2.115 -7.086 1.00 0.00 H new ATOM 0 HE3 LYS A 13 8.528 3.276 -5.779 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 9.849 4.473 -7.127 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 11.099 3.554 -6.438 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 10.458 3.118 -7.948 1.00 0.00 H new ATOM 195 N ALA A 14 9.835 -0.721 -0.120 1.00 0.00 N ATOM 196 CA ALA A 14 10.209 -1.703 0.905 1.00 0.00 C ATOM 197 C ALA A 14 9.281 -2.937 0.906 1.00 0.00 C ATOM 198 O ALA A 14 8.740 -3.330 1.944 1.00 0.00 O ATOM 199 CB ALA A 14 10.236 -1.031 2.275 1.00 0.00 C ATOM 0 H ALA A 14 9.294 0.065 0.240 1.00 0.00 H new ATOM 0 HA ALA A 14 11.207 -2.072 0.667 1.00 0.00 H new ATOM 0 HB1 ALA A 14 10.514 -1.763 3.034 1.00 0.00 H new ATOM 0 HB2 ALA A 14 10.965 -0.220 2.268 1.00 0.00 H new ATOM 0 HB3 ALA A 14 9.249 -0.629 2.503 1.00 0.00 H new ATOM 205 N ARG A 15 9.135 -3.555 -0.288 1.00 0.00 N ATOM 206 CA ARG A 15 8.308 -4.778 -0.522 1.00 0.00 C ATOM 207 C ARG A 15 6.938 -4.776 0.197 1.00 0.00 C ATOM 208 O ARG A 15 6.454 -5.822 0.650 1.00 0.00 O ATOM 209 CB ARG A 15 9.110 -6.071 -0.191 1.00 0.00 C ATOM 210 CG ARG A 15 9.652 -6.164 1.241 1.00 0.00 C ATOM 211 CD ARG A 15 9.238 -7.460 1.924 1.00 0.00 C ATOM 212 NE ARG A 15 7.823 -7.453 2.317 1.00 0.00 N ATOM 213 CZ ARG A 15 7.188 -8.478 2.903 1.00 0.00 C ATOM 214 NH1 ARG A 15 7.822 -9.618 3.173 1.00 0.00 N ATOM 215 NH2 ARG A 15 5.906 -8.358 3.221 1.00 0.00 N ATOM 0 H ARG A 15 9.593 -3.218 -1.135 1.00 0.00 H new ATOM 0 HA ARG A 15 8.075 -4.764 -1.587 1.00 0.00 H new ATOM 0 HB2 ARG A 15 8.468 -6.933 -0.374 1.00 0.00 H new ATOM 0 HB3 ARG A 15 9.948 -6.145 -0.884 1.00 0.00 H new ATOM 0 HG2 ARG A 15 10.740 -6.095 1.222 1.00 0.00 H new ATOM 0 HG3 ARG A 15 9.289 -5.316 1.822 1.00 0.00 H new ATOM 0 HD2 ARG A 15 9.422 -8.298 1.252 1.00 0.00 H new ATOM 0 HD3 ARG A 15 9.858 -7.617 2.807 1.00 0.00 H new ATOM 0 HE ARG A 15 7.284 -6.607 2.131 1.00 0.00 H new ATOM 0 HH11 ARG A 15 8.808 -9.722 2.933 1.00 0.00 H new ATOM 0 HH12 ARG A 15 7.322 -10.387 3.619 1.00 0.00 H new ATOM 0 HH21 ARG A 15 5.410 -7.490 3.019 1.00 0.00 H new ATOM 0 HH22 ARG A 15 5.416 -9.134 3.667 1.00 0.00 H new ATOM 229 N ILE A 16 6.318 -3.602 0.279 1.00 0.00 N ATOM 230 CA ILE A 16 5.005 -3.458 0.924 1.00 0.00 C ATOM 231 C ILE A 16 4.103 -2.559 0.073 1.00 0.00 C ATOM 232 O ILE A 16 4.444 -1.410 -0.189 1.00 0.00 O ATOM 233 CB ILE A 16 5.122 -2.880 2.376 1.00 0.00 C ATOM 234 CG1 ILE A 16 6.042 -3.762 3.250 1.00 0.00 C ATOM 235 CG2 ILE A 16 3.736 -2.760 3.031 1.00 0.00 C ATOM 236 CD1 ILE A 16 6.620 -3.055 4.466 1.00 0.00 C ATOM 0 H ILE A 16 6.700 -2.732 -0.092 1.00 0.00 H new ATOM 0 HA ILE A 16 4.566 -4.452 1.003 1.00 0.00 H new ATOM 0 HB ILE A 16 5.562 -1.885 2.301 1.00 0.00 H new ATOM 0 HG12 ILE A 16 5.479 -4.633 3.585 1.00 0.00 H new ATOM 0 HG13 ILE A 16 6.863 -4.131 2.635 1.00 0.00 H new ATOM 0 HG21 ILE A 16 3.843 -2.357 4.038 1.00 0.00 H new ATOM 0 HG22 ILE A 16 3.110 -2.094 2.438 1.00 0.00 H new ATOM 0 HG23 ILE A 16 3.271 -3.745 3.082 1.00 0.00 H new ATOM 0 HD11 ILE A 16 7.253 -3.747 5.022 1.00 0.00 H new ATOM 0 HD12 ILE A 16 7.214 -2.200 4.142 1.00 0.00 H new ATOM 0 HD13 ILE A 16 5.808 -2.711 5.107 1.00 0.00 H new ATOM 248 N ILE A 17 2.954 -3.105 -0.340 1.00 0.00 N ATOM 249 CA ILE A 17 1.971 -2.379 -1.159 1.00 0.00 C ATOM 250 C ILE A 17 0.636 -2.355 -0.419 1.00 0.00 C ATOM 251 O ILE A 17 -0.080 -3.357 -0.321 1.00 0.00 O ATOM 252 CB ILE A 17 1.799 -3.026 -2.578 1.00 0.00 C ATOM 253 CG1 ILE A 17 3.152 -3.209 -3.295 1.00 0.00 C ATOM 254 CG2 ILE A 17 0.873 -2.194 -3.466 1.00 0.00 C ATOM 255 CD1 ILE A 17 3.873 -4.498 -2.948 1.00 0.00 C ATOM 0 H ILE A 17 2.677 -4.061 -0.117 1.00 0.00 H new ATOM 0 HA ILE A 17 2.332 -1.362 -1.316 1.00 0.00 H new ATOM 0 HB ILE A 17 1.353 -4.007 -2.413 1.00 0.00 H new ATOM 0 HG12 ILE A 17 2.986 -3.178 -4.372 1.00 0.00 H new ATOM 0 HG13 ILE A 17 3.798 -2.367 -3.047 1.00 0.00 H new ATOM 0 HG21 ILE A 17 0.777 -2.672 -4.441 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -0.109 -2.121 -3.000 1.00 0.00 H new ATOM 0 HG23 ILE A 17 1.290 -1.195 -3.592 1.00 0.00 H new ATOM 0 HD11 ILE A 17 4.815 -4.547 -3.495 1.00 0.00 H new ATOM 0 HD12 ILE A 17 4.074 -4.526 -1.877 1.00 0.00 H new ATOM 0 HD13 ILE A 17 3.249 -5.349 -3.222 1.00 0.00 H new ATOM 267 N ARG A 18 0.346 -1.173 0.094 1.00 0.00 N ATOM 268 CA ARG A 18 -0.856 -0.865 0.849 1.00 0.00 C ATOM 269 C ARG A 18 -2.047 -0.578 -0.091 1.00 0.00 C ATOM 270 O ARG A 18 -2.018 -1.000 -1.242 1.00 0.00 O ATOM 271 CB ARG A 18 -0.503 0.335 1.710 1.00 0.00 C ATOM 272 CG ARG A 18 -0.063 -0.028 3.122 1.00 0.00 C ATOM 273 CD ARG A 18 0.278 1.207 3.949 1.00 0.00 C ATOM 274 NE ARG A 18 -0.904 2.028 4.248 1.00 0.00 N ATOM 275 CZ ARG A 18 -0.884 3.165 4.959 1.00 0.00 C ATOM 276 NH1 ARG A 18 0.253 3.645 5.460 1.00 0.00 N ATOM 277 NH2 ARG A 18 -2.014 3.827 5.168 1.00 0.00 N ATOM 0 H ARG A 18 0.966 -0.369 -0.008 1.00 0.00 H new ATOM 0 HA ARG A 18 -1.174 -1.705 1.467 1.00 0.00 H new ATOM 0 HB2 ARG A 18 0.295 0.896 1.224 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -1.368 0.996 1.768 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -0.857 -0.588 3.617 1.00 0.00 H new ATOM 0 HG3 ARG A 18 0.807 -0.683 3.074 1.00 0.00 H new ATOM 0 HD2 ARG A 18 0.747 0.897 4.883 1.00 0.00 H new ATOM 0 HD3 ARG A 18 1.009 1.810 3.411 1.00 0.00 H new ATOM 0 HE ARG A 18 -1.804 1.710 3.889 1.00 0.00 H new ATOM 0 HH11 ARG A 18 1.129 3.146 5.305 1.00 0.00 H new ATOM 0 HH12 ARG A 18 0.248 4.511 5.998 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -2.891 3.471 4.789 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -2.006 4.692 5.708 1.00 0.00 H new ATOM 291 N TYR A 19 -3.094 0.107 0.409 1.00 0.00 N ATOM 292 CA TYR A 19 -4.291 0.413 -0.397 1.00 0.00 C ATOM 293 C TYR A 19 -4.700 1.884 -0.348 1.00 0.00 C ATOM 294 O TYR A 19 -5.100 2.399 0.710 1.00 0.00 O ATOM 295 CB TYR A 19 -5.488 -0.426 0.062 1.00 0.00 C ATOM 296 CG TYR A 19 -5.406 -1.889 -0.302 1.00 0.00 C ATOM 297 CD1 TYR A 19 -4.429 -2.711 0.237 1.00 0.00 C ATOM 298 CD2 TYR A 19 -6.330 -2.447 -1.173 1.00 0.00 C ATOM 299 CE1 TYR A 19 -4.367 -4.051 -0.082 1.00 0.00 C ATOM 300 CE2 TYR A 19 -6.283 -3.790 -1.496 1.00 0.00 C ATOM 301 CZ TYR A 19 -5.298 -4.588 -0.948 1.00 0.00 C ATOM 302 OH TYR A 19 -5.245 -5.926 -1.267 1.00 0.00 O ATOM 0 H TYR A 19 -3.135 0.458 1.366 1.00 0.00 H new ATOM 0 HA TYR A 19 -4.013 0.170 -1.423 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -5.582 -0.339 1.144 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -6.396 -0.007 -0.372 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -3.703 -2.294 0.919 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -7.098 -1.823 -1.605 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -3.595 -4.676 0.343 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -7.011 -4.212 -2.172 1.00 0.00 H new ATOM 0 HH TYR A 19 -5.972 -6.143 -1.887 1.00 0.00 H new ATOM 312 N PHE A 20 -4.584 2.562 -1.496 1.00 0.00 N ATOM 313 CA PHE A 20 -4.941 3.983 -1.578 1.00 0.00 C ATOM 314 C PHE A 20 -6.267 4.168 -2.350 1.00 0.00 C ATOM 315 O PHE A 20 -6.912 3.182 -2.706 1.00 0.00 O ATOM 316 CB PHE A 20 -3.759 4.808 -2.162 1.00 0.00 C ATOM 317 CG PHE A 20 -3.689 4.915 -3.665 1.00 0.00 C ATOM 318 CD1 PHE A 20 -3.122 3.909 -4.430 1.00 0.00 C ATOM 319 CD2 PHE A 20 -4.193 6.036 -4.304 1.00 0.00 C ATOM 320 CE1 PHE A 20 -3.063 4.023 -5.807 1.00 0.00 C ATOM 321 CE2 PHE A 20 -4.139 6.153 -5.675 1.00 0.00 C ATOM 322 CZ PHE A 20 -3.574 5.147 -6.430 1.00 0.00 C ATOM 0 H PHE A 20 -4.250 2.156 -2.370 1.00 0.00 H new ATOM 0 HA PHE A 20 -5.119 4.372 -0.576 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -3.811 5.816 -1.751 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -2.827 4.367 -1.808 1.00 0.00 H new ATOM 0 HD1 PHE A 20 -2.723 3.029 -3.947 1.00 0.00 H new ATOM 0 HD2 PHE A 20 -4.634 6.829 -3.719 1.00 0.00 H new ATOM 0 HE1 PHE A 20 -2.618 3.234 -6.396 1.00 0.00 H new ATOM 0 HE2 PHE A 20 -4.539 7.032 -6.159 1.00 0.00 H new ATOM 0 HZ PHE A 20 -3.531 5.237 -7.505 1.00 0.00 H new ATOM 332 N TYR A 21 -6.664 5.425 -2.602 1.00 0.00 N ATOM 333 CA TYR A 21 -7.907 5.717 -3.326 1.00 0.00 C ATOM 334 C TYR A 21 -7.650 6.677 -4.486 1.00 0.00 C ATOM 335 O TYR A 21 -6.970 7.694 -4.315 1.00 0.00 O ATOM 336 CB TYR A 21 -8.960 6.328 -2.374 1.00 0.00 C ATOM 337 CG TYR A 21 -10.347 6.501 -2.982 1.00 0.00 C ATOM 338 CD1 TYR A 21 -11.144 5.402 -3.286 1.00 0.00 C ATOM 339 CD2 TYR A 21 -10.853 7.768 -3.243 1.00 0.00 C ATOM 340 CE1 TYR A 21 -12.402 5.562 -3.834 1.00 0.00 C ATOM 341 CE2 TYR A 21 -12.111 7.936 -3.790 1.00 0.00 C ATOM 342 CZ TYR A 21 -12.882 6.831 -4.083 1.00 0.00 C ATOM 343 OH TYR A 21 -14.135 6.995 -4.627 1.00 0.00 O ATOM 0 H TYR A 21 -6.142 6.253 -2.315 1.00 0.00 H new ATOM 0 HA TYR A 21 -8.287 4.777 -3.725 1.00 0.00 H new ATOM 0 HB2 TYR A 21 -9.042 5.694 -1.491 1.00 0.00 H new ATOM 0 HB3 TYR A 21 -8.603 7.301 -2.036 1.00 0.00 H new ATOM 0 HD1 TYR A 21 -10.773 4.407 -3.090 1.00 0.00 H new ATOM 0 HD2 TYR A 21 -10.253 8.637 -3.015 1.00 0.00 H new ATOM 0 HE1 TYR A 21 -13.007 4.698 -4.066 1.00 0.00 H new ATOM 0 HE2 TYR A 21 -12.489 8.928 -3.987 1.00 0.00 H new ATOM 0 HH TYR A 21 -14.321 7.951 -4.738 1.00 0.00 H new ATOM 353 N ASN A 22 -8.227 6.360 -5.652 1.00 0.00 N ATOM 354 CA ASN A 22 -8.095 7.202 -6.825 1.00 0.00 C ATOM 355 C ASN A 22 -9.415 7.925 -7.072 1.00 0.00 C ATOM 356 O ASN A 22 -10.403 7.306 -7.487 1.00 0.00 O ATOM 357 CB ASN A 22 -7.736 6.381 -8.064 1.00 0.00 C ATOM 358 CG ASN A 22 -6.545 5.458 -7.880 1.00 0.00 C ATOM 359 OD1 ASN A 22 -6.522 4.625 -6.973 1.00 0.00 O ATOM 360 ND2 ASN A 22 -5.552 5.597 -8.751 1.00 0.00 N ATOM 0 H ASN A 22 -8.789 5.522 -5.798 1.00 0.00 H new ATOM 0 HA ASN A 22 -7.293 7.917 -6.644 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -8.601 5.785 -8.353 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -7.528 7.062 -8.889 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -4.728 5.000 -8.684 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -5.614 6.301 -9.487 1.00 0.00 H new ATOM 367 N ALA A 23 -9.438 9.232 -6.795 1.00 0.00 N ATOM 368 CA ALA A 23 -10.647 10.049 -6.968 1.00 0.00 C ATOM 369 C ALA A 23 -11.058 10.209 -8.444 1.00 0.00 C ATOM 370 O ALA A 23 -12.089 10.828 -8.737 1.00 0.00 O ATOM 371 CB ALA A 23 -10.437 11.414 -6.325 1.00 0.00 C ATOM 0 H ALA A 23 -8.631 9.750 -6.449 1.00 0.00 H new ATOM 0 HA ALA A 23 -11.466 9.525 -6.474 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -11.334 12.019 -6.454 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -10.234 11.288 -5.261 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -9.592 11.913 -6.799 1.00 0.00 H new ATOM 377 N LYS A 24 -10.256 9.650 -9.368 1.00 0.00 N ATOM 378 CA LYS A 24 -10.548 9.740 -10.803 1.00 0.00 C ATOM 379 C LYS A 24 -11.277 8.480 -11.285 1.00 0.00 C ATOM 380 O LYS A 24 -12.124 8.548 -12.179 1.00 0.00 O ATOM 381 CB LYS A 24 -9.242 9.945 -11.590 1.00 0.00 C ATOM 382 CG LYS A 24 -9.439 10.452 -13.024 1.00 0.00 C ATOM 383 CD LYS A 24 -8.113 10.637 -13.766 1.00 0.00 C ATOM 384 CE LYS A 24 -7.401 11.941 -13.397 1.00 0.00 C ATOM 385 NZ LYS A 24 -8.156 13.147 -13.849 1.00 0.00 N ATOM 0 H LYS A 24 -9.405 9.134 -9.144 1.00 0.00 H new ATOM 0 HA LYS A 24 -11.201 10.595 -10.977 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -8.614 10.654 -11.050 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -8.700 9.000 -11.623 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -10.064 9.747 -13.573 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -9.974 11.401 -13.000 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -7.457 9.795 -13.543 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -8.298 10.621 -14.840 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -7.265 11.985 -12.316 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -6.407 11.949 -13.844 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -7.530 13.977 -13.827 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -8.500 12.998 -14.819 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -8.965 13.307 -13.216 1.00 0.00 H new ATOM 399 N ALA A 25 -10.920 7.341 -10.686 1.00 0.00 N ATOM 400 CA ALA A 25 -11.507 6.050 -11.033 1.00 0.00 C ATOM 401 C ALA A 25 -12.715 5.716 -10.157 1.00 0.00 C ATOM 402 O ALA A 25 -13.719 5.194 -10.651 1.00 0.00 O ATOM 403 CB ALA A 25 -10.450 4.964 -10.902 1.00 0.00 C ATOM 0 H ALA A 25 -10.217 7.291 -9.949 1.00 0.00 H new ATOM 0 HA ALA A 25 -11.860 6.105 -12.063 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -10.886 3.999 -11.161 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -9.621 5.180 -11.576 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -10.085 4.934 -9.875 1.00 0.00 H new ATOM 409 N GLY A 26 -12.595 6.003 -8.852 1.00 0.00 N ATOM 410 CA GLY A 26 -13.665 5.713 -7.907 1.00 0.00 C ATOM 411 C GLY A 26 -13.522 4.324 -7.314 1.00 0.00 C ATOM 412 O GLY A 26 -14.468 3.530 -7.338 1.00 0.00 O ATOM 0 H GLY A 26 -11.769 6.433 -8.436 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -13.656 6.454 -7.107 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -14.629 5.798 -8.410 1.00 0.00 H new ATOM 416 N LEU A 27 -12.323 4.039 -6.782 1.00 0.00 N ATOM 417 CA LEU A 27 -12.005 2.741 -6.166 1.00 0.00 C ATOM 418 C LEU A 27 -10.704 2.816 -5.357 1.00 0.00 C ATOM 419 O LEU A 27 -9.892 3.737 -5.548 1.00 0.00 O ATOM 420 CB LEU A 27 -11.921 1.610 -7.233 1.00 0.00 C ATOM 421 CG LEU A 27 -11.063 1.891 -8.487 1.00 0.00 C ATOM 422 CD1 LEU A 27 -9.587 1.614 -8.229 1.00 0.00 C ATOM 423 CD2 LEU A 27 -11.561 1.061 -9.662 1.00 0.00 C ATOM 0 H LEU A 27 -11.547 4.701 -6.767 1.00 0.00 H new ATOM 0 HA LEU A 27 -12.819 2.498 -5.482 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -11.530 0.715 -6.748 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -12.934 1.378 -7.561 1.00 0.00 H new ATOM 0 HG LEU A 27 -11.163 2.949 -8.730 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -9.014 1.823 -9.133 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -9.233 2.253 -7.420 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -9.456 0.568 -7.950 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -10.948 1.268 -10.539 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -11.493 0.002 -9.414 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -12.599 1.318 -9.875 1.00 0.00 H new ATOM 435 N CYS A 28 -10.514 1.831 -4.467 1.00 0.00 N ATOM 436 CA CYS A 28 -9.318 1.750 -3.631 1.00 0.00 C ATOM 437 C CYS A 28 -8.272 0.839 -4.270 1.00 0.00 C ATOM 438 O CYS A 28 -8.466 -0.377 -4.380 1.00 0.00 O ATOM 439 CB CYS A 28 -9.667 1.256 -2.223 1.00 0.00 C ATOM 440 SG CYS A 28 -10.427 2.521 -1.157 1.00 0.00 S ATOM 0 H CYS A 28 -11.182 1.076 -4.311 1.00 0.00 H new ATOM 0 HA CYS A 28 -8.899 2.753 -3.548 1.00 0.00 H new ATOM 0 HB2 CYS A 28 -10.348 0.409 -2.305 1.00 0.00 H new ATOM 0 HB3 CYS A 28 -8.760 0.890 -1.743 1.00 0.00 H new ATOM 445 N GLN A 29 -7.169 1.454 -4.710 1.00 0.00 N ATOM 446 CA GLN A 29 -6.072 0.745 -5.366 1.00 0.00 C ATOM 447 C GLN A 29 -5.066 0.222 -4.320 1.00 0.00 C ATOM 448 O GLN A 29 -5.366 0.221 -3.119 1.00 0.00 O ATOM 449 CB GLN A 29 -5.401 1.684 -6.388 1.00 0.00 C ATOM 450 CG GLN A 29 -4.830 0.986 -7.623 1.00 0.00 C ATOM 451 CD GLN A 29 -5.902 0.505 -8.590 1.00 0.00 C ATOM 452 OE1 GLN A 29 -6.665 1.301 -9.138 1.00 0.00 O ATOM 453 NE2 GLN A 29 -5.963 -0.805 -8.801 1.00 0.00 N ATOM 0 H GLN A 29 -7.014 2.458 -4.620 1.00 0.00 H new ATOM 0 HA GLN A 29 -6.459 -0.123 -5.899 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -6.131 2.426 -6.712 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -4.597 2.225 -5.890 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -4.162 1.672 -8.144 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -4.228 0.135 -7.305 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -5.311 -1.429 -8.326 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -6.662 -1.187 -9.438 1.00 0.00 H new ATOM 462 N THR A 30 -3.858 -0.148 -4.760 1.00 0.00 N ATOM 463 CA THR A 30 -2.811 -0.621 -3.861 1.00 0.00 C ATOM 464 C THR A 30 -1.536 0.149 -4.145 1.00 0.00 C ATOM 465 O THR A 30 -1.181 0.329 -5.314 1.00 0.00 O ATOM 466 CB THR A 30 -2.568 -2.127 -4.044 1.00 0.00 C ATOM 467 OG1 THR A 30 -2.347 -2.444 -5.408 1.00 0.00 O ATOM 468 CG2 THR A 30 -3.708 -2.994 -3.551 1.00 0.00 C ATOM 0 H THR A 30 -3.585 -0.127 -5.742 1.00 0.00 H new ATOM 0 HA THR A 30 -3.125 -0.456 -2.830 1.00 0.00 H new ATOM 0 HB THR A 30 -1.687 -2.342 -3.440 1.00 0.00 H new ATOM 0 HG1 THR A 30 -2.193 -3.408 -5.499 1.00 0.00 H new ATOM 0 HG21 THR A 30 -3.463 -4.044 -3.714 1.00 0.00 H new ATOM 0 HG22 THR A 30 -3.865 -2.819 -2.487 1.00 0.00 H new ATOM 0 HG23 THR A 30 -4.618 -2.744 -4.097 1.00 0.00 H new ATOM 476 N PHE A 31 -0.859 0.639 -3.099 1.00 0.00 N ATOM 477 CA PHE A 31 0.353 1.423 -3.283 1.00 0.00 C ATOM 478 C PHE A 31 1.473 0.966 -2.330 1.00 0.00 C ATOM 479 O PHE A 31 1.211 0.514 -1.224 1.00 0.00 O ATOM 480 CB PHE A 31 0.017 2.903 -3.040 1.00 0.00 C ATOM 481 CG PHE A 31 -0.032 3.270 -1.583 1.00 0.00 C ATOM 482 CD1 PHE A 31 -1.168 3.052 -0.808 1.00 0.00 C ATOM 483 CD2 PHE A 31 1.086 3.819 -0.995 1.00 0.00 C ATOM 484 CE1 PHE A 31 -1.168 3.385 0.533 1.00 0.00 C ATOM 485 CE2 PHE A 31 1.093 4.150 0.334 1.00 0.00 C ATOM 486 CZ PHE A 31 -0.035 3.933 1.107 1.00 0.00 C ATOM 0 H PHE A 31 -1.133 0.504 -2.126 1.00 0.00 H new ATOM 0 HA PHE A 31 0.718 1.280 -4.300 1.00 0.00 H new ATOM 0 HB2 PHE A 31 0.761 3.524 -3.539 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -0.946 3.130 -3.497 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -2.051 2.622 -1.256 1.00 0.00 H new ATOM 0 HD2 PHE A 31 1.970 3.991 -1.591 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -2.051 3.218 1.132 1.00 0.00 H new ATOM 0 HE2 PHE A 31 1.978 4.580 0.779 1.00 0.00 H new ATOM 0 HZ PHE A 31 -0.030 4.191 2.156 1.00 0.00 H new ATOM 496 N VAL A 32 2.703 1.096 -2.801 1.00 0.00 N ATOM 497 CA VAL A 32 3.910 0.697 -2.064 1.00 0.00 C ATOM 498 C VAL A 32 4.277 1.718 -0.974 1.00 0.00 C ATOM 499 O VAL A 32 4.436 2.912 -1.242 1.00 0.00 O ATOM 500 CB VAL A 32 5.132 0.505 -3.019 1.00 0.00 C ATOM 501 CG1 VAL A 32 6.293 -0.192 -2.313 1.00 0.00 C ATOM 502 CG2 VAL A 32 4.747 -0.274 -4.275 1.00 0.00 C ATOM 0 H VAL A 32 2.903 1.488 -3.721 1.00 0.00 H new ATOM 0 HA VAL A 32 3.676 -0.256 -1.590 1.00 0.00 H new ATOM 0 HB VAL A 32 5.456 1.503 -3.316 1.00 0.00 H new ATOM 0 HG11 VAL A 32 7.125 -0.308 -3.008 1.00 0.00 H new ATOM 0 HG12 VAL A 32 6.613 0.408 -1.461 1.00 0.00 H new ATOM 0 HG13 VAL A 32 5.971 -1.174 -1.965 1.00 0.00 H new ATOM 0 HG21 VAL A 32 5.622 -0.388 -4.915 1.00 0.00 H new ATOM 0 HG22 VAL A 32 4.374 -1.258 -3.992 1.00 0.00 H new ATOM 0 HG23 VAL A 32 3.970 0.267 -4.815 1.00 0.00 H new ATOM 512 N TYR A 33 4.413 1.200 0.251 1.00 0.00 N ATOM 513 CA TYR A 33 4.770 1.988 1.428 1.00 0.00 C ATOM 514 C TYR A 33 5.984 1.350 2.109 1.00 0.00 C ATOM 515 O TYR A 33 5.988 0.143 2.371 1.00 0.00 O ATOM 516 CB TYR A 33 3.571 2.042 2.395 1.00 0.00 C ATOM 517 CG TYR A 33 3.761 2.927 3.616 1.00 0.00 C ATOM 518 CD1 TYR A 33 3.698 4.314 3.521 1.00 0.00 C ATOM 519 CD2 TYR A 33 4.002 2.366 4.864 1.00 0.00 C ATOM 520 CE1 TYR A 33 3.867 5.113 4.636 1.00 0.00 C ATOM 521 CE2 TYR A 33 4.173 3.158 5.983 1.00 0.00 C ATOM 522 CZ TYR A 33 4.105 4.529 5.864 1.00 0.00 C ATOM 523 OH TYR A 33 4.270 5.320 6.977 1.00 0.00 O ATOM 0 H TYR A 33 4.276 0.209 0.452 1.00 0.00 H new ATOM 0 HA TYR A 33 5.024 3.006 1.134 1.00 0.00 H new ATOM 0 HB2 TYR A 33 2.697 2.392 1.845 1.00 0.00 H new ATOM 0 HB3 TYR A 33 3.351 1.029 2.732 1.00 0.00 H new ATOM 0 HD1 TYR A 33 3.514 4.773 2.561 1.00 0.00 H new ATOM 0 HD2 TYR A 33 4.057 1.292 4.961 1.00 0.00 H new ATOM 0 HE1 TYR A 33 3.813 6.188 4.547 1.00 0.00 H new ATOM 0 HE2 TYR A 33 4.359 2.705 6.946 1.00 0.00 H new ATOM 0 HH TYR A 33 4.428 4.753 7.761 1.00 0.00 H new ATOM 533 N GLY A 34 7.009 2.162 2.382 1.00 0.00 N ATOM 534 CA GLY A 34 8.218 1.658 3.021 1.00 0.00 C ATOM 535 C GLY A 34 8.623 2.452 4.247 1.00 0.00 C ATOM 536 O GLY A 34 7.871 3.314 4.714 1.00 0.00 O ATOM 0 H GLY A 34 7.023 3.160 2.172 1.00 0.00 H new ATOM 0 HA2 GLY A 34 8.064 0.617 3.305 1.00 0.00 H new ATOM 0 HA3 GLY A 34 9.035 1.674 2.300 1.00 0.00 H new ATOM 540 N GLY A 35 9.825 2.155 4.761 1.00 0.00 N ATOM 541 CA GLY A 35 10.347 2.841 5.940 1.00 0.00 C ATOM 542 C GLY A 35 11.110 4.115 5.597 1.00 0.00 C ATOM 543 O GLY A 35 11.447 4.898 6.491 1.00 0.00 O ATOM 0 H GLY A 35 10.449 1.445 4.376 1.00 0.00 H new ATOM 0 HA2 GLY A 35 9.520 3.087 6.606 1.00 0.00 H new ATOM 0 HA3 GLY A 35 11.006 2.165 6.485 1.00 0.00 H new ATOM 547 N CYS A 36 11.370 4.322 4.297 1.00 0.00 N ATOM 548 CA CYS A 36 12.084 5.508 3.808 1.00 0.00 C ATOM 549 C CYS A 36 11.156 6.715 3.648 1.00 0.00 C ATOM 550 O CYS A 36 11.571 7.852 3.894 1.00 0.00 O ATOM 551 CB CYS A 36 12.810 5.212 2.485 1.00 0.00 C ATOM 552 SG CYS A 36 12.755 3.480 1.929 1.00 0.00 S ATOM 0 H CYS A 36 11.092 3.674 3.560 1.00 0.00 H new ATOM 0 HA CYS A 36 12.827 5.762 4.564 1.00 0.00 H new ATOM 0 HB2 CYS A 36 12.377 5.839 1.706 1.00 0.00 H new ATOM 0 HB3 CYS A 36 13.854 5.508 2.590 1.00 0.00 H new ATOM 557 N ARG A 37 9.903 6.460 3.256 1.00 0.00 N ATOM 558 CA ARG A 37 8.914 7.526 3.084 1.00 0.00 C ATOM 559 C ARG A 37 7.622 7.180 3.829 1.00 0.00 C ATOM 560 O ARG A 37 6.669 6.637 3.254 1.00 0.00 O ATOM 561 CB ARG A 37 8.644 7.799 1.595 1.00 0.00 C ATOM 562 CG ARG A 37 9.837 8.390 0.855 1.00 0.00 C ATOM 563 CD ARG A 37 9.467 8.811 -0.563 1.00 0.00 C ATOM 564 NE ARG A 37 10.620 9.325 -1.328 1.00 0.00 N ATOM 565 CZ ARG A 37 11.267 10.482 -1.083 1.00 0.00 C ATOM 566 NH1 ARG A 37 10.908 11.272 -0.075 1.00 0.00 N ATOM 567 NH2 ARG A 37 12.284 10.838 -1.856 1.00 0.00 N ATOM 0 H ARG A 37 9.551 5.525 3.052 1.00 0.00 H new ATOM 0 HA ARG A 37 9.320 8.442 3.514 1.00 0.00 H new ATOM 0 HB2 ARG A 37 8.353 6.867 1.111 1.00 0.00 H new ATOM 0 HB3 ARG A 37 7.799 8.482 1.507 1.00 0.00 H new ATOM 0 HG2 ARG A 37 10.215 9.252 1.404 1.00 0.00 H new ATOM 0 HG3 ARG A 37 10.643 7.657 0.819 1.00 0.00 H new ATOM 0 HD2 ARG A 37 9.039 7.958 -1.090 1.00 0.00 H new ATOM 0 HD3 ARG A 37 8.695 9.579 -0.519 1.00 0.00 H new ATOM 0 HE ARG A 37 10.955 8.758 -2.107 1.00 0.00 H new ATOM 0 HH11 ARG A 37 10.130 11.006 0.529 1.00 0.00 H new ATOM 0 HH12 ARG A 37 11.410 12.144 0.094 1.00 0.00 H new ATOM 0 HH21 ARG A 37 12.571 10.238 -2.629 1.00 0.00 H new ATOM 0 HH22 ARG A 37 12.779 11.712 -1.677 1.00 0.00 H new ATOM 581 N ALA A 38 7.619 7.491 5.130 1.00 0.00 N ATOM 582 CA ALA A 38 6.475 7.219 6.001 1.00 0.00 C ATOM 583 C ALA A 38 5.539 8.421 6.087 1.00 0.00 C ATOM 584 O ALA A 38 5.929 9.498 6.554 1.00 0.00 O ATOM 585 CB ALA A 38 6.958 6.810 7.387 1.00 0.00 C ATOM 0 H ALA A 38 8.405 7.935 5.604 1.00 0.00 H new ATOM 0 HA ALA A 38 5.908 6.395 5.568 1.00 0.00 H new ATOM 0 HB1 ALA A 38 6.099 6.610 8.027 1.00 0.00 H new ATOM 0 HB2 ALA A 38 7.569 5.911 7.309 1.00 0.00 H new ATOM 0 HB3 ALA A 38 7.552 7.616 7.818 1.00 0.00 H new ATOM 591 N LYS A 39 4.298 8.221 5.626 1.00 0.00 N ATOM 592 CA LYS A 39 3.274 9.272 5.633 1.00 0.00 C ATOM 593 C LYS A 39 1.890 8.670 5.850 1.00 0.00 C ATOM 594 O LYS A 39 1.742 7.458 6.043 1.00 0.00 O ATOM 595 CB LYS A 39 3.258 10.025 4.289 1.00 0.00 C ATOM 596 CG LYS A 39 3.612 11.508 4.369 1.00 0.00 C ATOM 597 CD LYS A 39 2.491 12.343 4.984 1.00 0.00 C ATOM 598 CE LYS A 39 2.867 13.814 5.054 1.00 0.00 C ATOM 599 NZ LYS A 39 1.781 14.637 5.653 1.00 0.00 N ATOM 0 H LYS A 39 3.977 7.333 5.240 1.00 0.00 H new ATOM 0 HA LYS A 39 3.517 9.959 6.444 1.00 0.00 H new ATOM 0 HB2 LYS A 39 3.957 9.537 3.610 1.00 0.00 H new ATOM 0 HB3 LYS A 39 2.266 9.928 3.849 1.00 0.00 H new ATOM 0 HG2 LYS A 39 4.519 11.631 4.961 1.00 0.00 H new ATOM 0 HG3 LYS A 39 3.832 11.881 3.368 1.00 0.00 H new ATOM 0 HD2 LYS A 39 1.583 12.226 4.393 1.00 0.00 H new ATOM 0 HD3 LYS A 39 2.269 11.975 5.986 1.00 0.00 H new ATOM 0 HE2 LYS A 39 3.776 13.928 5.644 1.00 0.00 H new ATOM 0 HE3 LYS A 39 3.089 14.180 4.052 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 2.077 15.634 5.683 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 0.920 14.548 5.076 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 1.586 14.305 6.619 1.00 0.00 H new ATOM 613 N ARG A 40 0.886 9.535 5.764 1.00 0.00 N ATOM 614 CA ARG A 40 -0.511 9.138 5.891 1.00 0.00 C ATOM 615 C ARG A 40 -1.163 9.268 4.519 1.00 0.00 C ATOM 616 O ARG A 40 -1.666 10.335 4.145 1.00 0.00 O ATOM 617 CB ARG A 40 -1.249 9.994 6.937 1.00 0.00 C ATOM 618 CG ARG A 40 -0.721 9.835 8.356 1.00 0.00 C ATOM 619 CD ARG A 40 -1.493 10.698 9.340 1.00 0.00 C ATOM 620 NE ARG A 40 -0.997 10.545 10.712 1.00 0.00 N ATOM 621 CZ ARG A 40 -1.492 11.187 11.779 1.00 0.00 C ATOM 622 NH1 ARG A 40 -2.507 12.043 11.660 1.00 0.00 N ATOM 623 NH2 ARG A 40 -0.964 10.971 12.976 1.00 0.00 N ATOM 0 H ARG A 40 1.018 10.534 5.604 1.00 0.00 H new ATOM 0 HA ARG A 40 -0.569 8.107 6.239 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -1.176 11.043 6.649 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -2.307 9.733 6.923 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -0.791 8.789 8.656 1.00 0.00 H new ATOM 0 HG3 ARG A 40 0.335 10.105 8.384 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -1.418 11.744 9.042 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -2.549 10.432 9.305 1.00 0.00 H new ATOM 0 HE ARG A 40 -0.219 9.903 10.865 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -2.921 12.219 10.745 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -2.870 12.522 12.484 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -0.186 10.320 13.080 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -1.336 11.456 13.793 1.00 0.00 H new ATOM 637 N ASN A 41 -1.110 8.174 3.754 1.00 0.00 N ATOM 638 CA ASN A 41 -1.653 8.140 2.399 1.00 0.00 C ATOM 639 C ASN A 41 -3.137 7.772 2.391 1.00 0.00 C ATOM 640 O ASN A 41 -3.982 8.612 2.072 1.00 0.00 O ATOM 641 CB ASN A 41 -0.826 7.166 1.543 1.00 0.00 C ATOM 642 CG ASN A 41 -1.052 7.280 0.031 1.00 0.00 C ATOM 643 OD1 ASN A 41 -0.489 6.503 -0.738 1.00 0.00 O ATOM 644 ND2 ASN A 41 -1.866 8.241 -0.402 1.00 0.00 N ATOM 0 H ASN A 41 -0.692 7.294 4.056 1.00 0.00 H new ATOM 0 HA ASN A 41 -1.581 9.139 1.969 1.00 0.00 H new ATOM 0 HB2 ASN A 41 0.231 7.331 1.751 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -1.057 6.147 1.854 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -2.040 8.351 -1.401 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -2.316 8.867 0.266 1.00 0.00 H new ATOM 651 N ASN A 42 -3.448 6.522 2.741 1.00 0.00 N ATOM 652 CA ASN A 42 -4.814 6.045 2.775 1.00 0.00 C ATOM 653 C ASN A 42 -4.946 4.947 3.831 1.00 0.00 C ATOM 654 O ASN A 42 -5.164 5.249 5.008 1.00 0.00 O ATOM 655 CB ASN A 42 -5.243 5.549 1.380 1.00 0.00 C ATOM 656 CG ASN A 42 -6.747 5.526 1.196 1.00 0.00 C ATOM 657 OD1 ASN A 42 -7.463 4.819 1.905 1.00 0.00 O ATOM 658 ND2 ASN A 42 -7.230 6.304 0.238 1.00 0.00 N ATOM 0 H ASN A 42 -2.756 5.821 3.006 1.00 0.00 H new ATOM 0 HA ASN A 42 -5.481 6.863 3.049 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -4.799 6.192 0.620 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -4.848 4.546 1.220 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -8.234 6.334 0.063 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -6.597 6.873 -0.325 1.00 0.00 H new ATOM 665 N PHE A 43 -4.824 3.671 3.411 1.00 0.00 N ATOM 666 CA PHE A 43 -4.951 2.528 4.324 1.00 0.00 C ATOM 667 C PHE A 43 -4.203 1.301 3.817 1.00 0.00 C ATOM 668 O PHE A 43 -3.778 1.258 2.666 1.00 0.00 O ATOM 669 CB PHE A 43 -6.424 2.153 4.479 1.00 0.00 C ATOM 670 CG PHE A 43 -7.214 3.092 5.346 1.00 0.00 C ATOM 671 CD1 PHE A 43 -7.309 2.881 6.712 1.00 0.00 C ATOM 672 CD2 PHE A 43 -7.858 4.185 4.796 1.00 0.00 C ATOM 673 CE1 PHE A 43 -8.033 3.744 7.512 1.00 0.00 C ATOM 674 CE2 PHE A 43 -8.582 5.050 5.587 1.00 0.00 C ATOM 675 CZ PHE A 43 -8.669 4.832 6.948 1.00 0.00 C ATOM 0 H PHE A 43 -4.637 3.411 2.442 1.00 0.00 H new ATOM 0 HA PHE A 43 -4.519 2.832 5.277 1.00 0.00 H new ATOM 0 HB2 PHE A 43 -6.883 2.116 3.491 1.00 0.00 H new ATOM 0 HB3 PHE A 43 -6.489 1.149 4.898 1.00 0.00 H new ATOM 0 HD1 PHE A 43 -6.811 2.032 7.157 1.00 0.00 H new ATOM 0 HD2 PHE A 43 -7.793 4.363 3.733 1.00 0.00 H new ATOM 0 HE1 PHE A 43 -8.101 3.568 8.575 1.00 0.00 H new ATOM 0 HE2 PHE A 43 -9.081 5.898 5.143 1.00 0.00 H new ATOM 0 HZ PHE A 43 -9.233 5.511 7.570 1.00 0.00 H new ATOM 685 N LYS A 44 -4.076 0.297 4.696 1.00 0.00 N ATOM 686 CA LYS A 44 -3.414 -0.965 4.367 1.00 0.00 C ATOM 687 C LYS A 44 -4.455 -2.019 3.938 1.00 0.00 C ATOM 688 O LYS A 44 -4.124 -2.963 3.215 1.00 0.00 O ATOM 689 CB LYS A 44 -2.606 -1.459 5.586 1.00 0.00 C ATOM 690 CG LYS A 44 -1.451 -2.422 5.260 1.00 0.00 C ATOM 691 CD LYS A 44 -1.903 -3.875 5.075 1.00 0.00 C ATOM 692 CE LYS A 44 -2.136 -4.587 6.406 1.00 0.00 C ATOM 693 NZ LYS A 44 -2.575 -5.996 6.213 1.00 0.00 N ATOM 0 H LYS A 44 -4.430 0.340 5.652 1.00 0.00 H new ATOM 0 HA LYS A 44 -2.730 -0.806 3.533 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -2.199 -0.593 6.107 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -3.288 -1.955 6.277 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -0.953 -2.086 4.351 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -0.714 -2.378 6.062 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -2.822 -3.895 4.490 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -1.150 -4.417 4.503 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -1.217 -4.570 6.992 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -2.890 -4.047 6.979 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -2.722 -6.444 7.140 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -3.465 -6.012 5.676 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -1.845 -6.518 5.688 1.00 0.00 H new ATOM 707 N SER A 45 -5.707 -1.846 4.397 1.00 0.00 N ATOM 708 CA SER A 45 -6.798 -2.774 4.078 1.00 0.00 C ATOM 709 C SER A 45 -7.857 -2.117 3.183 1.00 0.00 C ATOM 710 O SER A 45 -8.031 -0.890 3.198 1.00 0.00 O ATOM 711 CB SER A 45 -7.443 -3.286 5.371 1.00 0.00 C ATOM 712 OG SER A 45 -8.416 -4.286 5.107 1.00 0.00 O ATOM 0 H SER A 45 -5.986 -1.067 4.993 1.00 0.00 H new ATOM 0 HA SER A 45 -6.374 -3.613 3.527 1.00 0.00 H new ATOM 0 HB2 SER A 45 -6.673 -3.691 6.027 1.00 0.00 H new ATOM 0 HB3 SER A 45 -7.909 -2.455 5.900 1.00 0.00 H new ATOM 0 HG SER A 45 -8.807 -4.593 5.952 1.00 0.00 H new ATOM 718 N ALA A 46 -8.562 -2.959 2.405 1.00 0.00 N ATOM 719 CA ALA A 46 -9.612 -2.508 1.480 1.00 0.00 C ATOM 720 C ALA A 46 -10.864 -2.011 2.213 1.00 0.00 C ATOM 721 O ALA A 46 -11.360 -0.922 1.915 1.00 0.00 O ATOM 722 CB ALA A 46 -9.970 -3.626 0.509 1.00 0.00 C ATOM 0 H ALA A 46 -8.418 -3.969 2.402 1.00 0.00 H new ATOM 0 HA ALA A 46 -9.213 -1.660 0.924 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -10.749 -3.281 -0.172 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -9.086 -3.908 -0.063 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -10.332 -4.490 1.066 1.00 0.00 H new ATOM 728 N GLU A 47 -11.370 -2.816 3.170 1.00 0.00 N ATOM 729 CA GLU A 47 -12.573 -2.466 3.958 1.00 0.00 C ATOM 730 C GLU A 47 -12.396 -1.111 4.671 1.00 0.00 C ATOM 731 O GLU A 47 -13.351 -0.340 4.804 1.00 0.00 O ATOM 732 CB GLU A 47 -12.864 -3.578 4.980 1.00 0.00 C ATOM 733 CG GLU A 47 -14.281 -3.549 5.561 1.00 0.00 C ATOM 734 CD GLU A 47 -14.555 -4.659 6.573 1.00 0.00 C ATOM 735 OE1 GLU A 47 -13.646 -5.476 6.846 1.00 0.00 O ATOM 736 OE2 GLU A 47 -15.689 -4.707 7.095 1.00 0.00 O ATOM 0 H GLU A 47 -10.962 -3.718 3.418 1.00 0.00 H new ATOM 0 HA GLU A 47 -13.419 -2.374 3.277 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -12.700 -4.545 4.504 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -12.148 -3.500 5.798 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -14.448 -2.584 6.040 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -15.000 -3.628 4.745 1.00 0.00 H new ATOM 743 N ASP A 48 -11.154 -0.841 5.096 1.00 0.00 N ATOM 744 CA ASP A 48 -10.800 0.414 5.774 1.00 0.00 C ATOM 745 C ASP A 48 -10.785 1.581 4.773 1.00 0.00 C ATOM 746 O ASP A 48 -11.441 2.613 4.993 1.00 0.00 O ATOM 747 CB ASP A 48 -9.443 0.285 6.479 1.00 0.00 C ATOM 748 CG ASP A 48 -9.482 -0.671 7.659 1.00 0.00 C ATOM 749 OD1 ASP A 48 -10.250 -0.411 8.610 1.00 0.00 O ATOM 750 OD2 ASP A 48 -8.744 -1.678 7.632 1.00 0.00 O ATOM 0 H ASP A 48 -10.370 -1.483 4.980 1.00 0.00 H new ATOM 0 HA ASP A 48 -11.557 0.621 6.531 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -8.698 -0.060 5.762 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -9.123 1.268 6.824 1.00 0.00 H new ATOM 755 N CYS A 49 -10.062 1.393 3.650 1.00 0.00 N ATOM 756 CA CYS A 49 -9.984 2.409 2.588 1.00 0.00 C ATOM 757 C CYS A 49 -11.372 2.705 2.000 1.00 0.00 C ATOM 758 O CYS A 49 -11.642 3.829 1.567 1.00 0.00 O ATOM 759 CB CYS A 49 -9.036 1.942 1.478 1.00 0.00 C ATOM 760 SG CYS A 49 -8.906 3.088 0.064 1.00 0.00 S ATOM 0 H CYS A 49 -9.525 0.547 3.458 1.00 0.00 H new ATOM 0 HA CYS A 49 -9.597 3.328 3.029 1.00 0.00 H new ATOM 0 HB2 CYS A 49 -8.043 1.795 1.903 1.00 0.00 H new ATOM 0 HB3 CYS A 49 -9.373 0.972 1.114 1.00 0.00 H new ATOM 765 N MET A 50 -12.247 1.684 2.001 1.00 0.00 N ATOM 766 CA MET A 50 -13.605 1.802 1.488 1.00 0.00 C ATOM 767 C MET A 50 -14.508 2.563 2.464 1.00 0.00 C ATOM 768 O MET A 50 -15.205 3.493 2.065 1.00 0.00 O ATOM 769 CB MET A 50 -14.173 0.408 1.210 1.00 0.00 C ATOM 770 CG MET A 50 -13.617 -0.246 -0.047 1.00 0.00 C ATOM 771 SD MET A 50 -14.306 -1.887 -0.338 1.00 0.00 S ATOM 772 CE MET A 50 -13.461 -2.348 -1.848 1.00 0.00 C ATOM 0 H MET A 50 -12.023 0.756 2.360 1.00 0.00 H new ATOM 0 HA MET A 50 -13.573 2.371 0.559 1.00 0.00 H new ATOM 0 HB2 MET A 50 -13.965 -0.235 2.065 1.00 0.00 H new ATOM 0 HB3 MET A 50 -15.257 0.479 1.121 1.00 0.00 H new ATOM 0 HG2 MET A 50 -13.828 0.390 -0.907 1.00 0.00 H new ATOM 0 HG3 MET A 50 -12.533 -0.321 0.036 1.00 0.00 H new ATOM 0 HE1 MET A 50 -13.783 -3.343 -2.156 1.00 0.00 H new ATOM 0 HE2 MET A 50 -13.700 -1.630 -2.633 1.00 0.00 H new ATOM 0 HE3 MET A 50 -12.385 -2.352 -1.676 1.00 0.00 H new ATOM 782 N ARG A 51 -14.490 2.169 3.750 1.00 0.00 N ATOM 783 CA ARG A 51 -15.316 2.832 4.778 1.00 0.00 C ATOM 784 C ARG A 51 -14.953 4.321 4.938 1.00 0.00 C ATOM 785 O ARG A 51 -15.805 5.128 5.324 1.00 0.00 O ATOM 786 CB ARG A 51 -15.225 2.092 6.134 1.00 0.00 C ATOM 787 CG ARG A 51 -13.818 1.966 6.727 1.00 0.00 C ATOM 788 CD ARG A 51 -13.825 1.227 8.061 1.00 0.00 C ATOM 789 NE ARG A 51 -14.495 1.989 9.124 1.00 0.00 N ATOM 790 CZ ARG A 51 -14.640 1.570 10.389 1.00 0.00 C ATOM 791 NH1 ARG A 51 -14.168 0.388 10.782 1.00 0.00 N ATOM 792 NH2 ARG A 51 -15.264 2.342 11.268 1.00 0.00 N ATOM 0 H ARG A 51 -13.918 1.401 4.101 1.00 0.00 H new ATOM 0 HA ARG A 51 -16.349 2.785 4.435 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -15.858 2.611 6.854 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -15.638 1.091 6.010 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -13.174 1.438 6.024 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -13.392 2.960 6.865 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -14.324 0.266 7.937 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -12.799 1.017 8.361 1.00 0.00 H new ATOM 0 HE ARG A 51 -14.877 2.903 8.882 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -13.686 -0.216 10.116 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -14.288 0.087 11.749 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -15.631 3.249 10.980 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -15.377 2.029 12.232 1.00 0.00 H new ATOM 806 N THR A 52 -13.690 4.668 4.642 1.00 0.00 N ATOM 807 CA THR A 52 -13.220 6.051 4.756 1.00 0.00 C ATOM 808 C THR A 52 -13.366 6.817 3.418 1.00 0.00 C ATOM 809 O THR A 52 -14.080 7.823 3.361 1.00 0.00 O ATOM 810 CB THR A 52 -11.761 6.067 5.257 1.00 0.00 C ATOM 811 OG1 THR A 52 -11.613 5.198 6.367 1.00 0.00 O ATOM 812 CG2 THR A 52 -11.264 7.432 5.702 1.00 0.00 C ATOM 0 H THR A 52 -12.980 4.009 4.323 1.00 0.00 H new ATOM 0 HA THR A 52 -13.846 6.568 5.483 1.00 0.00 H new ATOM 0 HB THR A 52 -11.172 5.752 4.396 1.00 0.00 H new ATOM 0 HG1 THR A 52 -10.660 5.061 6.550 1.00 0.00 H new ATOM 0 HG21 THR A 52 -10.230 7.351 6.038 1.00 0.00 H new ATOM 0 HG22 THR A 52 -11.320 8.130 4.867 1.00 0.00 H new ATOM 0 HG23 THR A 52 -11.885 7.796 6.521 1.00 0.00 H new ATOM 820 N CYS A 53 -12.669 6.356 2.363 1.00 0.00 N ATOM 821 CA CYS A 53 -12.698 7.014 1.054 1.00 0.00 C ATOM 822 C CYS A 53 -13.765 6.466 0.096 1.00 0.00 C ATOM 823 O CYS A 53 -14.177 7.179 -0.825 1.00 0.00 O ATOM 824 CB CYS A 53 -11.322 6.939 0.386 1.00 0.00 C ATOM 825 SG CYS A 53 -9.996 6.182 1.391 1.00 0.00 S ATOM 0 H CYS A 53 -12.078 5.526 2.398 1.00 0.00 H new ATOM 0 HA CYS A 53 -12.969 8.050 1.256 1.00 0.00 H new ATOM 0 HB2 CYS A 53 -11.418 6.374 -0.541 1.00 0.00 H new ATOM 0 HB3 CYS A 53 -11.015 7.949 0.113 1.00 0.00 H new ATOM 830 N GLY A 54 -14.203 5.217 0.296 1.00 0.00 N ATOM 831 CA GLY A 54 -15.210 4.626 -0.584 1.00 0.00 C ATOM 832 C GLY A 54 -16.634 4.892 -0.122 1.00 0.00 C ATOM 833 O GLY A 54 -17.458 3.973 -0.078 1.00 0.00 O ATOM 0 H GLY A 54 -13.881 4.607 1.047 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -15.081 5.022 -1.591 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -15.048 3.550 -0.641 1.00 0.00 H new