USER MOD reduce.3.24.130724 H: found=0, std=0, add=179, rem=0, adj=5 USER MOD reduce.3.24.130724 removed 179 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 48 ASN : amide:sc= 0.0705 K(o=0.07,f=-0.55) USER MOD Single : A 53 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 55 LYS NZ :NH3+ -170:sc=-0.00471 (180deg=-0.118) USER MOD Single : A 58 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 61 SER OG : rot -121:sc= 0.194 USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 GLN : amide:sc= -0.127 X(o=-0.13,f=-0.13) USER MOD Single : A 69 LYS NZ :NH3+ -114:sc= 0.602 (180deg=-0.364) USER MOD Single : A 70 CYS SG : rot 180:sc= -0.118 USER MOD ----------------------------------------------------------------- ATOM 116 N GLU A 46 26.835 23.592 26.027 1.00 20.00 N ATOM 117 CA GLU A 46 26.272 23.212 27.319 1.00 20.00 C ATOM 118 C GLU A 46 24.993 22.406 27.106 1.00 20.00 C ATOM 119 O GLU A 46 24.022 22.885 26.516 1.00 20.00 O ATOM 120 CB GLU A 46 26.019 24.433 28.205 1.00 20.00 C ATOM 121 CG GLU A 46 27.352 24.942 28.763 1.00 20.00 C ATOM 122 CD GLU A 46 27.177 26.188 29.629 1.00 20.00 C ATOM 123 OE1 GLU A 46 26.599 26.051 30.731 1.00 20.00 O ATOM 124 OE2 GLU A 46 27.635 27.264 29.185 1.00 20.00 O ATOM 0 HA GLU A 46 26.997 22.589 27.842 1.00 20.00 H new ATOM 0 HB2 GLU A 46 25.529 25.219 27.629 1.00 20.00 H new ATOM 0 HB3 GLU A 46 25.347 24.170 29.022 1.00 20.00 H new ATOM 0 HG2 GLU A 46 27.821 24.155 29.353 1.00 20.00 H new ATOM 0 HG3 GLU A 46 28.027 25.167 27.937 1.00 20.00 H new ATOM 131 N CYS A 47 25.042 21.166 27.590 1.00 20.00 N ATOM 132 CA CYS A 47 24.072 20.117 27.328 1.00 20.00 C ATOM 133 C CYS A 47 22.917 20.195 28.334 1.00 20.00 C ATOM 134 O CYS A 47 22.935 19.558 29.393 1.00 20.00 O ATOM 135 CB CYS A 47 24.778 18.759 27.324 1.00 20.00 C ATOM 136 SG CYS A 47 26.064 18.644 26.045 1.00 20.00 S ATOM 0 H CYS A 47 25.796 20.856 28.203 1.00 20.00 H new ATOM 0 HA CYS A 47 23.627 20.252 26.342 1.00 20.00 H new ATOM 0 HB2 CYS A 47 25.227 18.584 28.302 1.00 20.00 H new ATOM 0 HB3 CYS A 47 24.042 17.971 27.165 1.00 20.00 H new ATOM 141 N ASN A 48 21.923 21.011 27.970 1.00 20.00 N ATOM 142 CA ASN A 48 20.720 21.288 28.731 1.00 20.00 C ATOM 143 C ASN A 48 19.626 20.255 28.399 1.00 20.00 C ATOM 144 O ASN A 48 19.687 19.623 27.340 1.00 20.00 O ATOM 145 CB ASN A 48 20.244 22.712 28.381 1.00 20.00 C ATOM 146 CG ASN A 48 21.010 23.792 29.137 1.00 20.00 C ATOM 147 OD1 ASN A 48 20.439 24.512 29.949 1.00 20.00 O ATOM 148 ND2 ASN A 48 22.308 23.933 28.885 1.00 20.00 N ATOM 0 H ASN A 48 21.946 21.520 27.086 1.00 20.00 H new ATOM 0 HA ASN A 48 20.929 21.219 29.799 1.00 20.00 H new ATOM 0 HB2 ASN A 48 20.357 22.875 27.309 1.00 20.00 H new ATOM 0 HB3 ASN A 48 19.181 22.801 28.607 1.00 20.00 H new ATOM 0 HD21 ASN A 48 22.847 24.650 29.371 1.00 20.00 H new ATOM 0 HD22 ASN A 48 22.765 23.324 28.206 1.00 20.00 H new ATOM 155 N PRO A 49 18.589 20.117 29.250 1.00 20.00 N ATOM 156 CA PRO A 49 17.402 19.344 28.918 1.00 20.00 C ATOM 157 C PRO A 49 16.606 20.042 27.809 1.00 20.00 C ATOM 158 O PRO A 49 16.677 21.261 27.650 1.00 20.00 O ATOM 159 CB PRO A 49 16.600 19.237 30.219 1.00 20.00 C ATOM 160 CG PRO A 49 16.988 20.501 30.976 1.00 20.00 C ATOM 161 CD PRO A 49 18.439 20.740 30.555 1.00 20.00 C ATOM 0 HA PRO A 49 17.647 18.353 28.535 1.00 20.00 H new ATOM 0 HB2 PRO A 49 15.528 19.196 30.028 1.00 20.00 H new ATOM 0 HB3 PRO A 49 16.859 18.338 30.778 1.00 20.00 H new ATOM 0 HG2 PRO A 49 16.349 21.342 30.707 1.00 20.00 H new ATOM 0 HG3 PRO A 49 16.900 20.366 32.054 1.00 20.00 H new ATOM 0 HD2 PRO A 49 18.660 21.806 30.505 1.00 20.00 H new ATOM 0 HD3 PRO A 49 19.131 20.305 31.276 1.00 20.00 H new ATOM 169 N LEU A 50 15.824 19.255 27.064 1.00 20.00 N ATOM 170 CA LEU A 50 14.989 19.722 25.962 1.00 20.00 C ATOM 171 C LEU A 50 13.921 20.702 26.462 1.00 20.00 C ATOM 172 O LEU A 50 13.654 21.706 25.802 1.00 20.00 O ATOM 173 CB LEU A 50 14.331 18.506 25.292 1.00 20.00 C ATOM 174 CG LEU A 50 15.332 17.494 24.684 1.00 20.00 C ATOM 175 CD1 LEU A 50 14.620 16.147 24.504 1.00 20.00 C ATOM 176 CD2 LEU A 50 15.902 17.965 23.340 1.00 20.00 C ATOM 0 H LEU A 50 15.755 18.249 27.218 1.00 20.00 H new ATOM 0 HA LEU A 50 15.609 20.252 25.239 1.00 20.00 H new ATOM 0 HB2 LEU A 50 13.713 17.991 26.028 1.00 20.00 H new ATOM 0 HB3 LEU A 50 13.664 18.857 24.505 1.00 20.00 H new ATOM 0 HG LEU A 50 16.175 17.400 25.369 1.00 20.00 H new ATOM 0 HD11 LEU A 50 15.314 15.423 24.076 1.00 20.00 H new ATOM 0 HD12 LEU A 50 14.272 15.787 25.472 1.00 20.00 H new ATOM 0 HD13 LEU A 50 13.768 16.272 23.836 1.00 20.00 H new ATOM 0 HD21 LEU A 50 16.598 17.218 22.958 1.00 20.00 H new ATOM 0 HD22 LEU A 50 15.089 18.101 22.627 1.00 20.00 H new ATOM 0 HD23 LEU A 50 16.425 18.911 23.478 1.00 20.00 H new ATOM 188 N ASP A 51 13.352 20.426 27.643 1.00 20.00 N ATOM 189 CA ASP A 51 12.393 21.273 28.342 1.00 20.00 C ATOM 190 C ASP A 51 13.110 22.416 29.085 1.00 20.00 C ATOM 191 O ASP A 51 13.075 22.498 30.314 1.00 20.00 O ATOM 192 CB ASP A 51 11.523 20.396 29.264 1.00 20.00 C ATOM 193 CG ASP A 51 10.306 21.144 29.818 1.00 20.00 C ATOM 194 OD1 ASP A 51 9.370 21.376 29.022 1.00 20.00 O ATOM 195 OD2 ASP A 51 10.311 21.465 31.028 1.00 20.00 O ATOM 0 H ASP A 51 13.560 19.568 28.154 1.00 20.00 H new ATOM 0 HA ASP A 51 11.728 21.758 27.627 1.00 20.00 H new ATOM 0 HB2 ASP A 51 11.185 19.520 28.711 1.00 20.00 H new ATOM 0 HB3 ASP A 51 12.131 20.035 30.094 1.00 20.00 H new ATOM 200 N ARG A 52 13.760 23.311 28.326 1.00 20.00 N ATOM 201 CA ARG A 52 14.415 24.514 28.830 1.00 20.00 C ATOM 202 C ARG A 52 14.049 25.740 27.994 1.00 20.00 C ATOM 203 O ARG A 52 13.851 25.642 26.783 1.00 20.00 O ATOM 204 CB ARG A 52 15.931 24.286 28.827 1.00 20.00 C ATOM 205 CG ARG A 52 16.727 25.306 29.649 1.00 20.00 C ATOM 206 CD ARG A 52 16.343 25.200 31.128 1.00 20.00 C ATOM 207 NE ARG A 52 17.398 25.725 31.991 1.00 20.00 N ATOM 208 CZ ARG A 52 17.322 25.878 33.320 1.00 20.00 C ATOM 209 NH1 ARG A 52 16.214 25.566 33.997 1.00 20.00 N ATOM 210 NH2 ARG A 52 18.376 26.341 33.989 1.00 20.00 N ATOM 0 H ARG A 52 13.843 23.209 27.315 1.00 20.00 H new ATOM 0 HA ARG A 52 14.073 24.708 29.847 1.00 20.00 H new ATOM 0 HB2 ARG A 52 16.137 23.287 29.212 1.00 20.00 H new ATOM 0 HB3 ARG A 52 16.288 24.310 27.797 1.00 20.00 H new ATOM 0 HG2 ARG A 52 17.796 25.128 29.528 1.00 20.00 H new ATOM 0 HG3 ARG A 52 16.528 26.314 29.284 1.00 20.00 H new ATOM 0 HD2 ARG A 52 15.418 25.749 31.306 1.00 20.00 H new ATOM 0 HD3 ARG A 52 16.148 24.158 31.381 1.00 20.00 H new ATOM 0 HE ARG A 52 18.271 26.000 31.541 1.00 20.00 H new ATOM 0 HH11 ARG A 52 15.400 25.202 33.502 1.00 20.00 H new ATOM 0 HH12 ARG A 52 16.182 25.692 35.009 1.00 20.00 H new ATOM 0 HH21 ARG A 52 19.234 26.577 33.490 1.00 20.00 H new ATOM 0 HH22 ARG A 52 18.326 26.460 35.001 1.00 20.00 H new ATOM 224 N GLN A 53 14.034 26.904 28.656 1.00 20.00 N ATOM 225 CA GLN A 53 13.770 28.234 28.110 1.00 20.00 C ATOM 226 C GLN A 53 14.907 28.814 27.242 1.00 20.00 C ATOM 227 O GLN A 53 14.977 30.028 27.050 1.00 20.00 O ATOM 228 CB GLN A 53 13.370 29.171 29.272 1.00 20.00 C ATOM 229 CG GLN A 53 14.507 29.464 30.270 1.00 20.00 C ATOM 230 CD GLN A 53 14.026 30.300 31.456 1.00 20.00 C ATOM 231 OE1 GLN A 53 13.854 29.782 32.555 1.00 20.00 O ATOM 232 NE2 GLN A 53 13.812 31.598 31.250 1.00 20.00 N ATOM 0 H GLN A 53 14.220 26.939 29.658 1.00 20.00 H new ATOM 0 HA GLN A 53 12.945 28.143 27.404 1.00 20.00 H new ATOM 0 HB2 GLN A 53 13.015 30.114 28.857 1.00 20.00 H new ATOM 0 HB3 GLN A 53 12.534 28.725 29.812 1.00 20.00 H new ATOM 0 HG2 GLN A 53 14.922 28.524 30.634 1.00 20.00 H new ATOM 0 HG3 GLN A 53 15.312 29.991 29.758 1.00 20.00 H new ATOM 0 HE21 GLN A 53 13.964 31.999 30.325 1.00 20.00 H new ATOM 0 HE22 GLN A 53 13.496 32.191 32.018 1.00 20.00 H new ATOM 241 N CYS A 54 15.795 27.962 26.717 1.00 20.00 N ATOM 242 CA CYS A 54 16.948 28.329 25.905 1.00 20.00 C ATOM 243 C CYS A 54 16.765 27.910 24.438 1.00 20.00 C ATOM 244 O CYS A 54 15.789 27.250 24.080 1.00 20.00 O ATOM 245 CB CYS A 54 18.189 27.694 26.536 1.00 20.00 C ATOM 246 SG CYS A 54 19.765 28.457 26.106 1.00 20.00 S ATOM 0 H CYS A 54 15.721 26.954 26.856 1.00 20.00 H new ATOM 0 HA CYS A 54 17.063 29.413 25.888 1.00 20.00 H new ATOM 0 HB2 CYS A 54 18.077 27.722 27.620 1.00 20.00 H new ATOM 0 HB3 CYS A 54 18.224 26.644 26.246 1.00 20.00 H new ATOM 251 N LYS A 55 17.728 28.296 23.593 1.00 20.00 N ATOM 252 CA LYS A 55 17.814 27.961 22.171 1.00 20.00 C ATOM 253 C LYS A 55 18.030 26.450 21.983 1.00 20.00 C ATOM 254 O LYS A 55 18.489 25.771 22.899 1.00 20.00 O ATOM 255 CB LYS A 55 18.951 28.799 21.555 1.00 20.00 C ATOM 256 CG LYS A 55 19.027 28.695 20.024 1.00 20.00 C ATOM 257 CD LYS A 55 20.023 29.681 19.396 1.00 20.00 C ATOM 258 CE LYS A 55 19.603 31.151 19.522 1.00 20.00 C ATOM 259 NZ LYS A 55 18.336 31.429 18.831 1.00 20.00 N ATOM 0 H LYS A 55 18.506 28.880 23.900 1.00 20.00 H new ATOM 0 HA LYS A 55 16.882 28.200 21.659 1.00 20.00 H new ATOM 0 HB2 LYS A 55 18.814 29.844 21.834 1.00 20.00 H new ATOM 0 HB3 LYS A 55 19.901 28.477 21.981 1.00 20.00 H new ATOM 0 HG2 LYS A 55 19.311 27.679 19.750 1.00 20.00 H new ATOM 0 HG3 LYS A 55 18.037 28.874 19.605 1.00 20.00 H new ATOM 0 HD2 LYS A 55 20.997 29.549 19.868 1.00 20.00 H new ATOM 0 HD3 LYS A 55 20.145 29.437 18.341 1.00 20.00 H new ATOM 0 HE2 LYS A 55 19.504 31.409 20.576 1.00 20.00 H new ATOM 0 HE3 LYS A 55 20.386 31.787 19.110 1.00 20.00 H new ATOM 0 HZ1 LYS A 55 18.177 32.456 18.797 1.00 20.00 H new ATOM 0 HZ2 LYS A 55 18.379 31.053 17.862 1.00 20.00 H new ATOM 0 HZ3 LYS A 55 17.554 30.975 19.344 1.00 20.00 H new ATOM 273 N GLU A 56 17.726 25.934 20.785 1.00 20.00 N ATOM 274 CA GLU A 56 17.992 24.566 20.350 1.00 20.00 C ATOM 275 C GLU A 56 18.453 24.580 18.889 1.00 20.00 C ATOM 276 O GLU A 56 17.682 24.914 17.989 1.00 20.00 O ATOM 277 CB GLU A 56 16.742 23.695 20.555 1.00 20.00 C ATOM 278 CG GLU A 56 16.929 22.269 20.011 1.00 20.00 C ATOM 279 CD GLU A 56 15.716 21.393 20.303 1.00 20.00 C ATOM 280 OE1 GLU A 56 15.835 20.506 21.175 1.00 20.00 O ATOM 281 OE2 GLU A 56 14.676 21.616 19.645 1.00 20.00 O ATOM 0 H GLU A 56 17.267 26.489 20.063 1.00 20.00 H new ATOM 0 HA GLU A 56 18.790 24.130 20.950 1.00 20.00 H new ATOM 0 HB2 GLU A 56 16.505 23.648 21.618 1.00 20.00 H new ATOM 0 HB3 GLU A 56 15.891 24.162 20.059 1.00 20.00 H new ATOM 0 HG2 GLU A 56 17.099 22.309 18.935 1.00 20.00 H new ATOM 0 HG3 GLU A 56 17.817 21.822 20.458 1.00 20.00 H new ATOM 288 N LEU A 57 19.716 24.197 18.668 1.00 20.00 N ATOM 289 CA LEU A 57 20.333 24.023 17.354 1.00 20.00 C ATOM 290 C LEU A 57 19.807 22.752 16.659 1.00 20.00 C ATOM 291 O LEU A 57 19.037 21.992 17.246 1.00 20.00 O ATOM 292 CB LEU A 57 21.866 23.972 17.521 1.00 20.00 C ATOM 293 CG LEU A 57 22.576 25.316 17.796 1.00 20.00 C ATOM 294 CD1 LEU A 57 22.416 26.322 16.647 1.00 20.00 C ATOM 295 CD2 LEU A 57 22.180 25.986 19.120 1.00 20.00 C ATOM 0 H LEU A 57 20.359 23.992 19.433 1.00 20.00 H new ATOM 0 HA LEU A 57 20.070 24.868 16.718 1.00 20.00 H new ATOM 0 HB2 LEU A 57 22.097 23.291 18.340 1.00 20.00 H new ATOM 0 HB3 LEU A 57 22.293 23.540 16.616 1.00 20.00 H new ATOM 0 HG LEU A 57 23.626 25.033 17.878 1.00 20.00 H new ATOM 0 HD11 LEU A 57 22.936 27.247 16.898 1.00 20.00 H new ATOM 0 HD12 LEU A 57 22.841 25.903 15.735 1.00 20.00 H new ATOM 0 HD13 LEU A 57 21.358 26.532 16.492 1.00 20.00 H new ATOM 0 HD21 LEU A 57 22.726 26.923 19.231 1.00 20.00 H new ATOM 0 HD22 LEU A 57 21.109 26.188 19.119 1.00 20.00 H new ATOM 0 HD23 LEU A 57 22.424 25.323 19.950 1.00 20.00 H new ATOM 307 N GLN A 58 20.227 22.519 15.405 1.00 20.00 N ATOM 308 CA GLN A 58 19.762 21.408 14.567 1.00 20.00 C ATOM 309 C GLN A 58 20.863 20.414 14.186 1.00 20.00 C ATOM 310 O GLN A 58 20.561 19.261 13.883 1.00 20.00 O ATOM 311 CB GLN A 58 19.039 21.974 13.334 1.00 20.00 C ATOM 312 CG GLN A 58 19.938 22.722 12.335 1.00 20.00 C ATOM 313 CD GLN A 58 19.135 23.299 11.167 1.00 20.00 C ATOM 314 OE1 GLN A 58 18.194 24.065 11.363 1.00 20.00 O ATOM 315 NE2 GLN A 58 19.507 22.952 9.936 1.00 20.00 N ATOM 0 H GLN A 58 20.914 23.112 14.938 1.00 20.00 H new ATOM 0 HA GLN A 58 19.063 20.819 15.160 1.00 20.00 H new ATOM 0 HB2 GLN A 58 18.547 21.153 12.812 1.00 20.00 H new ATOM 0 HB3 GLN A 58 18.255 22.652 13.671 1.00 20.00 H new ATOM 0 HG2 GLN A 58 20.461 23.528 12.850 1.00 20.00 H new ATOM 0 HG3 GLN A 58 20.699 22.042 11.952 1.00 20.00 H new ATOM 0 HE21 GLN A 58 20.292 22.314 9.801 1.00 20.00 H new ATOM 0 HE22 GLN A 58 19.007 23.324 9.128 1.00 20.00 H new ATOM 324 N ALA A 59 22.126 20.844 14.243 1.00 20.00 N ATOM 325 CA ALA A 59 23.312 20.023 13.988 1.00 20.00 C ATOM 326 C ALA A 59 24.175 19.811 15.241 1.00 20.00 C ATOM 327 O ALA A 59 25.005 18.904 15.251 1.00 20.00 O ATOM 328 CB ALA A 59 24.131 20.651 12.859 1.00 20.00 C ATOM 0 H ALA A 59 22.359 21.809 14.477 1.00 20.00 H new ATOM 0 HA ALA A 59 22.970 19.032 13.689 1.00 20.00 H new ATOM 0 HB1 ALA A 59 25.014 20.041 12.668 1.00 20.00 H new ATOM 0 HB2 ALA A 59 23.524 20.704 11.955 1.00 20.00 H new ATOM 0 HB3 ALA A 59 24.439 21.656 13.148 1.00 20.00 H new ATOM 334 N GLU A 60 23.969 20.611 16.299 1.00 20.00 N ATOM 335 CA GLU A 60 24.766 20.615 17.524 1.00 20.00 C ATOM 336 C GLU A 60 23.946 20.270 18.770 1.00 20.00 C ATOM 337 O GLU A 60 24.521 20.079 19.837 1.00 20.00 O ATOM 338 CB GLU A 60 25.448 21.984 17.653 1.00 20.00 C ATOM 339 CG GLU A 60 26.503 22.203 16.554 1.00 20.00 C ATOM 340 CD GLU A 60 27.208 23.548 16.715 1.00 20.00 C ATOM 341 OE1 GLU A 60 28.465 23.520 16.882 1.00 20.00 O ATOM 342 OE2 GLU A 60 26.526 24.573 16.636 1.00 20.00 O ATOM 0 H GLU A 60 23.214 21.296 16.320 1.00 20.00 H new ATOM 0 HA GLU A 60 25.519 19.830 17.453 1.00 20.00 H new ATOM 0 HB2 GLU A 60 24.696 22.771 17.597 1.00 20.00 H new ATOM 0 HB3 GLU A 60 25.921 22.064 18.632 1.00 20.00 H new ATOM 0 HG2 GLU A 60 27.238 21.399 16.589 1.00 20.00 H new ATOM 0 HG3 GLU A 60 26.026 22.156 15.575 1.00 20.00 H new ATOM 349 N SER A 61 22.618 20.131 18.646 1.00 20.00 N ATOM 350 CA SER A 61 21.770 19.538 19.682 1.00 20.00 C ATOM 351 C SER A 61 22.101 18.049 19.868 1.00 20.00 C ATOM 352 O SER A 61 22.251 17.596 21.002 1.00 20.00 O ATOM 353 CB SER A 61 20.290 19.745 19.333 1.00 20.00 C ATOM 354 OG SER A 61 19.979 19.212 18.054 1.00 20.00 O ATOM 0 H SER A 61 22.102 20.430 17.818 1.00 20.00 H new ATOM 0 HA SER A 61 21.968 20.038 20.630 1.00 20.00 H new ATOM 0 HB2 SER A 61 19.666 19.268 20.089 1.00 20.00 H new ATOM 0 HB3 SER A 61 20.056 20.809 19.352 1.00 20.00 H new ATOM 0 HG SER A 61 19.628 19.924 17.480 1.00 20.00 H new ATOM 360 N ALA A 62 22.249 17.305 18.760 1.00 20.00 N ATOM 361 CA ALA A 62 22.610 15.891 18.739 1.00 20.00 C ATOM 362 C ALA A 62 24.074 15.621 19.127 1.00 20.00 C ATOM 363 O ALA A 62 24.409 14.473 19.420 1.00 20.00 O ATOM 364 CB ALA A 62 22.320 15.343 17.342 1.00 20.00 C ATOM 0 H ALA A 62 22.114 17.691 17.826 1.00 20.00 H new ATOM 0 HA ALA A 62 22.010 15.384 19.494 1.00 20.00 H new ATOM 0 HB1 ALA A 62 22.583 14.286 17.304 1.00 20.00 H new ATOM 0 HB2 ALA A 62 21.260 15.462 17.117 1.00 20.00 H new ATOM 0 HB3 ALA A 62 22.910 15.890 16.607 1.00 20.00 H new ATOM 370 N SER A 63 24.935 16.652 19.160 1.00 20.00 N ATOM 371 CA SER A 63 26.324 16.544 19.611 1.00 20.00 C ATOM 372 C SER A 63 26.414 16.268 21.121 1.00 20.00 C ATOM 373 O SER A 63 27.309 15.542 21.553 1.00 20.00 O ATOM 374 CB SER A 63 27.077 17.829 19.246 1.00 20.00 C ATOM 375 OG SER A 63 28.453 17.696 19.531 1.00 20.00 O ATOM 0 H SER A 63 24.678 17.595 18.869 1.00 20.00 H new ATOM 0 HA SER A 63 26.786 15.696 19.106 1.00 20.00 H new ATOM 0 HB2 SER A 63 26.939 18.050 18.188 1.00 20.00 H new ATOM 0 HB3 SER A 63 26.664 18.670 19.803 1.00 20.00 H new ATOM 0 HG SER A 63 28.918 18.524 19.291 1.00 20.00 H new ATOM 381 N CYS A 64 25.467 16.794 21.912 1.00 20.00 N ATOM 382 CA CYS A 64 25.296 16.458 23.326 1.00 20.00 C ATOM 383 C CYS A 64 24.784 15.028 23.526 1.00 20.00 C ATOM 384 O CYS A 64 25.197 14.365 24.476 1.00 20.00 O ATOM 385 CB CYS A 64 24.317 17.449 23.956 1.00 20.00 C ATOM 386 SG CYS A 64 25.047 19.055 24.330 1.00 20.00 S ATOM 0 H CYS A 64 24.788 17.477 21.577 1.00 20.00 H new ATOM 0 HA CYS A 64 26.272 16.521 23.808 1.00 20.00 H new ATOM 0 HB2 CYS A 64 23.474 17.592 23.280 1.00 20.00 H new ATOM 0 HB3 CYS A 64 23.919 17.018 24.875 1.00 20.00 H new ATOM 391 N GLY A 65 23.911 14.554 22.628 1.00 20.00 N ATOM 392 CA GLY A 65 23.355 13.209 22.629 1.00 20.00 C ATOM 393 C GLY A 65 21.836 13.213 22.464 1.00 20.00 C ATOM 394 O GLY A 65 21.192 14.264 22.455 1.00 20.00 O ATOM 0 H GLY A 65 23.564 15.123 21.856 1.00 20.00 H new ATOM 0 HA2 GLY A 65 23.805 12.631 21.822 1.00 20.00 H new ATOM 0 HA3 GLY A 65 23.616 12.710 23.562 1.00 20.00 H new ATOM 398 N LYS A 66 21.272 12.004 22.349 1.00 20.00 N ATOM 399 CA LYS A 66 19.840 11.755 22.254 1.00 20.00 C ATOM 400 C LYS A 66 19.193 12.023 23.620 1.00 20.00 C ATOM 401 O LYS A 66 19.388 11.250 24.559 1.00 20.00 O ATOM 402 CB LYS A 66 19.610 10.309 21.770 1.00 20.00 C ATOM 403 CG LYS A 66 18.180 10.066 21.259 1.00 20.00 C ATOM 404 CD LYS A 66 18.006 10.566 19.815 1.00 20.00 C ATOM 405 CE LYS A 66 16.591 10.330 19.286 1.00 20.00 C ATOM 406 NZ LYS A 66 15.623 11.273 19.866 1.00 20.00 N ATOM 0 H LYS A 66 21.825 11.147 22.319 1.00 20.00 H new ATOM 0 HA LYS A 66 19.374 12.424 21.530 1.00 20.00 H new ATOM 0 HB2 LYS A 66 20.318 10.082 20.973 1.00 20.00 H new ATOM 0 HB3 LYS A 66 19.819 9.620 22.588 1.00 20.00 H new ATOM 0 HG2 LYS A 66 17.951 9.001 21.307 1.00 20.00 H new ATOM 0 HG3 LYS A 66 17.468 10.574 21.910 1.00 20.00 H new ATOM 0 HD2 LYS A 66 18.235 11.631 19.771 1.00 20.00 H new ATOM 0 HD3 LYS A 66 18.722 10.059 19.169 1.00 20.00 H new ATOM 0 HE2 LYS A 66 16.588 10.429 18.201 1.00 20.00 H new ATOM 0 HE3 LYS A 66 16.284 9.309 19.514 1.00 20.00 H new ATOM 0 HZ1 LYS A 66 14.676 11.079 19.481 1.00 20.00 H new ATOM 0 HZ2 LYS A 66 15.606 11.161 20.900 1.00 20.00 H new ATOM 0 HZ3 LYS A 66 15.901 12.246 19.627 1.00 20.00 H new ATOM 420 N GLY A 67 18.451 13.133 23.730 1.00 20.00 N ATOM 421 CA GLY A 67 17.775 13.571 24.950 1.00 20.00 C ATOM 422 C GLY A 67 18.297 14.895 25.523 1.00 20.00 C ATOM 423 O GLY A 67 17.811 15.312 26.573 1.00 20.00 O ATOM 0 H GLY A 67 18.302 13.768 22.946 1.00 20.00 H new ATOM 0 HA2 GLY A 67 16.710 13.673 24.744 1.00 20.00 H new ATOM 0 HA3 GLY A 67 17.880 12.795 25.708 1.00 20.00 H new ATOM 427 N GLN A 68 19.265 15.551 24.865 1.00 20.00 N ATOM 428 CA GLN A 68 19.834 16.840 25.269 1.00 20.00 C ATOM 429 C GLN A 68 19.938 17.782 24.062 1.00 20.00 C ATOM 430 O GLN A 68 19.771 17.361 22.916 1.00 20.00 O ATOM 431 CB GLN A 68 21.226 16.643 25.895 1.00 20.00 C ATOM 432 CG GLN A 68 21.242 15.756 27.147 1.00 20.00 C ATOM 433 CD GLN A 68 22.650 15.660 27.732 1.00 20.00 C ATOM 434 OE1 GLN A 68 23.572 15.181 27.077 1.00 20.00 O ATOM 435 NE2 GLN A 68 22.836 16.112 28.970 1.00 20.00 N ATOM 0 H GLN A 68 19.685 15.185 24.010 1.00 20.00 H new ATOM 0 HA GLN A 68 19.172 17.286 26.012 1.00 20.00 H new ATOM 0 HB2 GLN A 68 21.888 16.206 25.147 1.00 20.00 H new ATOM 0 HB3 GLN A 68 21.636 17.620 26.152 1.00 20.00 H new ATOM 0 HG2 GLN A 68 20.561 16.163 27.894 1.00 20.00 H new ATOM 0 HG3 GLN A 68 20.880 14.759 26.895 1.00 20.00 H new ATOM 0 HE21 GLN A 68 22.053 16.505 29.492 1.00 20.00 H new ATOM 0 HE22 GLN A 68 23.761 16.065 29.396 1.00 20.00 H new ATOM 444 N LYS A 69 20.240 19.061 24.327 1.00 20.00 N ATOM 445 CA LYS A 69 20.472 20.082 23.307 1.00 20.00 C ATOM 446 C LYS A 69 21.433 21.175 23.791 1.00 20.00 C ATOM 447 O LYS A 69 21.588 21.385 24.994 1.00 20.00 O ATOM 448 CB LYS A 69 19.126 20.644 22.807 1.00 20.00 C ATOM 449 CG LYS A 69 18.125 21.146 23.866 1.00 20.00 C ATOM 450 CD LYS A 69 18.261 22.635 24.200 1.00 20.00 C ATOM 451 CE LYS A 69 17.089 23.053 25.092 1.00 20.00 C ATOM 452 NZ LYS A 69 16.809 24.495 25.013 1.00 20.00 N ATOM 0 H LYS A 69 20.331 19.418 25.278 1.00 20.00 H new ATOM 0 HA LYS A 69 20.971 19.615 22.458 1.00 20.00 H new ATOM 0 HB2 LYS A 69 19.338 21.469 22.127 1.00 20.00 H new ATOM 0 HB3 LYS A 69 18.634 19.867 22.221 1.00 20.00 H new ATOM 0 HG2 LYS A 69 17.112 20.955 23.512 1.00 20.00 H new ATOM 0 HG3 LYS A 69 18.258 20.566 24.779 1.00 20.00 H new ATOM 0 HD2 LYS A 69 19.207 22.822 24.708 1.00 20.00 H new ATOM 0 HD3 LYS A 69 18.268 23.227 23.285 1.00 20.00 H new ATOM 0 HE2 LYS A 69 16.198 22.496 24.801 1.00 20.00 H new ATOM 0 HE3 LYS A 69 17.309 22.785 26.125 1.00 20.00 H new ATOM 0 HZ1 LYS A 69 17.012 24.939 25.931 1.00 20.00 H new ATOM 0 HZ2 LYS A 69 17.409 24.925 24.280 1.00 20.00 H new ATOM 0 HZ3 LYS A 69 15.808 24.642 24.771 1.00 20.00 H new ATOM 466 N CYS A 70 22.062 21.879 22.837 1.00 20.00 N ATOM 467 CA CYS A 70 22.962 23.004 23.098 1.00 20.00 C ATOM 468 C CYS A 70 22.146 24.247 23.482 1.00 20.00 C ATOM 469 O CYS A 70 21.006 24.397 23.044 1.00 20.00 O ATOM 470 CB CYS A 70 23.810 23.257 21.841 1.00 20.00 C ATOM 471 SG CYS A 70 24.830 24.762 21.850 1.00 20.00 S ATOM 0 H CYS A 70 21.954 21.675 21.843 1.00 20.00 H new ATOM 0 HA CYS A 70 23.626 22.774 23.931 1.00 20.00 H new ATOM 0 HB2 CYS A 70 24.466 22.399 21.692 1.00 20.00 H new ATOM 0 HB3 CYS A 70 23.142 23.301 20.980 1.00 20.00 H new ATOM 0 HG CYS A 70 25.490 24.845 20.733 1.00 20.00 H new ATOM 476 N CYS A 71 22.747 25.141 24.280 1.00 20.00 N ATOM 477 CA CYS A 71 22.128 26.350 24.811 1.00 20.00 C ATOM 478 C CYS A 71 23.139 27.503 24.846 1.00 20.00 C ATOM 479 O CYS A 71 24.269 27.333 25.303 1.00 20.00 O ATOM 480 CB CYS A 71 21.608 26.026 26.216 1.00 20.00 C ATOM 481 SG CYS A 71 21.092 27.421 27.247 1.00 20.00 S ATOM 0 H CYS A 71 23.715 25.032 24.581 1.00 20.00 H new ATOM 0 HA CYS A 71 21.304 26.670 24.174 1.00 20.00 H new ATOM 0 HB2 CYS A 71 20.760 25.349 26.115 1.00 20.00 H new ATOM 0 HB3 CYS A 71 22.389 25.483 26.748 1.00 20.00 H new