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 Set 1.1: A 61 SER OG : rot -37:sc= 0.325 USER MOD Set 1.2: A 68 GLN : amide:sc= -1.11 K(o=-0.79,f=-2.5) USER MOD Single : A 48 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 53 GLN : amide:sc= -0.224 X(o=-0.22,f=-0.22) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 GLN : amide:sc= 0 X(o=0,f=-0.12) USER MOD Single : A 63 SER OG : rot -46:sc= 0.0969 USER MOD Single : A 66 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0274) USER MOD Single : A 69 LYS NZ :NH3+ -149:sc= 0.317 (180deg=0.0515) USER MOD Single : A 70 CYS SG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 116 N GLU A 46 26.630 23.480 26.062 1.00 20.00 N ATOM 117 CA GLU A 46 26.136 22.565 27.090 1.00 20.00 C ATOM 118 C GLU A 46 24.838 21.899 26.617 1.00 20.00 C ATOM 119 O GLU A 46 24.232 22.315 25.629 1.00 20.00 O ATOM 120 CB GLU A 46 25.932 23.303 28.427 1.00 20.00 C ATOM 121 CG GLU A 46 27.257 23.741 29.067 1.00 20.00 C ATOM 122 CD GLU A 46 27.043 24.274 30.482 1.00 20.00 C ATOM 123 OE1 GLU A 46 26.636 25.451 30.597 1.00 20.00 O ATOM 124 OE2 GLU A 46 27.267 23.497 31.437 1.00 20.00 O ATOM 0 HA GLU A 46 26.880 21.786 27.257 1.00 20.00 H new ATOM 0 HB2 GLU A 46 25.305 24.179 28.262 1.00 20.00 H new ATOM 0 HB3 GLU A 46 25.396 22.653 29.119 1.00 20.00 H new ATOM 0 HG2 GLU A 46 27.946 22.897 29.095 1.00 20.00 H new ATOM 0 HG3 GLU A 46 27.722 24.512 28.453 1.00 20.00 H new ATOM 131 N CYS A 47 24.423 20.855 27.345 1.00 20.00 N ATOM 132 CA CYS A 47 23.321 19.969 26.989 1.00 20.00 C ATOM 133 C CYS A 47 22.260 19.994 28.094 1.00 20.00 C ATOM 134 O CYS A 47 22.036 19.003 28.792 1.00 20.00 O ATOM 135 CB CYS A 47 23.884 18.566 26.718 1.00 20.00 C ATOM 136 SG CYS A 47 25.110 18.466 25.380 1.00 20.00 S ATOM 0 H CYS A 47 24.865 20.600 28.228 1.00 20.00 H new ATOM 0 HA CYS A 47 22.825 20.303 26.078 1.00 20.00 H new ATOM 0 HB2 CYS A 47 24.340 18.192 27.635 1.00 20.00 H new ATOM 0 HB3 CYS A 47 23.055 17.900 26.479 1.00 20.00 H new ATOM 141 N ASN A 48 21.621 21.160 28.256 1.00 20.00 N ATOM 142 CA ASN A 48 20.560 21.402 29.229 1.00 20.00 C ATOM 143 C ASN A 48 19.253 20.706 28.808 1.00 20.00 C ATOM 144 O ASN A 48 19.036 20.488 27.615 1.00 20.00 O ATOM 145 CB ASN A 48 20.334 22.921 29.363 1.00 20.00 C ATOM 146 CG ASN A 48 21.408 23.582 30.226 1.00 20.00 C ATOM 147 OD1 ASN A 48 21.209 23.769 31.423 1.00 20.00 O ATOM 148 ND2 ASN A 48 22.556 23.923 29.640 1.00 20.00 N ATOM 0 H ASN A 48 21.838 21.983 27.694 1.00 20.00 H new ATOM 0 HA ASN A 48 20.863 20.988 30.191 1.00 20.00 H new ATOM 0 HB2 ASN A 48 20.332 23.377 28.373 1.00 20.00 H new ATOM 0 HB3 ASN A 48 19.353 23.105 29.800 1.00 20.00 H new ATOM 0 HD21 ASN A 48 23.301 24.353 30.189 1.00 20.00 H new ATOM 0 HD22 ASN A 48 22.690 23.754 28.643 1.00 20.00 H new ATOM 155 N PRO A 49 18.349 20.406 29.764 1.00 20.00 N ATOM 156 CA PRO A 49 17.022 19.874 29.473 1.00 20.00 C ATOM 157 C PRO A 49 16.127 20.963 28.872 1.00 20.00 C ATOM 158 O PRO A 49 16.346 22.152 29.099 1.00 20.00 O ATOM 159 CB PRO A 49 16.487 19.388 30.825 1.00 20.00 C ATOM 160 CG PRO A 49 17.147 20.334 31.829 1.00 20.00 C ATOM 161 CD PRO A 49 18.513 20.605 31.199 1.00 20.00 C ATOM 0 HA PRO A 49 17.047 19.068 28.740 1.00 20.00 H new ATOM 0 HB2 PRO A 49 15.400 19.448 30.872 1.00 20.00 H new ATOM 0 HB3 PRO A 49 16.758 18.349 31.014 1.00 20.00 H new ATOM 0 HG2 PRO A 49 16.572 21.251 31.957 1.00 20.00 H new ATOM 0 HG3 PRO A 49 17.240 19.876 32.814 1.00 20.00 H new ATOM 0 HD2 PRO A 49 18.846 21.620 31.415 1.00 20.00 H new ATOM 0 HD3 PRO A 49 19.268 19.929 31.601 1.00 20.00 H new ATOM 169 N LEU A 50 15.090 20.545 28.138 1.00 20.00 N ATOM 170 CA LEU A 50 14.113 21.427 27.495 1.00 20.00 C ATOM 171 C LEU A 50 13.340 22.272 28.512 1.00 20.00 C ATOM 172 O LEU A 50 13.022 23.427 28.231 1.00 20.00 O ATOM 173 CB LEU A 50 13.122 20.569 26.699 1.00 20.00 C ATOM 174 CG LEU A 50 13.778 19.824 25.521 1.00 20.00 C ATOM 175 CD1 LEU A 50 12.894 18.634 25.142 1.00 20.00 C ATOM 176 CD2 LEU A 50 13.990 20.769 24.335 1.00 20.00 C ATOM 0 H LEU A 50 14.903 19.556 27.971 1.00 20.00 H new ATOM 0 HA LEU A 50 14.655 22.110 26.841 1.00 20.00 H new ATOM 0 HB2 LEU A 50 12.660 19.843 27.368 1.00 20.00 H new ATOM 0 HB3 LEU A 50 12.323 21.206 26.319 1.00 20.00 H new ATOM 0 HG LEU A 50 14.762 19.457 25.814 1.00 20.00 H new ATOM 0 HD11 LEU A 50 13.346 18.096 24.308 1.00 20.00 H new ATOM 0 HD12 LEU A 50 12.799 17.965 25.997 1.00 20.00 H new ATOM 0 HD13 LEU A 50 11.907 18.992 24.850 1.00 20.00 H new ATOM 0 HD21 LEU A 50 14.454 20.223 23.514 1.00 20.00 H new ATOM 0 HD22 LEU A 50 13.028 21.166 24.009 1.00 20.00 H new ATOM 0 HD23 LEU A 50 14.638 21.592 24.637 1.00 20.00 H new ATOM 188 N ASP A 51 13.074 21.697 29.693 1.00 20.00 N ATOM 189 CA ASP A 51 12.397 22.350 30.815 1.00 20.00 C ATOM 190 C ASP A 51 13.157 23.560 31.389 1.00 20.00 C ATOM 191 O ASP A 51 12.559 24.341 32.129 1.00 20.00 O ATOM 192 CB ASP A 51 12.139 21.320 31.924 1.00 20.00 C ATOM 193 CG ASP A 51 11.265 20.158 31.450 1.00 20.00 C ATOM 194 OD1 ASP A 51 11.803 19.033 31.364 1.00 20.00 O ATOM 195 OD2 ASP A 51 10.072 20.406 31.165 1.00 20.00 O ATOM 0 H ASP A 51 13.334 20.732 29.897 1.00 20.00 H new ATOM 0 HA ASP A 51 11.459 22.744 30.424 1.00 20.00 H new ATOM 0 HB2 ASP A 51 13.092 20.931 32.283 1.00 20.00 H new ATOM 0 HB3 ASP A 51 11.657 21.813 32.768 1.00 20.00 H new ATOM 200 N ARG A 52 14.441 23.745 31.041 1.00 20.00 N ATOM 201 CA ARG A 52 15.231 24.919 31.403 1.00 20.00 C ATOM 202 C ARG A 52 14.679 26.165 30.702 1.00 20.00 C ATOM 203 O ARG A 52 14.432 26.135 29.494 1.00 20.00 O ATOM 204 CB ARG A 52 16.694 24.680 30.991 1.00 20.00 C ATOM 205 CG ARG A 52 17.678 25.709 31.550 1.00 20.00 C ATOM 206 CD ARG A 52 17.834 25.527 33.064 1.00 20.00 C ATOM 207 NE ARG A 52 19.102 26.086 33.539 1.00 20.00 N ATOM 208 CZ ARG A 52 19.361 27.371 33.821 1.00 20.00 C ATOM 209 NH1 ARG A 52 18.419 28.314 33.743 1.00 20.00 N ATOM 210 NH2 ARG A 52 20.593 27.721 34.185 1.00 20.00 N ATOM 0 H ARG A 52 14.964 23.065 30.489 1.00 20.00 H new ATOM 0 HA ARG A 52 15.176 25.081 32.480 1.00 20.00 H new ATOM 0 HB2 ARG A 52 16.996 23.687 31.324 1.00 20.00 H new ATOM 0 HB3 ARG A 52 16.759 24.685 29.903 1.00 20.00 H new ATOM 0 HG2 ARG A 52 18.646 25.599 31.062 1.00 20.00 H new ATOM 0 HG3 ARG A 52 17.324 26.717 31.332 1.00 20.00 H new ATOM 0 HD2 ARG A 52 17.005 26.013 33.578 1.00 20.00 H new ATOM 0 HD3 ARG A 52 17.786 24.467 33.312 1.00 20.00 H new ATOM 0 HE ARG A 52 19.870 25.427 33.669 1.00 20.00 H new ATOM 0 HH11 ARG A 52 17.470 28.065 33.462 1.00 20.00 H new ATOM 0 HH12 ARG A 52 18.648 29.283 33.964 1.00 20.00 H new ATOM 0 HH21 ARG A 52 21.327 27.015 34.247 1.00 20.00 H new ATOM 0 HH22 ARG A 52 20.803 28.695 34.402 1.00 20.00 H new ATOM 224 N GLN A 53 14.540 27.267 31.457 1.00 20.00 N ATOM 225 CA GLN A 53 14.234 28.593 30.923 1.00 20.00 C ATOM 226 C GLN A 53 15.468 29.158 30.212 1.00 20.00 C ATOM 227 O GLN A 53 16.281 29.866 30.808 1.00 20.00 O ATOM 228 CB GLN A 53 13.729 29.539 32.029 1.00 20.00 C ATOM 229 CG GLN A 53 12.280 29.244 32.447 1.00 20.00 C ATOM 230 CD GLN A 53 11.281 29.597 31.340 1.00 20.00 C ATOM 231 OE1 GLN A 53 11.197 30.748 30.916 1.00 20.00 O ATOM 232 NE2 GLN A 53 10.516 28.620 30.857 1.00 20.00 N ATOM 0 H GLN A 53 14.640 27.255 32.472 1.00 20.00 H new ATOM 0 HA GLN A 53 13.427 28.504 30.196 1.00 20.00 H new ATOM 0 HB2 GLN A 53 14.379 29.452 32.900 1.00 20.00 H new ATOM 0 HB3 GLN A 53 13.799 30.569 31.680 1.00 20.00 H new ATOM 0 HG2 GLN A 53 12.183 28.188 32.700 1.00 20.00 H new ATOM 0 HG3 GLN A 53 12.040 29.810 33.347 1.00 20.00 H new ATOM 0 HE21 GLN A 53 10.605 27.673 31.226 1.00 20.00 H new ATOM 0 HE22 GLN A 53 9.841 28.818 30.118 1.00 20.00 H new ATOM 241 N CYS A 54 15.598 28.806 28.928 1.00 20.00 N ATOM 242 CA CYS A 54 16.654 29.243 28.028 1.00 20.00 C ATOM 243 C CYS A 54 16.199 29.095 26.569 1.00 20.00 C ATOM 244 O CYS A 54 15.136 28.538 26.282 1.00 20.00 O ATOM 245 CB CYS A 54 17.922 28.421 28.312 1.00 20.00 C ATOM 246 SG CYS A 54 19.455 29.146 27.688 1.00 20.00 S ATOM 0 H CYS A 54 14.935 28.179 28.473 1.00 20.00 H new ATOM 0 HA CYS A 54 16.878 30.297 28.194 1.00 20.00 H new ATOM 0 HB2 CYS A 54 18.014 28.284 29.389 1.00 20.00 H new ATOM 0 HB3 CYS A 54 17.801 27.430 27.874 1.00 20.00 H new ATOM 251 N LYS A 55 17.033 29.584 25.645 1.00 20.00 N ATOM 252 CA LYS A 55 16.836 29.476 24.200 1.00 20.00 C ATOM 253 C LYS A 55 17.043 28.027 23.717 1.00 20.00 C ATOM 254 O LYS A 55 17.437 27.149 24.487 1.00 20.00 O ATOM 255 CB LYS A 55 17.783 30.464 23.489 1.00 20.00 C ATOM 256 CG LYS A 55 17.253 31.067 22.175 1.00 20.00 C ATOM 257 CD LYS A 55 16.036 31.985 22.388 1.00 20.00 C ATOM 258 CE LYS A 55 15.676 32.779 21.130 1.00 20.00 C ATOM 259 NZ LYS A 55 15.204 31.923 20.027 1.00 20.00 N ATOM 0 H LYS A 55 17.889 30.081 25.892 1.00 20.00 H new ATOM 0 HA LYS A 55 15.808 29.739 23.951 1.00 20.00 H new ATOM 0 HB2 LYS A 55 18.010 31.279 24.176 1.00 20.00 H new ATOM 0 HB3 LYS A 55 18.722 29.952 23.280 1.00 20.00 H new ATOM 0 HG2 LYS A 55 18.050 31.634 21.693 1.00 20.00 H new ATOM 0 HG3 LYS A 55 16.979 30.260 21.495 1.00 20.00 H new ATOM 0 HD2 LYS A 55 15.179 31.383 22.692 1.00 20.00 H new ATOM 0 HD3 LYS A 55 16.245 32.677 23.204 1.00 20.00 H new ATOM 0 HE2 LYS A 55 14.902 33.507 21.375 1.00 20.00 H new ATOM 0 HE3 LYS A 55 16.549 33.341 20.799 1.00 20.00 H new ATOM 0 HZ1 LYS A 55 14.975 32.514 19.202 1.00 20.00 H new ATOM 0 HZ2 LYS A 55 15.949 31.245 19.771 1.00 20.00 H new ATOM 0 HZ3 LYS A 55 14.354 31.405 20.329 1.00 20.00 H new ATOM 273 N GLU A 56 16.776 27.792 22.427 1.00 20.00 N ATOM 274 CA GLU A 56 16.905 26.510 21.743 1.00 20.00 C ATOM 275 C GLU A 56 17.488 26.727 20.337 1.00 20.00 C ATOM 276 O GLU A 56 17.304 27.786 19.735 1.00 20.00 O ATOM 277 CB GLU A 56 15.516 25.847 21.714 1.00 20.00 C ATOM 278 CG GLU A 56 15.470 24.495 20.990 1.00 20.00 C ATOM 279 CD GLU A 56 14.139 23.783 21.232 1.00 20.00 C ATOM 280 OE1 GLU A 56 13.309 23.773 20.296 1.00 20.00 O ATOM 281 OE2 GLU A 56 13.951 23.274 22.357 1.00 20.00 O ATOM 0 H GLU A 56 16.448 28.531 21.805 1.00 20.00 H new ATOM 0 HA GLU A 56 17.594 25.846 22.266 1.00 20.00 H new ATOM 0 HB2 GLU A 56 15.173 25.707 22.739 1.00 20.00 H new ATOM 0 HB3 GLU A 56 14.813 26.527 21.232 1.00 20.00 H new ATOM 0 HG2 GLU A 56 15.615 24.647 19.920 1.00 20.00 H new ATOM 0 HG3 GLU A 56 16.290 23.866 21.336 1.00 20.00 H new ATOM 288 N LEU A 57 18.174 25.699 19.819 1.00 20.00 N ATOM 289 CA LEU A 57 18.782 25.645 18.488 1.00 20.00 C ATOM 290 C LEU A 57 18.314 24.381 17.755 1.00 20.00 C ATOM 291 O LEU A 57 17.448 23.654 18.242 1.00 20.00 O ATOM 292 CB LEU A 57 20.325 25.731 18.613 1.00 20.00 C ATOM 293 CG LEU A 57 20.838 27.089 19.130 1.00 20.00 C ATOM 294 CD1 LEU A 57 22.350 27.071 19.346 1.00 20.00 C ATOM 295 CD2 LEU A 57 20.503 28.264 18.188 1.00 20.00 C ATOM 0 H LEU A 57 18.326 24.839 20.347 1.00 20.00 H new ATOM 0 HA LEU A 57 18.461 26.499 17.891 1.00 20.00 H new ATOM 0 HB2 LEU A 57 20.669 24.945 19.285 1.00 20.00 H new ATOM 0 HB3 LEU A 57 20.770 25.534 17.638 1.00 20.00 H new ATOM 0 HG LEU A 57 20.320 27.244 20.077 1.00 20.00 H new ATOM 0 HD11 LEU A 57 22.677 28.045 19.711 1.00 20.00 H new ATOM 0 HD12 LEU A 57 22.604 26.305 20.079 1.00 20.00 H new ATOM 0 HD13 LEU A 57 22.850 26.850 18.403 1.00 20.00 H new ATOM 0 HD21 LEU A 57 20.892 29.191 18.610 1.00 20.00 H new ATOM 0 HD22 LEU A 57 20.958 28.090 17.213 1.00 20.00 H new ATOM 0 HD23 LEU A 57 19.422 28.343 18.075 1.00 20.00 H new ATOM 307 N GLN A 58 18.873 24.138 16.564 1.00 20.00 N ATOM 308 CA GLN A 58 18.593 22.970 15.735 1.00 20.00 C ATOM 309 C GLN A 58 19.869 22.259 15.275 1.00 20.00 C ATOM 310 O GLN A 58 19.889 21.031 15.226 1.00 20.00 O ATOM 311 CB GLN A 58 17.682 23.380 14.567 1.00 20.00 C ATOM 312 CG GLN A 58 18.291 24.378 13.567 1.00 20.00 C ATOM 313 CD GLN A 58 17.331 24.713 12.425 1.00 20.00 C ATOM 314 OE1 GLN A 58 16.153 24.989 12.645 1.00 20.00 O ATOM 315 NE2 GLN A 58 17.828 24.722 11.190 1.00 20.00 N ATOM 0 H GLN A 58 19.553 24.771 16.142 1.00 20.00 H new ATOM 0 HA GLN A 58 18.064 22.232 16.338 1.00 20.00 H new ATOM 0 HB2 GLN A 58 17.391 22.481 14.024 1.00 20.00 H new ATOM 0 HB3 GLN A 58 16.770 23.814 14.976 1.00 20.00 H new ATOM 0 HG2 GLN A 58 18.563 25.294 14.091 1.00 20.00 H new ATOM 0 HG3 GLN A 58 19.210 23.962 13.156 1.00 20.00 H new ATOM 0 HE21 GLN A 58 18.809 24.489 11.033 1.00 20.00 H new ATOM 0 HE22 GLN A 58 17.228 24.962 10.401 1.00 20.00 H new ATOM 324 N ALA A 59 20.936 23.016 14.984 1.00 20.00 N ATOM 325 CA ALA A 59 22.254 22.481 14.664 1.00 20.00 C ATOM 326 C ALA A 59 22.969 21.998 15.933 1.00 20.00 C ATOM 327 O ALA A 59 23.507 20.892 15.947 1.00 20.00 O ATOM 328 CB ALA A 59 23.072 23.557 13.944 1.00 20.00 C ATOM 0 H ALA A 59 20.900 24.035 14.966 1.00 20.00 H new ATOM 0 HA ALA A 59 22.144 21.619 14.006 1.00 20.00 H new ATOM 0 HB1 ALA A 59 24.059 23.163 13.702 1.00 20.00 H new ATOM 0 HB2 ALA A 59 22.562 23.848 13.025 1.00 20.00 H new ATOM 0 HB3 ALA A 59 23.178 24.428 14.591 1.00 20.00 H new ATOM 334 N GLU A 60 22.960 22.812 17.001 1.00 20.00 N ATOM 335 CA GLU A 60 23.623 22.488 18.263 1.00 20.00 C ATOM 336 C GLU A 60 22.747 21.596 19.155 1.00 20.00 C ATOM 337 O GLU A 60 23.282 20.825 19.952 1.00 20.00 O ATOM 338 CB GLU A 60 23.960 23.794 18.989 1.00 20.00 C ATOM 339 CG GLU A 60 25.079 24.600 18.306 1.00 20.00 C ATOM 340 CD GLU A 60 26.476 23.969 18.415 1.00 20.00 C ATOM 341 OE1 GLU A 60 26.666 23.047 19.242 1.00 20.00 O ATOM 342 OE2 GLU A 60 27.366 24.442 17.675 1.00 20.00 O ATOM 0 H GLU A 60 22.489 23.717 17.008 1.00 20.00 H new ATOM 0 HA GLU A 60 24.533 21.929 18.046 1.00 20.00 H new ATOM 0 HB2 GLU A 60 23.063 24.410 19.049 1.00 20.00 H new ATOM 0 HB3 GLU A 60 24.259 23.566 20.012 1.00 20.00 H new ATOM 0 HG2 GLU A 60 24.830 24.722 17.252 1.00 20.00 H new ATOM 0 HG3 GLU A 60 25.110 25.598 18.743 1.00 20.00 H new ATOM 349 N SER A 61 21.417 21.660 18.989 1.00 20.00 N ATOM 350 CA SER A 61 20.459 20.766 19.635 1.00 20.00 C ATOM 351 C SER A 61 20.422 19.364 18.980 1.00 20.00 C ATOM 352 O SER A 61 19.677 18.498 19.438 1.00 20.00 O ATOM 353 CB SER A 61 19.077 21.422 19.586 1.00 20.00 C ATOM 354 OG SER A 61 18.159 20.743 20.413 1.00 20.00 O ATOM 0 H SER A 61 20.973 22.353 18.387 1.00 20.00 H new ATOM 0 HA SER A 61 20.771 20.611 20.668 1.00 20.00 H new ATOM 0 HB2 SER A 61 19.154 22.462 19.902 1.00 20.00 H new ATOM 0 HB3 SER A 61 18.711 21.427 18.559 1.00 20.00 H new ATOM 0 HG SER A 61 18.327 19.779 20.366 1.00 20.00 H new ATOM 360 N ALA A 62 21.217 19.137 17.919 1.00 20.00 N ATOM 361 CA ALA A 62 21.429 17.844 17.263 1.00 20.00 C ATOM 362 C ALA A 62 22.775 17.206 17.666 1.00 20.00 C ATOM 363 O ALA A 62 23.217 16.259 17.014 1.00 20.00 O ATOM 364 CB ALA A 62 21.309 18.031 15.746 1.00 20.00 C ATOM 0 H ALA A 62 21.751 19.887 17.479 1.00 20.00 H new ATOM 0 HA ALA A 62 20.661 17.145 17.595 1.00 20.00 H new ATOM 0 HB1 ALA A 62 21.465 17.074 15.248 1.00 20.00 H new ATOM 0 HB2 ALA A 62 20.316 18.408 15.503 1.00 20.00 H new ATOM 0 HB3 ALA A 62 22.061 18.744 15.407 1.00 20.00 H new ATOM 370 N SER A 63 23.422 17.715 18.731 1.00 20.00 N ATOM 371 CA SER A 63 24.777 17.366 19.154 1.00 20.00 C ATOM 372 C SER A 63 24.881 16.969 20.640 1.00 20.00 C ATOM 373 O SER A 63 25.994 16.904 21.167 1.00 20.00 O ATOM 374 CB SER A 63 25.680 18.564 18.811 1.00 20.00 C ATOM 375 OG SER A 63 27.041 18.187 18.723 1.00 20.00 O ATOM 0 H SER A 63 22.990 18.409 19.341 1.00 20.00 H new ATOM 0 HA SER A 63 25.098 16.471 18.622 1.00 20.00 H new ATOM 0 HB2 SER A 63 25.362 19.000 17.864 1.00 20.00 H new ATOM 0 HB3 SER A 63 25.565 19.336 19.572 1.00 20.00 H new ATOM 0 HG SER A 63 27.275 17.625 19.491 1.00 20.00 H new ATOM 381 N CYS A 64 23.748 16.713 21.315 1.00 20.00 N ATOM 382 CA CYS A 64 23.666 16.527 22.770 1.00 20.00 C ATOM 383 C CYS A 64 22.932 15.251 23.226 1.00 20.00 C ATOM 384 O CYS A 64 23.097 14.866 24.385 1.00 20.00 O ATOM 385 CB CYS A 64 22.994 17.769 23.375 1.00 20.00 C ATOM 386 SG CYS A 64 24.103 19.147 23.744 1.00 20.00 S ATOM 0 H CYS A 64 22.843 16.628 20.851 1.00 20.00 H new ATOM 0 HA CYS A 64 24.688 16.400 23.128 1.00 20.00 H new ATOM 0 HB2 CYS A 64 22.225 18.118 22.685 1.00 20.00 H new ATOM 0 HB3 CYS A 64 22.488 17.476 24.295 1.00 20.00 H new ATOM 391 N GLY A 65 22.151 14.587 22.356 1.00 20.00 N ATOM 392 CA GLY A 65 21.395 13.371 22.665 1.00 20.00 C ATOM 393 C GLY A 65 19.905 13.520 22.354 1.00 20.00 C ATOM 394 O GLY A 65 19.537 13.850 21.228 1.00 20.00 O ATOM 0 H GLY A 65 22.028 14.895 21.391 1.00 20.00 H new ATOM 0 HA2 GLY A 65 21.802 12.537 22.093 1.00 20.00 H new ATOM 0 HA3 GLY A 65 21.521 13.125 23.719 1.00 20.00 H new ATOM 398 N LYS A 66 19.054 13.253 23.353 1.00 20.00 N ATOM 399 CA LYS A 66 17.593 13.331 23.280 1.00 20.00 C ATOM 400 C LYS A 66 17.043 14.044 24.524 1.00 20.00 C ATOM 401 O LYS A 66 17.625 13.952 25.606 1.00 20.00 O ATOM 402 CB LYS A 66 16.999 11.910 23.177 1.00 20.00 C ATOM 403 CG LYS A 66 17.393 11.120 21.912 1.00 20.00 C ATOM 404 CD LYS A 66 16.810 11.672 20.598 1.00 20.00 C ATOM 405 CE LYS A 66 15.286 11.524 20.492 1.00 20.00 C ATOM 406 NZ LYS A 66 14.870 10.113 20.377 1.00 20.00 N ATOM 0 H LYS A 66 19.382 12.964 24.275 1.00 20.00 H new ATOM 0 HA LYS A 66 17.309 13.900 22.395 1.00 20.00 H new ATOM 0 HB2 LYS A 66 17.310 11.340 24.053 1.00 20.00 H new ATOM 0 HB3 LYS A 66 15.912 11.985 23.215 1.00 20.00 H new ATOM 0 HG2 LYS A 66 18.480 11.106 21.833 1.00 20.00 H new ATOM 0 HG3 LYS A 66 17.069 10.086 22.031 1.00 20.00 H new ATOM 0 HD2 LYS A 66 17.071 12.726 20.509 1.00 20.00 H new ATOM 0 HD3 LYS A 66 17.276 11.156 19.758 1.00 20.00 H new ATOM 0 HE2 LYS A 66 14.817 11.969 21.370 1.00 20.00 H new ATOM 0 HE3 LYS A 66 14.928 12.078 19.624 1.00 20.00 H new ATOM 0 HZ1 LYS A 66 13.845 10.066 20.206 1.00 20.00 H new ATOM 0 HZ2 LYS A 66 15.374 9.666 19.585 1.00 20.00 H new ATOM 0 HZ3 LYS A 66 15.097 9.611 21.259 1.00 20.00 H new ATOM 420 N GLY A 67 15.913 14.750 24.365 1.00 20.00 N ATOM 421 CA GLY A 67 15.268 15.516 25.432 1.00 20.00 C ATOM 422 C GLY A 67 16.039 16.776 25.855 1.00 20.00 C ATOM 423 O GLY A 67 15.817 17.266 26.962 1.00 20.00 O ATOM 0 H GLY A 67 15.417 14.803 23.475 1.00 20.00 H new ATOM 0 HA2 GLY A 67 14.270 15.807 25.103 1.00 20.00 H new ATOM 0 HA3 GLY A 67 15.142 14.871 26.302 1.00 20.00 H new ATOM 427 N GLN A 68 16.951 17.275 25.006 1.00 20.00 N ATOM 428 CA GLN A 68 17.916 18.329 25.300 1.00 20.00 C ATOM 429 C GLN A 68 17.788 19.519 24.337 1.00 20.00 C ATOM 430 O GLN A 68 17.059 19.461 23.345 1.00 20.00 O ATOM 431 CB GLN A 68 19.338 17.739 25.306 1.00 20.00 C ATOM 432 CG GLN A 68 19.635 16.818 24.119 1.00 20.00 C ATOM 433 CD GLN A 68 19.518 17.480 22.739 1.00 20.00 C ATOM 434 OE1 GLN A 68 19.949 18.610 22.532 1.00 20.00 O ATOM 435 NE2 GLN A 68 18.919 16.784 21.775 1.00 20.00 N ATOM 0 H GLN A 68 17.034 16.932 24.049 1.00 20.00 H new ATOM 0 HA GLN A 68 17.701 18.727 26.292 1.00 20.00 H new ATOM 0 HB2 GLN A 68 20.059 18.556 25.308 1.00 20.00 H new ATOM 0 HB3 GLN A 68 19.485 17.182 26.231 1.00 20.00 H new ATOM 0 HG2 GLN A 68 20.644 16.421 24.230 1.00 20.00 H new ATOM 0 HG3 GLN A 68 18.952 15.969 24.157 1.00 20.00 H new ATOM 0 HE21 GLN A 68 18.567 15.846 21.967 1.00 20.00 H new ATOM 0 HE22 GLN A 68 18.812 17.189 20.845 1.00 20.00 H new ATOM 444 N LYS A 69 18.560 20.577 24.620 1.00 20.00 N ATOM 445 CA LYS A 69 18.917 21.652 23.697 1.00 20.00 C ATOM 446 C LYS A 69 20.220 22.330 24.146 1.00 20.00 C ATOM 447 O LYS A 69 20.691 22.104 25.265 1.00 20.00 O ATOM 448 CB LYS A 69 17.756 22.652 23.512 1.00 20.00 C ATOM 449 CG LYS A 69 16.981 23.087 24.766 1.00 20.00 C ATOM 450 CD LYS A 69 17.772 23.883 25.804 1.00 20.00 C ATOM 451 CE LYS A 69 16.839 24.287 26.948 1.00 20.00 C ATOM 452 NZ LYS A 69 15.934 25.401 26.602 1.00 20.00 N ATOM 0 H LYS A 69 18.970 20.709 25.545 1.00 20.00 H new ATOM 0 HA LYS A 69 19.098 21.219 22.713 1.00 20.00 H new ATOM 0 HB2 LYS A 69 18.157 23.548 23.038 1.00 20.00 H new ATOM 0 HB3 LYS A 69 17.044 22.213 22.813 1.00 20.00 H new ATOM 0 HG2 LYS A 69 16.128 23.688 24.451 1.00 20.00 H new ATOM 0 HG3 LYS A 69 16.582 22.195 25.249 1.00 20.00 H new ATOM 0 HD2 LYS A 69 18.598 23.284 26.187 1.00 20.00 H new ATOM 0 HD3 LYS A 69 18.208 24.770 25.344 1.00 20.00 H new ATOM 0 HE2 LYS A 69 16.243 23.423 27.243 1.00 20.00 H new ATOM 0 HE3 LYS A 69 17.439 24.571 27.813 1.00 20.00 H new ATOM 0 HZ1 LYS A 69 15.731 25.961 27.455 1.00 20.00 H new ATOM 0 HZ2 LYS A 69 16.387 26.008 25.889 1.00 20.00 H new ATOM 0 HZ3 LYS A 69 15.046 25.020 26.218 1.00 20.00 H new ATOM 466 N CYS A 70 20.788 23.179 23.278 1.00 20.00 N ATOM 467 CA CYS A 70 21.948 23.998 23.616 1.00 20.00 C ATOM 468 C CYS A 70 21.493 25.373 24.107 1.00 20.00 C ATOM 469 O CYS A 70 20.966 26.177 23.334 1.00 20.00 O ATOM 470 CB CYS A 70 22.936 24.104 22.453 1.00 20.00 C ATOM 471 SG CYS A 70 24.543 24.740 23.035 1.00 20.00 S ATOM 0 H CYS A 70 20.452 23.313 22.324 1.00 20.00 H new ATOM 0 HA CYS A 70 22.487 23.506 24.426 1.00 20.00 H new ATOM 0 HB2 CYS A 70 23.071 23.125 21.993 1.00 20.00 H new ATOM 0 HB3 CYS A 70 22.533 24.765 21.685 1.00 20.00 H new ATOM 0 HG CYS A 70 25.367 24.820 22.033 1.00 20.00 H new ATOM 476 N CYS A 71 21.689 25.617 25.409 1.00 20.00 N ATOM 477 CA CYS A 71 21.371 26.877 26.066 1.00 20.00 C ATOM 478 C CYS A 71 22.484 27.903 25.819 1.00 20.00 C ATOM 479 O CYS A 71 23.667 27.598 25.978 1.00 20.00 O ATOM 480 CB CYS A 71 21.172 26.615 27.564 1.00 20.00 C ATOM 481 SG CYS A 71 20.929 28.081 28.603 1.00 20.00 S ATOM 0 H CYS A 71 22.083 24.923 26.044 1.00 20.00 H new ATOM 0 HA CYS A 71 20.451 27.292 25.654 1.00 20.00 H new ATOM 0 HB2 CYS A 71 20.309 25.960 27.686 1.00 20.00 H new ATOM 0 HB3 CYS A 71 22.040 26.071 27.936 1.00 20.00 H new