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= 0.0133 X(o=0.013,f=-0.055) USER MOD Single : A 53 GLN : amide:sc= -0.116 X(o=-0.12,f=-0.12) USER MOD Single : A 55 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0653) USER MOD Single : A 58 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 61 SER OG : rot 180:sc= 0 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= 0.681 K(o=0.68,f=-0.032) USER MOD Single : A 69 LYS NZ :NH3+ 166:sc= 0.835 (180deg=0.72) USER MOD Single : A 70 CYS SG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 116 N GLU A 46 27.197 26.379 25.253 1.00 20.00 N ATOM 117 CA GLU A 46 26.823 25.233 26.072 1.00 20.00 C ATOM 118 C GLU A 46 25.568 24.567 25.510 1.00 20.00 C ATOM 119 O GLU A 46 24.661 25.230 24.998 1.00 20.00 O ATOM 120 CB GLU A 46 26.596 25.660 27.532 1.00 20.00 C ATOM 121 CG GLU A 46 27.904 26.017 28.248 1.00 20.00 C ATOM 122 CD GLU A 46 27.655 26.439 29.696 1.00 20.00 C ATOM 123 OE1 GLU A 46 27.193 27.585 29.893 1.00 20.00 O ATOM 124 OE2 GLU A 46 27.937 25.620 30.599 1.00 20.00 O ATOM 0 HA GLU A 46 27.640 24.512 26.050 1.00 20.00 H new ATOM 0 HB2 GLU A 46 25.926 26.519 27.556 1.00 20.00 H new ATOM 0 HB3 GLU A 46 26.099 24.853 28.070 1.00 20.00 H new ATOM 0 HG2 GLU A 46 28.576 25.159 28.229 1.00 20.00 H new ATOM 0 HG3 GLU A 46 28.403 26.825 27.713 1.00 20.00 H new ATOM 131 N CYS A 47 25.529 23.238 25.650 1.00 20.00 N ATOM 132 CA CYS A 47 24.436 22.381 25.221 1.00 20.00 C ATOM 133 C CYS A 47 23.369 22.336 26.316 1.00 20.00 C ATOM 134 O CYS A 47 23.331 21.412 27.129 1.00 20.00 O ATOM 135 CB CYS A 47 24.997 21.001 24.862 1.00 20.00 C ATOM 136 SG CYS A 47 26.096 21.020 23.421 1.00 20.00 S ATOM 0 H CYS A 47 26.291 22.716 26.083 1.00 20.00 H new ATOM 0 HA CYS A 47 23.952 22.773 24.327 1.00 20.00 H new ATOM 0 HB2 CYS A 47 25.542 20.605 25.719 1.00 20.00 H new ATOM 0 HB3 CYS A 47 24.168 20.320 24.668 1.00 20.00 H new ATOM 141 N ASN A 48 22.517 23.368 26.333 1.00 20.00 N ATOM 142 CA ASN A 48 21.380 23.515 27.236 1.00 20.00 C ATOM 143 C ASN A 48 20.234 22.583 26.798 1.00 20.00 C ATOM 144 O ASN A 48 20.171 22.208 25.626 1.00 20.00 O ATOM 145 CB ASN A 48 20.915 24.983 27.212 1.00 20.00 C ATOM 146 CG ASN A 48 21.797 25.915 28.047 1.00 20.00 C ATOM 147 OD1 ASN A 48 21.359 26.426 29.074 1.00 20.00 O ATOM 148 ND2 ASN A 48 23.036 26.157 27.623 1.00 20.00 N ATOM 0 H ASN A 48 22.609 24.154 25.689 1.00 20.00 H new ATOM 0 HA ASN A 48 21.674 23.242 28.249 1.00 20.00 H new ATOM 0 HB2 ASN A 48 20.902 25.335 26.181 1.00 20.00 H new ATOM 0 HB3 ASN A 48 19.891 25.038 27.581 1.00 20.00 H new ATOM 0 HD21 ASN A 48 23.645 26.779 28.155 1.00 20.00 H new ATOM 0 HD22 ASN A 48 23.376 25.720 26.766 1.00 20.00 H new ATOM 155 N PRO A 49 19.296 22.228 27.699 1.00 20.00 N ATOM 156 CA PRO A 49 18.148 21.399 27.346 1.00 20.00 C ATOM 157 C PRO A 49 17.187 22.158 26.423 1.00 20.00 C ATOM 158 O PRO A 49 17.193 23.388 26.368 1.00 20.00 O ATOM 159 CB PRO A 49 17.494 21.019 28.678 1.00 20.00 C ATOM 160 CG PRO A 49 17.868 22.177 29.600 1.00 20.00 C ATOM 161 CD PRO A 49 19.258 22.581 29.111 1.00 20.00 C ATOM 0 HA PRO A 49 18.440 20.509 26.789 1.00 20.00 H new ATOM 0 HB2 PRO A 49 16.413 20.917 28.580 1.00 20.00 H new ATOM 0 HB3 PRO A 49 17.872 20.068 29.054 1.00 20.00 H new ATOM 0 HG2 PRO A 49 17.158 23.000 29.520 1.00 20.00 H new ATOM 0 HG3 PRO A 49 17.883 21.870 30.646 1.00 20.00 H new ATOM 0 HD2 PRO A 49 19.428 23.648 29.253 1.00 20.00 H new ATOM 0 HD3 PRO A 49 20.036 22.058 29.667 1.00 20.00 H new ATOM 169 N LEU A 50 16.339 21.403 25.716 1.00 20.00 N ATOM 170 CA LEU A 50 15.340 21.922 24.779 1.00 20.00 C ATOM 171 C LEU A 50 14.309 22.811 25.488 1.00 20.00 C ATOM 172 O LEU A 50 13.829 23.783 24.907 1.00 20.00 O ATOM 173 CB LEU A 50 14.628 20.737 24.110 1.00 20.00 C ATOM 174 CG LEU A 50 15.567 19.793 23.330 1.00 20.00 C ATOM 175 CD1 LEU A 50 14.863 18.445 23.151 1.00 20.00 C ATOM 176 CD2 LEU A 50 15.988 20.369 21.974 1.00 20.00 C ATOM 0 H LEU A 50 16.330 20.385 25.783 1.00 20.00 H new ATOM 0 HA LEU A 50 15.847 22.534 24.033 1.00 20.00 H new ATOM 0 HB2 LEU A 50 14.107 20.162 24.875 1.00 20.00 H new ATOM 0 HB3 LEU A 50 13.869 21.121 23.428 1.00 20.00 H new ATOM 0 HG LEU A 50 16.485 19.669 23.904 1.00 20.00 H new ATOM 0 HD11 LEU A 50 15.513 17.765 22.601 1.00 20.00 H new ATOM 0 HD12 LEU A 50 14.637 18.020 24.129 1.00 20.00 H new ATOM 0 HD13 LEU A 50 13.936 18.589 22.596 1.00 20.00 H new ATOM 0 HD21 LEU A 50 16.648 19.664 21.468 1.00 20.00 H new ATOM 0 HD22 LEU A 50 15.103 20.542 21.361 1.00 20.00 H new ATOM 0 HD23 LEU A 50 16.513 21.312 22.126 1.00 20.00 H new ATOM 188 N ASP A 51 14.009 22.488 26.754 1.00 20.00 N ATOM 189 CA ASP A 51 13.124 23.230 27.655 1.00 20.00 C ATOM 190 C ASP A 51 13.634 24.643 28.002 1.00 20.00 C ATOM 191 O ASP A 51 12.845 25.461 28.479 1.00 20.00 O ATOM 192 CB ASP A 51 12.955 22.430 28.962 1.00 20.00 C ATOM 193 CG ASP A 51 12.179 21.120 28.789 1.00 20.00 C ATOM 194 OD1 ASP A 51 11.102 21.005 29.416 1.00 20.00 O ATOM 195 OD2 ASP A 51 12.676 20.232 28.060 1.00 20.00 O ATOM 0 H ASP A 51 14.400 21.657 27.198 1.00 20.00 H new ATOM 0 HA ASP A 51 12.177 23.355 27.130 1.00 20.00 H new ATOM 0 HB2 ASP A 51 13.941 22.206 29.370 1.00 20.00 H new ATOM 0 HB3 ASP A 51 12.440 23.052 29.694 1.00 20.00 H new ATOM 200 N ARG A 52 14.927 24.935 27.784 1.00 20.00 N ATOM 201 CA ARG A 52 15.556 26.207 28.130 1.00 20.00 C ATOM 202 C ARG A 52 15.031 27.347 27.254 1.00 20.00 C ATOM 203 O ARG A 52 15.147 27.295 26.027 1.00 20.00 O ATOM 204 CB ARG A 52 17.075 26.103 28.005 1.00 20.00 C ATOM 205 CG ARG A 52 17.759 27.298 28.683 1.00 20.00 C ATOM 206 CD ARG A 52 17.522 27.322 30.205 1.00 20.00 C ATOM 207 NE ARG A 52 16.379 28.149 30.627 1.00 20.00 N ATOM 208 CZ ARG A 52 16.318 29.487 30.666 1.00 20.00 C ATOM 209 NH1 ARG A 52 17.330 30.258 30.268 1.00 20.00 N ATOM 210 NH2 ARG A 52 15.207 30.065 31.116 1.00 20.00 N ATOM 0 H ARG A 52 15.573 24.274 27.352 1.00 20.00 H new ATOM 0 HA ARG A 52 15.300 26.433 29.165 1.00 20.00 H new ATOM 0 HB2 ARG A 52 17.419 25.174 28.460 1.00 20.00 H new ATOM 0 HB3 ARG A 52 17.356 26.066 26.953 1.00 20.00 H new ATOM 0 HG2 ARG A 52 18.830 27.261 28.485 1.00 20.00 H new ATOM 0 HG3 ARG A 52 17.386 28.224 28.245 1.00 20.00 H new ATOM 0 HD2 ARG A 52 17.365 26.301 30.553 1.00 20.00 H new ATOM 0 HD3 ARG A 52 18.423 27.691 30.696 1.00 20.00 H new ATOM 0 HE ARG A 52 15.541 27.648 30.922 1.00 20.00 H new ATOM 0 HH11 ARG A 52 18.189 29.832 29.919 1.00 20.00 H new ATOM 0 HH12 ARG A 52 17.246 31.274 30.313 1.00 20.00 H new ATOM 0 HH21 ARG A 52 14.422 29.491 31.423 1.00 20.00 H new ATOM 0 HH22 ARG A 52 15.141 31.082 31.154 1.00 20.00 H new ATOM 224 N GLN A 53 14.506 28.392 27.906 1.00 20.00 N ATOM 225 CA GLN A 53 14.070 29.631 27.271 1.00 20.00 C ATOM 226 C GLN A 53 15.281 30.526 26.956 1.00 20.00 C ATOM 227 O GLN A 53 15.601 31.467 27.686 1.00 20.00 O ATOM 228 CB GLN A 53 13.009 30.346 28.131 1.00 20.00 C ATOM 229 CG GLN A 53 11.702 29.549 28.283 1.00 20.00 C ATOM 230 CD GLN A 53 10.958 29.374 26.958 1.00 20.00 C ATOM 231 OE1 GLN A 53 11.046 28.330 26.317 1.00 20.00 O ATOM 232 NE2 GLN A 53 10.217 30.395 26.535 1.00 20.00 N ATOM 0 H GLN A 53 14.371 28.394 28.917 1.00 20.00 H new ATOM 0 HA GLN A 53 13.591 29.394 26.321 1.00 20.00 H new ATOM 0 HB2 GLN A 53 13.425 30.539 29.120 1.00 20.00 H new ATOM 0 HB3 GLN A 53 12.784 31.315 27.685 1.00 20.00 H new ATOM 0 HG2 GLN A 53 11.927 28.568 28.701 1.00 20.00 H new ATOM 0 HG3 GLN A 53 11.052 30.058 28.995 1.00 20.00 H new ATOM 0 HE21 GLN A 53 10.163 31.250 27.089 1.00 20.00 H new ATOM 0 HE22 GLN A 53 9.703 30.323 25.657 1.00 20.00 H new ATOM 241 N CYS A 54 15.939 30.210 25.836 1.00 20.00 N ATOM 242 CA CYS A 54 16.946 31.010 25.147 1.00 20.00 C ATOM 243 C CYS A 54 16.892 30.699 23.641 1.00 20.00 C ATOM 244 O CYS A 54 16.026 29.945 23.190 1.00 20.00 O ATOM 245 CB CYS A 54 18.342 30.760 25.747 1.00 20.00 C ATOM 246 SG CYS A 54 18.931 29.048 25.717 1.00 20.00 S ATOM 0 H CYS A 54 15.767 29.326 25.357 1.00 20.00 H new ATOM 0 HA CYS A 54 16.735 32.071 25.283 1.00 20.00 H new ATOM 0 HB2 CYS A 54 19.061 31.379 25.211 1.00 20.00 H new ATOM 0 HB3 CYS A 54 18.336 31.102 26.782 1.00 20.00 H new ATOM 251 N LYS A 55 17.815 31.278 22.860 1.00 20.00 N ATOM 252 CA LYS A 55 17.947 31.021 21.427 1.00 20.00 C ATOM 253 C LYS A 55 18.220 29.530 21.160 1.00 20.00 C ATOM 254 O LYS A 55 18.739 28.818 22.021 1.00 20.00 O ATOM 255 CB LYS A 55 19.061 31.927 20.878 1.00 20.00 C ATOM 256 CG LYS A 55 19.206 31.886 19.346 1.00 20.00 C ATOM 257 CD LYS A 55 20.222 32.915 18.827 1.00 20.00 C ATOM 258 CE LYS A 55 19.713 34.360 18.881 1.00 20.00 C ATOM 259 NZ LYS A 55 18.630 34.600 17.911 1.00 20.00 N ATOM 0 H LYS A 55 18.498 31.947 23.215 1.00 20.00 H new ATOM 0 HA LYS A 55 17.016 31.255 20.911 1.00 20.00 H new ATOM 0 HB2 LYS A 55 18.865 32.954 21.186 1.00 20.00 H new ATOM 0 HB3 LYS A 55 20.009 31.634 21.330 1.00 20.00 H new ATOM 0 HG2 LYS A 55 19.516 30.887 19.040 1.00 20.00 H new ATOM 0 HG3 LYS A 55 18.236 32.074 18.887 1.00 20.00 H new ATOM 0 HD2 LYS A 55 21.137 32.839 19.415 1.00 20.00 H new ATOM 0 HD3 LYS A 55 20.483 32.669 17.798 1.00 20.00 H new ATOM 0 HE2 LYS A 55 19.355 34.581 19.886 1.00 20.00 H new ATOM 0 HE3 LYS A 55 20.538 35.043 18.679 1.00 20.00 H new ATOM 0 HZ1 LYS A 55 18.419 35.618 17.871 1.00 20.00 H new ATOM 0 HZ2 LYS A 55 18.927 34.271 16.970 1.00 20.00 H new ATOM 0 HZ3 LYS A 55 17.778 34.081 18.206 1.00 20.00 H new ATOM 273 N GLU A 56 17.857 29.072 19.956 1.00 20.00 N ATOM 274 CA GLU A 56 18.022 27.706 19.482 1.00 20.00 C ATOM 275 C GLU A 56 18.352 27.730 17.989 1.00 20.00 C ATOM 276 O GLU A 56 17.516 28.111 17.170 1.00 20.00 O ATOM 277 CB GLU A 56 16.749 26.907 19.802 1.00 20.00 C ATOM 278 CG GLU A 56 16.786 25.463 19.281 1.00 20.00 C ATOM 279 CD GLU A 56 15.567 24.641 19.713 1.00 20.00 C ATOM 280 OE1 GLU A 56 15.125 24.796 20.873 1.00 20.00 O ATOM 281 OE2 GLU A 56 15.093 23.842 18.874 1.00 20.00 O ATOM 0 H GLU A 56 17.421 29.676 19.259 1.00 20.00 H new ATOM 0 HA GLU A 56 18.851 27.210 19.987 1.00 20.00 H new ATOM 0 HB2 GLU A 56 16.601 26.892 20.882 1.00 20.00 H new ATOM 0 HB3 GLU A 56 15.890 27.419 19.369 1.00 20.00 H new ATOM 0 HG2 GLU A 56 16.842 25.476 18.192 1.00 20.00 H new ATOM 0 HG3 GLU A 56 17.692 24.976 19.640 1.00 20.00 H new ATOM 288 N LEU A 57 19.584 27.326 17.656 1.00 20.00 N ATOM 289 CA LEU A 57 20.083 27.123 16.298 1.00 20.00 C ATOM 290 C LEU A 57 19.458 25.852 15.692 1.00 20.00 C ATOM 291 O LEU A 57 18.754 25.106 16.377 1.00 20.00 O ATOM 292 CB LEU A 57 21.627 27.032 16.347 1.00 20.00 C ATOM 293 CG LEU A 57 22.403 28.360 16.533 1.00 20.00 C ATOM 294 CD1 LEU A 57 22.387 29.217 15.260 1.00 20.00 C ATOM 295 CD2 LEU A 57 21.953 29.215 17.727 1.00 20.00 C ATOM 0 H LEU A 57 20.291 27.123 18.363 1.00 20.00 H new ATOM 0 HA LEU A 57 19.801 27.960 15.660 1.00 20.00 H new ATOM 0 HB2 LEU A 57 21.901 26.362 17.162 1.00 20.00 H new ATOM 0 HB3 LEU A 57 21.969 26.566 15.423 1.00 20.00 H new ATOM 0 HG LEU A 57 23.420 28.034 16.751 1.00 20.00 H new ATOM 0 HD11 LEU A 57 22.942 30.138 15.435 1.00 20.00 H new ATOM 0 HD12 LEU A 57 22.850 28.664 14.443 1.00 20.00 H new ATOM 0 HD13 LEU A 57 21.357 29.458 14.997 1.00 20.00 H new ATOM 0 HD21 LEU A 57 22.555 30.122 17.772 1.00 20.00 H new ATOM 0 HD22 LEU A 57 20.903 29.482 17.608 1.00 20.00 H new ATOM 0 HD23 LEU A 57 22.081 28.648 18.649 1.00 20.00 H new ATOM 307 N GLN A 58 19.732 25.597 14.405 1.00 20.00 N ATOM 308 CA GLN A 58 19.242 24.423 13.680 1.00 20.00 C ATOM 309 C GLN A 58 20.392 23.547 13.173 1.00 20.00 C ATOM 310 O GLN A 58 20.380 22.337 13.406 1.00 20.00 O ATOM 311 CB GLN A 58 18.239 24.839 12.586 1.00 20.00 C ATOM 312 CG GLN A 58 18.811 25.697 11.446 1.00 20.00 C ATOM 313 CD GLN A 58 17.713 26.226 10.522 1.00 20.00 C ATOM 314 OE1 GLN A 58 16.873 25.475 10.034 1.00 20.00 O ATOM 315 NE2 GLN A 58 17.716 27.529 10.251 1.00 20.00 N ATOM 0 H GLN A 58 20.310 26.212 13.832 1.00 20.00 H new ATOM 0 HA GLN A 58 18.690 23.788 14.373 1.00 20.00 H new ATOM 0 HB2 GLN A 58 17.806 23.937 12.154 1.00 20.00 H new ATOM 0 HB3 GLN A 58 17.425 25.390 13.057 1.00 20.00 H new ATOM 0 HG2 GLN A 58 19.366 26.535 11.867 1.00 20.00 H new ATOM 0 HG3 GLN A 58 19.519 25.105 10.866 1.00 20.00 H new ATOM 0 HE21 GLN A 58 18.423 28.135 10.667 1.00 20.00 H new ATOM 0 HE22 GLN A 58 17.011 27.922 9.627 1.00 20.00 H new ATOM 324 N ALA A 59 21.397 24.152 12.527 1.00 20.00 N ATOM 325 CA ALA A 59 22.603 23.458 12.084 1.00 20.00 C ATOM 326 C ALA A 59 23.609 23.306 13.234 1.00 20.00 C ATOM 327 O ALA A 59 24.249 22.261 13.347 1.00 20.00 O ATOM 328 CB ALA A 59 23.222 24.224 10.911 1.00 20.00 C ATOM 0 H ALA A 59 21.391 25.146 12.297 1.00 20.00 H new ATOM 0 HA ALA A 59 22.335 22.454 11.756 1.00 20.00 H new ATOM 0 HB1 ALA A 59 24.123 23.710 10.576 1.00 20.00 H new ATOM 0 HB2 ALA A 59 22.506 24.273 10.090 1.00 20.00 H new ATOM 0 HB3 ALA A 59 23.478 25.234 11.231 1.00 20.00 H new ATOM 334 N GLU A 60 23.731 24.330 14.095 1.00 20.00 N ATOM 335 CA GLU A 60 24.662 24.333 15.224 1.00 20.00 C ATOM 336 C GLU A 60 24.133 23.530 16.423 1.00 20.00 C ATOM 337 O GLU A 60 24.927 23.051 17.230 1.00 20.00 O ATOM 338 CB GLU A 60 24.953 25.779 15.659 1.00 20.00 C ATOM 339 CG GLU A 60 26.411 25.982 16.089 1.00 20.00 C ATOM 340 CD GLU A 60 27.330 26.219 14.892 1.00 20.00 C ATOM 341 OE1 GLU A 60 27.674 25.227 14.215 1.00 20.00 O ATOM 342 OE2 GLU A 60 27.681 27.397 14.662 1.00 20.00 O ATOM 0 H GLU A 60 23.179 25.184 14.022 1.00 20.00 H new ATOM 0 HA GLU A 60 25.579 23.851 14.886 1.00 20.00 H new ATOM 0 HB2 GLU A 60 24.723 26.456 14.836 1.00 20.00 H new ATOM 0 HB3 GLU A 60 24.294 26.046 16.485 1.00 20.00 H new ATOM 0 HG2 GLU A 60 26.474 26.832 16.769 1.00 20.00 H new ATOM 0 HG3 GLU A 60 26.752 25.106 16.641 1.00 20.00 H new ATOM 349 N SER A 61 22.807 23.356 16.535 1.00 20.00 N ATOM 350 CA SER A 61 22.160 22.524 17.543 1.00 20.00 C ATOM 351 C SER A 61 22.500 21.035 17.370 1.00 20.00 C ATOM 352 O SER A 61 22.587 20.317 18.365 1.00 20.00 O ATOM 353 CB SER A 61 20.650 22.761 17.451 1.00 20.00 C ATOM 354 OG SER A 61 19.952 21.936 18.349 1.00 20.00 O ATOM 0 H SER A 61 22.143 23.806 15.905 1.00 20.00 H new ATOM 0 HA SER A 61 22.527 22.802 18.531 1.00 20.00 H new ATOM 0 HB2 SER A 61 20.429 23.806 17.666 1.00 20.00 H new ATOM 0 HB3 SER A 61 20.310 22.566 16.434 1.00 20.00 H new ATOM 0 HG SER A 61 18.990 22.108 18.271 1.00 20.00 H new ATOM 360 N ALA A 62 22.735 20.583 16.128 1.00 20.00 N ATOM 361 CA ALA A 62 23.168 19.220 15.831 1.00 20.00 C ATOM 362 C ALA A 62 24.600 18.919 16.311 1.00 20.00 C ATOM 363 O ALA A 62 24.952 17.745 16.425 1.00 20.00 O ATOM 364 CB ALA A 62 23.041 18.978 14.324 1.00 20.00 C ATOM 0 H ALA A 62 22.627 21.165 15.297 1.00 20.00 H new ATOM 0 HA ALA A 62 22.521 18.538 16.382 1.00 20.00 H new ATOM 0 HB1 ALA A 62 23.362 17.963 14.090 1.00 20.00 H new ATOM 0 HB2 ALA A 62 22.002 19.109 14.021 1.00 20.00 H new ATOM 0 HB3 ALA A 62 23.668 19.689 13.787 1.00 20.00 H new ATOM 370 N SER A 63 25.404 19.948 16.637 1.00 20.00 N ATOM 371 CA SER A 63 26.730 19.786 17.239 1.00 20.00 C ATOM 372 C SER A 63 26.635 19.201 18.659 1.00 20.00 C ATOM 373 O SER A 63 27.518 18.446 19.062 1.00 20.00 O ATOM 374 CB SER A 63 27.481 21.126 17.284 1.00 20.00 C ATOM 375 OG SER A 63 27.582 21.719 16.005 1.00 20.00 O ATOM 0 H SER A 63 25.144 20.923 16.486 1.00 20.00 H new ATOM 0 HA SER A 63 27.284 19.088 16.612 1.00 20.00 H new ATOM 0 HB2 SER A 63 26.966 21.808 17.960 1.00 20.00 H new ATOM 0 HB3 SER A 63 28.480 20.968 17.691 1.00 20.00 H new ATOM 0 HG SER A 63 28.064 22.569 16.076 1.00 20.00 H new ATOM 381 N CYS A 64 25.553 19.512 19.394 1.00 20.00 N ATOM 382 CA CYS A 64 25.228 18.951 20.705 1.00 20.00 C ATOM 383 C CYS A 64 24.672 17.517 20.641 1.00 20.00 C ATOM 384 O CYS A 64 24.537 16.876 21.683 1.00 20.00 O ATOM 385 CB CYS A 64 24.199 19.861 21.381 1.00 20.00 C ATOM 386 SG CYS A 64 24.839 21.480 21.880 1.00 20.00 S ATOM 0 H CYS A 64 24.859 20.187 19.074 1.00 20.00 H new ATOM 0 HA CYS A 64 26.157 18.898 21.273 1.00 20.00 H new ATOM 0 HB2 CYS A 64 23.362 20.010 20.699 1.00 20.00 H new ATOM 0 HB3 CYS A 64 23.807 19.353 22.262 1.00 20.00 H new ATOM 391 N GLY A 65 24.355 17.019 19.439 1.00 20.00 N ATOM 392 CA GLY A 65 23.804 15.694 19.192 1.00 20.00 C ATOM 393 C GLY A 65 22.281 15.739 19.199 1.00 20.00 C ATOM 394 O GLY A 65 21.676 16.389 18.347 1.00 20.00 O ATOM 0 H GLY A 65 24.483 17.556 18.581 1.00 20.00 H new ATOM 0 HA2 GLY A 65 24.158 15.320 18.231 1.00 20.00 H new ATOM 0 HA3 GLY A 65 24.157 14.999 19.954 1.00 20.00 H new ATOM 398 N LYS A 66 21.685 15.047 20.176 1.00 20.00 N ATOM 399 CA LYS A 66 20.250 14.994 20.433 1.00 20.00 C ATOM 400 C LYS A 66 19.938 15.240 21.915 1.00 20.00 C ATOM 401 O LYS A 66 20.792 15.057 22.785 1.00 20.00 O ATOM 402 CB LYS A 66 19.686 13.653 19.932 1.00 20.00 C ATOM 403 CG LYS A 66 20.235 12.407 20.654 1.00 20.00 C ATOM 404 CD LYS A 66 19.624 11.126 20.069 1.00 20.00 C ATOM 405 CE LYS A 66 20.223 9.856 20.684 1.00 20.00 C ATOM 406 NZ LYS A 66 19.786 9.644 22.075 1.00 20.00 N ATOM 0 H LYS A 66 22.219 14.484 20.838 1.00 20.00 H new ATOM 0 HA LYS A 66 19.759 15.796 19.882 1.00 20.00 H new ATOM 0 HB2 LYS A 66 18.601 13.669 20.040 1.00 20.00 H new ATOM 0 HB3 LYS A 66 19.899 13.561 18.867 1.00 20.00 H new ATOM 0 HG2 LYS A 66 21.320 12.374 20.559 1.00 20.00 H new ATOM 0 HG3 LYS A 66 20.010 12.469 21.719 1.00 20.00 H new ATOM 0 HD2 LYS A 66 18.547 11.133 20.235 1.00 20.00 H new ATOM 0 HD3 LYS A 66 19.781 11.112 18.990 1.00 20.00 H new ATOM 0 HE2 LYS A 66 19.937 8.994 20.081 1.00 20.00 H new ATOM 0 HE3 LYS A 66 21.311 9.919 20.654 1.00 20.00 H new ATOM 0 HZ1 LYS A 66 20.218 8.774 22.446 1.00 20.00 H new ATOM 0 HZ2 LYS A 66 20.081 10.453 22.659 1.00 20.00 H new ATOM 0 HZ3 LYS A 66 18.750 9.556 22.104 1.00 20.00 H new ATOM 420 N GLY A 67 18.693 15.656 22.186 1.00 20.00 N ATOM 421 CA GLY A 67 18.166 15.953 23.517 1.00 20.00 C ATOM 422 C GLY A 67 18.594 17.314 24.088 1.00 20.00 C ATOM 423 O GLY A 67 17.944 17.799 25.014 1.00 20.00 O ATOM 0 H GLY A 67 18.001 15.799 21.451 1.00 20.00 H new ATOM 0 HA2 GLY A 67 17.077 15.917 23.478 1.00 20.00 H new ATOM 0 HA3 GLY A 67 18.487 15.169 24.203 1.00 20.00 H new ATOM 427 N GLN A 68 19.642 17.937 23.527 1.00 20.00 N ATOM 428 CA GLN A 68 20.161 19.258 23.886 1.00 20.00 C ATOM 429 C GLN A 68 20.306 20.113 22.615 1.00 20.00 C ATOM 430 O GLN A 68 20.315 19.587 21.502 1.00 20.00 O ATOM 431 CB GLN A 68 21.532 19.140 24.586 1.00 20.00 C ATOM 432 CG GLN A 68 21.634 18.155 25.764 1.00 20.00 C ATOM 433 CD GLN A 68 20.757 18.505 26.966 1.00 20.00 C ATOM 434 OE1 GLN A 68 19.778 17.825 27.253 1.00 20.00 O ATOM 435 NE2 GLN A 68 21.117 19.544 27.712 1.00 20.00 N ATOM 0 H GLN A 68 20.175 17.507 22.771 1.00 20.00 H new ATOM 0 HA GLN A 68 19.461 19.730 24.575 1.00 20.00 H new ATOM 0 HB2 GLN A 68 22.270 18.851 23.838 1.00 20.00 H new ATOM 0 HB3 GLN A 68 21.814 20.129 24.946 1.00 20.00 H new ATOM 0 HG2 GLN A 68 21.364 17.159 25.412 1.00 20.00 H new ATOM 0 HG3 GLN A 68 22.673 18.107 26.091 1.00 20.00 H new ATOM 0 HE21 GLN A 68 21.935 20.097 27.456 1.00 20.00 H new ATOM 0 HE22 GLN A 68 20.575 19.789 28.541 1.00 20.00 H new ATOM 444 N LYS A 69 20.454 21.433 22.790 1.00 20.00 N ATOM 445 CA LYS A 69 20.580 22.423 21.721 1.00 20.00 C ATOM 446 C LYS A 69 21.516 23.570 22.124 1.00 20.00 C ATOM 447 O LYS A 69 21.839 23.738 23.301 1.00 20.00 O ATOM 448 CB LYS A 69 19.180 22.912 21.301 1.00 20.00 C ATOM 449 CG LYS A 69 18.242 23.456 22.395 1.00 20.00 C ATOM 450 CD LYS A 69 18.519 24.897 22.831 1.00 20.00 C ATOM 451 CE LYS A 69 17.361 25.375 23.710 1.00 20.00 C ATOM 452 NZ LYS A 69 17.456 26.813 23.996 1.00 20.00 N ATOM 0 H LYS A 69 20.490 21.853 23.719 1.00 20.00 H new ATOM 0 HA LYS A 69 21.043 21.956 20.852 1.00 20.00 H new ATOM 0 HB2 LYS A 69 19.311 23.695 20.554 1.00 20.00 H new ATOM 0 HB3 LYS A 69 18.672 22.083 20.808 1.00 20.00 H new ATOM 0 HG2 LYS A 69 17.215 23.393 22.035 1.00 20.00 H new ATOM 0 HG3 LYS A 69 18.314 22.808 23.269 1.00 20.00 H new ATOM 0 HD2 LYS A 69 19.458 24.951 23.381 1.00 20.00 H new ATOM 0 HD3 LYS A 69 18.623 25.542 21.959 1.00 20.00 H new ATOM 0 HE2 LYS A 69 16.415 25.164 23.212 1.00 20.00 H new ATOM 0 HE3 LYS A 69 17.360 24.817 24.646 1.00 20.00 H new ATOM 0 HZ1 LYS A 69 16.552 27.150 24.384 1.00 20.00 H new ATOM 0 HZ2 LYS A 69 18.214 26.980 24.689 1.00 20.00 H new ATOM 0 HZ3 LYS A 69 17.670 27.328 23.118 1.00 20.00 H new ATOM 466 N CYS A 70 21.948 24.366 21.133 1.00 20.00 N ATOM 467 CA CYS A 70 22.830 25.512 21.344 1.00 20.00 C ATOM 468 C CYS A 70 22.055 26.673 21.984 1.00 20.00 C ATOM 469 O CYS A 70 20.881 26.872 21.678 1.00 20.00 O ATOM 470 CB CYS A 70 23.436 25.933 19.999 1.00 20.00 C ATOM 471 SG CYS A 70 24.734 27.193 20.128 1.00 20.00 S ATOM 0 H CYS A 70 21.689 24.226 20.156 1.00 20.00 H new ATOM 0 HA CYS A 70 23.634 25.234 22.025 1.00 20.00 H new ATOM 0 HB2 CYS A 70 23.849 25.052 19.508 1.00 20.00 H new ATOM 0 HB3 CYS A 70 22.640 26.312 19.358 1.00 20.00 H new ATOM 0 HG CYS A 70 25.182 27.478 18.941 1.00 20.00 H new ATOM 476 N CYS A 71 22.727 27.442 22.851 1.00 20.00 N ATOM 477 CA CYS A 71 22.162 28.560 23.604 1.00 20.00 C ATOM 478 C CYS A 71 23.212 29.667 23.774 1.00 20.00 C ATOM 479 O CYS A 71 24.415 29.396 23.811 1.00 20.00 O ATOM 480 CB CYS A 71 21.710 28.017 24.965 1.00 20.00 C ATOM 481 SG CYS A 71 20.921 29.147 26.148 1.00 20.00 S ATOM 0 H CYS A 71 23.716 27.294 23.052 1.00 20.00 H new ATOM 0 HA CYS A 71 21.314 28.995 23.076 1.00 20.00 H new ATOM 0 HB2 CYS A 71 21.014 27.199 24.778 1.00 20.00 H new ATOM 0 HB3 CYS A 71 22.584 27.587 25.454 1.00 20.00 H new