USER MOD reduce.3.24.130724 H: found=0, std=0, add=382, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 375 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 221 CYS SG : rot 132:sc= 0.168 USER MOD Set 1.2: A 223 ASN : amide:sc= 0.296 K(o=-4.9,f=-7.5!) USER MOD Set 1.3: A 225 CYS SG : rot -88:sc= -3.8! USER MOD Set 1.4: A 238 HIS : no HE2:sc= -2.23 K(o=-4.9,f=-7.9) USER MOD Set 1.5: A 243 CYS SG : rot 97:sc= 0.636 USER MOD Set 2.1: A 195 CYS SG : rot 120:sc= -0.214 USER MOD Set 2.2: A 198 CYS SG : rot -65:sc= -2.55 USER MOD Set 2.3: A 210 HIS : no HD1:sc= -1.16 K(o=-6.1,f=-7.6) USER MOD Set 2.4: A 214 CYS SG : rot 156:sc= -2.17 USER MOD Single : A 192 THR OG1 : rot -39:sc= 0.173 USER MOD Single : A 193 GLN : amide:sc= -0.644 K(o=-0.64,f=-1.2) USER MOD Single : A 196 THR OG1 : rot 180:sc= 0 USER MOD Single : A 197 TYR OH : rot 180:sc= 0 USER MOD Single : A 199 THR OG1 : rot 31:sc= 0.484 USER MOD Single : A 200 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 206 THR OG1 : rot -25:sc= 0.622 USER MOD Single : A 208 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 209 SER OG : rot 180:sc= 0 USER MOD Single : A 211 GLN : amide:sc= 0 X(o=0,f=-0.31) USER MOD Single : A 212 TYR OH : rot 180:sc= 0 USER MOD Single : A 213 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 224 GLN : amide:sc= -0.131 X(o=-0.13,f=-0.5) USER MOD Single : A 229 THR OG1 : rot 180:sc= 0 USER MOD Single : A 240 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0161) USER MOD Single : A 242 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 112 N THR A 192 -16.819 -10.157 7.324 1.00 0.00 N ATOM 113 CA THR A 192 -15.716 -9.231 7.099 1.00 0.00 C ATOM 114 C THR A 192 -14.705 -9.293 8.238 1.00 0.00 C ATOM 115 O THR A 192 -15.075 -9.249 9.411 1.00 0.00 O ATOM 116 CB THR A 192 -16.221 -7.782 6.954 1.00 0.00 C ATOM 117 OG1 THR A 192 -17.103 -7.460 8.035 1.00 0.00 O ATOM 118 CG2 THR A 192 -16.943 -7.591 5.629 1.00 0.00 C ATOM 0 HA THR A 192 -15.232 -9.535 6.171 1.00 0.00 H new ATOM 0 HB THR A 192 -15.359 -7.116 6.979 1.00 0.00 H new ATOM 0 HG1 THR A 192 -17.666 -8.235 8.240 1.00 0.00 H new ATOM 0 HG21 THR A 192 -17.290 -6.561 5.549 1.00 0.00 H new ATOM 0 HG22 THR A 192 -16.260 -7.808 4.808 1.00 0.00 H new ATOM 0 HG23 THR A 192 -17.797 -8.267 5.579 1.00 0.00 H new ATOM 126 N GLN A 193 -13.428 -9.394 7.884 1.00 0.00 N ATOM 127 CA GLN A 193 -12.363 -9.462 8.878 1.00 0.00 C ATOM 128 C GLN A 193 -11.573 -8.158 8.920 1.00 0.00 C ATOM 129 O GLN A 193 -10.750 -7.875 8.049 1.00 0.00 O ATOM 130 CB GLN A 193 -11.426 -10.631 8.573 1.00 0.00 C ATOM 131 CG GLN A 193 -11.997 -11.986 8.958 1.00 0.00 C ATOM 132 CD GLN A 193 -12.450 -12.039 10.403 1.00 0.00 C ATOM 133 OE1 GLN A 193 -13.569 -11.642 10.731 1.00 0.00 O ATOM 134 NE2 GLN A 193 -11.581 -12.532 11.279 1.00 0.00 N ATOM 0 H GLN A 193 -13.106 -9.431 6.917 1.00 0.00 H new ATOM 0 HA GLN A 193 -12.821 -9.619 9.854 1.00 0.00 H new ATOM 0 HB2 GLN A 193 -11.196 -10.633 7.508 1.00 0.00 H new ATOM 0 HB3 GLN A 193 -10.485 -10.479 9.102 1.00 0.00 H new ATOM 0 HG2 GLN A 193 -12.841 -12.218 8.308 1.00 0.00 H new ATOM 0 HG3 GLN A 193 -11.243 -12.755 8.789 1.00 0.00 H new ATOM 0 HE21 GLN A 193 -10.664 -12.850 10.964 1.00 0.00 H new ATOM 0 HE22 GLN A 193 -11.831 -12.593 12.266 1.00 0.00 H new ATOM 143 N PRO A 194 -11.827 -7.344 9.955 1.00 0.00 N ATOM 144 CA PRO A 194 -11.149 -6.057 10.134 1.00 0.00 C ATOM 145 C PRO A 194 -9.678 -6.222 10.499 1.00 0.00 C ATOM 146 O PRO A 194 -9.340 -6.492 11.652 1.00 0.00 O ATOM 147 CB PRO A 194 -11.918 -5.410 11.290 1.00 0.00 C ATOM 148 CG PRO A 194 -12.494 -6.554 12.049 1.00 0.00 C ATOM 149 CD PRO A 194 -12.796 -7.618 11.030 1.00 0.00 C ATOM 0 HA PRO A 194 -11.149 -5.465 9.219 1.00 0.00 H new ATOM 0 HB2 PRO A 194 -11.259 -4.810 11.918 1.00 0.00 H new ATOM 0 HB3 PRO A 194 -12.700 -4.745 10.922 1.00 0.00 H new ATOM 0 HG2 PRO A 194 -11.791 -6.919 12.798 1.00 0.00 H new ATOM 0 HG3 PRO A 194 -13.398 -6.255 12.580 1.00 0.00 H new ATOM 0 HD2 PRO A 194 -12.666 -8.618 11.443 1.00 0.00 H new ATOM 0 HD3 PRO A 194 -13.823 -7.552 10.672 1.00 0.00 H new ATOM 157 N CYS A 195 -8.806 -6.059 9.510 1.00 0.00 N ATOM 158 CA CYS A 195 -7.370 -6.190 9.727 1.00 0.00 C ATOM 159 C CYS A 195 -6.913 -5.313 10.889 1.00 0.00 C ATOM 160 O CYS A 195 -7.492 -4.258 11.151 1.00 0.00 O ATOM 161 CB CYS A 195 -6.605 -5.812 8.457 1.00 0.00 C ATOM 162 SG CYS A 195 -4.798 -5.987 8.598 1.00 0.00 S ATOM 0 H CYS A 195 -9.069 -5.836 8.550 1.00 0.00 H new ATOM 0 HA CYS A 195 -7.159 -7.230 9.975 1.00 0.00 H new ATOM 0 HB2 CYS A 195 -6.957 -6.435 7.635 1.00 0.00 H new ATOM 0 HB3 CYS A 195 -6.840 -4.780 8.198 1.00 0.00 H new ATOM 0 HG CYS A 195 -4.374 -6.840 7.713 1.00 0.00 H new ATOM 167 N THR A 196 -5.870 -5.756 11.583 1.00 0.00 N ATOM 168 CA THR A 196 -5.335 -5.014 12.717 1.00 0.00 C ATOM 169 C THR A 196 -4.245 -4.044 12.275 1.00 0.00 C ATOM 170 O THR A 196 -4.180 -2.909 12.748 1.00 0.00 O ATOM 171 CB THR A 196 -4.760 -5.960 13.788 1.00 0.00 C ATOM 172 OG1 THR A 196 -5.797 -6.799 14.308 1.00 0.00 O ATOM 173 CG2 THR A 196 -4.122 -5.171 14.922 1.00 0.00 C ATOM 0 H THR A 196 -5.378 -6.626 11.379 1.00 0.00 H new ATOM 0 HA THR A 196 -6.165 -4.453 13.146 1.00 0.00 H new ATOM 0 HB THR A 196 -3.993 -6.578 13.321 1.00 0.00 H new ATOM 0 HG1 THR A 196 -5.423 -7.399 14.987 1.00 0.00 H new ATOM 0 HG21 THR A 196 -3.723 -5.861 15.666 1.00 0.00 H new ATOM 0 HG22 THR A 196 -3.313 -4.556 14.527 1.00 0.00 H new ATOM 0 HG23 THR A 196 -4.872 -4.530 15.386 1.00 0.00 H new ATOM 181 N TYR A 197 -3.391 -4.497 11.364 1.00 0.00 N ATOM 182 CA TYR A 197 -2.302 -3.669 10.859 1.00 0.00 C ATOM 183 C TYR A 197 -2.838 -2.383 10.237 1.00 0.00 C ATOM 184 O TYR A 197 -2.662 -1.294 10.785 1.00 0.00 O ATOM 185 CB TYR A 197 -1.481 -4.444 9.827 1.00 0.00 C ATOM 186 CG TYR A 197 -1.243 -5.889 10.203 1.00 0.00 C ATOM 187 CD1 TYR A 197 -0.532 -6.222 11.349 1.00 0.00 C ATOM 188 CD2 TYR A 197 -1.732 -6.922 9.412 1.00 0.00 C ATOM 189 CE1 TYR A 197 -0.312 -7.540 11.695 1.00 0.00 C ATOM 190 CE2 TYR A 197 -1.518 -8.244 9.752 1.00 0.00 C ATOM 191 CZ TYR A 197 -0.807 -8.548 10.894 1.00 0.00 C ATOM 192 OH TYR A 197 -0.592 -9.863 11.237 1.00 0.00 O ATOM 0 H TYR A 197 -3.432 -5.433 10.960 1.00 0.00 H new ATOM 0 HA TYR A 197 -1.661 -3.404 11.700 1.00 0.00 H new ATOM 0 HB2 TYR A 197 -1.994 -4.407 8.866 1.00 0.00 H new ATOM 0 HB3 TYR A 197 -0.519 -3.949 9.694 1.00 0.00 H new ATOM 0 HD1 TYR A 197 -0.145 -5.436 11.980 1.00 0.00 H new ATOM 0 HD2 TYR A 197 -2.289 -6.687 8.517 1.00 0.00 H new ATOM 0 HE1 TYR A 197 0.245 -7.781 12.588 1.00 0.00 H new ATOM 0 HE2 TYR A 197 -1.905 -9.035 9.127 1.00 0.00 H new ATOM 0 HH TYR A 197 -1.007 -10.447 10.569 1.00 0.00 H new ATOM 202 N CYS A 198 -3.495 -2.518 9.090 1.00 0.00 N ATOM 203 CA CYS A 198 -4.059 -1.369 8.392 1.00 0.00 C ATOM 204 C CYS A 198 -5.326 -0.878 9.087 1.00 0.00 C ATOM 205 O CYS A 198 -5.884 0.159 8.726 1.00 0.00 O ATOM 206 CB CYS A 198 -4.368 -1.730 6.938 1.00 0.00 C ATOM 207 SG CYS A 198 -5.688 -2.971 6.746 1.00 0.00 S ATOM 0 H CYS A 198 -3.650 -3.412 8.624 1.00 0.00 H new ATOM 0 HA CYS A 198 -3.322 -0.566 8.411 1.00 0.00 H new ATOM 0 HB2 CYS A 198 -4.654 -0.825 6.403 1.00 0.00 H new ATOM 0 HB3 CYS A 198 -3.460 -2.105 6.467 1.00 0.00 H new ATOM 0 HG CYS A 198 -5.300 -4.101 7.259 1.00 0.00 H new ATOM 212 N THR A 199 -5.775 -1.631 10.086 1.00 0.00 N ATOM 213 CA THR A 199 -6.976 -1.274 10.831 1.00 0.00 C ATOM 214 C THR A 199 -8.133 -0.958 9.890 1.00 0.00 C ATOM 215 O THR A 199 -8.906 -0.030 10.130 1.00 0.00 O ATOM 216 CB THR A 199 -6.729 -0.061 11.748 1.00 0.00 C ATOM 217 OG1 THR A 199 -6.102 0.992 11.008 1.00 0.00 O ATOM 218 CG2 THR A 199 -5.855 -0.447 12.931 1.00 0.00 C ATOM 0 H THR A 199 -5.325 -2.492 10.398 1.00 0.00 H new ATOM 0 HA THR A 199 -7.235 -2.137 11.445 1.00 0.00 H new ATOM 0 HB THR A 199 -7.692 0.284 12.125 1.00 0.00 H new ATOM 0 HG1 THR A 199 -6.397 0.956 10.074 1.00 0.00 H new ATOM 0 HG21 THR A 199 -5.694 0.425 13.564 1.00 0.00 H new ATOM 0 HG22 THR A 199 -6.349 -1.229 13.508 1.00 0.00 H new ATOM 0 HG23 THR A 199 -4.895 -0.815 12.569 1.00 0.00 H new ATOM 226 N LYS A 200 -8.248 -1.735 8.819 1.00 0.00 N ATOM 227 CA LYS A 200 -9.312 -1.540 7.841 1.00 0.00 C ATOM 228 C LYS A 200 -10.285 -2.715 7.855 1.00 0.00 C ATOM 229 O LYS A 200 -10.061 -3.709 8.544 1.00 0.00 O ATOM 230 CB LYS A 200 -8.721 -1.369 6.440 1.00 0.00 C ATOM 231 CG LYS A 200 -7.729 -0.224 6.334 1.00 0.00 C ATOM 232 CD LYS A 200 -7.478 0.164 4.886 1.00 0.00 C ATOM 233 CE LYS A 200 -6.788 1.516 4.783 1.00 0.00 C ATOM 234 NZ LYS A 200 -6.676 1.975 3.371 1.00 0.00 N ATOM 0 H LYS A 200 -7.616 -2.507 8.606 1.00 0.00 H new ATOM 0 HA LYS A 200 -9.858 -0.636 8.110 1.00 0.00 H new ATOM 0 HB2 LYS A 200 -8.226 -2.295 6.148 1.00 0.00 H new ATOM 0 HB3 LYS A 200 -9.532 -1.203 5.731 1.00 0.00 H new ATOM 0 HG2 LYS A 200 -8.108 0.639 6.882 1.00 0.00 H new ATOM 0 HG3 LYS A 200 -6.788 -0.512 6.803 1.00 0.00 H new ATOM 0 HD2 LYS A 200 -6.863 -0.597 4.406 1.00 0.00 H new ATOM 0 HD3 LYS A 200 -8.425 0.196 4.347 1.00 0.00 H new ATOM 0 HE2 LYS A 200 -7.345 2.253 5.361 1.00 0.00 H new ATOM 0 HE3 LYS A 200 -5.793 1.451 5.224 1.00 0.00 H new ATOM 0 HZ1 LYS A 200 -6.200 2.899 3.343 1.00 0.00 H new ATOM 0 HZ2 LYS A 200 -6.123 1.284 2.824 1.00 0.00 H new ATOM 0 HZ3 LYS A 200 -7.626 2.062 2.958 1.00 0.00 H new ATOM 248 N GLU A 201 -11.364 -2.593 7.088 1.00 0.00 N ATOM 249 CA GLU A 201 -12.370 -3.646 7.012 1.00 0.00 C ATOM 250 C GLU A 201 -12.325 -4.344 5.656 1.00 0.00 C ATOM 251 O GLU A 201 -12.484 -3.709 4.613 1.00 0.00 O ATOM 252 CB GLU A 201 -13.765 -3.067 7.255 1.00 0.00 C ATOM 253 CG GLU A 201 -13.936 -2.446 8.631 1.00 0.00 C ATOM 254 CD GLU A 201 -15.366 -2.517 9.130 1.00 0.00 C ATOM 255 OE1 GLU A 201 -16.270 -2.046 8.409 1.00 0.00 O ATOM 256 OE2 GLU A 201 -15.581 -3.044 10.242 1.00 0.00 O ATOM 0 H GLU A 201 -11.564 -1.776 6.511 1.00 0.00 H new ATOM 0 HA GLU A 201 -12.150 -4.381 7.786 1.00 0.00 H new ATOM 0 HB2 GLU A 201 -13.973 -2.312 6.497 1.00 0.00 H new ATOM 0 HB3 GLU A 201 -14.504 -3.858 7.128 1.00 0.00 H new ATOM 0 HG2 GLU A 201 -13.282 -2.956 9.339 1.00 0.00 H new ATOM 0 HG3 GLU A 201 -13.618 -1.404 8.597 1.00 0.00 H new ATOM 263 N PHE A 202 -12.108 -5.655 5.678 1.00 0.00 N ATOM 264 CA PHE A 202 -12.041 -6.440 4.451 1.00 0.00 C ATOM 265 C PHE A 202 -12.787 -7.762 4.610 1.00 0.00 C ATOM 266 O PHE A 202 -13.255 -8.097 5.698 1.00 0.00 O ATOM 267 CB PHE A 202 -10.584 -6.706 4.070 1.00 0.00 C ATOM 268 CG PHE A 202 -9.836 -5.470 3.661 1.00 0.00 C ATOM 269 CD1 PHE A 202 -10.269 -4.704 2.590 1.00 0.00 C ATOM 270 CD2 PHE A 202 -8.699 -5.072 4.348 1.00 0.00 C ATOM 271 CE1 PHE A 202 -9.581 -3.567 2.211 1.00 0.00 C ATOM 272 CE2 PHE A 202 -8.008 -3.935 3.974 1.00 0.00 C ATOM 273 CZ PHE A 202 -8.451 -3.181 2.905 1.00 0.00 C ATOM 0 H PHE A 202 -11.976 -6.196 6.532 1.00 0.00 H new ATOM 0 HA PHE A 202 -12.518 -5.867 3.656 1.00 0.00 H new ATOM 0 HB2 PHE A 202 -10.074 -7.166 4.916 1.00 0.00 H new ATOM 0 HB3 PHE A 202 -10.556 -7.425 3.251 1.00 0.00 H new ATOM 0 HD1 PHE A 202 -11.154 -4.999 2.046 1.00 0.00 H new ATOM 0 HD2 PHE A 202 -8.349 -5.658 5.185 1.00 0.00 H new ATOM 0 HE1 PHE A 202 -9.927 -2.981 1.373 1.00 0.00 H new ATOM 0 HE2 PHE A 202 -7.123 -3.637 4.517 1.00 0.00 H new ATOM 0 HZ PHE A 202 -7.914 -2.291 2.612 1.00 0.00 H new ATOM 283 N VAL A 203 -12.894 -8.509 3.516 1.00 0.00 N ATOM 284 CA VAL A 203 -13.582 -9.794 3.532 1.00 0.00 C ATOM 285 C VAL A 203 -12.592 -10.946 3.669 1.00 0.00 C ATOM 286 O VAL A 203 -11.487 -10.896 3.128 1.00 0.00 O ATOM 287 CB VAL A 203 -14.418 -10.000 2.255 1.00 0.00 C ATOM 288 CG1 VAL A 203 -13.520 -10.043 1.029 1.00 0.00 C ATOM 289 CG2 VAL A 203 -15.250 -11.269 2.362 1.00 0.00 C ATOM 0 H VAL A 203 -12.513 -8.246 2.607 1.00 0.00 H new ATOM 0 HA VAL A 203 -14.247 -9.785 4.395 1.00 0.00 H new ATOM 0 HB VAL A 203 -15.098 -9.155 2.147 1.00 0.00 H new ATOM 0 HG11 VAL A 203 -14.129 -10.189 0.137 1.00 0.00 H new ATOM 0 HG12 VAL A 203 -12.973 -9.104 0.945 1.00 0.00 H new ATOM 0 HG13 VAL A 203 -12.813 -10.867 1.125 1.00 0.00 H new ATOM 0 HG21 VAL A 203 -15.834 -11.399 1.451 1.00 0.00 H new ATOM 0 HG22 VAL A 203 -14.590 -12.126 2.495 1.00 0.00 H new ATOM 0 HG23 VAL A 203 -15.922 -11.192 3.217 1.00 0.00 H new ATOM 299 N PHE A 204 -12.996 -11.983 4.395 1.00 0.00 N ATOM 300 CA PHE A 204 -12.144 -13.148 4.604 1.00 0.00 C ATOM 301 C PHE A 204 -11.657 -13.711 3.272 1.00 0.00 C ATOM 302 O PHE A 204 -10.646 -14.410 3.214 1.00 0.00 O ATOM 303 CB PHE A 204 -12.901 -14.227 5.380 1.00 0.00 C ATOM 304 CG PHE A 204 -13.582 -15.234 4.498 1.00 0.00 C ATOM 305 CD1 PHE A 204 -14.812 -14.955 3.927 1.00 0.00 C ATOM 306 CD2 PHE A 204 -12.991 -16.461 4.242 1.00 0.00 C ATOM 307 CE1 PHE A 204 -15.441 -15.879 3.114 1.00 0.00 C ATOM 308 CE2 PHE A 204 -13.615 -17.389 3.430 1.00 0.00 C ATOM 309 CZ PHE A 204 -14.842 -17.099 2.866 1.00 0.00 C ATOM 0 H PHE A 204 -13.908 -12.041 4.848 1.00 0.00 H new ATOM 0 HA PHE A 204 -11.277 -12.834 5.185 1.00 0.00 H new ATOM 0 HB2 PHE A 204 -12.204 -14.745 6.039 1.00 0.00 H new ATOM 0 HB3 PHE A 204 -13.647 -13.750 6.016 1.00 0.00 H new ATOM 0 HD1 PHE A 204 -15.286 -14.004 4.119 1.00 0.00 H new ATOM 0 HD2 PHE A 204 -12.033 -16.695 4.682 1.00 0.00 H new ATOM 0 HE1 PHE A 204 -16.399 -15.648 2.673 1.00 0.00 H new ATOM 0 HE2 PHE A 204 -13.143 -18.341 3.236 1.00 0.00 H new ATOM 0 HZ PHE A 204 -15.332 -17.824 2.233 1.00 0.00 H new ATOM 319 N ASP A 205 -12.385 -13.402 2.204 1.00 0.00 N ATOM 320 CA ASP A 205 -12.028 -13.876 0.872 1.00 0.00 C ATOM 321 C ASP A 205 -10.795 -13.146 0.348 1.00 0.00 C ATOM 322 O ASP A 205 -10.047 -13.679 -0.473 1.00 0.00 O ATOM 323 CB ASP A 205 -13.199 -13.682 -0.092 1.00 0.00 C ATOM 324 CG ASP A 205 -12.803 -13.908 -1.538 1.00 0.00 C ATOM 325 OD1 ASP A 205 -12.549 -15.074 -1.908 1.00 0.00 O ATOM 326 OD2 ASP A 205 -12.747 -12.920 -2.299 1.00 0.00 O ATOM 0 H ASP A 205 -13.226 -12.825 2.235 1.00 0.00 H new ATOM 0 HA ASP A 205 -11.797 -14.939 0.941 1.00 0.00 H new ATOM 0 HB2 ASP A 205 -14.002 -14.370 0.173 1.00 0.00 H new ATOM 0 HB3 ASP A 205 -13.594 -12.672 0.020 1.00 0.00 H new ATOM 331 N THR A 206 -10.590 -11.923 0.826 1.00 0.00 N ATOM 332 CA THR A 206 -9.450 -11.119 0.404 1.00 0.00 C ATOM 333 C THR A 206 -8.353 -11.121 1.463 1.00 0.00 C ATOM 334 O THR A 206 -7.171 -11.248 1.144 1.00 0.00 O ATOM 335 CB THR A 206 -9.865 -9.664 0.115 1.00 0.00 C ATOM 336 OG1 THR A 206 -10.483 -9.091 1.272 1.00 0.00 O ATOM 337 CG2 THR A 206 -10.825 -9.599 -1.064 1.00 0.00 C ATOM 0 H THR A 206 -11.199 -11.467 1.506 1.00 0.00 H new ATOM 0 HA THR A 206 -9.068 -11.569 -0.512 1.00 0.00 H new ATOM 0 HB THR A 206 -8.968 -9.097 -0.135 1.00 0.00 H new ATOM 0 HG1 THR A 206 -10.860 -9.804 1.829 1.00 0.00 H new ATOM 0 HG21 THR A 206 -11.104 -8.562 -1.249 1.00 0.00 H new ATOM 0 HG22 THR A 206 -10.341 -10.008 -1.951 1.00 0.00 H new ATOM 0 HG23 THR A 206 -11.719 -10.180 -0.838 1.00 0.00 H new ATOM 345 N ILE A 207 -8.753 -10.981 2.722 1.00 0.00 N ATOM 346 CA ILE A 207 -7.803 -10.969 3.828 1.00 0.00 C ATOM 347 C ILE A 207 -6.648 -11.930 3.570 1.00 0.00 C ATOM 348 O ILE A 207 -5.527 -11.705 4.026 1.00 0.00 O ATOM 349 CB ILE A 207 -8.483 -11.346 5.158 1.00 0.00 C ATOM 350 CG1 ILE A 207 -7.665 -10.822 6.340 1.00 0.00 C ATOM 351 CG2 ILE A 207 -8.658 -12.854 5.255 1.00 0.00 C ATOM 352 CD1 ILE A 207 -7.944 -9.373 6.673 1.00 0.00 C ATOM 0 H ILE A 207 -9.728 -10.874 3.002 1.00 0.00 H new ATOM 0 HA ILE A 207 -7.417 -9.952 3.902 1.00 0.00 H new ATOM 0 HB ILE A 207 -9.469 -10.883 5.189 1.00 0.00 H new ATOM 0 HG12 ILE A 207 -7.875 -11.435 7.217 1.00 0.00 H new ATOM 0 HG13 ILE A 207 -6.604 -10.937 6.117 1.00 0.00 H new ATOM 0 HG21 ILE A 207 -9.140 -13.104 6.200 1.00 0.00 H new ATOM 0 HG22 ILE A 207 -9.277 -13.202 4.429 1.00 0.00 H new ATOM 0 HG23 ILE A 207 -7.682 -13.337 5.206 1.00 0.00 H new ATOM 0 HD11 ILE A 207 -7.329 -9.070 7.520 1.00 0.00 H new ATOM 0 HD12 ILE A 207 -7.707 -8.749 5.811 1.00 0.00 H new ATOM 0 HD13 ILE A 207 -8.997 -9.255 6.928 1.00 0.00 H new ATOM 364 N GLN A 208 -6.929 -13.001 2.835 1.00 0.00 N ATOM 365 CA GLN A 208 -5.912 -13.997 2.516 1.00 0.00 C ATOM 366 C GLN A 208 -4.785 -13.379 1.695 1.00 0.00 C ATOM 367 O GLN A 208 -3.611 -13.495 2.048 1.00 0.00 O ATOM 368 CB GLN A 208 -6.535 -15.165 1.751 1.00 0.00 C ATOM 369 CG GLN A 208 -7.635 -15.879 2.520 1.00 0.00 C ATOM 370 CD GLN A 208 -7.787 -17.331 2.110 1.00 0.00 C ATOM 371 OE1 GLN A 208 -7.101 -18.210 2.631 1.00 0.00 O ATOM 372 NE2 GLN A 208 -8.689 -17.589 1.170 1.00 0.00 N ATOM 0 H GLN A 208 -7.852 -13.202 2.449 1.00 0.00 H new ATOM 0 HA GLN A 208 -5.494 -14.367 3.452 1.00 0.00 H new ATOM 0 HB2 GLN A 208 -6.942 -14.796 0.810 1.00 0.00 H new ATOM 0 HB3 GLN A 208 -5.754 -15.883 1.501 1.00 0.00 H new ATOM 0 HG2 GLN A 208 -7.419 -15.828 3.587 1.00 0.00 H new ATOM 0 HG3 GLN A 208 -8.580 -15.360 2.361 1.00 0.00 H new ATOM 0 HE21 GLN A 208 -9.236 -16.829 0.766 1.00 0.00 H new ATOM 0 HE22 GLN A 208 -8.835 -18.547 0.853 1.00 0.00 H new ATOM 381 N SER A 209 -5.149 -12.723 0.598 1.00 0.00 N ATOM 382 CA SER A 209 -4.168 -12.091 -0.276 1.00 0.00 C ATOM 383 C SER A 209 -3.758 -10.725 0.266 1.00 0.00 C ATOM 384 O SER A 209 -2.591 -10.340 0.195 1.00 0.00 O ATOM 385 CB SER A 209 -4.733 -11.943 -1.690 1.00 0.00 C ATOM 386 OG SER A 209 -3.702 -12.000 -2.660 1.00 0.00 O ATOM 0 H SER A 209 -6.116 -12.615 0.293 1.00 0.00 H new ATOM 0 HA SER A 209 -3.285 -12.729 -0.311 1.00 0.00 H new ATOM 0 HB2 SER A 209 -5.459 -12.734 -1.879 1.00 0.00 H new ATOM 0 HB3 SER A 209 -5.265 -10.995 -1.775 1.00 0.00 H new ATOM 0 HG SER A 209 -4.089 -11.905 -3.555 1.00 0.00 H new ATOM 392 N HIS A 210 -4.728 -9.995 0.808 1.00 0.00 N ATOM 393 CA HIS A 210 -4.470 -8.672 1.364 1.00 0.00 C ATOM 394 C HIS A 210 -3.271 -8.702 2.306 1.00 0.00 C ATOM 395 O HIS A 210 -2.349 -7.897 2.179 1.00 0.00 O ATOM 396 CB HIS A 210 -5.704 -8.157 2.106 1.00 0.00 C ATOM 397 CG HIS A 210 -5.388 -7.141 3.160 1.00 0.00 C ATOM 398 ND1 HIS A 210 -5.067 -5.831 2.870 1.00 0.00 N ATOM 399 CD2 HIS A 210 -5.348 -7.247 4.509 1.00 0.00 C ATOM 400 CE1 HIS A 210 -4.840 -5.176 3.995 1.00 0.00 C ATOM 401 NE2 HIS A 210 -5.005 -6.013 5.004 1.00 0.00 N ATOM 0 H HIS A 210 -5.700 -10.298 0.874 1.00 0.00 H new ATOM 0 HA HIS A 210 -4.244 -7.997 0.539 1.00 0.00 H new ATOM 0 HB2 HIS A 210 -6.394 -7.718 1.385 1.00 0.00 H new ATOM 0 HB3 HIS A 210 -6.218 -9.000 2.568 1.00 0.00 H new ATOM 0 HD2 HIS A 210 -5.548 -8.136 5.088 1.00 0.00 H new ATOM 0 HE1 HIS A 210 -4.566 -4.134 4.076 1.00 0.00 H new ATOM 0 HE2 HIS A 210 -4.895 -5.780 5.991 1.00 0.00 H new ATOM 409 N GLN A 211 -3.291 -9.637 3.251 1.00 0.00 N ATOM 410 CA GLN A 211 -2.205 -9.770 4.216 1.00 0.00 C ATOM 411 C GLN A 211 -0.866 -9.409 3.582 1.00 0.00 C ATOM 412 O GLN A 211 -0.018 -8.780 4.215 1.00 0.00 O ATOM 413 CB GLN A 211 -2.155 -11.198 4.764 1.00 0.00 C ATOM 414 CG GLN A 211 -3.002 -11.401 6.009 1.00 0.00 C ATOM 415 CD GLN A 211 -2.677 -12.694 6.732 1.00 0.00 C ATOM 416 OE1 GLN A 211 -1.510 -13.011 6.965 1.00 0.00 O ATOM 417 NE2 GLN A 211 -3.709 -13.448 7.090 1.00 0.00 N ATOM 0 H GLN A 211 -4.046 -10.313 3.369 1.00 0.00 H new ATOM 0 HA GLN A 211 -2.395 -9.079 5.037 1.00 0.00 H new ATOM 0 HB2 GLN A 211 -2.491 -11.888 3.990 1.00 0.00 H new ATOM 0 HB3 GLN A 211 -1.121 -11.455 4.992 1.00 0.00 H new ATOM 0 HG2 GLN A 211 -2.850 -10.562 6.688 1.00 0.00 H new ATOM 0 HG3 GLN A 211 -4.056 -11.400 5.731 1.00 0.00 H new ATOM 0 HE21 GLN A 211 -4.660 -13.146 6.876 1.00 0.00 H new ATOM 0 HE22 GLN A 211 -3.551 -14.329 7.579 1.00 0.00 H new ATOM 426 N TYR A 212 -0.683 -9.810 2.329 1.00 0.00 N ATOM 427 CA TYR A 212 0.554 -9.531 1.610 1.00 0.00 C ATOM 428 C TYR A 212 0.640 -8.057 1.225 1.00 0.00 C ATOM 429 O TYR A 212 1.661 -7.406 1.445 1.00 0.00 O ATOM 430 CB TYR A 212 0.648 -10.403 0.356 1.00 0.00 C ATOM 431 CG TYR A 212 1.053 -11.832 0.642 1.00 0.00 C ATOM 432 CD1 TYR A 212 0.105 -12.789 0.982 1.00 0.00 C ATOM 433 CD2 TYR A 212 2.384 -12.225 0.570 1.00 0.00 C ATOM 434 CE1 TYR A 212 0.470 -14.095 1.244 1.00 0.00 C ATOM 435 CE2 TYR A 212 2.758 -13.529 0.829 1.00 0.00 C ATOM 436 CZ TYR A 212 1.798 -14.460 1.166 1.00 0.00 C ATOM 437 OH TYR A 212 2.166 -15.761 1.425 1.00 0.00 O ATOM 0 H TYR A 212 -1.376 -10.329 1.790 1.00 0.00 H new ATOM 0 HA TYR A 212 1.389 -9.765 2.271 1.00 0.00 H new ATOM 0 HB2 TYR A 212 -0.317 -10.402 -0.150 1.00 0.00 H new ATOM 0 HB3 TYR A 212 1.369 -9.960 -0.331 1.00 0.00 H new ATOM 0 HD1 TYR A 212 -0.936 -12.507 1.042 1.00 0.00 H new ATOM 0 HD2 TYR A 212 3.139 -11.498 0.307 1.00 0.00 H new ATOM 0 HE1 TYR A 212 -0.280 -14.826 1.508 1.00 0.00 H new ATOM 0 HE2 TYR A 212 3.797 -13.818 0.768 1.00 0.00 H new ATOM 0 HH TYR A 212 3.137 -15.852 1.326 1.00 0.00 H new ATOM 447 N GLN A 213 -0.440 -7.539 0.650 1.00 0.00 N ATOM 448 CA GLN A 213 -0.487 -6.142 0.234 1.00 0.00 C ATOM 449 C GLN A 213 -0.349 -5.212 1.435 1.00 0.00 C ATOM 450 O GLN A 213 0.468 -4.291 1.429 1.00 0.00 O ATOM 451 CB GLN A 213 -1.796 -5.851 -0.503 1.00 0.00 C ATOM 452 CG GLN A 213 -1.879 -6.502 -1.874 1.00 0.00 C ATOM 453 CD GLN A 213 -3.164 -6.163 -2.604 1.00 0.00 C ATOM 454 OE1 GLN A 213 -3.274 -5.111 -3.235 1.00 0.00 O ATOM 455 NE2 GLN A 213 -4.144 -7.054 -2.521 1.00 0.00 N ATOM 0 H GLN A 213 -1.294 -8.065 0.462 1.00 0.00 H new ATOM 0 HA GLN A 213 0.350 -5.962 -0.441 1.00 0.00 H new ATOM 0 HB2 GLN A 213 -2.631 -6.198 0.106 1.00 0.00 H new ATOM 0 HB3 GLN A 213 -1.909 -4.773 -0.614 1.00 0.00 H new ATOM 0 HG2 GLN A 213 -1.028 -6.182 -2.476 1.00 0.00 H new ATOM 0 HG3 GLN A 213 -1.803 -7.584 -1.764 1.00 0.00 H new ATOM 0 HE21 GLN A 213 -4.009 -7.912 -1.987 1.00 0.00 H new ATOM 0 HE22 GLN A 213 -5.032 -6.880 -2.991 1.00 0.00 H new ATOM 464 N CYS A 214 -1.153 -5.458 2.464 1.00 0.00 N ATOM 465 CA CYS A 214 -1.122 -4.643 3.672 1.00 0.00 C ATOM 466 C CYS A 214 0.296 -4.162 3.967 1.00 0.00 C ATOM 467 O CYS A 214 1.193 -4.947 4.276 1.00 0.00 O ATOM 468 CB CYS A 214 -1.660 -5.438 4.863 1.00 0.00 C ATOM 469 SG CYS A 214 -2.152 -4.408 6.283 1.00 0.00 S ATOM 0 H CYS A 214 -1.835 -6.216 2.485 1.00 0.00 H new ATOM 0 HA CYS A 214 -1.756 -3.772 3.509 1.00 0.00 H new ATOM 0 HB2 CYS A 214 -2.520 -6.023 4.537 1.00 0.00 H new ATOM 0 HB3 CYS A 214 -0.897 -6.146 5.188 1.00 0.00 H new ATOM 0 HG CYS A 214 -3.029 -5.047 6.999 1.00 0.00 H new ATOM 474 N PRO A 215 0.505 -2.840 3.870 1.00 0.00 N ATOM 475 CA PRO A 215 1.811 -2.224 4.123 1.00 0.00 C ATOM 476 C PRO A 215 2.201 -2.277 5.596 1.00 0.00 C ATOM 477 O PRO A 215 3.301 -2.707 5.942 1.00 0.00 O ATOM 478 CB PRO A 215 1.612 -0.775 3.673 1.00 0.00 C ATOM 479 CG PRO A 215 0.149 -0.533 3.810 1.00 0.00 C ATOM 480 CD PRO A 215 -0.518 -1.846 3.506 1.00 0.00 C ATOM 0 HA PRO A 215 2.615 -2.741 3.598 1.00 0.00 H new ATOM 0 HB2 PRO A 215 2.187 -0.086 4.292 1.00 0.00 H new ATOM 0 HB3 PRO A 215 1.942 -0.631 2.644 1.00 0.00 H new ATOM 0 HG2 PRO A 215 -0.098 -0.194 4.816 1.00 0.00 H new ATOM 0 HG3 PRO A 215 -0.184 0.243 3.121 1.00 0.00 H new ATOM 0 HD2 PRO A 215 -1.431 -1.977 4.087 1.00 0.00 H new ATOM 0 HD3 PRO A 215 -0.796 -1.922 2.455 1.00 0.00 H new ATOM 488 N ARG A 216 1.291 -1.837 6.460 1.00 0.00 N ATOM 489 CA ARG A 216 1.541 -1.833 7.896 1.00 0.00 C ATOM 490 C ARG A 216 2.205 -3.134 8.336 1.00 0.00 C ATOM 491 O ARG A 216 3.119 -3.130 9.161 1.00 0.00 O ATOM 492 CB ARG A 216 0.233 -1.630 8.662 1.00 0.00 C ATOM 493 CG ARG A 216 -0.310 -0.213 8.578 1.00 0.00 C ATOM 494 CD ARG A 216 0.492 0.743 9.447 1.00 0.00 C ATOM 495 NE ARG A 216 -0.024 0.806 10.811 1.00 0.00 N ATOM 496 CZ ARG A 216 0.704 1.185 11.856 1.00 0.00 C ATOM 497 NH1 ARG A 216 1.973 1.533 11.692 1.00 0.00 N ATOM 498 NH2 ARG A 216 0.162 1.217 13.067 1.00 0.00 N ATOM 0 H ARG A 216 0.375 -1.479 6.190 1.00 0.00 H new ATOM 0 HA ARG A 216 2.217 -1.007 8.120 1.00 0.00 H new ATOM 0 HB2 ARG A 216 -0.516 -2.320 8.274 1.00 0.00 H new ATOM 0 HB3 ARG A 216 0.392 -1.887 9.709 1.00 0.00 H new ATOM 0 HG2 ARG A 216 -0.285 0.127 7.543 1.00 0.00 H new ATOM 0 HG3 ARG A 216 -1.354 -0.203 8.892 1.00 0.00 H new ATOM 0 HD2 ARG A 216 1.535 0.426 9.468 1.00 0.00 H new ATOM 0 HD3 ARG A 216 0.471 1.739 9.005 1.00 0.00 H new ATOM 0 HE ARG A 216 -0.997 0.545 10.971 1.00 0.00 H new ATOM 0 HH11 ARG A 216 2.392 1.510 10.762 1.00 0.00 H new ATOM 0 HH12 ARG A 216 2.530 1.824 12.496 1.00 0.00 H new ATOM 0 HH21 ARG A 216 -0.814 0.951 13.196 1.00 0.00 H new ATOM 0 HH22 ARG A 216 0.722 1.508 13.869 1.00 0.00 H new ATOM 512 N LEU A 217 1.738 -4.247 7.781 1.00 0.00 N ATOM 513 CA LEU A 217 2.285 -5.557 8.116 1.00 0.00 C ATOM 514 C LEU A 217 3.798 -5.486 8.296 1.00 0.00 C ATOM 515 O LEU A 217 4.520 -4.927 7.470 1.00 0.00 O ATOM 516 CB LEU A 217 1.937 -6.571 7.025 1.00 0.00 C ATOM 517 CG LEU A 217 2.567 -7.957 7.171 1.00 0.00 C ATOM 518 CD1 LEU A 217 1.759 -8.811 8.136 1.00 0.00 C ATOM 519 CD2 LEU A 217 2.676 -8.639 5.815 1.00 0.00 C ATOM 0 H LEU A 217 0.982 -4.268 7.097 1.00 0.00 H new ATOM 0 HA LEU A 217 1.840 -5.879 9.058 1.00 0.00 H new ATOM 0 HB2 LEU A 217 0.854 -6.687 6.997 1.00 0.00 H new ATOM 0 HB3 LEU A 217 2.238 -6.157 6.063 1.00 0.00 H new ATOM 0 HG LEU A 217 3.572 -7.838 7.577 1.00 0.00 H new ATOM 0 HD11 LEU A 217 2.222 -9.794 8.228 1.00 0.00 H new ATOM 0 HD12 LEU A 217 1.733 -8.330 9.114 1.00 0.00 H new ATOM 0 HD13 LEU A 217 0.742 -8.923 7.759 1.00 0.00 H new ATOM 0 HD21 LEU A 217 3.126 -9.624 5.938 1.00 0.00 H new ATOM 0 HD22 LEU A 217 1.682 -8.746 5.381 1.00 0.00 H new ATOM 0 HD23 LEU A 217 3.298 -8.036 5.153 1.00 0.00 H new ATOM 531 N PRO A 218 4.291 -6.066 9.401 1.00 0.00 N ATOM 532 CA PRO A 218 5.723 -6.083 9.714 1.00 0.00 C ATOM 533 C PRO A 218 6.511 -6.985 8.770 1.00 0.00 C ATOM 534 O PRO A 218 6.061 -8.074 8.415 1.00 0.00 O ATOM 535 CB PRO A 218 5.767 -6.635 11.141 1.00 0.00 C ATOM 536 CG PRO A 218 4.521 -7.441 11.275 1.00 0.00 C ATOM 537 CD PRO A 218 3.488 -6.750 10.428 1.00 0.00 C ATOM 0 HA PRO A 218 6.175 -5.097 9.609 1.00 0.00 H new ATOM 0 HB2 PRO A 218 6.654 -7.248 11.301 1.00 0.00 H new ATOM 0 HB3 PRO A 218 5.799 -5.830 11.876 1.00 0.00 H new ATOM 0 HG2 PRO A 218 4.681 -8.465 10.938 1.00 0.00 H new ATOM 0 HG3 PRO A 218 4.201 -7.494 12.315 1.00 0.00 H new ATOM 0 HD2 PRO A 218 2.791 -7.461 9.985 1.00 0.00 H new ATOM 0 HD3 PRO A 218 2.896 -6.044 11.011 1.00 0.00 H new ATOM 545 N VAL A 219 7.691 -6.523 8.367 1.00 0.00 N ATOM 546 CA VAL A 219 8.543 -7.289 7.465 1.00 0.00 C ATOM 547 C VAL A 219 9.989 -7.296 7.949 1.00 0.00 C ATOM 548 O VAL A 219 10.531 -6.261 8.334 1.00 0.00 O ATOM 549 CB VAL A 219 8.496 -6.724 6.033 1.00 0.00 C ATOM 550 CG1 VAL A 219 7.095 -6.849 5.455 1.00 0.00 C ATOM 551 CG2 VAL A 219 8.960 -5.275 6.017 1.00 0.00 C ATOM 0 H VAL A 219 8.078 -5.623 8.651 1.00 0.00 H new ATOM 0 HA VAL A 219 8.160 -8.309 7.458 1.00 0.00 H new ATOM 0 HB VAL A 219 9.174 -7.306 5.409 1.00 0.00 H new ATOM 0 HG11 VAL A 219 7.082 -6.445 4.443 1.00 0.00 H new ATOM 0 HG12 VAL A 219 6.804 -7.899 5.430 1.00 0.00 H new ATOM 0 HG13 VAL A 219 6.394 -6.293 6.077 1.00 0.00 H new ATOM 0 HG21 VAL A 219 8.921 -4.892 4.997 1.00 0.00 H new ATOM 0 HG22 VAL A 219 8.309 -4.677 6.655 1.00 0.00 H new ATOM 0 HG23 VAL A 219 9.984 -5.217 6.387 1.00 0.00 H new ATOM 561 N ALA A 220 10.608 -8.472 7.927 1.00 0.00 N ATOM 562 CA ALA A 220 11.993 -8.614 8.361 1.00 0.00 C ATOM 563 C ALA A 220 12.936 -7.835 7.452 1.00 0.00 C ATOM 564 O ALA A 220 12.905 -7.987 6.230 1.00 0.00 O ATOM 565 CB ALA A 220 12.386 -10.084 8.398 1.00 0.00 C ATOM 0 H ALA A 220 10.173 -9.340 7.614 1.00 0.00 H new ATOM 0 HA ALA A 220 12.077 -8.201 9.366 1.00 0.00 H new ATOM 0 HB1 ALA A 220 13.422 -10.176 8.724 1.00 0.00 H new ATOM 0 HB2 ALA A 220 11.738 -10.616 9.095 1.00 0.00 H new ATOM 0 HB3 ALA A 220 12.279 -10.514 7.402 1.00 0.00 H new ATOM 571 N CYS A 221 13.775 -6.998 8.054 1.00 0.00 N ATOM 572 CA CYS A 221 14.727 -6.194 7.299 1.00 0.00 C ATOM 573 C CYS A 221 15.649 -7.080 6.467 1.00 0.00 C ATOM 574 O CYS A 221 16.221 -8.055 6.956 1.00 0.00 O ATOM 575 CB CYS A 221 15.556 -5.324 8.246 1.00 0.00 C ATOM 576 SG CYS A 221 16.519 -4.023 7.411 1.00 0.00 S ATOM 0 H CYS A 221 13.814 -6.859 9.064 1.00 0.00 H new ATOM 0 HA CYS A 221 14.164 -5.550 6.623 1.00 0.00 H new ATOM 0 HB2 CYS A 221 14.889 -4.858 8.971 1.00 0.00 H new ATOM 0 HB3 CYS A 221 16.239 -5.964 8.806 1.00 0.00 H new ATOM 0 HG CYS A 221 16.334 -2.889 8.019 1.00 0.00 H new ATOM 581 N PRO A 222 15.799 -6.735 5.180 1.00 0.00 N ATOM 582 CA PRO A 222 16.651 -7.485 4.253 1.00 0.00 C ATOM 583 C PRO A 222 18.134 -7.325 4.569 1.00 0.00 C ATOM 584 O PRO A 222 18.973 -8.056 4.044 1.00 0.00 O ATOM 585 CB PRO A 222 16.325 -6.866 2.891 1.00 0.00 C ATOM 586 CG PRO A 222 15.852 -5.489 3.205 1.00 0.00 C ATOM 587 CD PRO A 222 15.148 -5.585 4.530 1.00 0.00 C ATOM 0 HA PRO A 222 16.464 -8.558 4.305 1.00 0.00 H new ATOM 0 HB2 PRO A 222 17.203 -6.846 2.245 1.00 0.00 H new ATOM 0 HB3 PRO A 222 15.558 -7.439 2.369 1.00 0.00 H new ATOM 0 HG2 PRO A 222 16.688 -4.792 3.257 1.00 0.00 H new ATOM 0 HG3 PRO A 222 15.178 -5.122 2.431 1.00 0.00 H new ATOM 0 HD2 PRO A 222 15.266 -4.673 5.115 1.00 0.00 H new ATOM 0 HD3 PRO A 222 14.077 -5.747 4.405 1.00 0.00 H new ATOM 595 N ASN A 223 18.450 -6.364 5.432 1.00 0.00 N ATOM 596 CA ASN A 223 19.833 -6.109 5.818 1.00 0.00 C ATOM 597 C ASN A 223 20.180 -6.839 7.112 1.00 0.00 C ATOM 598 O ASN A 223 21.353 -7.030 7.432 1.00 0.00 O ATOM 599 CB ASN A 223 20.067 -4.606 5.989 1.00 0.00 C ATOM 600 CG ASN A 223 20.317 -3.906 4.667 1.00 0.00 C ATOM 601 OD1 ASN A 223 20.685 -4.539 3.677 1.00 0.00 O ATOM 602 ND2 ASN A 223 20.118 -2.593 4.646 1.00 0.00 N ATOM 0 H ASN A 223 17.768 -5.750 5.877 1.00 0.00 H new ATOM 0 HA ASN A 223 20.481 -6.484 5.025 1.00 0.00 H new ATOM 0 HB2 ASN A 223 19.200 -4.159 6.475 1.00 0.00 H new ATOM 0 HB3 ASN A 223 20.920 -4.447 6.649 1.00 0.00 H new ATOM 0 HD21 ASN A 223 20.270 -2.068 3.785 1.00 0.00 H new ATOM 0 HD22 ASN A 223 19.813 -2.110 5.491 1.00 0.00 H new ATOM 609 N GLN A 224 19.152 -7.245 7.850 1.00 0.00 N ATOM 610 CA GLN A 224 19.349 -7.954 9.109 1.00 0.00 C ATOM 611 C GLN A 224 20.104 -7.086 10.110 1.00 0.00 C ATOM 612 O GLN A 224 21.084 -7.525 10.713 1.00 0.00 O ATOM 613 CB GLN A 224 20.111 -9.258 8.870 1.00 0.00 C ATOM 614 CG GLN A 224 19.215 -10.425 8.486 1.00 0.00 C ATOM 615 CD GLN A 224 18.849 -10.421 7.015 1.00 0.00 C ATOM 616 OE1 GLN A 224 17.674 -10.349 6.655 1.00 0.00 O ATOM 617 NE2 GLN A 224 19.858 -10.498 6.154 1.00 0.00 N ATOM 0 H GLN A 224 18.175 -7.095 7.598 1.00 0.00 H new ATOM 0 HA GLN A 224 18.368 -8.186 9.524 1.00 0.00 H new ATOM 0 HB2 GLN A 224 20.846 -9.100 8.081 1.00 0.00 H new ATOM 0 HB3 GLN A 224 20.664 -9.517 9.773 1.00 0.00 H new ATOM 0 HG2 GLN A 224 19.719 -11.360 8.728 1.00 0.00 H new ATOM 0 HG3 GLN A 224 18.304 -10.390 9.083 1.00 0.00 H new ATOM 0 HE21 GLN A 224 20.817 -10.556 6.496 1.00 0.00 H new ATOM 0 HE22 GLN A 224 19.673 -10.499 5.151 1.00 0.00 H new ATOM 626 N CYS A 225 19.642 -5.852 10.283 1.00 0.00 N ATOM 627 CA CYS A 225 20.273 -4.922 11.211 1.00 0.00 C ATOM 628 C CYS A 225 20.065 -5.368 12.655 1.00 0.00 C ATOM 629 O CYS A 225 21.018 -5.479 13.425 1.00 0.00 O ATOM 630 CB CYS A 225 19.710 -3.513 11.015 1.00 0.00 C ATOM 631 SG CYS A 225 17.891 -3.440 10.958 1.00 0.00 S ATOM 0 H CYS A 225 18.832 -5.473 9.792 1.00 0.00 H new ATOM 0 HA CYS A 225 21.343 -4.911 11.004 1.00 0.00 H new ATOM 0 HB2 CYS A 225 20.063 -2.876 11.826 1.00 0.00 H new ATOM 0 HB3 CYS A 225 20.109 -3.100 10.089 1.00 0.00 H new ATOM 0 HG CYS A 225 17.488 -3.621 9.736 1.00 0.00 H new ATOM 636 N GLY A 226 18.811 -5.622 13.015 1.00 0.00 N ATOM 637 CA GLY A 226 18.499 -6.054 14.365 1.00 0.00 C ATOM 638 C GLY A 226 17.071 -5.735 14.761 1.00 0.00 C ATOM 639 O GLY A 226 16.436 -6.498 15.489 1.00 0.00 O ATOM 0 H GLY A 226 18.005 -5.536 12.396 1.00 0.00 H new ATOM 0 HA2 GLY A 226 18.664 -7.128 14.446 1.00 0.00 H new ATOM 0 HA3 GLY A 226 19.183 -5.573 15.064 1.00 0.00 H new ATOM 643 N VAL A 227 16.565 -4.603 14.282 1.00 0.00 N ATOM 644 CA VAL A 227 15.203 -4.184 14.591 1.00 0.00 C ATOM 645 C VAL A 227 14.252 -5.376 14.611 1.00 0.00 C ATOM 646 O VAL A 227 13.231 -5.357 15.296 1.00 0.00 O ATOM 647 CB VAL A 227 14.689 -3.149 13.572 1.00 0.00 C ATOM 648 CG1 VAL A 227 14.828 -3.682 12.154 1.00 0.00 C ATOM 649 CG2 VAL A 227 13.245 -2.779 13.872 1.00 0.00 C ATOM 0 H VAL A 227 17.078 -3.960 13.679 1.00 0.00 H new ATOM 0 HA VAL A 227 15.230 -3.727 15.580 1.00 0.00 H new ATOM 0 HB VAL A 227 15.296 -2.248 13.657 1.00 0.00 H new ATOM 0 HG11 VAL A 227 14.460 -2.938 11.448 1.00 0.00 H new ATOM 0 HG12 VAL A 227 15.877 -3.893 11.946 1.00 0.00 H new ATOM 0 HG13 VAL A 227 14.247 -4.598 12.051 1.00 0.00 H new ATOM 0 HG21 VAL A 227 12.898 -2.047 13.143 1.00 0.00 H new ATOM 0 HG22 VAL A 227 12.622 -3.671 13.816 1.00 0.00 H new ATOM 0 HG23 VAL A 227 13.179 -2.353 14.873 1.00 0.00 H new ATOM 659 N GLY A 228 14.597 -6.414 13.855 1.00 0.00 N ATOM 660 CA GLY A 228 13.765 -7.601 13.801 1.00 0.00 C ATOM 661 C GLY A 228 12.686 -7.505 12.740 1.00 0.00 C ATOM 662 O GLY A 228 12.758 -8.173 11.707 1.00 0.00 O ATOM 0 H GLY A 228 15.438 -6.454 13.279 1.00 0.00 H new ATOM 0 HA2 GLY A 228 14.391 -8.471 13.601 1.00 0.00 H new ATOM 0 HA3 GLY A 228 13.300 -7.760 14.774 1.00 0.00 H new ATOM 666 N THR A 229 11.681 -6.672 12.993 1.00 0.00 N ATOM 667 CA THR A 229 10.582 -6.493 12.053 1.00 0.00 C ATOM 668 C THR A 229 10.068 -5.058 12.075 1.00 0.00 C ATOM 669 O THR A 229 10.084 -4.398 13.114 1.00 0.00 O ATOM 670 CB THR A 229 9.415 -7.449 12.365 1.00 0.00 C ATOM 671 OG1 THR A 229 8.964 -7.250 13.709 1.00 0.00 O ATOM 672 CG2 THR A 229 9.838 -8.898 12.175 1.00 0.00 C ATOM 0 H THR A 229 11.606 -6.111 13.841 1.00 0.00 H new ATOM 0 HA THR A 229 10.974 -6.721 11.062 1.00 0.00 H new ATOM 0 HB THR A 229 8.601 -7.231 11.674 1.00 0.00 H new ATOM 0 HG1 THR A 229 8.221 -7.860 13.898 1.00 0.00 H new ATOM 0 HG21 THR A 229 8.998 -9.555 12.401 1.00 0.00 H new ATOM 0 HG22 THR A 229 10.152 -9.053 11.143 1.00 0.00 H new ATOM 0 HG23 THR A 229 10.667 -9.126 12.845 1.00 0.00 H new ATOM 680 N VAL A 230 9.611 -4.580 10.922 1.00 0.00 N ATOM 681 CA VAL A 230 9.090 -3.223 10.810 1.00 0.00 C ATOM 682 C VAL A 230 8.090 -3.111 9.664 1.00 0.00 C ATOM 683 O VAL A 230 8.248 -3.751 8.625 1.00 0.00 O ATOM 684 CB VAL A 230 10.223 -2.203 10.589 1.00 0.00 C ATOM 685 CG1 VAL A 230 10.970 -2.506 9.299 1.00 0.00 C ATOM 686 CG2 VAL A 230 9.669 -0.787 10.575 1.00 0.00 C ATOM 0 H VAL A 230 9.591 -5.113 10.052 1.00 0.00 H new ATOM 0 HA VAL A 230 8.587 -2.999 11.751 1.00 0.00 H new ATOM 0 HB VAL A 230 10.928 -2.284 11.416 1.00 0.00 H new ATOM 0 HG11 VAL A 230 11.767 -1.775 9.160 1.00 0.00 H new ATOM 0 HG12 VAL A 230 11.400 -3.506 9.354 1.00 0.00 H new ATOM 0 HG13 VAL A 230 10.279 -2.454 8.458 1.00 0.00 H new ATOM 0 HG21 VAL A 230 10.483 -0.079 10.418 1.00 0.00 H new ATOM 0 HG22 VAL A 230 8.942 -0.689 9.769 1.00 0.00 H new ATOM 0 HG23 VAL A 230 9.184 -0.577 11.528 1.00 0.00 H new ATOM 696 N ALA A 231 7.061 -2.294 9.862 1.00 0.00 N ATOM 697 CA ALA A 231 6.036 -2.096 8.845 1.00 0.00 C ATOM 698 C ALA A 231 6.662 -1.837 7.479 1.00 0.00 C ATOM 699 O ALA A 231 7.604 -1.054 7.355 1.00 0.00 O ATOM 700 CB ALA A 231 5.121 -0.945 9.235 1.00 0.00 C ATOM 0 H ALA A 231 6.915 -1.758 10.718 1.00 0.00 H new ATOM 0 HA ALA A 231 5.444 -3.009 8.778 1.00 0.00 H new ATOM 0 HB1 ALA A 231 4.360 -0.808 8.466 1.00 0.00 H new ATOM 0 HB2 ALA A 231 4.639 -1.170 10.187 1.00 0.00 H new ATOM 0 HB3 ALA A 231 5.707 -0.031 9.332 1.00 0.00 H new ATOM 706 N ARG A 232 6.133 -2.500 6.456 1.00 0.00 N ATOM 707 CA ARG A 232 6.642 -2.343 5.098 1.00 0.00 C ATOM 708 C ARG A 232 6.715 -0.869 4.713 1.00 0.00 C ATOM 709 O ARG A 232 7.635 -0.446 4.014 1.00 0.00 O ATOM 710 CB ARG A 232 5.752 -3.096 4.107 1.00 0.00 C ATOM 711 CG ARG A 232 6.230 -3.003 2.668 1.00 0.00 C ATOM 712 CD ARG A 232 5.129 -3.381 1.689 1.00 0.00 C ATOM 713 NE ARG A 232 5.523 -3.145 0.303 1.00 0.00 N ATOM 714 CZ ARG A 232 4.656 -2.946 -0.684 1.00 0.00 C ATOM 715 NH1 ARG A 232 3.353 -2.954 -0.438 1.00 0.00 N ATOM 716 NH2 ARG A 232 5.092 -2.738 -1.919 1.00 0.00 N ATOM 0 H ARG A 232 5.352 -3.151 6.541 1.00 0.00 H new ATOM 0 HA ARG A 232 7.648 -2.761 5.063 1.00 0.00 H new ATOM 0 HB2 ARG A 232 5.705 -4.145 4.398 1.00 0.00 H new ATOM 0 HB3 ARG A 232 4.738 -2.702 4.170 1.00 0.00 H new ATOM 0 HG2 ARG A 232 6.569 -1.988 2.461 1.00 0.00 H new ATOM 0 HG3 ARG A 232 7.087 -3.661 2.525 1.00 0.00 H new ATOM 0 HD2 ARG A 232 4.874 -4.433 1.819 1.00 0.00 H new ATOM 0 HD3 ARG A 232 4.231 -2.805 1.913 1.00 0.00 H new ATOM 0 HE ARG A 232 6.518 -3.132 0.080 1.00 0.00 H new ATOM 0 HH11 ARG A 232 3.014 -3.113 0.511 1.00 0.00 H new ATOM 0 HH12 ARG A 232 2.690 -2.801 -1.198 1.00 0.00 H new ATOM 0 HH21 ARG A 232 6.094 -2.731 -2.112 1.00 0.00 H new ATOM 0 HH22 ARG A 232 4.426 -2.585 -2.676 1.00 0.00 H new ATOM 730 N GLU A 233 5.740 -0.092 5.174 1.00 0.00 N ATOM 731 CA GLU A 233 5.694 1.335 4.875 1.00 0.00 C ATOM 732 C GLU A 233 6.685 2.104 5.745 1.00 0.00 C ATOM 733 O GLU A 233 7.029 3.248 5.448 1.00 0.00 O ATOM 734 CB GLU A 233 4.280 1.878 5.091 1.00 0.00 C ATOM 735 CG GLU A 233 3.804 1.782 6.530 1.00 0.00 C ATOM 736 CD GLU A 233 4.181 2.999 7.352 1.00 0.00 C ATOM 737 OE1 GLU A 233 5.082 3.749 6.924 1.00 0.00 O ATOM 738 OE2 GLU A 233 3.574 3.201 8.425 1.00 0.00 O ATOM 0 H GLU A 233 4.972 -0.426 5.756 1.00 0.00 H new ATOM 0 HA GLU A 233 5.972 1.471 3.830 1.00 0.00 H new ATOM 0 HB2 GLU A 233 4.248 2.921 4.776 1.00 0.00 H new ATOM 0 HB3 GLU A 233 3.588 1.330 4.451 1.00 0.00 H new ATOM 0 HG2 GLU A 233 2.721 1.661 6.543 1.00 0.00 H new ATOM 0 HG3 GLU A 233 4.230 0.891 6.991 1.00 0.00 H new ATOM 745 N ASP A 234 7.138 1.468 6.819 1.00 0.00 N ATOM 746 CA ASP A 234 8.089 2.091 7.732 1.00 0.00 C ATOM 747 C ASP A 234 9.524 1.770 7.325 1.00 0.00 C ATOM 748 O ASP A 234 10.450 2.521 7.631 1.00 0.00 O ATOM 749 CB ASP A 234 7.835 1.622 9.165 1.00 0.00 C ATOM 750 CG ASP A 234 6.811 2.478 9.882 1.00 0.00 C ATOM 751 OD1 ASP A 234 6.979 3.716 9.900 1.00 0.00 O ATOM 752 OD2 ASP A 234 5.840 1.911 10.425 1.00 0.00 O ATOM 0 H ASP A 234 6.862 0.521 7.079 1.00 0.00 H new ATOM 0 HA ASP A 234 7.949 3.171 7.681 1.00 0.00 H new ATOM 0 HB2 ASP A 234 7.493 0.587 9.150 1.00 0.00 H new ATOM 0 HB3 ASP A 234 8.772 1.640 9.721 1.00 0.00 H new ATOM 757 N LEU A 235 9.700 0.649 6.634 1.00 0.00 N ATOM 758 CA LEU A 235 11.023 0.227 6.185 1.00 0.00 C ATOM 759 C LEU A 235 11.762 1.378 5.510 1.00 0.00 C ATOM 760 O LEU A 235 12.936 1.634 5.775 1.00 0.00 O ATOM 761 CB LEU A 235 10.902 -0.953 5.219 1.00 0.00 C ATOM 762 CG LEU A 235 12.068 -1.943 5.221 1.00 0.00 C ATOM 763 CD1 LEU A 235 12.221 -2.585 6.591 1.00 0.00 C ATOM 764 CD2 LEU A 235 11.865 -3.007 4.152 1.00 0.00 C ATOM 0 H LEU A 235 8.944 0.016 6.372 1.00 0.00 H new ATOM 0 HA LEU A 235 11.595 -0.084 7.059 1.00 0.00 H new ATOM 0 HB2 LEU A 235 9.988 -1.498 5.455 1.00 0.00 H new ATOM 0 HB3 LEU A 235 10.787 -0.560 4.209 1.00 0.00 H new ATOM 0 HG LEU A 235 12.984 -1.397 4.994 1.00 0.00 H new ATOM 0 HD11 LEU A 235 13.055 -3.286 6.573 1.00 0.00 H new ATOM 0 HD12 LEU A 235 12.412 -1.812 7.336 1.00 0.00 H new ATOM 0 HD13 LEU A 235 11.305 -3.117 6.848 1.00 0.00 H new ATOM 0 HD21 LEU A 235 12.704 -3.703 4.167 1.00 0.00 H new ATOM 0 HD22 LEU A 235 10.940 -3.549 4.349 1.00 0.00 H new ATOM 0 HD23 LEU A 235 11.806 -2.532 3.173 1.00 0.00 H new ATOM 776 N PRO A 236 11.058 2.091 4.619 1.00 0.00 N ATOM 777 CA PRO A 236 11.626 3.229 3.890 1.00 0.00 C ATOM 778 C PRO A 236 12.362 4.198 4.809 1.00 0.00 C ATOM 779 O PRO A 236 13.561 4.424 4.657 1.00 0.00 O ATOM 780 CB PRO A 236 10.399 3.904 3.273 1.00 0.00 C ATOM 781 CG PRO A 236 9.392 2.814 3.144 1.00 0.00 C ATOM 782 CD PRO A 236 9.653 1.843 4.254 1.00 0.00 C ATOM 0 HA PRO A 236 12.369 2.913 3.157 1.00 0.00 H new ATOM 0 HB2 PRO A 236 10.030 4.711 3.907 1.00 0.00 H new ATOM 0 HB3 PRO A 236 10.634 4.343 2.303 1.00 0.00 H new ATOM 0 HG2 PRO A 236 8.380 3.214 3.211 1.00 0.00 H new ATOM 0 HG3 PRO A 236 9.477 2.323 2.174 1.00 0.00 H new ATOM 0 HD2 PRO A 236 8.985 2.013 5.098 1.00 0.00 H new ATOM 0 HD3 PRO A 236 9.500 0.814 3.929 1.00 0.00 H new ATOM 790 N GLY A 237 11.634 4.768 5.765 1.00 0.00 N ATOM 791 CA GLY A 237 12.234 5.706 6.695 1.00 0.00 C ATOM 792 C GLY A 237 13.261 5.050 7.598 1.00 0.00 C ATOM 793 O GLY A 237 14.119 5.726 8.166 1.00 0.00 O ATOM 0 H GLY A 237 10.639 4.596 5.912 1.00 0.00 H new ATOM 0 HA2 GLY A 237 12.708 6.513 6.137 1.00 0.00 H new ATOM 0 HA3 GLY A 237 11.452 6.157 7.306 1.00 0.00 H new ATOM 797 N HIS A 238 13.172 3.731 7.732 1.00 0.00 N ATOM 798 CA HIS A 238 14.100 2.984 8.573 1.00 0.00 C ATOM 799 C HIS A 238 15.447 2.814 7.878 1.00 0.00 C ATOM 800 O HIS A 238 16.497 3.100 8.455 1.00 0.00 O ATOM 801 CB HIS A 238 13.516 1.614 8.922 1.00 0.00 C ATOM 802 CG HIS A 238 14.555 0.584 9.243 1.00 0.00 C ATOM 803 ND1 HIS A 238 14.908 0.247 10.532 1.00 0.00 N ATOM 804 CD2 HIS A 238 15.319 -0.186 8.432 1.00 0.00 C ATOM 805 CE1 HIS A 238 15.844 -0.684 10.501 1.00 0.00 C ATOM 806 NE2 HIS A 238 16.111 -0.965 9.239 1.00 0.00 N ATOM 0 H HIS A 238 12.467 3.157 7.269 1.00 0.00 H new ATOM 0 HA HIS A 238 14.254 3.549 9.492 1.00 0.00 H new ATOM 0 HB2 HIS A 238 12.846 1.720 9.775 1.00 0.00 H new ATOM 0 HB3 HIS A 238 12.913 1.261 8.085 1.00 0.00 H new ATOM 0 HD1 HIS A 238 14.509 0.653 11.378 1.00 0.00 H new ATOM 0 HD2 HIS A 238 15.307 -0.187 7.352 1.00 0.00 H new ATOM 0 HE1 HIS A 238 16.312 -1.138 11.362 1.00 0.00 H new ATOM 814 N LEU A 239 15.411 2.346 6.635 1.00 0.00 N ATOM 815 CA LEU A 239 16.629 2.136 5.860 1.00 0.00 C ATOM 816 C LEU A 239 17.472 3.407 5.816 1.00 0.00 C ATOM 817 O LEU A 239 18.681 3.356 5.590 1.00 0.00 O ATOM 818 CB LEU A 239 16.283 1.691 4.438 1.00 0.00 C ATOM 819 CG LEU A 239 15.937 0.211 4.264 1.00 0.00 C ATOM 820 CD1 LEU A 239 15.266 -0.025 2.920 1.00 0.00 C ATOM 821 CD2 LEU A 239 17.186 -0.647 4.397 1.00 0.00 C ATOM 0 H LEU A 239 14.551 2.105 6.142 1.00 0.00 H new ATOM 0 HA LEU A 239 17.210 1.353 6.348 1.00 0.00 H new ATOM 0 HB2 LEU A 239 15.438 2.285 4.088 1.00 0.00 H new ATOM 0 HB3 LEU A 239 17.127 1.925 3.790 1.00 0.00 H new ATOM 0 HG LEU A 239 15.239 -0.075 5.051 1.00 0.00 H new ATOM 0 HD11 LEU A 239 15.027 -1.083 2.813 1.00 0.00 H new ATOM 0 HD12 LEU A 239 14.349 0.562 2.863 1.00 0.00 H new ATOM 0 HD13 LEU A 239 15.940 0.277 2.119 1.00 0.00 H new ATOM 0 HD21 LEU A 239 16.921 -1.697 4.271 1.00 0.00 H new ATOM 0 HD22 LEU A 239 17.908 -0.360 3.632 1.00 0.00 H new ATOM 0 HD23 LEU A 239 17.625 -0.500 5.384 1.00 0.00 H new ATOM 833 N LYS A 240 16.825 4.547 6.035 1.00 0.00 N ATOM 834 CA LYS A 240 17.514 5.832 6.024 1.00 0.00 C ATOM 835 C LYS A 240 18.665 5.841 7.024 1.00 0.00 C ATOM 836 O LYS A 240 19.833 5.900 6.640 1.00 0.00 O ATOM 837 CB LYS A 240 16.534 6.962 6.348 1.00 0.00 C ATOM 838 CG LYS A 240 15.863 7.557 5.121 1.00 0.00 C ATOM 839 CD LYS A 240 14.675 8.424 5.501 1.00 0.00 C ATOM 840 CE LYS A 240 15.119 9.790 6.001 1.00 0.00 C ATOM 841 NZ LYS A 240 15.528 10.684 4.882 1.00 0.00 N ATOM 0 H LYS A 240 15.824 4.607 6.222 1.00 0.00 H new ATOM 0 HA LYS A 240 17.922 5.988 5.026 1.00 0.00 H new ATOM 0 HB2 LYS A 240 15.767 6.584 7.024 1.00 0.00 H new ATOM 0 HB3 LYS A 240 17.066 7.751 6.880 1.00 0.00 H new ATOM 0 HG2 LYS A 240 16.585 8.152 4.563 1.00 0.00 H new ATOM 0 HG3 LYS A 240 15.533 6.755 4.461 1.00 0.00 H new ATOM 0 HD2 LYS A 240 14.021 8.546 4.637 1.00 0.00 H new ATOM 0 HD3 LYS A 240 14.091 7.924 6.274 1.00 0.00 H new ATOM 0 HE2 LYS A 240 14.306 10.255 6.558 1.00 0.00 H new ATOM 0 HE3 LYS A 240 15.952 9.670 6.693 1.00 0.00 H new ATOM 0 HZ1 LYS A 240 15.726 11.635 5.252 1.00 0.00 H new ATOM 0 HZ2 LYS A 240 16.383 10.304 4.429 1.00 0.00 H new ATOM 0 HZ3 LYS A 240 14.760 10.738 4.182 1.00 0.00 H new ATOM 855 N ASP A 241 18.328 5.781 8.308 1.00 0.00 N ATOM 856 CA ASP A 241 19.334 5.780 9.363 1.00 0.00 C ATOM 857 C ASP A 241 19.129 4.599 10.308 1.00 0.00 C ATOM 858 O ASP A 241 20.066 3.857 10.603 1.00 0.00 O ATOM 859 CB ASP A 241 19.283 7.091 10.148 1.00 0.00 C ATOM 860 CG ASP A 241 19.976 8.228 9.422 1.00 0.00 C ATOM 861 OD1 ASP A 241 20.080 8.161 8.180 1.00 0.00 O ATOM 862 OD2 ASP A 241 20.414 9.183 10.096 1.00 0.00 O ATOM 0 H ASP A 241 17.366 5.732 8.643 1.00 0.00 H new ATOM 0 HA ASP A 241 20.314 5.684 8.896 1.00 0.00 H new ATOM 0 HB2 ASP A 241 18.243 7.361 10.331 1.00 0.00 H new ATOM 0 HB3 ASP A 241 19.751 6.947 11.122 1.00 0.00 H new ATOM 867 N SER A 242 17.898 4.432 10.780 1.00 0.00 N ATOM 868 CA SER A 242 17.571 3.345 11.695 1.00 0.00 C ATOM 869 C SER A 242 18.441 2.123 11.419 1.00 0.00 C ATOM 870 O SER A 242 19.250 1.721 12.256 1.00 0.00 O ATOM 871 CB SER A 242 16.092 2.971 11.568 1.00 0.00 C ATOM 872 OG SER A 242 15.267 3.939 12.194 1.00 0.00 O ATOM 0 H SER A 242 17.110 5.036 10.544 1.00 0.00 H new ATOM 0 HA SER A 242 17.766 3.687 12.711 1.00 0.00 H new ATOM 0 HB2 SER A 242 15.824 2.886 10.515 1.00 0.00 H new ATOM 0 HB3 SER A 242 15.920 1.994 12.020 1.00 0.00 H new ATOM 0 HG SER A 242 14.327 3.679 12.098 1.00 0.00 H new ATOM 878 N CYS A 243 18.269 1.536 10.240 1.00 0.00 N ATOM 879 CA CYS A 243 19.038 0.359 9.852 1.00 0.00 C ATOM 880 C CYS A 243 20.512 0.530 10.207 1.00 0.00 C ATOM 881 O CYS A 243 20.951 1.621 10.569 1.00 0.00 O ATOM 882 CB CYS A 243 18.890 0.099 8.351 1.00 0.00 C ATOM 883 SG CYS A 243 19.255 -1.615 7.854 1.00 0.00 S ATOM 0 H CYS A 243 17.604 1.856 9.536 1.00 0.00 H new ATOM 0 HA CYS A 243 18.647 -0.497 10.403 1.00 0.00 H new ATOM 0 HB2 CYS A 243 17.872 0.344 8.049 1.00 0.00 H new ATOM 0 HB3 CYS A 243 19.554 0.772 7.809 1.00 0.00 H new ATOM 0 HG CYS A 243 18.145 -2.285 7.760 1.00 0.00 H new