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 134:sc= -0.253 USER MOD Set 1.2: A 223 ASN : amide:sc= 0.0237 K(o=-5.3,f=-7.2) USER MOD Set 1.3: A 225 CYS SG : rot -84:sc= -2.68! USER MOD Set 1.4: A 238 HIS : no HE2:sc= -2.33 K(o=-5.3,f=-7.6!) USER MOD Set 1.5: A 243 CYS SG : rot 46:sc= -0.0282 USER MOD Set 2.1: A 195 CYS SG : rot 110:sc= 0.218 USER MOD Set 2.2: A 198 CYS SG : rot -60:sc= -1.99 USER MOD Set 2.3: A 210 HIS : no HD1:sc= 0.0052 K(o=-1.4,f=-2.5) USER MOD Set 2.4: A 214 CYS SG : rot 143:sc= 0.409 USER MOD Single : A 192 THR OG1 : rot -30:sc= 0.196 USER MOD Single : A 193 GLN : amide:sc= -3.83! C(o=-3.8!,f=-5.5!) 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 18:sc= 0.387 USER MOD Single : A 200 LYS NZ :NH3+ 153:sc= -0.179 (180deg=-0.879) USER MOD Single : A 206 THR OG1 : rot 180:sc= -0.154 USER MOD Single : A 208 GLN : amide:sc= -0.444 X(o=-0.44,f=-0.44) USER MOD Single : A 209 SER OG : rot 180:sc= 0 USER MOD Single : A 211 GLN : amide:sc= -0.0964 K(o=-0.096,f=-0.76) USER MOD Single : A 212 TYR OH : rot 180:sc= 0 USER MOD Single : A 213 GLN : amide:sc= -0.987 K(o=-0.99,f=-2.7!) USER MOD Single : A 224 GLN : amide:sc= -0.112 K(o=-0.11,f=-2.1!) USER MOD Single : A 229 THR OG1 : rot 180:sc= 0 USER MOD Single : A 240 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 242 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 112 N THR A 192 -17.099 -9.369 5.627 1.00 0.00 N ATOM 113 CA THR A 192 -15.804 -8.702 5.596 1.00 0.00 C ATOM 114 C THR A 192 -15.065 -8.874 6.918 1.00 0.00 C ATOM 115 O THR A 192 -15.680 -8.907 7.983 1.00 0.00 O ATOM 116 CB THR A 192 -15.954 -7.198 5.297 1.00 0.00 C ATOM 117 OG1 THR A 192 -16.944 -6.624 6.157 1.00 0.00 O ATOM 118 CG2 THR A 192 -16.343 -6.972 3.844 1.00 0.00 C ATOM 0 HA THR A 192 -15.227 -9.168 4.797 1.00 0.00 H new ATOM 0 HB THR A 192 -14.993 -6.716 5.478 1.00 0.00 H new ATOM 0 HG1 THR A 192 -17.613 -7.303 6.385 1.00 0.00 H new ATOM 0 HG21 THR A 192 -16.443 -5.903 3.656 1.00 0.00 H new ATOM 0 HG22 THR A 192 -15.572 -7.384 3.193 1.00 0.00 H new ATOM 0 HG23 THR A 192 -17.293 -7.467 3.640 1.00 0.00 H new ATOM 126 N GLN A 193 -13.742 -8.982 6.842 1.00 0.00 N ATOM 127 CA GLN A 193 -12.920 -9.151 8.034 1.00 0.00 C ATOM 128 C GLN A 193 -12.088 -7.901 8.303 1.00 0.00 C ATOM 129 O GLN A 193 -11.203 -7.537 7.529 1.00 0.00 O ATOM 130 CB GLN A 193 -12.003 -10.365 7.879 1.00 0.00 C ATOM 131 CG GLN A 193 -11.437 -10.872 9.195 1.00 0.00 C ATOM 132 CD GLN A 193 -10.554 -9.850 9.883 1.00 0.00 C ATOM 133 OE1 GLN A 193 -10.980 -9.174 10.820 1.00 0.00 O ATOM 134 NE2 GLN A 193 -9.314 -9.731 9.421 1.00 0.00 N ATOM 0 H GLN A 193 -13.217 -8.955 5.968 1.00 0.00 H new ATOM 0 HA GLN A 193 -13.584 -9.313 8.883 1.00 0.00 H new ATOM 0 HB2 GLN A 193 -12.558 -11.170 7.398 1.00 0.00 H new ATOM 0 HB3 GLN A 193 -11.179 -10.105 7.215 1.00 0.00 H new ATOM 0 HG2 GLN A 193 -12.258 -11.143 9.859 1.00 0.00 H new ATOM 0 HG3 GLN A 193 -10.862 -11.780 9.013 1.00 0.00 H new ATOM 0 HE21 GLN A 193 -9.002 -10.311 8.642 1.00 0.00 H new ATOM 0 HE22 GLN A 193 -8.674 -9.059 9.845 1.00 0.00 H new ATOM 143 N PRO A 194 -12.377 -7.227 9.426 1.00 0.00 N ATOM 144 CA PRO A 194 -11.667 -6.008 9.823 1.00 0.00 C ATOM 145 C PRO A 194 -10.228 -6.286 10.244 1.00 0.00 C ATOM 146 O PRO A 194 -9.966 -6.659 11.388 1.00 0.00 O ATOM 147 CB PRO A 194 -12.482 -5.494 11.012 1.00 0.00 C ATOM 148 CG PRO A 194 -13.145 -6.706 11.569 1.00 0.00 C ATOM 149 CD PRO A 194 -13.420 -7.604 10.395 1.00 0.00 C ATOM 0 HA PRO A 194 -11.590 -5.296 9.002 1.00 0.00 H new ATOM 0 HB2 PRO A 194 -11.842 -5.017 11.754 1.00 0.00 H new ATOM 0 HB3 PRO A 194 -13.215 -4.751 10.698 1.00 0.00 H new ATOM 0 HG2 PRO A 194 -12.503 -7.202 12.298 1.00 0.00 H new ATOM 0 HG3 PRO A 194 -14.069 -6.443 12.084 1.00 0.00 H new ATOM 0 HD2 PRO A 194 -13.352 -8.657 10.670 1.00 0.00 H new ATOM 0 HD3 PRO A 194 -14.420 -7.444 9.992 1.00 0.00 H new ATOM 157 N CYS A 195 -9.298 -6.104 9.313 1.00 0.00 N ATOM 158 CA CYS A 195 -7.885 -6.335 9.587 1.00 0.00 C ATOM 159 C CYS A 195 -7.444 -5.584 10.840 1.00 0.00 C ATOM 160 O CYS A 195 -7.754 -4.405 11.013 1.00 0.00 O ATOM 161 CB CYS A 195 -7.034 -5.900 8.392 1.00 0.00 C ATOM 162 SG CYS A 195 -5.293 -6.429 8.486 1.00 0.00 S ATOM 0 H CYS A 195 -9.498 -5.797 8.361 1.00 0.00 H new ATOM 0 HA CYS A 195 -7.743 -7.402 9.756 1.00 0.00 H new ATOM 0 HB2 CYS A 195 -7.476 -6.301 7.480 1.00 0.00 H new ATOM 0 HB3 CYS A 195 -7.069 -4.814 8.311 1.00 0.00 H new ATOM 0 HG CYS A 195 -5.070 -7.349 7.595 1.00 0.00 H new ATOM 167 N THR A 196 -6.717 -6.275 11.712 1.00 0.00 N ATOM 168 CA THR A 196 -6.233 -5.675 12.949 1.00 0.00 C ATOM 169 C THR A 196 -4.940 -4.902 12.717 1.00 0.00 C ATOM 170 O THR A 196 -4.483 -4.162 13.588 1.00 0.00 O ATOM 171 CB THR A 196 -5.992 -6.742 14.034 1.00 0.00 C ATOM 172 OG1 THR A 196 -7.243 -7.266 14.492 1.00 0.00 O ATOM 173 CG2 THR A 196 -5.222 -6.155 15.208 1.00 0.00 C ATOM 0 H THR A 196 -6.450 -7.251 11.584 1.00 0.00 H new ATOM 0 HA THR A 196 -7.007 -4.988 13.290 1.00 0.00 H new ATOM 0 HB THR A 196 -5.400 -7.546 13.597 1.00 0.00 H new ATOM 0 HG1 THR A 196 -7.081 -7.945 15.180 1.00 0.00 H new ATOM 0 HG21 THR A 196 -5.064 -6.927 15.961 1.00 0.00 H new ATOM 0 HG22 THR A 196 -4.258 -5.783 14.861 1.00 0.00 H new ATOM 0 HG23 THR A 196 -5.792 -5.334 15.643 1.00 0.00 H new ATOM 181 N TYR A 197 -4.356 -5.077 11.537 1.00 0.00 N ATOM 182 CA TYR A 197 -3.114 -4.396 11.191 1.00 0.00 C ATOM 183 C TYR A 197 -3.394 -3.012 10.614 1.00 0.00 C ATOM 184 O TYR A 197 -3.037 -1.994 11.209 1.00 0.00 O ATOM 185 CB TYR A 197 -2.316 -5.227 10.185 1.00 0.00 C ATOM 186 CG TYR A 197 -1.554 -6.372 10.815 1.00 0.00 C ATOM 187 CD1 TYR A 197 -2.225 -7.446 11.388 1.00 0.00 C ATOM 188 CD2 TYR A 197 -0.165 -6.379 10.838 1.00 0.00 C ATOM 189 CE1 TYR A 197 -1.533 -8.493 11.965 1.00 0.00 C ATOM 190 CE2 TYR A 197 0.534 -7.423 11.412 1.00 0.00 C ATOM 191 CZ TYR A 197 -0.154 -8.478 11.974 1.00 0.00 C ATOM 192 OH TYR A 197 0.539 -9.519 12.548 1.00 0.00 O ATOM 0 H TYR A 197 -4.722 -5.684 10.804 1.00 0.00 H new ATOM 0 HA TYR A 197 -2.528 -4.278 12.102 1.00 0.00 H new ATOM 0 HB2 TYR A 197 -2.998 -5.625 9.433 1.00 0.00 H new ATOM 0 HB3 TYR A 197 -1.613 -4.576 9.665 1.00 0.00 H new ATOM 0 HD1 TYR A 197 -3.305 -7.462 11.382 1.00 0.00 H new ATOM 0 HD2 TYR A 197 0.377 -5.554 10.400 1.00 0.00 H new ATOM 0 HE1 TYR A 197 -2.069 -9.320 12.407 1.00 0.00 H new ATOM 0 HE2 TYR A 197 1.614 -7.413 11.421 1.00 0.00 H new ATOM 0 HH TYR A 197 1.502 -9.354 12.469 1.00 0.00 H new ATOM 202 N CYS A 198 -4.037 -2.981 9.451 1.00 0.00 N ATOM 203 CA CYS A 198 -4.367 -1.723 8.792 1.00 0.00 C ATOM 204 C CYS A 198 -5.671 -1.148 9.338 1.00 0.00 C ATOM 205 O CYS A 198 -6.131 -0.094 8.898 1.00 0.00 O ATOM 206 CB CYS A 198 -4.482 -1.930 7.281 1.00 0.00 C ATOM 207 SG CYS A 198 -5.678 -3.215 6.795 1.00 0.00 S ATOM 0 H CYS A 198 -4.340 -3.814 8.945 1.00 0.00 H new ATOM 0 HA CYS A 198 -3.565 -1.014 8.995 1.00 0.00 H new ATOM 0 HB2 CYS A 198 -4.770 -0.987 6.817 1.00 0.00 H new ATOM 0 HB3 CYS A 198 -3.501 -2.194 6.886 1.00 0.00 H new ATOM 0 HG CYS A 198 -5.326 -4.354 7.313 1.00 0.00 H new ATOM 212 N THR A 199 -6.262 -1.849 10.301 1.00 0.00 N ATOM 213 CA THR A 199 -7.513 -1.410 10.907 1.00 0.00 C ATOM 214 C THR A 199 -8.543 -1.050 9.843 1.00 0.00 C ATOM 215 O THR A 199 -9.359 -0.148 10.033 1.00 0.00 O ATOM 216 CB THR A 199 -7.295 -0.193 11.826 1.00 0.00 C ATOM 217 OG1 THR A 199 -6.797 0.913 11.065 1.00 0.00 O ATOM 218 CG2 THR A 199 -6.319 -0.526 12.944 1.00 0.00 C ATOM 0 H THR A 199 -5.894 -2.723 10.678 1.00 0.00 H new ATOM 0 HA THR A 199 -7.885 -2.244 11.502 1.00 0.00 H new ATOM 0 HB THR A 199 -8.254 0.074 12.270 1.00 0.00 H new ATOM 0 HG1 THR A 199 -6.969 0.759 10.113 1.00 0.00 H new ATOM 0 HG21 THR A 199 -6.181 0.349 13.579 1.00 0.00 H new ATOM 0 HG22 THR A 199 -6.715 -1.348 13.540 1.00 0.00 H new ATOM 0 HG23 THR A 199 -5.360 -0.817 12.515 1.00 0.00 H new ATOM 226 N LYS A 200 -8.502 -1.762 8.722 1.00 0.00 N ATOM 227 CA LYS A 200 -9.433 -1.520 7.627 1.00 0.00 C ATOM 228 C LYS A 200 -10.448 -2.654 7.515 1.00 0.00 C ATOM 229 O LYS A 200 -10.471 -3.561 8.346 1.00 0.00 O ATOM 230 CB LYS A 200 -8.673 -1.371 6.307 1.00 0.00 C ATOM 231 CG LYS A 200 -7.854 -0.095 6.218 1.00 0.00 C ATOM 232 CD LYS A 200 -8.637 1.026 5.556 1.00 0.00 C ATOM 233 CE LYS A 200 -9.370 1.876 6.583 1.00 0.00 C ATOM 234 NZ LYS A 200 -8.431 2.515 7.546 1.00 0.00 N ATOM 0 H LYS A 200 -7.833 -2.512 8.548 1.00 0.00 H new ATOM 0 HA LYS A 200 -9.969 -0.595 7.837 1.00 0.00 H new ATOM 0 HB2 LYS A 200 -8.011 -2.227 6.180 1.00 0.00 H new ATOM 0 HB3 LYS A 200 -9.386 -1.394 5.482 1.00 0.00 H new ATOM 0 HG2 LYS A 200 -7.550 0.214 7.218 1.00 0.00 H new ATOM 0 HG3 LYS A 200 -6.942 -0.286 5.653 1.00 0.00 H new ATOM 0 HD2 LYS A 200 -7.958 1.655 4.980 1.00 0.00 H new ATOM 0 HD3 LYS A 200 -9.355 0.604 4.853 1.00 0.00 H new ATOM 0 HE2 LYS A 200 -9.946 2.647 6.072 1.00 0.00 H new ATOM 0 HE3 LYS A 200 -10.081 1.255 7.127 1.00 0.00 H new ATOM 0 HZ1 LYS A 200 -8.852 3.393 7.911 1.00 0.00 H new ATOM 0 HZ2 LYS A 200 -8.248 1.864 8.336 1.00 0.00 H new ATOM 0 HZ3 LYS A 200 -7.536 2.735 7.064 1.00 0.00 H new ATOM 248 N GLU A 201 -11.284 -2.595 6.483 1.00 0.00 N ATOM 249 CA GLU A 201 -12.300 -3.617 6.264 1.00 0.00 C ATOM 250 C GLU A 201 -12.223 -4.165 4.842 1.00 0.00 C ATOM 251 O GLU A 201 -12.264 -3.409 3.871 1.00 0.00 O ATOM 252 CB GLU A 201 -13.695 -3.047 6.528 1.00 0.00 C ATOM 253 CG GLU A 201 -13.840 -2.403 7.896 1.00 0.00 C ATOM 254 CD GLU A 201 -14.351 -3.372 8.945 1.00 0.00 C ATOM 255 OE1 GLU A 201 -14.431 -4.582 8.647 1.00 0.00 O ATOM 256 OE2 GLU A 201 -14.671 -2.919 10.064 1.00 0.00 O ATOM 0 H GLU A 201 -11.277 -1.850 5.786 1.00 0.00 H new ATOM 0 HA GLU A 201 -12.112 -4.434 6.961 1.00 0.00 H new ATOM 0 HB2 GLU A 201 -13.927 -2.308 5.761 1.00 0.00 H new ATOM 0 HB3 GLU A 201 -14.429 -3.847 6.433 1.00 0.00 H new ATOM 0 HG2 GLU A 201 -12.875 -2.007 8.212 1.00 0.00 H new ATOM 0 HG3 GLU A 201 -14.523 -1.557 7.825 1.00 0.00 H new ATOM 263 N PHE A 202 -12.110 -5.484 4.727 1.00 0.00 N ATOM 264 CA PHE A 202 -12.026 -6.134 3.424 1.00 0.00 C ATOM 265 C PHE A 202 -12.869 -7.406 3.395 1.00 0.00 C ATOM 266 O PHE A 202 -13.371 -7.855 4.426 1.00 0.00 O ATOM 267 CB PHE A 202 -10.570 -6.466 3.090 1.00 0.00 C ATOM 268 CG PHE A 202 -9.725 -5.254 2.823 1.00 0.00 C ATOM 269 CD1 PHE A 202 -9.638 -4.721 1.547 1.00 0.00 C ATOM 270 CD2 PHE A 202 -9.018 -4.646 3.848 1.00 0.00 C ATOM 271 CE1 PHE A 202 -8.860 -3.606 1.298 1.00 0.00 C ATOM 272 CE2 PHE A 202 -8.239 -3.530 3.606 1.00 0.00 C ATOM 273 CZ PHE A 202 -8.161 -3.009 2.329 1.00 0.00 C ATOM 0 H PHE A 202 -12.074 -6.124 5.520 1.00 0.00 H new ATOM 0 HA PHE A 202 -12.416 -5.444 2.675 1.00 0.00 H new ATOM 0 HB2 PHE A 202 -10.135 -7.027 3.917 1.00 0.00 H new ATOM 0 HB3 PHE A 202 -10.545 -7.116 2.215 1.00 0.00 H new ATOM 0 HD1 PHE A 202 -10.184 -5.182 0.738 1.00 0.00 H new ATOM 0 HD2 PHE A 202 -9.076 -5.049 4.848 1.00 0.00 H new ATOM 0 HE1 PHE A 202 -8.799 -3.202 0.298 1.00 0.00 H new ATOM 0 HE2 PHE A 202 -7.692 -3.066 4.414 1.00 0.00 H new ATOM 0 HZ PHE A 202 -7.554 -2.136 2.137 1.00 0.00 H new ATOM 283 N VAL A 203 -13.021 -7.981 2.207 1.00 0.00 N ATOM 284 CA VAL A 203 -13.802 -9.201 2.042 1.00 0.00 C ATOM 285 C VAL A 203 -13.115 -10.388 2.708 1.00 0.00 C ATOM 286 O VAL A 203 -11.887 -10.465 2.750 1.00 0.00 O ATOM 287 CB VAL A 203 -14.031 -9.524 0.553 1.00 0.00 C ATOM 288 CG1 VAL A 203 -15.133 -10.560 0.395 1.00 0.00 C ATOM 289 CG2 VAL A 203 -14.363 -8.257 -0.221 1.00 0.00 C ATOM 0 H VAL A 203 -12.613 -7.621 1.344 1.00 0.00 H new ATOM 0 HA VAL A 203 -14.766 -9.027 2.521 1.00 0.00 H new ATOM 0 HB VAL A 203 -13.111 -9.942 0.143 1.00 0.00 H new ATOM 0 HG11 VAL A 203 -15.281 -10.776 -0.663 1.00 0.00 H new ATOM 0 HG12 VAL A 203 -14.850 -11.475 0.916 1.00 0.00 H new ATOM 0 HG13 VAL A 203 -16.060 -10.173 0.819 1.00 0.00 H new ATOM 0 HG21 VAL A 203 -14.522 -8.503 -1.271 1.00 0.00 H new ATOM 0 HG22 VAL A 203 -15.268 -7.808 0.187 1.00 0.00 H new ATOM 0 HG23 VAL A 203 -13.537 -7.551 -0.135 1.00 0.00 H new ATOM 299 N PHE A 204 -13.916 -11.311 3.229 1.00 0.00 N ATOM 300 CA PHE A 204 -13.386 -12.496 3.895 1.00 0.00 C ATOM 301 C PHE A 204 -12.557 -13.338 2.929 1.00 0.00 C ATOM 302 O PHE A 204 -11.666 -14.079 3.342 1.00 0.00 O ATOM 303 CB PHE A 204 -14.527 -13.336 4.472 1.00 0.00 C ATOM 304 CG PHE A 204 -14.981 -14.438 3.559 1.00 0.00 C ATOM 305 CD1 PHE A 204 -14.378 -15.685 3.603 1.00 0.00 C ATOM 306 CD2 PHE A 204 -16.011 -14.228 2.657 1.00 0.00 C ATOM 307 CE1 PHE A 204 -14.793 -16.701 2.763 1.00 0.00 C ATOM 308 CE2 PHE A 204 -16.431 -15.241 1.814 1.00 0.00 C ATOM 309 CZ PHE A 204 -15.822 -16.479 1.869 1.00 0.00 C ATOM 0 H PHE A 204 -14.934 -11.262 3.203 1.00 0.00 H new ATOM 0 HA PHE A 204 -12.740 -12.166 4.708 1.00 0.00 H new ATOM 0 HB2 PHE A 204 -14.206 -13.769 5.419 1.00 0.00 H new ATOM 0 HB3 PHE A 204 -15.373 -12.684 4.690 1.00 0.00 H new ATOM 0 HD1 PHE A 204 -13.574 -15.865 4.302 1.00 0.00 H new ATOM 0 HD2 PHE A 204 -16.492 -13.262 2.611 1.00 0.00 H new ATOM 0 HE1 PHE A 204 -14.313 -17.668 2.806 1.00 0.00 H new ATOM 0 HE2 PHE A 204 -17.234 -15.064 1.114 1.00 0.00 H new ATOM 0 HZ PHE A 204 -16.150 -17.273 1.214 1.00 0.00 H new ATOM 319 N ASP A 205 -12.860 -13.218 1.641 1.00 0.00 N ATOM 320 CA ASP A 205 -12.143 -13.967 0.615 1.00 0.00 C ATOM 321 C ASP A 205 -10.788 -13.331 0.324 1.00 0.00 C ATOM 322 O ASP A 205 -9.777 -14.025 0.201 1.00 0.00 O ATOM 323 CB ASP A 205 -12.973 -14.037 -0.668 1.00 0.00 C ATOM 324 CG ASP A 205 -12.585 -15.211 -1.545 1.00 0.00 C ATOM 325 OD1 ASP A 205 -11.498 -15.161 -2.157 1.00 0.00 O ATOM 326 OD2 ASP A 205 -13.370 -16.180 -1.621 1.00 0.00 O ATOM 0 H ASP A 205 -13.596 -12.610 1.283 1.00 0.00 H new ATOM 0 HA ASP A 205 -11.977 -14.978 0.988 1.00 0.00 H new ATOM 0 HB2 ASP A 205 -14.029 -14.113 -0.410 1.00 0.00 H new ATOM 0 HB3 ASP A 205 -12.848 -13.111 -1.229 1.00 0.00 H new ATOM 331 N THR A 206 -10.772 -12.006 0.215 1.00 0.00 N ATOM 332 CA THR A 206 -9.541 -11.277 -0.063 1.00 0.00 C ATOM 333 C THR A 206 -8.636 -11.239 1.163 1.00 0.00 C ATOM 334 O THR A 206 -7.443 -11.534 1.074 1.00 0.00 O ATOM 335 CB THR A 206 -9.834 -9.834 -0.516 1.00 0.00 C ATOM 336 OG1 THR A 206 -10.479 -9.111 0.538 1.00 0.00 O ATOM 337 CG2 THR A 206 -10.714 -9.824 -1.757 1.00 0.00 C ATOM 0 H THR A 206 -11.598 -11.416 0.315 1.00 0.00 H new ATOM 0 HA THR A 206 -9.034 -11.807 -0.869 1.00 0.00 H new ATOM 0 HB THR A 206 -8.886 -9.354 -0.758 1.00 0.00 H new ATOM 0 HG1 THR A 206 -10.660 -8.194 0.243 1.00 0.00 H new ATOM 0 HG21 THR A 206 -10.907 -8.794 -2.058 1.00 0.00 H new ATOM 0 HG22 THR A 206 -10.207 -10.350 -2.566 1.00 0.00 H new ATOM 0 HG23 THR A 206 -11.659 -10.321 -1.537 1.00 0.00 H new ATOM 345 N ILE A 207 -9.209 -10.875 2.305 1.00 0.00 N ATOM 346 CA ILE A 207 -8.453 -10.801 3.549 1.00 0.00 C ATOM 347 C ILE A 207 -7.359 -11.862 3.591 1.00 0.00 C ATOM 348 O ILE A 207 -6.275 -11.628 4.124 1.00 0.00 O ATOM 349 CB ILE A 207 -9.368 -10.974 4.775 1.00 0.00 C ATOM 350 CG1 ILE A 207 -8.643 -10.528 6.047 1.00 0.00 C ATOM 351 CG2 ILE A 207 -9.822 -12.421 4.897 1.00 0.00 C ATOM 352 CD1 ILE A 207 -8.815 -9.057 6.356 1.00 0.00 C ATOM 0 H ILE A 207 -10.194 -10.627 2.395 1.00 0.00 H new ATOM 0 HA ILE A 207 -7.997 -9.811 3.583 1.00 0.00 H new ATOM 0 HB ILE A 207 -10.250 -10.347 4.643 1.00 0.00 H new ATOM 0 HG12 ILE A 207 -9.011 -11.113 6.890 1.00 0.00 H new ATOM 0 HG13 ILE A 207 -7.580 -10.748 5.946 1.00 0.00 H new ATOM 0 HG21 ILE A 207 -10.468 -12.527 5.768 1.00 0.00 H new ATOM 0 HG22 ILE A 207 -10.372 -12.707 4.000 1.00 0.00 H new ATOM 0 HG23 ILE A 207 -8.951 -13.067 5.010 1.00 0.00 H new ATOM 0 HD11 ILE A 207 -8.275 -8.812 7.270 1.00 0.00 H new ATOM 0 HD12 ILE A 207 -8.421 -8.463 5.531 1.00 0.00 H new ATOM 0 HD13 ILE A 207 -9.874 -8.835 6.489 1.00 0.00 H new ATOM 364 N GLN A 208 -7.651 -13.028 3.024 1.00 0.00 N ATOM 365 CA GLN A 208 -6.691 -14.125 2.996 1.00 0.00 C ATOM 366 C GLN A 208 -5.402 -13.703 2.299 1.00 0.00 C ATOM 367 O GLN A 208 -4.312 -13.825 2.859 1.00 0.00 O ATOM 368 CB GLN A 208 -7.293 -15.340 2.289 1.00 0.00 C ATOM 369 CG GLN A 208 -8.216 -16.163 3.173 1.00 0.00 C ATOM 370 CD GLN A 208 -7.560 -16.581 4.474 1.00 0.00 C ATOM 371 OE1 GLN A 208 -8.036 -16.245 5.559 1.00 0.00 O ATOM 372 NE2 GLN A 208 -6.459 -17.317 4.372 1.00 0.00 N ATOM 0 H GLN A 208 -8.544 -13.237 2.578 1.00 0.00 H new ATOM 0 HA GLN A 208 -6.454 -14.393 4.026 1.00 0.00 H new ATOM 0 HB2 GLN A 208 -7.848 -15.002 1.414 1.00 0.00 H new ATOM 0 HB3 GLN A 208 -6.485 -15.977 1.929 1.00 0.00 H new ATOM 0 HG2 GLN A 208 -9.113 -15.584 3.393 1.00 0.00 H new ATOM 0 HG3 GLN A 208 -8.535 -17.052 2.630 1.00 0.00 H new ATOM 0 HE21 GLN A 208 -6.100 -17.572 3.452 1.00 0.00 H new ATOM 0 HE22 GLN A 208 -5.973 -17.627 5.213 1.00 0.00 H new ATOM 381 N SER A 209 -5.533 -13.207 1.073 1.00 0.00 N ATOM 382 CA SER A 209 -4.378 -12.771 0.297 1.00 0.00 C ATOM 383 C SER A 209 -3.907 -11.393 0.752 1.00 0.00 C ATOM 384 O SER A 209 -2.707 -11.139 0.861 1.00 0.00 O ATOM 385 CB SER A 209 -4.722 -12.738 -1.194 1.00 0.00 C ATOM 386 OG SER A 209 -4.434 -13.981 -1.811 1.00 0.00 O ATOM 0 H SER A 209 -6.428 -13.097 0.596 1.00 0.00 H new ATOM 0 HA SER A 209 -3.571 -13.485 0.461 1.00 0.00 H new ATOM 0 HB2 SER A 209 -5.778 -12.501 -1.322 1.00 0.00 H new ATOM 0 HB3 SER A 209 -4.156 -11.945 -1.684 1.00 0.00 H new ATOM 0 HG SER A 209 -4.664 -13.935 -2.763 1.00 0.00 H new ATOM 392 N HIS A 210 -4.861 -10.506 1.017 1.00 0.00 N ATOM 393 CA HIS A 210 -4.545 -9.153 1.461 1.00 0.00 C ATOM 394 C HIS A 210 -3.450 -9.172 2.524 1.00 0.00 C ATOM 395 O HIS A 210 -2.494 -8.399 2.456 1.00 0.00 O ATOM 396 CB HIS A 210 -5.796 -8.469 2.014 1.00 0.00 C ATOM 397 CG HIS A 210 -5.503 -7.432 3.053 1.00 0.00 C ATOM 398 ND1 HIS A 210 -5.197 -6.123 2.745 1.00 0.00 N ATOM 399 CD2 HIS A 210 -5.471 -7.516 4.404 1.00 0.00 C ATOM 400 CE1 HIS A 210 -4.988 -5.448 3.861 1.00 0.00 C ATOM 401 NE2 HIS A 210 -5.149 -6.270 4.882 1.00 0.00 N ATOM 0 H HIS A 210 -5.859 -10.700 0.932 1.00 0.00 H new ATOM 0 HA HIS A 210 -4.183 -8.590 0.601 1.00 0.00 H new ATOM 0 HB2 HIS A 210 -6.339 -8.004 1.191 1.00 0.00 H new ATOM 0 HB3 HIS A 210 -6.454 -9.225 2.443 1.00 0.00 H new ATOM 0 HD2 HIS A 210 -5.663 -8.399 4.996 1.00 0.00 H new ATOM 0 HE1 HIS A 210 -4.729 -4.402 3.927 1.00 0.00 H new ATOM 0 HE2 HIS A 210 -5.050 -6.020 5.866 1.00 0.00 H new ATOM 409 N GLN A 211 -3.598 -10.058 3.503 1.00 0.00 N ATOM 410 CA GLN A 211 -2.622 -10.175 4.580 1.00 0.00 C ATOM 411 C GLN A 211 -1.207 -9.948 4.059 1.00 0.00 C ATOM 412 O GLN A 211 -0.384 -9.319 4.724 1.00 0.00 O ATOM 413 CB GLN A 211 -2.721 -11.552 5.239 1.00 0.00 C ATOM 414 CG GLN A 211 -3.866 -11.671 6.232 1.00 0.00 C ATOM 415 CD GLN A 211 -3.608 -12.717 7.298 1.00 0.00 C ATOM 416 OE1 GLN A 211 -2.493 -12.840 7.807 1.00 0.00 O ATOM 417 NE2 GLN A 211 -4.639 -13.479 7.643 1.00 0.00 N ATOM 0 H GLN A 211 -4.384 -10.705 3.573 1.00 0.00 H new ATOM 0 HA GLN A 211 -2.844 -9.408 5.322 1.00 0.00 H new ATOM 0 HB2 GLN A 211 -2.843 -12.308 4.464 1.00 0.00 H new ATOM 0 HB3 GLN A 211 -1.783 -11.769 5.751 1.00 0.00 H new ATOM 0 HG2 GLN A 211 -4.030 -10.705 6.709 1.00 0.00 H new ATOM 0 HG3 GLN A 211 -4.782 -11.922 5.696 1.00 0.00 H new ATOM 0 HE21 GLN A 211 -5.546 -13.343 7.196 1.00 0.00 H new ATOM 0 HE22 GLN A 211 -4.524 -14.200 8.355 1.00 0.00 H new ATOM 426 N TYR A 212 -0.930 -10.466 2.868 1.00 0.00 N ATOM 427 CA TYR A 212 0.387 -10.322 2.259 1.00 0.00 C ATOM 428 C TYR A 212 0.647 -8.873 1.858 1.00 0.00 C ATOM 429 O TYR A 212 1.735 -8.343 2.081 1.00 0.00 O ATOM 430 CB TYR A 212 0.508 -11.231 1.034 1.00 0.00 C ATOM 431 CG TYR A 212 1.038 -12.610 1.353 1.00 0.00 C ATOM 432 CD1 TYR A 212 2.403 -12.871 1.337 1.00 0.00 C ATOM 433 CD2 TYR A 212 0.176 -13.652 1.671 1.00 0.00 C ATOM 434 CE1 TYR A 212 2.893 -14.130 1.627 1.00 0.00 C ATOM 435 CE2 TYR A 212 0.657 -14.913 1.964 1.00 0.00 C ATOM 436 CZ TYR A 212 2.016 -15.147 1.940 1.00 0.00 C ATOM 437 OH TYR A 212 2.498 -16.403 2.230 1.00 0.00 O ATOM 0 H TYR A 212 -1.600 -10.990 2.305 1.00 0.00 H new ATOM 0 HA TYR A 212 1.134 -10.615 2.997 1.00 0.00 H new ATOM 0 HB2 TYR A 212 -0.471 -11.327 0.565 1.00 0.00 H new ATOM 0 HB3 TYR A 212 1.166 -10.758 0.305 1.00 0.00 H new ATOM 0 HD1 TYR A 212 3.093 -12.076 1.094 1.00 0.00 H new ATOM 0 HD2 TYR A 212 -0.889 -13.473 1.689 1.00 0.00 H new ATOM 0 HE1 TYR A 212 3.957 -14.316 1.609 1.00 0.00 H new ATOM 0 HE2 TYR A 212 -0.027 -15.711 2.211 1.00 0.00 H new ATOM 0 HH TYR A 212 1.749 -17.003 2.430 1.00 0.00 H new ATOM 447 N GLN A 213 -0.361 -8.239 1.268 1.00 0.00 N ATOM 448 CA GLN A 213 -0.243 -6.851 0.836 1.00 0.00 C ATOM 449 C GLN A 213 -0.153 -5.914 2.036 1.00 0.00 C ATOM 450 O GLN A 213 0.634 -4.967 2.040 1.00 0.00 O ATOM 451 CB GLN A 213 -1.434 -6.464 -0.041 1.00 0.00 C ATOM 452 CG GLN A 213 -1.494 -7.224 -1.356 1.00 0.00 C ATOM 453 CD GLN A 213 -0.263 -7.006 -2.213 1.00 0.00 C ATOM 454 OE1 GLN A 213 0.836 -7.435 -1.861 1.00 0.00 O ATOM 455 NE2 GLN A 213 -0.441 -6.337 -3.346 1.00 0.00 N ATOM 0 H GLN A 213 -1.269 -8.664 1.078 1.00 0.00 H new ATOM 0 HA GLN A 213 0.673 -6.755 0.253 1.00 0.00 H new ATOM 0 HB2 GLN A 213 -2.356 -6.641 0.514 1.00 0.00 H new ATOM 0 HB3 GLN A 213 -1.388 -5.395 -0.250 1.00 0.00 H new ATOM 0 HG2 GLN A 213 -1.605 -8.289 -1.151 1.00 0.00 H new ATOM 0 HG3 GLN A 213 -2.379 -6.912 -1.911 1.00 0.00 H new ATOM 0 HE21 GLN A 213 -1.370 -6.000 -3.598 1.00 0.00 H new ATOM 0 HE22 GLN A 213 0.351 -6.161 -3.964 1.00 0.00 H new ATOM 464 N CYS A 214 -0.965 -6.183 3.053 1.00 0.00 N ATOM 465 CA CYS A 214 -0.979 -5.364 4.258 1.00 0.00 C ATOM 466 C CYS A 214 0.421 -4.856 4.587 1.00 0.00 C ATOM 467 O CYS A 214 1.322 -5.621 4.930 1.00 0.00 O ATOM 468 CB CYS A 214 -1.533 -6.165 5.438 1.00 0.00 C ATOM 469 SG CYS A 214 -2.351 -5.149 6.709 1.00 0.00 S ATOM 0 H CYS A 214 -1.622 -6.963 3.066 1.00 0.00 H new ATOM 0 HA CYS A 214 -1.624 -4.505 4.075 1.00 0.00 H new ATOM 0 HB2 CYS A 214 -2.245 -6.900 5.062 1.00 0.00 H new ATOM 0 HB3 CYS A 214 -0.717 -6.720 5.901 1.00 0.00 H new ATOM 0 HG CYS A 214 -3.377 -5.791 7.184 1.00 0.00 H new ATOM 474 N PRO A 215 0.611 -3.532 4.480 1.00 0.00 N ATOM 475 CA PRO A 215 1.898 -2.891 4.762 1.00 0.00 C ATOM 476 C PRO A 215 2.248 -2.920 6.246 1.00 0.00 C ATOM 477 O PRO A 215 3.367 -3.267 6.623 1.00 0.00 O ATOM 478 CB PRO A 215 1.688 -1.450 4.291 1.00 0.00 C ATOM 479 CG PRO A 215 0.218 -1.232 4.384 1.00 0.00 C ATOM 480 CD PRO A 215 -0.418 -2.559 4.077 1.00 0.00 C ATOM 0 HA PRO A 215 2.724 -3.400 4.265 1.00 0.00 H new ATOM 0 HB2 PRO A 215 2.233 -0.745 4.918 1.00 0.00 H new ATOM 0 HB3 PRO A 215 2.045 -1.311 3.271 1.00 0.00 H new ATOM 0 HG2 PRO A 215 -0.063 -0.886 5.379 1.00 0.00 H new ATOM 0 HG3 PRO A 215 -0.109 -0.470 3.677 1.00 0.00 H new ATOM 0 HD2 PRO A 215 -1.344 -2.699 4.635 1.00 0.00 H new ATOM 0 HD3 PRO A 215 -0.666 -2.651 3.019 1.00 0.00 H new ATOM 488 N ARG A 216 1.283 -2.554 7.084 1.00 0.00 N ATOM 489 CA ARG A 216 1.490 -2.538 8.527 1.00 0.00 C ATOM 490 C ARG A 216 2.255 -3.778 8.981 1.00 0.00 C ATOM 491 O ARG A 216 3.091 -3.709 9.883 1.00 0.00 O ATOM 492 CB ARG A 216 0.147 -2.460 9.255 1.00 0.00 C ATOM 493 CG ARG A 216 -0.479 -1.075 9.232 1.00 0.00 C ATOM 494 CD ARG A 216 0.293 -0.100 10.106 1.00 0.00 C ATOM 495 NE ARG A 216 -0.450 1.137 10.335 1.00 0.00 N ATOM 496 CZ ARG A 216 0.123 2.289 10.664 1.00 0.00 C ATOM 497 NH1 ARG A 216 1.440 2.362 10.802 1.00 0.00 N ATOM 498 NH2 ARG A 216 -0.620 3.370 10.857 1.00 0.00 N ATOM 0 H ARG A 216 0.351 -2.265 6.788 1.00 0.00 H new ATOM 0 HA ARG A 216 2.082 -1.657 8.774 1.00 0.00 H new ATOM 0 HB2 ARG A 216 -0.545 -3.170 8.801 1.00 0.00 H new ATOM 0 HB3 ARG A 216 0.286 -2.769 10.291 1.00 0.00 H new ATOM 0 HG2 ARG A 216 -0.506 -0.704 8.207 1.00 0.00 H new ATOM 0 HG3 ARG A 216 -1.511 -1.135 9.577 1.00 0.00 H new ATOM 0 HD2 ARG A 216 0.517 -0.571 11.063 1.00 0.00 H new ATOM 0 HD3 ARG A 216 1.247 0.133 9.634 1.00 0.00 H new ATOM 0 HE ARG A 216 -1.465 1.115 10.237 1.00 0.00 H new ATOM 0 HH11 ARG A 216 2.015 1.532 10.655 1.00 0.00 H new ATOM 0 HH12 ARG A 216 1.878 3.248 11.055 1.00 0.00 H new ATOM 0 HH21 ARG A 216 -1.633 3.318 10.753 1.00 0.00 H new ATOM 0 HH22 ARG A 216 -0.178 4.254 11.110 1.00 0.00 H new ATOM 512 N LEU A 217 1.964 -4.910 8.350 1.00 0.00 N ATOM 513 CA LEU A 217 2.624 -6.166 8.688 1.00 0.00 C ATOM 514 C LEU A 217 4.137 -5.984 8.759 1.00 0.00 C ATOM 515 O LEU A 217 4.747 -5.322 7.919 1.00 0.00 O ATOM 516 CB LEU A 217 2.275 -7.242 7.659 1.00 0.00 C ATOM 517 CG LEU A 217 2.819 -8.643 7.941 1.00 0.00 C ATOM 518 CD1 LEU A 217 1.868 -9.413 8.843 1.00 0.00 C ATOM 519 CD2 LEU A 217 3.052 -9.397 6.640 1.00 0.00 C ATOM 0 H LEU A 217 1.275 -4.984 7.601 1.00 0.00 H new ATOM 0 HA LEU A 217 2.269 -6.482 9.669 1.00 0.00 H new ATOM 0 HB2 LEU A 217 1.189 -7.304 7.582 1.00 0.00 H new ATOM 0 HB3 LEU A 217 2.645 -6.919 6.686 1.00 0.00 H new ATOM 0 HG LEU A 217 3.775 -8.544 8.456 1.00 0.00 H new ATOM 0 HD11 LEU A 217 2.272 -10.408 9.033 1.00 0.00 H new ATOM 0 HD12 LEU A 217 1.753 -8.882 9.788 1.00 0.00 H new ATOM 0 HD13 LEU A 217 0.897 -9.502 8.356 1.00 0.00 H new ATOM 0 HD21 LEU A 217 3.439 -10.392 6.860 1.00 0.00 H new ATOM 0 HD22 LEU A 217 2.111 -9.486 6.097 1.00 0.00 H new ATOM 0 HD23 LEU A 217 3.773 -8.854 6.029 1.00 0.00 H new ATOM 531 N PRO A 218 4.759 -6.588 9.782 1.00 0.00 N ATOM 532 CA PRO A 218 6.209 -6.509 9.985 1.00 0.00 C ATOM 533 C PRO A 218 6.985 -7.287 8.927 1.00 0.00 C ATOM 534 O PRO A 218 6.568 -8.366 8.506 1.00 0.00 O ATOM 535 CB PRO A 218 6.408 -7.139 11.366 1.00 0.00 C ATOM 536 CG PRO A 218 5.241 -8.049 11.540 1.00 0.00 C ATOM 537 CD PRO A 218 4.095 -7.393 10.821 1.00 0.00 C ATOM 0 HA PRO A 218 6.576 -5.485 9.912 1.00 0.00 H new ATOM 0 HB2 PRO A 218 7.349 -7.687 11.419 1.00 0.00 H new ATOM 0 HB3 PRO A 218 6.437 -6.379 12.147 1.00 0.00 H new ATOM 0 HG2 PRO A 218 5.449 -9.035 11.125 1.00 0.00 H new ATOM 0 HG3 PRO A 218 5.010 -8.190 12.596 1.00 0.00 H new ATOM 0 HD2 PRO A 218 3.419 -8.129 10.387 1.00 0.00 H new ATOM 0 HD3 PRO A 218 3.502 -6.772 11.493 1.00 0.00 H new ATOM 545 N VAL A 219 8.116 -6.733 8.503 1.00 0.00 N ATOM 546 CA VAL A 219 8.951 -7.375 7.496 1.00 0.00 C ATOM 547 C VAL A 219 10.428 -7.271 7.859 1.00 0.00 C ATOM 548 O VAL A 219 10.928 -6.188 8.161 1.00 0.00 O ATOM 549 CB VAL A 219 8.731 -6.753 6.104 1.00 0.00 C ATOM 550 CG1 VAL A 219 7.332 -7.065 5.595 1.00 0.00 C ATOM 551 CG2 VAL A 219 8.968 -5.252 6.148 1.00 0.00 C ATOM 0 H VAL A 219 8.475 -5.840 8.842 1.00 0.00 H new ATOM 0 HA VAL A 219 8.660 -8.425 7.467 1.00 0.00 H new ATOM 0 HB VAL A 219 9.450 -7.191 5.412 1.00 0.00 H new ATOM 0 HG11 VAL A 219 7.195 -6.618 4.611 1.00 0.00 H new ATOM 0 HG12 VAL A 219 7.203 -8.145 5.524 1.00 0.00 H new ATOM 0 HG13 VAL A 219 6.594 -6.656 6.285 1.00 0.00 H new ATOM 0 HG21 VAL A 219 8.808 -4.829 5.156 1.00 0.00 H new ATOM 0 HG22 VAL A 219 8.274 -4.795 6.854 1.00 0.00 H new ATOM 0 HG23 VAL A 219 9.992 -5.054 6.466 1.00 0.00 H new ATOM 561 N ALA A 220 11.121 -8.404 7.825 1.00 0.00 N ATOM 562 CA ALA A 220 12.542 -8.440 8.148 1.00 0.00 C ATOM 563 C ALA A 220 13.345 -7.563 7.193 1.00 0.00 C ATOM 564 O ALA A 220 13.152 -7.613 5.978 1.00 0.00 O ATOM 565 CB ALA A 220 13.056 -9.872 8.111 1.00 0.00 C ATOM 0 H ALA A 220 10.722 -9.309 7.577 1.00 0.00 H new ATOM 0 HA ALA A 220 12.670 -8.046 9.156 1.00 0.00 H new ATOM 0 HB1 ALA A 220 14.118 -9.884 8.354 1.00 0.00 H new ATOM 0 HB2 ALA A 220 12.511 -10.473 8.838 1.00 0.00 H new ATOM 0 HB3 ALA A 220 12.907 -10.286 7.114 1.00 0.00 H new ATOM 571 N CYS A 221 14.245 -6.760 7.750 1.00 0.00 N ATOM 572 CA CYS A 221 15.077 -5.871 6.948 1.00 0.00 C ATOM 573 C CYS A 221 15.918 -6.663 5.952 1.00 0.00 C ATOM 574 O CYS A 221 16.547 -7.666 6.291 1.00 0.00 O ATOM 575 CB CYS A 221 15.987 -5.038 7.852 1.00 0.00 C ATOM 576 SG CYS A 221 16.974 -3.789 6.966 1.00 0.00 S ATOM 0 H CYS A 221 14.417 -6.707 8.754 1.00 0.00 H new ATOM 0 HA CYS A 221 14.420 -5.204 6.391 1.00 0.00 H new ATOM 0 HB2 CYS A 221 15.376 -4.537 8.602 1.00 0.00 H new ATOM 0 HB3 CYS A 221 16.662 -5.707 8.386 1.00 0.00 H new ATOM 0 HG CYS A 221 16.903 -2.653 7.595 1.00 0.00 H new ATOM 581 N PRO A 222 15.930 -6.204 4.691 1.00 0.00 N ATOM 582 CA PRO A 222 16.690 -6.855 3.620 1.00 0.00 C ATOM 583 C PRO A 222 18.196 -6.694 3.797 1.00 0.00 C ATOM 584 O PRO A 222 18.984 -7.363 3.130 1.00 0.00 O ATOM 585 CB PRO A 222 16.219 -6.126 2.359 1.00 0.00 C ATOM 586 CG PRO A 222 15.766 -4.791 2.840 1.00 0.00 C ATOM 587 CD PRO A 222 15.204 -5.015 4.216 1.00 0.00 C ATOM 0 HA PRO A 222 16.521 -7.931 3.596 1.00 0.00 H new ATOM 0 HB2 PRO A 222 17.025 -6.032 1.632 1.00 0.00 H new ATOM 0 HB3 PRO A 222 15.409 -6.666 1.869 1.00 0.00 H new ATOM 0 HG2 PRO A 222 16.595 -4.084 2.868 1.00 0.00 H new ATOM 0 HG3 PRO A 222 15.012 -4.372 2.174 1.00 0.00 H new ATOM 0 HD2 PRO A 222 15.373 -4.155 4.864 1.00 0.00 H new ATOM 0 HD3 PRO A 222 14.128 -5.186 4.188 1.00 0.00 H new ATOM 595 N ASN A 223 18.589 -5.802 4.701 1.00 0.00 N ATOM 596 CA ASN A 223 20.001 -5.553 4.966 1.00 0.00 C ATOM 597 C ASN A 223 20.473 -6.341 6.184 1.00 0.00 C ATOM 598 O ASN A 223 21.668 -6.395 6.475 1.00 0.00 O ATOM 599 CB ASN A 223 20.245 -4.059 5.185 1.00 0.00 C ATOM 600 CG ASN A 223 20.009 -3.244 3.928 1.00 0.00 C ATOM 601 OD1 ASN A 223 19.566 -3.771 2.907 1.00 0.00 O ATOM 602 ND2 ASN A 223 20.304 -1.951 3.996 1.00 0.00 N ATOM 0 H ASN A 223 17.949 -5.240 5.262 1.00 0.00 H new ATOM 0 HA ASN A 223 20.572 -5.884 4.098 1.00 0.00 H new ATOM 0 HB2 ASN A 223 19.588 -3.699 5.977 1.00 0.00 H new ATOM 0 HB3 ASN A 223 21.269 -3.907 5.526 1.00 0.00 H new ATOM 0 HD21 ASN A 223 20.166 -1.353 3.182 1.00 0.00 H new ATOM 0 HD22 ASN A 223 20.669 -1.556 4.863 1.00 0.00 H new ATOM 609 N GLN A 224 19.527 -6.950 6.891 1.00 0.00 N ATOM 610 CA GLN A 224 19.846 -7.734 8.078 1.00 0.00 C ATOM 611 C GLN A 224 20.737 -6.943 9.030 1.00 0.00 C ATOM 612 O GLN A 224 21.774 -7.433 9.478 1.00 0.00 O ATOM 613 CB GLN A 224 20.536 -9.040 7.682 1.00 0.00 C ATOM 614 CG GLN A 224 19.598 -10.057 7.051 1.00 0.00 C ATOM 615 CD GLN A 224 18.916 -10.938 8.078 1.00 0.00 C ATOM 616 OE1 GLN A 224 19.282 -10.938 9.254 1.00 0.00 O ATOM 617 NE2 GLN A 224 17.918 -11.696 7.640 1.00 0.00 N ATOM 0 H GLN A 224 18.534 -6.916 6.663 1.00 0.00 H new ATOM 0 HA GLN A 224 18.913 -7.965 8.591 1.00 0.00 H new ATOM 0 HB2 GLN A 224 21.342 -8.818 6.982 1.00 0.00 H new ATOM 0 HB3 GLN A 224 20.995 -9.481 8.567 1.00 0.00 H new ATOM 0 HG2 GLN A 224 18.841 -9.534 6.467 1.00 0.00 H new ATOM 0 HG3 GLN A 224 20.160 -10.682 6.357 1.00 0.00 H new ATOM 0 HE21 GLN A 224 17.647 -11.665 6.657 1.00 0.00 H new ATOM 0 HE22 GLN A 224 17.422 -12.309 8.286 1.00 0.00 H new ATOM 626 N CYS A 225 20.326 -5.717 9.335 1.00 0.00 N ATOM 627 CA CYS A 225 21.087 -4.856 10.234 1.00 0.00 C ATOM 628 C CYS A 225 21.008 -5.365 11.670 1.00 0.00 C ATOM 629 O CYS A 225 22.028 -5.528 12.339 1.00 0.00 O ATOM 630 CB CYS A 225 20.566 -3.420 10.160 1.00 0.00 C ATOM 631 SG CYS A 225 18.759 -3.274 10.341 1.00 0.00 S ATOM 0 H CYS A 225 19.470 -5.297 8.973 1.00 0.00 H new ATOM 0 HA CYS A 225 22.130 -4.873 9.918 1.00 0.00 H new ATOM 0 HB2 CYS A 225 21.047 -2.830 10.940 1.00 0.00 H new ATOM 0 HB3 CYS A 225 20.861 -2.987 9.204 1.00 0.00 H new ATOM 0 HG CYS A 225 18.190 -3.473 9.189 1.00 0.00 H new ATOM 636 N GLY A 226 19.789 -5.614 12.138 1.00 0.00 N ATOM 637 CA GLY A 226 19.599 -6.101 13.492 1.00 0.00 C ATOM 638 C GLY A 226 18.208 -5.816 14.021 1.00 0.00 C ATOM 639 O GLY A 226 17.647 -6.612 14.775 1.00 0.00 O ATOM 0 H GLY A 226 18.929 -5.487 11.604 1.00 0.00 H new ATOM 0 HA2 GLY A 226 19.781 -7.175 13.517 1.00 0.00 H new ATOM 0 HA3 GLY A 226 20.336 -5.638 14.148 1.00 0.00 H new ATOM 643 N VAL A 227 17.648 -4.676 13.627 1.00 0.00 N ATOM 644 CA VAL A 227 16.313 -4.288 14.067 1.00 0.00 C ATOM 645 C VAL A 227 15.363 -5.480 14.058 1.00 0.00 C ATOM 646 O VAL A 227 14.362 -5.495 14.773 1.00 0.00 O ATOM 647 CB VAL A 227 15.731 -3.174 13.176 1.00 0.00 C ATOM 648 CG1 VAL A 227 15.683 -3.622 11.724 1.00 0.00 C ATOM 649 CG2 VAL A 227 14.348 -2.771 13.664 1.00 0.00 C ATOM 0 H VAL A 227 18.098 -4.005 13.004 1.00 0.00 H new ATOM 0 HA VAL A 227 16.411 -3.914 15.086 1.00 0.00 H new ATOM 0 HB VAL A 227 16.383 -2.303 13.241 1.00 0.00 H new ATOM 0 HG11 VAL A 227 15.269 -2.822 11.110 1.00 0.00 H new ATOM 0 HG12 VAL A 227 16.691 -3.857 11.382 1.00 0.00 H new ATOM 0 HG13 VAL A 227 15.054 -4.508 11.637 1.00 0.00 H new ATOM 0 HG21 VAL A 227 13.951 -1.983 13.024 1.00 0.00 H new ATOM 0 HG22 VAL A 227 13.684 -3.635 13.630 1.00 0.00 H new ATOM 0 HG23 VAL A 227 14.416 -2.406 14.689 1.00 0.00 H new ATOM 659 N GLY A 228 15.684 -6.480 13.242 1.00 0.00 N ATOM 660 CA GLY A 228 14.849 -7.663 13.155 1.00 0.00 C ATOM 661 C GLY A 228 13.672 -7.475 12.218 1.00 0.00 C ATOM 662 O GLY A 228 13.810 -7.603 11.001 1.00 0.00 O ATOM 0 H GLY A 228 16.507 -6.491 12.640 1.00 0.00 H new ATOM 0 HA2 GLY A 228 15.451 -8.504 12.812 1.00 0.00 H new ATOM 0 HA3 GLY A 228 14.481 -7.918 14.149 1.00 0.00 H new ATOM 666 N THR A 229 12.508 -7.171 12.785 1.00 0.00 N ATOM 667 CA THR A 229 11.302 -6.968 11.993 1.00 0.00 C ATOM 668 C THR A 229 10.806 -5.531 12.107 1.00 0.00 C ATOM 669 O THR A 229 10.961 -4.890 13.147 1.00 0.00 O ATOM 670 CB THR A 229 10.176 -7.924 12.430 1.00 0.00 C ATOM 671 OG1 THR A 229 10.013 -7.872 13.851 1.00 0.00 O ATOM 672 CG2 THR A 229 10.481 -9.351 12.001 1.00 0.00 C ATOM 0 H THR A 229 12.376 -7.060 13.790 1.00 0.00 H new ATOM 0 HA THR A 229 11.565 -7.178 10.956 1.00 0.00 H new ATOM 0 HB THR A 229 9.252 -7.606 11.947 1.00 0.00 H new ATOM 0 HG1 THR A 229 9.294 -8.481 14.120 1.00 0.00 H new ATOM 0 HG21 THR A 229 9.672 -10.008 12.321 1.00 0.00 H new ATOM 0 HG22 THR A 229 10.575 -9.392 10.916 1.00 0.00 H new ATOM 0 HG23 THR A 229 11.415 -9.677 12.459 1.00 0.00 H new ATOM 680 N VAL A 230 10.206 -5.030 11.031 1.00 0.00 N ATOM 681 CA VAL A 230 9.685 -3.668 11.011 1.00 0.00 C ATOM 682 C VAL A 230 8.612 -3.507 9.941 1.00 0.00 C ATOM 683 O VAL A 230 8.805 -3.896 8.789 1.00 0.00 O ATOM 684 CB VAL A 230 10.805 -2.642 10.759 1.00 0.00 C ATOM 685 CG1 VAL A 230 11.384 -2.816 9.363 1.00 0.00 C ATOM 686 CG2 VAL A 230 10.285 -1.226 10.956 1.00 0.00 C ATOM 0 H VAL A 230 10.069 -5.547 10.162 1.00 0.00 H new ATOM 0 HA VAL A 230 9.247 -3.482 11.992 1.00 0.00 H new ATOM 0 HB VAL A 230 11.602 -2.816 11.482 1.00 0.00 H new ATOM 0 HG11 VAL A 230 12.174 -2.082 9.203 1.00 0.00 H new ATOM 0 HG12 VAL A 230 11.795 -3.820 9.262 1.00 0.00 H new ATOM 0 HG13 VAL A 230 10.598 -2.670 8.622 1.00 0.00 H new ATOM 0 HG21 VAL A 230 11.090 -0.514 10.774 1.00 0.00 H new ATOM 0 HG22 VAL A 230 9.469 -1.038 10.258 1.00 0.00 H new ATOM 0 HG23 VAL A 230 9.923 -1.110 11.977 1.00 0.00 H new ATOM 696 N ALA A 231 7.479 -2.929 10.328 1.00 0.00 N ATOM 697 CA ALA A 231 6.375 -2.713 9.401 1.00 0.00 C ATOM 698 C ALA A 231 6.889 -2.387 8.003 1.00 0.00 C ATOM 699 O ALA A 231 7.894 -1.693 7.846 1.00 0.00 O ATOM 700 CB ALA A 231 5.472 -1.599 9.907 1.00 0.00 C ATOM 0 H ALA A 231 7.302 -2.602 11.278 1.00 0.00 H new ATOM 0 HA ALA A 231 5.797 -3.635 9.341 1.00 0.00 H new ATOM 0 HB1 ALA A 231 4.652 -1.448 9.205 1.00 0.00 H new ATOM 0 HB2 ALA A 231 5.069 -1.872 10.882 1.00 0.00 H new ATOM 0 HB3 ALA A 231 6.047 -0.677 9.997 1.00 0.00 H new ATOM 706 N ARG A 232 6.194 -2.892 6.989 1.00 0.00 N ATOM 707 CA ARG A 232 6.581 -2.656 5.604 1.00 0.00 C ATOM 708 C ARG A 232 6.619 -1.161 5.297 1.00 0.00 C ATOM 709 O ARG A 232 7.528 -0.680 4.621 1.00 0.00 O ATOM 710 CB ARG A 232 5.609 -3.358 4.653 1.00 0.00 C ATOM 711 CG ARG A 232 5.936 -3.148 3.184 1.00 0.00 C ATOM 712 CD ARG A 232 4.681 -3.163 2.326 1.00 0.00 C ATOM 713 NE ARG A 232 4.944 -2.708 0.963 1.00 0.00 N ATOM 714 CZ ARG A 232 5.372 -3.506 -0.009 1.00 0.00 C ATOM 715 NH1 ARG A 232 5.585 -4.793 0.231 1.00 0.00 N ATOM 716 NH2 ARG A 232 5.589 -3.018 -1.223 1.00 0.00 N ATOM 0 H ARG A 232 5.359 -3.468 7.101 1.00 0.00 H new ATOM 0 HA ARG A 232 7.581 -3.065 5.458 1.00 0.00 H new ATOM 0 HB2 ARG A 232 5.612 -4.427 4.868 1.00 0.00 H new ATOM 0 HB3 ARG A 232 4.599 -2.996 4.847 1.00 0.00 H new ATOM 0 HG2 ARG A 232 6.453 -2.197 3.058 1.00 0.00 H new ATOM 0 HG3 ARG A 232 6.618 -3.929 2.847 1.00 0.00 H new ATOM 0 HD2 ARG A 232 4.273 -4.173 2.298 1.00 0.00 H new ATOM 0 HD3 ARG A 232 3.923 -2.525 2.781 1.00 0.00 H new ATOM 0 HE ARG A 232 4.791 -1.723 0.746 1.00 0.00 H new ATOM 0 HH11 ARG A 232 5.420 -5.172 1.164 1.00 0.00 H new ATOM 0 HH12 ARG A 232 5.914 -5.404 -0.517 1.00 0.00 H new ATOM 0 HH21 ARG A 232 5.427 -2.029 -1.411 1.00 0.00 H new ATOM 0 HH22 ARG A 232 5.918 -3.632 -1.968 1.00 0.00 H new ATOM 730 N GLU A 233 5.626 -0.434 5.799 1.00 0.00 N ATOM 731 CA GLU A 233 5.546 1.005 5.577 1.00 0.00 C ATOM 732 C GLU A 233 6.503 1.752 6.502 1.00 0.00 C ATOM 733 O GLU A 233 6.621 2.975 6.434 1.00 0.00 O ATOM 734 CB GLU A 233 4.115 1.499 5.800 1.00 0.00 C ATOM 735 CG GLU A 233 3.607 1.277 7.214 1.00 0.00 C ATOM 736 CD GLU A 233 4.020 2.385 8.163 1.00 0.00 C ATOM 737 OE1 GLU A 233 4.119 3.546 7.712 1.00 0.00 O ATOM 738 OE2 GLU A 233 4.245 2.093 9.356 1.00 0.00 O ATOM 0 H GLU A 233 4.866 -0.817 6.362 1.00 0.00 H new ATOM 0 HA GLU A 233 5.835 1.204 4.545 1.00 0.00 H new ATOM 0 HB2 GLU A 233 4.067 2.563 5.569 1.00 0.00 H new ATOM 0 HB3 GLU A 233 3.451 0.991 5.101 1.00 0.00 H new ATOM 0 HG2 GLU A 233 2.520 1.204 7.198 1.00 0.00 H new ATOM 0 HG3 GLU A 233 3.985 0.325 7.587 1.00 0.00 H new ATOM 745 N ASP A 234 7.183 1.007 7.366 1.00 0.00 N ATOM 746 CA ASP A 234 8.131 1.597 8.305 1.00 0.00 C ATOM 747 C ASP A 234 9.567 1.365 7.846 1.00 0.00 C ATOM 748 O ASP A 234 10.493 2.035 8.305 1.00 0.00 O ATOM 749 CB ASP A 234 7.928 1.011 9.703 1.00 0.00 C ATOM 750 CG ASP A 234 6.846 1.733 10.482 1.00 0.00 C ATOM 751 OD1 ASP A 234 6.724 2.966 10.326 1.00 0.00 O ATOM 752 OD2 ASP A 234 6.121 1.064 11.248 1.00 0.00 O ATOM 0 H ASP A 234 7.096 -0.007 7.436 1.00 0.00 H new ATOM 0 HA ASP A 234 7.949 2.671 8.340 1.00 0.00 H new ATOM 0 HB2 ASP A 234 7.667 -0.044 9.617 1.00 0.00 H new ATOM 0 HB3 ASP A 234 8.866 1.064 10.256 1.00 0.00 H new ATOM 757 N LEU A 235 9.745 0.412 6.938 1.00 0.00 N ATOM 758 CA LEU A 235 11.069 0.091 6.416 1.00 0.00 C ATOM 759 C LEU A 235 11.723 1.320 5.793 1.00 0.00 C ATOM 760 O LEU A 235 12.900 1.606 6.011 1.00 0.00 O ATOM 761 CB LEU A 235 10.973 -1.030 5.380 1.00 0.00 C ATOM 762 CG LEU A 235 12.187 -1.953 5.274 1.00 0.00 C ATOM 763 CD1 LEU A 235 12.420 -2.681 6.589 1.00 0.00 C ATOM 764 CD2 LEU A 235 12.004 -2.948 4.137 1.00 0.00 C ATOM 0 H LEU A 235 8.990 -0.152 6.548 1.00 0.00 H new ATOM 0 HA LEU A 235 11.688 -0.244 7.248 1.00 0.00 H new ATOM 0 HB2 LEU A 235 10.099 -1.638 5.612 1.00 0.00 H new ATOM 0 HB3 LEU A 235 10.798 -0.580 4.403 1.00 0.00 H new ATOM 0 HG LEU A 235 13.065 -1.344 5.059 1.00 0.00 H new ATOM 0 HD11 LEU A 235 13.288 -3.333 6.495 1.00 0.00 H new ATOM 0 HD12 LEU A 235 12.597 -1.954 7.381 1.00 0.00 H new ATOM 0 HD13 LEU A 235 11.542 -3.278 6.835 1.00 0.00 H new ATOM 0 HD21 LEU A 235 12.878 -3.597 4.077 1.00 0.00 H new ATOM 0 HD22 LEU A 235 11.116 -3.552 4.322 1.00 0.00 H new ATOM 0 HD23 LEU A 235 11.887 -2.409 3.197 1.00 0.00 H new ATOM 776 N PRO A 236 10.941 2.067 4.999 1.00 0.00 N ATOM 777 CA PRO A 236 11.421 3.280 4.330 1.00 0.00 C ATOM 778 C PRO A 236 12.170 4.208 5.280 1.00 0.00 C ATOM 779 O PRO A 236 13.372 4.427 5.131 1.00 0.00 O ATOM 780 CB PRO A 236 10.135 3.946 3.836 1.00 0.00 C ATOM 781 CG PRO A 236 9.165 2.826 3.679 1.00 0.00 C ATOM 782 CD PRO A 236 9.528 1.786 4.694 1.00 0.00 C ATOM 0 HA PRO A 236 12.132 3.053 3.535 1.00 0.00 H new ATOM 0 HB2 PRO A 236 9.773 4.686 4.550 1.00 0.00 H new ATOM 0 HB3 PRO A 236 10.296 4.466 2.892 1.00 0.00 H new ATOM 0 HG2 PRO A 236 8.144 3.176 3.833 1.00 0.00 H new ATOM 0 HG3 PRO A 236 9.212 2.414 2.671 1.00 0.00 H new ATOM 0 HD2 PRO A 236 8.904 1.862 5.585 1.00 0.00 H new ATOM 0 HD3 PRO A 236 9.397 0.779 4.298 1.00 0.00 H new ATOM 790 N GLY A 237 11.452 4.752 6.258 1.00 0.00 N ATOM 791 CA GLY A 237 12.066 5.650 7.218 1.00 0.00 C ATOM 792 C GLY A 237 13.204 4.997 7.978 1.00 0.00 C ATOM 793 O GLY A 237 14.094 5.681 8.486 1.00 0.00 O ATOM 0 H GLY A 237 10.456 4.587 6.402 1.00 0.00 H new ATOM 0 HA2 GLY A 237 12.440 6.532 6.698 1.00 0.00 H new ATOM 0 HA3 GLY A 237 11.311 5.993 7.925 1.00 0.00 H new ATOM 797 N HIS A 238 13.176 3.671 8.057 1.00 0.00 N ATOM 798 CA HIS A 238 14.213 2.925 8.762 1.00 0.00 C ATOM 799 C HIS A 238 15.507 2.899 7.954 1.00 0.00 C ATOM 800 O HIS A 238 16.586 3.173 8.482 1.00 0.00 O ATOM 801 CB HIS A 238 13.743 1.497 9.041 1.00 0.00 C ATOM 802 CG HIS A 238 14.866 0.523 9.225 1.00 0.00 C ATOM 803 ND1 HIS A 238 15.425 0.243 10.454 1.00 0.00 N ATOM 804 CD2 HIS A 238 15.533 -0.240 8.328 1.00 0.00 C ATOM 805 CE1 HIS A 238 16.388 -0.648 10.305 1.00 0.00 C ATOM 806 NE2 HIS A 238 16.473 -0.959 9.024 1.00 0.00 N ATOM 0 H HIS A 238 12.447 3.091 7.642 1.00 0.00 H new ATOM 0 HA HIS A 238 14.407 3.427 9.710 1.00 0.00 H new ATOM 0 HB2 HIS A 238 13.122 1.496 9.936 1.00 0.00 H new ATOM 0 HB3 HIS A 238 13.114 1.162 8.216 1.00 0.00 H new ATOM 0 HD1 HIS A 238 15.139 0.659 11.340 1.00 0.00 H new ATOM 0 HD2 HIS A 238 15.358 -0.276 7.263 1.00 0.00 H new ATOM 0 HE1 HIS A 238 17.002 -1.053 11.096 1.00 0.00 H new ATOM 814 N LEU A 239 15.392 2.568 6.673 1.00 0.00 N ATOM 815 CA LEU A 239 16.553 2.506 5.792 1.00 0.00 C ATOM 816 C LEU A 239 17.218 3.874 5.669 1.00 0.00 C ATOM 817 O LEU A 239 18.339 3.989 5.173 1.00 0.00 O ATOM 818 CB LEU A 239 16.142 2.000 4.408 1.00 0.00 C ATOM 819 CG LEU A 239 15.871 0.499 4.295 1.00 0.00 C ATOM 820 CD1 LEU A 239 15.160 0.182 2.990 1.00 0.00 C ATOM 821 CD2 LEU A 239 17.170 -0.286 4.402 1.00 0.00 C ATOM 0 H LEU A 239 14.507 2.338 6.221 1.00 0.00 H new ATOM 0 HA LEU A 239 17.271 1.811 6.228 1.00 0.00 H new ATOM 0 HB2 LEU A 239 15.244 2.535 4.099 1.00 0.00 H new ATOM 0 HB3 LEU A 239 16.928 2.261 3.699 1.00 0.00 H new ATOM 0 HG LEU A 239 15.222 0.203 5.119 1.00 0.00 H new ATOM 0 HD11 LEU A 239 14.976 -0.890 2.927 1.00 0.00 H new ATOM 0 HD12 LEU A 239 14.211 0.716 2.954 1.00 0.00 H new ATOM 0 HD13 LEU A 239 15.783 0.493 2.151 1.00 0.00 H new ATOM 0 HD21 LEU A 239 16.959 -1.352 4.320 1.00 0.00 H new ATOM 0 HD22 LEU A 239 17.843 0.014 3.599 1.00 0.00 H new ATOM 0 HD23 LEU A 239 17.640 -0.083 5.364 1.00 0.00 H new ATOM 833 N LYS A 240 16.520 4.908 6.125 1.00 0.00 N ATOM 834 CA LYS A 240 17.042 6.268 6.070 1.00 0.00 C ATOM 835 C LYS A 240 18.245 6.427 6.995 1.00 0.00 C ATOM 836 O LYS A 240 19.362 6.673 6.539 1.00 0.00 O ATOM 837 CB LYS A 240 15.953 7.271 6.457 1.00 0.00 C ATOM 838 CG LYS A 240 14.849 7.400 5.421 1.00 0.00 C ATOM 839 CD LYS A 240 14.040 8.670 5.623 1.00 0.00 C ATOM 840 CE LYS A 240 14.697 9.863 4.947 1.00 0.00 C ATOM 841 NZ LYS A 240 14.372 9.926 3.495 1.00 0.00 N ATOM 0 H LYS A 240 15.590 4.830 6.537 1.00 0.00 H new ATOM 0 HA LYS A 240 17.363 6.466 5.047 1.00 0.00 H new ATOM 0 HB2 LYS A 240 15.514 6.969 7.408 1.00 0.00 H new ATOM 0 HB3 LYS A 240 16.410 8.248 6.613 1.00 0.00 H new ATOM 0 HG2 LYS A 240 15.285 7.400 4.422 1.00 0.00 H new ATOM 0 HG3 LYS A 240 14.190 6.534 5.481 1.00 0.00 H new ATOM 0 HD2 LYS A 240 13.036 8.531 5.222 1.00 0.00 H new ATOM 0 HD3 LYS A 240 13.933 8.868 6.689 1.00 0.00 H new ATOM 0 HE2 LYS A 240 14.369 10.782 5.433 1.00 0.00 H new ATOM 0 HE3 LYS A 240 15.778 9.803 5.075 1.00 0.00 H new ATOM 0 HZ1 LYS A 240 14.839 10.753 3.070 1.00 0.00 H new ATOM 0 HZ2 LYS A 240 14.708 9.060 3.026 1.00 0.00 H new ATOM 0 HZ3 LYS A 240 13.343 10.009 3.373 1.00 0.00 H new ATOM 855 N ASP A 241 18.010 6.283 8.294 1.00 0.00 N ATOM 856 CA ASP A 241 19.075 6.408 9.283 1.00 0.00 C ATOM 857 C ASP A 241 19.193 5.136 10.118 1.00 0.00 C ATOM 858 O ASP A 241 20.272 4.556 10.234 1.00 0.00 O ATOM 859 CB ASP A 241 18.816 7.609 10.194 1.00 0.00 C ATOM 860 CG ASP A 241 19.997 7.919 11.092 1.00 0.00 C ATOM 861 OD1 ASP A 241 20.303 7.093 11.977 1.00 0.00 O ATOM 862 OD2 ASP A 241 20.616 8.988 10.909 1.00 0.00 O ATOM 0 H ASP A 241 17.091 6.080 8.687 1.00 0.00 H new ATOM 0 HA ASP A 241 20.014 6.561 8.752 1.00 0.00 H new ATOM 0 HB2 ASP A 241 18.589 8.483 9.583 1.00 0.00 H new ATOM 0 HB3 ASP A 241 17.938 7.412 10.809 1.00 0.00 H new ATOM 867 N SER A 242 18.076 4.710 10.698 1.00 0.00 N ATOM 868 CA SER A 242 18.055 3.510 11.527 1.00 0.00 C ATOM 869 C SER A 242 19.034 2.467 10.997 1.00 0.00 C ATOM 870 O SER A 242 20.056 2.182 11.623 1.00 0.00 O ATOM 871 CB SER A 242 16.643 2.922 11.575 1.00 0.00 C ATOM 872 OG SER A 242 15.882 3.508 12.617 1.00 0.00 O ATOM 0 H SER A 242 17.174 5.177 10.609 1.00 0.00 H new ATOM 0 HA SER A 242 18.359 3.790 12.536 1.00 0.00 H new ATOM 0 HB2 SER A 242 16.145 3.086 10.620 1.00 0.00 H new ATOM 0 HB3 SER A 242 16.700 1.844 11.724 1.00 0.00 H new ATOM 0 HG SER A 242 14.983 3.117 12.626 1.00 0.00 H new ATOM 878 N CYS A 243 18.715 1.899 9.838 1.00 0.00 N ATOM 879 CA CYS A 243 19.565 0.887 9.222 1.00 0.00 C ATOM 880 C CYS A 243 21.015 1.358 9.162 1.00 0.00 C ATOM 881 O CYS A 243 21.328 2.487 9.536 1.00 0.00 O ATOM 882 CB CYS A 243 19.064 0.560 7.814 1.00 0.00 C ATOM 883 SG CYS A 243 19.489 -1.118 7.246 1.00 0.00 S ATOM 0 H CYS A 243 17.874 2.123 9.307 1.00 0.00 H new ATOM 0 HA CYS A 243 19.519 -0.013 9.835 1.00 0.00 H new ATOM 0 HB2 CYS A 243 17.981 0.677 7.789 1.00 0.00 H new ATOM 0 HB3 CYS A 243 19.479 1.285 7.114 1.00 0.00 H new ATOM 0 HG CYS A 243 19.229 -1.974 8.189 1.00 0.00 H new