USER MOD reduce.3.24.130724 H: found=0, std=0, add=433, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 424 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 245 CYS SG : rot -174:sc= 0.341 USER MOD Set 1.2: A 248 CYS SG : rot -177:sc= -0.392 USER MOD Set 1.3: A 250 THR OG1 : rot -97:sc= 0.89 USER MOD Set 1.4: A 270 HIS : no HE2:sc= -3.71! C(o=-4.2!,f=-6.1!) USER MOD Set 1.5: A 273 CYS SG : rot -60:sc= -1.35 USER MOD Set 2.1: A 239 TYR OH : rot -170:sc= 0.239 USER MOD Set 2.2: A 268 ASN : amide:sc= -2.29 K(o=-2.1,f=-5.2!) USER MOD Set 3.1: A 232 HIS : no HD1:sc= -1.46 K(o=-7.4,f=-9.9) USER MOD Set 3.2: A 262 CYS SG : rot 167:sc= -3.79 USER MOD Set 3.3: A 265 CYS SG : rot -52:sc= 0.526 USER MOD Set 3.4: A 281 CYS SG : rot 82:sc= -2.69! USER MOD Single : A 230 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 235 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 237 TYR OH : rot 180:sc= 0 USER MOD Single : A 238 ASN : amide:sc= -0.0874 K(o=-0.087,f=-0.92) USER MOD Single : A 240 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 241 SER OG : rot 180:sc= 0 USER MOD Single : A 243 THR OG1 : rot 180:sc= 0 USER MOD Single : A 247 HIS : no HD1:sc= -4.18! K(o=-4.2!,f=-2.4) USER MOD Single : A 258 GLN : amide:sc= -0.193 K(o=-0.19,f=0.99) USER MOD Single : A 261 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 267 MET CE :methyl -154:sc= -1.04 (180deg=-3.62!) USER MOD Single : A 271 HIS : no HD1:sc= -1.65! C(o=-1.6!,f=-3.5!) USER MOD Single : A 274 GLN : amide:sc= -3.37 K(o=-3.4,f=-5!) USER MOD Single : A 275 THR OG1 : rot -66:sc= 0.972 USER MOD Single : A 276 LYS NZ :NH3+ -99:sc= -0.0799 (180deg=-1.15) USER MOD Single : A 279 ASN : amide:sc= -2.14! K(o=-2.1!,f=-1.3) USER MOD Single : A 284 ASN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 107 N ASP A 229 -2.317 -14.567 -7.477 1.00 0.00 N ATOM 108 CA ASP A 229 -2.688 -13.320 -8.135 1.00 0.00 C ATOM 109 C ASP A 229 -1.479 -12.402 -8.282 1.00 0.00 C ATOM 110 O ASP A 229 -0.404 -12.686 -7.754 1.00 0.00 O ATOM 111 CB ASP A 229 -3.790 -12.610 -7.347 1.00 0.00 C ATOM 112 CG ASP A 229 -3.565 -12.676 -5.849 1.00 0.00 C ATOM 113 OD1 ASP A 229 -2.428 -12.981 -5.434 1.00 0.00 O ATOM 114 OD2 ASP A 229 -4.526 -12.423 -5.093 1.00 0.00 O ATOM 0 HA ASP A 229 -3.062 -13.561 -9.130 1.00 0.00 H new ATOM 0 HB2 ASP A 229 -3.841 -11.567 -7.658 1.00 0.00 H new ATOM 0 HB3 ASP A 229 -4.753 -13.061 -7.587 1.00 0.00 H new ATOM 119 N MET A 230 -1.662 -11.300 -9.002 1.00 0.00 N ATOM 120 CA MET A 230 -0.586 -10.340 -9.218 1.00 0.00 C ATOM 121 C MET A 230 -1.015 -8.938 -8.796 1.00 0.00 C ATOM 122 O MET A 230 -1.666 -8.211 -9.546 1.00 0.00 O ATOM 123 CB MET A 230 -0.164 -10.336 -10.688 1.00 0.00 C ATOM 124 CG MET A 230 0.374 -11.674 -11.170 1.00 0.00 C ATOM 125 SD MET A 230 -0.919 -12.919 -11.348 1.00 0.00 S ATOM 126 CE MET A 230 0.064 -14.386 -11.646 1.00 0.00 C ATOM 0 H MET A 230 -2.546 -11.050 -9.446 1.00 0.00 H new ATOM 0 HA MET A 230 0.264 -10.641 -8.605 1.00 0.00 H new ATOM 0 HB2 MET A 230 -1.020 -10.055 -11.302 1.00 0.00 H new ATOM 0 HB3 MET A 230 0.599 -9.572 -10.836 1.00 0.00 H new ATOM 0 HG2 MET A 230 0.875 -11.536 -12.128 1.00 0.00 H new ATOM 0 HG3 MET A 230 1.125 -12.034 -10.467 1.00 0.00 H new ATOM 0 HE1 MET A 230 -0.594 -15.245 -11.777 1.00 0.00 H new ATOM 0 HE2 MET A 230 0.662 -14.247 -12.547 1.00 0.00 H new ATOM 0 HE3 MET A 230 0.724 -14.561 -10.796 1.00 0.00 H new ATOM 136 N PRO A 231 -0.643 -8.549 -7.567 1.00 0.00 N ATOM 137 CA PRO A 231 -0.979 -7.232 -7.019 1.00 0.00 C ATOM 138 C PRO A 231 -0.220 -6.105 -7.712 1.00 0.00 C ATOM 139 O PRO A 231 0.965 -6.238 -8.019 1.00 0.00 O ATOM 140 CB PRO A 231 -0.553 -7.340 -5.552 1.00 0.00 C ATOM 141 CG PRO A 231 0.507 -8.386 -5.541 1.00 0.00 C ATOM 142 CD PRO A 231 0.134 -9.365 -6.619 1.00 0.00 C ATOM 0 HA PRO A 231 -2.033 -6.990 -7.155 1.00 0.00 H new ATOM 0 HB2 PRO A 231 -0.174 -6.389 -5.179 1.00 0.00 H new ATOM 0 HB3 PRO A 231 -1.392 -7.620 -4.916 1.00 0.00 H new ATOM 0 HG2 PRO A 231 1.487 -7.950 -5.732 1.00 0.00 H new ATOM 0 HG3 PRO A 231 0.561 -8.877 -4.569 1.00 0.00 H new ATOM 0 HD2 PRO A 231 1.016 -9.798 -7.091 1.00 0.00 H new ATOM 0 HD3 PRO A 231 -0.455 -10.192 -6.224 1.00 0.00 H new ATOM 150 N HIS A 232 -0.911 -4.995 -7.955 1.00 0.00 N ATOM 151 CA HIS A 232 -0.301 -3.844 -8.611 1.00 0.00 C ATOM 152 C HIS A 232 0.941 -3.383 -7.856 1.00 0.00 C ATOM 153 O HIS A 232 0.857 -2.960 -6.703 1.00 0.00 O ATOM 154 CB HIS A 232 -1.307 -2.697 -8.712 1.00 0.00 C ATOM 155 CG HIS A 232 -2.515 -3.029 -9.533 1.00 0.00 C ATOM 156 ND1 HIS A 232 -2.467 -3.224 -10.897 1.00 0.00 N ATOM 157 CD2 HIS A 232 -3.808 -3.202 -9.174 1.00 0.00 C ATOM 158 CE1 HIS A 232 -3.680 -3.501 -11.342 1.00 0.00 C ATOM 159 NE2 HIS A 232 -4.512 -3.494 -10.317 1.00 0.00 N ATOM 0 H HIS A 232 -1.892 -4.869 -7.708 1.00 0.00 H new ATOM 0 HA HIS A 232 -0.002 -4.145 -9.615 1.00 0.00 H new ATOM 0 HB2 HIS A 232 -1.626 -2.416 -7.709 1.00 0.00 H new ATOM 0 HB3 HIS A 232 -0.812 -1.828 -9.145 1.00 0.00 H new ATOM 0 HD2 HIS A 232 -4.211 -3.125 -8.175 1.00 0.00 H new ATOM 0 HE1 HIS A 232 -3.946 -3.699 -12.370 1.00 0.00 H new ATOM 0 HE2 HIS A 232 -5.514 -3.676 -10.366 1.00 0.00 H new ATOM 167 N ARG A 233 2.093 -3.469 -8.513 1.00 0.00 N ATOM 168 CA ARG A 233 3.353 -3.062 -7.902 1.00 0.00 C ATOM 169 C ARG A 233 3.457 -1.541 -7.832 1.00 0.00 C ATOM 170 O ARG A 233 4.283 -0.933 -8.512 1.00 0.00 O ATOM 171 CB ARG A 233 4.534 -3.629 -8.693 1.00 0.00 C ATOM 172 CG ARG A 233 4.892 -5.056 -8.313 1.00 0.00 C ATOM 173 CD ARG A 233 6.236 -5.466 -8.894 1.00 0.00 C ATOM 174 NE ARG A 233 7.348 -4.795 -8.226 1.00 0.00 N ATOM 175 CZ ARG A 233 8.624 -5.103 -8.433 1.00 0.00 C ATOM 176 NH1 ARG A 233 8.946 -6.066 -9.286 1.00 0.00 N ATOM 177 NH2 ARG A 233 9.579 -4.446 -7.788 1.00 0.00 N ATOM 0 H ARG A 233 2.180 -3.817 -9.468 1.00 0.00 H new ATOM 0 HA ARG A 233 3.381 -3.458 -6.887 1.00 0.00 H new ATOM 0 HB2 ARG A 233 4.299 -3.593 -9.757 1.00 0.00 H new ATOM 0 HB3 ARG A 233 5.404 -2.991 -8.538 1.00 0.00 H new ATOM 0 HG2 ARG A 233 4.920 -5.149 -7.227 1.00 0.00 H new ATOM 0 HG3 ARG A 233 4.117 -5.734 -8.671 1.00 0.00 H new ATOM 0 HD2 ARG A 233 6.356 -6.545 -8.803 1.00 0.00 H new ATOM 0 HD3 ARG A 233 6.258 -5.232 -9.958 1.00 0.00 H new ATOM 0 HE ARG A 233 7.133 -4.049 -7.564 1.00 0.00 H new ATOM 0 HH11 ARG A 233 8.214 -6.572 -9.784 1.00 0.00 H new ATOM 0 HH12 ARG A 233 9.926 -6.301 -9.444 1.00 0.00 H new ATOM 0 HH21 ARG A 233 9.334 -3.704 -7.133 1.00 0.00 H new ATOM 0 HH22 ARG A 233 10.558 -4.683 -7.947 1.00 0.00 H new ATOM 191 N PHE A 234 2.613 -0.933 -7.005 1.00 0.00 N ATOM 192 CA PHE A 234 2.609 0.516 -6.846 1.00 0.00 C ATOM 193 C PHE A 234 3.968 1.015 -6.363 1.00 0.00 C ATOM 194 O PHE A 234 4.655 0.337 -5.598 1.00 0.00 O ATOM 195 CB PHE A 234 1.518 0.940 -5.861 1.00 0.00 C ATOM 196 CG PHE A 234 0.130 0.588 -6.316 1.00 0.00 C ATOM 197 CD1 PHE A 234 -0.403 1.158 -7.461 1.00 0.00 C ATOM 198 CD2 PHE A 234 -0.641 -0.312 -5.599 1.00 0.00 C ATOM 199 CE1 PHE A 234 -1.680 0.836 -7.882 1.00 0.00 C ATOM 200 CE2 PHE A 234 -1.919 -0.637 -6.014 1.00 0.00 C ATOM 201 CZ PHE A 234 -2.438 -0.063 -7.158 1.00 0.00 C ATOM 0 H PHE A 234 1.923 -1.422 -6.435 1.00 0.00 H new ATOM 0 HA PHE A 234 2.403 0.962 -7.819 1.00 0.00 H new ATOM 0 HB2 PHE A 234 1.706 0.468 -4.897 1.00 0.00 H new ATOM 0 HB3 PHE A 234 1.579 2.017 -5.705 1.00 0.00 H new ATOM 0 HD1 PHE A 234 0.186 1.862 -8.031 1.00 0.00 H new ATOM 0 HD2 PHE A 234 -0.239 -0.765 -4.705 1.00 0.00 H new ATOM 0 HE1 PHE A 234 -2.084 1.287 -8.776 1.00 0.00 H new ATOM 0 HE2 PHE A 234 -2.511 -1.339 -5.445 1.00 0.00 H new ATOM 0 HZ PHE A 234 -3.435 -0.317 -7.486 1.00 0.00 H new ATOM 211 N LYS A 235 4.350 2.205 -6.814 1.00 0.00 N ATOM 212 CA LYS A 235 5.625 2.796 -6.429 1.00 0.00 C ATOM 213 C LYS A 235 5.565 4.318 -6.507 1.00 0.00 C ATOM 214 O LYS A 235 5.021 4.880 -7.458 1.00 0.00 O ATOM 215 CB LYS A 235 6.747 2.273 -7.329 1.00 0.00 C ATOM 216 CG LYS A 235 7.395 1.000 -6.815 1.00 0.00 C ATOM 217 CD LYS A 235 8.212 1.257 -5.559 1.00 0.00 C ATOM 218 CE LYS A 235 9.620 1.723 -5.896 1.00 0.00 C ATOM 219 NZ LYS A 235 10.492 1.772 -4.690 1.00 0.00 N ATOM 0 H LYS A 235 3.794 2.779 -7.447 1.00 0.00 H new ATOM 0 HA LYS A 235 5.832 2.510 -5.398 1.00 0.00 H new ATOM 0 HB2 LYS A 235 6.346 2.090 -8.326 1.00 0.00 H new ATOM 0 HB3 LYS A 235 7.510 3.044 -7.429 1.00 0.00 H new ATOM 0 HG2 LYS A 235 6.625 0.258 -6.603 1.00 0.00 H new ATOM 0 HG3 LYS A 235 8.038 0.580 -7.589 1.00 0.00 H new ATOM 0 HD2 LYS A 235 7.715 2.010 -4.948 1.00 0.00 H new ATOM 0 HD3 LYS A 235 8.262 0.346 -4.963 1.00 0.00 H new ATOM 0 HE2 LYS A 235 10.058 1.051 -6.634 1.00 0.00 H new ATOM 0 HE3 LYS A 235 9.576 2.712 -6.352 1.00 0.00 H new ATOM 0 HZ1 LYS A 235 11.443 2.094 -4.962 1.00 0.00 H new ATOM 0 HZ2 LYS A 235 10.088 2.433 -3.996 1.00 0.00 H new ATOM 0 HZ3 LYS A 235 10.555 0.823 -4.269 1.00 0.00 H new ATOM 233 N VAL A 236 6.128 4.981 -5.501 1.00 0.00 N ATOM 234 CA VAL A 236 6.140 6.438 -5.458 1.00 0.00 C ATOM 235 C VAL A 236 6.852 7.019 -6.675 1.00 0.00 C ATOM 236 O VAL A 236 8.033 6.757 -6.900 1.00 0.00 O ATOM 237 CB VAL A 236 6.828 6.956 -4.180 1.00 0.00 C ATOM 238 CG1 VAL A 236 7.115 8.445 -4.294 1.00 0.00 C ATOM 239 CG2 VAL A 236 5.971 6.662 -2.958 1.00 0.00 C ATOM 0 H VAL A 236 6.581 4.532 -4.705 1.00 0.00 H new ATOM 0 HA VAL A 236 5.099 6.763 -5.460 1.00 0.00 H new ATOM 0 HB VAL A 236 7.778 6.435 -4.063 1.00 0.00 H new ATOM 0 HG11 VAL A 236 7.601 8.793 -3.382 1.00 0.00 H new ATOM 0 HG12 VAL A 236 7.771 8.625 -5.146 1.00 0.00 H new ATOM 0 HG13 VAL A 236 6.179 8.986 -4.436 1.00 0.00 H new ATOM 0 HG21 VAL A 236 6.472 7.034 -2.064 1.00 0.00 H new ATOM 0 HG22 VAL A 236 5.004 7.155 -3.064 1.00 0.00 H new ATOM 0 HG23 VAL A 236 5.822 5.586 -2.869 1.00 0.00 H new ATOM 249 N TYR A 237 6.124 7.808 -7.458 1.00 0.00 N ATOM 250 CA TYR A 237 6.685 8.424 -8.654 1.00 0.00 C ATOM 251 C TYR A 237 6.268 9.888 -8.759 1.00 0.00 C ATOM 252 O TYR A 237 5.305 10.318 -8.126 1.00 0.00 O ATOM 253 CB TYR A 237 6.236 7.664 -9.903 1.00 0.00 C ATOM 254 CG TYR A 237 6.842 8.192 -11.184 1.00 0.00 C ATOM 255 CD1 TYR A 237 8.218 8.204 -11.371 1.00 0.00 C ATOM 256 CD2 TYR A 237 6.037 8.679 -12.207 1.00 0.00 C ATOM 257 CE1 TYR A 237 8.776 8.686 -12.539 1.00 0.00 C ATOM 258 CE2 TYR A 237 6.586 9.161 -13.379 1.00 0.00 C ATOM 259 CZ TYR A 237 7.956 9.163 -13.540 1.00 0.00 C ATOM 260 OH TYR A 237 8.508 9.643 -14.706 1.00 0.00 O ATOM 0 H TYR A 237 5.145 8.036 -7.286 1.00 0.00 H new ATOM 0 HA TYR A 237 7.772 8.378 -8.580 1.00 0.00 H new ATOM 0 HB2 TYR A 237 6.500 6.612 -9.793 1.00 0.00 H new ATOM 0 HB3 TYR A 237 5.150 7.714 -9.977 1.00 0.00 H new ATOM 0 HD1 TYR A 237 8.863 7.830 -10.590 1.00 0.00 H new ATOM 0 HD2 TYR A 237 4.964 8.681 -12.083 1.00 0.00 H new ATOM 0 HE1 TYR A 237 9.848 8.689 -12.668 1.00 0.00 H new ATOM 0 HE2 TYR A 237 5.946 9.534 -14.165 1.00 0.00 H new ATOM 0 HH TYR A 237 7.794 9.940 -15.308 1.00 0.00 H new ATOM 270 N ASN A 238 7.003 10.650 -9.564 1.00 0.00 N ATOM 271 CA ASN A 238 6.711 12.066 -9.753 1.00 0.00 C ATOM 272 C ASN A 238 5.927 12.292 -11.042 1.00 0.00 C ATOM 273 O ASN A 238 6.103 11.569 -12.023 1.00 0.00 O ATOM 274 CB ASN A 238 8.008 12.876 -9.782 1.00 0.00 C ATOM 275 CG ASN A 238 8.578 13.005 -11.181 1.00 0.00 C ATOM 276 OD1 ASN A 238 8.766 12.009 -11.881 1.00 0.00 O ATOM 277 ND2 ASN A 238 8.857 14.235 -11.596 1.00 0.00 N ATOM 0 H ASN A 238 7.805 10.310 -10.095 1.00 0.00 H new ATOM 0 HA ASN A 238 6.101 12.401 -8.914 1.00 0.00 H new ATOM 0 HB2 ASN A 238 7.821 13.870 -9.376 1.00 0.00 H new ATOM 0 HB3 ASN A 238 8.745 12.400 -9.135 1.00 0.00 H new ATOM 0 HD21 ASN A 238 9.243 14.383 -12.528 1.00 0.00 H new ATOM 0 HD22 ASN A 238 8.685 15.032 -10.982 1.00 0.00 H new ATOM 284 N TYR A 239 5.063 13.301 -11.033 1.00 0.00 N ATOM 285 CA TYR A 239 4.252 13.623 -12.201 1.00 0.00 C ATOM 286 C TYR A 239 4.563 15.026 -12.712 1.00 0.00 C ATOM 287 O TYR A 239 4.993 15.895 -11.953 1.00 0.00 O ATOM 288 CB TYR A 239 2.764 13.510 -11.861 1.00 0.00 C ATOM 289 CG TYR A 239 2.373 12.162 -11.298 1.00 0.00 C ATOM 290 CD1 TYR A 239 2.440 11.912 -9.933 1.00 0.00 C ATOM 291 CD2 TYR A 239 1.936 11.139 -12.131 1.00 0.00 C ATOM 292 CE1 TYR A 239 2.083 10.682 -9.414 1.00 0.00 C ATOM 293 CE2 TYR A 239 1.577 9.907 -11.621 1.00 0.00 C ATOM 294 CZ TYR A 239 1.652 9.683 -10.262 1.00 0.00 C ATOM 295 OH TYR A 239 1.296 8.457 -9.750 1.00 0.00 O ATOM 0 H TYR A 239 4.906 13.910 -10.230 1.00 0.00 H new ATOM 0 HA TYR A 239 4.494 12.908 -12.988 1.00 0.00 H new ATOM 0 HB2 TYR A 239 2.505 14.285 -11.140 1.00 0.00 H new ATOM 0 HB3 TYR A 239 2.179 13.703 -12.760 1.00 0.00 H new ATOM 0 HD1 TYR A 239 2.777 12.692 -9.266 1.00 0.00 H new ATOM 0 HD2 TYR A 239 1.876 11.311 -13.196 1.00 0.00 H new ATOM 0 HE1 TYR A 239 2.141 10.504 -8.350 1.00 0.00 H new ATOM 0 HE2 TYR A 239 1.239 9.123 -12.283 1.00 0.00 H new ATOM 0 HH TYR A 239 1.162 7.822 -10.484 1.00 0.00 H new ATOM 305 N LYS A 240 4.342 15.241 -14.004 1.00 0.00 N ATOM 306 CA LYS A 240 4.596 16.538 -14.619 1.00 0.00 C ATOM 307 C LYS A 240 3.337 17.079 -15.290 1.00 0.00 C ATOM 308 O LYS A 240 3.301 18.227 -15.731 1.00 0.00 O ATOM 309 CB LYS A 240 5.725 16.427 -15.646 1.00 0.00 C ATOM 310 CG LYS A 240 6.677 17.611 -15.634 1.00 0.00 C ATOM 311 CD LYS A 240 8.126 17.160 -15.553 1.00 0.00 C ATOM 312 CE LYS A 240 8.695 17.362 -14.156 1.00 0.00 C ATOM 313 NZ LYS A 240 10.093 16.860 -14.049 1.00 0.00 N ATOM 0 H LYS A 240 3.987 14.533 -14.646 1.00 0.00 H new ATOM 0 HA LYS A 240 4.895 17.231 -13.833 1.00 0.00 H new ATOM 0 HB2 LYS A 240 6.290 15.515 -15.455 1.00 0.00 H new ATOM 0 HB3 LYS A 240 5.291 16.330 -16.641 1.00 0.00 H new ATOM 0 HG2 LYS A 240 6.530 18.206 -16.535 1.00 0.00 H new ATOM 0 HG3 LYS A 240 6.447 18.255 -14.785 1.00 0.00 H new ATOM 0 HD2 LYS A 240 8.197 16.107 -15.827 1.00 0.00 H new ATOM 0 HD3 LYS A 240 8.723 17.718 -16.274 1.00 0.00 H new ATOM 0 HE2 LYS A 240 8.669 18.422 -13.903 1.00 0.00 H new ATOM 0 HE3 LYS A 240 8.067 16.846 -13.430 1.00 0.00 H new ATOM 0 HZ1 LYS A 240 10.445 17.016 -13.083 1.00 0.00 H new ATOM 0 HZ2 LYS A 240 10.114 15.843 -14.266 1.00 0.00 H new ATOM 0 HZ3 LYS A 240 10.698 17.370 -14.724 1.00 0.00 H new ATOM 327 N SER A 241 2.305 16.244 -15.361 1.00 0.00 N ATOM 328 CA SER A 241 1.045 16.637 -15.980 1.00 0.00 C ATOM 329 C SER A 241 -0.138 16.247 -15.098 1.00 0.00 C ATOM 330 O SER A 241 -0.037 15.385 -14.225 1.00 0.00 O ATOM 331 CB SER A 241 0.904 15.988 -17.358 1.00 0.00 C ATOM 332 OG SER A 241 1.509 16.785 -18.361 1.00 0.00 O ATOM 0 H SER A 241 2.317 15.291 -14.997 1.00 0.00 H new ATOM 0 HA SER A 241 1.048 17.721 -16.096 1.00 0.00 H new ATOM 0 HB2 SER A 241 1.365 15.000 -17.347 1.00 0.00 H new ATOM 0 HB3 SER A 241 -0.151 15.845 -17.590 1.00 0.00 H new ATOM 0 HG SER A 241 1.407 16.348 -19.232 1.00 0.00 H new ATOM 338 N PRO A 242 -1.288 16.897 -15.332 1.00 0.00 N ATOM 339 CA PRO A 242 -2.514 16.636 -14.571 1.00 0.00 C ATOM 340 C PRO A 242 -3.109 15.267 -14.883 1.00 0.00 C ATOM 341 O PRO A 242 -3.480 14.985 -16.023 1.00 0.00 O ATOM 342 CB PRO A 242 -3.460 17.748 -15.029 1.00 0.00 C ATOM 343 CG PRO A 242 -2.973 18.125 -16.385 1.00 0.00 C ATOM 344 CD PRO A 242 -1.481 17.936 -16.357 1.00 0.00 C ATOM 0 HA PRO A 242 -2.333 16.629 -13.496 1.00 0.00 H new ATOM 0 HB2 PRO A 242 -4.493 17.401 -15.062 1.00 0.00 H new ATOM 0 HB3 PRO A 242 -3.431 18.598 -14.347 1.00 0.00 H new ATOM 0 HG2 PRO A 242 -3.431 17.500 -17.152 1.00 0.00 H new ATOM 0 HG3 PRO A 242 -3.231 19.158 -16.619 1.00 0.00 H new ATOM 0 HD2 PRO A 242 -1.098 17.620 -17.327 1.00 0.00 H new ATOM 0 HD3 PRO A 242 -0.964 18.859 -16.096 1.00 0.00 H new ATOM 352 N THR A 243 -3.199 14.419 -13.863 1.00 0.00 N ATOM 353 CA THR A 243 -3.750 13.080 -14.029 1.00 0.00 C ATOM 354 C THR A 243 -4.857 12.811 -13.017 1.00 0.00 C ATOM 355 O THR A 243 -4.818 13.310 -11.892 1.00 0.00 O ATOM 356 CB THR A 243 -2.660 12.002 -13.879 1.00 0.00 C ATOM 357 OG1 THR A 243 -1.981 11.815 -15.126 1.00 0.00 O ATOM 358 CG2 THR A 243 -3.262 10.683 -13.421 1.00 0.00 C ATOM 0 H THR A 243 -2.897 14.636 -12.913 1.00 0.00 H new ATOM 0 HA THR A 243 -4.163 13.031 -15.036 1.00 0.00 H new ATOM 0 HB THR A 243 -1.949 12.339 -13.125 1.00 0.00 H new ATOM 0 HG1 THR A 243 -1.289 11.129 -15.022 1.00 0.00 H new ATOM 0 HG21 THR A 243 -2.473 9.938 -13.322 1.00 0.00 H new ATOM 0 HG22 THR A 243 -3.752 10.822 -12.458 1.00 0.00 H new ATOM 0 HG23 THR A 243 -3.993 10.343 -14.154 1.00 0.00 H new ATOM 366 N PHE A 244 -5.844 12.019 -13.423 1.00 0.00 N ATOM 367 CA PHE A 244 -6.963 11.683 -12.550 1.00 0.00 C ATOM 368 C PHE A 244 -6.872 10.234 -12.081 1.00 0.00 C ATOM 369 O PHE A 244 -6.611 9.328 -12.874 1.00 0.00 O ATOM 370 CB PHE A 244 -8.290 11.914 -13.276 1.00 0.00 C ATOM 371 CG PHE A 244 -8.509 13.342 -13.685 1.00 0.00 C ATOM 372 CD1 PHE A 244 -7.837 13.876 -14.773 1.00 0.00 C ATOM 373 CD2 PHE A 244 -9.387 14.151 -12.983 1.00 0.00 C ATOM 374 CE1 PHE A 244 -8.036 15.190 -15.151 1.00 0.00 C ATOM 375 CE2 PHE A 244 -9.591 15.467 -13.356 1.00 0.00 C ATOM 376 CZ PHE A 244 -8.915 15.986 -14.443 1.00 0.00 C ATOM 0 H PHE A 244 -5.892 11.598 -14.351 1.00 0.00 H new ATOM 0 HA PHE A 244 -6.917 12.332 -11.676 1.00 0.00 H new ATOM 0 HB2 PHE A 244 -8.325 11.281 -14.163 1.00 0.00 H new ATOM 0 HB3 PHE A 244 -9.109 11.600 -12.628 1.00 0.00 H new ATOM 0 HD1 PHE A 244 -7.150 13.258 -15.332 1.00 0.00 H new ATOM 0 HD2 PHE A 244 -9.919 13.749 -12.133 1.00 0.00 H new ATOM 0 HE1 PHE A 244 -7.504 15.594 -16.000 1.00 0.00 H new ATOM 0 HE2 PHE A 244 -10.277 16.087 -12.799 1.00 0.00 H new ATOM 0 HZ PHE A 244 -9.074 17.013 -14.739 1.00 0.00 H new ATOM 386 N CYS A 245 -7.088 10.023 -10.787 1.00 0.00 N ATOM 387 CA CYS A 245 -7.030 8.685 -10.210 1.00 0.00 C ATOM 388 C CYS A 245 -7.854 7.701 -11.035 1.00 0.00 C ATOM 389 O CYS A 245 -8.903 8.053 -11.573 1.00 0.00 O ATOM 390 CB CYS A 245 -7.536 8.707 -8.767 1.00 0.00 C ATOM 391 SG CYS A 245 -6.836 7.396 -7.713 1.00 0.00 S ATOM 0 H CYS A 245 -7.305 10.762 -10.118 1.00 0.00 H new ATOM 0 HA CYS A 245 -5.990 8.357 -10.218 1.00 0.00 H new ATOM 0 HB2 CYS A 245 -7.302 9.676 -8.326 1.00 0.00 H new ATOM 0 HB3 CYS A 245 -8.622 8.613 -8.773 1.00 0.00 H new ATOM 0 HG CYS A 245 -7.409 7.425 -6.546 1.00 0.00 H new ATOM 396 N GLU A 246 -7.371 6.466 -11.129 1.00 0.00 N ATOM 397 CA GLU A 246 -8.063 5.431 -11.889 1.00 0.00 C ATOM 398 C GLU A 246 -9.078 4.700 -11.013 1.00 0.00 C ATOM 399 O GLU A 246 -9.649 3.687 -11.419 1.00 0.00 O ATOM 400 CB GLU A 246 -7.058 4.432 -12.466 1.00 0.00 C ATOM 401 CG GLU A 246 -6.462 4.868 -13.794 1.00 0.00 C ATOM 402 CD GLU A 246 -5.796 6.228 -13.716 1.00 0.00 C ATOM 403 OE1 GLU A 246 -4.774 6.348 -13.008 1.00 0.00 O ATOM 404 OE2 GLU A 246 -6.296 7.172 -14.363 1.00 0.00 O ATOM 0 H GLU A 246 -6.504 6.158 -10.689 1.00 0.00 H new ATOM 0 HA GLU A 246 -8.596 5.913 -12.709 1.00 0.00 H new ATOM 0 HB2 GLU A 246 -6.252 4.283 -11.747 1.00 0.00 H new ATOM 0 HB3 GLU A 246 -7.550 3.468 -12.597 1.00 0.00 H new ATOM 0 HG2 GLU A 246 -5.731 4.128 -14.120 1.00 0.00 H new ATOM 0 HG3 GLU A 246 -7.248 4.895 -14.549 1.00 0.00 H new ATOM 411 N HIS A 247 -9.296 5.221 -9.810 1.00 0.00 N ATOM 412 CA HIS A 247 -10.242 4.619 -8.877 1.00 0.00 C ATOM 413 C HIS A 247 -11.237 5.657 -8.367 1.00 0.00 C ATOM 414 O HIS A 247 -12.426 5.599 -8.681 1.00 0.00 O ATOM 415 CB HIS A 247 -9.497 3.988 -7.700 1.00 0.00 C ATOM 416 CG HIS A 247 -10.399 3.532 -6.595 1.00 0.00 C ATOM 417 ND1 HIS A 247 -10.924 2.259 -6.529 1.00 0.00 N ATOM 418 CD2 HIS A 247 -10.868 4.187 -5.507 1.00 0.00 C ATOM 419 CE1 HIS A 247 -11.678 2.151 -5.450 1.00 0.00 C ATOM 420 NE2 HIS A 247 -11.661 3.307 -4.812 1.00 0.00 N ATOM 0 H HIS A 247 -8.831 6.058 -9.458 1.00 0.00 H new ATOM 0 HA HIS A 247 -10.794 3.843 -9.407 1.00 0.00 H new ATOM 0 HB2 HIS A 247 -8.919 3.137 -8.061 1.00 0.00 H new ATOM 0 HB3 HIS A 247 -8.785 4.711 -7.302 1.00 0.00 H new ATOM 0 HD2 HIS A 247 -10.658 5.211 -5.236 1.00 0.00 H new ATOM 0 HE1 HIS A 247 -12.217 1.267 -5.142 1.00 0.00 H new ATOM 0 HE2 HIS A 247 -12.156 3.513 -3.944 1.00 0.00 H new ATOM 428 N CYS A 248 -10.744 6.605 -7.577 1.00 0.00 N ATOM 429 CA CYS A 248 -11.589 7.655 -7.022 1.00 0.00 C ATOM 430 C CYS A 248 -11.906 8.713 -8.076 1.00 0.00 C ATOM 431 O CYS A 248 -12.834 9.504 -7.917 1.00 0.00 O ATOM 432 CB CYS A 248 -10.905 8.307 -5.819 1.00 0.00 C ATOM 433 SG CYS A 248 -9.516 9.402 -6.256 1.00 0.00 S ATOM 0 H CYS A 248 -9.762 6.667 -7.307 1.00 0.00 H new ATOM 0 HA CYS A 248 -12.524 7.200 -6.697 1.00 0.00 H new ATOM 0 HB2 CYS A 248 -11.645 8.881 -5.261 1.00 0.00 H new ATOM 0 HB3 CYS A 248 -10.541 7.524 -5.153 1.00 0.00 H new ATOM 0 HG CYS A 248 -8.964 9.856 -5.171 1.00 0.00 H new ATOM 438 N GLY A 249 -11.126 8.719 -9.153 1.00 0.00 N ATOM 439 CA GLY A 249 -11.339 9.683 -10.217 1.00 0.00 C ATOM 440 C GLY A 249 -11.219 11.115 -9.735 1.00 0.00 C ATOM 441 O GLY A 249 -12.119 11.928 -9.948 1.00 0.00 O ATOM 0 H GLY A 249 -10.351 8.074 -9.308 1.00 0.00 H new ATOM 0 HA2 GLY A 249 -10.614 9.508 -11.012 1.00 0.00 H new ATOM 0 HA3 GLY A 249 -12.328 9.530 -10.649 1.00 0.00 H new ATOM 445 N THR A 250 -10.105 11.426 -9.080 1.00 0.00 N ATOM 446 CA THR A 250 -9.872 12.769 -8.563 1.00 0.00 C ATOM 447 C THR A 250 -8.421 13.191 -8.765 1.00 0.00 C ATOM 448 O THR A 250 -7.516 12.355 -8.781 1.00 0.00 O ATOM 449 CB THR A 250 -10.218 12.862 -7.065 1.00 0.00 C ATOM 450 OG1 THR A 250 -9.180 12.260 -6.284 1.00 0.00 O ATOM 451 CG2 THR A 250 -11.543 12.175 -6.772 1.00 0.00 C ATOM 0 H THR A 250 -9.350 10.766 -8.895 1.00 0.00 H new ATOM 0 HA THR A 250 -10.524 13.441 -9.121 1.00 0.00 H new ATOM 0 HB THR A 250 -10.307 13.916 -6.800 1.00 0.00 H new ATOM 0 HG1 THR A 250 -9.430 11.339 -6.062 1.00 0.00 H new ATOM 0 HG21 THR A 250 -11.766 12.254 -5.708 1.00 0.00 H new ATOM 0 HG22 THR A 250 -12.336 12.655 -7.346 1.00 0.00 H new ATOM 0 HG23 THR A 250 -11.478 11.124 -7.052 1.00 0.00 H new ATOM 459 N LEU A 251 -8.205 14.493 -8.918 1.00 0.00 N ATOM 460 CA LEU A 251 -6.862 15.027 -9.118 1.00 0.00 C ATOM 461 C LEU A 251 -5.937 14.617 -7.977 1.00 0.00 C ATOM 462 O LEU A 251 -6.390 14.120 -6.945 1.00 0.00 O ATOM 463 CB LEU A 251 -6.910 16.552 -9.229 1.00 0.00 C ATOM 464 CG LEU A 251 -7.173 17.116 -10.625 1.00 0.00 C ATOM 465 CD1 LEU A 251 -8.667 17.259 -10.871 1.00 0.00 C ATOM 466 CD2 LEU A 251 -6.471 18.455 -10.801 1.00 0.00 C ATOM 0 H LEU A 251 -8.942 15.198 -8.907 1.00 0.00 H new ATOM 0 HA LEU A 251 -6.468 14.614 -10.046 1.00 0.00 H new ATOM 0 HB2 LEU A 251 -7.686 16.921 -8.558 1.00 0.00 H new ATOM 0 HB3 LEU A 251 -5.962 16.952 -8.870 1.00 0.00 H new ATOM 0 HG LEU A 251 -6.770 16.418 -11.359 1.00 0.00 H new ATOM 0 HD11 LEU A 251 -8.834 17.662 -11.870 1.00 0.00 H new ATOM 0 HD12 LEU A 251 -9.144 16.283 -10.789 1.00 0.00 H new ATOM 0 HD13 LEU A 251 -9.095 17.935 -10.131 1.00 0.00 H new ATOM 0 HD21 LEU A 251 -6.670 18.841 -11.801 1.00 0.00 H new ATOM 0 HD22 LEU A 251 -6.843 19.161 -10.059 1.00 0.00 H new ATOM 0 HD23 LEU A 251 -5.397 18.323 -10.670 1.00 0.00 H new ATOM 478 N LEU A 252 -4.640 14.831 -8.168 1.00 0.00 N ATOM 479 CA LEU A 252 -3.650 14.486 -7.153 1.00 0.00 C ATOM 480 C LEU A 252 -3.288 15.704 -6.309 1.00 0.00 C ATOM 481 O LEU A 252 -3.824 16.794 -6.512 1.00 0.00 O ATOM 482 CB LEU A 252 -2.393 13.916 -7.812 1.00 0.00 C ATOM 483 CG LEU A 252 -2.454 12.440 -8.207 1.00 0.00 C ATOM 484 CD1 LEU A 252 -3.024 11.605 -7.071 1.00 0.00 C ATOM 485 CD2 LEU A 252 -3.283 12.260 -9.471 1.00 0.00 C ATOM 0 H LEU A 252 -4.249 15.242 -9.016 1.00 0.00 H new ATOM 0 HA LEU A 252 -4.085 13.730 -6.499 1.00 0.00 H new ATOM 0 HB2 LEU A 252 -2.178 14.502 -8.705 1.00 0.00 H new ATOM 0 HB3 LEU A 252 -1.554 14.055 -7.130 1.00 0.00 H new ATOM 0 HG LEU A 252 -1.439 12.096 -8.409 1.00 0.00 H new ATOM 0 HD11 LEU A 252 -3.059 10.558 -7.371 1.00 0.00 H new ATOM 0 HD12 LEU A 252 -2.391 11.709 -6.190 1.00 0.00 H new ATOM 0 HD13 LEU A 252 -4.031 11.949 -6.836 1.00 0.00 H new ATOM 0 HD21 LEU A 252 -3.316 11.204 -9.737 1.00 0.00 H new ATOM 0 HD22 LEU A 252 -4.296 12.622 -9.296 1.00 0.00 H new ATOM 0 HD23 LEU A 252 -2.831 12.826 -10.286 1.00 0.00 H new ATOM 497 N TRP A 253 -2.374 15.512 -5.365 1.00 0.00 N ATOM 498 CA TRP A 253 -1.939 16.597 -4.492 1.00 0.00 C ATOM 499 C TRP A 253 -0.574 16.292 -3.885 1.00 0.00 C ATOM 500 O TRP A 253 -0.257 15.139 -3.593 1.00 0.00 O ATOM 501 CB TRP A 253 -2.964 16.828 -3.381 1.00 0.00 C ATOM 502 CG TRP A 253 -2.375 17.442 -2.147 1.00 0.00 C ATOM 503 CD1 TRP A 253 -1.745 16.788 -1.127 1.00 0.00 C ATOM 504 CD2 TRP A 253 -2.363 18.832 -1.804 1.00 0.00 C ATOM 505 NE1 TRP A 253 -1.342 17.688 -0.170 1.00 0.00 N ATOM 506 CE2 TRP A 253 -1.709 18.948 -0.562 1.00 0.00 C ATOM 507 CE3 TRP A 253 -2.840 19.989 -2.425 1.00 0.00 C ATOM 508 CZ2 TRP A 253 -1.522 20.176 0.068 1.00 0.00 C ATOM 509 CZ3 TRP A 253 -2.653 21.207 -1.798 1.00 0.00 C ATOM 510 CH2 TRP A 253 -1.998 21.293 -0.563 1.00 0.00 C ATOM 0 H TRP A 253 -1.920 14.617 -5.184 1.00 0.00 H new ATOM 0 HA TRP A 253 -1.855 17.502 -5.093 1.00 0.00 H new ATOM 0 HB2 TRP A 253 -3.757 17.475 -3.757 1.00 0.00 H new ATOM 0 HB3 TRP A 253 -3.426 15.876 -3.119 1.00 0.00 H new ATOM 0 HD1 TRP A 253 -1.587 15.721 -1.080 1.00 0.00 H new ATOM 0 HE1 TRP A 253 -0.849 17.455 0.692 1.00 0.00 H new ATOM 0 HE3 TRP A 253 -3.346 19.933 -3.378 1.00 0.00 H new ATOM 0 HZ2 TRP A 253 -1.019 20.244 1.021 1.00 0.00 H new ATOM 0 HZ3 TRP A 253 -3.018 22.108 -2.269 1.00 0.00 H new ATOM 0 HH2 TRP A 253 -1.866 22.260 -0.100 1.00 0.00 H new ATOM 521 N GLY A 254 0.232 17.333 -3.697 1.00 0.00 N ATOM 522 CA GLY A 254 1.554 17.154 -3.126 1.00 0.00 C ATOM 523 C GLY A 254 2.645 17.757 -3.988 1.00 0.00 C ATOM 524 O GLY A 254 2.368 18.554 -4.886 1.00 0.00 O ATOM 0 H GLY A 254 -0.007 18.297 -3.930 1.00 0.00 H new ATOM 0 HA2 GLY A 254 1.584 17.610 -2.136 1.00 0.00 H new ATOM 0 HA3 GLY A 254 1.748 16.090 -2.992 1.00 0.00 H new ATOM 528 N LEU A 255 3.889 17.378 -3.716 1.00 0.00 N ATOM 529 CA LEU A 255 5.027 17.888 -4.474 1.00 0.00 C ATOM 530 C LEU A 255 5.735 16.761 -5.218 1.00 0.00 C ATOM 531 O LEU A 255 5.668 16.674 -6.443 1.00 0.00 O ATOM 532 CB LEU A 255 6.010 18.595 -3.540 1.00 0.00 C ATOM 533 CG LEU A 255 5.549 19.937 -2.971 1.00 0.00 C ATOM 534 CD1 LEU A 255 6.614 20.525 -2.058 1.00 0.00 C ATOM 535 CD2 LEU A 255 5.214 20.907 -4.095 1.00 0.00 C ATOM 0 H LEU A 255 4.135 16.720 -2.977 1.00 0.00 H new ATOM 0 HA LEU A 255 4.653 18.603 -5.207 1.00 0.00 H new ATOM 0 HB2 LEU A 255 6.233 17.928 -2.708 1.00 0.00 H new ATOM 0 HB3 LEU A 255 6.943 18.754 -4.080 1.00 0.00 H new ATOM 0 HG LEU A 255 4.647 19.768 -2.382 1.00 0.00 H new ATOM 0 HD11 LEU A 255 6.268 21.480 -1.663 1.00 0.00 H new ATOM 0 HD12 LEU A 255 6.805 19.839 -1.233 1.00 0.00 H new ATOM 0 HD13 LEU A 255 7.533 20.678 -2.623 1.00 0.00 H new ATOM 0 HD21 LEU A 255 4.888 21.857 -3.671 1.00 0.00 H new ATOM 0 HD22 LEU A 255 6.098 21.069 -4.711 1.00 0.00 H new ATOM 0 HD23 LEU A 255 4.416 20.491 -4.709 1.00 0.00 H new ATOM 547 N ALA A 256 6.412 15.897 -4.467 1.00 0.00 N ATOM 548 CA ALA A 256 7.129 14.773 -5.055 1.00 0.00 C ATOM 549 C ALA A 256 6.334 13.479 -4.911 1.00 0.00 C ATOM 550 O ALA A 256 5.918 12.881 -5.904 1.00 0.00 O ATOM 551 CB ALA A 256 8.500 14.626 -4.412 1.00 0.00 C ATOM 0 H ALA A 256 6.478 15.955 -3.451 1.00 0.00 H new ATOM 0 HA ALA A 256 7.258 14.973 -6.119 1.00 0.00 H new ATOM 0 HB1 ALA A 256 9.024 13.782 -4.861 1.00 0.00 H new ATOM 0 HB2 ALA A 256 9.076 15.537 -4.571 1.00 0.00 H new ATOM 0 HB3 ALA A 256 8.383 14.453 -3.342 1.00 0.00 H new ATOM 557 N ARG A 257 6.127 13.052 -3.670 1.00 0.00 N ATOM 558 CA ARG A 257 5.384 11.828 -3.396 1.00 0.00 C ATOM 559 C ARG A 257 3.881 12.093 -3.398 1.00 0.00 C ATOM 560 O ARG A 257 3.232 12.041 -2.354 1.00 0.00 O ATOM 561 CB ARG A 257 5.807 11.239 -2.049 1.00 0.00 C ATOM 562 CG ARG A 257 5.036 9.988 -1.663 1.00 0.00 C ATOM 563 CD ARG A 257 5.814 9.139 -0.669 1.00 0.00 C ATOM 564 NE ARG A 257 5.543 9.528 0.712 1.00 0.00 N ATOM 565 CZ ARG A 257 6.177 10.515 1.336 1.00 0.00 C ATOM 566 NH1 ARG A 257 7.112 11.210 0.703 1.00 0.00 N ATOM 567 NH2 ARG A 257 5.875 10.809 2.594 1.00 0.00 N ATOM 0 H ARG A 257 6.464 13.536 -2.838 1.00 0.00 H new ATOM 0 HA ARG A 257 5.611 11.111 -4.185 1.00 0.00 H new ATOM 0 HB2 ARG A 257 6.871 11.004 -2.083 1.00 0.00 H new ATOM 0 HB3 ARG A 257 5.671 11.993 -1.274 1.00 0.00 H new ATOM 0 HG2 ARG A 257 4.076 10.270 -1.230 1.00 0.00 H new ATOM 0 HG3 ARG A 257 4.822 9.401 -2.556 1.00 0.00 H new ATOM 0 HD2 ARG A 257 5.555 8.089 -0.808 1.00 0.00 H new ATOM 0 HD3 ARG A 257 6.881 9.233 -0.869 1.00 0.00 H new ATOM 0 HE ARG A 257 4.828 9.014 1.226 1.00 0.00 H new ATOM 0 HH11 ARG A 257 7.346 10.987 -0.265 1.00 0.00 H new ATOM 0 HH12 ARG A 257 7.598 11.967 1.184 1.00 0.00 H new ATOM 0 HH21 ARG A 257 5.155 10.277 3.083 1.00 0.00 H new ATOM 0 HH22 ARG A 257 6.363 11.567 3.072 1.00 0.00 H new ATOM 581 N GLN A 258 3.337 12.378 -4.577 1.00 0.00 N ATOM 582 CA GLN A 258 1.911 12.651 -4.713 1.00 0.00 C ATOM 583 C GLN A 258 1.105 11.357 -4.702 1.00 0.00 C ATOM 584 O GLN A 258 0.170 11.203 -3.918 1.00 0.00 O ATOM 585 CB GLN A 258 1.641 13.424 -6.005 1.00 0.00 C ATOM 586 CG GLN A 258 1.999 14.899 -5.919 1.00 0.00 C ATOM 587 CD GLN A 258 2.251 15.519 -7.279 1.00 0.00 C ATOM 588 OE1 GLN A 258 3.352 15.991 -7.564 1.00 0.00 O ATOM 589 NE2 GLN A 258 1.230 15.522 -8.127 1.00 0.00 N ATOM 0 H GLN A 258 3.861 12.426 -5.451 1.00 0.00 H new ATOM 0 HA GLN A 258 1.599 13.257 -3.863 1.00 0.00 H new ATOM 0 HB2 GLN A 258 2.208 12.968 -6.816 1.00 0.00 H new ATOM 0 HB3 GLN A 258 0.586 13.329 -6.261 1.00 0.00 H new ATOM 0 HG2 GLN A 258 1.191 15.437 -5.423 1.00 0.00 H new ATOM 0 HG3 GLN A 258 2.888 15.018 -5.300 1.00 0.00 H new ATOM 0 HE21 GLN A 258 0.335 15.120 -7.849 1.00 0.00 H new ATOM 0 HE22 GLN A 258 1.341 15.926 -9.057 1.00 0.00 H new ATOM 598 N GLY A 259 1.474 10.428 -5.579 1.00 0.00 N ATOM 599 CA GLY A 259 0.773 9.159 -5.654 1.00 0.00 C ATOM 600 C GLY A 259 1.706 7.998 -5.937 1.00 0.00 C ATOM 601 O GLY A 259 2.867 8.010 -5.525 1.00 0.00 O ATOM 0 H GLY A 259 2.245 10.531 -6.238 1.00 0.00 H new ATOM 0 HA2 GLY A 259 0.250 8.980 -4.715 1.00 0.00 H new ATOM 0 HA3 GLY A 259 0.015 9.211 -6.436 1.00 0.00 H new ATOM 605 N LEU A 260 1.199 6.992 -6.641 1.00 0.00 N ATOM 606 CA LEU A 260 1.994 5.817 -6.978 1.00 0.00 C ATOM 607 C LEU A 260 1.723 5.368 -8.410 1.00 0.00 C ATOM 608 O LEU A 260 0.651 5.622 -8.960 1.00 0.00 O ATOM 609 CB LEU A 260 1.689 4.675 -6.007 1.00 0.00 C ATOM 610 CG LEU A 260 1.708 5.033 -4.521 1.00 0.00 C ATOM 611 CD1 LEU A 260 0.783 4.115 -3.738 1.00 0.00 C ATOM 612 CD2 LEU A 260 3.126 4.960 -3.973 1.00 0.00 C ATOM 0 H LEU A 260 0.241 6.967 -6.989 1.00 0.00 H new ATOM 0 HA LEU A 260 3.047 6.086 -6.894 1.00 0.00 H new ATOM 0 HB2 LEU A 260 0.706 4.271 -6.250 1.00 0.00 H new ATOM 0 HB3 LEU A 260 2.412 3.878 -6.177 1.00 0.00 H new ATOM 0 HG LEU A 260 1.349 6.056 -4.409 1.00 0.00 H new ATOM 0 HD11 LEU A 260 0.810 4.385 -2.682 1.00 0.00 H new ATOM 0 HD12 LEU A 260 -0.235 4.218 -4.113 1.00 0.00 H new ATOM 0 HD13 LEU A 260 1.110 3.082 -3.856 1.00 0.00 H new ATOM 0 HD21 LEU A 260 3.121 5.218 -2.914 1.00 0.00 H new ATOM 0 HD22 LEU A 260 3.513 3.949 -4.098 1.00 0.00 H new ATOM 0 HD23 LEU A 260 3.762 5.661 -4.514 1.00 0.00 H new ATOM 624 N LYS A 261 2.702 4.698 -9.010 1.00 0.00 N ATOM 625 CA LYS A 261 2.569 4.210 -10.378 1.00 0.00 C ATOM 626 C LYS A 261 2.978 2.744 -10.474 1.00 0.00 C ATOM 627 O LYS A 261 4.150 2.404 -10.314 1.00 0.00 O ATOM 628 CB LYS A 261 3.424 5.053 -11.327 1.00 0.00 C ATOM 629 CG LYS A 261 3.011 4.936 -12.784 1.00 0.00 C ATOM 630 CD LYS A 261 3.553 3.665 -13.417 1.00 0.00 C ATOM 631 CE LYS A 261 5.074 3.647 -13.413 1.00 0.00 C ATOM 632 NZ LYS A 261 5.621 2.797 -14.507 1.00 0.00 N ATOM 0 H LYS A 261 3.596 4.481 -8.570 1.00 0.00 H new ATOM 0 HA LYS A 261 1.522 4.297 -10.669 1.00 0.00 H new ATOM 0 HB2 LYS A 261 3.365 6.098 -11.024 1.00 0.00 H new ATOM 0 HB3 LYS A 261 4.467 4.751 -11.228 1.00 0.00 H new ATOM 0 HG2 LYS A 261 1.923 4.945 -12.857 1.00 0.00 H new ATOM 0 HG3 LYS A 261 3.374 5.802 -13.337 1.00 0.00 H new ATOM 0 HD2 LYS A 261 3.176 2.798 -12.875 1.00 0.00 H new ATOM 0 HD3 LYS A 261 3.189 3.583 -14.441 1.00 0.00 H new ATOM 0 HE2 LYS A 261 5.450 4.665 -13.521 1.00 0.00 H new ATOM 0 HE3 LYS A 261 5.430 3.276 -12.452 1.00 0.00 H new ATOM 0 HZ1 LYS A 261 6.660 2.811 -14.471 1.00 0.00 H new ATOM 0 HZ2 LYS A 261 5.283 1.820 -14.390 1.00 0.00 H new ATOM 0 HZ3 LYS A 261 5.302 3.166 -15.426 1.00 0.00 H new ATOM 646 N CYS A 262 2.004 1.879 -10.738 1.00 0.00 N ATOM 647 CA CYS A 262 2.262 0.449 -10.857 1.00 0.00 C ATOM 648 C CYS A 262 3.357 0.178 -11.885 1.00 0.00 C ATOM 649 O CYS A 262 3.255 0.594 -13.039 1.00 0.00 O ATOM 650 CB CYS A 262 0.982 -0.290 -11.251 1.00 0.00 C ATOM 651 SG CYS A 262 1.042 -2.088 -10.960 1.00 0.00 S ATOM 0 H CYS A 262 1.028 2.144 -10.874 1.00 0.00 H new ATOM 0 HA CYS A 262 2.600 0.084 -9.887 1.00 0.00 H new ATOM 0 HB2 CYS A 262 0.146 0.130 -10.692 1.00 0.00 H new ATOM 0 HB3 CYS A 262 0.782 -0.110 -12.307 1.00 0.00 H new ATOM 0 HG CYS A 262 -0.157 -2.582 -11.049 1.00 0.00 H new ATOM 656 N ASP A 263 4.401 -0.523 -11.458 1.00 0.00 N ATOM 657 CA ASP A 263 5.514 -0.851 -12.341 1.00 0.00 C ATOM 658 C ASP A 263 5.254 -2.160 -13.079 1.00 0.00 C ATOM 659 O ASP A 263 6.131 -2.681 -13.768 1.00 0.00 O ATOM 660 CB ASP A 263 6.815 -0.952 -11.542 1.00 0.00 C ATOM 661 CG ASP A 263 8.033 -0.597 -12.371 1.00 0.00 C ATOM 662 OD1 ASP A 263 7.884 -0.420 -13.598 1.00 0.00 O ATOM 663 OD2 ASP A 263 9.136 -0.496 -11.793 1.00 0.00 O ATOM 0 H ASP A 263 4.500 -0.875 -10.506 1.00 0.00 H new ATOM 0 HA ASP A 263 5.609 -0.052 -13.076 1.00 0.00 H new ATOM 0 HB2 ASP A 263 6.760 -0.288 -10.679 1.00 0.00 H new ATOM 0 HB3 ASP A 263 6.924 -1.966 -11.158 1.00 0.00 H new ATOM 668 N ALA A 264 4.043 -2.688 -12.929 1.00 0.00 N ATOM 669 CA ALA A 264 3.667 -3.935 -13.582 1.00 0.00 C ATOM 670 C ALA A 264 2.786 -3.674 -14.799 1.00 0.00 C ATOM 671 O ALA A 264 3.022 -4.220 -15.878 1.00 0.00 O ATOM 672 CB ALA A 264 2.954 -4.852 -12.599 1.00 0.00 C ATOM 0 H ALA A 264 3.306 -2.271 -12.361 1.00 0.00 H new ATOM 0 HA ALA A 264 4.578 -4.426 -13.924 1.00 0.00 H new ATOM 0 HB1 ALA A 264 2.679 -5.780 -13.101 1.00 0.00 H new ATOM 0 HB2 ALA A 264 3.617 -5.074 -11.763 1.00 0.00 H new ATOM 0 HB3 ALA A 264 2.055 -4.360 -12.229 1.00 0.00 H new ATOM 678 N CYS A 265 1.770 -2.836 -14.620 1.00 0.00 N ATOM 679 CA CYS A 265 0.853 -2.503 -15.703 1.00 0.00 C ATOM 680 C CYS A 265 0.986 -1.035 -16.096 1.00 0.00 C ATOM 681 O CYS A 265 1.042 -0.700 -17.279 1.00 0.00 O ATOM 682 CB CYS A 265 -0.589 -2.802 -15.288 1.00 0.00 C ATOM 683 SG CYS A 265 -1.167 -1.835 -13.857 1.00 0.00 S ATOM 0 H CYS A 265 1.561 -2.375 -13.734 1.00 0.00 H new ATOM 0 HA CYS A 265 1.111 -3.117 -16.566 1.00 0.00 H new ATOM 0 HB2 CYS A 265 -1.247 -2.607 -16.135 1.00 0.00 H new ATOM 0 HB3 CYS A 265 -0.676 -3.863 -15.055 1.00 0.00 H new ATOM 0 HG CYS A 265 -0.321 -1.960 -12.878 1.00 0.00 H new ATOM 688 N GLY A 266 1.037 -0.162 -15.094 1.00 0.00 N ATOM 689 CA GLY A 266 1.163 1.260 -15.356 1.00 0.00 C ATOM 690 C GLY A 266 -0.104 2.025 -15.029 1.00 0.00 C ATOM 691 O GLY A 266 -0.699 2.655 -15.902 1.00 0.00 O ATOM 0 H GLY A 266 0.993 -0.414 -14.107 1.00 0.00 H new ATOM 0 HA2 GLY A 266 1.988 1.663 -14.769 1.00 0.00 H new ATOM 0 HA3 GLY A 266 1.415 1.412 -16.406 1.00 0.00 H new ATOM 695 N MET A 267 -0.519 1.967 -13.768 1.00 0.00 N ATOM 696 CA MET A 267 -1.725 2.660 -13.328 1.00 0.00 C ATOM 697 C MET A 267 -1.421 3.595 -12.162 1.00 0.00 C ATOM 698 O MET A 267 -0.881 3.172 -11.141 1.00 0.00 O ATOM 699 CB MET A 267 -2.799 1.650 -12.921 1.00 0.00 C ATOM 700 CG MET A 267 -4.200 2.238 -12.871 1.00 0.00 C ATOM 701 SD MET A 267 -5.261 1.407 -11.674 1.00 0.00 S ATOM 702 CE MET A 267 -4.631 -0.267 -11.768 1.00 0.00 C ATOM 0 H MET A 267 -0.039 1.448 -13.033 1.00 0.00 H new ATOM 0 HA MET A 267 -2.095 3.257 -14.161 1.00 0.00 H new ATOM 0 HB2 MET A 267 -2.788 0.818 -13.625 1.00 0.00 H new ATOM 0 HB3 MET A 267 -2.550 1.242 -11.941 1.00 0.00 H new ATOM 0 HG2 MET A 267 -4.136 3.297 -12.620 1.00 0.00 H new ATOM 0 HG3 MET A 267 -4.653 2.171 -13.860 1.00 0.00 H new ATOM 0 HE1 MET A 267 -5.415 -0.967 -11.480 1.00 0.00 H new ATOM 0 HE2 MET A 267 -4.312 -0.479 -12.788 1.00 0.00 H new ATOM 0 HE3 MET A 267 -3.782 -0.375 -11.093 1.00 0.00 H new ATOM 712 N ASN A 268 -1.771 4.867 -12.322 1.00 0.00 N ATOM 713 CA ASN A 268 -1.534 5.862 -11.282 1.00 0.00 C ATOM 714 C ASN A 268 -2.711 5.927 -10.314 1.00 0.00 C ATOM 715 O ASN A 268 -3.835 6.242 -10.706 1.00 0.00 O ATOM 716 CB ASN A 268 -1.297 7.238 -11.908 1.00 0.00 C ATOM 717 CG ASN A 268 -0.092 7.255 -12.829 1.00 0.00 C ATOM 718 OD1 ASN A 268 1.023 6.936 -12.415 1.00 0.00 O ATOM 719 ND2 ASN A 268 -0.312 7.627 -14.084 1.00 0.00 N ATOM 0 H ASN A 268 -2.220 5.233 -13.162 1.00 0.00 H new ATOM 0 HA ASN A 268 -0.645 5.566 -10.726 1.00 0.00 H new ATOM 0 HB2 ASN A 268 -2.183 7.537 -12.468 1.00 0.00 H new ATOM 0 HB3 ASN A 268 -1.157 7.975 -11.117 1.00 0.00 H new ATOM 0 HD21 ASN A 268 0.460 7.657 -14.750 1.00 0.00 H new ATOM 0 HD22 ASN A 268 -1.253 7.883 -14.383 1.00 0.00 H new ATOM 726 N VAL A 269 -2.445 5.627 -9.047 1.00 0.00 N ATOM 727 CA VAL A 269 -3.481 5.653 -8.021 1.00 0.00 C ATOM 728 C VAL A 269 -2.951 6.243 -6.719 1.00 0.00 C ATOM 729 O VAL A 269 -1.781 6.068 -6.376 1.00 0.00 O ATOM 730 CB VAL A 269 -4.032 4.241 -7.744 1.00 0.00 C ATOM 731 CG1 VAL A 269 -4.678 3.665 -8.995 1.00 0.00 C ATOM 732 CG2 VAL A 269 -2.927 3.328 -7.236 1.00 0.00 C ATOM 0 H VAL A 269 -1.521 5.363 -8.706 1.00 0.00 H new ATOM 0 HA VAL A 269 -4.286 6.282 -8.401 1.00 0.00 H new ATOM 0 HB VAL A 269 -4.796 4.314 -6.970 1.00 0.00 H new ATOM 0 HG11 VAL A 269 -5.061 2.667 -8.780 1.00 0.00 H new ATOM 0 HG12 VAL A 269 -5.499 4.309 -9.310 1.00 0.00 H new ATOM 0 HG13 VAL A 269 -3.937 3.605 -9.792 1.00 0.00 H new ATOM 0 HG21 VAL A 269 -3.334 2.335 -7.046 1.00 0.00 H new ATOM 0 HG22 VAL A 269 -2.139 3.259 -7.985 1.00 0.00 H new ATOM 0 HG23 VAL A 269 -2.515 3.734 -6.312 1.00 0.00 H new ATOM 742 N HIS A 270 -3.819 6.944 -5.997 1.00 0.00 N ATOM 743 CA HIS A 270 -3.438 7.561 -4.731 1.00 0.00 C ATOM 744 C HIS A 270 -2.759 6.547 -3.815 1.00 0.00 C ATOM 745 O HIS A 270 -2.575 5.387 -4.185 1.00 0.00 O ATOM 746 CB HIS A 270 -4.667 8.150 -4.037 1.00 0.00 C ATOM 747 CG HIS A 270 -5.027 9.522 -4.518 1.00 0.00 C ATOM 748 ND1 HIS A 270 -6.182 9.794 -5.220 1.00 0.00 N ATOM 749 CD2 HIS A 270 -4.377 10.702 -4.393 1.00 0.00 C ATOM 750 CE1 HIS A 270 -6.226 11.083 -5.508 1.00 0.00 C ATOM 751 NE2 HIS A 270 -5.142 11.657 -5.017 1.00 0.00 N ATOM 0 H HIS A 270 -4.790 7.099 -6.266 1.00 0.00 H new ATOM 0 HA HIS A 270 -2.731 8.363 -4.944 1.00 0.00 H new ATOM 0 HB2 HIS A 270 -5.516 7.485 -4.194 1.00 0.00 H new ATOM 0 HB3 HIS A 270 -4.485 8.187 -2.963 1.00 0.00 H new ATOM 0 HD1 HIS A 270 -6.892 9.108 -5.477 1.00 0.00 H new ATOM 0 HD2 HIS A 270 -3.432 10.863 -3.895 1.00 0.00 H new ATOM 0 HE1 HIS A 270 -7.014 11.582 -6.052 1.00 0.00 H new ATOM 759 N HIS A 271 -2.388 6.992 -2.619 1.00 0.00 N ATOM 760 CA HIS A 271 -1.729 6.123 -1.651 1.00 0.00 C ATOM 761 C HIS A 271 -2.732 5.173 -1.002 1.00 0.00 C ATOM 762 O HIS A 271 -2.427 4.005 -0.759 1.00 0.00 O ATOM 763 CB HIS A 271 -1.032 6.958 -0.576 1.00 0.00 C ATOM 764 CG HIS A 271 -0.210 8.081 -1.130 1.00 0.00 C ATOM 765 ND1 HIS A 271 0.966 7.883 -1.823 1.00 0.00 N ATOM 766 CD2 HIS A 271 -0.401 9.421 -1.092 1.00 0.00 C ATOM 767 CE1 HIS A 271 1.464 9.051 -2.185 1.00 0.00 C ATOM 768 NE2 HIS A 271 0.653 10.001 -1.754 1.00 0.00 N ATOM 0 H HIS A 271 -2.532 7.949 -2.297 1.00 0.00 H new ATOM 0 HA HIS A 271 -0.983 5.530 -2.181 1.00 0.00 H new ATOM 0 HB2 HIS A 271 -1.784 7.367 0.099 1.00 0.00 H new ATOM 0 HB3 HIS A 271 -0.390 6.308 0.018 1.00 0.00 H new ATOM 0 HD2 HIS A 271 -1.228 9.937 -0.628 1.00 0.00 H new ATOM 0 HE1 HIS A 271 2.378 9.204 -2.739 1.00 0.00 H new ATOM 0 HE2 HIS A 271 0.788 11.003 -1.891 1.00 0.00 H new ATOM 776 N ARG A 272 -3.927 5.683 -0.724 1.00 0.00 N ATOM 777 CA ARG A 272 -4.974 4.880 -0.102 1.00 0.00 C ATOM 778 C ARG A 272 -5.803 4.155 -1.158 1.00 0.00 C ATOM 779 O ARG A 272 -6.121 2.974 -1.009 1.00 0.00 O ATOM 780 CB ARG A 272 -5.881 5.763 0.756 1.00 0.00 C ATOM 781 CG ARG A 272 -5.401 5.918 2.190 1.00 0.00 C ATOM 782 CD ARG A 272 -5.922 4.797 3.076 1.00 0.00 C ATOM 783 NE ARG A 272 -7.295 5.038 3.513 1.00 0.00 N ATOM 784 CZ ARG A 272 -7.615 5.834 4.527 1.00 0.00 C ATOM 785 NH1 ARG A 272 -6.665 6.463 5.205 1.00 0.00 N ATOM 786 NH2 ARG A 272 -8.887 6.003 4.865 1.00 0.00 N ATOM 0 H ARG A 272 -4.195 6.648 -0.919 1.00 0.00 H new ATOM 0 HA ARG A 272 -4.496 4.135 0.534 1.00 0.00 H new ATOM 0 HB2 ARG A 272 -5.953 6.749 0.297 1.00 0.00 H new ATOM 0 HB3 ARG A 272 -6.886 5.340 0.762 1.00 0.00 H new ATOM 0 HG2 ARG A 272 -4.311 5.924 2.211 1.00 0.00 H new ATOM 0 HG3 ARG A 272 -5.733 6.879 2.584 1.00 0.00 H new ATOM 0 HD2 ARG A 272 -5.875 3.854 2.532 1.00 0.00 H new ATOM 0 HD3 ARG A 272 -5.277 4.695 3.948 1.00 0.00 H new ATOM 0 HE ARG A 272 -8.050 4.569 3.012 1.00 0.00 H new ATOM 0 HH11 ARG A 272 -5.686 6.336 4.948 1.00 0.00 H new ATOM 0 HH12 ARG A 272 -6.913 7.074 5.983 1.00 0.00 H new ATOM 0 HH21 ARG A 272 -9.621 5.521 4.346 1.00 0.00 H new ATOM 0 HH22 ARG A 272 -9.131 6.615 5.644 1.00 0.00 H new ATOM 800 N CYS A 273 -6.149 4.869 -2.223 1.00 0.00 N ATOM 801 CA CYS A 273 -6.942 4.295 -3.304 1.00 0.00 C ATOM 802 C CYS A 273 -6.344 2.971 -3.773 1.00 0.00 C ATOM 803 O CYS A 273 -7.044 2.126 -4.330 1.00 0.00 O ATOM 804 CB CYS A 273 -7.027 5.273 -4.477 1.00 0.00 C ATOM 805 SG CYS A 273 -8.009 6.767 -4.130 1.00 0.00 S ATOM 0 H CYS A 273 -5.893 5.847 -2.361 1.00 0.00 H new ATOM 0 HA CYS A 273 -7.946 4.106 -2.924 1.00 0.00 H new ATOM 0 HB2 CYS A 273 -6.018 5.572 -4.760 1.00 0.00 H new ATOM 0 HB3 CYS A 273 -7.460 4.758 -5.335 1.00 0.00 H new ATOM 0 HG CYS A 273 -9.227 6.426 -3.830 1.00 0.00 H new ATOM 810 N GLN A 274 -5.046 2.800 -3.543 1.00 0.00 N ATOM 811 CA GLN A 274 -4.355 1.580 -3.943 1.00 0.00 C ATOM 812 C GLN A 274 -4.948 0.363 -3.241 1.00 0.00 C ATOM 813 O GLN A 274 -4.997 -0.731 -3.804 1.00 0.00 O ATOM 814 CB GLN A 274 -2.862 1.688 -3.627 1.00 0.00 C ATOM 815 CG GLN A 274 -2.511 1.294 -2.202 1.00 0.00 C ATOM 816 CD GLN A 274 -1.095 1.678 -1.822 1.00 0.00 C ATOM 817 OE1 GLN A 274 -0.208 1.746 -2.673 1.00 0.00 O ATOM 818 NE2 GLN A 274 -0.875 1.932 -0.537 1.00 0.00 N ATOM 0 H GLN A 274 -4.453 3.490 -3.082 1.00 0.00 H new ATOM 0 HA GLN A 274 -4.484 1.455 -5.018 1.00 0.00 H new ATOM 0 HB2 GLN A 274 -2.306 1.054 -4.318 1.00 0.00 H new ATOM 0 HB3 GLN A 274 -2.535 2.713 -3.802 1.00 0.00 H new ATOM 0 HG2 GLN A 274 -3.210 1.771 -1.515 1.00 0.00 H new ATOM 0 HG3 GLN A 274 -2.635 0.217 -2.086 1.00 0.00 H new ATOM 0 HE21 GLN A 274 -1.640 1.864 0.135 1.00 0.00 H new ATOM 0 HE22 GLN A 274 0.059 2.196 -0.222 1.00 0.00 H new ATOM 827 N THR A 275 -5.399 0.560 -2.005 1.00 0.00 N ATOM 828 CA THR A 275 -5.987 -0.521 -1.225 1.00 0.00 C ATOM 829 C THR A 275 -7.428 -0.783 -1.648 1.00 0.00 C ATOM 830 O THR A 275 -8.160 -1.513 -0.979 1.00 0.00 O ATOM 831 CB THR A 275 -5.956 -0.208 0.282 1.00 0.00 C ATOM 832 OG1 THR A 275 -6.589 1.052 0.534 1.00 0.00 O ATOM 833 CG2 THR A 275 -4.525 -0.174 0.798 1.00 0.00 C ATOM 0 H THR A 275 -5.368 1.459 -1.524 1.00 0.00 H new ATOM 0 HA THR A 275 -5.387 -1.411 -1.416 1.00 0.00 H new ATOM 0 HB THR A 275 -6.496 -0.997 0.806 1.00 0.00 H new ATOM 0 HG1 THR A 275 -6.057 1.771 0.134 1.00 0.00 H new ATOM 0 HG21 THR A 275 -4.528 0.049 1.865 1.00 0.00 H new ATOM 0 HG22 THR A 275 -4.055 -1.143 0.631 1.00 0.00 H new ATOM 0 HG23 THR A 275 -3.965 0.597 0.268 1.00 0.00 H new ATOM 841 N LYS A 276 -7.830 -0.184 -2.764 1.00 0.00 N ATOM 842 CA LYS A 276 -9.184 -0.354 -3.279 1.00 0.00 C ATOM 843 C LYS A 276 -9.170 -1.084 -4.618 1.00 0.00 C ATOM 844 O LYS A 276 -10.087 -1.842 -4.933 1.00 0.00 O ATOM 845 CB LYS A 276 -9.866 1.007 -3.435 1.00 0.00 C ATOM 846 CG LYS A 276 -9.471 2.012 -2.368 1.00 0.00 C ATOM 847 CD LYS A 276 -9.755 1.484 -0.972 1.00 0.00 C ATOM 848 CE LYS A 276 -11.226 1.625 -0.611 1.00 0.00 C ATOM 849 NZ LYS A 276 -12.015 0.432 -1.025 1.00 0.00 N ATOM 0 H LYS A 276 -7.237 0.424 -3.329 1.00 0.00 H new ATOM 0 HA LYS A 276 -9.745 -0.956 -2.564 1.00 0.00 H new ATOM 0 HB2 LYS A 276 -9.622 1.416 -4.415 1.00 0.00 H new ATOM 0 HB3 LYS A 276 -10.947 0.867 -3.408 1.00 0.00 H new ATOM 0 HG2 LYS A 276 -8.410 2.245 -2.461 1.00 0.00 H new ATOM 0 HG3 LYS A 276 -10.016 2.943 -2.524 1.00 0.00 H new ATOM 0 HD2 LYS A 276 -9.464 0.435 -0.912 1.00 0.00 H new ATOM 0 HD3 LYS A 276 -9.148 2.025 -0.247 1.00 0.00 H new ATOM 0 HE2 LYS A 276 -11.324 1.770 0.465 1.00 0.00 H new ATOM 0 HE3 LYS A 276 -11.634 2.515 -1.091 1.00 0.00 H new ATOM 0 HZ1 LYS A 276 -12.498 0.630 -1.925 1.00 0.00 H new ATOM 0 HZ2 LYS A 276 -11.378 -0.381 -1.146 1.00 0.00 H new ATOM 0 HZ3 LYS A 276 -12.722 0.212 -0.294 1.00 0.00 H new ATOM 863 N VAL A 277 -8.121 -0.853 -5.402 1.00 0.00 N ATOM 864 CA VAL A 277 -7.986 -1.491 -6.706 1.00 0.00 C ATOM 865 C VAL A 277 -7.861 -3.004 -6.567 1.00 0.00 C ATOM 866 O VAL A 277 -7.463 -3.510 -5.518 1.00 0.00 O ATOM 867 CB VAL A 277 -6.761 -0.954 -7.469 1.00 0.00 C ATOM 868 CG1 VAL A 277 -6.961 -1.099 -8.970 1.00 0.00 C ATOM 869 CG2 VAL A 277 -6.495 0.497 -7.096 1.00 0.00 C ATOM 0 H VAL A 277 -7.353 -0.229 -5.156 1.00 0.00 H new ATOM 0 HA VAL A 277 -8.888 -1.254 -7.269 1.00 0.00 H new ATOM 0 HB VAL A 277 -5.890 -1.544 -7.184 1.00 0.00 H new ATOM 0 HG11 VAL A 277 -6.085 -0.714 -9.493 1.00 0.00 H new ATOM 0 HG12 VAL A 277 -7.099 -2.151 -9.219 1.00 0.00 H new ATOM 0 HG13 VAL A 277 -7.843 -0.535 -9.276 1.00 0.00 H new ATOM 0 HG21 VAL A 277 -5.626 0.860 -7.644 1.00 0.00 H new ATOM 0 HG22 VAL A 277 -7.364 1.103 -7.351 1.00 0.00 H new ATOM 0 HG23 VAL A 277 -6.304 0.568 -6.025 1.00 0.00 H new ATOM 879 N ALA A 278 -8.204 -3.721 -7.632 1.00 0.00 N ATOM 880 CA ALA A 278 -8.128 -5.176 -7.630 1.00 0.00 C ATOM 881 C ALA A 278 -6.689 -5.651 -7.795 1.00 0.00 C ATOM 882 O ALA A 278 -5.872 -4.980 -8.425 1.00 0.00 O ATOM 883 CB ALA A 278 -9.005 -5.752 -8.732 1.00 0.00 C ATOM 0 H ALA A 278 -8.537 -3.317 -8.507 1.00 0.00 H new ATOM 0 HA ALA A 278 -8.493 -5.532 -6.667 1.00 0.00 H new ATOM 0 HB1 ALA A 278 -8.938 -6.840 -8.719 1.00 0.00 H new ATOM 0 HB2 ALA A 278 -10.039 -5.450 -8.569 1.00 0.00 H new ATOM 0 HB3 ALA A 278 -8.666 -5.380 -9.699 1.00 0.00 H new ATOM 889 N ASN A 279 -6.384 -6.812 -7.223 1.00 0.00 N ATOM 890 CA ASN A 279 -5.041 -7.375 -7.306 1.00 0.00 C ATOM 891 C ASN A 279 -4.876 -8.203 -8.578 1.00 0.00 C ATOM 892 O ASN A 279 -4.119 -9.173 -8.606 1.00 0.00 O ATOM 893 CB ASN A 279 -4.753 -8.243 -6.079 1.00 0.00 C ATOM 894 CG ASN A 279 -4.371 -7.418 -4.865 1.00 0.00 C ATOM 895 OD1 ASN A 279 -3.557 -7.842 -4.045 1.00 0.00 O ATOM 896 ND2 ASN A 279 -4.959 -6.233 -4.746 1.00 0.00 N ATOM 0 H ASN A 279 -7.048 -7.381 -6.698 1.00 0.00 H new ATOM 0 HA ASN A 279 -4.329 -6.550 -7.335 1.00 0.00 H new ATOM 0 HB2 ASN A 279 -5.634 -8.842 -5.846 1.00 0.00 H new ATOM 0 HB3 ASN A 279 -3.947 -8.939 -6.311 1.00 0.00 H new ATOM 0 HD21 ASN A 279 -4.742 -5.633 -3.950 1.00 0.00 H new ATOM 0 HD22 ASN A 279 -5.628 -5.923 -5.451 1.00 0.00 H new ATOM 903 N LEU A 280 -5.590 -7.812 -9.628 1.00 0.00 N ATOM 904 CA LEU A 280 -5.522 -8.516 -10.904 1.00 0.00 C ATOM 905 C LEU A 280 -4.674 -7.743 -11.908 1.00 0.00 C ATOM 906 O LEU A 280 -5.184 -7.235 -12.907 1.00 0.00 O ATOM 907 CB LEU A 280 -6.929 -8.731 -11.465 1.00 0.00 C ATOM 908 CG LEU A 280 -7.814 -9.715 -10.700 1.00 0.00 C ATOM 909 CD1 LEU A 280 -7.421 -11.148 -11.024 1.00 0.00 C ATOM 910 CD2 LEU A 280 -7.724 -9.461 -9.203 1.00 0.00 C ATOM 0 H LEU A 280 -6.222 -7.012 -9.621 1.00 0.00 H new ATOM 0 HA LEU A 280 -5.054 -9.485 -10.732 1.00 0.00 H new ATOM 0 HB2 LEU A 280 -7.436 -7.767 -11.498 1.00 0.00 H new ATOM 0 HB3 LEU A 280 -6.839 -9.079 -12.494 1.00 0.00 H new ATOM 0 HG LEU A 280 -8.847 -9.563 -11.012 1.00 0.00 H new ATOM 0 HD11 LEU A 280 -8.061 -11.835 -10.471 1.00 0.00 H new ATOM 0 HD12 LEU A 280 -7.538 -11.324 -12.093 1.00 0.00 H new ATOM 0 HD13 LEU A 280 -6.382 -11.313 -10.741 1.00 0.00 H new ATOM 0 HD21 LEU A 280 -8.360 -10.171 -8.675 1.00 0.00 H new ATOM 0 HD22 LEU A 280 -6.692 -9.584 -8.874 1.00 0.00 H new ATOM 0 HD23 LEU A 280 -8.055 -8.445 -8.986 1.00 0.00 H new ATOM 922 N CYS A 281 -3.375 -7.660 -11.638 1.00 0.00 N ATOM 923 CA CYS A 281 -2.455 -6.951 -12.519 1.00 0.00 C ATOM 924 C CYS A 281 -1.831 -7.904 -13.535 1.00 0.00 C ATOM 925 O CYS A 281 -0.968 -8.713 -13.195 1.00 0.00 O ATOM 926 CB CYS A 281 -1.356 -6.271 -11.700 1.00 0.00 C ATOM 927 SG CYS A 281 -0.210 -5.259 -12.691 1.00 0.00 S ATOM 0 H CYS A 281 -2.936 -8.075 -10.816 1.00 0.00 H new ATOM 0 HA CYS A 281 -3.020 -6.192 -13.059 1.00 0.00 H new ATOM 0 HB2 CYS A 281 -1.820 -5.639 -10.943 1.00 0.00 H new ATOM 0 HB3 CYS A 281 -0.786 -7.035 -11.172 1.00 0.00 H new ATOM 0 HG CYS A 281 -0.744 -4.096 -12.919 1.00 0.00 H new ATOM 932 N GLY A 282 -2.275 -7.802 -14.784 1.00 0.00 N ATOM 933 CA GLY A 282 -1.750 -8.660 -15.830 1.00 0.00 C ATOM 934 C GLY A 282 -2.827 -9.504 -16.482 1.00 0.00 C ATOM 935 O GLY A 282 -2.703 -9.890 -17.645 1.00 0.00 O ATOM 0 H GLY A 282 -2.989 -7.141 -15.090 1.00 0.00 H new ATOM 0 HA2 GLY A 282 -1.264 -8.047 -16.589 1.00 0.00 H new ATOM 0 HA3 GLY A 282 -0.985 -9.313 -15.410 1.00 0.00 H new ATOM 939 N ILE A 283 -3.885 -9.793 -15.732 1.00 0.00 N ATOM 940 CA ILE A 283 -4.987 -10.598 -16.245 1.00 0.00 C ATOM 941 C ILE A 283 -5.666 -9.912 -17.426 1.00 0.00 C ATOM 942 O ILE A 283 -6.251 -10.570 -18.286 1.00 0.00 O ATOM 943 CB ILE A 283 -6.038 -10.873 -15.153 1.00 0.00 C ATOM 944 CG1 ILE A 283 -5.388 -11.561 -13.951 1.00 0.00 C ATOM 945 CG2 ILE A 283 -7.169 -11.725 -15.710 1.00 0.00 C ATOM 946 CD1 ILE A 283 -4.244 -12.478 -14.325 1.00 0.00 C ATOM 0 H ILE A 283 -4.003 -9.482 -14.768 1.00 0.00 H new ATOM 0 HA ILE A 283 -4.560 -11.545 -16.575 1.00 0.00 H new ATOM 0 HB ILE A 283 -6.455 -9.922 -14.822 1.00 0.00 H new ATOM 0 HG12 ILE A 283 -5.023 -10.800 -13.261 1.00 0.00 H new ATOM 0 HG13 ILE A 283 -6.145 -12.137 -13.419 1.00 0.00 H new ATOM 0 HG21 ILE A 283 -7.904 -11.911 -14.927 1.00 0.00 H new ATOM 0 HG22 ILE A 283 -7.646 -11.200 -16.538 1.00 0.00 H new ATOM 0 HG23 ILE A 283 -6.768 -12.675 -16.065 1.00 0.00 H new ATOM 0 HD11 ILE A 283 -3.831 -12.931 -13.424 1.00 0.00 H new ATOM 0 HD12 ILE A 283 -4.608 -13.261 -14.991 1.00 0.00 H new ATOM 0 HD13 ILE A 283 -3.468 -11.904 -14.830 1.00 0.00 H new ATOM 958 N ASN A 284 -5.581 -8.587 -17.462 1.00 0.00 N ATOM 959 CA ASN A 284 -6.186 -7.811 -18.539 1.00 0.00 C ATOM 960 C ASN A 284 -5.243 -6.708 -19.011 1.00 0.00 C ATOM 961 O ASN A 284 -4.807 -5.871 -18.222 1.00 0.00 O ATOM 962 CB ASN A 284 -7.510 -7.202 -18.075 1.00 0.00 C ATOM 963 CG ASN A 284 -7.855 -5.929 -18.825 1.00 0.00 C ATOM 964 OD1 ASN A 284 -8.197 -5.966 -20.007 1.00 0.00 O ATOM 965 ND2 ASN A 284 -7.766 -4.796 -18.139 1.00 0.00 N ATOM 0 H ASN A 284 -5.099 -8.028 -16.758 1.00 0.00 H new ATOM 0 HA ASN A 284 -6.377 -8.484 -19.375 1.00 0.00 H new ATOM 0 HB2 ASN A 284 -8.310 -7.930 -18.213 1.00 0.00 H new ATOM 0 HB3 ASN A 284 -7.454 -6.988 -17.008 1.00 0.00 H new ATOM 0 HD21 ASN A 284 -7.985 -3.908 -18.590 1.00 0.00 H new ATOM 0 HD22 ASN A 284 -7.478 -4.813 -17.161 1.00 0.00 H new