USER MOD reduce.3.24.130724 H: found=0, std=0, add=433, rem=0, adj=20 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 -136:sc= -0.0316 USER MOD Set 1.2: A 248 CYS SG : rot 180:sc= 0.376 USER MOD Set 1.3: A 250 THR OG1 : rot -64:sc= 0.862 USER MOD Set 1.4: A 270 HIS : no HE2:sc= -11.6! C(o=-12!,f=-13!) USER MOD Set 1.5: A 273 CYS SG : rot -167:sc= -1.46 USER MOD Set 2.1: A 237 TYR OH : rot 64:sc= 0.906 USER MOD Set 2.2: A 268 ASN : amide:sc= -1.27 K(o=-0.36,f=-1.8!) USER MOD Set 3.1: A 232 HIS : no HE2:sc= -1.44 K(o=-9.8,f=-12) USER MOD Set 3.2: A 262 CYS SG : rot -22:sc= -2.38 USER MOD Set 3.3: A 265 CYS SG : rot -56:sc= -0.0143 USER MOD Set 3.4: A 267 MET CE :methyl 177:sc= -2.69 (180deg=-1.77) USER MOD Set 3.5: A 281 CYS SG : rot 142:sc= -3.26! USER MOD Single : A 230 MET CE :methyl -127:sc= -0.0013 (180deg=-0.157) USER MOD Single : A 235 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 238 ASN : amide:sc= -0.22 X(o=-0.22,f=-0.0013) USER MOD Single : A 239 TYR OH : rot 150:sc= -0.624 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 :FLIP no HD1:sc= -2.66 F(o=-3.6!,f=-2.7) USER MOD Single : A 258 GLN : amide:sc=-0.00873 K(o=-0.0087,f=-1.5!) USER MOD Single : A 261 LYS NZ :NH3+ 170:sc=-0.00749 (180deg=-0.12) USER MOD Single : A 271 HIS : no HE2:sc= -0.264 K(o=-0.26,f=-3.2!) USER MOD Single : A 274 GLN : amide:sc= -0.847 K(o=-0.85,f=-1.4) USER MOD Single : A 275 THR OG1 : rot -60:sc= 0.669 USER MOD Single : A 276 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 279 ASN : amide:sc= -1.19 X(o=-1.2,f=-1.1!) USER MOD Single : A 284 ASN :FLIP amide:sc= -0.0344 F(o=-1.9!,f=-0.034) USER MOD ----------------------------------------------------------------- ATOM 107 N ASP A 229 -2.332 -14.297 -8.065 1.00 0.00 N ATOM 108 CA ASP A 229 -2.703 -12.901 -7.862 1.00 0.00 C ATOM 109 C ASP A 229 -1.486 -11.991 -7.996 1.00 0.00 C ATOM 110 O ASP A 229 -0.471 -12.194 -7.331 1.00 0.00 O ATOM 111 CB ASP A 229 -3.346 -12.716 -6.487 1.00 0.00 C ATOM 112 CG ASP A 229 -2.683 -13.564 -5.419 1.00 0.00 C ATOM 113 OD1 ASP A 229 -2.871 -14.798 -5.441 1.00 0.00 O ATOM 114 OD2 ASP A 229 -1.976 -12.994 -4.562 1.00 0.00 O ATOM 0 HA ASP A 229 -3.425 -12.627 -8.631 1.00 0.00 H new ATOM 0 HB2 ASP A 229 -3.289 -11.666 -6.201 1.00 0.00 H new ATOM 0 HB3 ASP A 229 -4.404 -12.973 -6.546 1.00 0.00 H new ATOM 119 N MET A 230 -1.597 -10.987 -8.860 1.00 0.00 N ATOM 120 CA MET A 230 -0.505 -10.045 -9.080 1.00 0.00 C ATOM 121 C MET A 230 -0.908 -8.637 -8.653 1.00 0.00 C ATOM 122 O MET A 230 -1.552 -7.897 -9.398 1.00 0.00 O ATOM 123 CB MET A 230 -0.092 -10.046 -10.553 1.00 0.00 C ATOM 124 CG MET A 230 0.692 -11.281 -10.963 1.00 0.00 C ATOM 125 SD MET A 230 0.643 -11.576 -12.741 1.00 0.00 S ATOM 126 CE MET A 230 -1.016 -12.225 -12.931 1.00 0.00 C ATOM 0 H MET A 230 -2.431 -10.805 -9.419 1.00 0.00 H new ATOM 0 HA MET A 230 0.343 -10.361 -8.472 1.00 0.00 H new ATOM 0 HB2 MET A 230 -0.986 -9.971 -11.172 1.00 0.00 H new ATOM 0 HB3 MET A 230 0.510 -9.160 -10.754 1.00 0.00 H new ATOM 0 HG2 MET A 230 1.729 -11.170 -10.645 1.00 0.00 H new ATOM 0 HG3 MET A 230 0.290 -12.151 -10.443 1.00 0.00 H new ATOM 0 HE1 MET A 230 -0.976 -13.177 -13.459 1.00 0.00 H new ATOM 0 HE2 MET A 230 -1.463 -12.374 -11.948 1.00 0.00 H new ATOM 0 HE3 MET A 230 -1.620 -11.519 -13.501 1.00 0.00 H new ATOM 136 N PRO A 231 -0.522 -8.256 -7.426 1.00 0.00 N ATOM 137 CA PRO A 231 -0.832 -6.934 -6.874 1.00 0.00 C ATOM 138 C PRO A 231 -0.060 -5.819 -7.570 1.00 0.00 C ATOM 139 O PRO A 231 1.165 -5.877 -7.686 1.00 0.00 O ATOM 140 CB PRO A 231 -0.400 -7.051 -5.410 1.00 0.00 C ATOM 141 CG PRO A 231 0.643 -8.115 -5.407 1.00 0.00 C ATOM 142 CD PRO A 231 0.247 -9.086 -6.485 1.00 0.00 C ATOM 0 HA PRO A 231 -1.883 -6.675 -7.003 1.00 0.00 H new ATOM 0 HB2 PRO A 231 -0.003 -6.107 -5.038 1.00 0.00 H new ATOM 0 HB3 PRO A 231 -1.240 -7.318 -4.769 1.00 0.00 H new ATOM 0 HG2 PRO A 231 1.629 -7.695 -5.603 1.00 0.00 H new ATOM 0 HG3 PRO A 231 0.694 -8.609 -4.437 1.00 0.00 H new ATOM 0 HD2 PRO A 231 1.119 -9.533 -6.963 1.00 0.00 H new ATOM 0 HD3 PRO A 231 -0.353 -9.904 -6.088 1.00 0.00 H new ATOM 150 N HIS A 232 -0.782 -4.803 -8.032 1.00 0.00 N ATOM 151 CA HIS A 232 -0.163 -3.673 -8.716 1.00 0.00 C ATOM 152 C HIS A 232 1.082 -3.202 -7.970 1.00 0.00 C ATOM 153 O HIS A 232 1.001 -2.768 -6.821 1.00 0.00 O ATOM 154 CB HIS A 232 -1.160 -2.521 -8.847 1.00 0.00 C ATOM 155 CG HIS A 232 -2.403 -2.887 -9.598 1.00 0.00 C ATOM 156 ND1 HIS A 232 -2.425 -3.095 -10.961 1.00 0.00 N ATOM 157 CD2 HIS A 232 -3.672 -3.083 -9.169 1.00 0.00 C ATOM 158 CE1 HIS A 232 -3.653 -3.402 -11.338 1.00 0.00 C ATOM 159 NE2 HIS A 232 -4.429 -3.402 -10.269 1.00 0.00 N ATOM 0 H HIS A 232 -1.796 -4.739 -7.945 1.00 0.00 H new ATOM 0 HA HIS A 232 0.134 -4.001 -9.712 1.00 0.00 H new ATOM 0 HB2 HIS A 232 -1.436 -2.175 -7.851 1.00 0.00 H new ATOM 0 HB3 HIS A 232 -0.674 -1.686 -9.351 1.00 0.00 H new ATOM 0 HD1 HIS A 232 -1.619 -3.023 -11.581 1.00 0.00 H new ATOM 0 HD2 HIS A 232 -4.023 -3.003 -8.151 1.00 0.00 H new ATOM 0 HE1 HIS A 232 -3.969 -3.617 -12.348 1.00 0.00 H new ATOM 167 N ARG A 233 2.231 -3.292 -8.632 1.00 0.00 N ATOM 168 CA ARG A 233 3.493 -2.877 -8.031 1.00 0.00 C ATOM 169 C ARG A 233 3.580 -1.356 -7.945 1.00 0.00 C ATOM 170 O ARG A 233 4.415 -0.734 -8.602 1.00 0.00 O ATOM 171 CB ARG A 233 4.671 -3.421 -8.840 1.00 0.00 C ATOM 172 CG ARG A 233 4.963 -4.890 -8.578 1.00 0.00 C ATOM 173 CD ARG A 233 5.902 -5.466 -9.626 1.00 0.00 C ATOM 174 NE ARG A 233 7.192 -4.781 -9.642 1.00 0.00 N ATOM 175 CZ ARG A 233 8.113 -4.927 -8.696 1.00 0.00 C ATOM 176 NH1 ARG A 233 7.888 -5.729 -7.665 1.00 0.00 N ATOM 177 NH2 ARG A 233 9.262 -4.269 -8.780 1.00 0.00 N ATOM 0 H ARG A 233 2.314 -3.648 -9.584 1.00 0.00 H new ATOM 0 HA ARG A 233 3.536 -3.284 -7.021 1.00 0.00 H new ATOM 0 HB2 ARG A 233 4.466 -3.284 -9.902 1.00 0.00 H new ATOM 0 HB3 ARG A 233 5.561 -2.835 -8.609 1.00 0.00 H new ATOM 0 HG2 ARG A 233 5.406 -5.003 -7.589 1.00 0.00 H new ATOM 0 HG3 ARG A 233 4.030 -5.453 -8.575 1.00 0.00 H new ATOM 0 HD2 ARG A 233 6.057 -6.527 -9.429 1.00 0.00 H new ATOM 0 HD3 ARG A 233 5.438 -5.389 -10.609 1.00 0.00 H new ATOM 0 HE ARG A 233 7.397 -4.157 -10.422 1.00 0.00 H new ATOM 0 HH11 ARG A 233 7.006 -6.236 -7.596 1.00 0.00 H new ATOM 0 HH12 ARG A 233 8.597 -5.839 -6.940 1.00 0.00 H new ATOM 0 HH21 ARG A 233 9.439 -3.650 -9.571 1.00 0.00 H new ATOM 0 HH22 ARG A 233 9.969 -4.382 -8.053 1.00 0.00 H new ATOM 191 N PHE A 234 2.712 -0.764 -7.132 1.00 0.00 N ATOM 192 CA PHE A 234 2.689 0.684 -6.962 1.00 0.00 C ATOM 193 C PHE A 234 4.019 1.188 -6.409 1.00 0.00 C ATOM 194 O PHE A 234 4.619 0.562 -5.534 1.00 0.00 O ATOM 195 CB PHE A 234 1.549 1.092 -6.026 1.00 0.00 C ATOM 196 CG PHE A 234 0.189 0.714 -6.540 1.00 0.00 C ATOM 197 CD1 PHE A 234 -0.251 1.167 -7.773 1.00 0.00 C ATOM 198 CD2 PHE A 234 -0.651 -0.093 -5.788 1.00 0.00 C ATOM 199 CE1 PHE A 234 -1.502 0.821 -8.249 1.00 0.00 C ATOM 200 CE2 PHE A 234 -1.902 -0.442 -6.259 1.00 0.00 C ATOM 201 CZ PHE A 234 -2.329 0.016 -7.490 1.00 0.00 C ATOM 0 H PHE A 234 2.015 -1.265 -6.580 1.00 0.00 H new ATOM 0 HA PHE A 234 2.526 1.136 -7.940 1.00 0.00 H new ATOM 0 HB2 PHE A 234 1.704 0.626 -5.053 1.00 0.00 H new ATOM 0 HB3 PHE A 234 1.584 2.170 -5.872 1.00 0.00 H new ATOM 0 HD1 PHE A 234 0.391 1.798 -8.370 1.00 0.00 H new ATOM 0 HD2 PHE A 234 -0.324 -0.453 -4.824 1.00 0.00 H new ATOM 0 HE1 PHE A 234 -1.832 1.180 -9.213 1.00 0.00 H new ATOM 0 HE2 PHE A 234 -2.546 -1.073 -5.665 1.00 0.00 H new ATOM 0 HZ PHE A 234 -3.307 -0.255 -7.858 1.00 0.00 H new ATOM 211 N LYS A 235 4.476 2.323 -6.926 1.00 0.00 N ATOM 212 CA LYS A 235 5.735 2.913 -6.486 1.00 0.00 C ATOM 213 C LYS A 235 5.644 4.436 -6.464 1.00 0.00 C ATOM 214 O LYS A 235 5.171 5.053 -7.418 1.00 0.00 O ATOM 215 CB LYS A 235 6.877 2.473 -7.405 1.00 0.00 C ATOM 216 CG LYS A 235 7.362 1.059 -7.139 1.00 0.00 C ATOM 217 CD LYS A 235 8.477 1.036 -6.107 1.00 0.00 C ATOM 218 CE LYS A 235 7.927 0.927 -4.693 1.00 0.00 C ATOM 219 NZ LYS A 235 8.874 0.227 -3.782 1.00 0.00 N ATOM 0 H LYS A 235 3.993 2.853 -7.651 1.00 0.00 H new ATOM 0 HA LYS A 235 5.937 2.564 -5.473 1.00 0.00 H new ATOM 0 HB2 LYS A 235 6.547 2.546 -8.441 1.00 0.00 H new ATOM 0 HB3 LYS A 235 7.713 3.163 -7.288 1.00 0.00 H new ATOM 0 HG2 LYS A 235 6.530 0.448 -6.790 1.00 0.00 H new ATOM 0 HG3 LYS A 235 7.717 0.614 -8.069 1.00 0.00 H new ATOM 0 HD2 LYS A 235 9.141 0.195 -6.306 1.00 0.00 H new ATOM 0 HD3 LYS A 235 9.076 1.942 -6.197 1.00 0.00 H new ATOM 0 HE2 LYS A 235 7.721 1.925 -4.306 1.00 0.00 H new ATOM 0 HE3 LYS A 235 6.978 0.390 -4.713 1.00 0.00 H new ATOM 0 HZ1 LYS A 235 8.463 0.173 -2.828 1.00 0.00 H new ATOM 0 HZ2 LYS A 235 9.051 -0.734 -4.137 1.00 0.00 H new ATOM 0 HZ3 LYS A 235 9.771 0.752 -3.743 1.00 0.00 H new ATOM 233 N VAL A 236 6.101 5.035 -5.369 1.00 0.00 N ATOM 234 CA VAL A 236 6.074 6.486 -5.224 1.00 0.00 C ATOM 235 C VAL A 236 6.896 7.163 -6.314 1.00 0.00 C ATOM 236 O VAL A 236 8.088 6.894 -6.465 1.00 0.00 O ATOM 237 CB VAL A 236 6.609 6.922 -3.847 1.00 0.00 C ATOM 238 CG1 VAL A 236 6.976 8.398 -3.860 1.00 0.00 C ATOM 239 CG2 VAL A 236 5.585 6.629 -2.761 1.00 0.00 C ATOM 0 H VAL A 236 6.494 4.538 -4.570 1.00 0.00 H new ATOM 0 HA VAL A 236 5.032 6.794 -5.315 1.00 0.00 H new ATOM 0 HB VAL A 236 7.511 6.350 -3.629 1.00 0.00 H new ATOM 0 HG11 VAL A 236 7.352 8.688 -2.879 1.00 0.00 H new ATOM 0 HG12 VAL A 236 7.746 8.575 -4.611 1.00 0.00 H new ATOM 0 HG13 VAL A 236 6.093 8.990 -4.100 1.00 0.00 H new ATOM 0 HG21 VAL A 236 5.979 6.943 -1.795 1.00 0.00 H new ATOM 0 HG22 VAL A 236 4.665 7.174 -2.972 1.00 0.00 H new ATOM 0 HG23 VAL A 236 5.376 5.560 -2.737 1.00 0.00 H new ATOM 249 N TYR A 237 6.253 8.043 -7.072 1.00 0.00 N ATOM 250 CA TYR A 237 6.924 8.758 -8.151 1.00 0.00 C ATOM 251 C TYR A 237 6.371 10.173 -8.293 1.00 0.00 C ATOM 252 O TYR A 237 5.301 10.489 -7.774 1.00 0.00 O ATOM 253 CB TYR A 237 6.764 8.001 -9.470 1.00 0.00 C ATOM 254 CG TYR A 237 5.503 8.358 -10.224 1.00 0.00 C ATOM 255 CD1 TYR A 237 4.255 7.962 -9.758 1.00 0.00 C ATOM 256 CD2 TYR A 237 5.559 9.093 -11.402 1.00 0.00 C ATOM 257 CE1 TYR A 237 3.101 8.286 -10.444 1.00 0.00 C ATOM 258 CE2 TYR A 237 4.409 9.422 -12.094 1.00 0.00 C ATOM 259 CZ TYR A 237 3.183 9.016 -11.611 1.00 0.00 C ATOM 260 OH TYR A 237 2.035 9.341 -12.297 1.00 0.00 O ATOM 0 H TYR A 237 5.267 8.279 -6.959 1.00 0.00 H new ATOM 0 HA TYR A 237 7.984 8.824 -7.905 1.00 0.00 H new ATOM 0 HB2 TYR A 237 7.627 8.206 -10.104 1.00 0.00 H new ATOM 0 HB3 TYR A 237 6.765 6.930 -9.267 1.00 0.00 H new ATOM 0 HD1 TYR A 237 4.186 7.391 -8.844 1.00 0.00 H new ATOM 0 HD2 TYR A 237 6.518 9.413 -11.783 1.00 0.00 H new ATOM 0 HE1 TYR A 237 2.139 7.969 -10.068 1.00 0.00 H new ATOM 0 HE2 TYR A 237 4.470 9.994 -13.008 1.00 0.00 H new ATOM 0 HH TYR A 237 1.479 9.929 -11.744 1.00 0.00 H new ATOM 270 N ASN A 238 7.109 11.021 -9.002 1.00 0.00 N ATOM 271 CA ASN A 238 6.694 12.403 -9.214 1.00 0.00 C ATOM 272 C ASN A 238 5.851 12.530 -10.479 1.00 0.00 C ATOM 273 O ASN A 238 6.251 12.078 -11.552 1.00 0.00 O ATOM 274 CB ASN A 238 7.918 13.316 -9.310 1.00 0.00 C ATOM 275 CG ASN A 238 8.486 13.668 -7.948 1.00 0.00 C ATOM 276 OD1 ASN A 238 8.499 14.833 -7.550 1.00 0.00 O ATOM 277 ND2 ASN A 238 8.958 12.658 -7.226 1.00 0.00 N ATOM 0 H ASN A 238 7.997 10.776 -9.439 1.00 0.00 H new ATOM 0 HA ASN A 238 6.087 12.708 -8.362 1.00 0.00 H new ATOM 0 HB2 ASN A 238 8.688 12.825 -9.906 1.00 0.00 H new ATOM 0 HB3 ASN A 238 7.644 14.232 -9.834 1.00 0.00 H new ATOM 0 HD21 ASN A 238 9.352 12.832 -6.301 1.00 0.00 H new ATOM 0 HD22 ASN A 238 8.927 11.708 -7.596 1.00 0.00 H new ATOM 284 N TYR A 239 4.684 13.149 -10.345 1.00 0.00 N ATOM 285 CA TYR A 239 3.783 13.334 -11.477 1.00 0.00 C ATOM 286 C TYR A 239 4.223 14.516 -12.336 1.00 0.00 C ATOM 287 O TYR A 239 4.360 15.638 -11.847 1.00 0.00 O ATOM 288 CB TYR A 239 2.351 13.553 -10.985 1.00 0.00 C ATOM 289 CG TYR A 239 1.637 12.273 -10.613 1.00 0.00 C ATOM 290 CD1 TYR A 239 1.947 11.597 -9.439 1.00 0.00 C ATOM 291 CD2 TYR A 239 0.653 11.738 -11.436 1.00 0.00 C ATOM 292 CE1 TYR A 239 1.297 10.427 -9.095 1.00 0.00 C ATOM 293 CE2 TYR A 239 -0.003 10.570 -11.099 1.00 0.00 C ATOM 294 CZ TYR A 239 0.323 9.918 -9.928 1.00 0.00 C ATOM 295 OH TYR A 239 -0.326 8.753 -9.590 1.00 0.00 O ATOM 0 H TYR A 239 4.339 13.531 -9.464 1.00 0.00 H new ATOM 0 HA TYR A 239 3.817 12.431 -12.087 1.00 0.00 H new ATOM 0 HB2 TYR A 239 2.370 14.214 -10.118 1.00 0.00 H new ATOM 0 HB3 TYR A 239 1.783 14.064 -11.762 1.00 0.00 H new ATOM 0 HD1 TYR A 239 2.709 11.993 -8.784 1.00 0.00 H new ATOM 0 HD2 TYR A 239 0.397 12.244 -12.355 1.00 0.00 H new ATOM 0 HE1 TYR A 239 1.550 9.914 -8.179 1.00 0.00 H new ATOM 0 HE2 TYR A 239 -0.767 10.169 -11.749 1.00 0.00 H new ATOM 0 HH TYR A 239 -1.236 8.768 -9.954 1.00 0.00 H new ATOM 305 N LYS A 240 4.443 14.255 -13.620 1.00 0.00 N ATOM 306 CA LYS A 240 4.865 15.295 -14.551 1.00 0.00 C ATOM 307 C LYS A 240 3.698 15.759 -15.416 1.00 0.00 C ATOM 308 O LYS A 240 3.826 16.704 -16.193 1.00 0.00 O ATOM 309 CB LYS A 240 6.000 14.782 -15.440 1.00 0.00 C ATOM 310 CG LYS A 240 7.370 14.873 -14.790 1.00 0.00 C ATOM 311 CD LYS A 240 8.477 14.938 -15.829 1.00 0.00 C ATOM 312 CE LYS A 240 8.823 13.556 -16.362 1.00 0.00 C ATOM 313 NZ LYS A 240 9.833 13.620 -17.455 1.00 0.00 N ATOM 0 H LYS A 240 4.336 13.332 -14.040 1.00 0.00 H new ATOM 0 HA LYS A 240 5.222 16.145 -13.969 1.00 0.00 H new ATOM 0 HB2 LYS A 240 5.801 13.744 -15.706 1.00 0.00 H new ATOM 0 HB3 LYS A 240 6.009 15.352 -16.369 1.00 0.00 H new ATOM 0 HG2 LYS A 240 7.414 15.757 -14.154 1.00 0.00 H new ATOM 0 HG3 LYS A 240 7.526 14.008 -14.145 1.00 0.00 H new ATOM 0 HD2 LYS A 240 8.166 15.580 -16.653 1.00 0.00 H new ATOM 0 HD3 LYS A 240 9.365 15.392 -15.389 1.00 0.00 H new ATOM 0 HE2 LYS A 240 9.206 12.939 -15.549 1.00 0.00 H new ATOM 0 HE3 LYS A 240 7.919 13.072 -16.731 1.00 0.00 H new ATOM 0 HZ1 LYS A 240 10.042 12.658 -17.791 1.00 0.00 H new ATOM 0 HZ2 LYS A 240 9.458 14.188 -18.241 1.00 0.00 H new ATOM 0 HZ3 LYS A 240 10.705 14.059 -17.096 1.00 0.00 H new ATOM 327 N SER A 241 2.559 15.087 -15.274 1.00 0.00 N ATOM 328 CA SER A 241 1.370 15.429 -16.045 1.00 0.00 C ATOM 329 C SER A 241 0.109 15.265 -15.201 1.00 0.00 C ATOM 330 O SER A 241 0.062 14.474 -14.258 1.00 0.00 O ATOM 331 CB SER A 241 1.277 14.553 -17.296 1.00 0.00 C ATOM 332 OG SER A 241 2.319 14.855 -18.208 1.00 0.00 O ATOM 0 H SER A 241 2.435 14.304 -14.633 1.00 0.00 H new ATOM 0 HA SER A 241 1.452 16.473 -16.347 1.00 0.00 H new ATOM 0 HB2 SER A 241 1.331 13.502 -17.013 1.00 0.00 H new ATOM 0 HB3 SER A 241 0.312 14.704 -17.779 1.00 0.00 H new ATOM 0 HG SER A 241 2.239 14.281 -18.998 1.00 0.00 H new ATOM 338 N PRO A 242 -0.937 16.029 -15.546 1.00 0.00 N ATOM 339 CA PRO A 242 -2.218 15.986 -14.834 1.00 0.00 C ATOM 340 C PRO A 242 -2.969 14.680 -15.069 1.00 0.00 C ATOM 341 O PRO A 242 -3.780 14.575 -15.989 1.00 0.00 O ATOM 342 CB PRO A 242 -2.994 17.164 -15.428 1.00 0.00 C ATOM 343 CG PRO A 242 -2.404 17.362 -16.782 1.00 0.00 C ATOM 344 CD PRO A 242 -0.951 16.993 -16.659 1.00 0.00 C ATOM 0 HA PRO A 242 -2.086 16.047 -13.754 1.00 0.00 H new ATOM 0 HB2 PRO A 242 -4.060 16.945 -15.489 1.00 0.00 H new ATOM 0 HB3 PRO A 242 -2.886 18.059 -14.815 1.00 0.00 H new ATOM 0 HG2 PRO A 242 -2.904 16.736 -17.521 1.00 0.00 H new ATOM 0 HG3 PRO A 242 -2.518 18.395 -17.110 1.00 0.00 H new ATOM 0 HD2 PRO A 242 -0.570 16.550 -17.579 1.00 0.00 H new ATOM 0 HD3 PRO A 242 -0.332 17.864 -16.444 1.00 0.00 H new ATOM 352 N THR A 243 -2.694 13.686 -14.231 1.00 0.00 N ATOM 353 CA THR A 243 -3.343 12.386 -14.348 1.00 0.00 C ATOM 354 C THR A 243 -4.575 12.304 -13.454 1.00 0.00 C ATOM 355 O THR A 243 -4.729 13.089 -12.518 1.00 0.00 O ATOM 356 CB THR A 243 -2.380 11.242 -13.982 1.00 0.00 C ATOM 357 OG1 THR A 243 -1.132 11.415 -14.663 1.00 0.00 O ATOM 358 CG2 THR A 243 -2.979 9.892 -14.346 1.00 0.00 C ATOM 0 H THR A 243 -2.026 13.756 -13.463 1.00 0.00 H new ATOM 0 HA THR A 243 -3.645 12.277 -15.390 1.00 0.00 H new ATOM 0 HB THR A 243 -2.213 11.269 -12.905 1.00 0.00 H new ATOM 0 HG1 THR A 243 -0.525 10.684 -14.423 1.00 0.00 H new ATOM 0 HG21 THR A 243 -2.280 9.100 -14.078 1.00 0.00 H new ATOM 0 HG22 THR A 243 -3.914 9.750 -13.803 1.00 0.00 H new ATOM 0 HG23 THR A 243 -3.173 9.857 -15.418 1.00 0.00 H new ATOM 366 N PHE A 244 -5.450 11.348 -13.746 1.00 0.00 N ATOM 367 CA PHE A 244 -6.670 11.163 -12.968 1.00 0.00 C ATOM 368 C PHE A 244 -6.746 9.748 -12.404 1.00 0.00 C ATOM 369 O PHE A 244 -6.672 8.767 -13.146 1.00 0.00 O ATOM 370 CB PHE A 244 -7.900 11.447 -13.833 1.00 0.00 C ATOM 371 CG PHE A 244 -7.830 12.759 -14.562 1.00 0.00 C ATOM 372 CD1 PHE A 244 -7.830 13.955 -13.864 1.00 0.00 C ATOM 373 CD2 PHE A 244 -7.767 12.794 -15.946 1.00 0.00 C ATOM 374 CE1 PHE A 244 -7.766 15.164 -14.531 1.00 0.00 C ATOM 375 CE2 PHE A 244 -7.702 14.000 -16.619 1.00 0.00 C ATOM 376 CZ PHE A 244 -7.703 15.186 -15.911 1.00 0.00 C ATOM 0 H PHE A 244 -5.337 10.689 -14.516 1.00 0.00 H new ATOM 0 HA PHE A 244 -6.650 11.866 -12.135 1.00 0.00 H new ATOM 0 HB2 PHE A 244 -8.017 10.643 -14.559 1.00 0.00 H new ATOM 0 HB3 PHE A 244 -8.788 11.438 -13.201 1.00 0.00 H new ATOM 0 HD1 PHE A 244 -7.881 13.943 -12.785 1.00 0.00 H new ATOM 0 HD2 PHE A 244 -7.769 11.870 -16.505 1.00 0.00 H new ATOM 0 HE1 PHE A 244 -7.765 16.090 -13.975 1.00 0.00 H new ATOM 0 HE2 PHE A 244 -7.650 14.015 -17.698 1.00 0.00 H new ATOM 0 HZ PHE A 244 -7.655 16.129 -16.435 1.00 0.00 H new ATOM 386 N CYS A 245 -6.894 9.649 -11.088 1.00 0.00 N ATOM 387 CA CYS A 245 -6.979 8.354 -10.422 1.00 0.00 C ATOM 388 C CYS A 245 -7.963 7.437 -11.142 1.00 0.00 C ATOM 389 O CYS A 245 -8.962 7.895 -11.696 1.00 0.00 O ATOM 390 CB CYS A 245 -7.406 8.534 -8.964 1.00 0.00 C ATOM 391 SG CYS A 245 -6.763 7.255 -7.838 1.00 0.00 S ATOM 0 H CYS A 245 -6.958 10.450 -10.460 1.00 0.00 H new ATOM 0 HA CYS A 245 -5.992 7.893 -10.450 1.00 0.00 H new ATOM 0 HB2 CYS A 245 -7.070 9.511 -8.616 1.00 0.00 H new ATOM 0 HB3 CYS A 245 -8.495 8.534 -8.913 1.00 0.00 H new ATOM 0 HG CYS A 245 -7.710 6.867 -7.036 1.00 0.00 H new ATOM 396 N GLU A 246 -7.673 6.139 -11.127 1.00 0.00 N ATOM 397 CA GLU A 246 -8.533 5.158 -11.779 1.00 0.00 C ATOM 398 C GLU A 246 -9.577 4.618 -10.806 1.00 0.00 C ATOM 399 O GLU A 246 -10.409 3.786 -11.170 1.00 0.00 O ATOM 400 CB GLU A 246 -7.695 4.005 -12.337 1.00 0.00 C ATOM 401 CG GLU A 246 -6.937 4.361 -13.604 1.00 0.00 C ATOM 402 CD GLU A 246 -6.725 3.165 -14.513 1.00 0.00 C ATOM 403 OE1 GLU A 246 -7.292 2.092 -14.223 1.00 0.00 O ATOM 404 OE2 GLU A 246 -5.990 3.304 -15.513 1.00 0.00 O ATOM 0 H GLU A 246 -6.851 5.743 -10.671 1.00 0.00 H new ATOM 0 HA GLU A 246 -9.050 5.654 -12.601 1.00 0.00 H new ATOM 0 HB2 GLU A 246 -6.984 3.683 -11.577 1.00 0.00 H new ATOM 0 HB3 GLU A 246 -8.349 3.157 -12.541 1.00 0.00 H new ATOM 0 HG2 GLU A 246 -7.485 5.132 -14.146 1.00 0.00 H new ATOM 0 HG3 GLU A 246 -5.969 4.786 -13.337 1.00 0.00 H new ATOM 411 N HIS A 247 -9.528 5.098 -9.568 1.00 0.00 N ATOM 412 CA HIS A 247 -10.469 4.664 -8.542 1.00 0.00 C ATOM 413 C HIS A 247 -11.345 5.826 -8.082 1.00 0.00 C ATOM 414 O HIS A 247 -12.554 5.837 -8.319 1.00 0.00 O ATOM 415 CB HIS A 247 -9.719 4.073 -7.348 1.00 0.00 C ATOM 416 CG HIS A 247 -10.612 3.693 -6.207 1.00 0.00 C ATOM 417 ND1 HIS A 247 -10.931 4.358 -5.073 1.00 0.00 N flip ATOM 418 CD2 HIS A 247 -11.296 2.496 -6.153 1.00 0.00 C flip ATOM 419 CE1 HIS A 247 -11.794 3.560 -4.362 1.00 0.00 C flip ATOM 420 NE2 HIS A 247 -11.998 2.443 -5.036 1.00 0.00 N flip ATOM 0 H HIS A 247 -8.847 5.788 -9.251 1.00 0.00 H new ATOM 0 HA HIS A 247 -11.111 3.896 -8.975 1.00 0.00 H new ATOM 0 HB2 HIS A 247 -9.168 3.192 -7.676 1.00 0.00 H new ATOM 0 HB3 HIS A 247 -8.983 4.797 -6.997 1.00 0.00 H new ATOM 0 HD2 HIS A 247 -11.262 1.723 -6.907 1.00 0.00 H new ATOM 0 HE1 HIS A 247 -12.234 3.806 -3.407 1.00 0.00 H new ATOM 0 HE2 HIS A 247 -12.596 1.670 -4.743 1.00 0.00 H new ATOM 428 N CYS A 248 -10.729 6.801 -7.424 1.00 0.00 N ATOM 429 CA CYS A 248 -11.451 7.967 -6.930 1.00 0.00 C ATOM 430 C CYS A 248 -11.727 8.955 -8.060 1.00 0.00 C ATOM 431 O CYS A 248 -12.563 9.848 -7.928 1.00 0.00 O ATOM 432 CB CYS A 248 -10.654 8.655 -5.820 1.00 0.00 C ATOM 433 SG CYS A 248 -9.222 9.611 -6.416 1.00 0.00 S ATOM 0 H CYS A 248 -9.730 6.807 -7.220 1.00 0.00 H new ATOM 0 HA CYS A 248 -12.405 7.628 -6.526 1.00 0.00 H new ATOM 0 HB2 CYS A 248 -11.318 9.321 -5.270 1.00 0.00 H new ATOM 0 HB3 CYS A 248 -10.305 7.899 -5.116 1.00 0.00 H new ATOM 0 HG CYS A 248 -8.613 10.156 -5.405 1.00 0.00 H new ATOM 438 N GLY A 249 -11.019 8.786 -9.173 1.00 0.00 N ATOM 439 CA GLY A 249 -11.202 9.669 -10.310 1.00 0.00 C ATOM 440 C GLY A 249 -11.043 11.131 -9.940 1.00 0.00 C ATOM 441 O GLY A 249 -11.984 11.916 -10.059 1.00 0.00 O ATOM 0 H GLY A 249 -10.322 8.053 -9.307 1.00 0.00 H new ATOM 0 HA2 GLY A 249 -10.480 9.413 -11.085 1.00 0.00 H new ATOM 0 HA3 GLY A 249 -12.194 9.510 -10.734 1.00 0.00 H new ATOM 445 N THR A 250 -9.848 11.499 -9.488 1.00 0.00 N ATOM 446 CA THR A 250 -9.569 12.875 -9.097 1.00 0.00 C ATOM 447 C THR A 250 -8.183 13.308 -9.561 1.00 0.00 C ATOM 448 O THR A 250 -7.450 12.529 -10.172 1.00 0.00 O ATOM 449 CB THR A 250 -9.666 13.056 -7.570 1.00 0.00 C ATOM 450 OG1 THR A 250 -8.600 12.351 -6.925 1.00 0.00 O ATOM 451 CG2 THR A 250 -11.004 12.551 -7.050 1.00 0.00 C ATOM 0 H THR A 250 -9.058 10.863 -9.384 1.00 0.00 H new ATOM 0 HA THR A 250 -10.322 13.499 -9.578 1.00 0.00 H new ATOM 0 HB THR A 250 -9.585 14.120 -7.345 1.00 0.00 H new ATOM 0 HG1 THR A 250 -8.701 11.389 -7.084 1.00 0.00 H new ATOM 0 HG21 THR A 250 -11.050 12.689 -5.970 1.00 0.00 H new ATOM 0 HG22 THR A 250 -11.812 13.110 -7.522 1.00 0.00 H new ATOM 0 HG23 THR A 250 -11.110 11.492 -7.285 1.00 0.00 H new ATOM 459 N LEU A 251 -7.829 14.554 -9.267 1.00 0.00 N ATOM 460 CA LEU A 251 -6.529 15.092 -9.654 1.00 0.00 C ATOM 461 C LEU A 251 -5.520 14.945 -8.520 1.00 0.00 C ATOM 462 O LEU A 251 -5.650 15.580 -7.472 1.00 0.00 O ATOM 463 CB LEU A 251 -6.661 16.564 -10.048 1.00 0.00 C ATOM 464 CG LEU A 251 -5.428 17.436 -9.807 1.00 0.00 C ATOM 465 CD1 LEU A 251 -4.162 16.693 -10.207 1.00 0.00 C ATOM 466 CD2 LEU A 251 -5.544 18.746 -10.572 1.00 0.00 C ATOM 0 H LEU A 251 -8.424 15.211 -8.762 1.00 0.00 H new ATOM 0 HA LEU A 251 -6.169 14.524 -10.512 1.00 0.00 H new ATOM 0 HB2 LEU A 251 -6.916 16.615 -11.107 1.00 0.00 H new ATOM 0 HB3 LEU A 251 -7.498 16.993 -9.498 1.00 0.00 H new ATOM 0 HG LEU A 251 -5.370 17.664 -8.743 1.00 0.00 H new ATOM 0 HD11 LEU A 251 -3.295 17.329 -10.029 1.00 0.00 H new ATOM 0 HD12 LEU A 251 -4.072 15.782 -9.615 1.00 0.00 H new ATOM 0 HD13 LEU A 251 -4.211 16.434 -11.265 1.00 0.00 H new ATOM 0 HD21 LEU A 251 -4.658 19.354 -10.389 1.00 0.00 H new ATOM 0 HD22 LEU A 251 -5.627 18.538 -11.639 1.00 0.00 H new ATOM 0 HD23 LEU A 251 -6.430 19.286 -10.237 1.00 0.00 H new ATOM 478 N LEU A 252 -4.512 14.107 -8.737 1.00 0.00 N ATOM 479 CA LEU A 252 -3.478 13.878 -7.733 1.00 0.00 C ATOM 480 C LEU A 252 -2.339 14.880 -7.888 1.00 0.00 C ATOM 481 O LEU A 252 -1.597 14.845 -8.870 1.00 0.00 O ATOM 482 CB LEU A 252 -2.937 12.452 -7.846 1.00 0.00 C ATOM 483 CG LEU A 252 -3.925 11.396 -8.342 1.00 0.00 C ATOM 484 CD1 LEU A 252 -3.926 11.339 -9.862 1.00 0.00 C ATOM 485 CD2 LEU A 252 -3.589 10.033 -7.756 1.00 0.00 C ATOM 0 H LEU A 252 -4.389 13.575 -9.599 1.00 0.00 H new ATOM 0 HA LEU A 252 -3.925 14.013 -6.748 1.00 0.00 H new ATOM 0 HB2 LEU A 252 -2.079 12.463 -8.519 1.00 0.00 H new ATOM 0 HB3 LEU A 252 -2.570 12.145 -6.866 1.00 0.00 H new ATOM 0 HG LEU A 252 -4.924 11.676 -8.008 1.00 0.00 H new ATOM 0 HD11 LEU A 252 -4.635 10.582 -10.197 1.00 0.00 H new ATOM 0 HD12 LEU A 252 -4.216 12.310 -10.262 1.00 0.00 H new ATOM 0 HD13 LEU A 252 -2.928 11.084 -10.217 1.00 0.00 H new ATOM 0 HD21 LEU A 252 -4.303 9.294 -8.120 1.00 0.00 H new ATOM 0 HD22 LEU A 252 -2.582 9.745 -8.059 1.00 0.00 H new ATOM 0 HD23 LEU A 252 -3.641 10.082 -6.668 1.00 0.00 H new ATOM 497 N TRP A 253 -2.204 15.771 -6.911 1.00 0.00 N ATOM 498 CA TRP A 253 -1.153 16.781 -6.938 1.00 0.00 C ATOM 499 C TRP A 253 0.186 16.164 -7.326 1.00 0.00 C ATOM 500 O TRP A 253 0.510 15.052 -6.911 1.00 0.00 O ATOM 501 CB TRP A 253 -1.039 17.464 -5.574 1.00 0.00 C ATOM 502 CG TRP A 253 -2.099 18.496 -5.335 1.00 0.00 C ATOM 503 CD1 TRP A 253 -3.179 18.384 -4.507 1.00 0.00 C ATOM 504 CD2 TRP A 253 -2.181 19.794 -5.933 1.00 0.00 C ATOM 505 NE1 TRP A 253 -3.928 19.535 -4.554 1.00 0.00 N ATOM 506 CE2 TRP A 253 -3.337 20.416 -5.420 1.00 0.00 C ATOM 507 CE3 TRP A 253 -1.390 20.493 -6.849 1.00 0.00 C ATOM 508 CZ2 TRP A 253 -3.718 21.702 -5.795 1.00 0.00 C ATOM 509 CZ3 TRP A 253 -1.771 21.768 -7.220 1.00 0.00 C ATOM 510 CH2 TRP A 253 -2.925 22.362 -6.694 1.00 0.00 C ATOM 0 H TRP A 253 -2.809 15.814 -6.091 1.00 0.00 H new ATOM 0 HA TRP A 253 -1.418 17.526 -7.688 1.00 0.00 H new ATOM 0 HB2 TRP A 253 -1.096 16.708 -4.791 1.00 0.00 H new ATOM 0 HB3 TRP A 253 -0.059 17.934 -5.492 1.00 0.00 H new ATOM 0 HD1 TRP A 253 -3.410 17.518 -3.904 1.00 0.00 H new ATOM 0 HE1 TRP A 253 -4.786 19.706 -4.029 1.00 0.00 H new ATOM 0 HE3 TRP A 253 -0.497 20.045 -7.259 1.00 0.00 H new ATOM 0 HZ2 TRP A 253 -4.608 22.162 -5.391 1.00 0.00 H new ATOM 0 HZ3 TRP A 253 -1.168 22.317 -7.928 1.00 0.00 H new ATOM 0 HH2 TRP A 253 -3.194 23.361 -7.004 1.00 0.00 H new ATOM 521 N GLY A 254 0.961 16.893 -8.123 1.00 0.00 N ATOM 522 CA GLY A 254 2.256 16.400 -8.553 1.00 0.00 C ATOM 523 C GLY A 254 3.404 17.185 -7.950 1.00 0.00 C ATOM 524 O GLY A 254 4.329 17.588 -8.657 1.00 0.00 O ATOM 0 H GLY A 254 0.715 17.817 -8.479 1.00 0.00 H new ATOM 0 HA2 GLY A 254 2.352 15.350 -8.276 1.00 0.00 H new ATOM 0 HA3 GLY A 254 2.318 16.449 -9.640 1.00 0.00 H new ATOM 528 N LEU A 255 3.346 17.405 -6.641 1.00 0.00 N ATOM 529 CA LEU A 255 4.389 18.149 -5.944 1.00 0.00 C ATOM 530 C LEU A 255 5.592 17.258 -5.652 1.00 0.00 C ATOM 531 O LEU A 255 6.683 17.481 -6.175 1.00 0.00 O ATOM 532 CB LEU A 255 3.842 18.730 -4.638 1.00 0.00 C ATOM 533 CG LEU A 255 4.665 19.853 -4.007 1.00 0.00 C ATOM 534 CD1 LEU A 255 4.579 21.117 -4.849 1.00 0.00 C ATOM 535 CD2 LEU A 255 4.194 20.125 -2.585 1.00 0.00 C ATOM 0 H LEU A 255 2.588 17.079 -6.041 1.00 0.00 H new ATOM 0 HA LEU A 255 4.713 18.964 -6.591 1.00 0.00 H new ATOM 0 HB2 LEU A 255 2.835 19.105 -4.824 1.00 0.00 H new ATOM 0 HB3 LEU A 255 3.752 17.921 -3.913 1.00 0.00 H new ATOM 0 HG LEU A 255 5.707 19.536 -3.970 1.00 0.00 H new ATOM 0 HD11 LEU A 255 5.171 21.905 -4.384 1.00 0.00 H new ATOM 0 HD12 LEU A 255 4.965 20.915 -5.848 1.00 0.00 H new ATOM 0 HD13 LEU A 255 3.540 21.438 -4.919 1.00 0.00 H new ATOM 0 HD21 LEU A 255 4.791 20.927 -2.151 1.00 0.00 H new ATOM 0 HD22 LEU A 255 3.145 20.420 -2.599 1.00 0.00 H new ATOM 0 HD23 LEU A 255 4.309 19.222 -1.985 1.00 0.00 H new ATOM 547 N ALA A 256 5.384 16.246 -4.816 1.00 0.00 N ATOM 548 CA ALA A 256 6.450 15.319 -4.459 1.00 0.00 C ATOM 549 C ALA A 256 5.911 14.156 -3.632 1.00 0.00 C ATOM 550 O ALA A 256 5.004 14.328 -2.818 1.00 0.00 O ATOM 551 CB ALA A 256 7.548 16.045 -3.698 1.00 0.00 C ATOM 0 H ALA A 256 4.487 16.048 -4.373 1.00 0.00 H new ATOM 0 HA ALA A 256 6.869 14.913 -5.380 1.00 0.00 H new ATOM 0 HB1 ALA A 256 8.338 15.340 -3.438 1.00 0.00 H new ATOM 0 HB2 ALA A 256 7.960 16.838 -4.322 1.00 0.00 H new ATOM 0 HB3 ALA A 256 7.134 16.478 -2.788 1.00 0.00 H new ATOM 557 N ARG A 257 6.475 12.972 -3.847 1.00 0.00 N ATOM 558 CA ARG A 257 6.050 11.780 -3.123 1.00 0.00 C ATOM 559 C ARG A 257 4.528 11.693 -3.065 1.00 0.00 C ATOM 560 O ARG A 257 3.948 11.503 -1.997 1.00 0.00 O ATOM 561 CB ARG A 257 6.625 11.786 -1.706 1.00 0.00 C ATOM 562 CG ARG A 257 8.137 11.938 -1.663 1.00 0.00 C ATOM 563 CD ARG A 257 8.838 10.640 -2.031 1.00 0.00 C ATOM 564 NE ARG A 257 10.160 10.540 -1.419 1.00 0.00 N ATOM 565 CZ ARG A 257 10.365 10.121 -0.175 1.00 0.00 C ATOM 566 NH1 ARG A 257 9.339 9.766 0.585 1.00 0.00 N ATOM 567 NH2 ARG A 257 11.598 10.057 0.310 1.00 0.00 N ATOM 0 H ARG A 257 7.228 12.813 -4.517 1.00 0.00 H new ATOM 0 HA ARG A 257 6.427 10.908 -3.657 1.00 0.00 H new ATOM 0 HB2 ARG A 257 6.170 12.600 -1.142 1.00 0.00 H new ATOM 0 HB3 ARG A 257 6.347 10.858 -1.206 1.00 0.00 H new ATOM 0 HG2 ARG A 257 8.444 12.726 -2.350 1.00 0.00 H new ATOM 0 HG3 ARG A 257 8.444 12.248 -0.664 1.00 0.00 H new ATOM 0 HD2 ARG A 257 8.227 9.795 -1.714 1.00 0.00 H new ATOM 0 HD3 ARG A 257 8.934 10.575 -3.115 1.00 0.00 H new ATOM 0 HE ARG A 257 10.971 10.807 -1.977 1.00 0.00 H new ATOM 0 HH11 ARG A 257 8.390 9.814 0.215 1.00 0.00 H new ATOM 0 HH12 ARG A 257 9.499 9.445 1.540 1.00 0.00 H new ATOM 0 HH21 ARG A 257 12.390 10.330 -0.272 1.00 0.00 H new ATOM 0 HH22 ARG A 257 11.754 9.735 1.265 1.00 0.00 H new ATOM 581 N GLN A 258 3.888 11.835 -4.222 1.00 0.00 N ATOM 582 CA GLN A 258 2.433 11.773 -4.302 1.00 0.00 C ATOM 583 C GLN A 258 1.984 10.587 -5.148 1.00 0.00 C ATOM 584 O GLN A 258 2.657 10.203 -6.104 1.00 0.00 O ATOM 585 CB GLN A 258 1.878 13.073 -4.888 1.00 0.00 C ATOM 586 CG GLN A 258 1.617 14.148 -3.846 1.00 0.00 C ATOM 587 CD GLN A 258 0.355 13.890 -3.046 1.00 0.00 C ATOM 588 OE1 GLN A 258 -0.420 12.986 -3.360 1.00 0.00 O ATOM 589 NE2 GLN A 258 0.142 14.685 -2.003 1.00 0.00 N ATOM 0 H GLN A 258 4.354 11.994 -5.116 1.00 0.00 H new ATOM 0 HA GLN A 258 2.044 11.643 -3.292 1.00 0.00 H new ATOM 0 HB2 GLN A 258 2.581 13.458 -5.627 1.00 0.00 H new ATOM 0 HB3 GLN A 258 0.949 12.856 -5.415 1.00 0.00 H new ATOM 0 HG2 GLN A 258 2.468 14.205 -3.167 1.00 0.00 H new ATOM 0 HG3 GLN A 258 1.538 15.116 -4.340 1.00 0.00 H new ATOM 0 HE21 GLN A 258 0.811 15.422 -1.779 1.00 0.00 H new ATOM 0 HE22 GLN A 258 -0.690 14.558 -1.427 1.00 0.00 H new ATOM 598 N GLY A 259 0.841 10.010 -4.790 1.00 0.00 N ATOM 599 CA GLY A 259 0.321 8.872 -5.527 1.00 0.00 C ATOM 600 C GLY A 259 1.377 7.814 -5.778 1.00 0.00 C ATOM 601 O GLY A 259 2.476 7.879 -5.227 1.00 0.00 O ATOM 0 H GLY A 259 0.266 10.310 -4.003 1.00 0.00 H new ATOM 0 HA2 GLY A 259 -0.507 8.431 -4.972 1.00 0.00 H new ATOM 0 HA3 GLY A 259 -0.081 9.213 -6.481 1.00 0.00 H new ATOM 605 N LEU A 260 1.043 6.834 -6.611 1.00 0.00 N ATOM 606 CA LEU A 260 1.970 5.755 -6.933 1.00 0.00 C ATOM 607 C LEU A 260 1.779 5.284 -8.372 1.00 0.00 C ATOM 608 O LEU A 260 0.740 5.532 -8.985 1.00 0.00 O ATOM 609 CB LEU A 260 1.773 4.582 -5.971 1.00 0.00 C ATOM 610 CG LEU A 260 1.608 4.947 -4.495 1.00 0.00 C ATOM 611 CD1 LEU A 260 0.757 3.908 -3.781 1.00 0.00 C ATOM 612 CD2 LEU A 260 2.967 5.079 -3.822 1.00 0.00 C ATOM 0 H LEU A 260 0.137 6.765 -7.075 1.00 0.00 H new ATOM 0 HA LEU A 260 2.985 6.138 -6.827 1.00 0.00 H new ATOM 0 HB2 LEU A 260 0.893 4.022 -6.287 1.00 0.00 H new ATOM 0 HB3 LEU A 260 2.628 3.912 -6.066 1.00 0.00 H new ATOM 0 HG LEU A 260 1.100 5.909 -4.433 1.00 0.00 H new ATOM 0 HD11 LEU A 260 0.650 4.184 -2.732 1.00 0.00 H new ATOM 0 HD12 LEU A 260 -0.228 3.862 -4.246 1.00 0.00 H new ATOM 0 HD13 LEU A 260 1.238 2.932 -3.852 1.00 0.00 H new ATOM 0 HD21 LEU A 260 2.830 5.339 -2.772 1.00 0.00 H new ATOM 0 HD22 LEU A 260 3.502 4.132 -3.894 1.00 0.00 H new ATOM 0 HD23 LEU A 260 3.544 5.860 -4.317 1.00 0.00 H new ATOM 624 N LYS A 261 2.786 4.601 -8.904 1.00 0.00 N ATOM 625 CA LYS A 261 2.729 4.091 -10.269 1.00 0.00 C ATOM 626 C LYS A 261 3.033 2.597 -10.305 1.00 0.00 C ATOM 627 O LYS A 261 3.931 2.118 -9.611 1.00 0.00 O ATOM 628 CB LYS A 261 3.720 4.845 -11.159 1.00 0.00 C ATOM 629 CG LYS A 261 4.262 4.012 -12.307 1.00 0.00 C ATOM 630 CD LYS A 261 4.951 4.878 -13.348 1.00 0.00 C ATOM 631 CE LYS A 261 6.183 5.563 -12.777 1.00 0.00 C ATOM 632 NZ LYS A 261 7.259 4.587 -12.451 1.00 0.00 N ATOM 0 H LYS A 261 3.653 4.387 -8.410 1.00 0.00 H new ATOM 0 HA LYS A 261 1.719 4.248 -10.646 1.00 0.00 H new ATOM 0 HB2 LYS A 261 3.231 5.731 -11.563 1.00 0.00 H new ATOM 0 HB3 LYS A 261 4.553 5.192 -10.548 1.00 0.00 H new ATOM 0 HG2 LYS A 261 4.966 3.275 -11.922 1.00 0.00 H new ATOM 0 HG3 LYS A 261 3.446 3.460 -12.774 1.00 0.00 H new ATOM 0 HD2 LYS A 261 5.238 4.264 -14.202 1.00 0.00 H new ATOM 0 HD3 LYS A 261 4.253 5.630 -13.717 1.00 0.00 H new ATOM 0 HE2 LYS A 261 6.559 6.292 -13.495 1.00 0.00 H new ATOM 0 HE3 LYS A 261 5.908 6.114 -11.878 1.00 0.00 H new ATOM 0 HZ1 LYS A 261 8.136 5.099 -12.226 1.00 0.00 H new ATOM 0 HZ2 LYS A 261 6.972 4.015 -11.631 1.00 0.00 H new ATOM 0 HZ3 LYS A 261 7.422 3.964 -13.268 1.00 0.00 H new ATOM 646 N CYS A 262 2.280 1.864 -11.118 1.00 0.00 N ATOM 647 CA CYS A 262 2.469 0.424 -11.246 1.00 0.00 C ATOM 648 C CYS A 262 3.530 0.105 -12.295 1.00 0.00 C ATOM 649 O CYS A 262 3.413 0.506 -13.453 1.00 0.00 O ATOM 650 CB CYS A 262 1.149 -0.254 -11.619 1.00 0.00 C ATOM 651 SG CYS A 262 1.098 -2.037 -11.249 1.00 0.00 S ATOM 0 H CYS A 262 1.532 2.244 -11.699 1.00 0.00 H new ATOM 0 HA CYS A 262 2.808 0.041 -10.283 1.00 0.00 H new ATOM 0 HB2 CYS A 262 0.336 0.240 -11.087 1.00 0.00 H new ATOM 0 HB3 CYS A 262 0.967 -0.109 -12.684 1.00 0.00 H new ATOM 0 HG CYS A 262 2.311 -2.500 -11.175 1.00 0.00 H new ATOM 656 N ASP A 263 4.565 -0.618 -11.881 1.00 0.00 N ATOM 657 CA ASP A 263 5.647 -0.992 -12.784 1.00 0.00 C ATOM 658 C ASP A 263 5.304 -2.270 -13.543 1.00 0.00 C ATOM 659 O ASP A 263 6.148 -2.839 -14.234 1.00 0.00 O ATOM 660 CB ASP A 263 6.949 -1.181 -12.004 1.00 0.00 C ATOM 661 CG ASP A 263 8.174 -0.860 -12.836 1.00 0.00 C ATOM 662 OD1 ASP A 263 8.207 0.227 -13.450 1.00 0.00 O ATOM 663 OD2 ASP A 263 9.101 -1.697 -12.875 1.00 0.00 O ATOM 0 H ASP A 263 4.677 -0.957 -10.925 1.00 0.00 H new ATOM 0 HA ASP A 263 5.779 -0.186 -13.506 1.00 0.00 H new ATOM 0 HB2 ASP A 263 6.936 -0.542 -11.121 1.00 0.00 H new ATOM 0 HB3 ASP A 263 7.012 -2.211 -11.652 1.00 0.00 H new ATOM 668 N ALA A 264 4.059 -2.716 -13.409 1.00 0.00 N ATOM 669 CA ALA A 264 3.604 -3.925 -14.083 1.00 0.00 C ATOM 670 C ALA A 264 2.683 -3.590 -15.250 1.00 0.00 C ATOM 671 O ALA A 264 3.031 -3.806 -16.412 1.00 0.00 O ATOM 672 CB ALA A 264 2.897 -4.844 -13.097 1.00 0.00 C ATOM 0 H ALA A 264 3.348 -2.258 -12.839 1.00 0.00 H new ATOM 0 HA ALA A 264 4.478 -4.440 -14.481 1.00 0.00 H new ATOM 0 HB1 ALA A 264 2.562 -5.743 -13.614 1.00 0.00 H new ATOM 0 HB2 ALA A 264 3.586 -5.119 -12.298 1.00 0.00 H new ATOM 0 HB3 ALA A 264 2.036 -4.328 -12.672 1.00 0.00 H new ATOM 678 N CYS A 265 1.505 -3.062 -14.936 1.00 0.00 N ATOM 679 CA CYS A 265 0.532 -2.697 -15.958 1.00 0.00 C ATOM 680 C CYS A 265 0.756 -1.266 -16.438 1.00 0.00 C ATOM 681 O CYS A 265 0.731 -0.990 -17.636 1.00 0.00 O ATOM 682 CB CYS A 265 -0.891 -2.848 -15.415 1.00 0.00 C ATOM 683 SG CYS A 265 -1.277 -1.738 -14.024 1.00 0.00 S ATOM 0 H CYS A 265 1.201 -2.877 -13.980 1.00 0.00 H new ATOM 0 HA CYS A 265 0.664 -3.370 -16.805 1.00 0.00 H new ATOM 0 HB2 CYS A 265 -1.598 -2.661 -16.223 1.00 0.00 H new ATOM 0 HB3 CYS A 265 -1.039 -3.879 -15.095 1.00 0.00 H new ATOM 0 HG CYS A 265 -0.409 -1.916 -13.073 1.00 0.00 H new ATOM 688 N GLY A 266 0.976 -0.359 -15.491 1.00 0.00 N ATOM 689 CA GLY A 266 1.202 1.033 -15.836 1.00 0.00 C ATOM 690 C GLY A 266 0.107 1.944 -15.318 1.00 0.00 C ATOM 691 O GLY A 266 -0.101 3.036 -15.845 1.00 0.00 O ATOM 0 H GLY A 266 1.002 -0.563 -14.492 1.00 0.00 H new ATOM 0 HA2 GLY A 266 2.161 1.354 -15.428 1.00 0.00 H new ATOM 0 HA3 GLY A 266 1.268 1.129 -16.920 1.00 0.00 H new ATOM 695 N MET A 267 -0.597 1.493 -14.285 1.00 0.00 N ATOM 696 CA MET A 267 -1.678 2.275 -13.697 1.00 0.00 C ATOM 697 C MET A 267 -1.142 3.228 -12.632 1.00 0.00 C ATOM 698 O MET A 267 -0.079 2.997 -12.058 1.00 0.00 O ATOM 699 CB MET A 267 -2.732 1.350 -13.086 1.00 0.00 C ATOM 700 CG MET A 267 -4.061 2.038 -12.817 1.00 0.00 C ATOM 701 SD MET A 267 -5.306 0.910 -12.163 1.00 0.00 S ATOM 702 CE MET A 267 -4.278 -0.237 -11.248 1.00 0.00 C ATOM 0 H MET A 267 -0.438 0.590 -13.838 1.00 0.00 H new ATOM 0 HA MET A 267 -2.139 2.865 -14.489 1.00 0.00 H new ATOM 0 HB2 MET A 267 -2.898 0.508 -13.758 1.00 0.00 H new ATOM 0 HB3 MET A 267 -2.348 0.942 -12.151 1.00 0.00 H new ATOM 0 HG2 MET A 267 -3.907 2.853 -12.110 1.00 0.00 H new ATOM 0 HG3 MET A 267 -4.429 2.483 -13.741 1.00 0.00 H new ATOM 0 HE1 MET A 267 -4.909 -0.966 -10.740 1.00 0.00 H new ATOM 0 HE2 MET A 267 -3.608 -0.753 -11.936 1.00 0.00 H new ATOM 0 HE3 MET A 267 -3.690 0.310 -10.511 1.00 0.00 H new ATOM 712 N ASN A 268 -1.886 4.299 -12.375 1.00 0.00 N ATOM 713 CA ASN A 268 -1.485 5.287 -11.380 1.00 0.00 C ATOM 714 C ASN A 268 -2.632 5.589 -10.420 1.00 0.00 C ATOM 715 O ASN A 268 -3.669 6.118 -10.821 1.00 0.00 O ATOM 716 CB ASN A 268 -1.027 6.576 -12.067 1.00 0.00 C ATOM 717 CG ASN A 268 0.022 6.322 -13.132 1.00 0.00 C ATOM 718 OD1 ASN A 268 0.670 5.275 -13.144 1.00 0.00 O ATOM 719 ND2 ASN A 268 0.193 7.282 -14.034 1.00 0.00 N ATOM 0 H ASN A 268 -2.769 4.505 -12.842 1.00 0.00 H new ATOM 0 HA ASN A 268 -0.655 4.873 -10.807 1.00 0.00 H new ATOM 0 HB2 ASN A 268 -1.888 7.069 -12.519 1.00 0.00 H new ATOM 0 HB3 ASN A 268 -0.624 7.259 -11.320 1.00 0.00 H new ATOM 0 HD21 ASN A 268 0.884 7.168 -14.776 1.00 0.00 H new ATOM 0 HD22 ASN A 268 -0.367 8.133 -13.985 1.00 0.00 H new ATOM 726 N VAL A 269 -2.438 5.250 -9.150 1.00 0.00 N ATOM 727 CA VAL A 269 -3.454 5.485 -8.132 1.00 0.00 C ATOM 728 C VAL A 269 -2.856 6.164 -6.905 1.00 0.00 C ATOM 729 O VAL A 269 -1.636 6.216 -6.743 1.00 0.00 O ATOM 730 CB VAL A 269 -4.131 4.171 -7.699 1.00 0.00 C ATOM 731 CG1 VAL A 269 -4.595 3.384 -8.915 1.00 0.00 C ATOM 732 CG2 VAL A 269 -3.184 3.341 -6.846 1.00 0.00 C ATOM 0 H VAL A 269 -1.586 4.811 -8.801 1.00 0.00 H new ATOM 0 HA VAL A 269 -4.202 6.140 -8.578 1.00 0.00 H new ATOM 0 HB VAL A 269 -5.007 4.414 -7.098 1.00 0.00 H new ATOM 0 HG11 VAL A 269 -5.071 2.459 -8.590 1.00 0.00 H new ATOM 0 HG12 VAL A 269 -5.310 3.980 -9.483 1.00 0.00 H new ATOM 0 HG13 VAL A 269 -3.737 3.149 -9.545 1.00 0.00 H new ATOM 0 HG21 VAL A 269 -3.678 2.416 -6.549 1.00 0.00 H new ATOM 0 HG22 VAL A 269 -2.288 3.105 -7.421 1.00 0.00 H new ATOM 0 HG23 VAL A 269 -2.906 3.906 -5.956 1.00 0.00 H new ATOM 742 N HIS A 270 -3.723 6.683 -6.041 1.00 0.00 N ATOM 743 CA HIS A 270 -3.280 7.359 -4.826 1.00 0.00 C ATOM 744 C HIS A 270 -2.691 6.361 -3.833 1.00 0.00 C ATOM 745 O HIS A 270 -2.575 5.171 -4.128 1.00 0.00 O ATOM 746 CB HIS A 270 -4.445 8.110 -4.181 1.00 0.00 C ATOM 747 CG HIS A 270 -4.694 9.459 -4.783 1.00 0.00 C ATOM 748 ND1 HIS A 270 -5.830 9.764 -5.502 1.00 0.00 N ATOM 749 CD2 HIS A 270 -3.946 10.587 -4.767 1.00 0.00 C ATOM 750 CE1 HIS A 270 -5.769 11.021 -5.904 1.00 0.00 C ATOM 751 NE2 HIS A 270 -4.636 11.543 -5.471 1.00 0.00 N ATOM 0 H HIS A 270 -4.736 6.649 -6.159 1.00 0.00 H new ATOM 0 HA HIS A 270 -2.504 8.074 -5.100 1.00 0.00 H new ATOM 0 HB2 HIS A 270 -5.349 7.508 -4.272 1.00 0.00 H new ATOM 0 HB3 HIS A 270 -4.246 8.228 -3.116 1.00 0.00 H new ATOM 0 HD1 HIS A 270 -6.597 9.120 -5.694 1.00 0.00 H new ATOM 0 HD2 HIS A 270 -2.985 10.712 -4.289 1.00 0.00 H new ATOM 0 HE1 HIS A 270 -6.519 11.535 -6.488 1.00 0.00 H new ATOM 759 N HIS A 271 -2.320 6.853 -2.656 1.00 0.00 N ATOM 760 CA HIS A 271 -1.743 6.004 -1.619 1.00 0.00 C ATOM 761 C HIS A 271 -2.817 5.142 -0.963 1.00 0.00 C ATOM 762 O HIS A 271 -2.577 3.982 -0.628 1.00 0.00 O ATOM 763 CB HIS A 271 -1.042 6.858 -0.563 1.00 0.00 C ATOM 764 CG HIS A 271 0.020 7.753 -1.124 1.00 0.00 C ATOM 765 ND1 HIS A 271 1.313 7.334 -1.353 1.00 0.00 N ATOM 766 CD2 HIS A 271 -0.026 9.051 -1.504 1.00 0.00 C ATOM 767 CE1 HIS A 271 2.018 8.336 -1.849 1.00 0.00 C ATOM 768 NE2 HIS A 271 1.228 9.390 -1.950 1.00 0.00 N ATOM 0 H HIS A 271 -2.408 7.835 -2.396 1.00 0.00 H new ATOM 0 HA HIS A 271 -1.011 5.346 -2.088 1.00 0.00 H new ATOM 0 HB2 HIS A 271 -1.785 7.468 -0.049 1.00 0.00 H new ATOM 0 HB3 HIS A 271 -0.595 6.202 0.185 1.00 0.00 H new ATOM 0 HD1 HIS A 271 1.670 6.397 -1.168 1.00 0.00 H new ATOM 0 HD2 HIS A 271 -0.889 9.700 -1.464 1.00 0.00 H new ATOM 0 HE1 HIS A 271 3.062 8.299 -2.125 1.00 0.00 H new ATOM 776 N ARG A 272 -4.002 5.717 -0.782 1.00 0.00 N ATOM 777 CA ARG A 272 -5.112 5.001 -0.164 1.00 0.00 C ATOM 778 C ARG A 272 -5.979 4.325 -1.222 1.00 0.00 C ATOM 779 O ARG A 272 -6.476 3.217 -1.016 1.00 0.00 O ATOM 780 CB ARG A 272 -5.962 5.960 0.671 1.00 0.00 C ATOM 781 CG ARG A 272 -5.278 6.430 1.944 1.00 0.00 C ATOM 782 CD ARG A 272 -4.449 7.681 1.702 1.00 0.00 C ATOM 783 NE ARG A 272 -5.253 8.897 1.795 1.00 0.00 N ATOM 784 CZ ARG A 272 -5.796 9.334 2.926 1.00 0.00 C ATOM 785 NH1 ARG A 272 -5.622 8.659 4.053 1.00 0.00 N ATOM 786 NH2 ARG A 272 -6.515 10.450 2.930 1.00 0.00 N ATOM 0 H ARG A 272 -4.218 6.676 -1.054 1.00 0.00 H new ATOM 0 HA ARG A 272 -4.698 4.231 0.487 1.00 0.00 H new ATOM 0 HB2 ARG A 272 -6.217 6.829 0.064 1.00 0.00 H new ATOM 0 HB3 ARG A 272 -6.899 5.468 0.933 1.00 0.00 H new ATOM 0 HG2 ARG A 272 -6.029 6.632 2.708 1.00 0.00 H new ATOM 0 HG3 ARG A 272 -4.637 5.636 2.328 1.00 0.00 H new ATOM 0 HD2 ARG A 272 -3.639 7.725 2.430 1.00 0.00 H new ATOM 0 HD3 ARG A 272 -3.988 7.625 0.716 1.00 0.00 H new ATOM 0 HE ARG A 272 -5.406 9.440 0.945 1.00 0.00 H new ATOM 0 HH11 ARG A 272 -5.070 7.801 4.054 1.00 0.00 H new ATOM 0 HH12 ARG A 272 -6.040 8.997 4.920 1.00 0.00 H new ATOM 0 HH21 ARG A 272 -6.651 10.972 2.064 1.00 0.00 H new ATOM 0 HH22 ARG A 272 -6.932 10.785 3.799 1.00 0.00 H new ATOM 800 N CYS A 273 -6.156 4.998 -2.353 1.00 0.00 N ATOM 801 CA CYS A 273 -6.963 4.464 -3.443 1.00 0.00 C ATOM 802 C CYS A 273 -6.391 3.142 -3.947 1.00 0.00 C ATOM 803 O CYS A 273 -7.112 2.315 -4.504 1.00 0.00 O ATOM 804 CB CYS A 273 -7.037 5.471 -4.592 1.00 0.00 C ATOM 805 SG CYS A 273 -7.905 7.017 -4.172 1.00 0.00 S ATOM 0 H CYS A 273 -5.751 5.915 -2.539 1.00 0.00 H new ATOM 0 HA CYS A 273 -7.968 4.283 -3.062 1.00 0.00 H new ATOM 0 HB2 CYS A 273 -6.024 5.712 -4.915 1.00 0.00 H new ATOM 0 HB3 CYS A 273 -7.539 5.003 -5.439 1.00 0.00 H new ATOM 0 HG CYS A 273 -8.165 7.678 -5.261 1.00 0.00 H new ATOM 810 N GLN A 274 -5.091 2.952 -3.746 1.00 0.00 N ATOM 811 CA GLN A 274 -4.421 1.732 -4.181 1.00 0.00 C ATOM 812 C GLN A 274 -5.020 0.509 -3.493 1.00 0.00 C ATOM 813 O GLN A 274 -5.253 -0.521 -4.126 1.00 0.00 O ATOM 814 CB GLN A 274 -2.923 1.814 -3.887 1.00 0.00 C ATOM 815 CG GLN A 274 -2.549 1.342 -2.491 1.00 0.00 C ATOM 816 CD GLN A 274 -1.060 1.429 -2.224 1.00 0.00 C ATOM 817 OE1 GLN A 274 -0.243 1.231 -3.125 1.00 0.00 O ATOM 818 NE2 GLN A 274 -0.697 1.726 -0.982 1.00 0.00 N ATOM 0 H GLN A 274 -4.481 3.627 -3.285 1.00 0.00 H new ATOM 0 HA GLN A 274 -4.567 1.631 -5.256 1.00 0.00 H new ATOM 0 HB2 GLN A 274 -2.384 1.214 -4.621 1.00 0.00 H new ATOM 0 HB3 GLN A 274 -2.593 2.845 -4.013 1.00 0.00 H new ATOM 0 HG2 GLN A 274 -3.082 1.943 -1.754 1.00 0.00 H new ATOM 0 HG3 GLN A 274 -2.878 0.311 -2.360 1.00 0.00 H new ATOM 0 HE21 GLN A 274 -1.407 1.882 -0.267 1.00 0.00 H new ATOM 0 HE22 GLN A 274 0.292 1.798 -0.743 1.00 0.00 H new ATOM 827 N THR A 275 -5.267 0.629 -2.192 1.00 0.00 N ATOM 828 CA THR A 275 -5.836 -0.467 -1.418 1.00 0.00 C ATOM 829 C THR A 275 -7.290 -0.715 -1.804 1.00 0.00 C ATOM 830 O THR A 275 -7.908 -1.678 -1.350 1.00 0.00 O ATOM 831 CB THR A 275 -5.760 -0.185 0.094 1.00 0.00 C ATOM 832 OG1 THR A 275 -6.802 0.718 0.478 1.00 0.00 O ATOM 833 CG2 THR A 275 -4.408 0.405 0.467 1.00 0.00 C ATOM 0 H THR A 275 -5.082 1.475 -1.652 1.00 0.00 H new ATOM 0 HA THR A 275 -5.246 -1.355 -1.645 1.00 0.00 H new ATOM 0 HB THR A 275 -5.886 -1.129 0.623 1.00 0.00 H new ATOM 0 HG1 THR A 275 -6.703 1.560 -0.014 1.00 0.00 H new ATOM 0 HG21 THR A 275 -4.378 0.596 1.540 1.00 0.00 H new ATOM 0 HG22 THR A 275 -3.618 -0.298 0.201 1.00 0.00 H new ATOM 0 HG23 THR A 275 -4.258 1.340 -0.072 1.00 0.00 H new ATOM 841 N LYS A 276 -7.831 0.159 -2.646 1.00 0.00 N ATOM 842 CA LYS A 276 -9.213 0.034 -3.096 1.00 0.00 C ATOM 843 C LYS A 276 -9.284 -0.678 -4.443 1.00 0.00 C ATOM 844 O LYS A 276 -10.356 -1.096 -4.880 1.00 0.00 O ATOM 845 CB LYS A 276 -9.863 1.415 -3.202 1.00 0.00 C ATOM 846 CG LYS A 276 -9.525 2.337 -2.044 1.00 0.00 C ATOM 847 CD LYS A 276 -10.459 2.118 -0.866 1.00 0.00 C ATOM 848 CE LYS A 276 -10.411 0.678 -0.377 1.00 0.00 C ATOM 849 NZ LYS A 276 -10.784 0.568 1.061 1.00 0.00 N ATOM 0 H LYS A 276 -7.333 0.962 -3.031 1.00 0.00 H new ATOM 0 HA LYS A 276 -9.756 -0.561 -2.361 1.00 0.00 H new ATOM 0 HB2 LYS A 276 -9.548 1.885 -4.134 1.00 0.00 H new ATOM 0 HB3 LYS A 276 -10.945 1.295 -3.256 1.00 0.00 H new ATOM 0 HG2 LYS A 276 -8.495 2.166 -1.730 1.00 0.00 H new ATOM 0 HG3 LYS A 276 -9.590 3.374 -2.373 1.00 0.00 H new ATOM 0 HD2 LYS A 276 -10.184 2.789 -0.052 1.00 0.00 H new ATOM 0 HD3 LYS A 276 -11.479 2.371 -1.157 1.00 0.00 H new ATOM 0 HE2 LYS A 276 -11.088 0.068 -0.975 1.00 0.00 H new ATOM 0 HE3 LYS A 276 -9.408 0.278 -0.524 1.00 0.00 H new ATOM 0 HZ1 LYS A 276 -10.739 -0.428 1.356 1.00 0.00 H new ATOM 0 HZ2 LYS A 276 -10.123 1.129 1.635 1.00 0.00 H new ATOM 0 HZ3 LYS A 276 -11.751 0.926 1.197 1.00 0.00 H new ATOM 863 N VAL A 277 -8.134 -0.815 -5.096 1.00 0.00 N ATOM 864 CA VAL A 277 -8.066 -1.479 -6.393 1.00 0.00 C ATOM 865 C VAL A 277 -7.972 -2.992 -6.230 1.00 0.00 C ATOM 866 O VAL A 277 -7.576 -3.490 -5.177 1.00 0.00 O ATOM 867 CB VAL A 277 -6.860 -0.986 -7.214 1.00 0.00 C ATOM 868 CG1 VAL A 277 -7.131 -1.136 -8.703 1.00 0.00 C ATOM 869 CG2 VAL A 277 -6.535 0.459 -6.866 1.00 0.00 C ATOM 0 H VAL A 277 -7.237 -0.475 -4.748 1.00 0.00 H new ATOM 0 HA VAL A 277 -8.984 -1.229 -6.925 1.00 0.00 H new ATOM 0 HB VAL A 277 -5.995 -1.600 -6.963 1.00 0.00 H new ATOM 0 HG11 VAL A 277 -6.268 -0.783 -9.267 1.00 0.00 H new ATOM 0 HG12 VAL A 277 -7.312 -2.185 -8.936 1.00 0.00 H new ATOM 0 HG13 VAL A 277 -8.008 -0.548 -8.974 1.00 0.00 H new ATOM 0 HG21 VAL A 277 -5.680 0.792 -7.455 1.00 0.00 H new ATOM 0 HG22 VAL A 277 -7.396 1.089 -7.088 1.00 0.00 H new ATOM 0 HG23 VAL A 277 -6.295 0.533 -5.805 1.00 0.00 H new ATOM 879 N ALA A 278 -8.337 -3.719 -7.282 1.00 0.00 N ATOM 880 CA ALA A 278 -8.291 -5.175 -7.257 1.00 0.00 C ATOM 881 C ALA A 278 -6.872 -5.684 -7.489 1.00 0.00 C ATOM 882 O ALA A 278 -6.128 -5.128 -8.296 1.00 0.00 O ATOM 883 CB ALA A 278 -9.238 -5.751 -8.300 1.00 0.00 C ATOM 0 H ALA A 278 -8.668 -3.322 -8.162 1.00 0.00 H new ATOM 0 HA ALA A 278 -8.611 -5.507 -6.269 1.00 0.00 H new ATOM 0 HB1 ALA A 278 -9.193 -6.840 -8.270 1.00 0.00 H new ATOM 0 HB2 ALA A 278 -10.256 -5.424 -8.088 1.00 0.00 H new ATOM 0 HB3 ALA A 278 -8.944 -5.403 -9.290 1.00 0.00 H new ATOM 889 N ASN A 279 -6.505 -6.744 -6.777 1.00 0.00 N ATOM 890 CA ASN A 279 -5.174 -7.326 -6.905 1.00 0.00 C ATOM 891 C ASN A 279 -5.087 -8.219 -8.139 1.00 0.00 C ATOM 892 O ASN A 279 -4.673 -9.376 -8.053 1.00 0.00 O ATOM 893 CB ASN A 279 -4.825 -8.133 -5.652 1.00 0.00 C ATOM 894 CG ASN A 279 -5.783 -9.285 -5.420 1.00 0.00 C ATOM 895 OD1 ASN A 279 -5.597 -10.378 -5.955 1.00 0.00 O ATOM 896 ND2 ASN A 279 -6.815 -9.044 -4.621 1.00 0.00 N ATOM 0 H ASN A 279 -7.110 -7.217 -6.106 1.00 0.00 H new ATOM 0 HA ASN A 279 -4.458 -6.512 -7.016 1.00 0.00 H new ATOM 0 HB2 ASN A 279 -3.810 -8.521 -5.744 1.00 0.00 H new ATOM 0 HB3 ASN A 279 -4.837 -7.474 -4.784 1.00 0.00 H new ATOM 0 HD21 ASN A 279 -7.494 -9.780 -4.429 1.00 0.00 H new ATOM 0 HD22 ASN A 279 -6.929 -8.122 -4.199 1.00 0.00 H new ATOM 903 N LEU A 280 -5.480 -7.675 -9.285 1.00 0.00 N ATOM 904 CA LEU A 280 -5.447 -8.421 -10.538 1.00 0.00 C ATOM 905 C LEU A 280 -4.700 -7.642 -11.616 1.00 0.00 C ATOM 906 O LEU A 280 -5.303 -7.148 -12.570 1.00 0.00 O ATOM 907 CB LEU A 280 -6.869 -8.731 -11.008 1.00 0.00 C ATOM 908 CG LEU A 280 -7.635 -9.771 -10.191 1.00 0.00 C ATOM 909 CD1 LEU A 280 -6.749 -10.970 -9.889 1.00 0.00 C ATOM 910 CD2 LEU A 280 -8.160 -9.156 -8.902 1.00 0.00 C ATOM 0 H LEU A 280 -5.826 -6.719 -9.373 1.00 0.00 H new ATOM 0 HA LEU A 280 -4.918 -9.358 -10.361 1.00 0.00 H new ATOM 0 HB2 LEU A 280 -7.441 -7.803 -11.005 1.00 0.00 H new ATOM 0 HB3 LEU A 280 -6.822 -9.074 -12.042 1.00 0.00 H new ATOM 0 HG LEU A 280 -8.486 -10.113 -10.780 1.00 0.00 H new ATOM 0 HD11 LEU A 280 -7.311 -11.700 -9.307 1.00 0.00 H new ATOM 0 HD12 LEU A 280 -6.422 -11.425 -10.824 1.00 0.00 H new ATOM 0 HD13 LEU A 280 -5.878 -10.645 -9.320 1.00 0.00 H new ATOM 0 HD21 LEU A 280 -8.703 -9.911 -8.333 1.00 0.00 H new ATOM 0 HD22 LEU A 280 -7.324 -8.786 -8.309 1.00 0.00 H new ATOM 0 HD23 LEU A 280 -8.830 -8.330 -9.140 1.00 0.00 H new ATOM 922 N CYS A 281 -3.385 -7.538 -11.460 1.00 0.00 N ATOM 923 CA CYS A 281 -2.555 -6.821 -12.420 1.00 0.00 C ATOM 924 C CYS A 281 -2.048 -7.762 -13.510 1.00 0.00 C ATOM 925 O CYS A 281 -1.955 -8.971 -13.307 1.00 0.00 O ATOM 926 CB CYS A 281 -1.371 -6.161 -11.710 1.00 0.00 C ATOM 927 SG CYS A 281 -0.281 -5.205 -12.813 1.00 0.00 S ATOM 0 H CYS A 281 -2.871 -7.942 -10.677 1.00 0.00 H new ATOM 0 HA CYS A 281 -3.167 -6.049 -12.886 1.00 0.00 H new ATOM 0 HB2 CYS A 281 -1.751 -5.500 -10.931 1.00 0.00 H new ATOM 0 HB3 CYS A 281 -0.782 -6.933 -11.215 1.00 0.00 H new ATOM 0 HG CYS A 281 0.121 -4.131 -12.201 1.00 0.00 H new ATOM 932 N GLY A 282 -1.721 -7.196 -14.668 1.00 0.00 N ATOM 933 CA GLY A 282 -1.227 -7.997 -15.772 1.00 0.00 C ATOM 934 C GLY A 282 -2.232 -9.038 -16.227 1.00 0.00 C ATOM 935 O GLY A 282 -1.873 -10.001 -16.905 1.00 0.00 O ATOM 0 H GLY A 282 -1.790 -6.197 -14.861 1.00 0.00 H new ATOM 0 HA2 GLY A 282 -0.980 -7.344 -16.609 1.00 0.00 H new ATOM 0 HA3 GLY A 282 -0.304 -8.494 -15.472 1.00 0.00 H new ATOM 939 N ILE A 283 -3.492 -8.844 -15.854 1.00 0.00 N ATOM 940 CA ILE A 283 -4.550 -9.774 -16.228 1.00 0.00 C ATOM 941 C ILE A 283 -5.371 -9.233 -17.393 1.00 0.00 C ATOM 942 O ILE A 283 -5.972 -9.995 -18.149 1.00 0.00 O ATOM 943 CB ILE A 283 -5.490 -10.063 -15.043 1.00 0.00 C ATOM 944 CG1 ILE A 283 -4.713 -10.703 -13.891 1.00 0.00 C ATOM 945 CG2 ILE A 283 -6.634 -10.965 -15.482 1.00 0.00 C ATOM 946 CD1 ILE A 283 -4.483 -12.188 -14.068 1.00 0.00 C ATOM 0 H ILE A 283 -3.805 -8.052 -15.293 1.00 0.00 H new ATOM 0 HA ILE A 283 -4.063 -10.701 -16.530 1.00 0.00 H new ATOM 0 HB ILE A 283 -5.910 -9.120 -14.694 1.00 0.00 H new ATOM 0 HG12 ILE A 283 -3.749 -10.204 -13.792 1.00 0.00 H new ATOM 0 HG13 ILE A 283 -5.256 -10.536 -12.961 1.00 0.00 H new ATOM 0 HG21 ILE A 283 -7.290 -11.160 -14.633 1.00 0.00 H new ATOM 0 HG22 ILE A 283 -7.201 -10.475 -16.273 1.00 0.00 H new ATOM 0 HG23 ILE A 283 -6.232 -11.907 -15.854 1.00 0.00 H new ATOM 0 HD11 ILE A 283 -3.926 -12.574 -13.214 1.00 0.00 H new ATOM 0 HD12 ILE A 283 -5.443 -12.699 -14.137 1.00 0.00 H new ATOM 0 HD13 ILE A 283 -3.913 -12.362 -14.981 1.00 0.00 H new ATOM 958 N ASN A 284 -5.390 -7.911 -17.533 1.00 0.00 N ATOM 959 CA ASN A 284 -6.137 -7.267 -18.608 1.00 0.00 C ATOM 960 C ASN A 284 -5.192 -6.580 -19.590 1.00 0.00 C ATOM 961 O ASN A 284 -4.833 -5.417 -19.411 1.00 0.00 O ATOM 962 CB ASN A 284 -7.122 -6.248 -18.033 1.00 0.00 C ATOM 963 CG ASN A 284 -8.330 -6.043 -18.927 1.00 0.00 C ATOM 964 OD1 ASN A 284 -8.128 -6.174 -20.233 1.00 0.00 O flip ATOM 965 ND2 ASN A 284 -9.431 -5.771 -18.449 1.00 0.00 N flip ATOM 0 H ASN A 284 -4.897 -7.265 -16.916 1.00 0.00 H new ATOM 0 HA ASN A 284 -6.693 -8.037 -19.143 1.00 0.00 H new ATOM 0 HB2 ASN A 284 -7.454 -6.582 -17.050 1.00 0.00 H new ATOM 0 HB3 ASN A 284 -6.613 -5.295 -17.891 1.00 0.00 H new ATOM 0 HD21 ASN A 284 -9.540 -5.680 -17.439 1.00 0.00 H new ATOM 0 HD22 ASN A 284 -10.234 -5.637 -19.063 1.00 0.00 H new