USER MOD reduce.3.24.130724 H: found=0, std=0, add=479, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 478 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 242 GLN : amide:sc= -0.0894 K(o=-0.089,f=-2.3!) USER MOD Set 1.2: A 246 LYS NZ :NH3+ 149:sc= 0 (180deg=-0.195) USER MOD Single : A 220 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 230 MET CE :methyl -142:sc= -3.49! (180deg=-6.76!) USER MOD Single : A 236 THR OG1 : rot 30:sc= 0.386 USER MOD Single : A 237 HIS : no HD1:sc= -0.39 K(o=-0.39,f=-1.1) USER MOD Single : A 239 SER OG : rot 180:sc= 0 USER MOD Single : A 240 ASN : amide:sc= -2.31! C(o=-2.3!,f=-5.6!) USER MOD Single : A 243 GLN : amide:sc=-0.00295 K(o=-0.003,f=-1.6) USER MOD Single : A 251 THR OG1 : rot 120:sc= -1.65 USER MOD Single : A 259 THR OG1 : rot 180:sc= 0 USER MOD Single : A 261 THR OG1 : rot 180:sc= -2.04! USER MOD Single : A 265 TYR OH : rot 180:sc= 0 USER MOD Single : A 268 SER OG : rot 180:sc= 0 USER MOD Single : A 273 LYS NZ :NH3+ -144:sc= -0.871 (180deg=-2.92!) USER MOD Single : A 274 LYS NZ :NH3+ -155:sc= -0.16 (180deg=-0.904) USER MOD ----------------------------------------------------------------- ATOM 148 N ALA A 217 12.244 -9.727 -6.255 1.00 0.00 N ATOM 149 CA ALA A 217 11.383 -10.125 -5.148 1.00 0.00 C ATOM 150 C ALA A 217 10.776 -11.502 -5.392 1.00 0.00 C ATOM 151 O ALA A 217 10.011 -11.695 -6.336 1.00 0.00 O ATOM 152 CB ALA A 217 10.286 -9.092 -4.935 1.00 0.00 C ATOM 0 HA ALA A 217 11.994 -10.181 -4.247 1.00 0.00 H new ATOM 0 HB1 ALA A 217 9.651 -9.402 -4.105 1.00 0.00 H new ATOM 0 HB2 ALA A 217 10.736 -8.126 -4.706 1.00 0.00 H new ATOM 0 HB3 ALA A 217 9.685 -9.007 -5.840 1.00 0.00 H new ATOM 158 N ALA A 218 11.122 -12.457 -4.534 1.00 0.00 N ATOM 159 CA ALA A 218 10.610 -13.816 -4.656 1.00 0.00 C ATOM 160 C ALA A 218 9.085 -13.827 -4.684 1.00 0.00 C ATOM 161 O ALA A 218 8.474 -14.599 -5.422 1.00 0.00 O ATOM 162 CB ALA A 218 11.126 -14.679 -3.514 1.00 0.00 C ATOM 0 H ALA A 218 11.755 -12.314 -3.747 1.00 0.00 H new ATOM 0 HA ALA A 218 10.968 -14.230 -5.599 1.00 0.00 H new ATOM 0 HB1 ALA A 218 10.736 -15.691 -3.618 1.00 0.00 H new ATOM 0 HB2 ALA A 218 12.215 -14.706 -3.541 1.00 0.00 H new ATOM 0 HB3 ALA A 218 10.797 -14.259 -2.563 1.00 0.00 H new ATOM 168 N PHE A 219 8.477 -12.967 -3.874 1.00 0.00 N ATOM 169 CA PHE A 219 7.023 -12.879 -3.804 1.00 0.00 C ATOM 170 C PHE A 219 6.529 -11.560 -4.391 1.00 0.00 C ATOM 171 O PHE A 219 7.129 -10.507 -4.173 1.00 0.00 O ATOM 172 CB PHE A 219 6.552 -13.015 -2.355 1.00 0.00 C ATOM 173 CG PHE A 219 6.633 -14.418 -1.826 1.00 0.00 C ATOM 174 CD1 PHE A 219 7.857 -14.980 -1.501 1.00 0.00 C ATOM 175 CD2 PHE A 219 5.486 -15.175 -1.654 1.00 0.00 C ATOM 176 CE1 PHE A 219 7.935 -16.272 -1.016 1.00 0.00 C ATOM 177 CE2 PHE A 219 5.557 -16.467 -1.168 1.00 0.00 C ATOM 178 CZ PHE A 219 6.784 -17.016 -0.848 1.00 0.00 C ATOM 0 H PHE A 219 8.969 -12.321 -3.257 1.00 0.00 H new ATOM 0 HA PHE A 219 6.605 -13.696 -4.392 1.00 0.00 H new ATOM 0 HB2 PHE A 219 7.154 -12.362 -1.723 1.00 0.00 H new ATOM 0 HB3 PHE A 219 5.522 -12.667 -2.282 1.00 0.00 H new ATOM 0 HD1 PHE A 219 8.760 -14.402 -1.628 1.00 0.00 H new ATOM 0 HD2 PHE A 219 4.524 -14.751 -1.903 1.00 0.00 H new ATOM 0 HE1 PHE A 219 8.896 -16.699 -0.769 1.00 0.00 H new ATOM 0 HE2 PHE A 219 4.655 -17.047 -1.039 1.00 0.00 H new ATOM 0 HZ PHE A 219 6.843 -18.025 -0.467 1.00 0.00 H new ATOM 188 N HIS A 220 5.431 -11.626 -5.137 1.00 0.00 N ATOM 189 CA HIS A 220 4.855 -10.437 -5.756 1.00 0.00 C ATOM 190 C HIS A 220 3.340 -10.411 -5.576 1.00 0.00 C ATOM 191 O HIS A 220 2.701 -11.457 -5.465 1.00 0.00 O ATOM 192 CB HIS A 220 5.205 -10.391 -7.243 1.00 0.00 C ATOM 193 CG HIS A 220 5.030 -11.704 -7.941 1.00 0.00 C ATOM 194 ND1 HIS A 220 6.088 -12.507 -8.310 1.00 0.00 N ATOM 195 CD2 HIS A 220 3.910 -12.354 -8.337 1.00 0.00 C ATOM 196 CE1 HIS A 220 5.627 -13.594 -8.903 1.00 0.00 C ATOM 197 NE2 HIS A 220 4.308 -13.526 -8.932 1.00 0.00 N ATOM 0 H HIS A 220 4.922 -12.489 -5.328 1.00 0.00 H new ATOM 0 HA HIS A 220 5.276 -9.560 -5.264 1.00 0.00 H new ATOM 0 HB2 HIS A 220 4.580 -9.643 -7.732 1.00 0.00 H new ATOM 0 HB3 HIS A 220 6.239 -10.065 -7.354 1.00 0.00 H new ATOM 0 HD2 HIS A 220 2.893 -12.014 -8.209 1.00 0.00 H new ATOM 0 HE1 HIS A 220 6.227 -14.401 -9.297 1.00 0.00 H new ATOM 0 HE2 HIS A 220 3.686 -14.229 -9.331 1.00 0.00 H new ATOM 205 N GLU A 221 2.772 -9.209 -5.548 1.00 0.00 N ATOM 206 CA GLU A 221 1.333 -9.049 -5.380 1.00 0.00 C ATOM 207 C GLU A 221 0.773 -8.060 -6.399 1.00 0.00 C ATOM 208 O GLU A 221 1.442 -7.098 -6.777 1.00 0.00 O ATOM 209 CB GLU A 221 1.012 -8.573 -3.962 1.00 0.00 C ATOM 210 CG GLU A 221 1.407 -9.567 -2.883 1.00 0.00 C ATOM 211 CD GLU A 221 0.553 -9.443 -1.636 1.00 0.00 C ATOM 212 OE1 GLU A 221 0.533 -8.348 -1.035 1.00 0.00 O ATOM 213 OE2 GLU A 221 -0.096 -10.442 -1.260 1.00 0.00 O ATOM 0 H GLU A 221 3.286 -8.333 -5.639 1.00 0.00 H new ATOM 0 HA GLU A 221 0.864 -10.019 -5.545 1.00 0.00 H new ATOM 0 HB2 GLU A 221 1.525 -7.629 -3.780 1.00 0.00 H new ATOM 0 HB3 GLU A 221 -0.057 -8.374 -3.888 1.00 0.00 H new ATOM 0 HG2 GLU A 221 1.322 -10.579 -3.278 1.00 0.00 H new ATOM 0 HG3 GLU A 221 2.454 -9.415 -2.619 1.00 0.00 H new ATOM 220 N GLU A 222 -0.457 -8.306 -6.840 1.00 0.00 N ATOM 221 CA GLU A 222 -1.105 -7.438 -7.816 1.00 0.00 C ATOM 222 C GLU A 222 -2.623 -7.483 -7.660 1.00 0.00 C ATOM 223 O GLU A 222 -3.246 -8.527 -7.848 1.00 0.00 O ATOM 224 CB GLU A 222 -0.715 -7.850 -9.237 1.00 0.00 C ATOM 225 CG GLU A 222 -1.462 -7.088 -10.318 1.00 0.00 C ATOM 226 CD GLU A 222 -2.763 -7.759 -10.712 1.00 0.00 C ATOM 227 OE1 GLU A 222 -2.773 -9.000 -10.852 1.00 0.00 O ATOM 228 OE2 GLU A 222 -3.772 -7.042 -10.881 1.00 0.00 O ATOM 0 H GLU A 222 -1.024 -9.098 -6.537 1.00 0.00 H new ATOM 0 HA GLU A 222 -0.768 -6.417 -7.637 1.00 0.00 H new ATOM 0 HB2 GLU A 222 0.356 -7.696 -9.370 1.00 0.00 H new ATOM 0 HB3 GLU A 222 -0.902 -8.917 -9.361 1.00 0.00 H new ATOM 0 HG2 GLU A 222 -1.671 -6.077 -9.967 1.00 0.00 H new ATOM 0 HG3 GLU A 222 -0.825 -6.994 -11.197 1.00 0.00 H new ATOM 235 N PHE A 223 -3.210 -6.342 -7.315 1.00 0.00 N ATOM 236 CA PHE A 223 -4.654 -6.250 -7.132 1.00 0.00 C ATOM 237 C PHE A 223 -5.199 -4.963 -7.745 1.00 0.00 C ATOM 238 O PHE A 223 -4.485 -3.967 -7.862 1.00 0.00 O ATOM 239 CB PHE A 223 -5.006 -6.309 -5.644 1.00 0.00 C ATOM 240 CG PHE A 223 -4.118 -5.455 -4.784 1.00 0.00 C ATOM 241 CD1 PHE A 223 -2.919 -5.950 -4.298 1.00 0.00 C ATOM 242 CD2 PHE A 223 -4.484 -4.159 -4.461 1.00 0.00 C ATOM 243 CE1 PHE A 223 -2.100 -5.167 -3.507 1.00 0.00 C ATOM 244 CE2 PHE A 223 -3.669 -3.371 -3.670 1.00 0.00 C ATOM 245 CZ PHE A 223 -2.476 -3.876 -3.192 1.00 0.00 C ATOM 0 H PHE A 223 -2.708 -5.468 -7.156 1.00 0.00 H new ATOM 0 HA PHE A 223 -5.114 -7.097 -7.641 1.00 0.00 H new ATOM 0 HB2 PHE A 223 -6.041 -5.993 -5.511 1.00 0.00 H new ATOM 0 HB3 PHE A 223 -4.942 -7.343 -5.304 1.00 0.00 H new ATOM 0 HD1 PHE A 223 -2.621 -6.959 -4.540 1.00 0.00 H new ATOM 0 HD2 PHE A 223 -5.417 -3.760 -4.831 1.00 0.00 H new ATOM 0 HE1 PHE A 223 -1.167 -5.564 -3.136 1.00 0.00 H new ATOM 0 HE2 PHE A 223 -3.965 -2.361 -3.426 1.00 0.00 H new ATOM 0 HZ PHE A 223 -1.838 -3.263 -2.573 1.00 0.00 H new ATOM 255 N VAL A 224 -6.470 -4.992 -8.134 1.00 0.00 N ATOM 256 CA VAL A 224 -7.112 -3.828 -8.734 1.00 0.00 C ATOM 257 C VAL A 224 -8.003 -3.111 -7.725 1.00 0.00 C ATOM 258 O VAL A 224 -8.933 -3.700 -7.174 1.00 0.00 O ATOM 259 CB VAL A 224 -7.957 -4.223 -9.959 1.00 0.00 C ATOM 260 CG1 VAL A 224 -8.510 -2.985 -10.648 1.00 0.00 C ATOM 261 CG2 VAL A 224 -7.133 -5.059 -10.927 1.00 0.00 C ATOM 0 H VAL A 224 -7.075 -5.808 -8.044 1.00 0.00 H new ATOM 0 HA VAL A 224 -6.315 -3.156 -9.053 1.00 0.00 H new ATOM 0 HB VAL A 224 -8.799 -4.826 -9.619 1.00 0.00 H new ATOM 0 HG11 VAL A 224 -9.104 -3.284 -11.511 1.00 0.00 H new ATOM 0 HG12 VAL A 224 -9.137 -2.430 -9.950 1.00 0.00 H new ATOM 0 HG13 VAL A 224 -7.685 -2.353 -10.977 1.00 0.00 H new ATOM 0 HG21 VAL A 224 -7.746 -5.329 -11.787 1.00 0.00 H new ATOM 0 HG22 VAL A 224 -6.271 -4.483 -11.263 1.00 0.00 H new ATOM 0 HG23 VAL A 224 -6.791 -5.965 -10.426 1.00 0.00 H new ATOM 271 N VAL A 225 -7.712 -1.836 -7.489 1.00 0.00 N ATOM 272 CA VAL A 225 -8.487 -1.037 -6.548 1.00 0.00 C ATOM 273 C VAL A 225 -9.426 -0.084 -7.279 1.00 0.00 C ATOM 274 O VAL A 225 -9.066 0.492 -8.305 1.00 0.00 O ATOM 275 CB VAL A 225 -7.571 -0.223 -5.615 1.00 0.00 C ATOM 276 CG1 VAL A 225 -8.359 0.877 -4.919 1.00 0.00 C ATOM 277 CG2 VAL A 225 -6.901 -1.134 -4.598 1.00 0.00 C ATOM 0 H VAL A 225 -6.945 -1.334 -7.937 1.00 0.00 H new ATOM 0 HA VAL A 225 -9.075 -1.734 -5.950 1.00 0.00 H new ATOM 0 HB VAL A 225 -6.793 0.245 -6.217 1.00 0.00 H new ATOM 0 HG11 VAL A 225 -7.695 1.441 -4.264 1.00 0.00 H new ATOM 0 HG12 VAL A 225 -8.787 1.546 -5.666 1.00 0.00 H new ATOM 0 HG13 VAL A 225 -9.160 0.433 -4.328 1.00 0.00 H new ATOM 0 HG21 VAL A 225 -6.258 -0.542 -3.947 1.00 0.00 H new ATOM 0 HG22 VAL A 225 -7.663 -1.633 -3.999 1.00 0.00 H new ATOM 0 HG23 VAL A 225 -6.302 -1.881 -5.118 1.00 0.00 H new ATOM 287 N ARG A 226 -10.631 0.078 -6.743 1.00 0.00 N ATOM 288 CA ARG A 226 -11.623 0.961 -7.345 1.00 0.00 C ATOM 289 C ARG A 226 -11.073 2.377 -7.491 1.00 0.00 C ATOM 290 O ARG A 226 -10.587 2.966 -6.526 1.00 0.00 O ATOM 291 CB ARG A 226 -12.898 0.982 -6.500 1.00 0.00 C ATOM 292 CG ARG A 226 -13.893 -0.106 -6.870 1.00 0.00 C ATOM 293 CD ARG A 226 -15.131 -0.053 -5.989 1.00 0.00 C ATOM 294 NE ARG A 226 -16.157 -0.993 -6.430 1.00 0.00 N ATOM 295 CZ ARG A 226 -17.254 -1.264 -5.732 1.00 0.00 C ATOM 296 NH1 ARG A 226 -17.467 -0.668 -4.566 1.00 0.00 N ATOM 297 NH2 ARG A 226 -18.143 -2.132 -6.200 1.00 0.00 N ATOM 0 H ARG A 226 -10.944 -0.391 -5.893 1.00 0.00 H new ATOM 0 HA ARG A 226 -11.860 0.577 -8.337 1.00 0.00 H new ATOM 0 HB2 ARG A 226 -12.629 0.874 -5.449 1.00 0.00 H new ATOM 0 HB3 ARG A 226 -13.379 1.954 -6.608 1.00 0.00 H new ATOM 0 HG2 ARG A 226 -14.184 0.005 -7.915 1.00 0.00 H new ATOM 0 HG3 ARG A 226 -13.418 -1.082 -6.774 1.00 0.00 H new ATOM 0 HD2 ARG A 226 -14.853 -0.277 -4.959 1.00 0.00 H new ATOM 0 HD3 ARG A 226 -15.538 0.958 -5.997 1.00 0.00 H new ATOM 0 HE ARG A 226 -16.024 -1.468 -7.323 1.00 0.00 H new ATOM 0 HH11 ARG A 226 -16.787 0.000 -4.203 1.00 0.00 H new ATOM 0 HH12 ARG A 226 -18.310 -0.878 -4.032 1.00 0.00 H new ATOM 0 HH21 ARG A 226 -17.984 -2.592 -7.097 1.00 0.00 H new ATOM 0 HH22 ARG A 226 -18.985 -2.339 -5.663 1.00 0.00 H new ATOM 311 N GLU A 227 -11.153 2.915 -8.704 1.00 0.00 N ATOM 312 CA GLU A 227 -10.662 4.261 -8.975 1.00 0.00 C ATOM 313 C GLU A 227 -11.223 5.259 -7.966 1.00 0.00 C ATOM 314 O GLU A 227 -10.654 6.331 -7.755 1.00 0.00 O ATOM 315 CB GLU A 227 -11.039 4.689 -10.395 1.00 0.00 C ATOM 316 CG GLU A 227 -10.660 6.124 -10.719 1.00 0.00 C ATOM 317 CD GLU A 227 -11.051 6.527 -12.128 1.00 0.00 C ATOM 318 OE1 GLU A 227 -10.684 5.803 -13.076 1.00 0.00 O ATOM 319 OE2 GLU A 227 -11.725 7.567 -12.281 1.00 0.00 O ATOM 0 H GLU A 227 -11.553 2.440 -9.513 1.00 0.00 H new ATOM 0 HA GLU A 227 -9.576 4.249 -8.883 1.00 0.00 H new ATOM 0 HB2 GLU A 227 -10.551 4.024 -11.107 1.00 0.00 H new ATOM 0 HB3 GLU A 227 -12.114 4.567 -10.529 1.00 0.00 H new ATOM 0 HG2 GLU A 227 -11.143 6.793 -10.007 1.00 0.00 H new ATOM 0 HG3 GLU A 227 -9.584 6.249 -10.595 1.00 0.00 H new ATOM 326 N ASP A 228 -12.340 4.899 -7.345 1.00 0.00 N ATOM 327 CA ASP A 228 -12.979 5.761 -6.357 1.00 0.00 C ATOM 328 C ASP A 228 -12.321 5.600 -4.990 1.00 0.00 C ATOM 329 O ASP A 228 -12.088 6.581 -4.283 1.00 0.00 O ATOM 330 CB ASP A 228 -14.471 5.442 -6.259 1.00 0.00 C ATOM 331 CG ASP A 228 -15.291 6.184 -7.297 1.00 0.00 C ATOM 332 OD1 ASP A 228 -15.540 7.392 -7.104 1.00 0.00 O ATOM 333 OD2 ASP A 228 -15.683 5.556 -8.303 1.00 0.00 O ATOM 0 H ASP A 228 -12.823 4.015 -7.508 1.00 0.00 H new ATOM 0 HA ASP A 228 -12.857 6.795 -6.680 1.00 0.00 H new ATOM 0 HB2 ASP A 228 -14.619 4.369 -6.382 1.00 0.00 H new ATOM 0 HB3 ASP A 228 -14.830 5.701 -5.263 1.00 0.00 H new ATOM 338 N LEU A 229 -12.025 4.358 -4.624 1.00 0.00 N ATOM 339 CA LEU A 229 -11.395 4.069 -3.340 1.00 0.00 C ATOM 340 C LEU A 229 -9.902 4.380 -3.384 1.00 0.00 C ATOM 341 O LEU A 229 -9.251 4.492 -2.346 1.00 0.00 O ATOM 342 CB LEU A 229 -11.611 2.602 -2.964 1.00 0.00 C ATOM 343 CG LEU A 229 -13.058 2.180 -2.708 1.00 0.00 C ATOM 344 CD1 LEU A 229 -13.177 0.664 -2.687 1.00 0.00 C ATOM 345 CD2 LEU A 229 -13.564 2.775 -1.401 1.00 0.00 C ATOM 0 H LEU A 229 -12.211 3.535 -5.197 1.00 0.00 H new ATOM 0 HA LEU A 229 -11.857 4.704 -2.584 1.00 0.00 H new ATOM 0 HB2 LEU A 229 -11.208 1.980 -3.763 1.00 0.00 H new ATOM 0 HB3 LEU A 229 -11.027 2.388 -2.069 1.00 0.00 H new ATOM 0 HG LEU A 229 -13.676 2.561 -3.521 1.00 0.00 H new ATOM 0 HD11 LEU A 229 -14.214 0.383 -2.504 1.00 0.00 H new ATOM 0 HD12 LEU A 229 -12.856 0.261 -3.647 1.00 0.00 H new ATOM 0 HD13 LEU A 229 -12.546 0.260 -1.895 1.00 0.00 H new ATOM 0 HD21 LEU A 229 -14.595 2.464 -1.235 1.00 0.00 H new ATOM 0 HD22 LEU A 229 -12.942 2.425 -0.577 1.00 0.00 H new ATOM 0 HD23 LEU A 229 -13.517 3.863 -1.454 1.00 0.00 H new ATOM 357 N MET A 230 -9.368 4.521 -4.592 1.00 0.00 N ATOM 358 CA MET A 230 -7.952 4.823 -4.771 1.00 0.00 C ATOM 359 C MET A 230 -7.508 5.929 -3.818 1.00 0.00 C ATOM 360 O MET A 230 -6.725 5.693 -2.900 1.00 0.00 O ATOM 361 CB MET A 230 -7.676 5.239 -6.217 1.00 0.00 C ATOM 362 CG MET A 230 -7.593 4.066 -7.181 1.00 0.00 C ATOM 363 SD MET A 230 -6.307 2.886 -6.729 1.00 0.00 S ATOM 364 CE MET A 230 -5.285 2.919 -8.200 1.00 0.00 C ATOM 0 H MET A 230 -9.894 4.431 -5.462 1.00 0.00 H new ATOM 0 HA MET A 230 -7.382 3.922 -4.545 1.00 0.00 H new ATOM 0 HB2 MET A 230 -8.463 5.916 -6.548 1.00 0.00 H new ATOM 0 HB3 MET A 230 -6.740 5.796 -6.254 1.00 0.00 H new ATOM 0 HG2 MET A 230 -8.556 3.555 -7.210 1.00 0.00 H new ATOM 0 HG3 MET A 230 -7.401 4.440 -8.187 1.00 0.00 H new ATOM 0 HE1 MET A 230 -4.922 1.914 -8.413 1.00 0.00 H new ATOM 0 HE2 MET A 230 -5.874 3.279 -9.044 1.00 0.00 H new ATOM 0 HE3 MET A 230 -4.437 3.585 -8.039 1.00 0.00 H new ATOM 374 N GLY A 231 -8.015 7.138 -4.045 1.00 0.00 N ATOM 375 CA GLY A 231 -7.658 8.262 -3.198 1.00 0.00 C ATOM 376 C GLY A 231 -7.556 7.877 -1.736 1.00 0.00 C ATOM 377 O GLY A 231 -6.508 8.051 -1.112 1.00 0.00 O ATOM 0 H GLY A 231 -8.665 7.359 -4.799 1.00 0.00 H new ATOM 0 HA2 GLY A 231 -6.705 8.674 -3.529 1.00 0.00 H new ATOM 0 HA3 GLY A 231 -8.403 9.050 -3.312 1.00 0.00 H new ATOM 381 N LEU A 232 -8.646 7.354 -1.186 1.00 0.00 N ATOM 382 CA LEU A 232 -8.675 6.944 0.214 1.00 0.00 C ATOM 383 C LEU A 232 -7.555 5.954 0.515 1.00 0.00 C ATOM 384 O LEU A 232 -6.665 6.234 1.318 1.00 0.00 O ATOM 385 CB LEU A 232 -10.029 6.319 0.554 1.00 0.00 C ATOM 386 CG LEU A 232 -11.241 7.246 0.455 1.00 0.00 C ATOM 387 CD1 LEU A 232 -12.530 6.440 0.430 1.00 0.00 C ATOM 388 CD2 LEU A 232 -11.252 8.235 1.612 1.00 0.00 C ATOM 0 H LEU A 232 -9.521 7.204 -1.688 1.00 0.00 H new ATOM 0 HA LEU A 232 -8.526 7.831 0.830 1.00 0.00 H new ATOM 0 HB2 LEU A 232 -10.191 5.470 -0.110 1.00 0.00 H new ATOM 0 HB3 LEU A 232 -9.980 5.925 1.569 1.00 0.00 H new ATOM 0 HG LEU A 232 -11.169 7.807 -0.477 1.00 0.00 H new ATOM 0 HD11 LEU A 232 -13.381 7.117 0.359 1.00 0.00 H new ATOM 0 HD12 LEU A 232 -12.525 5.772 -0.432 1.00 0.00 H new ATOM 0 HD13 LEU A 232 -12.609 5.852 1.344 1.00 0.00 H new ATOM 0 HD21 LEU A 232 -12.121 8.887 1.525 1.00 0.00 H new ATOM 0 HD22 LEU A 232 -11.299 7.691 2.555 1.00 0.00 H new ATOM 0 HD23 LEU A 232 -10.343 8.837 1.585 1.00 0.00 H new ATOM 400 N ALA A 233 -7.604 4.797 -0.135 1.00 0.00 N ATOM 401 CA ALA A 233 -6.591 3.767 0.060 1.00 0.00 C ATOM 402 C ALA A 233 -5.194 4.375 0.114 1.00 0.00 C ATOM 403 O ALA A 233 -4.391 4.032 0.983 1.00 0.00 O ATOM 404 CB ALA A 233 -6.674 2.728 -1.049 1.00 0.00 C ATOM 0 H ALA A 233 -8.335 4.549 -0.802 1.00 0.00 H new ATOM 0 HA ALA A 233 -6.784 3.279 1.015 1.00 0.00 H new ATOM 0 HB1 ALA A 233 -5.912 1.965 -0.891 1.00 0.00 H new ATOM 0 HB2 ALA A 233 -7.660 2.263 -1.039 1.00 0.00 H new ATOM 0 HB3 ALA A 233 -6.510 3.210 -2.013 1.00 0.00 H new ATOM 410 N ILE A 234 -4.910 5.278 -0.818 1.00 0.00 N ATOM 411 CA ILE A 234 -3.609 5.933 -0.875 1.00 0.00 C ATOM 412 C ILE A 234 -3.459 6.957 0.246 1.00 0.00 C ATOM 413 O ILE A 234 -2.354 7.218 0.719 1.00 0.00 O ATOM 414 CB ILE A 234 -3.391 6.636 -2.228 1.00 0.00 C ATOM 415 CG1 ILE A 234 -3.547 5.637 -3.377 1.00 0.00 C ATOM 416 CG2 ILE A 234 -2.018 7.289 -2.270 1.00 0.00 C ATOM 417 CD1 ILE A 234 -3.344 6.252 -4.744 1.00 0.00 C ATOM 0 H ILE A 234 -5.563 5.573 -1.544 1.00 0.00 H new ATOM 0 HA ILE A 234 -2.858 5.152 -0.755 1.00 0.00 H new ATOM 0 HB ILE A 234 -4.146 7.414 -2.343 1.00 0.00 H new ATOM 0 HG12 ILE A 234 -2.831 4.826 -3.242 1.00 0.00 H new ATOM 0 HG13 ILE A 234 -4.542 5.195 -3.331 1.00 0.00 H new ATOM 0 HG21 ILE A 234 -1.879 7.782 -3.232 1.00 0.00 H new ATOM 0 HG22 ILE A 234 -1.941 8.026 -1.471 1.00 0.00 H new ATOM 0 HG23 ILE A 234 -1.249 6.528 -2.137 1.00 0.00 H new ATOM 0 HD11 ILE A 234 -3.469 5.486 -5.510 1.00 0.00 H new ATOM 0 HD12 ILE A 234 -4.077 7.044 -4.899 1.00 0.00 H new ATOM 0 HD13 ILE A 234 -2.339 6.669 -4.810 1.00 0.00 H new ATOM 429 N GLY A 235 -4.581 7.532 0.669 1.00 0.00 N ATOM 430 CA GLY A 235 -4.554 8.519 1.732 1.00 0.00 C ATOM 431 C GLY A 235 -4.471 9.937 1.205 1.00 0.00 C ATOM 432 O GLY A 235 -4.756 10.191 0.034 1.00 0.00 O ATOM 0 H GLY A 235 -5.508 7.332 0.294 1.00 0.00 H new ATOM 0 HA2 GLY A 235 -5.450 8.414 2.344 1.00 0.00 H new ATOM 0 HA3 GLY A 235 -3.700 8.326 2.381 1.00 0.00 H new ATOM 436 N THR A 236 -4.081 10.867 2.071 1.00 0.00 N ATOM 437 CA THR A 236 -3.964 12.268 1.688 1.00 0.00 C ATOM 438 C THR A 236 -2.527 12.620 1.322 1.00 0.00 C ATOM 439 O THR A 236 -1.608 12.428 2.118 1.00 0.00 O ATOM 440 CB THR A 236 -4.438 13.202 2.818 1.00 0.00 C ATOM 441 OG1 THR A 236 -3.615 13.025 3.976 1.00 0.00 O ATOM 442 CG2 THR A 236 -5.891 12.926 3.175 1.00 0.00 C ATOM 0 H THR A 236 -3.841 10.675 3.043 1.00 0.00 H new ATOM 0 HA THR A 236 -4.603 12.411 0.817 1.00 0.00 H new ATOM 0 HB THR A 236 -4.356 14.231 2.468 1.00 0.00 H new ATOM 0 HG1 THR A 236 -2.714 12.758 3.699 1.00 0.00 H new ATOM 0 HG21 THR A 236 -6.203 13.597 3.975 1.00 0.00 H new ATOM 0 HG22 THR A 236 -6.518 13.089 2.299 1.00 0.00 H new ATOM 0 HG23 THR A 236 -5.994 11.893 3.507 1.00 0.00 H new ATOM 450 N HIS A 237 -2.339 13.138 0.112 1.00 0.00 N ATOM 451 CA HIS A 237 -1.012 13.519 -0.359 1.00 0.00 C ATOM 452 C HIS A 237 -0.077 12.313 -0.380 1.00 0.00 C ATOM 453 O HIS A 237 1.107 12.428 -0.066 1.00 0.00 O ATOM 454 CB HIS A 237 -0.428 14.617 0.530 1.00 0.00 C ATOM 455 CG HIS A 237 0.750 15.315 -0.076 1.00 0.00 C ATOM 456 ND1 HIS A 237 2.053 15.044 0.284 1.00 0.00 N ATOM 457 CD2 HIS A 237 0.816 16.278 -1.026 1.00 0.00 C ATOM 458 CE1 HIS A 237 2.870 15.811 -0.416 1.00 0.00 C ATOM 459 NE2 HIS A 237 2.144 16.569 -1.219 1.00 0.00 N ATOM 0 H HIS A 237 -3.089 13.303 -0.560 1.00 0.00 H new ATOM 0 HA HIS A 237 -1.109 13.899 -1.376 1.00 0.00 H new ATOM 0 HB2 HIS A 237 -1.205 15.351 0.744 1.00 0.00 H new ATOM 0 HB3 HIS A 237 -0.130 14.181 1.484 1.00 0.00 H new ATOM 0 HD2 HIS A 237 -0.020 16.732 -1.537 1.00 0.00 H new ATOM 0 HE1 HIS A 237 3.948 15.817 -0.344 1.00 0.00 H new ATOM 0 HE2 HIS A 237 2.511 17.258 -1.875 1.00 0.00 H new ATOM 467 N GLY A 238 -0.618 11.157 -0.752 1.00 0.00 N ATOM 468 CA GLY A 238 0.182 9.947 -0.807 1.00 0.00 C ATOM 469 C GLY A 238 0.749 9.566 0.547 1.00 0.00 C ATOM 470 O GLY A 238 1.966 9.546 0.734 1.00 0.00 O ATOM 0 H GLY A 238 -1.596 11.037 -1.016 1.00 0.00 H new ATOM 0 HA2 GLY A 238 -0.429 9.128 -1.185 1.00 0.00 H new ATOM 0 HA3 GLY A 238 1.000 10.087 -1.514 1.00 0.00 H new ATOM 474 N SER A 239 -0.134 9.264 1.493 1.00 0.00 N ATOM 475 CA SER A 239 0.285 8.887 2.838 1.00 0.00 C ATOM 476 C SER A 239 0.423 7.373 2.959 1.00 0.00 C ATOM 477 O SER A 239 1.492 6.860 3.289 1.00 0.00 O ATOM 478 CB SER A 239 -0.718 9.404 3.871 1.00 0.00 C ATOM 479 OG SER A 239 -0.143 9.440 5.166 1.00 0.00 O ATOM 0 H SER A 239 -1.144 9.273 1.353 1.00 0.00 H new ATOM 0 HA SER A 239 1.258 9.339 3.029 1.00 0.00 H new ATOM 0 HB2 SER A 239 -1.052 10.403 3.590 1.00 0.00 H new ATOM 0 HB3 SER A 239 -1.600 8.763 3.879 1.00 0.00 H new ATOM 0 HG SER A 239 -0.803 9.775 5.808 1.00 0.00 H new ATOM 485 N ASN A 240 -0.667 6.662 2.690 1.00 0.00 N ATOM 486 CA ASN A 240 -0.670 5.206 2.769 1.00 0.00 C ATOM 487 C ASN A 240 0.507 4.617 1.996 1.00 0.00 C ATOM 488 O ASN A 240 1.283 3.828 2.535 1.00 0.00 O ATOM 489 CB ASN A 240 -1.985 4.647 2.223 1.00 0.00 C ATOM 490 CG ASN A 240 -3.166 4.966 3.119 1.00 0.00 C ATOM 491 OD1 ASN A 240 -3.429 6.129 3.426 1.00 0.00 O ATOM 492 ND2 ASN A 240 -3.883 3.932 3.543 1.00 0.00 N ATOM 0 H ASN A 240 -1.560 7.071 2.415 1.00 0.00 H new ATOM 0 HA ASN A 240 -0.571 4.924 3.817 1.00 0.00 H new ATOM 0 HB2 ASN A 240 -2.166 5.056 1.229 1.00 0.00 H new ATOM 0 HB3 ASN A 240 -1.899 3.566 2.112 1.00 0.00 H new ATOM 0 HD21 ASN A 240 -4.689 4.085 4.149 1.00 0.00 H new ATOM 0 HD22 ASN A 240 -3.628 2.985 3.263 1.00 0.00 H new ATOM 499 N ILE A 241 0.632 5.007 0.732 1.00 0.00 N ATOM 500 CA ILE A 241 1.714 4.519 -0.114 1.00 0.00 C ATOM 501 C ILE A 241 3.063 4.660 0.584 1.00 0.00 C ATOM 502 O ILE A 241 3.848 3.713 0.632 1.00 0.00 O ATOM 503 CB ILE A 241 1.762 5.273 -1.456 1.00 0.00 C ATOM 504 CG1 ILE A 241 0.588 4.853 -2.344 1.00 0.00 C ATOM 505 CG2 ILE A 241 3.085 5.015 -2.161 1.00 0.00 C ATOM 506 CD1 ILE A 241 0.665 5.407 -3.749 1.00 0.00 C ATOM 0 H ILE A 241 -0.002 5.659 0.271 1.00 0.00 H new ATOM 0 HA ILE A 241 1.515 3.465 -0.306 1.00 0.00 H new ATOM 0 HB ILE A 241 1.680 6.342 -1.259 1.00 0.00 H new ATOM 0 HG12 ILE A 241 0.551 3.765 -2.393 1.00 0.00 H new ATOM 0 HG13 ILE A 241 -0.343 5.183 -1.882 1.00 0.00 H new ATOM 0 HG21 ILE A 241 3.104 5.555 -3.108 1.00 0.00 H new ATOM 0 HG22 ILE A 241 3.906 5.358 -1.531 1.00 0.00 H new ATOM 0 HG23 ILE A 241 3.195 3.947 -2.350 1.00 0.00 H new ATOM 0 HD11 ILE A 241 -0.199 5.069 -4.321 1.00 0.00 H new ATOM 0 HD12 ILE A 241 0.671 6.496 -3.711 1.00 0.00 H new ATOM 0 HD13 ILE A 241 1.578 5.056 -4.229 1.00 0.00 H new ATOM 518 N GLN A 242 3.323 5.846 1.123 1.00 0.00 N ATOM 519 CA GLN A 242 4.577 6.110 1.819 1.00 0.00 C ATOM 520 C GLN A 242 4.863 5.027 2.855 1.00 0.00 C ATOM 521 O GLN A 242 5.849 4.299 2.748 1.00 0.00 O ATOM 522 CB GLN A 242 4.530 7.480 2.497 1.00 0.00 C ATOM 523 CG GLN A 242 4.978 8.620 1.595 1.00 0.00 C ATOM 524 CD GLN A 242 6.475 8.854 1.651 1.00 0.00 C ATOM 525 OE1 GLN A 242 7.190 8.196 2.407 1.00 0.00 O ATOM 526 NE2 GLN A 242 6.957 9.796 0.849 1.00 0.00 N ATOM 0 H GLN A 242 2.683 6.639 1.091 1.00 0.00 H new ATOM 0 HA GLN A 242 5.380 6.104 1.082 1.00 0.00 H new ATOM 0 HB2 GLN A 242 3.512 7.674 2.836 1.00 0.00 H new ATOM 0 HB3 GLN A 242 5.163 7.459 3.384 1.00 0.00 H new ATOM 0 HG2 GLN A 242 4.686 8.402 0.568 1.00 0.00 H new ATOM 0 HG3 GLN A 242 4.460 9.534 1.886 1.00 0.00 H new ATOM 0 HE21 GLN A 242 6.328 10.317 0.238 1.00 0.00 H new ATOM 0 HE22 GLN A 242 7.957 9.999 0.843 1.00 0.00 H new ATOM 535 N GLN A 243 3.993 4.928 3.855 1.00 0.00 N ATOM 536 CA GLN A 243 4.154 3.935 4.911 1.00 0.00 C ATOM 537 C GLN A 243 4.434 2.556 4.322 1.00 0.00 C ATOM 538 O GLN A 243 5.276 1.814 4.827 1.00 0.00 O ATOM 539 CB GLN A 243 2.901 3.883 5.787 1.00 0.00 C ATOM 540 CG GLN A 243 2.811 5.024 6.787 1.00 0.00 C ATOM 541 CD GLN A 243 3.697 4.810 7.998 1.00 0.00 C ATOM 542 OE1 GLN A 243 4.537 3.909 8.016 1.00 0.00 O ATOM 543 NE2 GLN A 243 3.515 5.638 9.019 1.00 0.00 N ATOM 0 H GLN A 243 3.170 5.522 3.956 1.00 0.00 H new ATOM 0 HA GLN A 243 5.006 4.229 5.525 1.00 0.00 H new ATOM 0 HB2 GLN A 243 2.019 3.901 5.147 1.00 0.00 H new ATOM 0 HB3 GLN A 243 2.884 2.936 6.326 1.00 0.00 H new ATOM 0 HG2 GLN A 243 3.092 5.956 6.296 1.00 0.00 H new ATOM 0 HG3 GLN A 243 1.777 5.135 7.113 1.00 0.00 H new ATOM 0 HE21 GLN A 243 2.808 6.371 8.962 1.00 0.00 H new ATOM 0 HE22 GLN A 243 4.082 5.542 9.861 1.00 0.00 H new ATOM 552 N ALA A 244 3.722 2.219 3.252 1.00 0.00 N ATOM 553 CA ALA A 244 3.895 0.930 2.594 1.00 0.00 C ATOM 554 C ALA A 244 5.329 0.751 2.105 1.00 0.00 C ATOM 555 O ALA A 244 5.979 -0.248 2.412 1.00 0.00 O ATOM 556 CB ALA A 244 2.920 0.794 1.434 1.00 0.00 C ATOM 0 H ALA A 244 3.020 2.821 2.822 1.00 0.00 H new ATOM 0 HA ALA A 244 3.687 0.147 3.323 1.00 0.00 H new ATOM 0 HB1 ALA A 244 3.061 -0.173 0.952 1.00 0.00 H new ATOM 0 HB2 ALA A 244 1.898 0.869 1.807 1.00 0.00 H new ATOM 0 HB3 ALA A 244 3.101 1.589 0.711 1.00 0.00 H new ATOM 562 N ARG A 245 5.815 1.725 1.342 1.00 0.00 N ATOM 563 CA ARG A 245 7.171 1.674 0.810 1.00 0.00 C ATOM 564 C ARG A 245 8.198 1.673 1.938 1.00 0.00 C ATOM 565 O ARG A 245 9.381 1.414 1.715 1.00 0.00 O ATOM 566 CB ARG A 245 7.421 2.862 -0.121 1.00 0.00 C ATOM 567 CG ARG A 245 6.977 2.617 -1.554 1.00 0.00 C ATOM 568 CD ARG A 245 7.145 3.862 -2.410 1.00 0.00 C ATOM 569 NE ARG A 245 8.543 4.108 -2.752 1.00 0.00 N ATOM 570 CZ ARG A 245 8.986 5.253 -3.259 1.00 0.00 C ATOM 571 NH1 ARG A 245 8.143 6.252 -3.483 1.00 0.00 N ATOM 572 NH2 ARG A 245 10.273 5.400 -3.544 1.00 0.00 N ATOM 0 H ARG A 245 5.290 2.559 1.079 1.00 0.00 H new ATOM 0 HA ARG A 245 7.278 0.749 0.244 1.00 0.00 H new ATOM 0 HB2 ARG A 245 6.897 3.735 0.269 1.00 0.00 H new ATOM 0 HB3 ARG A 245 8.485 3.100 -0.115 1.00 0.00 H new ATOM 0 HG2 ARG A 245 7.558 1.799 -1.981 1.00 0.00 H new ATOM 0 HG3 ARG A 245 5.933 2.305 -1.564 1.00 0.00 H new ATOM 0 HD2 ARG A 245 6.562 3.754 -3.325 1.00 0.00 H new ATOM 0 HD3 ARG A 245 6.745 4.725 -1.877 1.00 0.00 H new ATOM 0 HE ARG A 245 9.217 3.359 -2.593 1.00 0.00 H new ATOM 0 HH11 ARG A 245 7.152 6.142 -3.266 1.00 0.00 H new ATOM 0 HH12 ARG A 245 8.485 7.130 -3.872 1.00 0.00 H new ATOM 0 HH21 ARG A 245 10.924 4.633 -3.374 1.00 0.00 H new ATOM 0 HH22 ARG A 245 10.612 6.280 -3.933 1.00 0.00 H new ATOM 586 N LYS A 246 7.739 1.966 3.150 1.00 0.00 N ATOM 587 CA LYS A 246 8.616 1.998 4.314 1.00 0.00 C ATOM 588 C LYS A 246 8.568 0.674 5.069 1.00 0.00 C ATOM 589 O LYS A 246 9.065 0.568 6.190 1.00 0.00 O ATOM 590 CB LYS A 246 8.218 3.144 5.246 1.00 0.00 C ATOM 591 CG LYS A 246 8.519 4.521 4.681 1.00 0.00 C ATOM 592 CD LYS A 246 8.682 5.553 5.784 1.00 0.00 C ATOM 593 CE LYS A 246 7.335 6.029 6.306 1.00 0.00 C ATOM 594 NZ LYS A 246 6.830 7.206 5.545 1.00 0.00 N ATOM 0 H LYS A 246 6.763 2.185 3.352 1.00 0.00 H new ATOM 0 HA LYS A 246 9.636 2.159 3.965 1.00 0.00 H new ATOM 0 HB2 LYS A 246 7.151 3.074 5.460 1.00 0.00 H new ATOM 0 HB3 LYS A 246 8.741 3.028 6.195 1.00 0.00 H new ATOM 0 HG2 LYS A 246 9.430 4.479 4.083 1.00 0.00 H new ATOM 0 HG3 LYS A 246 7.713 4.825 4.013 1.00 0.00 H new ATOM 0 HD2 LYS A 246 9.260 5.124 6.603 1.00 0.00 H new ATOM 0 HD3 LYS A 246 9.248 6.404 5.406 1.00 0.00 H new ATOM 0 HE2 LYS A 246 6.612 5.216 6.240 1.00 0.00 H new ATOM 0 HE3 LYS A 246 7.426 6.290 7.360 1.00 0.00 H new ATOM 0 HZ1 LYS A 246 5.790 7.188 5.528 1.00 0.00 H new ATOM 0 HZ2 LYS A 246 7.154 8.081 6.004 1.00 0.00 H new ATOM 0 HZ3 LYS A 246 7.193 7.172 4.571 1.00 0.00 H new ATOM 608 N VAL A 247 7.967 -0.336 4.446 1.00 0.00 N ATOM 609 CA VAL A 247 7.856 -1.654 5.058 1.00 0.00 C ATOM 610 C VAL A 247 9.038 -2.538 4.677 1.00 0.00 C ATOM 611 O VAL A 247 9.492 -2.551 3.532 1.00 0.00 O ATOM 612 CB VAL A 247 6.549 -2.357 4.646 1.00 0.00 C ATOM 613 CG1 VAL A 247 6.493 -3.763 5.223 1.00 0.00 C ATOM 614 CG2 VAL A 247 5.344 -1.541 5.089 1.00 0.00 C ATOM 0 H VAL A 247 7.550 -0.266 3.518 1.00 0.00 H new ATOM 0 HA VAL A 247 7.853 -1.502 6.137 1.00 0.00 H new ATOM 0 HB VAL A 247 6.526 -2.436 3.559 1.00 0.00 H new ATOM 0 HG11 VAL A 247 5.562 -4.243 4.921 1.00 0.00 H new ATOM 0 HG12 VAL A 247 7.338 -4.343 4.851 1.00 0.00 H new ATOM 0 HG13 VAL A 247 6.539 -3.712 6.311 1.00 0.00 H new ATOM 0 HG21 VAL A 247 4.429 -2.052 4.790 1.00 0.00 H new ATOM 0 HG22 VAL A 247 5.359 -1.429 6.173 1.00 0.00 H new ATOM 0 HG23 VAL A 247 5.379 -0.557 4.622 1.00 0.00 H new ATOM 624 N PRO A 248 9.550 -3.298 5.657 1.00 0.00 N ATOM 625 CA PRO A 248 10.685 -4.201 5.447 1.00 0.00 C ATOM 626 C PRO A 248 10.321 -5.398 4.576 1.00 0.00 C ATOM 627 O PRO A 248 9.242 -5.973 4.713 1.00 0.00 O ATOM 628 CB PRO A 248 11.040 -4.659 6.864 1.00 0.00 C ATOM 629 CG PRO A 248 9.774 -4.516 7.637 1.00 0.00 C ATOM 630 CD PRO A 248 9.059 -3.334 7.044 1.00 0.00 C ATOM 0 HA PRO A 248 11.506 -3.709 4.924 1.00 0.00 H new ATOM 0 HB2 PRO A 248 11.393 -5.690 6.870 1.00 0.00 H new ATOM 0 HB3 PRO A 248 11.835 -4.047 7.290 1.00 0.00 H new ATOM 0 HG2 PRO A 248 9.167 -5.418 7.561 1.00 0.00 H new ATOM 0 HG3 PRO A 248 9.979 -4.357 8.696 1.00 0.00 H new ATOM 0 HD2 PRO A 248 7.977 -3.458 7.084 1.00 0.00 H new ATOM 0 HD3 PRO A 248 9.294 -2.413 7.577 1.00 0.00 H new ATOM 638 N GLY A 249 11.229 -5.770 3.679 1.00 0.00 N ATOM 639 CA GLY A 249 10.985 -6.898 2.799 1.00 0.00 C ATOM 640 C GLY A 249 10.448 -6.472 1.447 1.00 0.00 C ATOM 641 O GLY A 249 10.595 -7.190 0.458 1.00 0.00 O ATOM 0 H GLY A 249 12.130 -5.310 3.546 1.00 0.00 H new ATOM 0 HA2 GLY A 249 11.912 -7.454 2.660 1.00 0.00 H new ATOM 0 HA3 GLY A 249 10.275 -7.577 3.271 1.00 0.00 H new ATOM 645 N VAL A 250 9.821 -5.300 1.403 1.00 0.00 N ATOM 646 CA VAL A 250 9.260 -4.780 0.162 1.00 0.00 C ATOM 647 C VAL A 250 10.348 -4.193 -0.730 1.00 0.00 C ATOM 648 O VAL A 250 10.920 -3.146 -0.424 1.00 0.00 O ATOM 649 CB VAL A 250 8.198 -3.699 0.437 1.00 0.00 C ATOM 650 CG1 VAL A 250 7.667 -3.128 -0.869 1.00 0.00 C ATOM 651 CG2 VAL A 250 7.065 -4.267 1.279 1.00 0.00 C ATOM 0 H VAL A 250 9.689 -4.693 2.212 1.00 0.00 H new ATOM 0 HA VAL A 250 8.790 -5.620 -0.349 1.00 0.00 H new ATOM 0 HB VAL A 250 8.666 -2.889 0.997 1.00 0.00 H new ATOM 0 HG11 VAL A 250 6.918 -2.366 -0.655 1.00 0.00 H new ATOM 0 HG12 VAL A 250 8.487 -2.682 -1.432 1.00 0.00 H new ATOM 0 HG13 VAL A 250 7.215 -3.926 -1.458 1.00 0.00 H new ATOM 0 HG21 VAL A 250 6.324 -3.489 1.464 1.00 0.00 H new ATOM 0 HG22 VAL A 250 6.597 -5.096 0.748 1.00 0.00 H new ATOM 0 HG23 VAL A 250 7.462 -4.623 2.230 1.00 0.00 H new ATOM 661 N THR A 251 10.630 -4.874 -1.836 1.00 0.00 N ATOM 662 CA THR A 251 11.650 -4.421 -2.773 1.00 0.00 C ATOM 663 C THR A 251 11.227 -3.130 -3.465 1.00 0.00 C ATOM 664 O THR A 251 11.986 -2.162 -3.512 1.00 0.00 O ATOM 665 CB THR A 251 11.945 -5.489 -3.842 1.00 0.00 C ATOM 666 OG1 THR A 251 10.723 -5.931 -4.444 1.00 0.00 O ATOM 667 CG2 THR A 251 12.675 -6.677 -3.233 1.00 0.00 C ATOM 0 H THR A 251 10.166 -5.742 -2.105 1.00 0.00 H new ATOM 0 HA THR A 251 12.554 -4.239 -2.192 1.00 0.00 H new ATOM 0 HB THR A 251 12.584 -5.042 -4.604 1.00 0.00 H new ATOM 0 HG1 THR A 251 10.747 -5.747 -5.406 1.00 0.00 H new ATOM 0 HG21 THR A 251 12.873 -7.418 -4.007 1.00 0.00 H new ATOM 0 HG22 THR A 251 13.618 -6.342 -2.802 1.00 0.00 H new ATOM 0 HG23 THR A 251 12.058 -7.123 -2.453 1.00 0.00 H new ATOM 675 N ALA A 252 10.010 -3.122 -3.999 1.00 0.00 N ATOM 676 CA ALA A 252 9.485 -1.948 -4.686 1.00 0.00 C ATOM 677 C ALA A 252 7.964 -1.996 -4.771 1.00 0.00 C ATOM 678 O ALA A 252 7.366 -3.073 -4.757 1.00 0.00 O ATOM 679 CB ALA A 252 10.090 -1.836 -6.078 1.00 0.00 C ATOM 0 H ALA A 252 9.369 -3.915 -3.969 1.00 0.00 H new ATOM 0 HA ALA A 252 9.763 -1.066 -4.109 1.00 0.00 H new ATOM 0 HB1 ALA A 252 9.689 -0.955 -6.579 1.00 0.00 H new ATOM 0 HB2 ALA A 252 11.173 -1.746 -5.998 1.00 0.00 H new ATOM 0 HB3 ALA A 252 9.842 -2.727 -6.655 1.00 0.00 H new ATOM 685 N ILE A 253 7.343 -0.824 -4.857 1.00 0.00 N ATOM 686 CA ILE A 253 5.891 -0.734 -4.944 1.00 0.00 C ATOM 687 C ILE A 253 5.464 0.141 -6.117 1.00 0.00 C ATOM 688 O ILE A 253 5.686 1.351 -6.114 1.00 0.00 O ATOM 689 CB ILE A 253 5.283 -0.167 -3.647 1.00 0.00 C ATOM 690 CG1 ILE A 253 5.687 -1.029 -2.449 1.00 0.00 C ATOM 691 CG2 ILE A 253 3.769 -0.088 -3.762 1.00 0.00 C ATOM 692 CD1 ILE A 253 4.982 -0.649 -1.166 1.00 0.00 C ATOM 0 H ILE A 253 7.823 0.076 -4.868 1.00 0.00 H new ATOM 0 HA ILE A 253 5.521 -1.748 -5.096 1.00 0.00 H new ATOM 0 HB ILE A 253 5.669 0.841 -3.493 1.00 0.00 H new ATOM 0 HG12 ILE A 253 5.474 -2.074 -2.675 1.00 0.00 H new ATOM 0 HG13 ILE A 253 6.764 -0.948 -2.300 1.00 0.00 H new ATOM 0 HG21 ILE A 253 3.354 0.314 -2.838 1.00 0.00 H new ATOM 0 HG22 ILE A 253 3.501 0.563 -4.594 1.00 0.00 H new ATOM 0 HG23 ILE A 253 3.365 -1.085 -3.937 1.00 0.00 H new ATOM 0 HD11 ILE A 253 5.317 -1.302 -0.360 1.00 0.00 H new ATOM 0 HD12 ILE A 253 5.215 0.386 -0.916 1.00 0.00 H new ATOM 0 HD13 ILE A 253 3.905 -0.757 -1.297 1.00 0.00 H new ATOM 704 N GLU A 254 4.848 -0.480 -7.118 1.00 0.00 N ATOM 705 CA GLU A 254 4.388 0.243 -8.298 1.00 0.00 C ATOM 706 C GLU A 254 2.864 0.263 -8.364 1.00 0.00 C ATOM 707 O GLU A 254 2.196 -0.626 -7.834 1.00 0.00 O ATOM 708 CB GLU A 254 4.957 -0.393 -9.567 1.00 0.00 C ATOM 709 CG GLU A 254 6.419 -0.060 -9.813 1.00 0.00 C ATOM 710 CD GLU A 254 6.615 1.344 -10.351 1.00 0.00 C ATOM 711 OE1 GLU A 254 6.259 2.306 -9.640 1.00 0.00 O ATOM 712 OE2 GLU A 254 7.124 1.480 -11.483 1.00 0.00 O ATOM 0 H GLU A 254 4.656 -1.482 -7.135 1.00 0.00 H new ATOM 0 HA GLU A 254 4.744 1.271 -8.225 1.00 0.00 H new ATOM 0 HB2 GLU A 254 4.846 -1.475 -9.502 1.00 0.00 H new ATOM 0 HB3 GLU A 254 4.369 -0.063 -10.423 1.00 0.00 H new ATOM 0 HG2 GLU A 254 6.974 -0.169 -8.881 1.00 0.00 H new ATOM 0 HG3 GLU A 254 6.837 -0.777 -10.519 1.00 0.00 H new ATOM 719 N LEU A 255 2.319 1.282 -9.019 1.00 0.00 N ATOM 720 CA LEU A 255 0.874 1.420 -9.156 1.00 0.00 C ATOM 721 C LEU A 255 0.499 1.855 -10.569 1.00 0.00 C ATOM 722 O LEU A 255 0.748 2.993 -10.966 1.00 0.00 O ATOM 723 CB LEU A 255 0.339 2.431 -8.140 1.00 0.00 C ATOM 724 CG LEU A 255 -1.006 3.075 -8.479 1.00 0.00 C ATOM 725 CD1 LEU A 255 -2.113 2.033 -8.476 1.00 0.00 C ATOM 726 CD2 LEU A 255 -1.323 4.195 -7.498 1.00 0.00 C ATOM 0 H LEU A 255 2.857 2.026 -9.464 1.00 0.00 H new ATOM 0 HA LEU A 255 0.422 0.447 -8.964 1.00 0.00 H new ATOM 0 HB2 LEU A 255 0.248 1.933 -7.175 1.00 0.00 H new ATOM 0 HB3 LEU A 255 1.079 3.223 -8.021 1.00 0.00 H new ATOM 0 HG LEU A 255 -0.940 3.502 -9.480 1.00 0.00 H new ATOM 0 HD11 LEU A 255 -3.062 2.510 -8.719 1.00 0.00 H new ATOM 0 HD12 LEU A 255 -1.892 1.265 -9.218 1.00 0.00 H new ATOM 0 HD13 LEU A 255 -2.179 1.575 -7.489 1.00 0.00 H new ATOM 0 HD21 LEU A 255 -2.284 4.642 -7.754 1.00 0.00 H new ATOM 0 HD22 LEU A 255 -1.369 3.791 -6.487 1.00 0.00 H new ATOM 0 HD23 LEU A 255 -0.544 4.955 -7.550 1.00 0.00 H new ATOM 738 N ASP A 256 -0.102 0.941 -11.324 1.00 0.00 N ATOM 739 CA ASP A 256 -0.515 1.231 -12.692 1.00 0.00 C ATOM 740 C ASP A 256 -1.783 2.078 -12.709 1.00 0.00 C ATOM 741 O ASP A 256 -2.894 1.549 -12.683 1.00 0.00 O ATOM 742 CB ASP A 256 -0.744 -0.069 -13.465 1.00 0.00 C ATOM 743 CG ASP A 256 0.513 -0.562 -14.154 1.00 0.00 C ATOM 744 OD1 ASP A 256 1.536 -0.746 -13.462 1.00 0.00 O ATOM 745 OD2 ASP A 256 0.473 -0.764 -15.386 1.00 0.00 O ATOM 0 H ASP A 256 -0.314 -0.007 -11.011 1.00 0.00 H new ATOM 0 HA ASP A 256 0.283 1.795 -13.174 1.00 0.00 H new ATOM 0 HB2 ASP A 256 -1.104 -0.837 -12.780 1.00 0.00 H new ATOM 0 HB3 ASP A 256 -1.525 0.087 -14.209 1.00 0.00 H new ATOM 750 N GLU A 257 -1.609 3.395 -12.753 1.00 0.00 N ATOM 751 CA GLU A 257 -2.741 4.315 -12.772 1.00 0.00 C ATOM 752 C GLU A 257 -3.584 4.114 -14.028 1.00 0.00 C ATOM 753 O GLU A 257 -4.777 4.418 -14.042 1.00 0.00 O ATOM 754 CB GLU A 257 -2.251 5.763 -12.698 1.00 0.00 C ATOM 755 CG GLU A 257 -2.005 6.251 -11.281 1.00 0.00 C ATOM 756 CD GLU A 257 -3.275 6.717 -10.596 1.00 0.00 C ATOM 757 OE1 GLU A 257 -4.283 5.981 -10.648 1.00 0.00 O ATOM 758 OE2 GLU A 257 -3.261 7.818 -10.006 1.00 0.00 O ATOM 0 H GLU A 257 -0.696 3.849 -12.776 1.00 0.00 H new ATOM 0 HA GLU A 257 -3.362 4.105 -11.901 1.00 0.00 H new ATOM 0 HB2 GLU A 257 -1.328 5.855 -13.270 1.00 0.00 H new ATOM 0 HB3 GLU A 257 -2.987 6.411 -13.174 1.00 0.00 H new ATOM 0 HG2 GLU A 257 -1.555 5.448 -10.697 1.00 0.00 H new ATOM 0 HG3 GLU A 257 -1.287 7.070 -11.302 1.00 0.00 H new ATOM 765 N ASP A 258 -2.955 3.602 -15.080 1.00 0.00 N ATOM 766 CA ASP A 258 -3.646 3.360 -16.341 1.00 0.00 C ATOM 767 C ASP A 258 -5.010 2.721 -16.099 1.00 0.00 C ATOM 768 O ASP A 258 -6.024 3.173 -16.632 1.00 0.00 O ATOM 769 CB ASP A 258 -2.801 2.462 -17.246 1.00 0.00 C ATOM 770 CG ASP A 258 -3.038 2.737 -18.718 1.00 0.00 C ATOM 771 OD1 ASP A 258 -2.904 3.908 -19.131 1.00 0.00 O ATOM 772 OD2 ASP A 258 -3.357 1.782 -19.457 1.00 0.00 O ATOM 0 H ASP A 258 -1.968 3.346 -15.085 1.00 0.00 H new ATOM 0 HA ASP A 258 -3.797 4.320 -16.834 1.00 0.00 H new ATOM 0 HB2 ASP A 258 -1.746 2.610 -17.017 1.00 0.00 H new ATOM 0 HB3 ASP A 258 -3.030 1.418 -17.033 1.00 0.00 H new ATOM 777 N THR A 259 -5.028 1.665 -15.292 1.00 0.00 N ATOM 778 CA THR A 259 -6.267 0.962 -14.981 1.00 0.00 C ATOM 779 C THR A 259 -6.592 1.053 -13.495 1.00 0.00 C ATOM 780 O THR A 259 -7.758 1.027 -13.102 1.00 0.00 O ATOM 781 CB THR A 259 -6.188 -0.522 -15.388 1.00 0.00 C ATOM 782 OG1 THR A 259 -5.563 -1.282 -14.347 1.00 0.00 O ATOM 783 CG2 THR A 259 -5.406 -0.687 -16.682 1.00 0.00 C ATOM 0 H THR A 259 -4.199 1.278 -14.842 1.00 0.00 H new ATOM 0 HA THR A 259 -7.058 1.447 -15.553 1.00 0.00 H new ATOM 0 HB THR A 259 -7.203 -0.888 -15.546 1.00 0.00 H new ATOM 0 HG1 THR A 259 -5.518 -2.224 -14.612 1.00 0.00 H new ATOM 0 HG21 THR A 259 -5.364 -1.743 -16.949 1.00 0.00 H new ATOM 0 HG22 THR A 259 -5.899 -0.130 -17.479 1.00 0.00 H new ATOM 0 HG23 THR A 259 -4.394 -0.306 -16.546 1.00 0.00 H new ATOM 791 N GLY A 260 -5.554 1.160 -12.671 1.00 0.00 N ATOM 792 CA GLY A 260 -5.752 1.255 -11.236 1.00 0.00 C ATOM 793 C GLY A 260 -5.347 -0.013 -10.511 1.00 0.00 C ATOM 794 O GLY A 260 -6.057 -0.484 -9.622 1.00 0.00 O ATOM 0 H GLY A 260 -4.580 1.183 -12.971 1.00 0.00 H new ATOM 0 HA2 GLY A 260 -5.174 2.093 -10.847 1.00 0.00 H new ATOM 0 HA3 GLY A 260 -6.801 1.469 -11.030 1.00 0.00 H new ATOM 798 N THR A 261 -4.201 -0.571 -10.891 1.00 0.00 N ATOM 799 CA THR A 261 -3.704 -1.794 -10.273 1.00 0.00 C ATOM 800 C THR A 261 -2.460 -1.520 -9.436 1.00 0.00 C ATOM 801 O THR A 261 -1.539 -0.834 -9.880 1.00 0.00 O ATOM 802 CB THR A 261 -3.373 -2.863 -11.331 1.00 0.00 C ATOM 803 OG1 THR A 261 -4.581 -3.429 -11.851 1.00 0.00 O ATOM 804 CG2 THR A 261 -2.506 -3.963 -10.736 1.00 0.00 C ATOM 0 H THR A 261 -3.600 -0.195 -11.624 1.00 0.00 H new ATOM 0 HA THR A 261 -4.498 -2.168 -9.627 1.00 0.00 H new ATOM 0 HB THR A 261 -2.820 -2.384 -12.139 1.00 0.00 H new ATOM 0 HG1 THR A 261 -4.361 -4.106 -12.524 1.00 0.00 H new ATOM 0 HG21 THR A 261 -2.285 -4.707 -11.502 1.00 0.00 H new ATOM 0 HG22 THR A 261 -1.574 -3.533 -10.368 1.00 0.00 H new ATOM 0 HG23 THR A 261 -3.037 -4.438 -9.911 1.00 0.00 H new ATOM 812 N PHE A 262 -2.438 -2.061 -8.222 1.00 0.00 N ATOM 813 CA PHE A 262 -1.306 -1.875 -7.323 1.00 0.00 C ATOM 814 C PHE A 262 -0.386 -3.091 -7.348 1.00 0.00 C ATOM 815 O PHE A 262 -0.769 -4.182 -6.925 1.00 0.00 O ATOM 816 CB PHE A 262 -1.798 -1.623 -5.896 1.00 0.00 C ATOM 817 CG PHE A 262 -2.018 -0.170 -5.585 1.00 0.00 C ATOM 818 CD1 PHE A 262 -0.944 0.695 -5.453 1.00 0.00 C ATOM 819 CD2 PHE A 262 -3.300 0.332 -5.427 1.00 0.00 C ATOM 820 CE1 PHE A 262 -1.144 2.032 -5.167 1.00 0.00 C ATOM 821 CE2 PHE A 262 -3.506 1.668 -5.141 1.00 0.00 C ATOM 822 CZ PHE A 262 -2.427 2.520 -5.012 1.00 0.00 C ATOM 0 H PHE A 262 -3.192 -2.632 -7.839 1.00 0.00 H new ATOM 0 HA PHE A 262 -0.741 -1.007 -7.664 1.00 0.00 H new ATOM 0 HB2 PHE A 262 -2.731 -2.165 -5.741 1.00 0.00 H new ATOM 0 HB3 PHE A 262 -1.072 -2.031 -5.193 1.00 0.00 H new ATOM 0 HD1 PHE A 262 0.061 0.320 -5.575 1.00 0.00 H new ATOM 0 HD2 PHE A 262 -4.148 -0.329 -5.529 1.00 0.00 H new ATOM 0 HE1 PHE A 262 -0.298 2.695 -5.065 1.00 0.00 H new ATOM 0 HE2 PHE A 262 -4.510 2.046 -5.018 1.00 0.00 H new ATOM 0 HZ PHE A 262 -2.586 3.565 -4.791 1.00 0.00 H new ATOM 832 N ARG A 263 0.830 -2.895 -7.847 1.00 0.00 N ATOM 833 CA ARG A 263 1.806 -3.975 -7.930 1.00 0.00 C ATOM 834 C ARG A 263 2.860 -3.841 -6.834 1.00 0.00 C ATOM 835 O ARG A 263 3.646 -2.894 -6.828 1.00 0.00 O ATOM 836 CB ARG A 263 2.480 -3.979 -9.303 1.00 0.00 C ATOM 837 CG ARG A 263 1.626 -4.596 -10.399 1.00 0.00 C ATOM 838 CD ARG A 263 2.153 -4.243 -11.781 1.00 0.00 C ATOM 839 NE ARG A 263 1.318 -4.797 -12.843 1.00 0.00 N ATOM 840 CZ ARG A 263 1.255 -6.093 -13.128 1.00 0.00 C ATOM 841 NH1 ARG A 263 1.973 -6.963 -12.432 1.00 0.00 N ATOM 842 NH2 ARG A 263 0.471 -6.520 -14.110 1.00 0.00 N ATOM 0 H ARG A 263 1.163 -1.998 -8.200 1.00 0.00 H new ATOM 0 HA ARG A 263 1.278 -4.918 -7.790 1.00 0.00 H new ATOM 0 HB2 ARG A 263 2.727 -2.954 -9.580 1.00 0.00 H new ATOM 0 HB3 ARG A 263 3.420 -4.526 -9.235 1.00 0.00 H new ATOM 0 HG2 ARG A 263 1.608 -5.679 -10.281 1.00 0.00 H new ATOM 0 HG3 ARG A 263 0.598 -4.247 -10.300 1.00 0.00 H new ATOM 0 HD2 ARG A 263 2.200 -3.159 -11.885 1.00 0.00 H new ATOM 0 HD3 ARG A 263 3.171 -4.618 -11.887 1.00 0.00 H new ATOM 0 HE ARG A 263 0.752 -4.154 -13.396 1.00 0.00 H new ATOM 0 HH11 ARG A 263 2.575 -6.638 -11.676 1.00 0.00 H new ATOM 0 HH12 ARG A 263 1.923 -7.958 -12.653 1.00 0.00 H new ATOM 0 HH21 ARG A 263 -0.084 -5.853 -14.646 1.00 0.00 H new ATOM 0 HH22 ARG A 263 0.423 -7.515 -14.328 1.00 0.00 H new ATOM 856 N ILE A 264 2.869 -4.796 -5.910 1.00 0.00 N ATOM 857 CA ILE A 264 3.826 -4.784 -4.810 1.00 0.00 C ATOM 858 C ILE A 264 4.865 -5.889 -4.974 1.00 0.00 C ATOM 859 O ILE A 264 4.531 -7.023 -5.318 1.00 0.00 O ATOM 860 CB ILE A 264 3.124 -4.953 -3.450 1.00 0.00 C ATOM 861 CG1 ILE A 264 1.843 -4.117 -3.406 1.00 0.00 C ATOM 862 CG2 ILE A 264 4.060 -4.558 -2.318 1.00 0.00 C ATOM 863 CD1 ILE A 264 1.063 -4.275 -2.120 1.00 0.00 C ATOM 0 H ILE A 264 2.225 -5.587 -5.901 1.00 0.00 H new ATOM 0 HA ILE A 264 4.323 -3.814 -4.835 1.00 0.00 H new ATOM 0 HB ILE A 264 2.856 -6.002 -3.324 1.00 0.00 H new ATOM 0 HG12 ILE A 264 2.100 -3.066 -3.539 1.00 0.00 H new ATOM 0 HG13 ILE A 264 1.206 -4.398 -4.245 1.00 0.00 H new ATOM 0 HG21 ILE A 264 3.549 -4.683 -1.363 1.00 0.00 H new ATOM 0 HG22 ILE A 264 4.947 -5.192 -2.341 1.00 0.00 H new ATOM 0 HG23 ILE A 264 4.356 -3.516 -2.437 1.00 0.00 H new ATOM 0 HD11 ILE A 264 0.168 -3.654 -2.159 1.00 0.00 H new ATOM 0 HD12 ILE A 264 0.775 -5.319 -1.995 1.00 0.00 H new ATOM 0 HD13 ILE A 264 1.683 -3.966 -1.278 1.00 0.00 H new ATOM 875 N TYR A 265 6.125 -5.550 -4.724 1.00 0.00 N ATOM 876 CA TYR A 265 7.213 -6.513 -4.844 1.00 0.00 C ATOM 877 C TYR A 265 7.945 -6.676 -3.516 1.00 0.00 C ATOM 878 O TYR A 265 8.439 -5.706 -2.943 1.00 0.00 O ATOM 879 CB TYR A 265 8.196 -6.070 -5.930 1.00 0.00 C ATOM 880 CG TYR A 265 7.564 -5.924 -7.296 1.00 0.00 C ATOM 881 CD1 TYR A 265 7.379 -7.028 -8.119 1.00 0.00 C ATOM 882 CD2 TYR A 265 7.152 -4.682 -7.763 1.00 0.00 C ATOM 883 CE1 TYR A 265 6.803 -6.899 -9.368 1.00 0.00 C ATOM 884 CE2 TYR A 265 6.573 -4.544 -9.010 1.00 0.00 C ATOM 885 CZ TYR A 265 6.402 -5.655 -9.809 1.00 0.00 C ATOM 886 OH TYR A 265 5.826 -5.523 -11.051 1.00 0.00 O ATOM 0 H TYR A 265 6.418 -4.616 -4.437 1.00 0.00 H new ATOM 0 HA TYR A 265 6.784 -7.476 -5.122 1.00 0.00 H new ATOM 0 HB2 TYR A 265 8.639 -5.117 -5.640 1.00 0.00 H new ATOM 0 HB3 TYR A 265 9.008 -6.794 -5.990 1.00 0.00 H new ATOM 0 HD1 TYR A 265 7.691 -8.004 -7.776 1.00 0.00 H new ATOM 0 HD2 TYR A 265 7.287 -3.810 -7.141 1.00 0.00 H new ATOM 0 HE1 TYR A 265 6.667 -7.767 -9.996 1.00 0.00 H new ATOM 0 HE2 TYR A 265 6.256 -3.572 -9.357 1.00 0.00 H new ATOM 0 HH TYR A 265 5.600 -4.583 -11.209 1.00 0.00 H new ATOM 896 N GLY A 266 8.010 -7.913 -3.032 1.00 0.00 N ATOM 897 CA GLY A 266 8.683 -8.183 -1.775 1.00 0.00 C ATOM 898 C GLY A 266 9.437 -9.498 -1.791 1.00 0.00 C ATOM 899 O GLY A 266 9.057 -10.429 -2.501 1.00 0.00 O ATOM 0 H GLY A 266 7.609 -8.732 -3.488 1.00 0.00 H new ATOM 0 HA2 GLY A 266 9.378 -7.372 -1.557 1.00 0.00 H new ATOM 0 HA3 GLY A 266 7.949 -8.199 -0.970 1.00 0.00 H new ATOM 903 N GLU A 267 10.508 -9.575 -1.008 1.00 0.00 N ATOM 904 CA GLU A 267 11.317 -10.786 -0.938 1.00 0.00 C ATOM 905 C GLU A 267 10.541 -11.922 -0.278 1.00 0.00 C ATOM 906 O GLU A 267 10.791 -13.097 -0.546 1.00 0.00 O ATOM 907 CB GLU A 267 12.609 -10.519 -0.163 1.00 0.00 C ATOM 908 CG GLU A 267 13.605 -9.656 -0.919 1.00 0.00 C ATOM 909 CD GLU A 267 15.003 -9.732 -0.336 1.00 0.00 C ATOM 910 OE1 GLU A 267 15.136 -9.626 0.901 1.00 0.00 O ATOM 911 OE2 GLU A 267 15.963 -9.896 -1.117 1.00 0.00 O ATOM 0 H GLU A 267 10.836 -8.814 -0.413 1.00 0.00 H new ATOM 0 HA GLU A 267 11.567 -11.084 -1.956 1.00 0.00 H new ATOM 0 HB2 GLU A 267 12.363 -10.033 0.781 1.00 0.00 H new ATOM 0 HB3 GLU A 267 13.079 -11.471 0.082 1.00 0.00 H new ATOM 0 HG2 GLU A 267 13.633 -9.969 -1.963 1.00 0.00 H new ATOM 0 HG3 GLU A 267 13.266 -8.620 -0.906 1.00 0.00 H new ATOM 918 N SER A 268 9.598 -11.562 0.587 1.00 0.00 N ATOM 919 CA SER A 268 8.787 -12.550 1.290 1.00 0.00 C ATOM 920 C SER A 268 7.326 -12.115 1.343 1.00 0.00 C ATOM 921 O SER A 268 7.020 -10.971 1.677 1.00 0.00 O ATOM 922 CB SER A 268 9.320 -12.763 2.708 1.00 0.00 C ATOM 923 OG SER A 268 10.471 -13.590 2.701 1.00 0.00 O ATOM 0 H SER A 268 9.377 -10.593 0.818 1.00 0.00 H new ATOM 0 HA SER A 268 8.848 -13.490 0.742 1.00 0.00 H new ATOM 0 HB2 SER A 268 9.563 -11.800 3.157 1.00 0.00 H new ATOM 0 HB3 SER A 268 8.546 -13.217 3.327 1.00 0.00 H new ATOM 0 HG SER A 268 10.793 -13.710 3.619 1.00 0.00 H new ATOM 929 N ALA A 269 6.428 -13.037 1.012 1.00 0.00 N ATOM 930 CA ALA A 269 4.999 -12.750 1.024 1.00 0.00 C ATOM 931 C ALA A 269 4.616 -11.916 2.242 1.00 0.00 C ATOM 932 O ALA A 269 3.733 -11.062 2.168 1.00 0.00 O ATOM 933 CB ALA A 269 4.201 -14.045 0.997 1.00 0.00 C ATOM 0 H ALA A 269 6.665 -13.989 0.732 1.00 0.00 H new ATOM 0 HA ALA A 269 4.762 -12.171 0.131 1.00 0.00 H new ATOM 0 HB1 ALA A 269 3.135 -13.816 1.006 1.00 0.00 H new ATOM 0 HB2 ALA A 269 4.444 -14.603 0.093 1.00 0.00 H new ATOM 0 HB3 ALA A 269 4.451 -14.645 1.872 1.00 0.00 H new ATOM 939 N ASP A 270 5.285 -12.171 3.361 1.00 0.00 N ATOM 940 CA ASP A 270 5.016 -11.443 4.595 1.00 0.00 C ATOM 941 C ASP A 270 5.152 -9.939 4.380 1.00 0.00 C ATOM 942 O ASP A 270 4.295 -9.162 4.799 1.00 0.00 O ATOM 943 CB ASP A 270 5.968 -11.901 5.701 1.00 0.00 C ATOM 944 CG ASP A 270 5.602 -13.266 6.251 1.00 0.00 C ATOM 945 OD1 ASP A 270 4.402 -13.504 6.500 1.00 0.00 O ATOM 946 OD2 ASP A 270 6.517 -14.096 6.433 1.00 0.00 O ATOM 0 H ASP A 270 6.018 -12.876 3.439 1.00 0.00 H new ATOM 0 HA ASP A 270 3.991 -11.657 4.897 1.00 0.00 H new ATOM 0 HB2 ASP A 270 6.986 -11.930 5.311 1.00 0.00 H new ATOM 0 HB3 ASP A 270 5.958 -11.171 6.511 1.00 0.00 H new ATOM 951 N ALA A 271 6.236 -9.536 3.726 1.00 0.00 N ATOM 952 CA ALA A 271 6.484 -8.126 3.455 1.00 0.00 C ATOM 953 C ALA A 271 5.352 -7.516 2.635 1.00 0.00 C ATOM 954 O ALA A 271 4.603 -6.671 3.124 1.00 0.00 O ATOM 955 CB ALA A 271 7.813 -7.953 2.733 1.00 0.00 C ATOM 0 H ALA A 271 6.957 -10.166 3.374 1.00 0.00 H new ATOM 0 HA ALA A 271 6.530 -7.601 4.409 1.00 0.00 H new ATOM 0 HB1 ALA A 271 7.985 -6.895 2.537 1.00 0.00 H new ATOM 0 HB2 ALA A 271 8.619 -8.343 3.355 1.00 0.00 H new ATOM 0 HB3 ALA A 271 7.788 -8.498 1.789 1.00 0.00 H new ATOM 961 N VAL A 272 5.233 -7.951 1.384 1.00 0.00 N ATOM 962 CA VAL A 272 4.191 -7.449 0.496 1.00 0.00 C ATOM 963 C VAL A 272 2.818 -7.542 1.152 1.00 0.00 C ATOM 964 O VAL A 272 1.954 -6.693 0.934 1.00 0.00 O ATOM 965 CB VAL A 272 4.166 -8.224 -0.834 1.00 0.00 C ATOM 966 CG1 VAL A 272 5.221 -7.682 -1.788 1.00 0.00 C ATOM 967 CG2 VAL A 272 4.372 -9.711 -0.588 1.00 0.00 C ATOM 0 H VAL A 272 5.845 -8.650 0.963 1.00 0.00 H new ATOM 0 HA VAL A 272 4.424 -6.403 0.294 1.00 0.00 H new ATOM 0 HB VAL A 272 3.188 -8.087 -1.296 1.00 0.00 H new ATOM 0 HG11 VAL A 272 5.188 -8.242 -2.723 1.00 0.00 H new ATOM 0 HG12 VAL A 272 5.023 -6.629 -1.989 1.00 0.00 H new ATOM 0 HG13 VAL A 272 6.208 -7.786 -1.337 1.00 0.00 H new ATOM 0 HG21 VAL A 272 4.351 -10.243 -1.539 1.00 0.00 H new ATOM 0 HG22 VAL A 272 5.336 -9.870 -0.104 1.00 0.00 H new ATOM 0 HG23 VAL A 272 3.577 -10.087 0.056 1.00 0.00 H new ATOM 977 N LYS A 273 2.623 -8.581 1.958 1.00 0.00 N ATOM 978 CA LYS A 273 1.355 -8.786 2.648 1.00 0.00 C ATOM 979 C LYS A 273 1.095 -7.668 3.653 1.00 0.00 C ATOM 980 O LYS A 273 0.016 -7.075 3.673 1.00 0.00 O ATOM 981 CB LYS A 273 1.353 -10.139 3.363 1.00 0.00 C ATOM 982 CG LYS A 273 0.975 -11.302 2.463 1.00 0.00 C ATOM 983 CD LYS A 273 1.436 -12.629 3.042 1.00 0.00 C ATOM 984 CE LYS A 273 0.471 -13.140 4.101 1.00 0.00 C ATOM 985 NZ LYS A 273 0.490 -12.291 5.325 1.00 0.00 N ATOM 0 H LYS A 273 3.327 -9.294 2.149 1.00 0.00 H new ATOM 0 HA LYS A 273 0.559 -8.774 1.903 1.00 0.00 H new ATOM 0 HB2 LYS A 273 2.343 -10.321 3.781 1.00 0.00 H new ATOM 0 HB3 LYS A 273 0.656 -10.097 4.200 1.00 0.00 H new ATOM 0 HG2 LYS A 273 -0.106 -11.320 2.325 1.00 0.00 H new ATOM 0 HG3 LYS A 273 1.419 -11.160 1.478 1.00 0.00 H new ATOM 0 HD2 LYS A 273 1.524 -13.365 2.243 1.00 0.00 H new ATOM 0 HD3 LYS A 273 2.428 -12.512 3.478 1.00 0.00 H new ATOM 0 HE2 LYS A 273 -0.539 -13.164 3.691 1.00 0.00 H new ATOM 0 HE3 LYS A 273 0.732 -14.165 4.366 1.00 0.00 H new ATOM 0 HZ1 LYS A 273 0.366 -12.891 6.166 1.00 0.00 H new ATOM 0 HZ2 LYS A 273 1.400 -11.792 5.387 1.00 0.00 H new ATOM 0 HZ3 LYS A 273 -0.283 -11.597 5.278 1.00 0.00 H new ATOM 999 N LYS A 274 2.091 -7.384 4.485 1.00 0.00 N ATOM 1000 CA LYS A 274 1.973 -6.335 5.491 1.00 0.00 C ATOM 1001 C LYS A 274 1.853 -4.963 4.835 1.00 0.00 C ATOM 1002 O LYS A 274 1.131 -4.093 5.321 1.00 0.00 O ATOM 1003 CB LYS A 274 3.182 -6.360 6.429 1.00 0.00 C ATOM 1004 CG LYS A 274 2.884 -5.826 7.819 1.00 0.00 C ATOM 1005 CD LYS A 274 4.135 -5.280 8.486 1.00 0.00 C ATOM 1006 CE LYS A 274 3.791 -4.303 9.601 1.00 0.00 C ATOM 1007 NZ LYS A 274 3.008 -3.141 9.098 1.00 0.00 N ATOM 0 H LYS A 274 2.990 -7.866 4.483 1.00 0.00 H new ATOM 0 HA LYS A 274 1.069 -6.522 6.070 1.00 0.00 H new ATOM 0 HB2 LYS A 274 3.545 -7.384 6.513 1.00 0.00 H new ATOM 0 HB3 LYS A 274 3.986 -5.771 5.987 1.00 0.00 H new ATOM 0 HG2 LYS A 274 2.132 -5.039 7.754 1.00 0.00 H new ATOM 0 HG3 LYS A 274 2.461 -6.621 8.433 1.00 0.00 H new ATOM 0 HD2 LYS A 274 4.722 -6.104 8.891 1.00 0.00 H new ATOM 0 HD3 LYS A 274 4.757 -4.781 7.743 1.00 0.00 H new ATOM 0 HE2 LYS A 274 3.220 -4.819 10.373 1.00 0.00 H new ATOM 0 HE3 LYS A 274 4.709 -3.947 10.068 1.00 0.00 H new ATOM 0 HZ1 LYS A 274 3.149 -2.328 9.731 1.00 0.00 H new ATOM 0 HZ2 LYS A 274 3.329 -2.894 8.140 1.00 0.00 H new ATOM 0 HZ3 LYS A 274 1.998 -3.388 9.071 1.00 0.00 H new ATOM 1021 N ALA A 275 2.564 -4.777 3.728 1.00 0.00 N ATOM 1022 CA ALA A 275 2.534 -3.512 3.004 1.00 0.00 C ATOM 1023 C ALA A 275 1.239 -3.362 2.215 1.00 0.00 C ATOM 1024 O ALA A 275 0.748 -2.251 2.014 1.00 0.00 O ATOM 1025 CB ALA A 275 3.735 -3.407 2.076 1.00 0.00 C ATOM 0 H ALA A 275 3.168 -5.486 3.313 1.00 0.00 H new ATOM 0 HA ALA A 275 2.580 -2.703 3.733 1.00 0.00 H new ATOM 0 HB1 ALA A 275 3.700 -2.458 1.542 1.00 0.00 H new ATOM 0 HB2 ALA A 275 4.653 -3.460 2.661 1.00 0.00 H new ATOM 0 HB3 ALA A 275 3.714 -4.228 1.359 1.00 0.00 H new ATOM 1031 N ARG A 276 0.689 -4.487 1.769 1.00 0.00 N ATOM 1032 CA ARG A 276 -0.549 -4.480 0.999 1.00 0.00 C ATOM 1033 C ARG A 276 -1.690 -3.871 1.810 1.00 0.00 C ATOM 1034 O ARG A 276 -2.427 -3.017 1.320 1.00 0.00 O ATOM 1035 CB ARG A 276 -0.917 -5.901 0.570 1.00 0.00 C ATOM 1036 CG ARG A 276 -2.281 -6.005 -0.091 1.00 0.00 C ATOM 1037 CD ARG A 276 -2.521 -7.394 -0.661 1.00 0.00 C ATOM 1038 NE ARG A 276 -3.620 -7.410 -1.622 1.00 0.00 N ATOM 1039 CZ ARG A 276 -3.990 -8.492 -2.298 1.00 0.00 C ATOM 1040 NH1 ARG A 276 -3.352 -9.640 -2.118 1.00 0.00 N ATOM 1041 NH2 ARG A 276 -5.000 -8.427 -3.156 1.00 0.00 N ATOM 0 H ARG A 276 1.081 -5.415 1.928 1.00 0.00 H new ATOM 0 HA ARG A 276 -0.390 -3.869 0.110 1.00 0.00 H new ATOM 0 HB2 ARG A 276 -0.159 -6.270 -0.121 1.00 0.00 H new ATOM 0 HB3 ARG A 276 -0.896 -6.552 1.444 1.00 0.00 H new ATOM 0 HG2 ARG A 276 -3.058 -5.770 0.637 1.00 0.00 H new ATOM 0 HG3 ARG A 276 -2.357 -5.266 -0.888 1.00 0.00 H new ATOM 0 HD2 ARG A 276 -1.611 -7.749 -1.145 1.00 0.00 H new ATOM 0 HD3 ARG A 276 -2.740 -8.086 0.152 1.00 0.00 H new ATOM 0 HE ARG A 276 -4.132 -6.543 -1.783 1.00 0.00 H new ATOM 0 HH11 ARG A 276 -2.575 -9.694 -1.459 1.00 0.00 H new ATOM 0 HH12 ARG A 276 -3.638 -10.469 -2.638 1.00 0.00 H new ATOM 0 HH21 ARG A 276 -5.493 -7.545 -3.297 1.00 0.00 H new ATOM 0 HH22 ARG A 276 -5.283 -9.259 -3.674 1.00 0.00 H new ATOM 1055 N GLY A 277 -1.828 -4.318 3.055 1.00 0.00 N ATOM 1056 CA GLY A 277 -2.881 -3.807 3.913 1.00 0.00 C ATOM 1057 C GLY A 277 -2.992 -2.296 3.858 1.00 0.00 C ATOM 1058 O GLY A 277 -4.066 -1.737 4.078 1.00 0.00 O ATOM 0 H GLY A 277 -1.230 -5.024 3.484 1.00 0.00 H new ATOM 0 HA2 GLY A 277 -3.833 -4.249 3.618 1.00 0.00 H new ATOM 0 HA3 GLY A 277 -2.691 -4.117 4.940 1.00 0.00 H new ATOM 1062 N PHE A 278 -1.878 -1.633 3.566 1.00 0.00 N ATOM 1063 CA PHE A 278 -1.854 -0.177 3.486 1.00 0.00 C ATOM 1064 C PHE A 278 -2.429 0.304 2.157 1.00 0.00 C ATOM 1065 O PHE A 278 -3.181 1.278 2.110 1.00 0.00 O ATOM 1066 CB PHE A 278 -0.423 0.340 3.653 1.00 0.00 C ATOM 1067 CG PHE A 278 0.111 0.186 5.048 1.00 0.00 C ATOM 1068 CD1 PHE A 278 -0.616 0.640 6.137 1.00 0.00 C ATOM 1069 CD2 PHE A 278 1.340 -0.413 5.271 1.00 0.00 C ATOM 1070 CE1 PHE A 278 -0.127 0.500 7.422 1.00 0.00 C ATOM 1071 CE2 PHE A 278 1.835 -0.556 6.554 1.00 0.00 C ATOM 1072 CZ PHE A 278 1.100 -0.100 7.631 1.00 0.00 C ATOM 0 H PHE A 278 -0.980 -2.081 3.381 1.00 0.00 H new ATOM 0 HA PHE A 278 -2.472 0.217 4.293 1.00 0.00 H new ATOM 0 HB2 PHE A 278 0.230 -0.193 2.962 1.00 0.00 H new ATOM 0 HB3 PHE A 278 -0.391 1.393 3.374 1.00 0.00 H new ATOM 0 HD1 PHE A 278 -1.576 1.109 5.980 1.00 0.00 H new ATOM 0 HD2 PHE A 278 1.918 -0.773 4.433 1.00 0.00 H new ATOM 0 HE1 PHE A 278 -0.703 0.859 8.262 1.00 0.00 H new ATOM 0 HE2 PHE A 278 2.795 -1.024 6.714 1.00 0.00 H new ATOM 0 HZ PHE A 278 1.484 -0.212 8.634 1.00 0.00 H new ATOM 1082 N LEU A 279 -2.070 -0.385 1.080 1.00 0.00 N ATOM 1083 CA LEU A 279 -2.549 -0.029 -0.251 1.00 0.00 C ATOM 1084 C LEU A 279 -3.961 -0.558 -0.481 1.00 0.00 C ATOM 1085 O LEU A 279 -4.638 -0.156 -1.427 1.00 0.00 O ATOM 1086 CB LEU A 279 -1.604 -0.582 -1.320 1.00 0.00 C ATOM 1087 CG LEU A 279 -0.210 0.043 -1.371 1.00 0.00 C ATOM 1088 CD1 LEU A 279 0.706 -0.769 -2.274 1.00 0.00 C ATOM 1089 CD2 LEU A 279 -0.289 1.486 -1.849 1.00 0.00 C ATOM 0 H LEU A 279 -1.449 -1.194 1.102 1.00 0.00 H new ATOM 0 HA LEU A 279 -2.572 1.058 -0.323 1.00 0.00 H new ATOM 0 HB2 LEU A 279 -1.494 -1.654 -1.159 1.00 0.00 H new ATOM 0 HB3 LEU A 279 -2.074 -0.452 -2.295 1.00 0.00 H new ATOM 0 HG LEU A 279 0.207 0.037 -0.364 1.00 0.00 H new ATOM 0 HD11 LEU A 279 1.694 -0.309 -2.298 1.00 0.00 H new ATOM 0 HD12 LEU A 279 0.788 -1.786 -1.889 1.00 0.00 H new ATOM 0 HD13 LEU A 279 0.293 -0.795 -3.282 1.00 0.00 H new ATOM 0 HD21 LEU A 279 0.713 1.915 -1.879 1.00 0.00 H new ATOM 0 HD22 LEU A 279 -0.726 1.515 -2.847 1.00 0.00 H new ATOM 0 HD23 LEU A 279 -0.910 2.063 -1.164 1.00 0.00 H new ATOM 1101 N GLU A 280 -4.399 -1.460 0.392 1.00 0.00 N ATOM 1102 CA GLU A 280 -5.731 -2.042 0.284 1.00 0.00 C ATOM 1103 C GLU A 280 -6.803 -0.956 0.298 1.00 0.00 C ATOM 1104 O GLU A 280 -6.720 0.003 1.065 1.00 0.00 O ATOM 1105 CB GLU A 280 -5.975 -3.029 1.427 1.00 0.00 C ATOM 1106 CG GLU A 280 -5.337 -4.390 1.204 1.00 0.00 C ATOM 1107 CD GLU A 280 -6.015 -5.490 1.997 1.00 0.00 C ATOM 1108 OE1 GLU A 280 -7.234 -5.376 2.246 1.00 0.00 O ATOM 1109 OE2 GLU A 280 -5.328 -6.463 2.370 1.00 0.00 O ATOM 0 H GLU A 280 -3.851 -1.803 1.181 1.00 0.00 H new ATOM 0 HA GLU A 280 -5.790 -2.574 -0.665 1.00 0.00 H new ATOM 0 HB2 GLU A 280 -5.587 -2.603 2.352 1.00 0.00 H new ATOM 0 HB3 GLU A 280 -7.049 -3.158 1.561 1.00 0.00 H new ATOM 0 HG2 GLU A 280 -5.376 -4.636 0.143 1.00 0.00 H new ATOM 0 HG3 GLU A 280 -4.284 -4.343 1.482 1.00 0.00 H new