USER MOD reduce.3.24.130724 H: found=0, std=0, add=479, rem=0, adj=9 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 259 THR OG1 : rot 180:sc= -1.12 USER MOD Set 1.2: A 261 THR OG1 : rot 180:sc= -0.498 USER MOD Set 2.1: A 242 GLN : amide:sc= 0.0379 X(o=0.038,f=-0.0028) USER MOD Set 2.2: A 246 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 3.1: A 236 THR OG1 : rot -73:sc= 0.644 USER MOD Set 3.2: A 237 HIS : no HD1:sc= 0.567 K(o=1.2,f=-0.29) USER MOD Single : A 220 HIS : no HD1:sc= -1.78 K(o=-1.8,f=-0.55) USER MOD Single : A 230 MET CE :methyl -144:sc= -6.75! (180deg=-10.2!) USER MOD Single : A 239 SER OG : rot 180:sc= 0 USER MOD Single : A 240 ASN : amide:sc= -3.53! C(o=-3.5!,f=-9.7!) USER MOD Single : A 243 GLN : amide:sc= -0.639 K(o=-0.64,f=-1.8) USER MOD Single : A 251 THR OG1 : rot 121:sc= -1.38 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+ 180:sc= 0 (180deg=0) USER MOD Single : A 274 LYS NZ :NH3+ 165:sc= 0 (180deg=-0.106) USER MOD ----------------------------------------------------------------- ATOM 148 N ALA A 217 12.047 -9.744 -6.623 1.00 0.00 N ATOM 149 CA ALA A 217 11.172 -10.061 -5.502 1.00 0.00 C ATOM 150 C ALA A 217 10.575 -11.457 -5.648 1.00 0.00 C ATOM 151 O ALA A 217 9.850 -11.734 -6.603 1.00 0.00 O ATOM 152 CB ALA A 217 10.067 -9.022 -5.384 1.00 0.00 C ATOM 0 HA ALA A 217 11.770 -10.044 -4.591 1.00 0.00 H new ATOM 0 HB1 ALA A 217 9.421 -9.272 -4.542 1.00 0.00 H new ATOM 0 HB2 ALA A 217 10.508 -8.038 -5.223 1.00 0.00 H new ATOM 0 HB3 ALA A 217 9.479 -9.010 -6.302 1.00 0.00 H new ATOM 158 N ALA A 218 10.886 -12.331 -4.697 1.00 0.00 N ATOM 159 CA ALA A 218 10.379 -13.697 -4.721 1.00 0.00 C ATOM 160 C ALA A 218 8.855 -13.718 -4.673 1.00 0.00 C ATOM 161 O ALA A 218 8.217 -14.589 -5.265 1.00 0.00 O ATOM 162 CB ALA A 218 10.956 -14.495 -3.560 1.00 0.00 C ATOM 0 H ALA A 218 11.486 -12.118 -3.901 1.00 0.00 H new ATOM 0 HA ALA A 218 10.694 -14.158 -5.657 1.00 0.00 H new ATOM 0 HB1 ALA A 218 10.569 -15.513 -3.590 1.00 0.00 H new ATOM 0 HB2 ALA A 218 12.043 -14.518 -3.639 1.00 0.00 H new ATOM 0 HB3 ALA A 218 10.670 -14.026 -2.618 1.00 0.00 H new ATOM 168 N PHE A 219 8.276 -12.755 -3.963 1.00 0.00 N ATOM 169 CA PHE A 219 6.827 -12.664 -3.837 1.00 0.00 C ATOM 170 C PHE A 219 6.320 -11.316 -4.341 1.00 0.00 C ATOM 171 O PHE A 219 6.882 -10.268 -4.019 1.00 0.00 O ATOM 172 CB PHE A 219 6.407 -12.866 -2.379 1.00 0.00 C ATOM 173 CG PHE A 219 6.647 -14.260 -1.874 1.00 0.00 C ATOM 174 CD1 PHE A 219 7.905 -14.647 -1.441 1.00 0.00 C ATOM 175 CD2 PHE A 219 5.615 -15.183 -1.832 1.00 0.00 C ATOM 176 CE1 PHE A 219 8.129 -15.929 -0.976 1.00 0.00 C ATOM 177 CE2 PHE A 219 5.833 -16.467 -1.368 1.00 0.00 C ATOM 178 CZ PHE A 219 7.092 -16.840 -0.939 1.00 0.00 C ATOM 0 H PHE A 219 8.789 -12.027 -3.466 1.00 0.00 H new ATOM 0 HA PHE A 219 6.385 -13.450 -4.448 1.00 0.00 H new ATOM 0 HB2 PHE A 219 6.953 -12.162 -1.751 1.00 0.00 H new ATOM 0 HB3 PHE A 219 5.348 -12.629 -2.278 1.00 0.00 H new ATOM 0 HD1 PHE A 219 8.720 -13.939 -1.467 1.00 0.00 H new ATOM 0 HD2 PHE A 219 4.629 -14.896 -2.166 1.00 0.00 H new ATOM 0 HE1 PHE A 219 9.114 -16.218 -0.642 1.00 0.00 H new ATOM 0 HE2 PHE A 219 5.020 -17.177 -1.341 1.00 0.00 H new ATOM 0 HZ PHE A 219 7.265 -17.842 -0.575 1.00 0.00 H new ATOM 188 N HIS A 220 5.255 -11.350 -5.136 1.00 0.00 N ATOM 189 CA HIS A 220 4.672 -10.132 -5.686 1.00 0.00 C ATOM 190 C HIS A 220 3.150 -10.163 -5.583 1.00 0.00 C ATOM 191 O HIS A 220 2.517 -11.163 -5.922 1.00 0.00 O ATOM 192 CB HIS A 220 5.093 -9.953 -7.145 1.00 0.00 C ATOM 193 CG HIS A 220 4.674 -11.084 -8.032 1.00 0.00 C ATOM 194 ND1 HIS A 220 5.567 -11.977 -8.585 1.00 0.00 N ATOM 195 CD2 HIS A 220 3.448 -11.467 -8.460 1.00 0.00 C ATOM 196 CE1 HIS A 220 4.908 -12.859 -9.316 1.00 0.00 C ATOM 197 NE2 HIS A 220 3.621 -12.572 -9.256 1.00 0.00 N ATOM 0 H HIS A 220 4.778 -12.208 -5.413 1.00 0.00 H new ATOM 0 HA HIS A 220 5.041 -9.288 -5.104 1.00 0.00 H new ATOM 0 HB2 HIS A 220 4.666 -9.025 -7.527 1.00 0.00 H new ATOM 0 HB3 HIS A 220 6.177 -9.848 -7.192 1.00 0.00 H new ATOM 0 HD2 HIS A 220 2.508 -10.992 -8.220 1.00 0.00 H new ATOM 0 HE1 HIS A 220 5.348 -13.676 -9.869 1.00 0.00 H new ATOM 0 HE2 HIS A 220 2.876 -13.087 -9.725 1.00 0.00 H new ATOM 205 N GLU A 221 2.570 -9.063 -5.113 1.00 0.00 N ATOM 206 CA GLU A 221 1.122 -8.968 -4.965 1.00 0.00 C ATOM 207 C GLU A 221 0.542 -7.948 -5.941 1.00 0.00 C ATOM 208 O GLU A 221 1.111 -6.877 -6.146 1.00 0.00 O ATOM 209 CB GLU A 221 0.759 -8.581 -3.530 1.00 0.00 C ATOM 210 CG GLU A 221 1.048 -9.673 -2.514 1.00 0.00 C ATOM 211 CD GLU A 221 -0.074 -10.689 -2.414 1.00 0.00 C ATOM 212 OE1 GLU A 221 -1.166 -10.322 -1.933 1.00 0.00 O ATOM 213 OE2 GLU A 221 0.142 -11.851 -2.818 1.00 0.00 O ATOM 0 H GLU A 221 3.080 -8.226 -4.829 1.00 0.00 H new ATOM 0 HA GLU A 221 0.694 -9.945 -5.190 1.00 0.00 H new ATOM 0 HB2 GLU A 221 1.312 -7.683 -3.254 1.00 0.00 H new ATOM 0 HB3 GLU A 221 -0.300 -8.328 -3.488 1.00 0.00 H new ATOM 0 HG2 GLU A 221 1.972 -10.183 -2.787 1.00 0.00 H new ATOM 0 HG3 GLU A 221 1.211 -9.220 -1.536 1.00 0.00 H new ATOM 220 N GLU A 222 -0.594 -8.291 -6.540 1.00 0.00 N ATOM 221 CA GLU A 222 -1.251 -7.406 -7.495 1.00 0.00 C ATOM 222 C GLU A 222 -2.767 -7.460 -7.333 1.00 0.00 C ATOM 223 O GLU A 222 -3.371 -8.532 -7.385 1.00 0.00 O ATOM 224 CB GLU A 222 -0.866 -7.788 -8.926 1.00 0.00 C ATOM 225 CG GLU A 222 -1.401 -6.830 -9.977 1.00 0.00 C ATOM 226 CD GLU A 222 -1.589 -7.491 -11.328 1.00 0.00 C ATOM 227 OE1 GLU A 222 -0.892 -8.490 -11.603 1.00 0.00 O ATOM 228 OE2 GLU A 222 -2.434 -7.010 -12.111 1.00 0.00 O ATOM 0 H GLU A 222 -1.078 -9.175 -6.381 1.00 0.00 H new ATOM 0 HA GLU A 222 -0.918 -6.387 -7.296 1.00 0.00 H new ATOM 0 HB2 GLU A 222 0.221 -7.828 -9.002 1.00 0.00 H new ATOM 0 HB3 GLU A 222 -1.237 -8.791 -9.138 1.00 0.00 H new ATOM 0 HG2 GLU A 222 -2.354 -6.423 -9.640 1.00 0.00 H new ATOM 0 HG3 GLU A 222 -0.714 -5.990 -10.080 1.00 0.00 H new ATOM 235 N PHE A 223 -3.377 -6.296 -7.137 1.00 0.00 N ATOM 236 CA PHE A 223 -4.823 -6.209 -6.965 1.00 0.00 C ATOM 237 C PHE A 223 -5.377 -4.961 -7.647 1.00 0.00 C ATOM 238 O PHE A 223 -4.696 -3.941 -7.749 1.00 0.00 O ATOM 239 CB PHE A 223 -5.181 -6.194 -5.478 1.00 0.00 C ATOM 240 CG PHE A 223 -4.316 -5.276 -4.662 1.00 0.00 C ATOM 241 CD1 PHE A 223 -3.099 -5.712 -4.163 1.00 0.00 C ATOM 242 CD2 PHE A 223 -4.719 -3.978 -4.394 1.00 0.00 C ATOM 243 CE1 PHE A 223 -2.300 -4.870 -3.412 1.00 0.00 C ATOM 244 CE2 PHE A 223 -3.924 -3.132 -3.644 1.00 0.00 C ATOM 245 CZ PHE A 223 -2.714 -3.579 -3.152 1.00 0.00 C ATOM 0 H PHE A 223 -2.893 -5.399 -7.093 1.00 0.00 H new ATOM 0 HA PHE A 223 -5.273 -7.086 -7.430 1.00 0.00 H new ATOM 0 HB2 PHE A 223 -6.223 -5.893 -5.366 1.00 0.00 H new ATOM 0 HB3 PHE A 223 -5.097 -7.206 -5.082 1.00 0.00 H new ATOM 0 HD1 PHE A 223 -2.771 -6.721 -4.363 1.00 0.00 H new ATOM 0 HD2 PHE A 223 -5.665 -3.623 -4.775 1.00 0.00 H new ATOM 0 HE1 PHE A 223 -1.353 -5.222 -3.029 1.00 0.00 H new ATOM 0 HE2 PHE A 223 -4.249 -2.122 -3.443 1.00 0.00 H new ATOM 0 HZ PHE A 223 -2.092 -2.920 -2.565 1.00 0.00 H new ATOM 255 N VAL A 224 -6.619 -5.051 -8.112 1.00 0.00 N ATOM 256 CA VAL A 224 -7.267 -3.931 -8.783 1.00 0.00 C ATOM 257 C VAL A 224 -8.182 -3.173 -7.829 1.00 0.00 C ATOM 258 O VAL A 224 -9.177 -3.713 -7.345 1.00 0.00 O ATOM 259 CB VAL A 224 -8.088 -4.403 -9.998 1.00 0.00 C ATOM 260 CG1 VAL A 224 -8.598 -3.211 -10.794 1.00 0.00 C ATOM 261 CG2 VAL A 224 -7.256 -5.324 -10.877 1.00 0.00 C ATOM 0 H VAL A 224 -7.196 -5.888 -8.036 1.00 0.00 H new ATOM 0 HA VAL A 224 -6.474 -3.266 -9.126 1.00 0.00 H new ATOM 0 HB VAL A 224 -8.950 -4.964 -9.636 1.00 0.00 H new ATOM 0 HG11 VAL A 224 -9.176 -3.564 -11.648 1.00 0.00 H new ATOM 0 HG12 VAL A 224 -9.232 -2.593 -10.158 1.00 0.00 H new ATOM 0 HG13 VAL A 224 -7.752 -2.621 -11.147 1.00 0.00 H new ATOM 0 HG21 VAL A 224 -7.851 -5.648 -11.731 1.00 0.00 H new ATOM 0 HG22 VAL A 224 -6.374 -4.790 -11.231 1.00 0.00 H new ATOM 0 HG23 VAL A 224 -6.945 -6.195 -10.300 1.00 0.00 H new ATOM 271 N VAL A 225 -7.840 -1.916 -7.562 1.00 0.00 N ATOM 272 CA VAL A 225 -8.632 -1.082 -6.666 1.00 0.00 C ATOM 273 C VAL A 225 -9.449 -0.059 -7.447 1.00 0.00 C ATOM 274 O VAL A 225 -8.950 0.566 -8.382 1.00 0.00 O ATOM 275 CB VAL A 225 -7.739 -0.343 -5.651 1.00 0.00 C ATOM 276 CG1 VAL A 225 -8.525 0.752 -4.947 1.00 0.00 C ATOM 277 CG2 VAL A 225 -7.155 -1.322 -4.645 1.00 0.00 C ATOM 0 H VAL A 225 -7.020 -1.453 -7.954 1.00 0.00 H new ATOM 0 HA VAL A 225 -9.307 -1.747 -6.128 1.00 0.00 H new ATOM 0 HB VAL A 225 -6.915 0.124 -6.190 1.00 0.00 H new ATOM 0 HG11 VAL A 225 -7.878 1.263 -4.234 1.00 0.00 H new ATOM 0 HG12 VAL A 225 -8.891 1.468 -5.683 1.00 0.00 H new ATOM 0 HG13 VAL A 225 -9.370 0.311 -4.419 1.00 0.00 H new ATOM 0 HG21 VAL A 225 -6.527 -0.783 -3.936 1.00 0.00 H new ATOM 0 HG22 VAL A 225 -7.964 -1.819 -4.109 1.00 0.00 H new ATOM 0 HG23 VAL A 225 -6.555 -2.067 -5.168 1.00 0.00 H new ATOM 287 N ARG A 226 -10.709 0.107 -7.056 1.00 0.00 N ATOM 288 CA ARG A 226 -11.596 1.054 -7.719 1.00 0.00 C ATOM 289 C ARG A 226 -10.978 2.448 -7.751 1.00 0.00 C ATOM 290 O ARG A 226 -10.458 2.930 -6.745 1.00 0.00 O ATOM 291 CB ARG A 226 -12.950 1.101 -7.008 1.00 0.00 C ATOM 292 CG ARG A 226 -13.950 0.084 -7.533 1.00 0.00 C ATOM 293 CD ARG A 226 -15.248 0.118 -6.742 1.00 0.00 C ATOM 294 NE ARG A 226 -15.966 1.377 -6.922 1.00 0.00 N ATOM 295 CZ ARG A 226 -17.127 1.650 -6.339 1.00 0.00 C ATOM 296 NH1 ARG A 226 -17.698 0.759 -5.541 1.00 0.00 N ATOM 297 NH2 ARG A 226 -17.719 2.818 -6.552 1.00 0.00 N ATOM 0 H ARG A 226 -11.138 -0.402 -6.283 1.00 0.00 H new ATOM 0 HA ARG A 226 -11.743 0.717 -8.745 1.00 0.00 H new ATOM 0 HB2 ARG A 226 -12.797 0.931 -5.942 1.00 0.00 H new ATOM 0 HB3 ARG A 226 -13.372 2.101 -7.114 1.00 0.00 H new ATOM 0 HG2 ARG A 226 -14.158 0.286 -8.584 1.00 0.00 H new ATOM 0 HG3 ARG A 226 -13.517 -0.915 -7.480 1.00 0.00 H new ATOM 0 HD2 ARG A 226 -15.884 -0.710 -7.054 1.00 0.00 H new ATOM 0 HD3 ARG A 226 -15.031 -0.028 -5.684 1.00 0.00 H new ATOM 0 HE ARG A 226 -15.553 2.085 -7.529 1.00 0.00 H new ATOM 0 HH11 ARG A 226 -17.245 -0.140 -5.373 1.00 0.00 H new ATOM 0 HH12 ARG A 226 -18.590 0.972 -5.095 1.00 0.00 H new ATOM 0 HH21 ARG A 226 -17.282 3.507 -7.164 1.00 0.00 H new ATOM 0 HH22 ARG A 226 -18.611 3.027 -6.104 1.00 0.00 H new ATOM 311 N GLU A 227 -11.038 3.090 -8.914 1.00 0.00 N ATOM 312 CA GLU A 227 -10.482 4.429 -9.076 1.00 0.00 C ATOM 313 C GLU A 227 -10.989 5.365 -7.983 1.00 0.00 C ATOM 314 O GLU A 227 -10.309 6.317 -7.601 1.00 0.00 O ATOM 315 CB GLU A 227 -10.843 4.991 -10.453 1.00 0.00 C ATOM 316 CG GLU A 227 -12.339 5.092 -10.696 1.00 0.00 C ATOM 317 CD GLU A 227 -12.671 5.633 -12.073 1.00 0.00 C ATOM 318 OE1 GLU A 227 -12.426 6.833 -12.315 1.00 0.00 O ATOM 319 OE2 GLU A 227 -13.175 4.855 -12.910 1.00 0.00 O ATOM 0 H GLU A 227 -11.465 2.705 -9.757 1.00 0.00 H new ATOM 0 HA GLU A 227 -9.398 4.357 -8.993 1.00 0.00 H new ATOM 0 HB2 GLU A 227 -10.398 5.980 -10.560 1.00 0.00 H new ATOM 0 HB3 GLU A 227 -10.400 4.358 -11.222 1.00 0.00 H new ATOM 0 HG2 GLU A 227 -12.790 4.107 -10.579 1.00 0.00 H new ATOM 0 HG3 GLU A 227 -12.783 5.738 -9.939 1.00 0.00 H new ATOM 326 N ASP A 228 -12.189 5.087 -7.485 1.00 0.00 N ATOM 327 CA ASP A 228 -12.789 5.903 -6.435 1.00 0.00 C ATOM 328 C ASP A 228 -12.129 5.626 -5.088 1.00 0.00 C ATOM 329 O ASP A 228 -11.898 6.542 -4.298 1.00 0.00 O ATOM 330 CB ASP A 228 -14.292 5.634 -6.346 1.00 0.00 C ATOM 331 CG ASP A 228 -15.060 6.818 -5.793 1.00 0.00 C ATOM 332 OD1 ASP A 228 -15.403 7.724 -6.582 1.00 0.00 O ATOM 333 OD2 ASP A 228 -15.320 6.838 -4.572 1.00 0.00 O ATOM 0 H ASP A 228 -12.765 4.303 -7.791 1.00 0.00 H new ATOM 0 HA ASP A 228 -12.630 6.951 -6.688 1.00 0.00 H new ATOM 0 HB2 ASP A 228 -14.673 5.388 -7.337 1.00 0.00 H new ATOM 0 HB3 ASP A 228 -14.466 4.764 -5.713 1.00 0.00 H new ATOM 338 N LEU A 229 -11.829 4.358 -4.831 1.00 0.00 N ATOM 339 CA LEU A 229 -11.197 3.959 -3.578 1.00 0.00 C ATOM 340 C LEU A 229 -9.726 4.362 -3.559 1.00 0.00 C ATOM 341 O LEU A 229 -9.148 4.584 -2.496 1.00 0.00 O ATOM 342 CB LEU A 229 -11.327 2.449 -3.377 1.00 0.00 C ATOM 343 CG LEU A 229 -12.752 1.893 -3.365 1.00 0.00 C ATOM 344 CD1 LEU A 229 -12.733 0.373 -3.423 1.00 0.00 C ATOM 345 CD2 LEU A 229 -13.501 2.372 -2.130 1.00 0.00 C ATOM 0 H LEU A 229 -12.013 3.588 -5.474 1.00 0.00 H new ATOM 0 HA LEU A 229 -11.706 4.472 -2.762 1.00 0.00 H new ATOM 0 HB2 LEU A 229 -10.770 1.948 -4.169 1.00 0.00 H new ATOM 0 HB3 LEU A 229 -10.848 2.186 -2.434 1.00 0.00 H new ATOM 0 HG LEU A 229 -13.273 2.263 -4.248 1.00 0.00 H new ATOM 0 HD11 LEU A 229 -13.756 -0.004 -3.414 1.00 0.00 H new ATOM 0 HD12 LEU A 229 -12.235 0.050 -4.337 1.00 0.00 H new ATOM 0 HD13 LEU A 229 -12.194 -0.017 -2.560 1.00 0.00 H new ATOM 0 HD21 LEU A 229 -14.513 1.967 -2.138 1.00 0.00 H new ATOM 0 HD22 LEU A 229 -12.981 2.032 -1.234 1.00 0.00 H new ATOM 0 HD23 LEU A 229 -13.546 3.461 -2.132 1.00 0.00 H new ATOM 357 N MET A 230 -9.128 4.456 -4.742 1.00 0.00 N ATOM 358 CA MET A 230 -7.725 4.835 -4.860 1.00 0.00 C ATOM 359 C MET A 230 -7.385 5.967 -3.896 1.00 0.00 C ATOM 360 O MET A 230 -6.471 5.848 -3.081 1.00 0.00 O ATOM 361 CB MET A 230 -7.408 5.259 -6.296 1.00 0.00 C ATOM 362 CG MET A 230 -7.481 4.117 -7.297 1.00 0.00 C ATOM 363 SD MET A 230 -6.357 2.767 -6.892 1.00 0.00 S ATOM 364 CE MET A 230 -5.243 2.821 -8.294 1.00 0.00 C ATOM 0 H MET A 230 -9.593 4.275 -5.632 1.00 0.00 H new ATOM 0 HA MET A 230 -7.117 3.968 -4.603 1.00 0.00 H new ATOM 0 HB2 MET A 230 -8.105 6.041 -6.598 1.00 0.00 H new ATOM 0 HB3 MET A 230 -6.409 5.694 -6.326 1.00 0.00 H new ATOM 0 HG2 MET A 230 -8.502 3.736 -7.334 1.00 0.00 H new ATOM 0 HG3 MET A 230 -7.245 4.495 -8.292 1.00 0.00 H new ATOM 0 HE1 MET A 230 -4.945 1.807 -8.561 1.00 0.00 H new ATOM 0 HE2 MET A 230 -5.747 3.286 -9.141 1.00 0.00 H new ATOM 0 HE3 MET A 230 -4.359 3.402 -8.034 1.00 0.00 H new ATOM 374 N GLY A 231 -8.126 7.067 -3.996 1.00 0.00 N ATOM 375 CA GLY A 231 -7.887 8.204 -3.127 1.00 0.00 C ATOM 376 C GLY A 231 -7.865 7.820 -1.661 1.00 0.00 C ATOM 377 O GLY A 231 -7.042 8.320 -0.893 1.00 0.00 O ATOM 0 H GLY A 231 -8.887 7.190 -4.663 1.00 0.00 H new ATOM 0 HA2 GLY A 231 -6.936 8.666 -3.392 1.00 0.00 H new ATOM 0 HA3 GLY A 231 -8.662 8.952 -3.292 1.00 0.00 H new ATOM 381 N LEU A 232 -8.770 6.930 -1.271 1.00 0.00 N ATOM 382 CA LEU A 232 -8.853 6.479 0.114 1.00 0.00 C ATOM 383 C LEU A 232 -7.675 5.576 0.464 1.00 0.00 C ATOM 384 O LEU A 232 -6.908 5.866 1.382 1.00 0.00 O ATOM 385 CB LEU A 232 -10.168 5.736 0.352 1.00 0.00 C ATOM 386 CG LEU A 232 -11.431 6.598 0.381 1.00 0.00 C ATOM 387 CD1 LEU A 232 -12.669 5.739 0.174 1.00 0.00 C ATOM 388 CD2 LEU A 232 -11.524 7.364 1.692 1.00 0.00 C ATOM 0 H LEU A 232 -9.457 6.506 -1.894 1.00 0.00 H new ATOM 0 HA LEU A 232 -8.818 7.357 0.758 1.00 0.00 H new ATOM 0 HB2 LEU A 232 -10.284 4.984 -0.429 1.00 0.00 H new ATOM 0 HB3 LEU A 232 -10.094 5.203 1.300 1.00 0.00 H new ATOM 0 HG LEU A 232 -11.374 7.319 -0.434 1.00 0.00 H new ATOM 0 HD11 LEU A 232 -13.558 6.370 0.198 1.00 0.00 H new ATOM 0 HD12 LEU A 232 -12.606 5.237 -0.791 1.00 0.00 H new ATOM 0 HD13 LEU A 232 -12.732 4.994 0.967 1.00 0.00 H new ATOM 0 HD21 LEU A 232 -12.429 7.972 1.695 1.00 0.00 H new ATOM 0 HD22 LEU A 232 -11.557 6.660 2.523 1.00 0.00 H new ATOM 0 HD23 LEU A 232 -10.653 8.010 1.799 1.00 0.00 H new ATOM 400 N ALA A 233 -7.536 4.480 -0.275 1.00 0.00 N ATOM 401 CA ALA A 233 -6.449 3.536 -0.046 1.00 0.00 C ATOM 402 C ALA A 233 -5.100 4.248 -0.024 1.00 0.00 C ATOM 403 O ALA A 233 -4.214 3.894 0.755 1.00 0.00 O ATOM 404 CB ALA A 233 -6.458 2.452 -1.113 1.00 0.00 C ATOM 0 H ALA A 233 -8.163 4.224 -1.038 1.00 0.00 H new ATOM 0 HA ALA A 233 -6.602 3.072 0.929 1.00 0.00 H new ATOM 0 HB1 ALA A 233 -5.641 1.754 -0.930 1.00 0.00 H new ATOM 0 HB2 ALA A 233 -7.407 1.917 -1.080 1.00 0.00 H new ATOM 0 HB3 ALA A 233 -6.333 2.907 -2.095 1.00 0.00 H new ATOM 410 N ILE A 234 -4.951 5.251 -0.883 1.00 0.00 N ATOM 411 CA ILE A 234 -3.710 6.011 -0.960 1.00 0.00 C ATOM 412 C ILE A 234 -3.600 7.003 0.193 1.00 0.00 C ATOM 413 O ILE A 234 -2.507 7.281 0.685 1.00 0.00 O ATOM 414 CB ILE A 234 -3.601 6.775 -2.293 1.00 0.00 C ATOM 415 CG1 ILE A 234 -3.490 5.794 -3.461 1.00 0.00 C ATOM 416 CG2 ILE A 234 -2.404 7.715 -2.268 1.00 0.00 C ATOM 417 CD1 ILE A 234 -3.261 6.467 -4.796 1.00 0.00 C ATOM 0 H ILE A 234 -5.674 5.556 -1.535 1.00 0.00 H new ATOM 0 HA ILE A 234 -2.894 5.291 -0.895 1.00 0.00 H new ATOM 0 HB ILE A 234 -4.504 7.371 -2.428 1.00 0.00 H new ATOM 0 HG12 ILE A 234 -2.671 5.102 -3.267 1.00 0.00 H new ATOM 0 HG13 ILE A 234 -4.403 5.200 -3.514 1.00 0.00 H new ATOM 0 HG21 ILE A 234 -2.340 8.248 -3.217 1.00 0.00 H new ATOM 0 HG22 ILE A 234 -2.522 8.433 -1.456 1.00 0.00 H new ATOM 0 HG23 ILE A 234 -1.492 7.139 -2.113 1.00 0.00 H new ATOM 0 HD11 ILE A 234 -3.192 5.711 -5.578 1.00 0.00 H new ATOM 0 HD12 ILE A 234 -4.092 7.138 -5.012 1.00 0.00 H new ATOM 0 HD13 ILE A 234 -2.333 7.038 -4.761 1.00 0.00 H new ATOM 429 N GLY A 235 -4.742 7.534 0.620 1.00 0.00 N ATOM 430 CA GLY A 235 -4.753 8.488 1.714 1.00 0.00 C ATOM 431 C GLY A 235 -4.584 9.917 1.237 1.00 0.00 C ATOM 432 O GLY A 235 -4.975 10.259 0.121 1.00 0.00 O ATOM 0 H GLY A 235 -5.659 7.321 0.228 1.00 0.00 H new ATOM 0 HA2 GLY A 235 -5.692 8.399 2.261 1.00 0.00 H new ATOM 0 HA3 GLY A 235 -3.953 8.244 2.413 1.00 0.00 H new ATOM 436 N THR A 236 -4.000 10.758 2.086 1.00 0.00 N ATOM 437 CA THR A 236 -3.783 12.158 1.748 1.00 0.00 C ATOM 438 C THR A 236 -2.327 12.414 1.373 1.00 0.00 C ATOM 439 O THR A 236 -1.416 12.125 2.149 1.00 0.00 O ATOM 440 CB THR A 236 -4.171 13.085 2.915 1.00 0.00 C ATOM 441 OG1 THR A 236 -3.985 14.454 2.537 1.00 0.00 O ATOM 442 CG2 THR A 236 -3.338 12.778 4.150 1.00 0.00 C ATOM 0 H THR A 236 -3.669 10.492 3.013 1.00 0.00 H new ATOM 0 HA THR A 236 -4.420 12.378 0.892 1.00 0.00 H new ATOM 0 HB THR A 236 -5.221 12.913 3.152 1.00 0.00 H new ATOM 0 HG1 THR A 236 -3.027 14.657 2.505 1.00 0.00 H new ATOM 0 HG21 THR A 236 -3.630 13.445 4.961 1.00 0.00 H new ATOM 0 HG22 THR A 236 -3.504 11.744 4.453 1.00 0.00 H new ATOM 0 HG23 THR A 236 -2.282 12.924 3.922 1.00 0.00 H new ATOM 450 N HIS A 237 -2.116 12.959 0.179 1.00 0.00 N ATOM 451 CA HIS A 237 -0.769 13.255 -0.298 1.00 0.00 C ATOM 452 C HIS A 237 0.108 12.007 -0.260 1.00 0.00 C ATOM 453 O HIS A 237 1.244 12.049 0.209 1.00 0.00 O ATOM 454 CB HIS A 237 -0.138 14.362 0.547 1.00 0.00 C ATOM 455 CG HIS A 237 -1.041 15.538 0.765 1.00 0.00 C ATOM 456 ND1 HIS A 237 -1.453 15.949 2.015 1.00 0.00 N ATOM 457 CD2 HIS A 237 -1.609 16.393 -0.117 1.00 0.00 C ATOM 458 CE1 HIS A 237 -2.237 17.005 1.892 1.00 0.00 C ATOM 459 NE2 HIS A 237 -2.348 17.295 0.608 1.00 0.00 N ATOM 0 H HIS A 237 -2.859 13.204 -0.475 1.00 0.00 H new ATOM 0 HA HIS A 237 -0.843 13.594 -1.331 1.00 0.00 H new ATOM 0 HB2 HIS A 237 0.149 13.950 1.515 1.00 0.00 H new ATOM 0 HB3 HIS A 237 0.777 14.702 0.061 1.00 0.00 H new ATOM 0 HD2 HIS A 237 -1.501 16.370 -1.191 1.00 0.00 H new ATOM 0 HE1 HIS A 237 -2.707 17.540 2.703 1.00 0.00 H new ATOM 0 HE2 HIS A 237 -2.894 18.064 0.219 1.00 0.00 H new ATOM 467 N GLY A 238 -0.430 10.897 -0.756 1.00 0.00 N ATOM 468 CA GLY A 238 0.317 9.653 -0.768 1.00 0.00 C ATOM 469 C GLY A 238 0.784 9.243 0.615 1.00 0.00 C ATOM 470 O GLY A 238 1.981 9.082 0.852 1.00 0.00 O ATOM 0 H GLY A 238 -1.369 10.837 -1.149 1.00 0.00 H new ATOM 0 HA2 GLY A 238 -0.306 8.863 -1.187 1.00 0.00 H new ATOM 0 HA3 GLY A 238 1.181 9.758 -1.424 1.00 0.00 H new ATOM 474 N SER A 239 -0.164 9.076 1.532 1.00 0.00 N ATOM 475 CA SER A 239 0.156 8.688 2.901 1.00 0.00 C ATOM 476 C SER A 239 0.300 7.173 3.017 1.00 0.00 C ATOM 477 O SER A 239 1.343 6.668 3.431 1.00 0.00 O ATOM 478 CB SER A 239 -0.927 9.183 3.861 1.00 0.00 C ATOM 479 OG SER A 239 -0.440 9.249 5.190 1.00 0.00 O ATOM 0 H SER A 239 -1.160 9.203 1.352 1.00 0.00 H new ATOM 0 HA SER A 239 1.107 9.148 3.169 1.00 0.00 H new ATOM 0 HB2 SER A 239 -1.272 10.168 3.548 1.00 0.00 H new ATOM 0 HB3 SER A 239 -1.788 8.515 3.819 1.00 0.00 H new ATOM 0 HG SER A 239 -1.151 9.570 5.783 1.00 0.00 H new ATOM 485 N ASN A 240 -0.755 6.455 2.647 1.00 0.00 N ATOM 486 CA ASN A 240 -0.748 4.998 2.710 1.00 0.00 C ATOM 487 C ASN A 240 0.442 4.427 1.944 1.00 0.00 C ATOM 488 O ASN A 240 1.263 3.701 2.505 1.00 0.00 O ATOM 489 CB ASN A 240 -2.052 4.436 2.142 1.00 0.00 C ATOM 490 CG ASN A 240 -3.273 4.951 2.878 1.00 0.00 C ATOM 491 OD1 ASN A 240 -3.422 6.154 3.091 1.00 0.00 O ATOM 492 ND2 ASN A 240 -4.155 4.039 3.272 1.00 0.00 N ATOM 0 H ASN A 240 -1.626 6.858 2.300 1.00 0.00 H new ATOM 0 HA ASN A 240 -0.659 4.704 3.756 1.00 0.00 H new ATOM 0 HB2 ASN A 240 -2.129 4.700 1.087 1.00 0.00 H new ATOM 0 HB3 ASN A 240 -2.030 3.348 2.198 1.00 0.00 H new ATOM 0 HD21 ASN A 240 -4.996 4.326 3.773 1.00 0.00 H new ATOM 0 HD22 ASN A 240 -3.991 3.052 3.074 1.00 0.00 H new ATOM 499 N ILE A 241 0.528 4.760 0.661 1.00 0.00 N ATOM 500 CA ILE A 241 1.617 4.282 -0.181 1.00 0.00 C ATOM 501 C ILE A 241 2.960 4.416 0.529 1.00 0.00 C ATOM 502 O ILE A 241 3.742 3.468 0.582 1.00 0.00 O ATOM 503 CB ILE A 241 1.676 5.049 -1.515 1.00 0.00 C ATOM 504 CG1 ILE A 241 0.431 4.752 -2.354 1.00 0.00 C ATOM 505 CG2 ILE A 241 2.938 4.682 -2.282 1.00 0.00 C ATOM 506 CD1 ILE A 241 0.392 5.506 -3.665 1.00 0.00 C ATOM 0 H ILE A 241 -0.144 5.359 0.182 1.00 0.00 H new ATOM 0 HA ILE A 241 1.419 3.230 -0.385 1.00 0.00 H new ATOM 0 HB ILE A 241 1.702 6.118 -1.302 1.00 0.00 H new ATOM 0 HG12 ILE A 241 0.387 3.682 -2.558 1.00 0.00 H new ATOM 0 HG13 ILE A 241 -0.457 5.003 -1.773 1.00 0.00 H new ATOM 0 HG21 ILE A 241 2.965 5.232 -3.223 1.00 0.00 H new ATOM 0 HG22 ILE A 241 3.814 4.939 -1.686 1.00 0.00 H new ATOM 0 HG23 ILE A 241 2.940 3.612 -2.488 1.00 0.00 H new ATOM 0 HD11 ILE A 241 -0.518 5.247 -4.207 1.00 0.00 H new ATOM 0 HD12 ILE A 241 0.404 6.578 -3.469 1.00 0.00 H new ATOM 0 HD13 ILE A 241 1.261 5.237 -4.265 1.00 0.00 H new ATOM 518 N GLN A 242 3.219 5.600 1.075 1.00 0.00 N ATOM 519 CA GLN A 242 4.467 5.858 1.784 1.00 0.00 C ATOM 520 C GLN A 242 4.720 4.793 2.846 1.00 0.00 C ATOM 521 O GLN A 242 5.643 3.987 2.722 1.00 0.00 O ATOM 522 CB GLN A 242 4.434 7.243 2.431 1.00 0.00 C ATOM 523 CG GLN A 242 4.918 8.355 1.515 1.00 0.00 C ATOM 524 CD GLN A 242 5.028 9.690 2.225 1.00 0.00 C ATOM 525 OE1 GLN A 242 5.736 9.818 3.224 1.00 0.00 O ATOM 526 NE2 GLN A 242 4.328 10.694 1.711 1.00 0.00 N ATOM 0 H GLN A 242 2.581 6.395 1.040 1.00 0.00 H new ATOM 0 HA GLN A 242 5.281 5.823 1.060 1.00 0.00 H new ATOM 0 HB2 GLN A 242 3.414 7.463 2.748 1.00 0.00 H new ATOM 0 HB3 GLN A 242 5.051 7.230 3.330 1.00 0.00 H new ATOM 0 HG2 GLN A 242 5.891 8.085 1.105 1.00 0.00 H new ATOM 0 HG3 GLN A 242 4.233 8.451 0.673 1.00 0.00 H new ATOM 0 HE21 GLN A 242 3.754 10.543 0.881 1.00 0.00 H new ATOM 0 HE22 GLN A 242 4.364 11.616 2.146 1.00 0.00 H new ATOM 535 N GLN A 243 3.895 4.795 3.888 1.00 0.00 N ATOM 536 CA GLN A 243 4.031 3.829 4.971 1.00 0.00 C ATOM 537 C GLN A 243 4.282 2.428 4.424 1.00 0.00 C ATOM 538 O GLN A 243 5.018 1.641 5.018 1.00 0.00 O ATOM 539 CB GLN A 243 2.776 3.831 5.845 1.00 0.00 C ATOM 540 CG GLN A 243 2.691 5.023 6.786 1.00 0.00 C ATOM 541 CD GLN A 243 3.778 5.011 7.842 1.00 0.00 C ATOM 542 OE1 GLN A 243 4.938 5.312 7.560 1.00 0.00 O ATOM 543 NE2 GLN A 243 3.407 4.662 9.069 1.00 0.00 N ATOM 0 H GLN A 243 3.126 5.455 4.005 1.00 0.00 H new ATOM 0 HA GLN A 243 4.888 4.120 5.578 1.00 0.00 H new ATOM 0 HB2 GLN A 243 1.896 3.823 5.202 1.00 0.00 H new ATOM 0 HB3 GLN A 243 2.751 2.913 6.432 1.00 0.00 H new ATOM 0 HG2 GLN A 243 2.762 5.944 6.207 1.00 0.00 H new ATOM 0 HG3 GLN A 243 1.716 5.027 7.273 1.00 0.00 H new ATOM 0 HE21 GLN A 243 2.434 4.420 9.258 1.00 0.00 H new ATOM 0 HE22 GLN A 243 4.095 4.636 9.822 1.00 0.00 H new ATOM 552 N ALA A 244 3.663 2.123 3.288 1.00 0.00 N ATOM 553 CA ALA A 244 3.820 0.817 2.659 1.00 0.00 C ATOM 554 C ALA A 244 5.268 0.577 2.246 1.00 0.00 C ATOM 555 O ALA A 244 5.857 -0.450 2.583 1.00 0.00 O ATOM 556 CB ALA A 244 2.899 0.697 1.454 1.00 0.00 C ATOM 0 H ALA A 244 3.048 2.762 2.785 1.00 0.00 H new ATOM 0 HA ALA A 244 3.547 0.055 3.389 1.00 0.00 H new ATOM 0 HB1 ALA A 244 3.027 -0.283 0.994 1.00 0.00 H new ATOM 0 HB2 ALA A 244 1.864 0.815 1.774 1.00 0.00 H new ATOM 0 HB3 ALA A 244 3.145 1.473 0.729 1.00 0.00 H new ATOM 562 N ARG A 245 5.836 1.531 1.516 1.00 0.00 N ATOM 563 CA ARG A 245 7.215 1.422 1.056 1.00 0.00 C ATOM 564 C ARG A 245 8.187 1.478 2.231 1.00 0.00 C ATOM 565 O ARG A 245 9.374 1.188 2.084 1.00 0.00 O ATOM 566 CB ARG A 245 7.534 2.541 0.063 1.00 0.00 C ATOM 567 CG ARG A 245 6.841 2.379 -1.281 1.00 0.00 C ATOM 568 CD ARG A 245 7.208 3.505 -2.235 1.00 0.00 C ATOM 569 NE ARG A 245 8.653 3.629 -2.405 1.00 0.00 N ATOM 570 CZ ARG A 245 9.231 4.622 -3.073 1.00 0.00 C ATOM 571 NH1 ARG A 245 8.491 5.570 -3.630 1.00 0.00 N ATOM 572 NH2 ARG A 245 10.553 4.666 -3.184 1.00 0.00 N ATOM 0 H ARG A 245 5.363 2.388 1.230 1.00 0.00 H new ATOM 0 HA ARG A 245 7.330 0.459 0.558 1.00 0.00 H new ATOM 0 HB2 ARG A 245 7.243 3.496 0.499 1.00 0.00 H new ATOM 0 HB3 ARG A 245 8.612 2.578 -0.096 1.00 0.00 H new ATOM 0 HG2 ARG A 245 7.119 1.422 -1.722 1.00 0.00 H new ATOM 0 HG3 ARG A 245 5.761 2.361 -1.135 1.00 0.00 H new ATOM 0 HD2 ARG A 245 6.743 3.325 -3.204 1.00 0.00 H new ATOM 0 HD3 ARG A 245 6.805 4.445 -1.858 1.00 0.00 H new ATOM 0 HE ARG A 245 9.251 2.915 -1.989 1.00 0.00 H new ATOM 0 HH11 ARG A 245 7.475 5.539 -3.547 1.00 0.00 H new ATOM 0 HH12 ARG A 245 8.938 6.331 -4.142 1.00 0.00 H new ATOM 0 HH21 ARG A 245 11.125 3.938 -2.757 1.00 0.00 H new ATOM 0 HH22 ARG A 245 10.997 5.428 -3.697 1.00 0.00 H new ATOM 586 N LYS A 246 7.674 1.853 3.398 1.00 0.00 N ATOM 587 CA LYS A 246 8.494 1.947 4.600 1.00 0.00 C ATOM 588 C LYS A 246 8.567 0.602 5.315 1.00 0.00 C ATOM 589 O LYS A 246 9.165 0.488 6.385 1.00 0.00 O ATOM 590 CB LYS A 246 7.929 3.009 5.546 1.00 0.00 C ATOM 591 CG LYS A 246 7.736 4.366 4.891 1.00 0.00 C ATOM 592 CD LYS A 246 8.977 5.232 5.024 1.00 0.00 C ATOM 593 CE LYS A 246 8.819 6.551 4.284 1.00 0.00 C ATOM 594 NZ LYS A 246 8.032 7.539 5.073 1.00 0.00 N ATOM 0 H LYS A 246 6.693 2.097 3.537 1.00 0.00 H new ATOM 0 HA LYS A 246 9.502 2.235 4.300 1.00 0.00 H new ATOM 0 HB2 LYS A 246 6.972 2.664 5.936 1.00 0.00 H new ATOM 0 HB3 LYS A 246 8.600 3.118 6.398 1.00 0.00 H new ATOM 0 HG2 LYS A 246 7.497 4.231 3.836 1.00 0.00 H new ATOM 0 HG3 LYS A 246 6.886 4.874 5.348 1.00 0.00 H new ATOM 0 HD2 LYS A 246 9.175 5.427 6.078 1.00 0.00 H new ATOM 0 HD3 LYS A 246 9.840 4.695 4.632 1.00 0.00 H new ATOM 0 HE2 LYS A 246 9.803 6.964 4.063 1.00 0.00 H new ATOM 0 HE3 LYS A 246 8.326 6.374 3.328 1.00 0.00 H new ATOM 0 HZ1 LYS A 246 7.947 8.425 4.534 1.00 0.00 H new ATOM 0 HZ2 LYS A 246 7.084 7.156 5.262 1.00 0.00 H new ATOM 0 HZ3 LYS A 246 8.515 7.727 5.974 1.00 0.00 H new ATOM 608 N VAL A 247 7.957 -0.416 4.716 1.00 0.00 N ATOM 609 CA VAL A 247 7.955 -1.754 5.295 1.00 0.00 C ATOM 610 C VAL A 247 9.157 -2.561 4.816 1.00 0.00 C ATOM 611 O VAL A 247 9.537 -2.519 3.646 1.00 0.00 O ATOM 612 CB VAL A 247 6.665 -2.517 4.942 1.00 0.00 C ATOM 613 CG1 VAL A 247 6.718 -3.937 5.484 1.00 0.00 C ATOM 614 CG2 VAL A 247 5.447 -1.779 5.478 1.00 0.00 C ATOM 0 H VAL A 247 7.458 -0.339 3.830 1.00 0.00 H new ATOM 0 HA VAL A 247 8.010 -1.631 6.377 1.00 0.00 H new ATOM 0 HB VAL A 247 6.581 -2.571 3.857 1.00 0.00 H new ATOM 0 HG11 VAL A 247 5.798 -4.460 5.224 1.00 0.00 H new ATOM 0 HG12 VAL A 247 7.569 -4.461 5.048 1.00 0.00 H new ATOM 0 HG13 VAL A 247 6.826 -3.909 6.568 1.00 0.00 H new ATOM 0 HG21 VAL A 247 4.544 -2.332 5.220 1.00 0.00 H new ATOM 0 HG22 VAL A 247 5.522 -1.692 6.562 1.00 0.00 H new ATOM 0 HG23 VAL A 247 5.402 -0.783 5.037 1.00 0.00 H new ATOM 624 N PRO A 248 9.769 -3.315 5.741 1.00 0.00 N ATOM 625 CA PRO A 248 10.937 -4.148 5.436 1.00 0.00 C ATOM 626 C PRO A 248 10.583 -5.342 4.555 1.00 0.00 C ATOM 627 O PRO A 248 9.503 -5.918 4.678 1.00 0.00 O ATOM 628 CB PRO A 248 11.404 -4.621 6.815 1.00 0.00 C ATOM 629 CG PRO A 248 10.184 -4.569 7.667 1.00 0.00 C ATOM 630 CD PRO A 248 9.370 -3.414 7.155 1.00 0.00 C ATOM 0 HA PRO A 248 11.696 -3.599 4.879 1.00 0.00 H new ATOM 0 HB2 PRO A 248 11.812 -5.631 6.770 1.00 0.00 H new ATOM 0 HB3 PRO A 248 12.190 -3.977 7.209 1.00 0.00 H new ATOM 0 HG2 PRO A 248 9.623 -5.501 7.602 1.00 0.00 H new ATOM 0 HG3 PRO A 248 10.446 -4.427 8.715 1.00 0.00 H new ATOM 0 HD2 PRO A 248 8.301 -3.599 7.259 1.00 0.00 H new ATOM 0 HD3 PRO A 248 9.589 -2.495 7.700 1.00 0.00 H new ATOM 638 N GLY A 249 11.502 -5.708 3.666 1.00 0.00 N ATOM 639 CA GLY A 249 11.268 -6.832 2.778 1.00 0.00 C ATOM 640 C GLY A 249 10.626 -6.413 1.470 1.00 0.00 C ATOM 641 O GLY A 249 10.604 -7.180 0.508 1.00 0.00 O ATOM 0 H GLY A 249 12.404 -5.246 3.545 1.00 0.00 H new ATOM 0 HA2 GLY A 249 12.215 -7.331 2.571 1.00 0.00 H new ATOM 0 HA3 GLY A 249 10.627 -7.559 3.278 1.00 0.00 H new ATOM 645 N VAL A 250 10.101 -5.193 1.435 1.00 0.00 N ATOM 646 CA VAL A 250 9.455 -4.673 0.235 1.00 0.00 C ATOM 647 C VAL A 250 10.461 -3.976 -0.673 1.00 0.00 C ATOM 648 O VAL A 250 10.873 -2.845 -0.410 1.00 0.00 O ATOM 649 CB VAL A 250 8.327 -3.685 0.588 1.00 0.00 C ATOM 650 CG1 VAL A 250 7.737 -3.075 -0.674 1.00 0.00 C ATOM 651 CG2 VAL A 250 7.250 -4.377 1.410 1.00 0.00 C ATOM 0 H VAL A 250 10.110 -4.546 2.223 1.00 0.00 H new ATOM 0 HA VAL A 250 9.028 -5.528 -0.290 1.00 0.00 H new ATOM 0 HB VAL A 250 8.748 -2.879 1.189 1.00 0.00 H new ATOM 0 HG11 VAL A 250 6.942 -2.380 -0.405 1.00 0.00 H new ATOM 0 HG12 VAL A 250 8.516 -2.542 -1.219 1.00 0.00 H new ATOM 0 HG13 VAL A 250 7.330 -3.866 -1.304 1.00 0.00 H new ATOM 0 HG21 VAL A 250 6.461 -3.664 1.650 1.00 0.00 H new ATOM 0 HG22 VAL A 250 6.830 -5.204 0.837 1.00 0.00 H new ATOM 0 HG23 VAL A 250 7.686 -4.760 2.333 1.00 0.00 H new ATOM 661 N THR A 251 10.855 -4.657 -1.744 1.00 0.00 N ATOM 662 CA THR A 251 11.814 -4.104 -2.692 1.00 0.00 C ATOM 663 C THR A 251 11.326 -2.774 -3.255 1.00 0.00 C ATOM 664 O THR A 251 12.053 -1.781 -3.246 1.00 0.00 O ATOM 665 CB THR A 251 12.077 -5.076 -3.858 1.00 0.00 C ATOM 666 OG1 THR A 251 10.846 -5.395 -4.517 1.00 0.00 O ATOM 667 CG2 THR A 251 12.736 -6.353 -3.359 1.00 0.00 C ATOM 0 H THR A 251 10.524 -5.593 -1.977 1.00 0.00 H new ATOM 0 HA THR A 251 12.743 -3.945 -2.145 1.00 0.00 H new ATOM 0 HB THR A 251 12.751 -4.589 -4.563 1.00 0.00 H new ATOM 0 HG1 THR A 251 10.902 -5.133 -5.460 1.00 0.00 H new ATOM 0 HG21 THR A 251 12.912 -7.024 -4.200 1.00 0.00 H new ATOM 0 HG22 THR A 251 13.686 -6.110 -2.883 1.00 0.00 H new ATOM 0 HG23 THR A 251 12.083 -6.841 -2.636 1.00 0.00 H new ATOM 675 N ALA A 252 10.090 -2.761 -3.744 1.00 0.00 N ATOM 676 CA ALA A 252 9.504 -1.552 -4.308 1.00 0.00 C ATOM 677 C ALA A 252 7.984 -1.654 -4.367 1.00 0.00 C ATOM 678 O ALA A 252 7.414 -2.717 -4.118 1.00 0.00 O ATOM 679 CB ALA A 252 10.072 -1.288 -5.695 1.00 0.00 C ATOM 0 H ALA A 252 9.475 -3.575 -3.761 1.00 0.00 H new ATOM 0 HA ALA A 252 9.760 -0.716 -3.657 1.00 0.00 H new ATOM 0 HB1 ALA A 252 9.626 -0.382 -6.105 1.00 0.00 H new ATOM 0 HB2 ALA A 252 11.153 -1.162 -5.628 1.00 0.00 H new ATOM 0 HB3 ALA A 252 9.845 -2.131 -6.348 1.00 0.00 H new ATOM 685 N ILE A 253 7.333 -0.544 -4.698 1.00 0.00 N ATOM 686 CA ILE A 253 5.879 -0.510 -4.790 1.00 0.00 C ATOM 687 C ILE A 253 5.421 0.392 -5.931 1.00 0.00 C ATOM 688 O ILE A 253 5.607 1.608 -5.886 1.00 0.00 O ATOM 689 CB ILE A 253 5.243 -0.019 -3.476 1.00 0.00 C ATOM 690 CG1 ILE A 253 5.651 -0.929 -2.315 1.00 0.00 C ATOM 691 CG2 ILE A 253 3.729 0.034 -3.608 1.00 0.00 C ATOM 692 CD1 ILE A 253 5.008 -0.554 -0.999 1.00 0.00 C ATOM 0 H ILE A 253 7.790 0.344 -4.907 1.00 0.00 H new ATOM 0 HA ILE A 253 5.551 -1.531 -4.983 1.00 0.00 H new ATOM 0 HB ILE A 253 5.605 0.988 -3.268 1.00 0.00 H new ATOM 0 HG12 ILE A 253 5.386 -1.958 -2.560 1.00 0.00 H new ATOM 0 HG13 ILE A 253 6.735 -0.897 -2.203 1.00 0.00 H new ATOM 0 HG21 ILE A 253 3.294 0.383 -2.671 1.00 0.00 H new ATOM 0 HG22 ILE A 253 3.458 0.719 -4.411 1.00 0.00 H new ATOM 0 HG23 ILE A 253 3.349 -0.962 -3.836 1.00 0.00 H new ATOM 0 HD11 ILE A 253 5.342 -1.241 -0.222 1.00 0.00 H new ATOM 0 HD12 ILE A 253 5.294 0.463 -0.731 1.00 0.00 H new ATOM 0 HD13 ILE A 253 3.924 -0.613 -1.094 1.00 0.00 H new ATOM 704 N GLU A 254 4.821 -0.212 -6.951 1.00 0.00 N ATOM 705 CA GLU A 254 4.335 0.537 -8.104 1.00 0.00 C ATOM 706 C GLU A 254 2.817 0.436 -8.219 1.00 0.00 C ATOM 707 O GLU A 254 2.206 -0.503 -7.707 1.00 0.00 O ATOM 708 CB GLU A 254 4.991 0.023 -9.388 1.00 0.00 C ATOM 709 CG GLU A 254 6.373 0.602 -9.640 1.00 0.00 C ATOM 710 CD GLU A 254 6.327 1.909 -10.409 1.00 0.00 C ATOM 711 OE1 GLU A 254 6.131 1.866 -11.641 1.00 0.00 O ATOM 712 OE2 GLU A 254 6.486 2.974 -9.777 1.00 0.00 O ATOM 0 H GLU A 254 4.660 -1.218 -7.003 1.00 0.00 H new ATOM 0 HA GLU A 254 4.602 1.584 -7.963 1.00 0.00 H new ATOM 0 HB2 GLU A 254 5.065 -1.063 -9.338 1.00 0.00 H new ATOM 0 HB3 GLU A 254 4.347 0.260 -10.235 1.00 0.00 H new ATOM 0 HG2 GLU A 254 6.875 0.764 -8.686 1.00 0.00 H new ATOM 0 HG3 GLU A 254 6.970 -0.121 -10.195 1.00 0.00 H new ATOM 719 N LEU A 255 2.215 1.408 -8.894 1.00 0.00 N ATOM 720 CA LEU A 255 0.767 1.430 -9.077 1.00 0.00 C ATOM 721 C LEU A 255 0.402 1.934 -10.469 1.00 0.00 C ATOM 722 O LEU A 255 1.095 2.779 -11.036 1.00 0.00 O ATOM 723 CB LEU A 255 0.112 2.313 -8.013 1.00 0.00 C ATOM 724 CG LEU A 255 -1.257 2.891 -8.371 1.00 0.00 C ATOM 725 CD1 LEU A 255 -2.322 1.805 -8.328 1.00 0.00 C ATOM 726 CD2 LEU A 255 -1.618 4.032 -7.431 1.00 0.00 C ATOM 0 H LEU A 255 2.706 2.192 -9.324 1.00 0.00 H new ATOM 0 HA LEU A 255 0.396 0.410 -8.972 1.00 0.00 H new ATOM 0 HB2 LEU A 255 0.010 1.730 -7.098 1.00 0.00 H new ATOM 0 HB3 LEU A 255 0.786 3.140 -7.790 1.00 0.00 H new ATOM 0 HG LEU A 255 -1.209 3.285 -9.386 1.00 0.00 H new ATOM 0 HD11 LEU A 255 -3.290 2.234 -8.585 1.00 0.00 H new ATOM 0 HD12 LEU A 255 -2.071 1.021 -9.042 1.00 0.00 H new ATOM 0 HD13 LEU A 255 -2.369 1.381 -7.325 1.00 0.00 H new ATOM 0 HD21 LEU A 255 -2.596 4.431 -7.701 1.00 0.00 H new ATOM 0 HD22 LEU A 255 -1.647 3.663 -6.406 1.00 0.00 H new ATOM 0 HD23 LEU A 255 -0.870 4.820 -7.512 1.00 0.00 H new ATOM 738 N ASP A 256 -0.692 1.412 -11.013 1.00 0.00 N ATOM 739 CA ASP A 256 -1.152 1.812 -12.338 1.00 0.00 C ATOM 740 C ASP A 256 -2.351 2.749 -12.237 1.00 0.00 C ATOM 741 O ASP A 256 -3.274 2.510 -11.458 1.00 0.00 O ATOM 742 CB ASP A 256 -1.520 0.580 -13.166 1.00 0.00 C ATOM 743 CG ASP A 256 -1.411 0.831 -14.657 1.00 0.00 C ATOM 744 OD1 ASP A 256 -2.009 1.816 -15.138 1.00 0.00 O ATOM 745 OD2 ASP A 256 -0.727 0.043 -15.344 1.00 0.00 O ATOM 0 H ASP A 256 -1.277 0.711 -10.557 1.00 0.00 H new ATOM 0 HA ASP A 256 -0.339 2.344 -12.833 1.00 0.00 H new ATOM 0 HB2 ASP A 256 -0.866 -0.248 -12.891 1.00 0.00 H new ATOM 0 HB3 ASP A 256 -2.538 0.275 -12.925 1.00 0.00 H new ATOM 750 N GLU A 257 -2.330 3.817 -13.028 1.00 0.00 N ATOM 751 CA GLU A 257 -3.415 4.791 -13.025 1.00 0.00 C ATOM 752 C GLU A 257 -4.357 4.560 -14.203 1.00 0.00 C ATOM 753 O GLU A 257 -5.521 4.960 -14.169 1.00 0.00 O ATOM 754 CB GLU A 257 -2.854 6.214 -13.079 1.00 0.00 C ATOM 755 CG GLU A 257 -2.300 6.701 -11.751 1.00 0.00 C ATOM 756 CD GLU A 257 -2.153 8.209 -11.698 1.00 0.00 C ATOM 757 OE1 GLU A 257 -3.185 8.903 -11.596 1.00 0.00 O ATOM 758 OE2 GLU A 257 -1.003 8.694 -11.758 1.00 0.00 O ATOM 0 H GLU A 257 -1.574 4.030 -13.679 1.00 0.00 H new ATOM 0 HA GLU A 257 -3.979 4.665 -12.101 1.00 0.00 H new ATOM 0 HB2 GLU A 257 -2.065 6.256 -13.830 1.00 0.00 H new ATOM 0 HB3 GLU A 257 -3.641 6.894 -13.406 1.00 0.00 H new ATOM 0 HG2 GLU A 257 -2.958 6.375 -10.946 1.00 0.00 H new ATOM 0 HG3 GLU A 257 -1.329 6.239 -11.575 1.00 0.00 H new ATOM 765 N ASP A 258 -3.846 3.911 -15.243 1.00 0.00 N ATOM 766 CA ASP A 258 -4.640 3.625 -16.432 1.00 0.00 C ATOM 767 C ASP A 258 -5.488 2.372 -16.231 1.00 0.00 C ATOM 768 O ASP A 258 -6.497 2.176 -16.909 1.00 0.00 O ATOM 769 CB ASP A 258 -3.731 3.450 -17.650 1.00 0.00 C ATOM 770 CG ASP A 258 -2.826 4.646 -17.872 1.00 0.00 C ATOM 771 OD1 ASP A 258 -3.352 5.753 -18.109 1.00 0.00 O ATOM 772 OD2 ASP A 258 -1.590 4.474 -17.809 1.00 0.00 O ATOM 0 H ASP A 258 -2.885 3.573 -15.287 1.00 0.00 H new ATOM 0 HA ASP A 258 -5.307 4.470 -16.605 1.00 0.00 H new ATOM 0 HB2 ASP A 258 -3.122 2.556 -17.520 1.00 0.00 H new ATOM 0 HB3 ASP A 258 -4.344 3.292 -18.538 1.00 0.00 H new ATOM 777 N THR A 259 -5.070 1.526 -15.295 1.00 0.00 N ATOM 778 CA THR A 259 -5.789 0.291 -15.006 1.00 0.00 C ATOM 779 C THR A 259 -6.246 0.249 -13.552 1.00 0.00 C ATOM 780 O THR A 259 -7.194 -0.456 -13.210 1.00 0.00 O ATOM 781 CB THR A 259 -4.918 -0.947 -15.294 1.00 0.00 C ATOM 782 OG1 THR A 259 -3.734 -0.911 -14.490 1.00 0.00 O ATOM 783 CG2 THR A 259 -4.536 -1.008 -16.766 1.00 0.00 C ATOM 0 H THR A 259 -4.238 1.673 -14.724 1.00 0.00 H new ATOM 0 HA THR A 259 -6.661 0.273 -15.660 1.00 0.00 H new ATOM 0 HB THR A 259 -5.497 -1.837 -15.047 1.00 0.00 H new ATOM 0 HG1 THR A 259 -3.187 -1.702 -14.678 1.00 0.00 H new ATOM 0 HG21 THR A 259 -3.921 -1.890 -16.946 1.00 0.00 H new ATOM 0 HG22 THR A 259 -5.439 -1.065 -17.374 1.00 0.00 H new ATOM 0 HG23 THR A 259 -3.974 -0.113 -17.033 1.00 0.00 H new ATOM 791 N GLY A 260 -5.565 1.009 -12.700 1.00 0.00 N ATOM 792 CA GLY A 260 -5.917 1.044 -11.292 1.00 0.00 C ATOM 793 C GLY A 260 -5.547 -0.237 -10.570 1.00 0.00 C ATOM 794 O GLY A 260 -6.355 -0.796 -9.827 1.00 0.00 O ATOM 0 H GLY A 260 -4.776 1.601 -12.959 1.00 0.00 H new ATOM 0 HA2 GLY A 260 -5.413 1.885 -10.815 1.00 0.00 H new ATOM 0 HA3 GLY A 260 -6.989 1.217 -11.193 1.00 0.00 H new ATOM 798 N THR A 261 -4.323 -0.705 -10.789 1.00 0.00 N ATOM 799 CA THR A 261 -3.848 -1.929 -10.156 1.00 0.00 C ATOM 800 C THR A 261 -2.584 -1.674 -9.344 1.00 0.00 C ATOM 801 O THR A 261 -1.588 -1.173 -9.867 1.00 0.00 O ATOM 802 CB THR A 261 -3.562 -3.026 -11.199 1.00 0.00 C ATOM 803 OG1 THR A 261 -4.741 -3.291 -11.968 1.00 0.00 O ATOM 804 CG2 THR A 261 -3.093 -4.306 -10.524 1.00 0.00 C ATOM 0 H THR A 261 -3.642 -0.255 -11.400 1.00 0.00 H new ATOM 0 HA THR A 261 -4.641 -2.269 -9.490 1.00 0.00 H new ATOM 0 HB THR A 261 -2.770 -2.671 -11.859 1.00 0.00 H new ATOM 0 HG1 THR A 261 -4.550 -3.988 -12.630 1.00 0.00 H new ATOM 0 HG21 THR A 261 -2.897 -5.066 -11.281 1.00 0.00 H new ATOM 0 HG22 THR A 261 -2.179 -4.108 -9.964 1.00 0.00 H new ATOM 0 HG23 THR A 261 -3.866 -4.663 -9.843 1.00 0.00 H new ATOM 812 N PHE A 262 -2.629 -2.023 -8.063 1.00 0.00 N ATOM 813 CA PHE A 262 -1.486 -1.831 -7.177 1.00 0.00 C ATOM 814 C PHE A 262 -0.544 -3.030 -7.238 1.00 0.00 C ATOM 815 O PHE A 262 -0.950 -4.165 -6.986 1.00 0.00 O ATOM 816 CB PHE A 262 -1.959 -1.612 -5.739 1.00 0.00 C ATOM 817 CG PHE A 262 -2.199 -0.168 -5.400 1.00 0.00 C ATOM 818 CD1 PHE A 262 -1.135 0.691 -5.177 1.00 0.00 C ATOM 819 CD2 PHE A 262 -3.489 0.330 -5.305 1.00 0.00 C ATOM 820 CE1 PHE A 262 -1.353 2.019 -4.864 1.00 0.00 C ATOM 821 CE2 PHE A 262 -3.713 1.658 -4.993 1.00 0.00 C ATOM 822 CZ PHE A 262 -2.644 2.503 -4.774 1.00 0.00 C ATOM 0 H PHE A 262 -3.445 -2.440 -7.615 1.00 0.00 H new ATOM 0 HA PHE A 262 -0.943 -0.947 -7.511 1.00 0.00 H new ATOM 0 HB2 PHE A 262 -2.880 -2.172 -5.579 1.00 0.00 H new ATOM 0 HB3 PHE A 262 -1.215 -2.019 -5.054 1.00 0.00 H new ATOM 0 HD1 PHE A 262 -0.124 0.318 -5.249 1.00 0.00 H new ATOM 0 HD2 PHE A 262 -4.329 -0.327 -5.477 1.00 0.00 H new ATOM 0 HE1 PHE A 262 -0.515 2.678 -4.690 1.00 0.00 H new ATOM 0 HE2 PHE A 262 -4.723 2.034 -4.921 1.00 0.00 H new ATOM 0 HZ PHE A 262 -2.816 3.541 -4.533 1.00 0.00 H new ATOM 832 N ARG A 263 0.715 -2.769 -7.574 1.00 0.00 N ATOM 833 CA ARG A 263 1.715 -3.826 -7.669 1.00 0.00 C ATOM 834 C ARG A 263 2.780 -3.666 -6.588 1.00 0.00 C ATOM 835 O ARG A 263 3.518 -2.681 -6.571 1.00 0.00 O ATOM 836 CB ARG A 263 2.371 -3.813 -9.051 1.00 0.00 C ATOM 837 CG ARG A 263 1.595 -4.593 -10.101 1.00 0.00 C ATOM 838 CD ARG A 263 2.270 -4.520 -11.461 1.00 0.00 C ATOM 839 NE ARG A 263 1.386 -4.963 -12.536 1.00 0.00 N ATOM 840 CZ ARG A 263 0.460 -4.190 -13.091 1.00 0.00 C ATOM 841 NH1 ARG A 263 0.298 -2.941 -12.676 1.00 0.00 N ATOM 842 NH2 ARG A 263 -0.306 -4.665 -14.064 1.00 0.00 N ATOM 0 H ARG A 263 1.067 -1.835 -7.785 1.00 0.00 H new ATOM 0 HA ARG A 263 1.212 -4.782 -7.521 1.00 0.00 H new ATOM 0 HB2 ARG A 263 2.478 -2.780 -9.383 1.00 0.00 H new ATOM 0 HB3 ARG A 263 3.376 -4.228 -8.971 1.00 0.00 H new ATOM 0 HG2 ARG A 263 1.509 -5.635 -9.792 1.00 0.00 H new ATOM 0 HG3 ARG A 263 0.582 -4.197 -10.175 1.00 0.00 H new ATOM 0 HD2 ARG A 263 2.589 -3.495 -11.653 1.00 0.00 H new ATOM 0 HD3 ARG A 263 3.168 -5.137 -11.453 1.00 0.00 H new ATOM 0 HE ARG A 263 1.485 -5.918 -12.879 1.00 0.00 H new ATOM 0 HH11 ARG A 263 0.886 -2.572 -11.929 1.00 0.00 H new ATOM 0 HH12 ARG A 263 -0.414 -2.350 -13.104 1.00 0.00 H new ATOM 0 HH21 ARG A 263 -0.184 -5.625 -14.387 1.00 0.00 H new ATOM 0 HH22 ARG A 263 -1.017 -4.070 -14.490 1.00 0.00 H new ATOM 856 N ILE A 264 2.851 -4.641 -5.687 1.00 0.00 N ATOM 857 CA ILE A 264 3.825 -4.608 -4.604 1.00 0.00 C ATOM 858 C ILE A 264 4.924 -5.643 -4.821 1.00 0.00 C ATOM 859 O ILE A 264 4.657 -6.768 -5.244 1.00 0.00 O ATOM 860 CB ILE A 264 3.158 -4.863 -3.239 1.00 0.00 C ATOM 861 CG1 ILE A 264 1.817 -4.130 -3.158 1.00 0.00 C ATOM 862 CG2 ILE A 264 4.078 -4.424 -2.110 1.00 0.00 C ATOM 863 CD1 ILE A 264 1.098 -4.331 -1.843 1.00 0.00 C ATOM 0 H ILE A 264 2.246 -5.462 -5.686 1.00 0.00 H new ATOM 0 HA ILE A 264 4.264 -3.610 -4.605 1.00 0.00 H new ATOM 0 HB ILE A 264 2.973 -5.932 -3.135 1.00 0.00 H new ATOM 0 HG12 ILE A 264 1.985 -3.064 -3.312 1.00 0.00 H new ATOM 0 HG13 ILE A 264 1.175 -4.472 -3.970 1.00 0.00 H new ATOM 0 HG21 ILE A 264 3.593 -4.610 -1.152 1.00 0.00 H new ATOM 0 HG22 ILE A 264 5.010 -4.987 -2.160 1.00 0.00 H new ATOM 0 HG23 ILE A 264 4.291 -3.360 -2.208 1.00 0.00 H new ATOM 0 HD11 ILE A 264 0.156 -3.783 -1.856 1.00 0.00 H new ATOM 0 HD12 ILE A 264 0.899 -5.392 -1.696 1.00 0.00 H new ATOM 0 HD13 ILE A 264 1.721 -3.962 -1.028 1.00 0.00 H new ATOM 875 N TYR A 265 6.160 -5.256 -4.527 1.00 0.00 N ATOM 876 CA TYR A 265 7.300 -6.150 -4.691 1.00 0.00 C ATOM 877 C TYR A 265 8.001 -6.389 -3.357 1.00 0.00 C ATOM 878 O TYR A 265 8.463 -5.451 -2.708 1.00 0.00 O ATOM 879 CB TYR A 265 8.289 -5.569 -5.703 1.00 0.00 C ATOM 880 CG TYR A 265 7.680 -5.302 -7.060 1.00 0.00 C ATOM 881 CD1 TYR A 265 7.034 -4.101 -7.329 1.00 0.00 C ATOM 882 CD2 TYR A 265 7.749 -6.249 -8.074 1.00 0.00 C ATOM 883 CE1 TYR A 265 6.475 -3.852 -8.567 1.00 0.00 C ATOM 884 CE2 TYR A 265 7.194 -6.009 -9.316 1.00 0.00 C ATOM 885 CZ TYR A 265 6.558 -4.809 -9.558 1.00 0.00 C ATOM 886 OH TYR A 265 6.003 -4.566 -10.793 1.00 0.00 O ATOM 0 H TYR A 265 6.398 -4.329 -4.174 1.00 0.00 H new ATOM 0 HA TYR A 265 6.930 -7.106 -5.063 1.00 0.00 H new ATOM 0 HB2 TYR A 265 8.696 -4.638 -5.307 1.00 0.00 H new ATOM 0 HB3 TYR A 265 9.125 -6.259 -5.819 1.00 0.00 H new ATOM 0 HD1 TYR A 265 6.968 -3.349 -6.556 1.00 0.00 H new ATOM 0 HD2 TYR A 265 8.246 -7.190 -7.888 1.00 0.00 H new ATOM 0 HE1 TYR A 265 5.976 -2.914 -8.759 1.00 0.00 H new ATOM 0 HE2 TYR A 265 7.258 -6.756 -10.093 1.00 0.00 H new ATOM 0 HH TYR A 265 6.150 -5.340 -11.376 1.00 0.00 H new ATOM 896 N GLY A 266 8.078 -7.653 -2.954 1.00 0.00 N ATOM 897 CA GLY A 266 8.724 -7.995 -1.700 1.00 0.00 C ATOM 898 C GLY A 266 9.462 -9.316 -1.769 1.00 0.00 C ATOM 899 O GLY A 266 9.024 -10.244 -2.449 1.00 0.00 O ATOM 0 H GLY A 266 7.704 -8.447 -3.474 1.00 0.00 H new ATOM 0 HA2 GLY A 266 9.424 -7.205 -1.429 1.00 0.00 H new ATOM 0 HA3 GLY A 266 7.975 -8.042 -0.910 1.00 0.00 H new ATOM 903 N GLU A 267 10.587 -9.402 -1.065 1.00 0.00 N ATOM 904 CA GLU A 267 11.388 -10.620 -1.052 1.00 0.00 C ATOM 905 C GLU A 267 10.598 -11.786 -0.466 1.00 0.00 C ATOM 906 O GLU A 267 10.769 -12.934 -0.875 1.00 0.00 O ATOM 907 CB GLU A 267 12.672 -10.404 -0.248 1.00 0.00 C ATOM 908 CG GLU A 267 13.755 -9.665 -1.016 1.00 0.00 C ATOM 909 CD GLU A 267 14.973 -9.367 -0.165 1.00 0.00 C ATOM 910 OE1 GLU A 267 15.528 -10.314 0.430 1.00 0.00 O ATOM 911 OE2 GLU A 267 15.372 -8.185 -0.094 1.00 0.00 O ATOM 0 H GLU A 267 10.964 -8.643 -0.497 1.00 0.00 H new ATOM 0 HA GLU A 267 11.649 -10.863 -2.082 1.00 0.00 H new ATOM 0 HB2 GLU A 267 12.434 -9.845 0.657 1.00 0.00 H new ATOM 0 HB3 GLU A 267 13.060 -11.372 0.069 1.00 0.00 H new ATOM 0 HG2 GLU A 267 14.055 -10.261 -1.878 1.00 0.00 H new ATOM 0 HG3 GLU A 267 13.348 -8.730 -1.402 1.00 0.00 H new ATOM 918 N SER A 268 9.731 -11.482 0.495 1.00 0.00 N ATOM 919 CA SER A 268 8.916 -12.504 1.142 1.00 0.00 C ATOM 920 C SER A 268 7.458 -12.064 1.225 1.00 0.00 C ATOM 921 O SER A 268 7.161 -10.924 1.580 1.00 0.00 O ATOM 922 CB SER A 268 9.452 -12.801 2.543 1.00 0.00 C ATOM 923 OG SER A 268 10.554 -13.690 2.490 1.00 0.00 O ATOM 0 H SER A 268 9.575 -10.536 0.843 1.00 0.00 H new ATOM 0 HA SER A 268 8.969 -13.411 0.540 1.00 0.00 H new ATOM 0 HB2 SER A 268 9.754 -11.871 3.025 1.00 0.00 H new ATOM 0 HB3 SER A 268 8.660 -13.234 3.154 1.00 0.00 H new ATOM 0 HG SER A 268 10.879 -13.862 3.398 1.00 0.00 H new ATOM 929 N ALA A 269 6.551 -12.978 0.894 1.00 0.00 N ATOM 930 CA ALA A 269 5.124 -12.686 0.933 1.00 0.00 C ATOM 931 C ALA A 269 4.744 -11.974 2.227 1.00 0.00 C ATOM 932 O ALA A 269 3.767 -11.226 2.271 1.00 0.00 O ATOM 933 CB ALA A 269 4.319 -13.968 0.777 1.00 0.00 C ATOM 0 H ALA A 269 6.780 -13.926 0.596 1.00 0.00 H new ATOM 0 HA ALA A 269 4.891 -12.020 0.102 1.00 0.00 H new ATOM 0 HB1 ALA A 269 3.255 -13.735 0.808 1.00 0.00 H new ATOM 0 HB2 ALA A 269 4.561 -14.435 -0.178 1.00 0.00 H new ATOM 0 HB3 ALA A 269 4.564 -14.653 1.589 1.00 0.00 H new ATOM 939 N ASP A 270 5.520 -12.214 3.278 1.00 0.00 N ATOM 940 CA ASP A 270 5.265 -11.595 4.573 1.00 0.00 C ATOM 941 C ASP A 270 5.345 -10.075 4.475 1.00 0.00 C ATOM 942 O ASP A 270 4.537 -9.361 5.068 1.00 0.00 O ATOM 943 CB ASP A 270 6.265 -12.105 5.612 1.00 0.00 C ATOM 944 CG ASP A 270 6.002 -11.542 6.995 1.00 0.00 C ATOM 945 OD1 ASP A 270 4.817 -11.399 7.361 1.00 0.00 O ATOM 946 OD2 ASP A 270 6.981 -11.242 7.710 1.00 0.00 O ATOM 0 H ASP A 270 6.331 -12.833 3.258 1.00 0.00 H new ATOM 0 HA ASP A 270 4.257 -11.868 4.886 1.00 0.00 H new ATOM 0 HB2 ASP A 270 6.220 -13.193 5.652 1.00 0.00 H new ATOM 0 HB3 ASP A 270 7.275 -11.839 5.301 1.00 0.00 H new ATOM 951 N ALA A 271 6.326 -9.587 3.723 1.00 0.00 N ATOM 952 CA ALA A 271 6.511 -8.152 3.546 1.00 0.00 C ATOM 953 C ALA A 271 5.400 -7.556 2.688 1.00 0.00 C ATOM 954 O ALA A 271 4.614 -6.732 3.156 1.00 0.00 O ATOM 955 CB ALA A 271 7.870 -7.868 2.925 1.00 0.00 C ATOM 0 H ALA A 271 7.005 -10.164 3.227 1.00 0.00 H new ATOM 0 HA ALA A 271 6.467 -7.682 4.528 1.00 0.00 H new ATOM 0 HB1 ALA A 271 7.995 -6.793 2.799 1.00 0.00 H new ATOM 0 HB2 ALA A 271 8.655 -8.250 3.577 1.00 0.00 H new ATOM 0 HB3 ALA A 271 7.935 -8.358 1.953 1.00 0.00 H new ATOM 961 N VAL A 272 5.341 -7.978 1.429 1.00 0.00 N ATOM 962 CA VAL A 272 4.325 -7.486 0.505 1.00 0.00 C ATOM 963 C VAL A 272 2.933 -7.580 1.119 1.00 0.00 C ATOM 964 O VAL A 272 2.056 -6.768 0.823 1.00 0.00 O ATOM 965 CB VAL A 272 4.344 -8.272 -0.820 1.00 0.00 C ATOM 966 CG1 VAL A 272 5.323 -7.642 -1.799 1.00 0.00 C ATOM 967 CG2 VAL A 272 4.693 -9.731 -0.569 1.00 0.00 C ATOM 0 H VAL A 272 5.984 -8.659 1.025 1.00 0.00 H new ATOM 0 HA VAL A 272 4.560 -6.441 0.302 1.00 0.00 H new ATOM 0 HB VAL A 272 3.348 -8.232 -1.261 1.00 0.00 H new ATOM 0 HG11 VAL A 272 5.324 -8.210 -2.729 1.00 0.00 H new ATOM 0 HG12 VAL A 272 5.024 -6.614 -2.002 1.00 0.00 H new ATOM 0 HG13 VAL A 272 6.324 -7.650 -1.368 1.00 0.00 H new ATOM 0 HG21 VAL A 272 4.702 -10.271 -1.516 1.00 0.00 H new ATOM 0 HG22 VAL A 272 5.677 -9.795 -0.105 1.00 0.00 H new ATOM 0 HG23 VAL A 272 3.950 -10.174 0.094 1.00 0.00 H new ATOM 977 N LYS A 273 2.735 -8.576 1.976 1.00 0.00 N ATOM 978 CA LYS A 273 1.450 -8.777 2.634 1.00 0.00 C ATOM 979 C LYS A 273 1.172 -7.661 3.636 1.00 0.00 C ATOM 980 O LYS A 273 0.122 -7.019 3.590 1.00 0.00 O ATOM 981 CB LYS A 273 1.423 -10.132 3.344 1.00 0.00 C ATOM 982 CG LYS A 273 1.113 -11.297 2.419 1.00 0.00 C ATOM 983 CD LYS A 273 1.459 -12.628 3.064 1.00 0.00 C ATOM 984 CE LYS A 273 0.482 -12.980 4.176 1.00 0.00 C ATOM 985 NZ LYS A 273 -0.693 -13.736 3.663 1.00 0.00 N ATOM 0 H LYS A 273 3.450 -9.258 2.231 1.00 0.00 H new ATOM 0 HA LYS A 273 0.672 -8.759 1.870 1.00 0.00 H new ATOM 0 HB2 LYS A 273 2.389 -10.303 3.819 1.00 0.00 H new ATOM 0 HB3 LYS A 273 0.678 -10.102 4.139 1.00 0.00 H new ATOM 0 HG2 LYS A 273 0.055 -11.283 2.157 1.00 0.00 H new ATOM 0 HG3 LYS A 273 1.673 -11.185 1.491 1.00 0.00 H new ATOM 0 HD2 LYS A 273 1.449 -13.413 2.308 1.00 0.00 H new ATOM 0 HD3 LYS A 273 2.471 -12.586 3.467 1.00 0.00 H new ATOM 0 HE2 LYS A 273 0.993 -13.574 4.934 1.00 0.00 H new ATOM 0 HE3 LYS A 273 0.141 -12.066 4.663 1.00 0.00 H new ATOM 0 HZ1 LYS A 273 -1.335 -13.957 4.451 1.00 0.00 H new ATOM 0 HZ2 LYS A 273 -1.196 -13.160 2.958 1.00 0.00 H new ATOM 0 HZ3 LYS A 273 -0.371 -14.620 3.221 1.00 0.00 H new ATOM 999 N LYS A 274 2.119 -7.434 4.540 1.00 0.00 N ATOM 1000 CA LYS A 274 1.978 -6.393 5.552 1.00 0.00 C ATOM 1001 C LYS A 274 1.814 -5.022 4.903 1.00 0.00 C ATOM 1002 O LYS A 274 0.982 -4.221 5.327 1.00 0.00 O ATOM 1003 CB LYS A 274 3.195 -6.388 6.480 1.00 0.00 C ATOM 1004 CG LYS A 274 2.975 -5.611 7.766 1.00 0.00 C ATOM 1005 CD LYS A 274 4.276 -5.035 8.299 1.00 0.00 C ATOM 1006 CE LYS A 274 5.052 -6.065 9.106 1.00 0.00 C ATOM 1007 NZ LYS A 274 5.950 -6.882 8.243 1.00 0.00 N ATOM 0 H LYS A 274 2.993 -7.957 4.593 1.00 0.00 H new ATOM 0 HA LYS A 274 1.084 -6.608 6.137 1.00 0.00 H new ATOM 0 HB2 LYS A 274 3.457 -7.417 6.727 1.00 0.00 H new ATOM 0 HB3 LYS A 274 4.045 -5.961 5.948 1.00 0.00 H new ATOM 0 HG2 LYS A 274 2.265 -4.804 7.587 1.00 0.00 H new ATOM 0 HG3 LYS A 274 2.531 -6.266 8.516 1.00 0.00 H new ATOM 0 HD2 LYS A 274 4.888 -4.686 7.468 1.00 0.00 H new ATOM 0 HD3 LYS A 274 4.062 -4.168 8.924 1.00 0.00 H new ATOM 0 HE2 LYS A 274 5.643 -5.559 9.869 1.00 0.00 H new ATOM 0 HE3 LYS A 274 4.354 -6.720 9.627 1.00 0.00 H new ATOM 0 HZ1 LYS A 274 6.638 -7.387 8.838 1.00 0.00 H new ATOM 0 HZ2 LYS A 274 5.384 -7.571 7.707 1.00 0.00 H new ATOM 0 HZ3 LYS A 274 6.456 -6.260 7.581 1.00 0.00 H new ATOM 1021 N ALA A 275 2.612 -4.761 3.873 1.00 0.00 N ATOM 1022 CA ALA A 275 2.552 -3.488 3.164 1.00 0.00 C ATOM 1023 C ALA A 275 1.229 -3.335 2.422 1.00 0.00 C ATOM 1024 O ALA A 275 0.700 -2.230 2.299 1.00 0.00 O ATOM 1025 CB ALA A 275 3.720 -3.368 2.196 1.00 0.00 C ATOM 0 H ALA A 275 3.307 -5.413 3.511 1.00 0.00 H new ATOM 0 HA ALA A 275 2.620 -2.687 3.900 1.00 0.00 H new ATOM 0 HB1 ALA A 275 3.663 -2.413 1.673 1.00 0.00 H new ATOM 0 HB2 ALA A 275 4.658 -3.424 2.749 1.00 0.00 H new ATOM 0 HB3 ALA A 275 3.677 -4.181 1.471 1.00 0.00 H new ATOM 1031 N ARG A 276 0.699 -4.450 1.929 1.00 0.00 N ATOM 1032 CA ARG A 276 -0.561 -4.438 1.197 1.00 0.00 C ATOM 1033 C ARG A 276 -1.699 -3.934 2.081 1.00 0.00 C ATOM 1034 O ARG A 276 -2.548 -3.163 1.637 1.00 0.00 O ATOM 1035 CB ARG A 276 -0.888 -5.840 0.679 1.00 0.00 C ATOM 1036 CG ARG A 276 -2.285 -5.963 0.093 1.00 0.00 C ATOM 1037 CD ARG A 276 -2.637 -7.412 -0.208 1.00 0.00 C ATOM 1038 NE ARG A 276 -2.994 -8.150 1.001 1.00 0.00 N ATOM 1039 CZ ARG A 276 -3.414 -9.411 0.994 1.00 0.00 C ATOM 1040 NH1 ARG A 276 -3.528 -10.069 -0.151 1.00 0.00 N ATOM 1041 NH2 ARG A 276 -3.720 -10.015 2.135 1.00 0.00 N ATOM 0 H ARG A 276 1.123 -5.373 2.024 1.00 0.00 H new ATOM 0 HA ARG A 276 -0.453 -3.760 0.350 1.00 0.00 H new ATOM 0 HB2 ARG A 276 -0.158 -6.116 -0.082 1.00 0.00 H new ATOM 0 HB3 ARG A 276 -0.782 -6.554 1.496 1.00 0.00 H new ATOM 0 HG2 ARG A 276 -3.012 -5.548 0.792 1.00 0.00 H new ATOM 0 HG3 ARG A 276 -2.350 -5.374 -0.822 1.00 0.00 H new ATOM 0 HD2 ARG A 276 -3.469 -7.445 -0.912 1.00 0.00 H new ATOM 0 HD3 ARG A 276 -1.790 -7.898 -0.693 1.00 0.00 H new ATOM 0 HE ARG A 276 -2.917 -7.672 1.899 1.00 0.00 H new ATOM 0 HH11 ARG A 276 -3.293 -9.608 -1.030 1.00 0.00 H new ATOM 0 HH12 ARG A 276 -3.851 -11.037 -0.153 1.00 0.00 H new ATOM 0 HH21 ARG A 276 -3.633 -9.512 3.018 1.00 0.00 H new ATOM 0 HH22 ARG A 276 -4.042 -10.983 2.129 1.00 0.00 H new ATOM 1055 N GLY A 277 -1.707 -4.375 3.335 1.00 0.00 N ATOM 1056 CA GLY A 277 -2.744 -3.959 4.261 1.00 0.00 C ATOM 1057 C GLY A 277 -2.907 -2.453 4.310 1.00 0.00 C ATOM 1058 O GLY A 277 -3.945 -1.947 4.738 1.00 0.00 O ATOM 0 H GLY A 277 -1.014 -5.013 3.726 1.00 0.00 H new ATOM 0 HA2 GLY A 277 -3.691 -4.415 3.970 1.00 0.00 H new ATOM 0 HA3 GLY A 277 -2.506 -4.328 5.258 1.00 0.00 H new ATOM 1062 N PHE A 278 -1.879 -1.733 3.871 1.00 0.00 N ATOM 1063 CA PHE A 278 -1.912 -0.276 3.869 1.00 0.00 C ATOM 1064 C PHE A 278 -2.581 0.252 2.603 1.00 0.00 C ATOM 1065 O PHE A 278 -3.343 1.219 2.647 1.00 0.00 O ATOM 1066 CB PHE A 278 -0.494 0.287 3.983 1.00 0.00 C ATOM 1067 CG PHE A 278 0.093 0.162 5.360 1.00 0.00 C ATOM 1068 CD1 PHE A 278 -0.559 0.703 6.457 1.00 0.00 C ATOM 1069 CD2 PHE A 278 1.295 -0.497 5.558 1.00 0.00 C ATOM 1070 CE1 PHE A 278 -0.021 0.590 7.725 1.00 0.00 C ATOM 1071 CE2 PHE A 278 1.837 -0.614 6.824 1.00 0.00 C ATOM 1072 CZ PHE A 278 1.178 -0.071 7.909 1.00 0.00 C ATOM 0 H PHE A 278 -1.013 -2.136 3.512 1.00 0.00 H new ATOM 0 HA PHE A 278 -2.496 0.050 4.730 1.00 0.00 H new ATOM 0 HB2 PHE A 278 0.152 -0.230 3.273 1.00 0.00 H new ATOM 0 HB3 PHE A 278 -0.505 1.338 3.696 1.00 0.00 H new ATOM 0 HD1 PHE A 278 -1.498 1.219 6.319 1.00 0.00 H new ATOM 0 HD2 PHE A 278 1.815 -0.924 4.713 1.00 0.00 H new ATOM 0 HE1 PHE A 278 -0.538 1.018 8.571 1.00 0.00 H new ATOM 0 HE2 PHE A 278 2.775 -1.130 6.964 1.00 0.00 H new ATOM 0 HZ PHE A 278 1.599 -0.163 8.899 1.00 0.00 H new ATOM 1082 N LEU A 279 -2.290 -0.389 1.477 1.00 0.00 N ATOM 1083 CA LEU A 279 -2.862 0.015 0.197 1.00 0.00 C ATOM 1084 C LEU A 279 -4.210 -0.661 -0.034 1.00 0.00 C ATOM 1085 O LEU A 279 -4.801 -0.537 -1.106 1.00 0.00 O ATOM 1086 CB LEU A 279 -1.903 -0.330 -0.944 1.00 0.00 C ATOM 1087 CG LEU A 279 -0.658 0.549 -1.063 1.00 0.00 C ATOM 1088 CD1 LEU A 279 0.313 -0.034 -2.078 1.00 0.00 C ATOM 1089 CD2 LEU A 279 -1.043 1.971 -1.446 1.00 0.00 C ATOM 0 H LEU A 279 -1.661 -1.191 1.424 1.00 0.00 H new ATOM 0 HA LEU A 279 -3.016 1.094 0.220 1.00 0.00 H new ATOM 0 HB2 LEU A 279 -1.582 -1.365 -0.822 1.00 0.00 H new ATOM 0 HB3 LEU A 279 -2.453 -0.275 -1.883 1.00 0.00 H new ATOM 0 HG LEU A 279 -0.163 0.577 -0.092 1.00 0.00 H new ATOM 0 HD11 LEU A 279 1.193 0.606 -2.149 1.00 0.00 H new ATOM 0 HD12 LEU A 279 0.615 -1.032 -1.761 1.00 0.00 H new ATOM 0 HD13 LEU A 279 -0.172 -0.094 -3.053 1.00 0.00 H new ATOM 0 HD21 LEU A 279 -0.144 2.582 -1.526 1.00 0.00 H new ATOM 0 HD22 LEU A 279 -1.562 1.962 -2.404 1.00 0.00 H new ATOM 0 HD23 LEU A 279 -1.699 2.389 -0.682 1.00 0.00 H new ATOM 1101 N GLU A 280 -4.690 -1.375 0.979 1.00 0.00 N ATOM 1102 CA GLU A 280 -5.969 -2.069 0.886 1.00 0.00 C ATOM 1103 C GLU A 280 -7.077 -1.112 0.456 1.00 0.00 C ATOM 1104 O GLU A 280 -7.032 0.081 0.754 1.00 0.00 O ATOM 1105 CB GLU A 280 -6.326 -2.711 2.228 1.00 0.00 C ATOM 1106 CG GLU A 280 -5.602 -4.021 2.488 1.00 0.00 C ATOM 1107 CD GLU A 280 -6.182 -5.175 1.694 1.00 0.00 C ATOM 1108 OE1 GLU A 280 -6.674 -4.934 0.572 1.00 0.00 O ATOM 1109 OE2 GLU A 280 -6.145 -6.319 2.195 1.00 0.00 O ATOM 0 H GLU A 280 -4.213 -1.488 1.873 1.00 0.00 H new ATOM 0 HA GLU A 280 -5.875 -2.851 0.132 1.00 0.00 H new ATOM 0 HB2 GLU A 280 -6.092 -2.011 3.030 1.00 0.00 H new ATOM 0 HB3 GLU A 280 -7.401 -2.887 2.262 1.00 0.00 H new ATOM 0 HG2 GLU A 280 -4.548 -3.905 2.237 1.00 0.00 H new ATOM 0 HG3 GLU A 280 -5.652 -4.255 3.551 1.00 0.00 H new