USER MOD reduce.3.24.130724 H: found=0, std=0, add=491, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 489 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 338 HIS : no HD1:sc= 0.43 K(o=0.99,f=-2.3) USER MOD Set 1.2: A 363 SER OG : rot 83:sc= 0.563 USER MOD Set 2.1: A 301 THR OG1 : rot 180:sc=-0.00238 USER MOD Set 2.2: A 303 ASN : amide:sc= -2.45! K(o=-2.5!,f=1.2) USER MOD Set 3.1: A 290 CYS SG : rot 16:sc= 0.957 USER MOD Set 3.2: A 362 ASN : amide:sc= -0.385 K(o=0.57,f=1.8) USER MOD Single : A 289 HIS : no HE2:sc= -3.17! K(o=-3.2!,f=-2.6) USER MOD Single : A 292 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 293 MET CE :methyl 180:sc= -2.29 (180deg=-2.29) USER MOD Single : A 306 TYR OH : rot 180:sc= 0 USER MOD Single : A 307 ASN : amide:sc= 0.318 K(o=0.32,f=-0.34) USER MOD Single : A 310 SER OG : rot 33:sc= 1.25 USER MOD Single : A 313 ASN : amide:sc= -0.0448 X(o=-0.045,f=-0.28) USER MOD Single : A 318 HIS : no HE2:sc= -0.068 K(o=-0.068,f=-3.5!) USER MOD Single : A 337 THR OG1 : rot -19:sc= 1.25 USER MOD Single : A 345 MET CE :methyl 163:sc= -1.21 (180deg=-2.03) USER MOD Single : A 346 SER OG : rot 180:sc= 0 USER MOD Single : A 347 LYS NZ :NH3+ 170:sc= 0.836 (180deg=0.747) USER MOD Single : A 351 ASN : amide:sc= 0.17 K(o=0.17,f=-4.2!) USER MOD Single : A 352 MET CE :methyl 162:sc= 0 (180deg=-0.365) USER MOD Single : A 353 GLN : amide:sc= -0.0743 X(o=-0.074,f=0) USER MOD Single : A 354 HIS : no HD1:sc= -1.98 K(o=-2,f=-0.44) USER MOD Single : A 356 TYR OH : rot -59:sc= 0.137 USER MOD Single : A 364 THR OG1 : rot 180:sc=-0.00178 USER MOD Single : A 365 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 159 N HIS A 289 -4.197 5.421 -6.418 1.00 0.00 N ATOM 160 CA HIS A 289 -2.774 5.470 -6.120 1.00 0.00 C ATOM 161 C HIS A 289 -2.441 4.329 -5.168 1.00 0.00 C ATOM 162 O HIS A 289 -3.232 4.046 -4.272 1.00 0.00 O ATOM 163 CB HIS A 289 -2.490 6.842 -5.502 1.00 0.00 C ATOM 164 CG HIS A 289 -2.862 7.962 -6.439 1.00 0.00 C ATOM 165 ND1 HIS A 289 -2.003 8.705 -7.213 1.00 0.00 N ATOM 166 CD2 HIS A 289 -4.127 8.427 -6.682 1.00 0.00 C ATOM 167 CE1 HIS A 289 -2.739 9.591 -7.906 1.00 0.00 C ATOM 168 NE2 HIS A 289 -4.044 9.467 -7.612 1.00 0.00 N ATOM 0 HA HIS A 289 -2.155 5.348 -7.009 1.00 0.00 H new ATOM 0 HB2 HIS A 289 -3.049 6.945 -4.572 1.00 0.00 H new ATOM 0 HB3 HIS A 289 -1.432 6.915 -5.249 1.00 0.00 H new ATOM 0 HD1 HIS A 289 -0.989 8.603 -7.254 1.00 0.00 H new ATOM 0 HD2 HIS A 289 -5.035 8.053 -6.231 1.00 0.00 H new ATOM 0 HE1 HIS A 289 -2.335 10.307 -8.606 1.00 0.00 H new ATOM 176 N CYS A 290 -1.292 3.661 -5.333 1.00 0.00 N ATOM 177 CA CYS A 290 -1.025 2.485 -4.522 1.00 0.00 C ATOM 178 C CYS A 290 0.444 2.331 -4.139 1.00 0.00 C ATOM 179 O CYS A 290 1.314 3.049 -4.624 1.00 0.00 O ATOM 180 CB CYS A 290 -1.542 1.245 -5.259 1.00 0.00 C ATOM 181 SG CYS A 290 -0.902 1.195 -6.953 1.00 0.00 S ATOM 0 H CYS A 290 -0.560 3.909 -5.999 1.00 0.00 H new ATOM 0 HA CYS A 290 -1.555 2.606 -3.577 1.00 0.00 H new ATOM 0 HB2 CYS A 290 -1.239 0.345 -4.724 1.00 0.00 H new ATOM 0 HB3 CYS A 290 -2.632 1.254 -5.277 1.00 0.00 H new ATOM 0 HG CYS A 290 0.107 2.008 -7.060 1.00 0.00 H new ATOM 187 N VAL A 291 0.689 1.368 -3.249 1.00 0.00 N ATOM 188 CA VAL A 291 1.995 1.018 -2.715 1.00 0.00 C ATOM 189 C VAL A 291 1.957 -0.471 -2.366 1.00 0.00 C ATOM 190 O VAL A 291 0.881 -1.017 -2.131 1.00 0.00 O ATOM 191 CB VAL A 291 2.251 1.862 -1.456 1.00 0.00 C ATOM 192 CG1 VAL A 291 3.597 1.565 -0.806 1.00 0.00 C ATOM 193 CG2 VAL A 291 2.221 3.352 -1.787 1.00 0.00 C ATOM 0 H VAL A 291 -0.057 0.787 -2.866 1.00 0.00 H new ATOM 0 HA VAL A 291 2.793 1.212 -3.432 1.00 0.00 H new ATOM 0 HB VAL A 291 1.455 1.597 -0.760 1.00 0.00 H new ATOM 0 HG11 VAL A 291 3.720 2.191 0.078 1.00 0.00 H new ATOM 0 HG12 VAL A 291 3.637 0.515 -0.515 1.00 0.00 H new ATOM 0 HG13 VAL A 291 4.398 1.776 -1.515 1.00 0.00 H new ATOM 0 HG21 VAL A 291 2.405 3.930 -0.881 1.00 0.00 H new ATOM 0 HG22 VAL A 291 2.993 3.577 -2.523 1.00 0.00 H new ATOM 0 HG23 VAL A 291 1.244 3.615 -2.193 1.00 0.00 H new ATOM 203 N HIS A 292 3.113 -1.136 -2.328 1.00 0.00 N ATOM 204 CA HIS A 292 3.178 -2.552 -1.985 1.00 0.00 C ATOM 205 C HIS A 292 3.848 -2.715 -0.626 1.00 0.00 C ATOM 206 O HIS A 292 4.547 -1.810 -0.175 1.00 0.00 O ATOM 207 CB HIS A 292 3.951 -3.303 -3.068 1.00 0.00 C ATOM 208 CG HIS A 292 3.304 -3.207 -4.424 1.00 0.00 C ATOM 209 ND1 HIS A 292 3.829 -2.591 -5.538 1.00 0.00 N ATOM 210 CD2 HIS A 292 2.084 -3.716 -4.782 1.00 0.00 C ATOM 211 CE1 HIS A 292 2.942 -2.730 -6.539 1.00 0.00 C ATOM 212 NE2 HIS A 292 1.857 -3.410 -6.128 1.00 0.00 N ATOM 0 H HIS A 292 4.018 -0.712 -2.532 1.00 0.00 H new ATOM 0 HA HIS A 292 2.172 -2.968 -1.927 1.00 0.00 H new ATOM 0 HB2 HIS A 292 4.964 -2.905 -3.126 1.00 0.00 H new ATOM 0 HB3 HIS A 292 4.036 -4.352 -2.785 1.00 0.00 H new ATOM 0 HD2 HIS A 292 1.412 -4.261 -4.135 1.00 0.00 H new ATOM 0 HE1 HIS A 292 3.082 -2.347 -7.539 1.00 0.00 H new ATOM 0 HE2 HIS A 292 1.037 -3.653 -6.684 1.00 0.00 H new ATOM 220 N MET A 293 3.644 -3.859 0.036 1.00 0.00 N ATOM 221 CA MET A 293 4.195 -4.077 1.366 1.00 0.00 C ATOM 222 C MET A 293 4.456 -5.558 1.618 1.00 0.00 C ATOM 223 O MET A 293 3.667 -6.422 1.239 1.00 0.00 O ATOM 224 CB MET A 293 3.204 -3.522 2.391 1.00 0.00 C ATOM 225 CG MET A 293 3.661 -3.730 3.831 1.00 0.00 C ATOM 226 SD MET A 293 2.490 -3.031 5.016 1.00 0.00 S ATOM 227 CE MET A 293 3.419 -3.299 6.541 1.00 0.00 C ATOM 0 H MET A 293 3.103 -4.642 -0.331 1.00 0.00 H new ATOM 0 HA MET A 293 5.152 -3.563 1.454 1.00 0.00 H new ATOM 0 HB2 MET A 293 3.061 -2.457 2.211 1.00 0.00 H new ATOM 0 HB3 MET A 293 2.236 -4.002 2.249 1.00 0.00 H new ATOM 0 HG2 MET A 293 3.780 -4.796 4.024 1.00 0.00 H new ATOM 0 HG3 MET A 293 4.639 -3.269 3.972 1.00 0.00 H new ATOM 0 HE1 MET A 293 2.844 -2.925 7.388 1.00 0.00 H new ATOM 0 HE2 MET A 293 3.605 -4.365 6.671 1.00 0.00 H new ATOM 0 HE3 MET A 293 4.370 -2.769 6.486 1.00 0.00 H new ATOM 237 N ARG A 294 5.586 -5.843 2.272 1.00 0.00 N ATOM 238 CA ARG A 294 6.004 -7.193 2.610 1.00 0.00 C ATOM 239 C ARG A 294 6.777 -7.159 3.923 1.00 0.00 C ATOM 240 O ARG A 294 7.082 -6.089 4.443 1.00 0.00 O ATOM 241 CB ARG A 294 6.899 -7.773 1.510 1.00 0.00 C ATOM 242 CG ARG A 294 6.218 -7.817 0.141 1.00 0.00 C ATOM 243 CD ARG A 294 7.110 -8.553 -0.860 1.00 0.00 C ATOM 244 NE ARG A 294 8.438 -7.932 -0.943 1.00 0.00 N ATOM 245 CZ ARG A 294 9.185 -7.873 -2.050 1.00 0.00 C ATOM 246 NH1 ARG A 294 8.782 -8.445 -3.182 1.00 0.00 N ATOM 247 NH2 ARG A 294 10.352 -7.233 -2.023 1.00 0.00 N ATOM 0 H ARG A 294 6.241 -5.126 2.583 1.00 0.00 H new ATOM 0 HA ARG A 294 5.120 -7.823 2.708 1.00 0.00 H new ATOM 0 HB2 ARG A 294 7.808 -7.176 1.438 1.00 0.00 H new ATOM 0 HB3 ARG A 294 7.202 -8.782 1.791 1.00 0.00 H new ATOM 0 HG2 ARG A 294 5.254 -8.319 0.221 1.00 0.00 H new ATOM 0 HG3 ARG A 294 6.021 -6.804 -0.210 1.00 0.00 H new ATOM 0 HD2 ARG A 294 7.211 -9.597 -0.562 1.00 0.00 H new ATOM 0 HD3 ARG A 294 6.640 -8.546 -1.844 1.00 0.00 H new ATOM 0 HE ARG A 294 8.818 -7.515 -0.093 1.00 0.00 H new ATOM 0 HH11 ARG A 294 7.890 -8.939 -3.215 1.00 0.00 H new ATOM 0 HH12 ARG A 294 9.365 -8.390 -4.017 1.00 0.00 H new ATOM 0 HH21 ARG A 294 10.672 -6.791 -1.161 1.00 0.00 H new ATOM 0 HH22 ARG A 294 10.927 -7.184 -2.864 1.00 0.00 H new ATOM 261 N GLY A 295 7.095 -8.335 4.460 1.00 0.00 N ATOM 262 CA GLY A 295 7.829 -8.450 5.709 1.00 0.00 C ATOM 263 C GLY A 295 6.901 -8.766 6.868 1.00 0.00 C ATOM 264 O GLY A 295 7.364 -9.230 7.908 1.00 0.00 O ATOM 0 H GLY A 295 6.850 -9.231 4.039 1.00 0.00 H new ATOM 0 HA2 GLY A 295 8.582 -9.233 5.620 1.00 0.00 H new ATOM 0 HA3 GLY A 295 8.359 -7.519 5.909 1.00 0.00 H new ATOM 268 N LEU A 296 5.597 -8.517 6.694 1.00 0.00 N ATOM 269 CA LEU A 296 4.622 -8.833 7.721 1.00 0.00 C ATOM 270 C LEU A 296 4.815 -10.286 8.129 1.00 0.00 C ATOM 271 O LEU A 296 4.818 -11.167 7.267 1.00 0.00 O ATOM 272 CB LEU A 296 3.199 -8.629 7.191 1.00 0.00 C ATOM 273 CG LEU A 296 2.826 -7.152 7.046 1.00 0.00 C ATOM 274 CD1 LEU A 296 1.423 -7.046 6.455 1.00 0.00 C ATOM 275 CD2 LEU A 296 2.827 -6.445 8.402 1.00 0.00 C ATOM 0 H LEU A 296 5.203 -8.099 5.851 1.00 0.00 H new ATOM 0 HA LEU A 296 4.764 -8.174 8.578 1.00 0.00 H new ATOM 0 HB2 LEU A 296 3.103 -9.120 6.223 1.00 0.00 H new ATOM 0 HB3 LEU A 296 2.492 -9.113 7.865 1.00 0.00 H new ATOM 0 HG LEU A 296 3.563 -6.679 6.397 1.00 0.00 H new ATOM 0 HD11 LEU A 296 1.151 -5.996 6.349 1.00 0.00 H new ATOM 0 HD12 LEU A 296 1.403 -7.526 5.477 1.00 0.00 H new ATOM 0 HD13 LEU A 296 0.711 -7.540 7.116 1.00 0.00 H new ATOM 0 HD21 LEU A 296 2.558 -5.397 8.266 1.00 0.00 H new ATOM 0 HD22 LEU A 296 2.103 -6.923 9.062 1.00 0.00 H new ATOM 0 HD23 LEU A 296 3.821 -6.510 8.846 1.00 0.00 H new ATOM 344 N ALA A 300 0.403 -11.522 11.065 1.00 0.00 N ATOM 345 CA ALA A 300 0.044 -10.108 11.152 1.00 0.00 C ATOM 346 C ALA A 300 -0.790 -9.715 9.930 1.00 0.00 C ATOM 347 O ALA A 300 -0.784 -10.432 8.929 1.00 0.00 O ATOM 348 CB ALA A 300 1.318 -9.269 11.244 1.00 0.00 C ATOM 0 HA ALA A 300 -0.554 -9.927 12.045 1.00 0.00 H new ATOM 0 HB1 ALA A 300 1.055 -8.213 11.309 1.00 0.00 H new ATOM 0 HB2 ALA A 300 1.881 -9.558 12.132 1.00 0.00 H new ATOM 0 HB3 ALA A 300 1.929 -9.436 10.357 1.00 0.00 H new ATOM 354 N THR A 301 -1.507 -8.585 9.997 1.00 0.00 N ATOM 355 CA THR A 301 -2.447 -8.214 8.939 1.00 0.00 C ATOM 356 C THR A 301 -2.642 -6.711 8.777 1.00 0.00 C ATOM 357 O THR A 301 -2.097 -5.881 9.508 1.00 0.00 O ATOM 358 CB THR A 301 -3.825 -8.834 9.206 1.00 0.00 C ATOM 359 OG1 THR A 301 -4.072 -8.942 10.589 1.00 0.00 O ATOM 360 CG2 THR A 301 -3.928 -10.214 8.570 1.00 0.00 C ATOM 0 H THR A 301 -1.453 -7.919 10.768 1.00 0.00 H new ATOM 0 HA THR A 301 -2.002 -8.596 8.020 1.00 0.00 H new ATOM 0 HB THR A 301 -4.571 -8.175 8.762 1.00 0.00 H new ATOM 0 HG1 THR A 301 -4.957 -9.338 10.733 1.00 0.00 H new ATOM 0 HG21 THR A 301 -4.913 -10.635 8.772 1.00 0.00 H new ATOM 0 HG22 THR A 301 -3.783 -10.130 7.493 1.00 0.00 H new ATOM 0 HG23 THR A 301 -3.162 -10.866 8.989 1.00 0.00 H new ATOM 368 N GLU A 302 -3.458 -6.382 7.773 1.00 0.00 N ATOM 369 CA GLU A 302 -3.845 -5.030 7.413 1.00 0.00 C ATOM 370 C GLU A 302 -4.372 -4.213 8.586 1.00 0.00 C ATOM 371 O GLU A 302 -4.287 -2.987 8.560 1.00 0.00 O ATOM 372 CB GLU A 302 -4.882 -5.111 6.297 1.00 0.00 C ATOM 373 CG GLU A 302 -6.270 -5.454 6.834 1.00 0.00 C ATOM 374 CD GLU A 302 -7.200 -5.938 5.724 1.00 0.00 C ATOM 375 OE1 GLU A 302 -7.587 -5.098 4.883 1.00 0.00 O ATOM 376 OE2 GLU A 302 -7.516 -7.148 5.724 1.00 0.00 O ATOM 0 H GLU A 302 -3.881 -7.085 7.168 1.00 0.00 H new ATOM 0 HA GLU A 302 -2.952 -4.503 7.076 1.00 0.00 H new ATOM 0 HB2 GLU A 302 -4.922 -4.158 5.769 1.00 0.00 H new ATOM 0 HB3 GLU A 302 -4.577 -5.865 5.572 1.00 0.00 H new ATOM 0 HG2 GLU A 302 -6.184 -6.226 7.599 1.00 0.00 H new ATOM 0 HG3 GLU A 302 -6.702 -4.576 7.314 1.00 0.00 H new ATOM 383 N ASN A 303 -4.914 -4.881 9.610 1.00 0.00 N ATOM 384 CA ASN A 303 -5.427 -4.214 10.798 1.00 0.00 C ATOM 385 C ASN A 303 -4.350 -3.394 11.512 1.00 0.00 C ATOM 386 O ASN A 303 -4.671 -2.612 12.406 1.00 0.00 O ATOM 387 CB ASN A 303 -6.053 -5.239 11.743 1.00 0.00 C ATOM 388 CG ASN A 303 -4.986 -5.950 12.554 1.00 0.00 C ATOM 389 OD1 ASN A 303 -5.136 -6.165 13.754 1.00 0.00 O ATOM 390 ND2 ASN A 303 -3.895 -6.321 11.893 1.00 0.00 N ATOM 0 H ASN A 303 -5.006 -5.897 9.633 1.00 0.00 H new ATOM 0 HA ASN A 303 -6.195 -3.510 10.479 1.00 0.00 H new ATOM 0 HB2 ASN A 303 -6.754 -4.741 12.413 1.00 0.00 H new ATOM 0 HB3 ASN A 303 -6.625 -5.968 11.168 1.00 0.00 H new ATOM 0 HD21 ASN A 303 -3.142 -6.804 12.382 1.00 0.00 H new ATOM 0 HD22 ASN A 303 -3.811 -6.123 10.896 1.00 0.00 H new ATOM 397 N ASP A 304 -3.082 -3.564 11.124 1.00 0.00 N ATOM 398 CA ASP A 304 -1.998 -2.763 11.668 1.00 0.00 C ATOM 399 C ASP A 304 -1.223 -2.036 10.573 1.00 0.00 C ATOM 400 O ASP A 304 -0.471 -1.110 10.863 1.00 0.00 O ATOM 401 CB ASP A 304 -1.086 -3.659 12.509 1.00 0.00 C ATOM 402 CG ASP A 304 -0.272 -2.856 13.523 1.00 0.00 C ATOM 403 OD1 ASP A 304 -0.864 -1.952 14.153 1.00 0.00 O ATOM 404 OD2 ASP A 304 0.936 -3.153 13.660 1.00 0.00 O ATOM 0 H ASP A 304 -2.788 -4.254 10.432 1.00 0.00 H new ATOM 0 HA ASP A 304 -2.419 -1.986 12.306 1.00 0.00 H new ATOM 0 HB2 ASP A 304 -1.689 -4.400 13.034 1.00 0.00 H new ATOM 0 HB3 ASP A 304 -0.409 -4.206 11.852 1.00 0.00 H new ATOM 409 N ILE A 305 -1.396 -2.443 9.312 1.00 0.00 N ATOM 410 CA ILE A 305 -0.771 -1.753 8.190 1.00 0.00 C ATOM 411 C ILE A 305 -1.234 -0.304 8.107 1.00 0.00 C ATOM 412 O ILE A 305 -0.405 0.602 8.033 1.00 0.00 O ATOM 413 CB ILE A 305 -1.166 -2.451 6.898 1.00 0.00 C ATOM 414 CG1 ILE A 305 -0.554 -3.851 6.865 1.00 0.00 C ATOM 415 CG2 ILE A 305 -0.727 -1.629 5.680 1.00 0.00 C ATOM 416 CD1 ILE A 305 -0.931 -4.530 5.553 1.00 0.00 C ATOM 0 H ILE A 305 -1.965 -3.247 9.047 1.00 0.00 H new ATOM 0 HA ILE A 305 0.309 -1.774 8.336 1.00 0.00 H new ATOM 0 HB ILE A 305 -2.252 -2.542 6.859 1.00 0.00 H new ATOM 0 HG12 ILE A 305 0.530 -3.790 6.959 1.00 0.00 H new ATOM 0 HG13 ILE A 305 -0.914 -4.439 7.709 1.00 0.00 H new ATOM 0 HG21 ILE A 305 -1.020 -2.147 4.767 1.00 0.00 H new ATOM 0 HG22 ILE A 305 -1.205 -0.650 5.711 1.00 0.00 H new ATOM 0 HG23 ILE A 305 0.356 -1.505 5.696 1.00 0.00 H new ATOM 0 HD11 ILE A 305 -0.497 -5.530 5.523 1.00 0.00 H new ATOM 0 HD12 ILE A 305 -2.016 -4.603 5.480 1.00 0.00 H new ATOM 0 HD13 ILE A 305 -0.549 -3.944 4.717 1.00 0.00 H new ATOM 428 N TYR A 306 -2.551 -0.073 8.117 1.00 0.00 N ATOM 429 CA TYR A 306 -3.071 1.285 8.040 1.00 0.00 C ATOM 430 C TYR A 306 -2.843 2.016 9.364 1.00 0.00 C ATOM 431 O TYR A 306 -3.345 3.118 9.565 1.00 0.00 O ATOM 432 CB TYR A 306 -4.530 1.297 7.565 1.00 0.00 C ATOM 433 CG TYR A 306 -5.543 0.636 8.479 1.00 0.00 C ATOM 434 CD1 TYR A 306 -6.004 1.315 9.616 1.00 0.00 C ATOM 435 CD2 TYR A 306 -6.029 -0.648 8.187 1.00 0.00 C ATOM 436 CE1 TYR A 306 -6.951 0.718 10.459 1.00 0.00 C ATOM 437 CE2 TYR A 306 -6.976 -1.252 9.025 1.00 0.00 C ATOM 438 CZ TYR A 306 -7.440 -0.571 10.168 1.00 0.00 C ATOM 439 OH TYR A 306 -8.357 -1.153 10.993 1.00 0.00 O ATOM 0 H TYR A 306 -3.263 -0.801 8.177 1.00 0.00 H new ATOM 0 HA TYR A 306 -2.518 1.841 7.283 1.00 0.00 H new ATOM 0 HB2 TYR A 306 -4.831 2.334 7.414 1.00 0.00 H new ATOM 0 HB3 TYR A 306 -4.577 0.807 6.593 1.00 0.00 H new ATOM 0 HD1 TYR A 306 -5.628 2.302 9.843 1.00 0.00 H new ATOM 0 HD2 TYR A 306 -5.672 -1.173 7.313 1.00 0.00 H new ATOM 0 HE1 TYR A 306 -7.306 1.246 11.332 1.00 0.00 H new ATOM 0 HE2 TYR A 306 -7.350 -2.239 8.795 1.00 0.00 H new ATOM 0 HH TYR A 306 -8.590 -2.040 10.649 1.00 0.00 H new ATOM 449 N ASN A 307 -2.079 1.387 10.264 1.00 0.00 N ATOM 450 CA ASN A 307 -1.679 1.952 11.542 1.00 0.00 C ATOM 451 C ASN A 307 -0.152 1.947 11.691 1.00 0.00 C ATOM 452 O ASN A 307 0.367 2.295 12.750 1.00 0.00 O ATOM 453 CB ASN A 307 -2.348 1.145 12.653 1.00 0.00 C ATOM 454 CG ASN A 307 -3.852 1.342 12.666 1.00 0.00 C ATOM 455 OD1 ASN A 307 -4.348 2.457 12.532 1.00 0.00 O ATOM 456 ND2 ASN A 307 -4.592 0.253 12.829 1.00 0.00 N ATOM 0 H ASN A 307 -1.716 0.446 10.112 1.00 0.00 H new ATOM 0 HA ASN A 307 -1.998 2.992 11.604 1.00 0.00 H new ATOM 0 HB2 ASN A 307 -2.121 0.087 12.521 1.00 0.00 H new ATOM 0 HB3 ASN A 307 -1.934 1.441 13.617 1.00 0.00 H new ATOM 0 HD21 ASN A 307 -5.609 0.326 12.846 1.00 0.00 H new ATOM 0 HD22 ASN A 307 -4.144 -0.657 12.937 1.00 0.00 H new ATOM 463 N PHE A 308 0.566 1.552 10.632 1.00 0.00 N ATOM 464 CA PHE A 308 2.025 1.545 10.593 1.00 0.00 C ATOM 465 C PHE A 308 2.547 2.538 9.558 1.00 0.00 C ATOM 466 O PHE A 308 3.632 3.093 9.727 1.00 0.00 O ATOM 467 CB PHE A 308 2.487 0.125 10.256 1.00 0.00 C ATOM 468 CG PHE A 308 3.606 0.023 9.241 1.00 0.00 C ATOM 469 CD1 PHE A 308 3.296 -0.048 7.875 1.00 0.00 C ATOM 470 CD2 PHE A 308 4.948 -0.007 9.650 1.00 0.00 C ATOM 471 CE1 PHE A 308 4.318 -0.167 6.924 1.00 0.00 C ATOM 472 CE2 PHE A 308 5.971 -0.147 8.700 1.00 0.00 C ATOM 473 CZ PHE A 308 5.656 -0.227 7.337 1.00 0.00 C ATOM 0 H PHE A 308 0.138 1.224 9.766 1.00 0.00 H new ATOM 0 HA PHE A 308 2.421 1.848 11.562 1.00 0.00 H new ATOM 0 HB2 PHE A 308 2.811 -0.360 11.177 1.00 0.00 H new ATOM 0 HB3 PHE A 308 1.631 -0.437 9.883 1.00 0.00 H new ATOM 0 HD1 PHE A 308 2.265 -0.011 7.555 1.00 0.00 H new ATOM 0 HD2 PHE A 308 5.194 0.078 10.698 1.00 0.00 H new ATOM 0 HE1 PHE A 308 4.075 -0.212 5.873 1.00 0.00 H new ATOM 0 HE2 PHE A 308 7.002 -0.193 9.019 1.00 0.00 H new ATOM 0 HZ PHE A 308 6.443 -0.335 6.606 1.00 0.00 H new ATOM 483 N PHE A 309 1.782 2.763 8.488 1.00 0.00 N ATOM 484 CA PHE A 309 2.154 3.712 7.454 1.00 0.00 C ATOM 485 C PHE A 309 2.048 5.147 7.963 1.00 0.00 C ATOM 486 O PHE A 309 2.963 5.945 7.772 1.00 0.00 O ATOM 487 CB PHE A 309 1.194 3.531 6.280 1.00 0.00 C ATOM 488 CG PHE A 309 1.743 2.716 5.134 1.00 0.00 C ATOM 489 CD1 PHE A 309 2.655 3.311 4.254 1.00 0.00 C ATOM 490 CD2 PHE A 309 1.348 1.384 4.939 1.00 0.00 C ATOM 491 CE1 PHE A 309 3.133 2.597 3.153 1.00 0.00 C ATOM 492 CE2 PHE A 309 1.847 0.661 3.846 1.00 0.00 C ATOM 493 CZ PHE A 309 2.728 1.274 2.943 1.00 0.00 C ATOM 0 H PHE A 309 0.893 2.292 8.320 1.00 0.00 H new ATOM 0 HA PHE A 309 3.186 3.530 7.154 1.00 0.00 H new ATOM 0 HB2 PHE A 309 0.284 3.054 6.643 1.00 0.00 H new ATOM 0 HB3 PHE A 309 0.911 4.515 5.905 1.00 0.00 H new ATOM 0 HD1 PHE A 309 2.989 4.323 4.427 1.00 0.00 H new ATOM 0 HD2 PHE A 309 0.661 0.917 5.629 1.00 0.00 H new ATOM 0 HE1 PHE A 309 3.817 3.067 2.462 1.00 0.00 H new ATOM 0 HE2 PHE A 309 1.553 -0.368 3.699 1.00 0.00 H new ATOM 0 HZ PHE A 309 3.093 0.726 2.087 1.00 0.00 H new ATOM 503 N SER A 310 0.922 5.459 8.612 1.00 0.00 N ATOM 504 CA SER A 310 0.568 6.791 9.088 1.00 0.00 C ATOM 505 C SER A 310 -0.808 6.717 9.749 1.00 0.00 C ATOM 506 O SER A 310 -1.482 5.695 9.623 1.00 0.00 O ATOM 507 CB SER A 310 0.507 7.750 7.894 1.00 0.00 C ATOM 508 OG SER A 310 1.787 8.286 7.645 1.00 0.00 O ATOM 0 H SER A 310 0.209 4.762 8.826 1.00 0.00 H new ATOM 0 HA SER A 310 1.309 7.148 9.803 1.00 0.00 H new ATOM 0 HB2 SER A 310 0.145 7.223 7.011 1.00 0.00 H new ATOM 0 HB3 SER A 310 -0.200 8.554 8.097 1.00 0.00 H new ATOM 0 HG SER A 310 2.470 7.623 7.876 1.00 0.00 H new ATOM 514 N PRO A 311 -1.244 7.774 10.449 1.00 0.00 N ATOM 515 CA PRO A 311 -2.571 7.852 11.042 1.00 0.00 C ATOM 516 C PRO A 311 -3.680 7.922 9.985 1.00 0.00 C ATOM 517 O PRO A 311 -4.856 7.988 10.340 1.00 0.00 O ATOM 518 CB PRO A 311 -2.549 9.103 11.922 1.00 0.00 C ATOM 519 CG PRO A 311 -1.507 9.990 11.247 1.00 0.00 C ATOM 520 CD PRO A 311 -0.485 8.981 10.730 1.00 0.00 C ATOM 0 HA PRO A 311 -2.796 6.955 11.619 1.00 0.00 H new ATOM 0 HB2 PRO A 311 -3.525 9.586 11.958 1.00 0.00 H new ATOM 0 HB3 PRO A 311 -2.271 8.867 12.949 1.00 0.00 H new ATOM 0 HG2 PRO A 311 -1.940 10.578 10.437 1.00 0.00 H new ATOM 0 HG3 PRO A 311 -1.060 10.694 11.949 1.00 0.00 H new ATOM 0 HD2 PRO A 311 0.013 9.350 9.833 1.00 0.00 H new ATOM 0 HD3 PRO A 311 0.292 8.793 11.471 1.00 0.00 H new ATOM 528 N LEU A 312 -3.320 7.908 8.695 1.00 0.00 N ATOM 529 CA LEU A 312 -4.255 7.858 7.586 1.00 0.00 C ATOM 530 C LEU A 312 -5.304 6.768 7.759 1.00 0.00 C ATOM 531 O LEU A 312 -5.058 5.713 8.340 1.00 0.00 O ATOM 532 CB LEU A 312 -3.461 7.612 6.304 1.00 0.00 C ATOM 533 CG LEU A 312 -3.087 8.911 5.592 1.00 0.00 C ATOM 534 CD1 LEU A 312 -2.598 10.018 6.518 1.00 0.00 C ATOM 535 CD2 LEU A 312 -2.010 8.621 4.553 1.00 0.00 C ATOM 0 H LEU A 312 -2.345 7.932 8.397 1.00 0.00 H new ATOM 0 HA LEU A 312 -4.790 8.807 7.542 1.00 0.00 H new ATOM 0 HB2 LEU A 312 -2.553 7.057 6.543 1.00 0.00 H new ATOM 0 HB3 LEU A 312 -4.048 6.988 5.630 1.00 0.00 H new ATOM 0 HG LEU A 312 -4.004 9.279 5.132 1.00 0.00 H new ATOM 0 HD11 LEU A 312 -2.355 10.903 5.930 1.00 0.00 H new ATOM 0 HD12 LEU A 312 -3.380 10.263 7.236 1.00 0.00 H new ATOM 0 HD13 LEU A 312 -1.709 9.680 7.051 1.00 0.00 H new ATOM 0 HD21 LEU A 312 -1.739 9.545 4.042 1.00 0.00 H new ATOM 0 HD22 LEU A 312 -1.130 8.208 5.046 1.00 0.00 H new ATOM 0 HD23 LEU A 312 -2.389 7.902 3.827 1.00 0.00 H new ATOM 547 N ASN A 313 -6.488 7.066 7.228 1.00 0.00 N ATOM 548 CA ASN A 313 -7.666 6.229 7.284 1.00 0.00 C ATOM 549 C ASN A 313 -7.445 4.896 6.560 1.00 0.00 C ATOM 550 O ASN A 313 -6.545 4.782 5.729 1.00 0.00 O ATOM 551 CB ASN A 313 -8.794 7.046 6.654 1.00 0.00 C ATOM 552 CG ASN A 313 -9.069 8.312 7.447 1.00 0.00 C ATOM 553 OD1 ASN A 313 -9.116 8.290 8.674 1.00 0.00 O ATOM 554 ND2 ASN A 313 -9.249 9.424 6.746 1.00 0.00 N ATOM 0 H ASN A 313 -6.651 7.939 6.726 1.00 0.00 H new ATOM 0 HA ASN A 313 -7.912 5.958 8.311 1.00 0.00 H new ATOM 0 HB2 ASN A 313 -8.528 7.307 5.630 1.00 0.00 H new ATOM 0 HB3 ASN A 313 -9.700 6.442 6.605 1.00 0.00 H new ATOM 0 HD21 ASN A 313 -9.435 10.305 7.226 1.00 0.00 H new ATOM 0 HD22 ASN A 313 -9.202 9.398 5.727 1.00 0.00 H new ATOM 561 N PRO A 314 -8.264 3.883 6.870 1.00 0.00 N ATOM 562 CA PRO A 314 -8.149 2.527 6.357 1.00 0.00 C ATOM 563 C PRO A 314 -8.757 2.382 4.962 1.00 0.00 C ATOM 564 O PRO A 314 -9.019 1.269 4.511 1.00 0.00 O ATOM 565 CB PRO A 314 -8.893 1.688 7.391 1.00 0.00 C ATOM 566 CG PRO A 314 -10.044 2.603 7.797 1.00 0.00 C ATOM 567 CD PRO A 314 -9.391 3.985 7.783 1.00 0.00 C ATOM 0 HA PRO A 314 -7.112 2.218 6.230 1.00 0.00 H new ATOM 0 HB2 PRO A 314 -9.251 0.749 6.969 1.00 0.00 H new ATOM 0 HB3 PRO A 314 -8.258 1.434 8.240 1.00 0.00 H new ATOM 0 HG2 PRO A 314 -10.877 2.541 7.097 1.00 0.00 H new ATOM 0 HG3 PRO A 314 -10.436 2.349 8.782 1.00 0.00 H new ATOM 0 HD2 PRO A 314 -10.096 4.747 7.450 1.00 0.00 H new ATOM 0 HD3 PRO A 314 -9.060 4.271 8.781 1.00 0.00 H new ATOM 575 N VAL A 315 -8.977 3.513 4.286 1.00 0.00 N ATOM 576 CA VAL A 315 -9.507 3.599 2.922 1.00 0.00 C ATOM 577 C VAL A 315 -8.650 2.859 1.893 1.00 0.00 C ATOM 578 O VAL A 315 -8.921 2.956 0.698 1.00 0.00 O ATOM 579 CB VAL A 315 -9.569 5.069 2.469 1.00 0.00 C ATOM 580 CG1 VAL A 315 -10.449 5.931 3.367 1.00 0.00 C ATOM 581 CG2 VAL A 315 -8.170 5.691 2.432 1.00 0.00 C ATOM 0 H VAL A 315 -8.783 4.430 4.689 1.00 0.00 H new ATOM 0 HA VAL A 315 -10.494 3.137 2.963 1.00 0.00 H new ATOM 0 HB VAL A 315 -10.006 5.050 1.471 1.00 0.00 H new ATOM 0 HG11 VAL A 315 -10.453 6.956 2.997 1.00 0.00 H new ATOM 0 HG12 VAL A 315 -11.466 5.540 3.363 1.00 0.00 H new ATOM 0 HG13 VAL A 315 -10.058 5.914 4.384 1.00 0.00 H new ATOM 0 HG21 VAL A 315 -8.242 6.730 2.109 1.00 0.00 H new ATOM 0 HG22 VAL A 315 -7.727 5.650 3.427 1.00 0.00 H new ATOM 0 HG23 VAL A 315 -7.544 5.136 1.733 1.00 0.00 H new ATOM 591 N ARG A 316 -7.621 2.128 2.330 1.00 0.00 N ATOM 592 CA ARG A 316 -6.527 1.769 1.444 1.00 0.00 C ATOM 593 C ARG A 316 -5.978 0.358 1.606 1.00 0.00 C ATOM 594 O ARG A 316 -5.203 -0.063 0.756 1.00 0.00 O ATOM 595 CB ARG A 316 -5.406 2.785 1.685 1.00 0.00 C ATOM 596 CG ARG A 316 -5.001 2.839 3.166 1.00 0.00 C ATOM 597 CD ARG A 316 -4.077 4.030 3.400 1.00 0.00 C ATOM 598 NE ARG A 316 -3.941 4.303 4.834 1.00 0.00 N ATOM 599 CZ ARG A 316 -2.865 4.021 5.569 1.00 0.00 C ATOM 600 NH1 ARG A 316 -1.809 3.421 5.025 1.00 0.00 N ATOM 601 NH2 ARG A 316 -2.846 4.342 6.861 1.00 0.00 N ATOM 0 H ARG A 316 -7.529 1.779 3.284 1.00 0.00 H new ATOM 0 HA ARG A 316 -6.922 1.788 0.428 1.00 0.00 H new ATOM 0 HB2 ARG A 316 -4.539 2.521 1.079 1.00 0.00 H new ATOM 0 HB3 ARG A 316 -5.733 3.773 1.360 1.00 0.00 H new ATOM 0 HG2 ARG A 316 -5.888 2.925 3.793 1.00 0.00 H new ATOM 0 HG3 ARG A 316 -4.498 1.914 3.450 1.00 0.00 H new ATOM 0 HD2 ARG A 316 -3.097 3.827 2.968 1.00 0.00 H new ATOM 0 HD3 ARG A 316 -4.473 4.910 2.893 1.00 0.00 H new ATOM 0 HE ARG A 316 -4.731 4.743 5.306 1.00 0.00 H new ATOM 0 HH11 ARG A 316 -1.817 3.172 4.036 1.00 0.00 H new ATOM 0 HH12 ARG A 316 -0.991 3.210 5.597 1.00 0.00 H new ATOM 0 HH21 ARG A 316 -3.652 4.802 7.284 1.00 0.00 H new ATOM 0 HH22 ARG A 316 -2.025 4.128 7.428 1.00 0.00 H new ATOM 615 N VAL A 317 -6.337 -0.389 2.649 1.00 0.00 N ATOM 616 CA VAL A 317 -5.696 -1.684 2.836 1.00 0.00 C ATOM 617 C VAL A 317 -6.219 -2.765 1.897 1.00 0.00 C ATOM 618 O VAL A 317 -7.346 -2.708 1.408 1.00 0.00 O ATOM 619 CB VAL A 317 -5.771 -2.175 4.277 1.00 0.00 C ATOM 620 CG1 VAL A 317 -4.553 -1.615 5.010 1.00 0.00 C ATOM 621 CG2 VAL A 317 -7.072 -1.801 4.985 1.00 0.00 C ATOM 0 H VAL A 317 -7.036 -0.134 3.347 1.00 0.00 H new ATOM 0 HA VAL A 317 -4.651 -1.505 2.583 1.00 0.00 H new ATOM 0 HB VAL A 317 -5.765 -3.265 4.280 1.00 0.00 H new ATOM 0 HG11 VAL A 317 -4.570 -1.945 6.049 1.00 0.00 H new ATOM 0 HG12 VAL A 317 -3.643 -1.974 4.530 1.00 0.00 H new ATOM 0 HG13 VAL A 317 -4.576 -0.526 4.975 1.00 0.00 H new ATOM 0 HG21 VAL A 317 -7.054 -2.183 6.006 1.00 0.00 H new ATOM 0 HG22 VAL A 317 -7.176 -0.716 5.006 1.00 0.00 H new ATOM 0 HG23 VAL A 317 -7.916 -2.236 4.449 1.00 0.00 H new ATOM 631 N HIS A 318 -5.352 -3.756 1.664 1.00 0.00 N ATOM 632 CA HIS A 318 -5.609 -4.943 0.876 1.00 0.00 C ATOM 633 C HIS A 318 -4.607 -6.024 1.296 1.00 0.00 C ATOM 634 O HIS A 318 -3.699 -5.749 2.080 1.00 0.00 O ATOM 635 CB HIS A 318 -5.454 -4.598 -0.604 1.00 0.00 C ATOM 636 CG HIS A 318 -5.938 -5.703 -1.496 1.00 0.00 C ATOM 637 ND1 HIS A 318 -5.204 -6.387 -2.435 1.00 0.00 N ATOM 638 CD2 HIS A 318 -7.205 -6.214 -1.514 1.00 0.00 C ATOM 639 CE1 HIS A 318 -6.020 -7.285 -3.012 1.00 0.00 C ATOM 640 NE2 HIS A 318 -7.257 -7.221 -2.485 1.00 0.00 N ATOM 0 H HIS A 318 -4.406 -3.741 2.045 1.00 0.00 H new ATOM 0 HA HIS A 318 -6.621 -5.312 1.039 1.00 0.00 H new ATOM 0 HB2 HIS A 318 -6.010 -3.686 -0.823 1.00 0.00 H new ATOM 0 HB3 HIS A 318 -4.406 -4.392 -0.820 1.00 0.00 H new ATOM 0 HD1 HIS A 318 -4.219 -6.240 -2.654 1.00 0.00 H new ATOM 0 HD2 HIS A 318 -8.025 -5.896 -0.887 1.00 0.00 H new ATOM 0 HE1 HIS A 318 -5.723 -7.967 -3.795 1.00 0.00 H new ATOM 648 N ILE A 319 -4.760 -7.249 0.783 1.00 0.00 N ATOM 649 CA ILE A 319 -3.938 -8.385 1.188 1.00 0.00 C ATOM 650 C ILE A 319 -3.495 -9.181 -0.040 1.00 0.00 C ATOM 651 O ILE A 319 -4.119 -9.107 -1.097 1.00 0.00 O ATOM 652 CB ILE A 319 -4.741 -9.243 2.181 1.00 0.00 C ATOM 653 CG1 ILE A 319 -4.896 -8.519 3.527 1.00 0.00 C ATOM 654 CG2 ILE A 319 -4.125 -10.625 2.420 1.00 0.00 C ATOM 655 CD1 ILE A 319 -3.580 -8.294 4.275 1.00 0.00 C ATOM 0 H ILE A 319 -5.458 -7.477 0.075 1.00 0.00 H new ATOM 0 HA ILE A 319 -3.030 -8.043 1.685 1.00 0.00 H new ATOM 0 HB ILE A 319 -5.718 -9.393 1.722 1.00 0.00 H new ATOM 0 HG12 ILE A 319 -5.372 -7.554 3.355 1.00 0.00 H new ATOM 0 HG13 ILE A 319 -5.567 -9.097 4.162 1.00 0.00 H new ATOM 0 HG21 ILE A 319 -4.739 -11.179 3.130 1.00 0.00 H new ATOM 0 HG22 ILE A 319 -4.078 -11.170 1.477 1.00 0.00 H new ATOM 0 HG23 ILE A 319 -3.119 -10.510 2.823 1.00 0.00 H new ATOM 0 HD11 ILE A 319 -3.779 -7.777 5.214 1.00 0.00 H new ATOM 0 HD12 ILE A 319 -3.110 -9.256 4.482 1.00 0.00 H new ATOM 0 HD13 ILE A 319 -2.912 -7.689 3.662 1.00 0.00 H new ATOM 667 N GLU A 320 -2.410 -9.947 0.108 1.00 0.00 N ATOM 668 CA GLU A 320 -1.802 -10.697 -0.979 1.00 0.00 C ATOM 669 C GLU A 320 -1.479 -12.133 -0.559 1.00 0.00 C ATOM 670 O GLU A 320 -1.310 -12.441 0.624 1.00 0.00 O ATOM 671 CB GLU A 320 -0.562 -9.931 -1.455 1.00 0.00 C ATOM 672 CG GLU A 320 0.091 -10.578 -2.674 1.00 0.00 C ATOM 673 CD GLU A 320 1.195 -9.685 -3.239 1.00 0.00 C ATOM 674 OE1 GLU A 320 2.301 -9.690 -2.657 1.00 0.00 O ATOM 675 OE2 GLU A 320 0.921 -9.003 -4.254 1.00 0.00 O ATOM 0 H GLU A 320 -1.928 -10.061 1.000 1.00 0.00 H new ATOM 0 HA GLU A 320 -2.503 -10.787 -1.809 1.00 0.00 H new ATOM 0 HB2 GLU A 320 -0.843 -8.906 -1.698 1.00 0.00 H new ATOM 0 HB3 GLU A 320 0.163 -9.879 -0.643 1.00 0.00 H new ATOM 0 HG2 GLU A 320 0.507 -11.547 -2.397 1.00 0.00 H new ATOM 0 HG3 GLU A 320 -0.662 -10.762 -3.441 1.00 0.00 H new ATOM 817 N ALA A 331 0.714 -8.112 1.767 1.00 0.00 N ATOM 818 CA ALA A 331 -0.246 -7.032 1.628 1.00 0.00 C ATOM 819 C ALA A 331 0.154 -5.999 0.587 1.00 0.00 C ATOM 820 O ALA A 331 1.251 -6.015 0.034 1.00 0.00 O ATOM 821 CB ALA A 331 -0.386 -6.351 2.988 1.00 0.00 C ATOM 0 HA ALA A 331 -1.187 -7.463 1.287 1.00 0.00 H new ATOM 0 HB1 ALA A 331 -1.103 -5.533 2.913 1.00 0.00 H new ATOM 0 HB2 ALA A 331 -0.737 -7.075 3.723 1.00 0.00 H new ATOM 0 HB3 ALA A 331 0.582 -5.958 3.299 1.00 0.00 H new ATOM 827 N ASP A 332 -0.784 -5.091 0.337 1.00 0.00 N ATOM 828 CA ASP A 332 -0.588 -3.927 -0.502 1.00 0.00 C ATOM 829 C ASP A 332 -1.629 -2.889 -0.107 1.00 0.00 C ATOM 830 O ASP A 332 -2.582 -3.210 0.603 1.00 0.00 O ATOM 831 CB ASP A 332 -0.702 -4.319 -1.977 1.00 0.00 C ATOM 832 CG ASP A 332 -2.108 -4.778 -2.363 1.00 0.00 C ATOM 833 OD1 ASP A 332 -2.412 -5.970 -2.140 1.00 0.00 O ATOM 834 OD2 ASP A 332 -2.866 -3.929 -2.879 1.00 0.00 O ATOM 0 H ASP A 332 -1.725 -5.152 0.726 1.00 0.00 H new ATOM 0 HA ASP A 332 0.408 -3.506 -0.363 1.00 0.00 H new ATOM 0 HB2 ASP A 332 -0.420 -3.468 -2.597 1.00 0.00 H new ATOM 0 HB3 ASP A 332 0.007 -5.118 -2.191 1.00 0.00 H new ATOM 839 N VAL A 333 -1.462 -1.645 -0.558 1.00 0.00 N ATOM 840 CA VAL A 333 -2.390 -0.589 -0.194 1.00 0.00 C ATOM 841 C VAL A 333 -2.702 0.303 -1.392 1.00 0.00 C ATOM 842 O VAL A 333 -1.976 0.307 -2.385 1.00 0.00 O ATOM 843 CB VAL A 333 -1.835 0.221 0.986 1.00 0.00 C ATOM 844 CG1 VAL A 333 -1.622 -0.654 2.220 1.00 0.00 C ATOM 845 CG2 VAL A 333 -0.505 0.876 0.628 1.00 0.00 C ATOM 0 H VAL A 333 -0.700 -1.352 -1.169 1.00 0.00 H new ATOM 0 HA VAL A 333 -3.329 -1.043 0.121 1.00 0.00 H new ATOM 0 HB VAL A 333 -2.577 0.987 1.209 1.00 0.00 H new ATOM 0 HG11 VAL A 333 -1.228 -0.045 3.034 1.00 0.00 H new ATOM 0 HG12 VAL A 333 -2.572 -1.094 2.522 1.00 0.00 H new ATOM 0 HG13 VAL A 333 -0.913 -1.448 1.985 1.00 0.00 H new ATOM 0 HG21 VAL A 333 -0.137 1.443 1.483 1.00 0.00 H new ATOM 0 HG22 VAL A 333 0.220 0.106 0.363 1.00 0.00 H new ATOM 0 HG23 VAL A 333 -0.646 1.548 -0.219 1.00 0.00 H new ATOM 855 N GLU A 334 -3.797 1.061 -1.292 1.00 0.00 N ATOM 856 CA GLU A 334 -4.307 1.899 -2.363 1.00 0.00 C ATOM 857 C GLU A 334 -4.758 3.241 -1.788 1.00 0.00 C ATOM 858 O GLU A 334 -5.943 3.470 -1.552 1.00 0.00 O ATOM 859 CB GLU A 334 -5.436 1.169 -3.092 1.00 0.00 C ATOM 860 CG GLU A 334 -5.863 1.936 -4.345 1.00 0.00 C ATOM 861 CD GLU A 334 -6.964 1.186 -5.091 1.00 0.00 C ATOM 862 OE1 GLU A 334 -8.149 1.420 -4.761 1.00 0.00 O ATOM 863 OE2 GLU A 334 -6.614 0.384 -5.985 1.00 0.00 O ATOM 0 H GLU A 334 -4.361 1.105 -0.443 1.00 0.00 H new ATOM 0 HA GLU A 334 -3.524 2.101 -3.094 1.00 0.00 H new ATOM 0 HB2 GLU A 334 -5.108 0.167 -3.368 1.00 0.00 H new ATOM 0 HB3 GLU A 334 -6.289 1.052 -2.424 1.00 0.00 H new ATOM 0 HG2 GLU A 334 -6.217 2.928 -4.066 1.00 0.00 H new ATOM 0 HG3 GLU A 334 -5.004 2.077 -5.001 1.00 0.00 H new ATOM 870 N PHE A 335 -3.789 4.132 -1.564 1.00 0.00 N ATOM 871 CA PHE A 335 -4.020 5.441 -0.979 1.00 0.00 C ATOM 872 C PHE A 335 -4.941 6.317 -1.821 1.00 0.00 C ATOM 873 O PHE A 335 -5.052 6.166 -3.043 1.00 0.00 O ATOM 874 CB PHE A 335 -2.684 6.165 -0.818 1.00 0.00 C ATOM 875 CG PHE A 335 -1.789 5.585 0.252 1.00 0.00 C ATOM 876 CD1 PHE A 335 -1.954 5.986 1.584 1.00 0.00 C ATOM 877 CD2 PHE A 335 -0.798 4.654 -0.084 1.00 0.00 C ATOM 878 CE1 PHE A 335 -1.125 5.457 2.582 1.00 0.00 C ATOM 879 CE2 PHE A 335 0.032 4.127 0.915 1.00 0.00 C ATOM 880 CZ PHE A 335 -0.134 4.526 2.247 1.00 0.00 C ATOM 0 H PHE A 335 -2.810 3.955 -1.790 1.00 0.00 H new ATOM 0 HA PHE A 335 -4.506 5.275 -0.018 1.00 0.00 H new ATOM 0 HB2 PHE A 335 -2.154 6.142 -1.770 1.00 0.00 H new ATOM 0 HB3 PHE A 335 -2.877 7.212 -0.586 1.00 0.00 H new ATOM 0 HD1 PHE A 335 -2.720 6.703 1.842 1.00 0.00 H new ATOM 0 HD2 PHE A 335 -0.674 4.343 -1.111 1.00 0.00 H new ATOM 0 HE1 PHE A 335 -1.250 5.767 3.609 1.00 0.00 H new ATOM 0 HE2 PHE A 335 0.800 3.413 0.657 1.00 0.00 H new ATOM 0 HZ PHE A 335 0.503 4.115 3.017 1.00 0.00 H new ATOM 890 N ALA A 336 -5.600 7.245 -1.121 1.00 0.00 N ATOM 891 CA ALA A 336 -6.386 8.305 -1.717 1.00 0.00 C ATOM 892 C ALA A 336 -5.424 9.394 -2.199 1.00 0.00 C ATOM 893 O ALA A 336 -4.846 10.124 -1.392 1.00 0.00 O ATOM 894 CB ALA A 336 -7.371 8.837 -0.672 1.00 0.00 C ATOM 0 H ALA A 336 -5.595 7.272 -0.101 1.00 0.00 H new ATOM 0 HA ALA A 336 -6.964 7.948 -2.569 1.00 0.00 H new ATOM 0 HB1 ALA A 336 -7.969 9.636 -1.109 1.00 0.00 H new ATOM 0 HB2 ALA A 336 -8.027 8.030 -0.346 1.00 0.00 H new ATOM 0 HB3 ALA A 336 -6.819 9.224 0.185 1.00 0.00 H new ATOM 900 N THR A 337 -5.261 9.495 -3.522 1.00 0.00 N ATOM 901 CA THR A 337 -4.377 10.443 -4.196 1.00 0.00 C ATOM 902 C THR A 337 -2.908 10.204 -3.861 1.00 0.00 C ATOM 903 O THR A 337 -2.567 9.531 -2.889 1.00 0.00 O ATOM 904 CB THR A 337 -4.773 11.903 -3.947 1.00 0.00 C ATOM 905 OG1 THR A 337 -4.453 12.309 -2.636 1.00 0.00 O ATOM 906 CG2 THR A 337 -6.263 12.131 -4.202 1.00 0.00 C ATOM 0 H THR A 337 -5.762 8.894 -4.176 1.00 0.00 H new ATOM 0 HA THR A 337 -4.503 10.257 -5.263 1.00 0.00 H new ATOM 0 HB THR A 337 -4.200 12.506 -4.651 1.00 0.00 H new ATOM 0 HG1 THR A 337 -4.327 11.519 -2.070 1.00 0.00 H new ATOM 0 HG21 THR A 337 -6.508 13.177 -4.016 1.00 0.00 H new ATOM 0 HG22 THR A 337 -6.497 11.882 -5.237 1.00 0.00 H new ATOM 0 HG23 THR A 337 -6.847 11.497 -3.535 1.00 0.00 H new ATOM 914 N HIS A 338 -2.026 10.772 -4.684 1.00 0.00 N ATOM 915 CA HIS A 338 -0.593 10.669 -4.471 1.00 0.00 C ATOM 916 C HIS A 338 -0.189 11.425 -3.208 1.00 0.00 C ATOM 917 O HIS A 338 0.868 11.169 -2.641 1.00 0.00 O ATOM 918 CB HIS A 338 0.118 11.246 -5.694 1.00 0.00 C ATOM 919 CG HIS A 338 1.612 11.091 -5.661 1.00 0.00 C ATOM 920 ND1 HIS A 338 2.317 9.909 -5.628 1.00 0.00 N ATOM 921 CD2 HIS A 338 2.527 12.109 -5.665 1.00 0.00 C ATOM 922 CE1 HIS A 338 3.626 10.215 -5.626 1.00 0.00 C ATOM 923 NE2 HIS A 338 3.808 11.548 -5.655 1.00 0.00 N ATOM 0 H HIS A 338 -2.288 11.311 -5.509 1.00 0.00 H new ATOM 0 HA HIS A 338 -0.309 9.625 -4.339 1.00 0.00 H new ATOM 0 HB2 HIS A 338 -0.268 10.759 -6.589 1.00 0.00 H new ATOM 0 HB3 HIS A 338 -0.126 12.305 -5.777 1.00 0.00 H new ATOM 0 HD2 HIS A 338 2.299 13.165 -5.674 1.00 0.00 H new ATOM 0 HE1 HIS A 338 4.425 9.488 -5.604 1.00 0.00 H new ATOM 0 HE2 HIS A 338 4.698 12.047 -5.667 1.00 0.00 H new ATOM 931 N GLU A 339 -1.031 12.362 -2.763 1.00 0.00 N ATOM 932 CA GLU A 339 -0.746 13.187 -1.603 1.00 0.00 C ATOM 933 C GLU A 339 -0.770 12.365 -0.320 1.00 0.00 C ATOM 934 O GLU A 339 0.116 12.521 0.517 1.00 0.00 O ATOM 935 CB GLU A 339 -1.772 14.315 -1.526 1.00 0.00 C ATOM 936 CG GLU A 339 -1.585 15.235 -2.728 1.00 0.00 C ATOM 937 CD GLU A 339 -2.558 16.411 -2.684 1.00 0.00 C ATOM 938 OE1 GLU A 339 -2.274 17.369 -1.932 1.00 0.00 O ATOM 939 OE2 GLU A 339 -3.582 16.344 -3.401 1.00 0.00 O ATOM 0 H GLU A 339 -1.929 12.564 -3.203 1.00 0.00 H new ATOM 0 HA GLU A 339 0.255 13.605 -1.709 1.00 0.00 H new ATOM 0 HB2 GLU A 339 -2.782 13.906 -1.518 1.00 0.00 H new ATOM 0 HB3 GLU A 339 -1.648 14.875 -0.599 1.00 0.00 H new ATOM 0 HG2 GLU A 339 -0.561 15.608 -2.747 1.00 0.00 H new ATOM 0 HG3 GLU A 339 -1.736 14.670 -3.648 1.00 0.00 H new ATOM 946 N GLU A 340 -1.768 11.492 -0.147 1.00 0.00 N ATOM 947 CA GLU A 340 -1.778 10.631 1.028 1.00 0.00 C ATOM 948 C GLU A 340 -0.702 9.553 0.888 1.00 0.00 C ATOM 949 O GLU A 340 -0.192 9.057 1.890 1.00 0.00 O ATOM 950 CB GLU A 340 -3.156 9.992 1.208 1.00 0.00 C ATOM 951 CG GLU A 340 -4.250 11.051 1.383 1.00 0.00 C ATOM 952 CD GLU A 340 -4.048 11.881 2.650 1.00 0.00 C ATOM 953 OE1 GLU A 340 -4.571 11.460 3.706 1.00 0.00 O ATOM 954 OE2 GLU A 340 -3.373 12.931 2.557 1.00 0.00 O ATOM 0 H GLU A 340 -2.553 11.368 -0.786 1.00 0.00 H new ATOM 0 HA GLU A 340 -1.562 11.232 1.911 1.00 0.00 H new ATOM 0 HB2 GLU A 340 -3.385 9.371 0.342 1.00 0.00 H new ATOM 0 HB3 GLU A 340 -3.142 9.335 2.078 1.00 0.00 H new ATOM 0 HG2 GLU A 340 -4.258 11.711 0.515 1.00 0.00 H new ATOM 0 HG3 GLU A 340 -5.224 10.563 1.421 1.00 0.00 H new ATOM 961 N ALA A 341 -0.350 9.186 -0.350 1.00 0.00 N ATOM 962 CA ALA A 341 0.665 8.165 -0.571 1.00 0.00 C ATOM 963 C ALA A 341 2.045 8.650 -0.120 1.00 0.00 C ATOM 964 O ALA A 341 2.727 7.950 0.628 1.00 0.00 O ATOM 965 CB ALA A 341 0.682 7.781 -2.050 1.00 0.00 C ATOM 0 H ALA A 341 -0.751 9.579 -1.201 1.00 0.00 H new ATOM 0 HA ALA A 341 0.418 7.287 0.026 1.00 0.00 H new ATOM 0 HB1 ALA A 341 1.441 7.017 -2.219 1.00 0.00 H new ATOM 0 HB2 ALA A 341 -0.295 7.392 -2.336 1.00 0.00 H new ATOM 0 HB3 ALA A 341 0.912 8.660 -2.652 1.00 0.00 H new ATOM 971 N VAL A 342 2.471 9.838 -0.560 1.00 0.00 N ATOM 972 CA VAL A 342 3.755 10.384 -0.132 1.00 0.00 C ATOM 973 C VAL A 342 3.714 10.814 1.332 1.00 0.00 C ATOM 974 O VAL A 342 4.755 10.857 1.984 1.00 0.00 O ATOM 975 CB VAL A 342 4.183 11.567 -1.007 1.00 0.00 C ATOM 976 CG1 VAL A 342 4.239 11.149 -2.473 1.00 0.00 C ATOM 977 CG2 VAL A 342 3.240 12.758 -0.845 1.00 0.00 C ATOM 0 H VAL A 342 1.950 10.432 -1.205 1.00 0.00 H new ATOM 0 HA VAL A 342 4.491 9.587 -0.243 1.00 0.00 H new ATOM 0 HB VAL A 342 5.176 11.875 -0.679 1.00 0.00 H new ATOM 0 HG11 VAL A 342 4.544 12.000 -3.082 1.00 0.00 H new ATOM 0 HG12 VAL A 342 4.959 10.339 -2.593 1.00 0.00 H new ATOM 0 HG13 VAL A 342 3.254 10.809 -2.792 1.00 0.00 H new ATOM 0 HG21 VAL A 342 3.576 13.577 -1.481 1.00 0.00 H new ATOM 0 HG22 VAL A 342 2.231 12.465 -1.134 1.00 0.00 H new ATOM 0 HG23 VAL A 342 3.240 13.083 0.195 1.00 0.00 H new ATOM 987 N ALA A 343 2.527 11.133 1.857 1.00 0.00 N ATOM 988 CA ALA A 343 2.388 11.487 3.261 1.00 0.00 C ATOM 989 C ALA A 343 2.574 10.251 4.140 1.00 0.00 C ATOM 990 O ALA A 343 2.794 10.379 5.343 1.00 0.00 O ATOM 991 CB ALA A 343 1.013 12.108 3.501 1.00 0.00 C ATOM 0 H ALA A 343 1.655 11.152 1.328 1.00 0.00 H new ATOM 0 HA ALA A 343 3.157 12.214 3.523 1.00 0.00 H new ATOM 0 HB1 ALA A 343 0.912 12.372 4.554 1.00 0.00 H new ATOM 0 HB2 ALA A 343 0.907 13.004 2.890 1.00 0.00 H new ATOM 0 HB3 ALA A 343 0.238 11.391 3.231 1.00 0.00 H new ATOM 997 N ALA A 344 2.490 9.060 3.538 1.00 0.00 N ATOM 998 CA ALA A 344 2.705 7.806 4.236 1.00 0.00 C ATOM 999 C ALA A 344 4.096 7.239 3.939 1.00 0.00 C ATOM 1000 O ALA A 344 4.534 6.302 4.604 1.00 0.00 O ATOM 1001 CB ALA A 344 1.618 6.824 3.813 1.00 0.00 C ATOM 0 H ALA A 344 2.270 8.947 2.548 1.00 0.00 H new ATOM 0 HA ALA A 344 2.652 7.976 5.311 1.00 0.00 H new ATOM 0 HB1 ALA A 344 1.764 5.875 4.329 1.00 0.00 H new ATOM 0 HB2 ALA A 344 0.640 7.230 4.071 1.00 0.00 H new ATOM 0 HB3 ALA A 344 1.671 6.664 2.736 1.00 0.00 H new ATOM 1007 N MET A 345 4.795 7.802 2.947 1.00 0.00 N ATOM 1008 CA MET A 345 6.158 7.410 2.620 1.00 0.00 C ATOM 1009 C MET A 345 7.131 7.970 3.656 1.00 0.00 C ATOM 1010 O MET A 345 7.773 8.997 3.438 1.00 0.00 O ATOM 1011 CB MET A 345 6.500 7.847 1.192 1.00 0.00 C ATOM 1012 CG MET A 345 7.967 7.578 0.840 1.00 0.00 C ATOM 1013 SD MET A 345 8.650 6.003 1.429 1.00 0.00 S ATOM 1014 CE MET A 345 7.514 4.839 0.636 1.00 0.00 C ATOM 0 H MET A 345 4.425 8.543 2.351 1.00 0.00 H new ATOM 0 HA MET A 345 6.248 6.324 2.654 1.00 0.00 H new ATOM 0 HB2 MET A 345 5.857 7.319 0.488 1.00 0.00 H new ATOM 0 HB3 MET A 345 6.290 8.911 1.079 1.00 0.00 H new ATOM 0 HG2 MET A 345 8.072 7.614 -0.244 1.00 0.00 H new ATOM 0 HG3 MET A 345 8.572 8.388 1.246 1.00 0.00 H new ATOM 0 HE1 MET A 345 7.954 3.842 0.639 1.00 0.00 H new ATOM 0 HE2 MET A 345 6.571 4.821 1.183 1.00 0.00 H new ATOM 0 HE3 MET A 345 7.332 5.152 -0.392 1.00 0.00 H new ATOM 1024 N SER A 346 7.231 7.277 4.792 1.00 0.00 N ATOM 1025 CA SER A 346 8.132 7.625 5.883 1.00 0.00 C ATOM 1026 C SER A 346 8.629 6.358 6.581 1.00 0.00 C ATOM 1027 O SER A 346 9.103 6.426 7.715 1.00 0.00 O ATOM 1028 CB SER A 346 7.404 8.520 6.890 1.00 0.00 C ATOM 1029 OG SER A 346 7.022 9.739 6.288 1.00 0.00 O ATOM 0 H SER A 346 6.675 6.442 4.979 1.00 0.00 H new ATOM 0 HA SER A 346 8.988 8.163 5.476 1.00 0.00 H new ATOM 0 HB2 SER A 346 6.522 8.005 7.271 1.00 0.00 H new ATOM 0 HB3 SER A 346 8.052 8.717 7.744 1.00 0.00 H new ATOM 0 HG SER A 346 6.557 10.297 6.946 1.00 0.00 H new ATOM 1035 N LYS A 347 8.523 5.202 5.910 1.00 0.00 N ATOM 1036 CA LYS A 347 8.840 3.911 6.512 1.00 0.00 C ATOM 1037 C LYS A 347 9.599 2.996 5.552 1.00 0.00 C ATOM 1038 O LYS A 347 9.544 1.778 5.710 1.00 0.00 O ATOM 1039 CB LYS A 347 7.545 3.237 6.993 1.00 0.00 C ATOM 1040 CG LYS A 347 6.929 3.925 8.213 1.00 0.00 C ATOM 1041 CD LYS A 347 7.845 3.799 9.435 1.00 0.00 C ATOM 1042 CE LYS A 347 7.198 4.429 10.666 1.00 0.00 C ATOM 1043 NZ LYS A 347 6.003 3.680 11.096 1.00 0.00 N ATOM 0 H LYS A 347 8.216 5.142 4.939 1.00 0.00 H new ATOM 0 HA LYS A 347 9.498 4.089 7.363 1.00 0.00 H new ATOM 0 HB2 LYS A 347 6.820 3.235 6.179 1.00 0.00 H new ATOM 0 HB3 LYS A 347 7.753 2.195 7.237 1.00 0.00 H new ATOM 0 HG2 LYS A 347 6.755 4.978 7.992 1.00 0.00 H new ATOM 0 HG3 LYS A 347 5.958 3.481 8.434 1.00 0.00 H new ATOM 0 HD2 LYS A 347 8.058 2.748 9.629 1.00 0.00 H new ATOM 0 HD3 LYS A 347 8.799 4.285 9.231 1.00 0.00 H new ATOM 0 HE2 LYS A 347 7.921 4.461 11.481 1.00 0.00 H new ATOM 0 HE3 LYS A 347 6.922 5.460 10.445 1.00 0.00 H new ATOM 0 HZ1 LYS A 347 5.689 4.030 12.024 1.00 0.00 H new ATOM 0 HZ2 LYS A 347 5.241 3.812 10.400 1.00 0.00 H new ATOM 0 HZ3 LYS A 347 6.234 2.669 11.168 1.00 0.00 H new ATOM 1057 N ASP A 348 10.302 3.562 4.565 1.00 0.00 N ATOM 1058 CA ASP A 348 11.108 2.790 3.623 1.00 0.00 C ATOM 1059 C ASP A 348 11.901 1.710 4.357 1.00 0.00 C ATOM 1060 O ASP A 348 12.833 2.003 5.105 1.00 0.00 O ATOM 1061 CB ASP A 348 12.002 3.724 2.799 1.00 0.00 C ATOM 1062 CG ASP A 348 12.961 4.548 3.660 1.00 0.00 C ATOM 1063 OD1 ASP A 348 12.472 5.448 4.378 1.00 0.00 O ATOM 1064 OD2 ASP A 348 14.180 4.270 3.592 1.00 0.00 O ATOM 0 H ASP A 348 10.326 4.568 4.400 1.00 0.00 H new ATOM 0 HA ASP A 348 10.451 2.276 2.921 1.00 0.00 H new ATOM 0 HB2 ASP A 348 12.578 3.132 2.088 1.00 0.00 H new ATOM 0 HB3 ASP A 348 11.374 4.399 2.217 1.00 0.00 H new ATOM 1069 N ARG A 349 11.504 0.452 4.122 1.00 0.00 N ATOM 1070 CA ARG A 349 12.030 -0.737 4.779 1.00 0.00 C ATOM 1071 C ARG A 349 12.381 -0.514 6.254 1.00 0.00 C ATOM 1072 O ARG A 349 13.431 -0.945 6.732 1.00 0.00 O ATOM 1073 CB ARG A 349 13.111 -1.396 3.929 1.00 0.00 C ATOM 1074 CG ARG A 349 14.302 -0.506 3.610 1.00 0.00 C ATOM 1075 CD ARG A 349 15.027 -1.233 2.486 1.00 0.00 C ATOM 1076 NE ARG A 349 16.183 -0.470 2.003 1.00 0.00 N ATOM 1077 CZ ARG A 349 17.363 -0.399 2.624 1.00 0.00 C ATOM 1078 NH1 ARG A 349 17.578 -1.048 3.767 1.00 0.00 N ATOM 1079 NH2 ARG A 349 18.345 0.329 2.096 1.00 0.00 N ATOM 0 H ARG A 349 10.778 0.234 3.440 1.00 0.00 H new ATOM 0 HA ARG A 349 11.228 -1.473 4.843 1.00 0.00 H new ATOM 0 HB2 ARG A 349 13.469 -2.286 4.447 1.00 0.00 H new ATOM 0 HB3 ARG A 349 12.664 -1.730 2.993 1.00 0.00 H new ATOM 0 HG2 ARG A 349 13.983 0.489 3.299 1.00 0.00 H new ATOM 0 HG3 ARG A 349 14.946 -0.377 4.480 1.00 0.00 H new ATOM 0 HD2 ARG A 349 15.357 -2.210 2.838 1.00 0.00 H new ATOM 0 HD3 ARG A 349 14.336 -1.408 1.661 1.00 0.00 H new ATOM 0 HE ARG A 349 16.078 0.044 1.128 1.00 0.00 H new ATOM 0 HH11 ARG A 349 16.835 -1.611 4.182 1.00 0.00 H new ATOM 0 HH12 ARG A 349 18.486 -0.983 4.228 1.00 0.00 H new ATOM 0 HH21 ARG A 349 18.194 0.830 1.220 1.00 0.00 H new ATOM 0 HH22 ARG A 349 19.248 0.386 2.567 1.00 0.00 H new ATOM 1093 N ALA A 350 11.480 0.172 6.970 1.00 0.00 N ATOM 1094 CA ALA A 350 11.624 0.536 8.372 1.00 0.00 C ATOM 1095 C ALA A 350 10.910 -0.449 9.305 1.00 0.00 C ATOM 1096 O ALA A 350 10.205 -1.351 8.858 1.00 0.00 O ATOM 1097 CB ALA A 350 11.017 1.926 8.559 1.00 0.00 C ATOM 0 H ALA A 350 10.601 0.497 6.567 1.00 0.00 H new ATOM 0 HA ALA A 350 12.683 0.517 8.628 1.00 0.00 H new ATOM 0 HB1 ALA A 350 11.110 2.226 9.603 1.00 0.00 H new ATOM 0 HB2 ALA A 350 11.544 2.641 7.927 1.00 0.00 H new ATOM 0 HB3 ALA A 350 9.963 1.903 8.281 1.00 0.00 H new ATOM 1103 N ASN A 351 11.102 -0.266 10.616 1.00 0.00 N ATOM 1104 CA ASN A 351 10.464 -1.081 11.641 1.00 0.00 C ATOM 1105 C ASN A 351 8.948 -0.840 11.672 1.00 0.00 C ATOM 1106 O ASN A 351 8.446 0.095 11.051 1.00 0.00 O ATOM 1107 CB ASN A 351 11.111 -0.751 12.992 1.00 0.00 C ATOM 1108 CG ASN A 351 10.649 -1.672 14.115 1.00 0.00 C ATOM 1109 OD1 ASN A 351 10.256 -2.813 13.885 1.00 0.00 O ATOM 1110 ND2 ASN A 351 10.693 -1.180 15.349 1.00 0.00 N ATOM 0 H ASN A 351 11.711 0.460 10.993 1.00 0.00 H new ATOM 0 HA ASN A 351 10.609 -2.138 11.417 1.00 0.00 H new ATOM 0 HB2 ASN A 351 12.195 -0.820 12.896 1.00 0.00 H new ATOM 0 HB3 ASN A 351 10.879 0.281 13.257 1.00 0.00 H new ATOM 0 HD21 ASN A 351 10.395 -1.754 16.138 1.00 0.00 H new ATOM 0 HD22 ASN A 351 11.025 -0.228 15.507 1.00 0.00 H new ATOM 1117 N MET A 352 8.220 -1.692 12.403 1.00 0.00 N ATOM 1118 CA MET A 352 6.769 -1.626 12.517 1.00 0.00 C ATOM 1119 C MET A 352 6.314 -2.049 13.910 1.00 0.00 C ATOM 1120 O MET A 352 5.368 -1.481 14.453 1.00 0.00 O ATOM 1121 CB MET A 352 6.175 -2.573 11.476 1.00 0.00 C ATOM 1122 CG MET A 352 4.655 -2.660 11.594 1.00 0.00 C ATOM 1123 SD MET A 352 3.873 -3.495 10.189 1.00 0.00 S ATOM 1124 CE MET A 352 2.152 -3.486 10.749 1.00 0.00 C ATOM 0 H MET A 352 8.634 -2.456 12.938 1.00 0.00 H new ATOM 0 HA MET A 352 6.434 -0.602 12.350 1.00 0.00 H new ATOM 0 HB2 MET A 352 6.443 -2.230 10.477 1.00 0.00 H new ATOM 0 HB3 MET A 352 6.607 -3.566 11.599 1.00 0.00 H new ATOM 0 HG2 MET A 352 4.399 -3.190 12.511 1.00 0.00 H new ATOM 0 HG3 MET A 352 4.246 -1.653 11.683 1.00 0.00 H new ATOM 0 HE1 MET A 352 1.492 -3.661 9.899 1.00 0.00 H new ATOM 0 HE2 MET A 352 2.006 -4.272 11.490 1.00 0.00 H new ATOM 0 HE3 MET A 352 1.920 -2.519 11.195 1.00 0.00 H new ATOM 1134 N GLN A 353 6.990 -3.047 14.485 1.00 0.00 N ATOM 1135 CA GLN A 353 6.722 -3.515 15.837 1.00 0.00 C ATOM 1136 C GLN A 353 7.901 -4.322 16.363 1.00 0.00 C ATOM 1137 O GLN A 353 8.199 -4.268 17.555 1.00 0.00 O ATOM 1138 CB GLN A 353 5.459 -4.375 15.868 1.00 0.00 C ATOM 1139 CG GLN A 353 5.498 -5.551 14.890 1.00 0.00 C ATOM 1140 CD GLN A 353 4.145 -6.243 14.864 1.00 0.00 C ATOM 1141 OE1 GLN A 353 4.032 -7.425 15.174 1.00 0.00 O ATOM 1142 NE2 GLN A 353 3.105 -5.504 14.491 1.00 0.00 N ATOM 0 H GLN A 353 7.743 -3.553 14.018 1.00 0.00 H new ATOM 0 HA GLN A 353 6.573 -2.643 16.474 1.00 0.00 H new ATOM 0 HB2 GLN A 353 5.314 -4.757 16.878 1.00 0.00 H new ATOM 0 HB3 GLN A 353 4.597 -3.749 15.637 1.00 0.00 H new ATOM 0 HG2 GLN A 353 5.755 -5.197 13.892 1.00 0.00 H new ATOM 0 HG3 GLN A 353 6.273 -6.258 15.187 1.00 0.00 H new ATOM 0 HE21 GLN A 353 3.239 -4.524 14.241 1.00 0.00 H new ATOM 0 HE22 GLN A 353 2.173 -5.917 14.455 1.00 0.00 H new ATOM 1151 N HIS A 354 8.572 -5.068 15.478 1.00 0.00 N ATOM 1152 CA HIS A 354 9.661 -5.935 15.894 1.00 0.00 C ATOM 1153 C HIS A 354 10.504 -6.452 14.723 1.00 0.00 C ATOM 1154 O HIS A 354 11.362 -7.309 14.934 1.00 0.00 O ATOM 1155 CB HIS A 354 9.059 -7.106 16.682 1.00 0.00 C ATOM 1156 CG HIS A 354 8.588 -8.271 15.846 1.00 0.00 C ATOM 1157 ND1 HIS A 354 8.720 -9.601 16.176 1.00 0.00 N ATOM 1158 CD2 HIS A 354 7.957 -8.220 14.634 1.00 0.00 C ATOM 1159 CE1 HIS A 354 8.178 -10.328 15.183 1.00 0.00 C ATOM 1160 NE2 HIS A 354 7.696 -9.530 14.214 1.00 0.00 N ATOM 0 H HIS A 354 8.376 -5.084 14.477 1.00 0.00 H new ATOM 0 HA HIS A 354 10.344 -5.354 16.513 1.00 0.00 H new ATOM 0 HB2 HIS A 354 9.804 -7.467 17.391 1.00 0.00 H new ATOM 0 HB3 HIS A 354 8.217 -6.735 17.266 1.00 0.00 H new ATOM 0 HD2 HIS A 354 7.703 -7.321 14.092 1.00 0.00 H new ATOM 0 HE1 HIS A 354 8.136 -11.407 15.166 1.00 0.00 H new ATOM 0 HE2 HIS A 354 7.235 -9.819 13.351 1.00 0.00 H new ATOM 1168 N ARG A 355 10.286 -5.956 13.496 1.00 0.00 N ATOM 1169 CA ARG A 355 10.941 -6.536 12.329 1.00 0.00 C ATOM 1170 C ARG A 355 11.177 -5.531 11.201 1.00 0.00 C ATOM 1171 O ARG A 355 10.578 -4.459 11.157 1.00 0.00 O ATOM 1172 CB ARG A 355 10.081 -7.698 11.820 1.00 0.00 C ATOM 1173 CG ARG A 355 10.913 -8.728 11.061 1.00 0.00 C ATOM 1174 CD ARG A 355 10.054 -9.951 10.745 1.00 0.00 C ATOM 1175 NE ARG A 355 10.837 -10.958 10.021 1.00 0.00 N ATOM 1176 CZ ARG A 355 10.588 -12.268 10.040 1.00 0.00 C ATOM 1177 NH1 ARG A 355 9.567 -12.762 10.736 1.00 0.00 N ATOM 1178 NH2 ARG A 355 11.368 -13.100 9.354 1.00 0.00 N ATOM 0 H ARG A 355 9.671 -5.168 13.294 1.00 0.00 H new ATOM 0 HA ARG A 355 11.928 -6.878 12.640 1.00 0.00 H new ATOM 0 HB2 ARG A 355 9.586 -8.180 12.663 1.00 0.00 H new ATOM 0 HB3 ARG A 355 9.297 -7.312 11.168 1.00 0.00 H new ATOM 0 HG2 ARG A 355 11.296 -8.292 10.138 1.00 0.00 H new ATOM 0 HG3 ARG A 355 11.777 -9.022 11.657 1.00 0.00 H new ATOM 0 HD2 ARG A 355 9.667 -10.379 11.670 1.00 0.00 H new ATOM 0 HD3 ARG A 355 9.193 -9.653 10.147 1.00 0.00 H new ATOM 0 HE ARG A 355 11.627 -10.634 9.464 1.00 0.00 H new ATOM 0 HH11 ARG A 355 8.961 -12.136 11.266 1.00 0.00 H new ATOM 0 HH12 ARG A 355 9.391 -13.767 10.740 1.00 0.00 H new ATOM 0 HH21 ARG A 355 12.154 -12.735 8.816 1.00 0.00 H new ATOM 0 HH22 ARG A 355 11.180 -14.102 9.367 1.00 0.00 H new ATOM 1192 N TYR A 356 12.072 -5.927 10.296 1.00 0.00 N ATOM 1193 CA TYR A 356 12.487 -5.259 9.069 1.00 0.00 C ATOM 1194 C TYR A 356 11.354 -5.225 8.032 1.00 0.00 C ATOM 1195 O TYR A 356 11.537 -5.666 6.902 1.00 0.00 O ATOM 1196 CB TYR A 356 13.725 -6.039 8.596 1.00 0.00 C ATOM 1197 CG TYR A 356 14.240 -5.857 7.181 1.00 0.00 C ATOM 1198 CD1 TYR A 356 14.425 -4.586 6.609 1.00 0.00 C ATOM 1199 CD2 TYR A 356 14.544 -7.009 6.435 1.00 0.00 C ATOM 1200 CE1 TYR A 356 14.940 -4.475 5.309 1.00 0.00 C ATOM 1201 CE2 TYR A 356 15.025 -6.902 5.127 1.00 0.00 C ATOM 1202 CZ TYR A 356 15.245 -5.631 4.564 1.00 0.00 C ATOM 1203 OH TYR A 356 15.753 -5.523 3.303 1.00 0.00 O ATOM 0 H TYR A 356 12.571 -6.808 10.418 1.00 0.00 H new ATOM 0 HA TYR A 356 12.729 -4.208 9.226 1.00 0.00 H new ATOM 0 HB2 TYR A 356 14.543 -5.791 9.273 1.00 0.00 H new ATOM 0 HB3 TYR A 356 13.511 -7.099 8.729 1.00 0.00 H new ATOM 0 HD1 TYR A 356 14.171 -3.698 7.169 1.00 0.00 H new ATOM 0 HD2 TYR A 356 14.405 -7.985 6.876 1.00 0.00 H new ATOM 0 HE1 TYR A 356 15.103 -3.499 4.877 1.00 0.00 H new ATOM 0 HE2 TYR A 356 15.227 -7.792 4.550 1.00 0.00 H new ATOM 0 HH TYR A 356 15.121 -5.032 2.737 1.00 0.00 H new ATOM 1213 N ILE A 357 10.171 -4.708 8.386 1.00 0.00 N ATOM 1214 CA ILE A 357 9.067 -4.617 7.435 1.00 0.00 C ATOM 1215 C ILE A 357 9.460 -3.691 6.287 1.00 0.00 C ATOM 1216 O ILE A 357 10.348 -2.857 6.444 1.00 0.00 O ATOM 1217 CB ILE A 357 7.801 -4.092 8.121 1.00 0.00 C ATOM 1218 CG1 ILE A 357 7.459 -4.897 9.379 1.00 0.00 C ATOM 1219 CG2 ILE A 357 6.620 -4.174 7.150 1.00 0.00 C ATOM 1220 CD1 ILE A 357 7.268 -6.381 9.086 1.00 0.00 C ATOM 0 H ILE A 357 9.959 -4.350 9.317 1.00 0.00 H new ATOM 0 HA ILE A 357 8.856 -5.613 7.045 1.00 0.00 H new ATOM 0 HB ILE A 357 7.990 -3.059 8.413 1.00 0.00 H new ATOM 0 HG12 ILE A 357 8.255 -4.774 10.113 1.00 0.00 H new ATOM 0 HG13 ILE A 357 6.549 -4.498 9.826 1.00 0.00 H new ATOM 0 HG21 ILE A 357 5.720 -3.800 7.639 1.00 0.00 H new ATOM 0 HG22 ILE A 357 6.831 -3.569 6.268 1.00 0.00 H new ATOM 0 HG23 ILE A 357 6.466 -5.211 6.851 1.00 0.00 H new ATOM 0 HD11 ILE A 357 7.027 -6.906 10.010 1.00 0.00 H new ATOM 0 HD12 ILE A 357 6.453 -6.509 8.373 1.00 0.00 H new ATOM 0 HD13 ILE A 357 8.186 -6.790 8.665 1.00 0.00 H new ATOM 1232 N GLU A 358 8.807 -3.826 5.128 1.00 0.00 N ATOM 1233 CA GLU A 358 9.128 -2.986 3.988 1.00 0.00 C ATOM 1234 C GLU A 358 7.891 -2.650 3.167 1.00 0.00 C ATOM 1235 O GLU A 358 6.927 -3.413 3.130 1.00 0.00 O ATOM 1236 CB GLU A 358 10.156 -3.685 3.090 1.00 0.00 C ATOM 1237 CG GLU A 358 11.339 -4.260 3.867 1.00 0.00 C ATOM 1238 CD GLU A 358 12.399 -4.819 2.919 1.00 0.00 C ATOM 1239 OE1 GLU A 358 13.203 -4.008 2.410 1.00 0.00 O ATOM 1240 OE2 GLU A 358 12.399 -6.052 2.712 1.00 0.00 O ATOM 0 H GLU A 358 8.062 -4.503 4.963 1.00 0.00 H new ATOM 0 HA GLU A 358 9.543 -2.056 4.376 1.00 0.00 H new ATOM 0 HB2 GLU A 358 9.664 -4.489 2.542 1.00 0.00 H new ATOM 0 HB3 GLU A 358 10.526 -2.975 2.350 1.00 0.00 H new ATOM 0 HG2 GLU A 358 11.779 -3.484 4.493 1.00 0.00 H new ATOM 0 HG3 GLU A 358 10.991 -5.048 4.535 1.00 0.00 H new ATOM 1247 N LEU A 359 7.933 -1.492 2.505 1.00 0.00 N ATOM 1248 CA LEU A 359 6.892 -1.054 1.596 1.00 0.00 C ATOM 1249 C LEU A 359 7.520 -0.255 0.455 1.00 0.00 C ATOM 1250 O LEU A 359 8.545 0.399 0.640 1.00 0.00 O ATOM 1251 CB LEU A 359 5.779 -0.314 2.354 1.00 0.00 C ATOM 1252 CG LEU A 359 6.111 1.029 3.022 1.00 0.00 C ATOM 1253 CD1 LEU A 359 7.376 1.002 3.870 1.00 0.00 C ATOM 1254 CD2 LEU A 359 6.250 2.158 2.006 1.00 0.00 C ATOM 0 H LEU A 359 8.704 -0.830 2.592 1.00 0.00 H new ATOM 0 HA LEU A 359 6.398 -1.912 1.140 1.00 0.00 H new ATOM 0 HB2 LEU A 359 4.960 -0.143 1.655 1.00 0.00 H new ATOM 0 HB3 LEU A 359 5.403 -0.984 3.127 1.00 0.00 H new ATOM 0 HG LEU A 359 5.260 1.212 3.678 1.00 0.00 H new ATOM 0 HD11 LEU A 359 7.542 1.987 4.307 1.00 0.00 H new ATOM 0 HD12 LEU A 359 7.265 0.266 4.666 1.00 0.00 H new ATOM 0 HD13 LEU A 359 8.228 0.735 3.245 1.00 0.00 H new ATOM 0 HD21 LEU A 359 6.485 3.087 2.525 1.00 0.00 H new ATOM 0 HD22 LEU A 359 7.051 1.921 1.306 1.00 0.00 H new ATOM 0 HD23 LEU A 359 5.314 2.274 1.460 1.00 0.00 H new ATOM 1266 N PHE A 360 6.899 -0.313 -0.727 1.00 0.00 N ATOM 1267 CA PHE A 360 7.518 0.131 -1.967 1.00 0.00 C ATOM 1268 C PHE A 360 6.526 0.984 -2.762 1.00 0.00 C ATOM 1269 O PHE A 360 5.502 0.481 -3.224 1.00 0.00 O ATOM 1270 CB PHE A 360 7.948 -1.131 -2.738 1.00 0.00 C ATOM 1271 CG PHE A 360 9.300 -1.076 -3.425 1.00 0.00 C ATOM 1272 CD1 PHE A 360 9.624 -0.001 -4.266 1.00 0.00 C ATOM 1273 CD2 PHE A 360 10.240 -2.106 -3.228 1.00 0.00 C ATOM 1274 CE1 PHE A 360 10.861 0.032 -4.923 1.00 0.00 C ATOM 1275 CE2 PHE A 360 11.465 -2.080 -3.896 1.00 0.00 C ATOM 1276 CZ PHE A 360 11.779 -1.010 -4.743 1.00 0.00 C ATOM 0 H PHE A 360 5.951 -0.671 -0.845 1.00 0.00 H new ATOM 0 HA PHE A 360 8.392 0.755 -1.782 1.00 0.00 H new ATOM 0 HB2 PHE A 360 7.952 -1.971 -2.043 1.00 0.00 H new ATOM 0 HB3 PHE A 360 7.190 -1.345 -3.492 1.00 0.00 H new ATOM 0 HD1 PHE A 360 8.918 0.804 -4.407 1.00 0.00 H new ATOM 0 HD2 PHE A 360 10.012 -2.920 -2.556 1.00 0.00 H new ATOM 0 HE1 PHE A 360 11.107 0.862 -5.569 1.00 0.00 H new ATOM 0 HE2 PHE A 360 12.171 -2.886 -3.760 1.00 0.00 H new ATOM 0 HZ PHE A 360 12.729 -0.988 -5.257 1.00 0.00 H new ATOM 1286 N LEU A 361 6.835 2.278 -2.916 1.00 0.00 N ATOM 1287 CA LEU A 361 5.961 3.262 -3.550 1.00 0.00 C ATOM 1288 C LEU A 361 5.576 2.807 -4.962 1.00 0.00 C ATOM 1289 O LEU A 361 6.419 2.309 -5.707 1.00 0.00 O ATOM 1290 CB LEU A 361 6.696 4.613 -3.555 1.00 0.00 C ATOM 1291 CG LEU A 361 5.828 5.883 -3.520 1.00 0.00 C ATOM 1292 CD1 LEU A 361 4.927 6.051 -4.738 1.00 0.00 C ATOM 1293 CD2 LEU A 361 4.936 5.934 -2.282 1.00 0.00 C ATOM 0 H LEU A 361 7.719 2.674 -2.595 1.00 0.00 H new ATOM 0 HA LEU A 361 5.028 3.366 -2.995 1.00 0.00 H new ATOM 0 HB2 LEU A 361 7.366 4.637 -2.695 1.00 0.00 H new ATOM 0 HB3 LEU A 361 7.321 4.655 -4.447 1.00 0.00 H new ATOM 0 HG LEU A 361 6.556 6.695 -3.507 1.00 0.00 H new ATOM 0 HD11 LEU A 361 4.348 6.969 -4.638 1.00 0.00 H new ATOM 0 HD12 LEU A 361 5.539 6.104 -5.639 1.00 0.00 H new ATOM 0 HD13 LEU A 361 4.249 5.200 -4.809 1.00 0.00 H new ATOM 0 HD21 LEU A 361 4.341 6.847 -2.299 1.00 0.00 H new ATOM 0 HD22 LEU A 361 4.273 5.069 -2.276 1.00 0.00 H new ATOM 0 HD23 LEU A 361 5.556 5.922 -1.386 1.00 0.00 H new ATOM 1305 N ASN A 362 4.302 2.980 -5.331 1.00 0.00 N ATOM 1306 CA ASN A 362 3.776 2.566 -6.618 1.00 0.00 C ATOM 1307 C ASN A 362 2.665 3.521 -7.073 1.00 0.00 C ATOM 1308 O ASN A 362 1.565 3.100 -7.435 1.00 0.00 O ATOM 1309 CB ASN A 362 3.298 1.115 -6.511 1.00 0.00 C ATOM 1310 CG ASN A 362 3.023 0.545 -7.891 1.00 0.00 C ATOM 1311 OD1 ASN A 362 1.927 0.073 -8.178 1.00 0.00 O ATOM 1312 ND2 ASN A 362 4.031 0.587 -8.754 1.00 0.00 N ATOM 0 H ASN A 362 3.605 3.419 -4.729 1.00 0.00 H new ATOM 0 HA ASN A 362 4.554 2.612 -7.380 1.00 0.00 H new ATOM 0 HB2 ASN A 362 4.053 0.513 -6.006 1.00 0.00 H new ATOM 0 HB3 ASN A 362 2.394 1.067 -5.904 1.00 0.00 H new ATOM 0 HD21 ASN A 362 3.911 0.218 -9.697 1.00 0.00 H new ATOM 0 HD22 ASN A 362 4.926 0.988 -8.474 1.00 0.00 H new ATOM 1319 N SER A 363 2.954 4.825 -7.055 1.00 0.00 N ATOM 1320 CA SER A 363 2.007 5.831 -7.505 1.00 0.00 C ATOM 1321 C SER A 363 2.718 7.093 -7.980 1.00 0.00 C ATOM 1322 O SER A 363 3.931 7.241 -7.826 1.00 0.00 O ATOM 1323 CB SER A 363 1.052 6.178 -6.364 1.00 0.00 C ATOM 1324 OG SER A 363 1.735 6.874 -5.342 1.00 0.00 O ATOM 0 H SER A 363 3.844 5.204 -6.730 1.00 0.00 H new ATOM 0 HA SER A 363 1.450 5.421 -8.347 1.00 0.00 H new ATOM 0 HB2 SER A 363 0.231 6.788 -6.742 1.00 0.00 H new ATOM 0 HB3 SER A 363 0.612 5.266 -5.960 1.00 0.00 H new ATOM 0 HG SER A 363 1.791 7.824 -5.575 1.00 0.00 H new ATOM 1330 N THR A 364 1.940 8.006 -8.562 1.00 0.00 N ATOM 1331 CA THR A 364 2.405 9.312 -9.004 1.00 0.00 C ATOM 1332 C THR A 364 1.229 10.280 -8.942 1.00 0.00 C ATOM 1333 O THR A 364 0.083 9.842 -8.850 1.00 0.00 O ATOM 1334 CB THR A 364 2.974 9.217 -10.420 1.00 0.00 C ATOM 1335 OG1 THR A 364 3.524 10.460 -10.797 1.00 0.00 O ATOM 1336 CG2 THR A 364 1.877 8.832 -11.407 1.00 0.00 C ATOM 0 H THR A 364 0.948 7.850 -8.741 1.00 0.00 H new ATOM 0 HA THR A 364 3.205 9.673 -8.357 1.00 0.00 H new ATOM 0 HB THR A 364 3.751 8.452 -10.433 1.00 0.00 H new ATOM 0 HG1 THR A 364 3.889 10.395 -11.704 1.00 0.00 H new ATOM 0 HG21 THR A 364 2.297 8.768 -12.411 1.00 0.00 H new ATOM 0 HG22 THR A 364 1.458 7.866 -11.127 1.00 0.00 H new ATOM 0 HG23 THR A 364 1.091 9.587 -11.390 1.00 0.00 H new ATOM 1344 N THR A 365 1.495 11.588 -8.989 1.00 0.00 N ATOM 1345 CA THR A 365 0.442 12.596 -8.944 1.00 0.00 C ATOM 1346 C THR A 365 -0.597 12.332 -10.033 1.00 0.00 C ATOM 1347 O THR A 365 -0.261 11.931 -11.146 1.00 0.00 O ATOM 1348 CB THR A 365 1.051 13.997 -9.037 1.00 0.00 C ATOM 1349 OG1 THR A 365 0.037 14.952 -9.253 1.00 0.00 O ATOM 1350 CG2 THR A 365 2.072 14.073 -10.166 1.00 0.00 C ATOM 0 H THR A 365 2.438 11.972 -9.059 1.00 0.00 H new ATOM 0 HA THR A 365 -0.080 12.535 -7.989 1.00 0.00 H new ATOM 0 HB THR A 365 1.557 14.210 -8.095 1.00 0.00 H new ATOM 0 HG1 THR A 365 0.436 15.845 -9.309 1.00 0.00 H new ATOM 0 HG21 THR A 365 2.490 15.079 -10.211 1.00 0.00 H new ATOM 0 HG22 THR A 365 2.872 13.355 -9.982 1.00 0.00 H new ATOM 0 HG23 THR A 365 1.585 13.839 -11.113 1.00 0.00 H new