USER MOD reduce.3.24.130724 H: found=0, std=0, add=677, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 675 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 Single : A 0 THR N :NH3+ -143:sc= 0.0119 (180deg=-0.119) USER MOD Single : A 0 THR OG1 : rot 180:sc= 0.449 USER MOD Single : A 1 MET CE :methyl -172:sc= -0.283 (180deg=-0.374) USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 GLN : amide:sc= -1.18 K(o=-1.2,f=-2.4) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 SER OG : rot 100:sc= 0.175 USER MOD Single : A 21 TYR OH : rot 62:sc= 0.601 USER MOD Single : A 29 THR OG1 : rot 106:sc= 0.502 USER MOD Single : A 36 SER OG : rot 84:sc= 0.46 USER MOD Single : A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 LYS NZ :NH3+ 158:sc= 0.656 (180deg=-0.0751) USER MOD Single : A 57 HIS :FLIP no HD1:sc= 0 F(o=-0.55,f=0) USER MOD Single : A 59 ASN : amide:sc= 0.228 X(o=0.23,f=0) USER MOD Single : A 62 LYS NZ :NH3+ -171:sc= -4.21! (180deg=-4.71!) USER MOD Single : A 63 ASN : amide:sc= -0.0114 K(o=-0.011,f=-0.63) USER MOD Single : A 69 HIS :FLIP no HD1:sc= -0.528 F(o=-1.6,f=-0.53) USER MOD Single : A 73 MET CE :methyl -178:sc= -0.4 (180deg=-0.452) USER MOD Single : A 75 THR OG1 : rot 180:sc= 0 USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 180 N THR A 0 4.048 -7.504 -13.653 1.00 0.00 N ATOM 181 CA THR A 0 4.099 -6.188 -14.282 1.00 0.00 C ATOM 182 C THR A 0 5.529 -5.643 -14.226 1.00 0.00 C ATOM 183 O THR A 0 6.217 -5.795 -13.213 1.00 0.00 O ATOM 184 CB THR A 0 3.102 -5.214 -13.571 1.00 0.00 C ATOM 185 OG1 THR A 0 3.377 -5.157 -12.165 1.00 0.00 O ATOM 186 CG2 THR A 0 1.633 -5.630 -13.787 1.00 0.00 C ATOM 0 H1 THR A 0 3.386 -8.113 -14.175 1.00 0.00 H new ATOM 0 H2 THR A 0 4.996 -7.932 -13.666 1.00 0.00 H new ATOM 0 H3 THR A 0 3.726 -7.406 -12.669 1.00 0.00 H new ATOM 0 HA THR A 0 3.802 -6.275 -15.327 1.00 0.00 H new ATOM 0 HB THR A 0 3.245 -4.230 -14.017 1.00 0.00 H new ATOM 0 HG1 THR A 0 2.747 -4.543 -11.733 1.00 0.00 H new ATOM 0 HG21 THR A 0 0.977 -4.926 -13.276 1.00 0.00 H new ATOM 0 HG22 THR A 0 1.407 -5.628 -14.853 1.00 0.00 H new ATOM 0 HG23 THR A 0 1.475 -6.631 -13.385 1.00 0.00 H new ATOM 194 N MET A 1 5.947 -4.979 -15.308 1.00 0.00 N ATOM 195 CA MET A 1 7.312 -4.469 -15.482 1.00 0.00 C ATOM 196 C MET A 1 7.354 -2.947 -15.269 1.00 0.00 C ATOM 197 O MET A 1 6.512 -2.210 -15.804 1.00 0.00 O ATOM 198 CB MET A 1 7.839 -4.850 -16.892 1.00 0.00 C ATOM 199 CG MET A 1 7.024 -4.313 -18.073 1.00 0.00 C ATOM 200 SD MET A 1 7.784 -4.703 -19.658 1.00 0.00 S ATOM 201 CE MET A 1 6.664 -3.885 -20.779 1.00 0.00 C ATOM 0 H MET A 1 5.337 -4.777 -16.101 1.00 0.00 H new ATOM 0 HA MET A 1 7.960 -4.926 -14.734 1.00 0.00 H new ATOM 0 HB2 MET A 1 8.863 -4.489 -16.987 1.00 0.00 H new ATOM 0 HB3 MET A 1 7.876 -5.937 -16.964 1.00 0.00 H new ATOM 0 HG2 MET A 1 6.019 -4.735 -18.040 1.00 0.00 H new ATOM 0 HG3 MET A 1 6.919 -3.232 -17.978 1.00 0.00 H new ATOM 0 HE1 MET A 1 6.917 -4.152 -21.805 1.00 0.00 H new ATOM 0 HE2 MET A 1 5.642 -4.197 -20.565 1.00 0.00 H new ATOM 0 HE3 MET A 1 6.747 -2.805 -20.653 1.00 0.00 H new ATOM 211 N GLU A 2 8.326 -2.489 -14.462 1.00 0.00 N ATOM 212 CA GLU A 2 8.542 -1.058 -14.186 1.00 0.00 C ATOM 213 C GLU A 2 9.462 -0.469 -15.267 1.00 0.00 C ATOM 214 O GLU A 2 10.470 -1.078 -15.608 1.00 0.00 O ATOM 215 CB GLU A 2 9.161 -0.861 -12.780 1.00 0.00 C ATOM 216 CG GLU A 2 9.278 0.610 -12.335 1.00 0.00 C ATOM 217 CD GLU A 2 10.038 0.798 -11.012 1.00 0.00 C ATOM 218 OE1 GLU A 2 9.474 0.497 -9.938 1.00 0.00 O ATOM 219 OE2 GLU A 2 11.195 1.261 -11.036 1.00 0.00 O ATOM 0 H GLU A 2 8.985 -3.101 -13.982 1.00 0.00 H new ATOM 0 HA GLU A 2 7.583 -0.539 -14.205 1.00 0.00 H new ATOM 0 HB2 GLU A 2 8.556 -1.401 -12.051 1.00 0.00 H new ATOM 0 HB3 GLU A 2 10.153 -1.312 -12.767 1.00 0.00 H new ATOM 0 HG2 GLU A 2 9.782 1.178 -13.117 1.00 0.00 H new ATOM 0 HG3 GLU A 2 8.277 1.030 -12.231 1.00 0.00 H new ATOM 226 N LEU A 3 9.120 0.717 -15.798 1.00 0.00 N ATOM 227 CA LEU A 3 9.797 1.306 -16.973 1.00 0.00 C ATOM 228 C LEU A 3 10.233 2.749 -16.680 1.00 0.00 C ATOM 229 O LEU A 3 9.448 3.521 -16.133 1.00 0.00 O ATOM 230 CB LEU A 3 8.819 1.291 -18.174 1.00 0.00 C ATOM 231 CG LEU A 3 8.140 -0.077 -18.480 1.00 0.00 C ATOM 232 CD1 LEU A 3 6.999 0.090 -19.486 1.00 0.00 C ATOM 233 CD2 LEU A 3 9.170 -1.113 -18.970 1.00 0.00 C ATOM 0 H LEU A 3 8.367 1.297 -15.427 1.00 0.00 H new ATOM 0 HA LEU A 3 10.686 0.719 -17.205 1.00 0.00 H new ATOM 0 HB2 LEU A 3 8.038 2.030 -17.992 1.00 0.00 H new ATOM 0 HB3 LEU A 3 9.361 1.613 -19.063 1.00 0.00 H new ATOM 0 HG LEU A 3 7.712 -0.453 -17.551 1.00 0.00 H new ATOM 0 HD11 LEU A 3 6.542 -0.880 -19.682 1.00 0.00 H new ATOM 0 HD12 LEU A 3 6.250 0.768 -19.077 1.00 0.00 H new ATOM 0 HD13 LEU A 3 7.391 0.501 -20.416 1.00 0.00 H new ATOM 0 HD21 LEU A 3 8.666 -2.058 -19.175 1.00 0.00 H new ATOM 0 HD22 LEU A 3 9.646 -0.750 -19.881 1.00 0.00 H new ATOM 0 HD23 LEU A 3 9.927 -1.265 -18.201 1.00 0.00 H new ATOM 245 N GLU A 4 11.459 3.120 -17.081 1.00 0.00 N ATOM 246 CA GLU A 4 11.980 4.488 -16.910 1.00 0.00 C ATOM 247 C GLU A 4 11.600 5.331 -18.138 1.00 0.00 C ATOM 248 O GLU A 4 12.278 5.289 -19.169 1.00 0.00 O ATOM 249 CB GLU A 4 13.517 4.461 -16.711 1.00 0.00 C ATOM 250 CG GLU A 4 14.186 5.838 -16.519 1.00 0.00 C ATOM 251 CD GLU A 4 15.722 5.751 -16.392 1.00 0.00 C ATOM 252 OE1 GLU A 4 16.415 5.652 -17.424 1.00 0.00 O ATOM 253 OE2 GLU A 4 16.246 5.779 -15.262 1.00 0.00 O ATOM 0 H GLU A 4 12.116 2.483 -17.532 1.00 0.00 H new ATOM 0 HA GLU A 4 11.538 4.937 -16.021 1.00 0.00 H new ATOM 0 HB2 GLU A 4 13.743 3.843 -15.842 1.00 0.00 H new ATOM 0 HB3 GLU A 4 13.969 3.974 -17.575 1.00 0.00 H new ATOM 0 HG2 GLU A 4 13.933 6.479 -17.363 1.00 0.00 H new ATOM 0 HG3 GLU A 4 13.779 6.312 -15.625 1.00 0.00 H new ATOM 260 N LEU A 5 10.497 6.079 -18.039 1.00 0.00 N ATOM 261 CA LEU A 5 9.977 6.858 -19.167 1.00 0.00 C ATOM 262 C LEU A 5 10.522 8.276 -19.101 1.00 0.00 C ATOM 263 O LEU A 5 10.090 9.089 -18.282 1.00 0.00 O ATOM 264 CB LEU A 5 8.440 6.858 -19.168 1.00 0.00 C ATOM 265 CG LEU A 5 7.765 5.470 -19.034 1.00 0.00 C ATOM 266 CD1 LEU A 5 6.245 5.625 -19.081 1.00 0.00 C ATOM 267 CD2 LEU A 5 8.268 4.469 -20.102 1.00 0.00 C ATOM 0 H LEU A 5 9.945 6.162 -17.185 1.00 0.00 H new ATOM 0 HA LEU A 5 10.306 6.398 -20.099 1.00 0.00 H new ATOM 0 HB2 LEU A 5 8.095 7.489 -18.349 1.00 0.00 H new ATOM 0 HB3 LEU A 5 8.096 7.320 -20.093 1.00 0.00 H new ATOM 0 HG LEU A 5 8.045 5.050 -18.068 1.00 0.00 H new ATOM 0 HD11 LEU A 5 5.776 4.645 -18.986 1.00 0.00 H new ATOM 0 HD12 LEU A 5 5.919 6.264 -18.261 1.00 0.00 H new ATOM 0 HD13 LEU A 5 5.954 6.076 -20.030 1.00 0.00 H new ATOM 0 HD21 LEU A 5 7.766 3.511 -19.967 1.00 0.00 H new ATOM 0 HD22 LEU A 5 8.048 4.857 -21.097 1.00 0.00 H new ATOM 0 HD23 LEU A 5 9.344 4.333 -19.995 1.00 0.00 H new ATOM 279 N ARG A 6 11.495 8.546 -19.962 1.00 0.00 N ATOM 280 CA ARG A 6 12.203 9.815 -19.995 1.00 0.00 C ATOM 281 C ARG A 6 11.532 10.731 -21.028 1.00 0.00 C ATOM 282 O ARG A 6 11.498 10.417 -22.204 1.00 0.00 O ATOM 283 CB ARG A 6 13.707 9.572 -20.318 1.00 0.00 C ATOM 284 CG ARG A 6 14.307 8.298 -19.665 1.00 0.00 C ATOM 285 CD ARG A 6 15.836 8.338 -19.532 1.00 0.00 C ATOM 286 NE ARG A 6 16.246 9.329 -18.517 1.00 0.00 N ATOM 287 CZ ARG A 6 17.221 9.167 -17.614 1.00 0.00 C ATOM 288 NH1 ARG A 6 17.973 8.075 -17.615 1.00 0.00 N ATOM 289 NH2 ARG A 6 17.427 10.102 -16.706 1.00 0.00 N ATOM 0 H ARG A 6 11.817 7.880 -20.665 1.00 0.00 H new ATOM 0 HA ARG A 6 12.156 10.305 -19.023 1.00 0.00 H new ATOM 0 HB2 ARG A 6 13.827 9.502 -21.399 1.00 0.00 H new ATOM 0 HB3 ARG A 6 14.281 10.438 -19.989 1.00 0.00 H new ATOM 0 HG2 ARG A 6 13.868 8.165 -18.676 1.00 0.00 H new ATOM 0 HG3 ARG A 6 14.025 7.428 -20.258 1.00 0.00 H new ATOM 0 HD2 ARG A 6 16.208 7.351 -19.255 1.00 0.00 H new ATOM 0 HD3 ARG A 6 16.283 8.589 -20.494 1.00 0.00 H new ATOM 0 HE ARG A 6 15.742 10.215 -18.503 1.00 0.00 H new ATOM 0 HH11 ARG A 6 17.812 7.346 -18.310 1.00 0.00 H new ATOM 0 HH12 ARG A 6 18.713 7.964 -16.921 1.00 0.00 H new ATOM 0 HH21 ARG A 6 16.846 10.940 -16.696 1.00 0.00 H new ATOM 0 HH22 ARG A 6 18.168 9.987 -16.014 1.00 0.00 H new ATOM 303 N PHE A 7 10.991 11.855 -20.562 1.00 0.00 N ATOM 304 CA PHE A 7 10.299 12.846 -21.410 1.00 0.00 C ATOM 305 C PHE A 7 11.218 14.038 -21.643 1.00 0.00 C ATOM 306 O PHE A 7 11.940 14.454 -20.732 1.00 0.00 O ATOM 307 CB PHE A 7 8.979 13.290 -20.744 1.00 0.00 C ATOM 308 CG PHE A 7 7.956 12.168 -20.625 1.00 0.00 C ATOM 309 CD1 PHE A 7 7.984 11.289 -19.551 1.00 0.00 C ATOM 310 CD2 PHE A 7 6.982 11.978 -21.604 1.00 0.00 C ATOM 311 CE1 PHE A 7 7.071 10.259 -19.459 1.00 0.00 C ATOM 312 CE2 PHE A 7 6.069 10.942 -21.511 1.00 0.00 C ATOM 313 CZ PHE A 7 6.118 10.082 -20.438 1.00 0.00 C ATOM 0 H PHE A 7 11.017 12.114 -19.576 1.00 0.00 H new ATOM 0 HA PHE A 7 10.054 12.396 -22.372 1.00 0.00 H new ATOM 0 HB2 PHE A 7 9.196 13.681 -19.750 1.00 0.00 H new ATOM 0 HB3 PHE A 7 8.546 14.107 -21.321 1.00 0.00 H new ATOM 0 HD1 PHE A 7 8.729 11.413 -18.779 1.00 0.00 H new ATOM 0 HD2 PHE A 7 6.939 12.650 -22.448 1.00 0.00 H new ATOM 0 HE1 PHE A 7 7.103 9.587 -18.614 1.00 0.00 H new ATOM 0 HE2 PHE A 7 5.321 10.809 -22.278 1.00 0.00 H new ATOM 0 HZ PHE A 7 5.410 9.269 -20.363 1.00 0.00 H new ATOM 323 N PHE A 8 11.215 14.562 -22.879 1.00 0.00 N ATOM 324 CA PHE A 8 12.055 15.709 -23.277 1.00 0.00 C ATOM 325 C PHE A 8 11.216 16.720 -24.062 1.00 0.00 C ATOM 326 O PHE A 8 10.133 16.382 -24.560 1.00 0.00 O ATOM 327 CB PHE A 8 13.283 15.234 -24.095 1.00 0.00 C ATOM 328 CG PHE A 8 14.100 14.177 -23.361 1.00 0.00 C ATOM 329 CD1 PHE A 8 14.909 14.519 -22.277 1.00 0.00 C ATOM 330 CD2 PHE A 8 14.005 12.837 -23.712 1.00 0.00 C ATOM 331 CE1 PHE A 8 15.595 13.550 -21.570 1.00 0.00 C ATOM 332 CE2 PHE A 8 14.698 11.875 -23.016 1.00 0.00 C ATOM 333 CZ PHE A 8 15.493 12.228 -21.941 1.00 0.00 C ATOM 0 H PHE A 8 10.630 14.203 -23.634 1.00 0.00 H new ATOM 0 HA PHE A 8 12.433 16.201 -22.380 1.00 0.00 H new ATOM 0 HB2 PHE A 8 12.945 14.830 -25.049 1.00 0.00 H new ATOM 0 HB3 PHE A 8 13.920 16.090 -24.319 1.00 0.00 H new ATOM 0 HD1 PHE A 8 15.000 15.555 -21.987 1.00 0.00 H new ATOM 0 HD2 PHE A 8 13.379 12.547 -24.543 1.00 0.00 H new ATOM 0 HE1 PHE A 8 16.210 13.829 -20.728 1.00 0.00 H new ATOM 0 HE2 PHE A 8 14.621 10.839 -23.310 1.00 0.00 H new ATOM 0 HZ PHE A 8 16.032 11.469 -21.394 1.00 0.00 H new ATOM 343 N ALA A 9 11.711 17.972 -24.097 1.00 0.00 N ATOM 344 CA ALA A 9 11.090 19.087 -24.830 1.00 0.00 C ATOM 345 C ALA A 9 9.650 19.388 -24.297 1.00 0.00 C ATOM 346 O ALA A 9 9.476 19.513 -23.075 1.00 0.00 O ATOM 347 CB ALA A 9 11.157 18.805 -26.335 1.00 0.00 C ATOM 0 H ALA A 9 12.566 18.239 -23.609 1.00 0.00 H new ATOM 0 HA ALA A 9 11.648 20.007 -24.654 1.00 0.00 H new ATOM 0 HB1 ALA A 9 10.698 19.629 -26.880 1.00 0.00 H new ATOM 0 HB2 ALA A 9 12.198 18.704 -26.640 1.00 0.00 H new ATOM 0 HB3 ALA A 9 10.623 17.881 -26.556 1.00 0.00 H new ATOM 353 N THR A 10 8.634 19.504 -25.193 1.00 0.00 N ATOM 354 CA THR A 10 7.226 19.727 -24.793 1.00 0.00 C ATOM 355 C THR A 10 6.695 18.576 -23.915 1.00 0.00 C ATOM 356 O THR A 10 6.153 18.822 -22.844 1.00 0.00 O ATOM 357 CB THR A 10 6.309 19.920 -26.044 1.00 0.00 C ATOM 358 OG1 THR A 10 6.743 21.069 -26.790 1.00 0.00 O ATOM 359 CG2 THR A 10 4.821 20.076 -25.681 1.00 0.00 C ATOM 0 H THR A 10 8.770 19.446 -26.202 1.00 0.00 H new ATOM 0 HA THR A 10 7.202 20.642 -24.201 1.00 0.00 H new ATOM 0 HB THR A 10 6.400 19.016 -26.646 1.00 0.00 H new ATOM 0 HG1 THR A 10 6.167 21.186 -27.574 1.00 0.00 H new ATOM 0 HG21 THR A 10 4.236 20.207 -26.591 1.00 0.00 H new ATOM 0 HG22 THR A 10 4.479 19.185 -25.155 1.00 0.00 H new ATOM 0 HG23 THR A 10 4.692 20.948 -25.039 1.00 0.00 H new ATOM 367 N PHE A 11 6.918 17.317 -24.349 1.00 0.00 N ATOM 368 CA PHE A 11 6.439 16.114 -23.615 1.00 0.00 C ATOM 369 C PHE A 11 6.971 16.084 -22.157 1.00 0.00 C ATOM 370 O PHE A 11 6.353 15.478 -21.281 1.00 0.00 O ATOM 371 CB PHE A 11 6.842 14.807 -24.371 1.00 0.00 C ATOM 372 CG PHE A 11 6.058 14.479 -25.662 1.00 0.00 C ATOM 373 CD1 PHE A 11 5.070 15.329 -26.173 1.00 0.00 C ATOM 374 CD2 PHE A 11 6.310 13.289 -26.354 1.00 0.00 C ATOM 375 CE1 PHE A 11 4.370 14.996 -27.321 1.00 0.00 C ATOM 376 CE2 PHE A 11 5.609 12.965 -27.506 1.00 0.00 C ATOM 377 CZ PHE A 11 4.641 13.815 -27.985 1.00 0.00 C ATOM 0 H PHE A 11 7.428 17.101 -25.206 1.00 0.00 H new ATOM 0 HA PHE A 11 5.351 16.170 -23.571 1.00 0.00 H new ATOM 0 HB2 PHE A 11 7.900 14.873 -24.624 1.00 0.00 H new ATOM 0 HB3 PHE A 11 6.730 13.969 -23.683 1.00 0.00 H new ATOM 0 HD1 PHE A 11 4.851 16.257 -25.665 1.00 0.00 H new ATOM 0 HD2 PHE A 11 7.064 12.610 -25.984 1.00 0.00 H new ATOM 0 HE1 PHE A 11 3.609 15.663 -27.699 1.00 0.00 H new ATOM 0 HE2 PHE A 11 5.824 12.044 -28.027 1.00 0.00 H new ATOM 0 HZ PHE A 11 4.093 13.560 -28.880 1.00 0.00 H new ATOM 387 N ARG A 12 8.117 16.765 -21.921 1.00 0.00 N ATOM 388 CA ARG A 12 8.743 16.860 -20.588 1.00 0.00 C ATOM 389 C ARG A 12 7.911 17.740 -19.652 1.00 0.00 C ATOM 390 O ARG A 12 7.563 17.321 -18.542 1.00 0.00 O ATOM 391 CB ARG A 12 10.181 17.428 -20.728 1.00 0.00 C ATOM 392 CG ARG A 12 11.111 17.291 -19.487 1.00 0.00 C ATOM 393 CD ARG A 12 11.302 18.577 -18.662 1.00 0.00 C ATOM 394 NE ARG A 12 10.158 18.873 -17.778 1.00 0.00 N ATOM 395 CZ ARG A 12 9.901 20.068 -17.213 1.00 0.00 C ATOM 396 NH1 ARG A 12 10.669 21.125 -17.452 1.00 0.00 N ATOM 397 NH2 ARG A 12 8.866 20.194 -16.408 1.00 0.00 N ATOM 0 H ARG A 12 8.630 17.262 -22.650 1.00 0.00 H new ATOM 0 HA ARG A 12 8.790 15.862 -20.153 1.00 0.00 H new ATOM 0 HB2 ARG A 12 10.662 16.931 -21.570 1.00 0.00 H new ATOM 0 HB3 ARG A 12 10.106 18.485 -20.982 1.00 0.00 H new ATOM 0 HG2 ARG A 12 10.707 16.517 -18.834 1.00 0.00 H new ATOM 0 HG3 ARG A 12 12.089 16.946 -19.823 1.00 0.00 H new ATOM 0 HD2 ARG A 12 12.205 18.484 -18.059 1.00 0.00 H new ATOM 0 HD3 ARG A 12 11.457 19.417 -19.340 1.00 0.00 H new ATOM 0 HE ARG A 12 9.510 18.111 -17.579 1.00 0.00 H new ATOM 0 HH11 ARG A 12 11.473 21.041 -18.075 1.00 0.00 H new ATOM 0 HH12 ARG A 12 10.455 22.020 -17.013 1.00 0.00 H new ATOM 0 HH21 ARG A 12 8.267 19.390 -16.217 1.00 0.00 H new ATOM 0 HH22 ARG A 12 8.663 21.095 -15.975 1.00 0.00 H new ATOM 411 N GLU A 13 7.612 18.966 -20.109 1.00 0.00 N ATOM 412 CA GLU A 13 6.889 19.970 -19.301 1.00 0.00 C ATOM 413 C GLU A 13 5.388 19.635 -19.177 1.00 0.00 C ATOM 414 O GLU A 13 4.727 20.081 -18.230 1.00 0.00 O ATOM 415 CB GLU A 13 7.168 21.405 -19.844 1.00 0.00 C ATOM 416 CG GLU A 13 6.839 21.659 -21.339 1.00 0.00 C ATOM 417 CD GLU A 13 5.358 21.973 -21.624 1.00 0.00 C ATOM 418 OE1 GLU A 13 4.858 22.996 -21.114 1.00 0.00 O ATOM 419 OE2 GLU A 13 4.698 21.224 -22.362 1.00 0.00 O ATOM 0 H GLU A 13 7.861 19.291 -21.043 1.00 0.00 H new ATOM 0 HA GLU A 13 7.271 19.940 -18.280 1.00 0.00 H new ATOM 0 HB2 GLU A 13 6.596 22.113 -19.244 1.00 0.00 H new ATOM 0 HB3 GLU A 13 8.222 21.631 -19.684 1.00 0.00 H new ATOM 0 HG2 GLU A 13 7.448 22.489 -21.696 1.00 0.00 H new ATOM 0 HG3 GLU A 13 7.128 20.780 -21.916 1.00 0.00 H new ATOM 426 N VAL A 14 4.871 18.835 -20.126 1.00 0.00 N ATOM 427 CA VAL A 14 3.527 18.224 -20.028 1.00 0.00 C ATOM 428 C VAL A 14 3.433 17.336 -18.774 1.00 0.00 C ATOM 429 O VAL A 14 2.524 17.485 -17.945 1.00 0.00 O ATOM 430 CB VAL A 14 3.190 17.366 -21.309 1.00 0.00 C ATOM 431 CG1 VAL A 14 1.945 16.487 -21.077 1.00 0.00 C ATOM 432 CG2 VAL A 14 3.005 18.262 -22.560 1.00 0.00 C ATOM 0 H VAL A 14 5.369 18.592 -20.982 1.00 0.00 H new ATOM 0 HA VAL A 14 2.801 19.034 -19.955 1.00 0.00 H new ATOM 0 HB VAL A 14 4.040 16.709 -21.494 1.00 0.00 H new ATOM 0 HG11 VAL A 14 1.736 15.907 -21.976 1.00 0.00 H new ATOM 0 HG12 VAL A 14 2.128 15.810 -20.243 1.00 0.00 H new ATOM 0 HG13 VAL A 14 1.089 17.122 -20.848 1.00 0.00 H new ATOM 0 HG21 VAL A 14 2.774 17.638 -23.423 1.00 0.00 H new ATOM 0 HG22 VAL A 14 2.187 18.962 -22.389 1.00 0.00 H new ATOM 0 HG23 VAL A 14 3.924 18.817 -22.749 1.00 0.00 H new ATOM 442 N VAL A 15 4.398 16.418 -18.657 1.00 0.00 N ATOM 443 CA VAL A 15 4.488 15.483 -17.527 1.00 0.00 C ATOM 444 C VAL A 15 5.005 16.207 -16.266 1.00 0.00 C ATOM 445 O VAL A 15 4.734 15.783 -15.134 1.00 0.00 O ATOM 446 CB VAL A 15 5.389 14.250 -17.925 1.00 0.00 C ATOM 447 CG1 VAL A 15 5.621 13.266 -16.749 1.00 0.00 C ATOM 448 CG2 VAL A 15 4.752 13.513 -19.127 1.00 0.00 C ATOM 0 H VAL A 15 5.142 16.301 -19.345 1.00 0.00 H new ATOM 0 HA VAL A 15 3.495 15.102 -17.287 1.00 0.00 H new ATOM 0 HB VAL A 15 6.370 14.638 -18.200 1.00 0.00 H new ATOM 0 HG11 VAL A 15 6.247 12.439 -17.084 1.00 0.00 H new ATOM 0 HG12 VAL A 15 6.117 13.788 -15.930 1.00 0.00 H new ATOM 0 HG13 VAL A 15 4.662 12.878 -16.405 1.00 0.00 H new ATOM 0 HG21 VAL A 15 5.374 12.661 -19.403 1.00 0.00 H new ATOM 0 HG22 VAL A 15 3.757 13.162 -18.853 1.00 0.00 H new ATOM 0 HG23 VAL A 15 4.676 14.196 -19.973 1.00 0.00 H new ATOM 458 N GLY A 16 5.700 17.337 -16.488 1.00 0.00 N ATOM 459 CA GLY A 16 6.331 18.106 -15.417 1.00 0.00 C ATOM 460 C GLY A 16 7.579 17.423 -14.864 1.00 0.00 C ATOM 461 O GLY A 16 8.115 17.839 -13.836 1.00 0.00 O ATOM 0 H GLY A 16 5.836 17.737 -17.416 1.00 0.00 H new ATOM 0 HA2 GLY A 16 6.598 19.094 -15.792 1.00 0.00 H new ATOM 0 HA3 GLY A 16 5.614 18.254 -14.610 1.00 0.00 H new ATOM 465 N GLN A 17 8.051 16.374 -15.574 1.00 0.00 N ATOM 466 CA GLN A 17 9.200 15.539 -15.158 1.00 0.00 C ATOM 467 C GLN A 17 10.008 15.153 -16.415 1.00 0.00 C ATOM 468 O GLN A 17 9.414 14.973 -17.491 1.00 0.00 O ATOM 469 CB GLN A 17 8.738 14.235 -14.411 1.00 0.00 C ATOM 470 CG GLN A 17 7.536 14.389 -13.440 1.00 0.00 C ATOM 471 CD GLN A 17 7.344 13.213 -12.473 1.00 0.00 C ATOM 472 OE1 GLN A 17 8.301 12.564 -12.065 1.00 0.00 O ATOM 473 NE2 GLN A 17 6.104 12.934 -12.096 1.00 0.00 N ATOM 0 H GLN A 17 7.641 16.080 -16.461 1.00 0.00 H new ATOM 0 HA GLN A 17 9.812 16.116 -14.464 1.00 0.00 H new ATOM 0 HB2 GLN A 17 8.480 13.485 -15.159 1.00 0.00 H new ATOM 0 HB3 GLN A 17 9.586 13.845 -13.848 1.00 0.00 H new ATOM 0 HG2 GLN A 17 7.669 15.302 -12.860 1.00 0.00 H new ATOM 0 HG3 GLN A 17 6.625 14.513 -14.026 1.00 0.00 H new ATOM 0 HE21 GLN A 17 5.326 13.490 -12.451 1.00 0.00 H new ATOM 0 HE22 GLN A 17 5.928 12.163 -11.451 1.00 0.00 H new ATOM 482 N LYS A 18 11.344 15.028 -16.284 1.00 0.00 N ATOM 483 CA LYS A 18 12.231 14.630 -17.408 1.00 0.00 C ATOM 484 C LYS A 18 12.411 13.109 -17.482 1.00 0.00 C ATOM 485 O LYS A 18 12.819 12.585 -18.518 1.00 0.00 O ATOM 486 CB LYS A 18 13.607 15.348 -17.315 1.00 0.00 C ATOM 487 CG LYS A 18 14.461 15.001 -16.075 1.00 0.00 C ATOM 488 CD LYS A 18 15.792 15.799 -16.031 1.00 0.00 C ATOM 489 CE LYS A 18 16.678 15.546 -17.268 1.00 0.00 C ATOM 490 NZ LYS A 18 17.951 16.307 -17.219 1.00 0.00 N ATOM 0 H LYS A 18 11.839 15.197 -15.408 1.00 0.00 H new ATOM 0 HA LYS A 18 11.744 14.945 -18.331 1.00 0.00 H new ATOM 0 HB2 LYS A 18 14.183 15.108 -18.209 1.00 0.00 H new ATOM 0 HB3 LYS A 18 13.436 16.424 -17.326 1.00 0.00 H new ATOM 0 HG2 LYS A 18 13.886 15.208 -15.172 1.00 0.00 H new ATOM 0 HG3 LYS A 18 14.680 13.933 -16.076 1.00 0.00 H new ATOM 0 HD2 LYS A 18 15.570 16.864 -15.959 1.00 0.00 H new ATOM 0 HD3 LYS A 18 16.344 15.527 -15.132 1.00 0.00 H new ATOM 0 HE2 LYS A 18 16.898 14.481 -17.342 1.00 0.00 H new ATOM 0 HE3 LYS A 18 16.128 15.822 -18.168 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 18.510 16.103 -18.072 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 17.745 17.325 -17.175 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 18.491 16.026 -16.376 1.00 0.00 H new ATOM 504 N SER A 19 12.135 12.417 -16.365 1.00 0.00 N ATOM 505 CA SER A 19 12.155 10.944 -16.280 1.00 0.00 C ATOM 506 C SER A 19 11.228 10.502 -15.129 1.00 0.00 C ATOM 507 O SER A 19 11.300 11.057 -14.023 1.00 0.00 O ATOM 508 CB SER A 19 13.588 10.402 -16.021 1.00 0.00 C ATOM 509 OG SER A 19 14.563 11.018 -16.855 1.00 0.00 O ATOM 0 H SER A 19 11.889 12.868 -15.484 1.00 0.00 H new ATOM 0 HA SER A 19 11.812 10.540 -17.233 1.00 0.00 H new ATOM 0 HB2 SER A 19 13.852 10.567 -14.976 1.00 0.00 H new ATOM 0 HB3 SER A 19 13.601 9.325 -16.187 1.00 0.00 H new ATOM 0 HG SER A 19 15.031 11.716 -16.351 1.00 0.00 H new ATOM 515 N ILE A 20 10.360 9.524 -15.402 1.00 0.00 N ATOM 516 CA ILE A 20 9.469 8.907 -14.400 1.00 0.00 C ATOM 517 C ILE A 20 9.722 7.390 -14.385 1.00 0.00 C ATOM 518 O ILE A 20 10.507 6.876 -15.194 1.00 0.00 O ATOM 519 CB ILE A 20 7.947 9.194 -14.726 1.00 0.00 C ATOM 520 CG1 ILE A 20 7.493 8.446 -16.010 1.00 0.00 C ATOM 521 CG2 ILE A 20 7.692 10.708 -14.882 1.00 0.00 C ATOM 522 CD1 ILE A 20 6.066 8.754 -16.461 1.00 0.00 C ATOM 0 H ILE A 20 10.250 9.129 -16.336 1.00 0.00 H new ATOM 0 HA ILE A 20 9.685 9.339 -13.423 1.00 0.00 H new ATOM 0 HB ILE A 20 7.360 8.823 -13.886 1.00 0.00 H new ATOM 0 HG12 ILE A 20 8.177 8.697 -16.821 1.00 0.00 H new ATOM 0 HG13 ILE A 20 7.581 7.373 -15.839 1.00 0.00 H new ATOM 0 HG21 ILE A 20 6.639 10.878 -15.106 1.00 0.00 H new ATOM 0 HG22 ILE A 20 7.953 11.218 -13.955 1.00 0.00 H new ATOM 0 HG23 ILE A 20 8.303 11.098 -15.696 1.00 0.00 H new ATOM 0 HD11 ILE A 20 5.839 8.187 -17.364 1.00 0.00 H new ATOM 0 HD12 ILE A 20 5.367 8.476 -15.672 1.00 0.00 H new ATOM 0 HD13 ILE A 20 5.972 9.820 -16.669 1.00 0.00 H new ATOM 534 N TYR A 21 9.063 6.677 -13.461 1.00 0.00 N ATOM 535 CA TYR A 21 8.993 5.206 -13.483 1.00 0.00 C ATOM 536 C TYR A 21 7.517 4.775 -13.436 1.00 0.00 C ATOM 537 O TYR A 21 6.826 4.975 -12.432 1.00 0.00 O ATOM 538 CB TYR A 21 9.791 4.578 -12.316 1.00 0.00 C ATOM 539 CG TYR A 21 11.308 4.823 -12.376 1.00 0.00 C ATOM 540 CD1 TYR A 21 12.165 3.952 -13.065 1.00 0.00 C ATOM 541 CD2 TYR A 21 11.890 5.914 -11.727 1.00 0.00 C ATOM 542 CE1 TYR A 21 13.532 4.160 -13.082 1.00 0.00 C ATOM 543 CE2 TYR A 21 13.254 6.126 -11.754 1.00 0.00 C ATOM 544 CZ TYR A 21 14.070 5.251 -12.431 1.00 0.00 C ATOM 545 OH TYR A 21 15.436 5.461 -12.441 1.00 0.00 O ATOM 0 H TYR A 21 8.564 7.101 -12.679 1.00 0.00 H new ATOM 0 HA TYR A 21 9.450 4.846 -14.405 1.00 0.00 H new ATOM 0 HB2 TYR A 21 9.409 4.975 -11.376 1.00 0.00 H new ATOM 0 HB3 TYR A 21 9.609 3.503 -12.305 1.00 0.00 H new ATOM 0 HD1 TYR A 21 11.750 3.105 -13.591 1.00 0.00 H new ATOM 0 HD2 TYR A 21 11.259 6.608 -11.192 1.00 0.00 H new ATOM 0 HE1 TYR A 21 14.178 3.469 -13.604 1.00 0.00 H new ATOM 0 HE2 TYR A 21 13.679 6.978 -11.244 1.00 0.00 H new ATOM 0 HH TYR A 21 15.741 5.586 -13.364 1.00 0.00 H new ATOM 555 N TRP A 22 7.062 4.196 -14.549 1.00 0.00 N ATOM 556 CA TRP A 22 5.711 3.629 -14.722 1.00 0.00 C ATOM 557 C TRP A 22 5.741 2.133 -14.424 1.00 0.00 C ATOM 558 O TRP A 22 6.788 1.585 -14.084 1.00 0.00 O ATOM 559 CB TRP A 22 5.228 3.864 -16.187 1.00 0.00 C ATOM 560 CG TRP A 22 4.104 4.853 -16.343 1.00 0.00 C ATOM 561 CD1 TRP A 22 4.020 6.110 -15.825 1.00 0.00 C ATOM 562 CD2 TRP A 22 2.915 4.655 -17.101 1.00 0.00 C ATOM 563 NE1 TRP A 22 2.865 6.713 -16.249 1.00 0.00 N ATOM 564 CE2 TRP A 22 2.169 5.838 -17.024 1.00 0.00 C ATOM 565 CE3 TRP A 22 2.418 3.592 -17.851 1.00 0.00 C ATOM 566 CZ2 TRP A 22 0.952 5.988 -17.664 1.00 0.00 C ATOM 567 CZ3 TRP A 22 1.205 3.744 -18.481 1.00 0.00 C ATOM 568 CH2 TRP A 22 0.491 4.940 -18.386 1.00 0.00 C ATOM 0 H TRP A 22 7.638 4.103 -15.386 1.00 0.00 H new ATOM 0 HA TRP A 22 5.023 4.119 -14.033 1.00 0.00 H new ATOM 0 HB2 TRP A 22 6.076 4.206 -16.781 1.00 0.00 H new ATOM 0 HB3 TRP A 22 4.910 2.909 -16.605 1.00 0.00 H new ATOM 0 HD1 TRP A 22 4.755 6.564 -15.176 1.00 0.00 H new ATOM 0 HE1 TRP A 22 2.574 7.664 -16.021 1.00 0.00 H new ATOM 0 HE3 TRP A 22 2.973 2.669 -17.936 1.00 0.00 H new ATOM 0 HZ2 TRP A 22 0.390 6.907 -17.590 1.00 0.00 H new ATOM 0 HZ3 TRP A 22 0.799 2.926 -19.058 1.00 0.00 H new ATOM 0 HH2 TRP A 22 -0.453 5.031 -18.902 1.00 0.00 H new ATOM 579 N ARG A 23 4.580 1.483 -14.573 1.00 0.00 N ATOM 580 CA ARG A 23 4.476 0.031 -14.473 1.00 0.00 C ATOM 581 C ARG A 23 3.238 -0.447 -15.247 1.00 0.00 C ATOM 582 O ARG A 23 2.100 -0.136 -14.873 1.00 0.00 O ATOM 583 CB ARG A 23 4.457 -0.409 -12.979 1.00 0.00 C ATOM 584 CG ARG A 23 4.799 -1.897 -12.752 1.00 0.00 C ATOM 585 CD ARG A 23 5.104 -2.222 -11.282 1.00 0.00 C ATOM 586 NE ARG A 23 5.578 -3.610 -11.112 1.00 0.00 N ATOM 587 CZ ARG A 23 6.510 -4.012 -10.242 1.00 0.00 C ATOM 588 NH1 ARG A 23 7.153 -3.135 -9.481 1.00 0.00 N ATOM 589 NH2 ARG A 23 6.815 -5.298 -10.158 1.00 0.00 N ATOM 0 H ARG A 23 3.694 1.950 -14.765 1.00 0.00 H new ATOM 0 HA ARG A 23 5.349 -0.439 -14.925 1.00 0.00 H new ATOM 0 HB2 ARG A 23 5.166 0.204 -12.423 1.00 0.00 H new ATOM 0 HB3 ARG A 23 3.469 -0.208 -12.565 1.00 0.00 H new ATOM 0 HG2 ARG A 23 3.965 -2.512 -13.089 1.00 0.00 H new ATOM 0 HG3 ARG A 23 5.660 -2.164 -13.364 1.00 0.00 H new ATOM 0 HD2 ARG A 23 5.860 -1.532 -10.907 1.00 0.00 H new ATOM 0 HD3 ARG A 23 4.207 -2.069 -10.683 1.00 0.00 H new ATOM 0 HE ARG A 23 5.159 -4.323 -11.709 1.00 0.00 H new ATOM 0 HH11 ARG A 23 6.938 -2.141 -9.556 1.00 0.00 H new ATOM 0 HH12 ARG A 23 7.862 -3.455 -8.821 1.00 0.00 H new ATOM 0 HH21 ARG A 23 6.340 -5.975 -10.755 1.00 0.00 H new ATOM 0 HH22 ARG A 23 7.525 -5.612 -9.496 1.00 0.00 H new ATOM 603 N VAL A 24 3.490 -1.155 -16.359 1.00 0.00 N ATOM 604 CA VAL A 24 2.464 -1.855 -17.170 1.00 0.00 C ATOM 605 C VAL A 24 2.729 -3.365 -17.043 1.00 0.00 C ATOM 606 O VAL A 24 3.730 -3.742 -16.448 1.00 0.00 O ATOM 607 CB VAL A 24 2.526 -1.418 -18.691 1.00 0.00 C ATOM 608 CG1 VAL A 24 2.245 0.095 -18.866 1.00 0.00 C ATOM 609 CG2 VAL A 24 3.874 -1.814 -19.344 1.00 0.00 C ATOM 0 H VAL A 24 4.433 -1.263 -16.734 1.00 0.00 H new ATOM 0 HA VAL A 24 1.470 -1.598 -16.805 1.00 0.00 H new ATOM 0 HB VAL A 24 1.735 -1.960 -19.210 1.00 0.00 H new ATOM 0 HG11 VAL A 24 2.297 0.355 -19.923 1.00 0.00 H new ATOM 0 HG12 VAL A 24 1.251 0.327 -18.484 1.00 0.00 H new ATOM 0 HG13 VAL A 24 2.989 0.669 -18.314 1.00 0.00 H new ATOM 0 HG21 VAL A 24 3.880 -1.498 -20.387 1.00 0.00 H new ATOM 0 HG22 VAL A 24 4.692 -1.328 -18.813 1.00 0.00 H new ATOM 0 HG23 VAL A 24 4.000 -2.895 -19.292 1.00 0.00 H new ATOM 619 N ASP A 25 1.858 -4.236 -17.593 1.00 0.00 N ATOM 620 CA ASP A 25 2.089 -5.704 -17.533 1.00 0.00 C ATOM 621 C ASP A 25 3.251 -6.102 -18.466 1.00 0.00 C ATOM 622 O ASP A 25 3.601 -5.362 -19.394 1.00 0.00 O ATOM 623 CB ASP A 25 0.802 -6.512 -17.845 1.00 0.00 C ATOM 624 CG ASP A 25 0.335 -6.405 -19.304 1.00 0.00 C ATOM 625 OD1 ASP A 25 -0.220 -5.354 -19.675 1.00 0.00 O ATOM 626 OD2 ASP A 25 0.527 -7.359 -20.081 1.00 0.00 O ATOM 0 H ASP A 25 1.003 -3.961 -18.076 1.00 0.00 H new ATOM 0 HA ASP A 25 2.369 -5.956 -16.510 1.00 0.00 H new ATOM 0 HB2 ASP A 25 0.977 -7.561 -17.607 1.00 0.00 H new ATOM 0 HB3 ASP A 25 0.001 -6.166 -17.192 1.00 0.00 H new ATOM 631 N ASP A 26 3.850 -7.268 -18.198 1.00 0.00 N ATOM 632 CA ASP A 26 5.076 -7.729 -18.883 1.00 0.00 C ATOM 633 C ASP A 26 4.798 -8.166 -20.345 1.00 0.00 C ATOM 634 O ASP A 26 5.718 -8.212 -21.169 1.00 0.00 O ATOM 635 CB ASP A 26 5.708 -8.871 -18.053 1.00 0.00 C ATOM 636 CG ASP A 26 7.032 -9.414 -18.620 1.00 0.00 C ATOM 637 OD1 ASP A 26 8.042 -8.682 -18.596 1.00 0.00 O ATOM 638 OD2 ASP A 26 7.073 -10.581 -19.076 1.00 0.00 O ATOM 0 H ASP A 26 3.502 -7.924 -17.499 1.00 0.00 H new ATOM 0 HA ASP A 26 5.779 -6.899 -18.950 1.00 0.00 H new ATOM 0 HB2 ASP A 26 5.882 -8.513 -17.038 1.00 0.00 H new ATOM 0 HB3 ASP A 26 4.993 -9.691 -17.984 1.00 0.00 H new ATOM 643 N ASP A 27 3.522 -8.469 -20.664 1.00 0.00 N ATOM 644 CA ASP A 27 3.109 -8.830 -22.045 1.00 0.00 C ATOM 645 C ASP A 27 2.897 -7.550 -22.891 1.00 0.00 C ATOM 646 O ASP A 27 2.951 -7.595 -24.124 1.00 0.00 O ATOM 647 CB ASP A 27 1.824 -9.711 -22.021 1.00 0.00 C ATOM 648 CG ASP A 27 1.393 -10.221 -23.416 1.00 0.00 C ATOM 649 OD1 ASP A 27 1.955 -11.231 -23.890 1.00 0.00 O ATOM 650 OD2 ASP A 27 0.482 -9.629 -24.042 1.00 0.00 O ATOM 0 H ASP A 27 2.758 -8.472 -19.988 1.00 0.00 H new ATOM 0 HA ASP A 27 3.903 -9.416 -22.508 1.00 0.00 H new ATOM 0 HB2 ASP A 27 1.993 -10.567 -21.368 1.00 0.00 H new ATOM 0 HB3 ASP A 27 1.007 -9.135 -21.586 1.00 0.00 H new ATOM 655 N ALA A 28 2.674 -6.408 -22.209 1.00 0.00 N ATOM 656 CA ALA A 28 2.559 -5.079 -22.857 1.00 0.00 C ATOM 657 C ALA A 28 3.916 -4.613 -23.418 1.00 0.00 C ATOM 658 O ALA A 28 4.960 -5.134 -23.029 1.00 0.00 O ATOM 659 CB ALA A 28 2.010 -4.049 -21.864 1.00 0.00 C ATOM 0 H ALA A 28 2.568 -6.378 -21.195 1.00 0.00 H new ATOM 0 HA ALA A 28 1.864 -5.170 -23.692 1.00 0.00 H new ATOM 0 HB1 ALA A 28 1.931 -3.078 -22.353 1.00 0.00 H new ATOM 0 HB2 ALA A 28 1.024 -4.364 -21.521 1.00 0.00 H new ATOM 0 HB3 ALA A 28 2.684 -3.971 -21.011 1.00 0.00 H new ATOM 665 N THR A 29 3.888 -3.629 -24.335 1.00 0.00 N ATOM 666 CA THR A 29 5.101 -3.067 -24.982 1.00 0.00 C ATOM 667 C THR A 29 5.008 -1.525 -25.082 1.00 0.00 C ATOM 668 O THR A 29 4.068 -0.920 -24.554 1.00 0.00 O ATOM 669 CB THR A 29 5.353 -3.696 -26.400 1.00 0.00 C ATOM 670 OG1 THR A 29 4.132 -3.717 -27.150 1.00 0.00 O ATOM 671 CG2 THR A 29 5.944 -5.113 -26.337 1.00 0.00 C ATOM 0 H THR A 29 3.022 -3.195 -24.654 1.00 0.00 H new ATOM 0 HA THR A 29 5.952 -3.325 -24.351 1.00 0.00 H new ATOM 0 HB THR A 29 6.092 -3.065 -26.894 1.00 0.00 H new ATOM 0 HG1 THR A 29 4.159 -3.020 -27.838 1.00 0.00 H new ATOM 0 HG21 THR A 29 6.094 -5.490 -27.349 1.00 0.00 H new ATOM 0 HG22 THR A 29 6.900 -5.085 -25.815 1.00 0.00 H new ATOM 0 HG23 THR A 29 5.258 -5.770 -25.803 1.00 0.00 H new ATOM 679 N VAL A 30 6.009 -0.915 -25.771 1.00 0.00 N ATOM 680 CA VAL A 30 6.224 0.560 -25.870 1.00 0.00 C ATOM 681 C VAL A 30 4.937 1.309 -26.287 1.00 0.00 C ATOM 682 O VAL A 30 4.633 2.388 -25.770 1.00 0.00 O ATOM 683 CB VAL A 30 7.369 0.879 -26.920 1.00 0.00 C ATOM 684 CG1 VAL A 30 7.687 2.394 -27.002 1.00 0.00 C ATOM 685 CG2 VAL A 30 8.654 0.064 -26.629 1.00 0.00 C ATOM 0 H VAL A 30 6.709 -1.447 -26.288 1.00 0.00 H new ATOM 0 HA VAL A 30 6.515 0.906 -24.878 1.00 0.00 H new ATOM 0 HB VAL A 30 6.987 0.573 -27.894 1.00 0.00 H new ATOM 0 HG11 VAL A 30 8.477 2.561 -27.734 1.00 0.00 H new ATOM 0 HG12 VAL A 30 6.792 2.938 -27.304 1.00 0.00 H new ATOM 0 HG13 VAL A 30 8.016 2.750 -26.026 1.00 0.00 H new ATOM 0 HG21 VAL A 30 9.416 0.309 -27.369 1.00 0.00 H new ATOM 0 HG22 VAL A 30 9.023 0.310 -25.633 1.00 0.00 H new ATOM 0 HG23 VAL A 30 8.429 -1.001 -26.680 1.00 0.00 H new ATOM 695 N GLY A 31 4.182 0.675 -27.185 1.00 0.00 N ATOM 696 CA GLY A 31 2.962 1.236 -27.741 1.00 0.00 C ATOM 697 C GLY A 31 1.818 1.294 -26.743 1.00 0.00 C ATOM 698 O GLY A 31 1.060 2.260 -26.731 1.00 0.00 O ATOM 0 H GLY A 31 4.407 -0.252 -27.547 1.00 0.00 H new ATOM 0 HA2 GLY A 31 3.167 2.242 -28.107 1.00 0.00 H new ATOM 0 HA3 GLY A 31 2.655 0.640 -28.601 1.00 0.00 H new ATOM 702 N ASP A 32 1.704 0.248 -25.903 1.00 0.00 N ATOM 703 CA ASP A 32 0.697 0.183 -24.821 1.00 0.00 C ATOM 704 C ASP A 32 0.989 1.247 -23.746 1.00 0.00 C ATOM 705 O ASP A 32 0.070 1.803 -23.129 1.00 0.00 O ATOM 706 CB ASP A 32 0.670 -1.233 -24.186 1.00 0.00 C ATOM 707 CG ASP A 32 -0.319 -1.355 -23.004 1.00 0.00 C ATOM 708 OD1 ASP A 32 -1.533 -1.538 -23.239 1.00 0.00 O ATOM 709 OD2 ASP A 32 0.113 -1.262 -21.831 1.00 0.00 O ATOM 0 H ASP A 32 2.305 -0.575 -25.953 1.00 0.00 H new ATOM 0 HA ASP A 32 -0.283 0.387 -25.253 1.00 0.00 H new ATOM 0 HB2 ASP A 32 0.402 -1.962 -24.951 1.00 0.00 H new ATOM 0 HB3 ASP A 32 1.672 -1.488 -23.840 1.00 0.00 H new ATOM 714 N VAL A 33 2.285 1.509 -23.539 1.00 0.00 N ATOM 715 CA VAL A 33 2.764 2.504 -22.577 1.00 0.00 C ATOM 716 C VAL A 33 2.283 3.911 -22.970 1.00 0.00 C ATOM 717 O VAL A 33 1.507 4.518 -22.227 1.00 0.00 O ATOM 718 CB VAL A 33 4.331 2.441 -22.484 1.00 0.00 C ATOM 719 CG1 VAL A 33 4.902 3.517 -21.547 1.00 0.00 C ATOM 720 CG2 VAL A 33 4.782 1.036 -22.038 1.00 0.00 C ATOM 0 H VAL A 33 3.035 1.032 -24.039 1.00 0.00 H new ATOM 0 HA VAL A 33 2.352 2.279 -21.593 1.00 0.00 H new ATOM 0 HB VAL A 33 4.726 2.644 -23.479 1.00 0.00 H new ATOM 0 HG11 VAL A 33 5.988 3.433 -21.516 1.00 0.00 H new ATOM 0 HG12 VAL A 33 4.625 4.505 -21.916 1.00 0.00 H new ATOM 0 HG13 VAL A 33 4.498 3.378 -20.544 1.00 0.00 H new ATOM 0 HG21 VAL A 33 5.870 1.005 -21.977 1.00 0.00 H new ATOM 0 HG22 VAL A 33 4.358 0.811 -21.060 1.00 0.00 H new ATOM 0 HG23 VAL A 33 4.438 0.297 -22.761 1.00 0.00 H new ATOM 730 N LEU A 34 2.677 4.386 -24.172 1.00 0.00 N ATOM 731 CA LEU A 34 2.285 5.724 -24.665 1.00 0.00 C ATOM 732 C LEU A 34 0.752 5.807 -24.887 1.00 0.00 C ATOM 733 O LEU A 34 0.149 6.866 -24.697 1.00 0.00 O ATOM 734 CB LEU A 34 3.139 6.164 -25.908 1.00 0.00 C ATOM 735 CG LEU A 34 3.364 5.135 -27.070 1.00 0.00 C ATOM 736 CD1 LEU A 34 2.172 5.063 -28.032 1.00 0.00 C ATOM 737 CD2 LEU A 34 4.677 5.436 -27.842 1.00 0.00 C ATOM 0 H LEU A 34 3.267 3.862 -24.819 1.00 0.00 H new ATOM 0 HA LEU A 34 2.516 6.458 -23.893 1.00 0.00 H new ATOM 0 HB2 LEU A 34 2.667 7.048 -26.336 1.00 0.00 H new ATOM 0 HB3 LEU A 34 4.119 6.470 -25.544 1.00 0.00 H new ATOM 0 HG LEU A 34 3.456 4.155 -26.602 1.00 0.00 H new ATOM 0 HD11 LEU A 34 2.381 4.336 -28.817 1.00 0.00 H new ATOM 0 HD12 LEU A 34 1.280 4.759 -27.484 1.00 0.00 H new ATOM 0 HD13 LEU A 34 2.006 6.043 -28.480 1.00 0.00 H new ATOM 0 HD21 LEU A 34 4.805 4.706 -28.641 1.00 0.00 H new ATOM 0 HD22 LEU A 34 4.626 6.437 -28.270 1.00 0.00 H new ATOM 0 HD23 LEU A 34 5.523 5.377 -27.158 1.00 0.00 H new ATOM 749 N ARG A 35 0.134 4.666 -25.234 1.00 0.00 N ATOM 750 CA ARG A 35 -1.339 4.525 -25.304 1.00 0.00 C ATOM 751 C ARG A 35 -2.013 4.975 -23.992 1.00 0.00 C ATOM 752 O ARG A 35 -2.969 5.757 -23.995 1.00 0.00 O ATOM 753 CB ARG A 35 -1.708 3.042 -25.660 1.00 0.00 C ATOM 754 CG ARG A 35 -3.165 2.580 -25.395 1.00 0.00 C ATOM 755 CD ARG A 35 -4.207 3.522 -25.997 1.00 0.00 C ATOM 756 NE ARG A 35 -5.576 3.135 -25.633 1.00 0.00 N ATOM 757 CZ ARG A 35 -6.331 3.757 -24.714 1.00 0.00 C ATOM 758 NH1 ARG A 35 -5.851 4.797 -24.026 1.00 0.00 N ATOM 759 NH2 ARG A 35 -7.559 3.322 -24.480 1.00 0.00 N ATOM 0 H ARG A 35 0.637 3.812 -25.475 1.00 0.00 H new ATOM 0 HA ARG A 35 -1.716 5.179 -26.090 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -1.494 2.887 -26.717 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -1.041 2.386 -25.100 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -3.305 1.581 -25.808 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -3.327 2.506 -24.320 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -4.015 4.539 -25.656 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -4.108 3.526 -27.082 1.00 0.00 H new ATOM 0 HE ARG A 35 -5.984 2.334 -26.115 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -4.901 5.127 -24.197 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -6.435 5.261 -23.330 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -7.923 2.521 -24.996 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -8.141 3.788 -23.784 1.00 0.00 H new ATOM 773 N SER A 36 -1.532 4.432 -22.903 1.00 0.00 N ATOM 774 CA SER A 36 -2.052 4.698 -21.575 1.00 0.00 C ATOM 775 C SER A 36 -1.613 6.085 -21.025 1.00 0.00 C ATOM 776 O SER A 36 -2.337 6.689 -20.227 1.00 0.00 O ATOM 777 CB SER A 36 -1.662 3.540 -20.676 1.00 0.00 C ATOM 778 OG SER A 36 -2.140 2.314 -21.206 1.00 0.00 O ATOM 0 H SER A 36 -0.750 3.777 -22.909 1.00 0.00 H new ATOM 0 HA SER A 36 -3.139 4.765 -21.612 1.00 0.00 H new ATOM 0 HB2 SER A 36 -0.577 3.500 -20.575 1.00 0.00 H new ATOM 0 HB3 SER A 36 -2.070 3.694 -19.677 1.00 0.00 H new ATOM 0 HG SER A 36 -1.506 1.976 -21.873 1.00 0.00 H new ATOM 784 N LEU A 37 -0.401 6.543 -21.412 1.00 0.00 N ATOM 785 CA LEU A 37 0.166 7.855 -20.980 1.00 0.00 C ATOM 786 C LEU A 37 -0.806 9.025 -21.232 1.00 0.00 C ATOM 787 O LEU A 37 -1.030 9.849 -20.348 1.00 0.00 O ATOM 788 CB LEU A 37 1.539 8.148 -21.685 1.00 0.00 C ATOM 789 CG LEU A 37 2.825 7.986 -20.821 1.00 0.00 C ATOM 790 CD1 LEU A 37 2.774 8.863 -19.550 1.00 0.00 C ATOM 791 CD2 LEU A 37 3.084 6.522 -20.480 1.00 0.00 C ATOM 0 H LEU A 37 0.217 6.019 -22.032 1.00 0.00 H new ATOM 0 HA LEU A 37 0.328 7.776 -19.905 1.00 0.00 H new ATOM 0 HB2 LEU A 37 1.625 7.487 -22.548 1.00 0.00 H new ATOM 0 HB3 LEU A 37 1.513 9.169 -22.066 1.00 0.00 H new ATOM 0 HG LEU A 37 3.665 8.337 -21.420 1.00 0.00 H new ATOM 0 HD11 LEU A 37 3.689 8.722 -18.974 1.00 0.00 H new ATOM 0 HD12 LEU A 37 2.682 9.911 -19.835 1.00 0.00 H new ATOM 0 HD13 LEU A 37 1.915 8.575 -18.944 1.00 0.00 H new ATOM 0 HD21 LEU A 37 3.988 6.443 -19.877 1.00 0.00 H new ATOM 0 HD22 LEU A 37 2.238 6.124 -19.920 1.00 0.00 H new ATOM 0 HD23 LEU A 37 3.211 5.951 -21.400 1.00 0.00 H new ATOM 803 N GLU A 38 -1.360 9.087 -22.451 1.00 0.00 N ATOM 804 CA GLU A 38 -2.313 10.147 -22.845 1.00 0.00 C ATOM 805 C GLU A 38 -3.630 10.085 -22.044 1.00 0.00 C ATOM 806 O GLU A 38 -4.315 11.105 -21.885 1.00 0.00 O ATOM 807 CB GLU A 38 -2.632 10.077 -24.353 1.00 0.00 C ATOM 808 CG GLU A 38 -3.110 8.696 -24.847 1.00 0.00 C ATOM 809 CD GLU A 38 -3.927 8.742 -26.148 1.00 0.00 C ATOM 810 OE1 GLU A 38 -5.165 8.896 -26.069 1.00 0.00 O ATOM 811 OE2 GLU A 38 -3.344 8.641 -27.244 1.00 0.00 O ATOM 0 H GLU A 38 -1.165 8.412 -23.190 1.00 0.00 H new ATOM 0 HA GLU A 38 -1.822 11.094 -22.619 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -3.400 10.816 -24.583 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -1.740 10.359 -24.913 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -2.241 8.056 -24.999 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -3.715 8.233 -24.067 1.00 0.00 H new ATOM 818 N ALA A 39 -3.980 8.879 -21.557 1.00 0.00 N ATOM 819 CA ALA A 39 -5.211 8.650 -20.785 1.00 0.00 C ATOM 820 C ALA A 39 -5.144 9.349 -19.414 1.00 0.00 C ATOM 821 O ALA A 39 -6.178 9.590 -18.782 1.00 0.00 O ATOM 822 CB ALA A 39 -5.453 7.140 -20.637 1.00 0.00 C ATOM 0 H ALA A 39 -3.417 8.039 -21.689 1.00 0.00 H new ATOM 0 HA ALA A 39 -6.053 9.085 -21.323 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -6.365 6.972 -20.065 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -5.556 6.689 -21.624 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -4.610 6.686 -20.117 1.00 0.00 H new ATOM 828 N GLU A 40 -3.913 9.665 -18.962 1.00 0.00 N ATOM 829 CA GLU A 40 -3.676 10.467 -17.752 1.00 0.00 C ATOM 830 C GLU A 40 -3.429 11.930 -18.164 1.00 0.00 C ATOM 831 O GLU A 40 -4.147 12.845 -17.747 1.00 0.00 O ATOM 832 CB GLU A 40 -2.447 9.931 -16.959 1.00 0.00 C ATOM 833 CG GLU A 40 -2.329 8.397 -16.916 1.00 0.00 C ATOM 834 CD GLU A 40 -1.259 7.876 -15.935 1.00 0.00 C ATOM 835 OE1 GLU A 40 -0.190 8.521 -15.793 1.00 0.00 O ATOM 836 OE2 GLU A 40 -1.467 6.799 -15.322 1.00 0.00 O ATOM 0 H GLU A 40 -3.056 9.369 -19.429 1.00 0.00 H new ATOM 0 HA GLU A 40 -4.552 10.400 -17.106 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -1.539 10.339 -17.403 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -2.499 10.307 -15.937 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -3.296 7.976 -16.640 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -2.097 8.033 -17.917 1.00 0.00 H new ATOM 843 N TYR A 41 -2.397 12.118 -19.013 1.00 0.00 N ATOM 844 CA TYR A 41 -1.905 13.439 -19.433 1.00 0.00 C ATOM 845 C TYR A 41 -2.602 13.897 -20.727 1.00 0.00 C ATOM 846 O TYR A 41 -2.343 13.352 -21.809 1.00 0.00 O ATOM 847 CB TYR A 41 -0.370 13.402 -19.643 1.00 0.00 C ATOM 848 CG TYR A 41 0.448 13.033 -18.388 1.00 0.00 C ATOM 849 CD1 TYR A 41 0.710 11.699 -18.058 1.00 0.00 C ATOM 850 CD2 TYR A 41 0.944 14.021 -17.530 1.00 0.00 C ATOM 851 CE1 TYR A 41 1.449 11.368 -16.935 1.00 0.00 C ATOM 852 CE2 TYR A 41 1.681 13.693 -16.405 1.00 0.00 C ATOM 853 CZ TYR A 41 1.924 12.368 -16.106 1.00 0.00 C ATOM 854 OH TYR A 41 2.654 12.047 -14.977 1.00 0.00 O ATOM 0 H TYR A 41 -1.878 11.345 -19.429 1.00 0.00 H new ATOM 0 HA TYR A 41 -2.137 14.153 -18.643 1.00 0.00 H new ATOM 0 HB2 TYR A 41 -0.143 12.684 -20.431 1.00 0.00 H new ATOM 0 HB3 TYR A 41 -0.043 14.379 -19.998 1.00 0.00 H new ATOM 0 HD1 TYR A 41 0.328 10.912 -18.692 1.00 0.00 H new ATOM 0 HD2 TYR A 41 0.748 15.060 -17.750 1.00 0.00 H new ATOM 0 HE1 TYR A 41 1.654 10.332 -16.707 1.00 0.00 H new ATOM 0 HE2 TYR A 41 2.065 14.472 -15.763 1.00 0.00 H new ATOM 0 HH TYR A 41 2.911 12.869 -14.509 1.00 0.00 H new ATOM 864 N ASP A 42 -3.485 14.899 -20.600 1.00 0.00 N ATOM 865 CA ASP A 42 -4.206 15.501 -21.748 1.00 0.00 C ATOM 866 C ASP A 42 -3.246 16.272 -22.681 1.00 0.00 C ATOM 867 O ASP A 42 -3.547 16.482 -23.863 1.00 0.00 O ATOM 868 CB ASP A 42 -5.321 16.441 -21.239 1.00 0.00 C ATOM 869 CG ASP A 42 -6.405 15.701 -20.436 1.00 0.00 C ATOM 870 OD1 ASP A 42 -7.381 15.207 -21.045 1.00 0.00 O ATOM 871 OD2 ASP A 42 -6.278 15.593 -19.195 1.00 0.00 O ATOM 0 H ASP A 42 -3.724 15.319 -19.702 1.00 0.00 H new ATOM 0 HA ASP A 42 -4.651 14.691 -22.325 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -4.879 17.217 -20.614 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -5.784 16.942 -22.089 1.00 0.00 H new ATOM 876 N GLY A 43 -2.086 16.676 -22.131 1.00 0.00 N ATOM 877 CA GLY A 43 -1.035 17.365 -22.892 1.00 0.00 C ATOM 878 C GLY A 43 -0.212 16.422 -23.759 1.00 0.00 C ATOM 879 O GLY A 43 0.641 16.876 -24.515 1.00 0.00 O ATOM 0 H GLY A 43 -1.854 16.533 -21.148 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -1.492 18.126 -23.525 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -0.373 17.883 -22.199 1.00 0.00 H new ATOM 883 N LEU A 44 -0.418 15.100 -23.587 1.00 0.00 N ATOM 884 CA LEU A 44 0.193 14.058 -24.437 1.00 0.00 C ATOM 885 C LEU A 44 -0.843 13.460 -25.411 1.00 0.00 C ATOM 886 O LEU A 44 -0.471 12.697 -26.296 1.00 0.00 O ATOM 887 CB LEU A 44 0.783 12.919 -23.567 1.00 0.00 C ATOM 888 CG LEU A 44 2.010 13.265 -22.672 1.00 0.00 C ATOM 889 CD1 LEU A 44 2.458 12.055 -21.827 1.00 0.00 C ATOM 890 CD2 LEU A 44 3.180 13.813 -23.512 1.00 0.00 C ATOM 0 H LEU A 44 -1.016 14.724 -22.851 1.00 0.00 H new ATOM 0 HA LEU A 44 0.991 14.530 -25.010 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -0.010 12.543 -22.921 1.00 0.00 H new ATOM 0 HB3 LEU A 44 1.069 12.102 -24.230 1.00 0.00 H new ATOM 0 HG LEU A 44 1.695 14.049 -21.983 1.00 0.00 H new ATOM 0 HD11 LEU A 44 3.316 12.336 -21.216 1.00 0.00 H new ATOM 0 HD12 LEU A 44 1.639 11.740 -21.180 1.00 0.00 H new ATOM 0 HD13 LEU A 44 2.736 11.233 -22.487 1.00 0.00 H new ATOM 0 HD21 LEU A 44 4.020 14.045 -22.858 1.00 0.00 H new ATOM 0 HD22 LEU A 44 3.485 13.064 -24.243 1.00 0.00 H new ATOM 0 HD23 LEU A 44 2.863 14.718 -24.030 1.00 0.00 H new ATOM 902 N ALA A 45 -2.120 13.841 -25.259 1.00 0.00 N ATOM 903 CA ALA A 45 -3.255 13.224 -25.986 1.00 0.00 C ATOM 904 C ALA A 45 -3.157 13.391 -27.519 1.00 0.00 C ATOM 905 O ALA A 45 -3.050 14.517 -28.016 1.00 0.00 O ATOM 906 CB ALA A 45 -4.570 13.817 -25.467 1.00 0.00 C ATOM 0 H ALA A 45 -2.403 14.589 -24.626 1.00 0.00 H new ATOM 0 HA ALA A 45 -3.221 12.152 -25.794 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -5.408 13.366 -25.999 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -4.665 13.613 -24.401 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -4.573 14.894 -25.632 1.00 0.00 H new ATOM 912 N GLY A 46 -3.156 12.251 -28.252 1.00 0.00 N ATOM 913 CA GLY A 46 -3.237 12.247 -29.725 1.00 0.00 C ATOM 914 C GLY A 46 -1.979 12.731 -30.452 1.00 0.00 C ATOM 915 O GLY A 46 -1.965 12.812 -31.684 1.00 0.00 O ATOM 0 H GLY A 46 -3.099 11.320 -27.840 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -3.461 11.233 -30.057 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -4.075 12.874 -30.028 1.00 0.00 H new ATOM 919 N ARG A 47 -0.924 13.049 -29.689 1.00 0.00 N ATOM 920 CA ARG A 47 0.370 13.537 -30.231 1.00 0.00 C ATOM 921 C ARG A 47 1.499 12.517 -29.975 1.00 0.00 C ATOM 922 O ARG A 47 2.626 12.709 -30.434 1.00 0.00 O ATOM 923 CB ARG A 47 0.719 14.937 -29.643 1.00 0.00 C ATOM 924 CG ARG A 47 0.431 15.058 -28.145 1.00 0.00 C ATOM 925 CD ARG A 47 0.819 16.403 -27.526 1.00 0.00 C ATOM 926 NE ARG A 47 0.315 17.573 -28.272 1.00 0.00 N ATOM 927 CZ ARG A 47 0.181 18.809 -27.760 1.00 0.00 C ATOM 928 NH1 ARG A 47 0.498 19.060 -26.493 1.00 0.00 N ATOM 929 NH2 ARG A 47 -0.280 19.787 -28.521 1.00 0.00 N ATOM 0 H ARG A 47 -0.936 12.978 -28.672 1.00 0.00 H new ATOM 0 HA ARG A 47 0.269 13.645 -31.311 1.00 0.00 H new ATOM 0 HB2 ARG A 47 1.774 15.144 -29.820 1.00 0.00 H new ATOM 0 HB3 ARG A 47 0.151 15.699 -30.177 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -0.633 14.890 -27.979 1.00 0.00 H new ATOM 0 HG3 ARG A 47 0.964 14.265 -27.621 1.00 0.00 H new ATOM 0 HD2 ARG A 47 0.440 16.445 -26.505 1.00 0.00 H new ATOM 0 HD3 ARG A 47 1.906 16.464 -27.465 1.00 0.00 H new ATOM 0 HE ARG A 47 0.049 17.434 -29.247 1.00 0.00 H new ATOM 0 HH11 ARG A 47 0.848 18.310 -25.897 1.00 0.00 H new ATOM 0 HH12 ARG A 47 0.391 20.002 -26.118 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -0.532 19.602 -29.492 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -0.383 20.726 -28.137 1.00 0.00 H new ATOM 943 N LEU A 48 1.171 11.432 -29.248 1.00 0.00 N ATOM 944 CA LEU A 48 2.096 10.299 -28.997 1.00 0.00 C ATOM 945 C LEU A 48 1.568 9.013 -29.675 1.00 0.00 C ATOM 946 O LEU A 48 2.211 7.963 -29.613 1.00 0.00 O ATOM 947 CB LEU A 48 2.319 10.105 -27.460 1.00 0.00 C ATOM 948 CG LEU A 48 1.237 9.361 -26.600 1.00 0.00 C ATOM 949 CD1 LEU A 48 1.504 9.582 -25.095 1.00 0.00 C ATOM 950 CD2 LEU A 48 -0.210 9.715 -26.968 1.00 0.00 C ATOM 0 H LEU A 48 0.255 11.312 -28.815 1.00 0.00 H new ATOM 0 HA LEU A 48 3.066 10.526 -29.439 1.00 0.00 H new ATOM 0 HB2 LEU A 48 3.259 9.568 -27.334 1.00 0.00 H new ATOM 0 HB3 LEU A 48 2.456 11.095 -27.024 1.00 0.00 H new ATOM 0 HG LEU A 48 1.338 8.301 -26.834 1.00 0.00 H new ATOM 0 HD11 LEU A 48 0.746 9.060 -24.511 1.00 0.00 H new ATOM 0 HD12 LEU A 48 2.490 9.194 -24.840 1.00 0.00 H new ATOM 0 HD13 LEU A 48 1.465 10.648 -24.871 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -0.895 9.159 -26.328 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -0.370 10.784 -26.828 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -0.395 9.454 -28.010 1.00 0.00 H new ATOM 962 N ILE A 49 0.371 9.128 -30.304 1.00 0.00 N ATOM 963 CA ILE A 49 -0.245 8.084 -31.155 1.00 0.00 C ATOM 964 C ILE A 49 -0.799 8.737 -32.438 1.00 0.00 C ATOM 965 O ILE A 49 -1.328 9.853 -32.390 1.00 0.00 O ATOM 966 CB ILE A 49 -1.416 7.305 -30.431 1.00 0.00 C ATOM 967 CG1 ILE A 49 -0.867 6.401 -29.296 1.00 0.00 C ATOM 968 CG2 ILE A 49 -2.273 6.459 -31.426 1.00 0.00 C ATOM 969 CD1 ILE A 49 -1.925 5.599 -28.573 1.00 0.00 C ATOM 0 H ILE A 49 -0.203 9.968 -30.231 1.00 0.00 H new ATOM 0 HA ILE A 49 0.535 7.358 -31.384 1.00 0.00 H new ATOM 0 HB ILE A 49 -2.069 8.062 -29.996 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -0.132 5.715 -29.717 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -0.343 7.025 -28.572 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -3.063 5.944 -30.879 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -2.718 7.116 -32.173 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -1.637 5.725 -31.921 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -1.456 4.995 -27.796 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -2.648 6.276 -28.119 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -2.435 4.946 -29.282 1.00 0.00 H new ATOM 981 N GLU A 50 -0.631 8.036 -33.573 1.00 0.00 N ATOM 982 CA GLU A 50 -1.419 8.249 -34.801 1.00 0.00 C ATOM 983 C GLU A 50 -1.664 6.904 -35.478 1.00 0.00 C ATOM 984 O GLU A 50 -0.717 6.189 -35.752 1.00 0.00 O ATOM 985 CB GLU A 50 -0.737 9.212 -35.813 1.00 0.00 C ATOM 986 CG GLU A 50 -1.096 10.687 -35.628 1.00 0.00 C ATOM 987 CD GLU A 50 -2.599 10.977 -35.755 1.00 0.00 C ATOM 988 OE1 GLU A 50 -3.119 10.976 -36.890 1.00 0.00 O ATOM 989 OE2 GLU A 50 -3.272 11.202 -34.719 1.00 0.00 O ATOM 0 H GLU A 50 0.065 7.296 -33.665 1.00 0.00 H new ATOM 0 HA GLU A 50 -2.356 8.718 -34.499 1.00 0.00 H new ATOM 0 HB2 GLU A 50 0.344 9.101 -35.728 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -1.010 8.909 -36.824 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -0.753 11.015 -34.647 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -0.557 11.279 -36.368 1.00 0.00 H new ATOM 996 N ASP A 51 -2.939 6.572 -35.709 1.00 0.00 N ATOM 997 CA ASP A 51 -3.367 5.441 -36.568 1.00 0.00 C ATOM 998 C ASP A 51 -2.792 4.077 -36.073 1.00 0.00 C ATOM 999 O ASP A 51 -2.576 3.140 -36.853 1.00 0.00 O ATOM 1000 CB ASP A 51 -2.976 5.757 -38.054 1.00 0.00 C ATOM 1001 CG ASP A 51 -3.581 4.808 -39.103 1.00 0.00 C ATOM 1002 OD1 ASP A 51 -4.823 4.723 -39.191 1.00 0.00 O ATOM 1003 OD2 ASP A 51 -2.820 4.152 -39.847 1.00 0.00 O ATOM 0 H ASP A 51 -3.722 7.084 -35.302 1.00 0.00 H new ATOM 0 HA ASP A 51 -4.450 5.333 -36.507 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -3.286 6.776 -38.286 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -1.890 5.726 -38.142 1.00 0.00 H new ATOM 1008 N GLY A 52 -2.599 3.972 -34.744 1.00 0.00 N ATOM 1009 CA GLY A 52 -2.129 2.738 -34.096 1.00 0.00 C ATOM 1010 C GLY A 52 -0.610 2.555 -34.079 1.00 0.00 C ATOM 1011 O GLY A 52 -0.122 1.514 -33.637 1.00 0.00 O ATOM 0 H GLY A 52 -2.765 4.740 -34.093 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -2.493 2.723 -33.069 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -2.577 1.885 -34.605 1.00 0.00 H new ATOM 1015 N GLU A 53 0.129 3.549 -34.588 1.00 0.00 N ATOM 1016 CA GLU A 53 1.608 3.631 -34.468 1.00 0.00 C ATOM 1017 C GLU A 53 1.967 4.878 -33.647 1.00 0.00 C ATOM 1018 O GLU A 53 1.065 5.553 -33.132 1.00 0.00 O ATOM 1019 CB GLU A 53 2.275 3.668 -35.869 1.00 0.00 C ATOM 1020 CG GLU A 53 1.710 4.760 -36.782 1.00 0.00 C ATOM 1021 CD GLU A 53 2.309 4.782 -38.191 1.00 0.00 C ATOM 1022 OE1 GLU A 53 1.955 3.899 -38.998 1.00 0.00 O ATOM 1023 OE2 GLU A 53 3.115 5.688 -38.503 1.00 0.00 O ATOM 0 H GLU A 53 -0.278 4.331 -35.101 1.00 0.00 H new ATOM 0 HA GLU A 53 1.985 2.744 -33.958 1.00 0.00 H new ATOM 0 HB2 GLU A 53 3.347 3.824 -35.749 1.00 0.00 H new ATOM 0 HB3 GLU A 53 2.146 2.699 -36.351 1.00 0.00 H new ATOM 0 HG2 GLU A 53 0.631 4.627 -36.862 1.00 0.00 H new ATOM 0 HG3 GLU A 53 1.878 5.730 -36.314 1.00 0.00 H new ATOM 1030 N VAL A 54 3.275 5.174 -33.510 1.00 0.00 N ATOM 1031 CA VAL A 54 3.747 6.266 -32.635 1.00 0.00 C ATOM 1032 C VAL A 54 3.246 7.667 -33.092 1.00 0.00 C ATOM 1033 O VAL A 54 2.562 8.299 -32.318 1.00 0.00 O ATOM 1034 CB VAL A 54 5.320 6.255 -32.466 1.00 0.00 C ATOM 1035 CG1 VAL A 54 5.764 5.061 -31.583 1.00 0.00 C ATOM 1036 CG2 VAL A 54 6.052 6.232 -33.837 1.00 0.00 C ATOM 0 H VAL A 54 4.021 4.674 -33.993 1.00 0.00 H new ATOM 0 HA VAL A 54 3.305 6.073 -31.658 1.00 0.00 H new ATOM 0 HB VAL A 54 5.602 7.182 -31.967 1.00 0.00 H new ATOM 0 HG11 VAL A 54 6.849 5.070 -31.478 1.00 0.00 H new ATOM 0 HG12 VAL A 54 5.303 5.145 -30.599 1.00 0.00 H new ATOM 0 HG13 VAL A 54 5.452 4.127 -32.051 1.00 0.00 H new ATOM 0 HG21 VAL A 54 7.130 6.225 -33.674 1.00 0.00 H new ATOM 0 HG22 VAL A 54 5.763 5.338 -34.389 1.00 0.00 H new ATOM 0 HG23 VAL A 54 5.778 7.117 -34.411 1.00 0.00 H new ATOM 1046 N LYS A 55 3.512 8.078 -34.358 1.00 0.00 N ATOM 1047 CA LYS A 55 3.150 9.426 -34.925 1.00 0.00 C ATOM 1048 C LYS A 55 4.138 9.779 -36.054 1.00 0.00 C ATOM 1049 O LYS A 55 5.339 9.494 -35.927 1.00 0.00 O ATOM 1050 CB LYS A 55 3.141 10.581 -33.837 1.00 0.00 C ATOM 1051 CG LYS A 55 3.245 12.054 -34.318 1.00 0.00 C ATOM 1052 CD LYS A 55 1.906 12.681 -34.753 1.00 0.00 C ATOM 1053 CE LYS A 55 0.907 12.797 -33.597 1.00 0.00 C ATOM 1054 NZ LYS A 55 -0.348 13.493 -33.984 1.00 0.00 N ATOM 0 H LYS A 55 3.991 7.482 -35.033 1.00 0.00 H new ATOM 0 HA LYS A 55 2.132 9.354 -35.308 1.00 0.00 H new ATOM 0 HB2 LYS A 55 2.221 10.485 -33.260 1.00 0.00 H new ATOM 0 HB3 LYS A 55 3.968 10.397 -33.152 1.00 0.00 H new ATOM 0 HG2 LYS A 55 3.669 12.656 -33.515 1.00 0.00 H new ATOM 0 HG3 LYS A 55 3.942 12.101 -35.154 1.00 0.00 H new ATOM 0 HD2 LYS A 55 2.091 13.671 -35.169 1.00 0.00 H new ATOM 0 HD3 LYS A 55 1.468 12.078 -35.548 1.00 0.00 H new ATOM 0 HE2 LYS A 55 0.665 11.799 -33.231 1.00 0.00 H new ATOM 0 HE3 LYS A 55 1.375 13.334 -32.772 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -1.109 13.229 -33.326 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -0.200 14.522 -33.947 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -0.615 13.216 -34.950 1.00 0.00 H new ATOM 1068 N PRO A 56 3.650 10.381 -37.183 1.00 0.00 N ATOM 1069 CA PRO A 56 4.522 11.029 -38.187 1.00 0.00 C ATOM 1070 C PRO A 56 5.333 12.200 -37.579 1.00 0.00 C ATOM 1071 O PRO A 56 4.769 13.075 -36.915 1.00 0.00 O ATOM 1072 CB PRO A 56 3.514 11.540 -39.263 1.00 0.00 C ATOM 1073 CG PRO A 56 2.192 11.581 -38.562 1.00 0.00 C ATOM 1074 CD PRO A 56 2.225 10.429 -37.601 1.00 0.00 C ATOM 0 HA PRO A 56 5.272 10.348 -38.589 1.00 0.00 H new ATOM 0 HB2 PRO A 56 3.796 12.526 -39.632 1.00 0.00 H new ATOM 0 HB3 PRO A 56 3.484 10.873 -40.125 1.00 0.00 H new ATOM 0 HG2 PRO A 56 2.052 12.527 -38.039 1.00 0.00 H new ATOM 0 HG3 PRO A 56 1.368 11.482 -39.268 1.00 0.00 H new ATOM 0 HD2 PRO A 56 1.561 10.593 -36.752 1.00 0.00 H new ATOM 0 HD3 PRO A 56 1.912 9.499 -38.076 1.00 0.00 H new ATOM 1082 N HIS A 57 6.664 12.169 -37.797 1.00 0.00 N ATOM 1083 CA HIS A 57 7.618 13.265 -37.464 1.00 0.00 C ATOM 1084 C HIS A 57 7.986 13.341 -35.966 1.00 0.00 C ATOM 1085 O HIS A 57 8.810 14.191 -35.586 1.00 0.00 O ATOM 1086 CB HIS A 57 7.128 14.653 -37.977 1.00 0.00 C ATOM 1087 CG HIS A 57 6.904 14.735 -39.476 1.00 0.00 C ATOM 1088 ND1 HIS A 57 5.812 14.462 -40.232 1.00 0.00 N flip ATOM 1089 CD2 HIS A 57 7.863 15.180 -40.359 1.00 0.00 C flip ATOM 1090 CE1 HIS A 57 6.130 14.751 -41.532 1.00 0.00 C flip ATOM 1091 NE2 HIS A 57 7.369 15.184 -41.581 1.00 0.00 N flip ATOM 0 H HIS A 57 7.124 11.363 -38.220 1.00 0.00 H new ATOM 0 HA HIS A 57 8.532 13.004 -37.997 1.00 0.00 H new ATOM 0 HB2 HIS A 57 6.196 14.903 -37.470 1.00 0.00 H new ATOM 0 HB3 HIS A 57 7.859 15.409 -37.691 1.00 0.00 H new ATOM 0 HD2 HIS A 57 8.865 15.480 -40.091 1.00 0.00 H new ATOM 0 HE1 HIS A 57 5.469 14.641 -42.379 1.00 0.00 H new ATOM 0 HE2 HIS A 57 7.866 15.475 -42.423 1.00 0.00 H new ATOM 1100 N VAL A 58 7.399 12.459 -35.126 1.00 0.00 N ATOM 1101 CA VAL A 58 7.738 12.385 -33.685 1.00 0.00 C ATOM 1102 C VAL A 58 9.090 11.668 -33.519 1.00 0.00 C ATOM 1103 O VAL A 58 9.489 10.879 -34.384 1.00 0.00 O ATOM 1104 CB VAL A 58 6.610 11.669 -32.830 1.00 0.00 C ATOM 1105 CG1 VAL A 58 6.677 10.127 -32.921 1.00 0.00 C ATOM 1106 CG2 VAL A 58 6.627 12.134 -31.357 1.00 0.00 C ATOM 0 H VAL A 58 6.689 11.789 -35.420 1.00 0.00 H new ATOM 0 HA VAL A 58 7.810 13.403 -33.303 1.00 0.00 H new ATOM 0 HB VAL A 58 5.661 11.973 -33.271 1.00 0.00 H new ATOM 0 HG11 VAL A 58 5.881 9.692 -32.316 1.00 0.00 H new ATOM 0 HG12 VAL A 58 6.554 9.818 -33.959 1.00 0.00 H new ATOM 0 HG13 VAL A 58 7.643 9.782 -32.552 1.00 0.00 H new ATOM 0 HG21 VAL A 58 5.840 11.621 -30.804 1.00 0.00 H new ATOM 0 HG22 VAL A 58 7.594 11.900 -30.913 1.00 0.00 H new ATOM 0 HG23 VAL A 58 6.459 13.210 -31.313 1.00 0.00 H new ATOM 1116 N ASN A 59 9.808 11.963 -32.430 1.00 0.00 N ATOM 1117 CA ASN A 59 11.112 11.346 -32.140 1.00 0.00 C ATOM 1118 C ASN A 59 11.001 10.572 -30.826 1.00 0.00 C ATOM 1119 O ASN A 59 10.965 11.156 -29.761 1.00 0.00 O ATOM 1120 CB ASN A 59 12.194 12.460 -32.077 1.00 0.00 C ATOM 1121 CG ASN A 59 12.386 13.160 -33.430 1.00 0.00 C ATOM 1122 OD1 ASN A 59 11.624 14.066 -33.789 1.00 0.00 O ATOM 1123 ND2 ASN A 59 13.405 12.757 -34.185 1.00 0.00 N ATOM 0 H ASN A 59 9.505 12.634 -31.725 1.00 0.00 H new ATOM 0 HA ASN A 59 11.404 10.645 -32.922 1.00 0.00 H new ATOM 0 HB2 ASN A 59 11.911 13.197 -31.326 1.00 0.00 H new ATOM 0 HB3 ASN A 59 13.141 12.026 -31.757 1.00 0.00 H new ATOM 0 HD21 ASN A 59 13.576 13.198 -35.089 1.00 0.00 H new ATOM 0 HD22 ASN A 59 14.015 12.007 -33.860 1.00 0.00 H new ATOM 1130 N VAL A 60 10.932 9.241 -30.919 1.00 0.00 N ATOM 1131 CA VAL A 60 10.691 8.352 -29.758 1.00 0.00 C ATOM 1132 C VAL A 60 11.738 7.234 -29.728 1.00 0.00 C ATOM 1133 O VAL A 60 11.966 6.570 -30.729 1.00 0.00 O ATOM 1134 CB VAL A 60 9.236 7.752 -29.775 1.00 0.00 C ATOM 1135 CG1 VAL A 60 8.205 8.754 -29.191 1.00 0.00 C ATOM 1136 CG2 VAL A 60 8.820 7.328 -31.206 1.00 0.00 C ATOM 0 H VAL A 60 11.041 8.739 -31.800 1.00 0.00 H new ATOM 0 HA VAL A 60 10.783 8.950 -28.851 1.00 0.00 H new ATOM 0 HB VAL A 60 9.246 6.864 -29.143 1.00 0.00 H new ATOM 0 HG11 VAL A 60 7.210 8.309 -29.217 1.00 0.00 H new ATOM 0 HG12 VAL A 60 8.470 8.990 -28.160 1.00 0.00 H new ATOM 0 HG13 VAL A 60 8.209 9.668 -29.785 1.00 0.00 H new ATOM 0 HG21 VAL A 60 7.810 6.918 -31.185 1.00 0.00 H new ATOM 0 HG22 VAL A 60 8.845 8.196 -31.864 1.00 0.00 H new ATOM 0 HG23 VAL A 60 9.512 6.571 -31.577 1.00 0.00 H new ATOM 1146 N LEU A 61 12.370 7.055 -28.556 1.00 0.00 N ATOM 1147 CA LEU A 61 13.588 6.241 -28.371 1.00 0.00 C ATOM 1148 C LEU A 61 13.373 5.107 -27.342 1.00 0.00 C ATOM 1149 O LEU A 61 12.734 5.297 -26.312 1.00 0.00 O ATOM 1150 CB LEU A 61 14.775 7.148 -27.913 1.00 0.00 C ATOM 1151 CG LEU A 61 15.359 8.162 -28.956 1.00 0.00 C ATOM 1152 CD1 LEU A 61 14.410 9.321 -29.269 1.00 0.00 C ATOM 1153 CD2 LEU A 61 16.748 8.691 -28.523 1.00 0.00 C ATOM 0 H LEU A 61 12.042 7.481 -27.689 1.00 0.00 H new ATOM 0 HA LEU A 61 13.823 5.782 -29.331 1.00 0.00 H new ATOM 0 HB2 LEU A 61 14.448 7.714 -27.041 1.00 0.00 H new ATOM 0 HB3 LEU A 61 15.587 6.499 -27.585 1.00 0.00 H new ATOM 0 HG LEU A 61 15.478 7.597 -29.881 1.00 0.00 H new ATOM 0 HD11 LEU A 61 14.875 9.985 -29.997 1.00 0.00 H new ATOM 0 HD12 LEU A 61 13.479 8.929 -29.678 1.00 0.00 H new ATOM 0 HD13 LEU A 61 14.199 9.876 -28.355 1.00 0.00 H new ATOM 0 HD21 LEU A 61 17.120 9.391 -29.271 1.00 0.00 H new ATOM 0 HD22 LEU A 61 16.661 9.199 -27.562 1.00 0.00 H new ATOM 0 HD23 LEU A 61 17.443 7.856 -28.430 1.00 0.00 H new ATOM 1165 N LYS A 62 13.938 3.933 -27.645 1.00 0.00 N ATOM 1166 CA LYS A 62 14.007 2.777 -26.741 1.00 0.00 C ATOM 1167 C LYS A 62 15.490 2.443 -26.496 1.00 0.00 C ATOM 1168 O LYS A 62 16.174 1.963 -27.407 1.00 0.00 O ATOM 1169 CB LYS A 62 13.248 1.571 -27.369 1.00 0.00 C ATOM 1170 CG LYS A 62 13.359 0.184 -26.674 1.00 0.00 C ATOM 1171 CD LYS A 62 12.593 0.046 -25.331 1.00 0.00 C ATOM 1172 CE LYS A 62 13.329 0.669 -24.146 1.00 0.00 C ATOM 1173 NZ LYS A 62 14.710 0.138 -24.025 1.00 0.00 N ATOM 0 H LYS A 62 14.372 3.755 -28.551 1.00 0.00 H new ATOM 0 HA LYS A 62 13.531 3.004 -25.787 1.00 0.00 H new ATOM 0 HB2 LYS A 62 12.191 1.834 -27.419 1.00 0.00 H new ATOM 0 HB3 LYS A 62 13.597 1.457 -28.395 1.00 0.00 H new ATOM 0 HG2 LYS A 62 12.992 -0.578 -27.362 1.00 0.00 H new ATOM 0 HG3 LYS A 62 14.413 -0.030 -26.495 1.00 0.00 H new ATOM 0 HD2 LYS A 62 11.615 0.516 -25.429 1.00 0.00 H new ATOM 0 HD3 LYS A 62 12.420 -1.011 -25.127 1.00 0.00 H new ATOM 0 HE2 LYS A 62 13.363 1.752 -24.266 1.00 0.00 H new ATOM 0 HE3 LYS A 62 12.778 0.467 -23.227 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 15.129 0.462 -23.130 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 14.685 -0.902 -24.040 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 15.285 0.482 -24.821 1.00 0.00 H new ATOM 1187 N ASN A 63 15.971 2.752 -25.269 1.00 0.00 N ATOM 1188 CA ASN A 63 17.378 2.539 -24.833 1.00 0.00 C ATOM 1189 C ASN A 63 18.349 3.348 -25.732 1.00 0.00 C ATOM 1190 O ASN A 63 19.479 2.933 -26.018 1.00 0.00 O ATOM 1191 CB ASN A 63 17.715 1.015 -24.802 1.00 0.00 C ATOM 1192 CG ASN A 63 18.988 0.649 -24.025 1.00 0.00 C ATOM 1193 OD1 ASN A 63 19.314 1.281 -23.020 1.00 0.00 O ATOM 1194 ND2 ASN A 63 19.729 -0.344 -24.497 1.00 0.00 N ATOM 0 H ASN A 63 15.387 3.163 -24.541 1.00 0.00 H new ATOM 0 HA ASN A 63 17.501 2.911 -23.816 1.00 0.00 H new ATOM 0 HB2 ASN A 63 16.873 0.481 -24.363 1.00 0.00 H new ATOM 0 HB3 ASN A 63 17.818 0.660 -25.827 1.00 0.00 H new ATOM 0 HD21 ASN A 63 20.595 -0.603 -24.025 1.00 0.00 H new ATOM 0 HD22 ASN A 63 19.433 -0.849 -25.332 1.00 0.00 H new ATOM 1201 N GLY A 64 17.872 4.536 -26.157 1.00 0.00 N ATOM 1202 CA GLY A 64 18.644 5.452 -27.000 1.00 0.00 C ATOM 1203 C GLY A 64 18.431 5.229 -28.498 1.00 0.00 C ATOM 1204 O GLY A 64 18.782 6.093 -29.306 1.00 0.00 O ATOM 0 H GLY A 64 16.941 4.881 -25.922 1.00 0.00 H new ATOM 0 HA2 GLY A 64 18.373 6.478 -26.751 1.00 0.00 H new ATOM 0 HA3 GLY A 64 19.704 5.338 -26.771 1.00 0.00 H new ATOM 1208 N ARG A 65 17.846 4.078 -28.876 1.00 0.00 N ATOM 1209 CA ARG A 65 17.596 3.733 -30.289 1.00 0.00 C ATOM 1210 C ARG A 65 16.174 4.149 -30.684 1.00 0.00 C ATOM 1211 O ARG A 65 15.199 3.561 -30.221 1.00 0.00 O ATOM 1212 CB ARG A 65 17.818 2.221 -30.537 1.00 0.00 C ATOM 1213 CG ARG A 65 17.646 1.788 -32.013 1.00 0.00 C ATOM 1214 CD ARG A 65 18.593 2.530 -32.979 1.00 0.00 C ATOM 1215 NE ARG A 65 20.011 2.379 -32.598 1.00 0.00 N ATOM 1216 CZ ARG A 65 21.013 3.185 -32.986 1.00 0.00 C ATOM 1217 NH1 ARG A 65 20.799 4.190 -33.829 1.00 0.00 N ATOM 1218 NH2 ARG A 65 22.231 2.972 -32.528 1.00 0.00 N ATOM 0 H ARG A 65 17.535 3.365 -28.217 1.00 0.00 H new ATOM 0 HA ARG A 65 18.306 4.277 -30.912 1.00 0.00 H new ATOM 0 HB2 ARG A 65 18.822 1.954 -30.206 1.00 0.00 H new ATOM 0 HB3 ARG A 65 17.118 1.657 -29.921 1.00 0.00 H new ATOM 0 HG2 ARG A 65 17.823 0.716 -32.093 1.00 0.00 H new ATOM 0 HG3 ARG A 65 16.615 1.964 -32.319 1.00 0.00 H new ATOM 0 HD2 ARG A 65 18.448 2.150 -33.990 1.00 0.00 H new ATOM 0 HD3 ARG A 65 18.334 3.589 -32.996 1.00 0.00 H new ATOM 0 HE ARG A 65 20.250 1.597 -31.989 1.00 0.00 H new ATOM 0 HH11 ARG A 65 19.861 4.360 -34.193 1.00 0.00 H new ATOM 0 HH12 ARG A 65 21.572 4.792 -34.112 1.00 0.00 H new ATOM 0 HH21 ARG A 65 22.406 2.200 -31.885 1.00 0.00 H new ATOM 0 HH22 ARG A 65 22.998 3.579 -32.817 1.00 0.00 H new ATOM 1232 N GLU A 66 16.084 5.158 -31.558 1.00 0.00 N ATOM 1233 CA GLU A 66 14.818 5.792 -31.948 1.00 0.00 C ATOM 1234 C GLU A 66 13.939 4.813 -32.766 1.00 0.00 C ATOM 1235 O GLU A 66 14.236 4.505 -33.920 1.00 0.00 O ATOM 1236 CB GLU A 66 15.118 7.112 -32.719 1.00 0.00 C ATOM 1237 CG GLU A 66 14.002 8.176 -32.678 1.00 0.00 C ATOM 1238 CD GLU A 66 14.391 9.479 -33.400 1.00 0.00 C ATOM 1239 OE1 GLU A 66 14.304 9.543 -34.640 1.00 0.00 O ATOM 1240 OE2 GLU A 66 14.826 10.435 -32.727 1.00 0.00 O ATOM 0 H GLU A 66 16.898 5.563 -32.020 1.00 0.00 H new ATOM 0 HA GLU A 66 14.245 6.047 -31.057 1.00 0.00 H new ATOM 0 HB2 GLU A 66 16.029 7.551 -32.312 1.00 0.00 H new ATOM 0 HB3 GLU A 66 15.322 6.865 -33.761 1.00 0.00 H new ATOM 0 HG2 GLU A 66 13.101 7.768 -33.136 1.00 0.00 H new ATOM 0 HG3 GLU A 66 13.759 8.400 -31.639 1.00 0.00 H new ATOM 1247 N VAL A 67 12.853 4.343 -32.125 1.00 0.00 N ATOM 1248 CA VAL A 67 11.914 3.319 -32.645 1.00 0.00 C ATOM 1249 C VAL A 67 11.118 3.754 -33.896 1.00 0.00 C ATOM 1250 O VAL A 67 10.306 2.978 -34.398 1.00 0.00 O ATOM 1251 CB VAL A 67 10.940 2.827 -31.519 1.00 0.00 C ATOM 1252 CG1 VAL A 67 11.711 2.126 -30.390 1.00 0.00 C ATOM 1253 CG2 VAL A 67 10.067 3.971 -30.956 1.00 0.00 C ATOM 0 H VAL A 67 12.591 4.675 -31.197 1.00 0.00 H new ATOM 0 HA VAL A 67 12.546 2.493 -32.970 1.00 0.00 H new ATOM 0 HB VAL A 67 10.266 2.105 -31.979 1.00 0.00 H new ATOM 0 HG11 VAL A 67 11.011 1.795 -29.623 1.00 0.00 H new ATOM 0 HG12 VAL A 67 12.242 1.264 -30.793 1.00 0.00 H new ATOM 0 HG13 VAL A 67 12.427 2.821 -29.952 1.00 0.00 H new ATOM 0 HG21 VAL A 67 9.410 3.579 -30.180 1.00 0.00 H new ATOM 0 HG22 VAL A 67 10.709 4.744 -30.532 1.00 0.00 H new ATOM 0 HG23 VAL A 67 9.466 4.398 -31.758 1.00 0.00 H new ATOM 1263 N VAL A 68 11.319 4.991 -34.377 1.00 0.00 N ATOM 1264 CA VAL A 68 10.768 5.431 -35.679 1.00 0.00 C ATOM 1265 C VAL A 68 11.516 4.739 -36.850 1.00 0.00 C ATOM 1266 O VAL A 68 10.992 4.633 -37.962 1.00 0.00 O ATOM 1267 CB VAL A 68 10.839 6.994 -35.842 1.00 0.00 C ATOM 1268 CG1 VAL A 68 10.186 7.706 -34.636 1.00 0.00 C ATOM 1269 CG2 VAL A 68 12.289 7.485 -36.060 1.00 0.00 C ATOM 0 H VAL A 68 11.857 5.707 -33.889 1.00 0.00 H new ATOM 0 HA VAL A 68 9.718 5.138 -35.704 1.00 0.00 H new ATOM 0 HB VAL A 68 10.273 7.253 -36.737 1.00 0.00 H new ATOM 0 HG11 VAL A 68 10.248 8.786 -34.773 1.00 0.00 H new ATOM 0 HG12 VAL A 68 9.140 7.410 -34.561 1.00 0.00 H new ATOM 0 HG13 VAL A 68 10.709 7.426 -33.721 1.00 0.00 H new ATOM 0 HG21 VAL A 68 12.294 8.570 -36.168 1.00 0.00 H new ATOM 0 HG22 VAL A 68 12.901 7.203 -35.203 1.00 0.00 H new ATOM 0 HG23 VAL A 68 12.696 7.029 -36.963 1.00 0.00 H new ATOM 1279 N HIS A 69 12.762 4.294 -36.576 1.00 0.00 N ATOM 1280 CA HIS A 69 13.623 3.598 -37.562 1.00 0.00 C ATOM 1281 C HIS A 69 13.373 2.072 -37.530 1.00 0.00 C ATOM 1282 O HIS A 69 13.775 1.345 -38.450 1.00 0.00 O ATOM 1283 CB HIS A 69 15.119 3.906 -37.275 1.00 0.00 C ATOM 1284 CG HIS A 69 15.437 5.377 -37.132 1.00 0.00 C ATOM 1285 ND1 HIS A 69 15.853 6.092 -36.063 1.00 0.00 N flip ATOM 1286 CD2 HIS A 69 15.290 6.286 -38.153 1.00 0.00 C flip ATOM 1287 CE1 HIS A 69 15.943 7.402 -36.452 1.00 0.00 C flip ATOM 1288 NE2 HIS A 69 15.600 7.491 -37.720 1.00 0.00 N flip ATOM 0 H HIS A 69 13.202 4.407 -35.663 1.00 0.00 H new ATOM 0 HA HIS A 69 13.371 3.963 -38.558 1.00 0.00 H new ATOM 0 HB2 HIS A 69 15.414 3.392 -36.360 1.00 0.00 H new ATOM 0 HB3 HIS A 69 15.724 3.493 -38.082 1.00 0.00 H new ATOM 0 HD2 HIS A 69 14.969 6.048 -39.157 1.00 0.00 H new ATOM 0 HE1 HIS A 69 16.245 8.226 -35.823 1.00 0.00 H new ATOM 0 HE2 HIS A 69 15.578 8.348 -38.273 1.00 0.00 H new ATOM 1297 N LEU A 70 12.719 1.607 -36.446 1.00 0.00 N ATOM 1298 CA LEU A 70 12.338 0.195 -36.235 1.00 0.00 C ATOM 1299 C LEU A 70 10.878 0.144 -35.715 1.00 0.00 C ATOM 1300 O LEU A 70 10.041 0.907 -36.216 1.00 0.00 O ATOM 1301 CB LEU A 70 13.368 -0.551 -35.312 1.00 0.00 C ATOM 1302 CG LEU A 70 13.710 0.077 -33.913 1.00 0.00 C ATOM 1303 CD1 LEU A 70 14.350 -0.970 -32.972 1.00 0.00 C ATOM 1304 CD2 LEU A 70 14.650 1.294 -34.053 1.00 0.00 C ATOM 0 H LEU A 70 12.435 2.215 -35.677 1.00 0.00 H new ATOM 0 HA LEU A 70 12.372 -0.348 -37.180 1.00 0.00 H new ATOM 0 HB2 LEU A 70 12.990 -1.559 -35.140 1.00 0.00 H new ATOM 0 HB3 LEU A 70 14.300 -0.651 -35.868 1.00 0.00 H new ATOM 0 HG LEU A 70 12.769 0.414 -33.478 1.00 0.00 H new ATOM 0 HD11 LEU A 70 14.576 -0.506 -32.012 1.00 0.00 H new ATOM 0 HD12 LEU A 70 13.656 -1.797 -32.822 1.00 0.00 H new ATOM 0 HD13 LEU A 70 15.270 -1.346 -33.419 1.00 0.00 H new ATOM 0 HD21 LEU A 70 14.865 1.703 -33.066 1.00 0.00 H new ATOM 0 HD22 LEU A 70 15.581 0.982 -34.527 1.00 0.00 H new ATOM 0 HD23 LEU A 70 14.169 2.057 -34.665 1.00 0.00 H new ATOM 1316 N ASP A 71 10.538 -0.747 -34.757 1.00 0.00 N ATOM 1317 CA ASP A 71 9.140 -0.899 -34.290 1.00 0.00 C ATOM 1318 C ASP A 71 8.824 0.109 -33.185 1.00 0.00 C ATOM 1319 O ASP A 71 9.439 0.062 -32.115 1.00 0.00 O ATOM 1320 CB ASP A 71 8.873 -2.329 -33.760 1.00 0.00 C ATOM 1321 CG ASP A 71 7.414 -2.802 -33.990 1.00 0.00 C ATOM 1322 OD1 ASP A 71 6.468 -2.063 -33.618 1.00 0.00 O ATOM 1323 OD2 ASP A 71 7.208 -3.901 -34.547 1.00 0.00 O ATOM 0 H ASP A 71 11.204 -1.366 -34.296 1.00 0.00 H new ATOM 0 HA ASP A 71 8.494 -0.714 -35.148 1.00 0.00 H new ATOM 0 HB2 ASP A 71 9.555 -3.024 -34.249 1.00 0.00 H new ATOM 0 HB3 ASP A 71 9.095 -2.362 -32.693 1.00 0.00 H new ATOM 1328 N GLY A 72 7.843 0.984 -33.440 1.00 0.00 N ATOM 1329 CA GLY A 72 7.401 1.956 -32.451 1.00 0.00 C ATOM 1330 C GLY A 72 6.587 1.326 -31.325 1.00 0.00 C ATOM 1331 O GLY A 72 6.765 1.662 -30.152 1.00 0.00 O ATOM 0 H GLY A 72 7.343 1.033 -34.328 1.00 0.00 H new ATOM 0 HA2 GLY A 72 8.271 2.458 -32.027 1.00 0.00 H new ATOM 0 HA3 GLY A 72 6.800 2.721 -32.943 1.00 0.00 H new ATOM 1335 N MET A 73 5.679 0.420 -31.707 1.00 0.00 N ATOM 1336 CA MET A 73 4.721 -0.211 -30.779 1.00 0.00 C ATOM 1337 C MET A 73 5.332 -1.390 -29.986 1.00 0.00 C ATOM 1338 O MET A 73 5.088 -1.510 -28.788 1.00 0.00 O ATOM 1339 CB MET A 73 3.452 -0.650 -31.569 1.00 0.00 C ATOM 1340 CG MET A 73 2.537 0.524 -31.972 1.00 0.00 C ATOM 1341 SD MET A 73 1.515 1.075 -30.584 1.00 0.00 S ATOM 1342 CE MET A 73 1.370 2.835 -30.846 1.00 0.00 C ATOM 0 H MET A 73 5.584 0.100 -32.671 1.00 0.00 H new ATOM 0 HA MET A 73 4.445 0.530 -30.029 1.00 0.00 H new ATOM 0 HB2 MET A 73 3.761 -1.184 -32.468 1.00 0.00 H new ATOM 0 HB3 MET A 73 2.881 -1.352 -30.961 1.00 0.00 H new ATOM 0 HG2 MET A 73 3.145 1.355 -32.329 1.00 0.00 H new ATOM 0 HG3 MET A 73 1.896 0.220 -32.799 1.00 0.00 H new ATOM 0 HE1 MET A 73 0.794 3.278 -30.034 1.00 0.00 H new ATOM 0 HE2 MET A 73 2.364 3.282 -30.871 1.00 0.00 H new ATOM 0 HE3 MET A 73 0.864 3.021 -31.793 1.00 0.00 H new ATOM 1352 N ALA A 74 6.162 -2.229 -30.630 1.00 0.00 N ATOM 1353 CA ALA A 74 6.661 -3.482 -30.005 1.00 0.00 C ATOM 1354 C ALA A 74 8.060 -3.862 -30.525 1.00 0.00 C ATOM 1355 O ALA A 74 8.228 -4.834 -31.274 1.00 0.00 O ATOM 1356 CB ALA A 74 5.642 -4.624 -30.219 1.00 0.00 C ATOM 0 H ALA A 74 6.504 -2.070 -31.578 1.00 0.00 H new ATOM 0 HA ALA A 74 6.765 -3.311 -28.933 1.00 0.00 H new ATOM 0 HB1 ALA A 74 6.017 -5.537 -29.757 1.00 0.00 H new ATOM 0 HB2 ALA A 74 4.690 -4.352 -29.764 1.00 0.00 H new ATOM 0 HB3 ALA A 74 5.500 -4.789 -31.287 1.00 0.00 H new ATOM 1362 N THR A 75 9.059 -3.056 -30.141 1.00 0.00 N ATOM 1363 CA THR A 75 10.471 -3.291 -30.496 1.00 0.00 C ATOM 1364 C THR A 75 11.091 -4.455 -29.675 1.00 0.00 C ATOM 1365 O THR A 75 11.355 -5.531 -30.230 1.00 0.00 O ATOM 1366 CB THR A 75 11.328 -1.971 -30.368 1.00 0.00 C ATOM 1367 OG1 THR A 75 12.735 -2.262 -30.421 1.00 0.00 O ATOM 1368 CG2 THR A 75 11.022 -1.183 -29.086 1.00 0.00 C ATOM 0 H THR A 75 8.914 -2.220 -29.574 1.00 0.00 H new ATOM 0 HA THR A 75 10.490 -3.594 -31.543 1.00 0.00 H new ATOM 0 HB THR A 75 11.048 -1.349 -31.218 1.00 0.00 H new ATOM 0 HG1 THR A 75 13.245 -1.429 -30.341 1.00 0.00 H new ATOM 0 HG21 THR A 75 11.641 -0.286 -29.054 1.00 0.00 H new ATOM 0 HG22 THR A 75 9.970 -0.898 -29.076 1.00 0.00 H new ATOM 0 HG23 THR A 75 11.238 -1.804 -28.217 1.00 0.00 H new ATOM 1376 N ALA A 76 11.260 -4.255 -28.349 1.00 0.00 N ATOM 1377 CA ALA A 76 12.103 -5.130 -27.499 1.00 0.00 C ATOM 1378 C ALA A 76 11.998 -4.721 -26.013 1.00 0.00 C ATOM 1379 O ALA A 76 12.960 -4.874 -25.253 1.00 0.00 O ATOM 1380 CB ALA A 76 13.575 -5.074 -27.980 1.00 0.00 C ATOM 0 H ALA A 76 10.820 -3.489 -27.839 1.00 0.00 H new ATOM 0 HA ALA A 76 11.743 -6.155 -27.589 1.00 0.00 H new ATOM 0 HB1 ALA A 76 14.188 -5.719 -27.351 1.00 0.00 H new ATOM 0 HB2 ALA A 76 13.633 -5.414 -29.014 1.00 0.00 H new ATOM 0 HB3 ALA A 76 13.941 -4.049 -27.914 1.00 0.00 H new ATOM 1386 N LEU A 77 10.807 -4.245 -25.596 1.00 0.00 N ATOM 1387 CA LEU A 77 10.621 -3.653 -24.251 1.00 0.00 C ATOM 1388 C LEU A 77 10.585 -4.753 -23.166 1.00 0.00 C ATOM 1389 O LEU A 77 10.000 -5.813 -23.374 1.00 0.00 O ATOM 1390 CB LEU A 77 9.316 -2.808 -24.201 1.00 0.00 C ATOM 1391 CG LEU A 77 9.121 -1.940 -22.917 1.00 0.00 C ATOM 1392 CD1 LEU A 77 10.273 -0.943 -22.746 1.00 0.00 C ATOM 1393 CD2 LEU A 77 7.774 -1.200 -22.934 1.00 0.00 C ATOM 0 H LEU A 77 9.962 -4.258 -26.167 1.00 0.00 H new ATOM 0 HA LEU A 77 11.469 -2.999 -24.051 1.00 0.00 H new ATOM 0 HB2 LEU A 77 9.298 -2.149 -25.069 1.00 0.00 H new ATOM 0 HB3 LEU A 77 8.465 -3.482 -24.295 1.00 0.00 H new ATOM 0 HG LEU A 77 9.121 -2.620 -22.065 1.00 0.00 H new ATOM 0 HD11 LEU A 77 10.112 -0.352 -21.845 1.00 0.00 H new ATOM 0 HD12 LEU A 77 11.214 -1.486 -22.660 1.00 0.00 H new ATOM 0 HD13 LEU A 77 10.313 -0.281 -23.611 1.00 0.00 H new ATOM 0 HD21 LEU A 77 7.673 -0.607 -22.025 1.00 0.00 H new ATOM 0 HD22 LEU A 77 7.731 -0.543 -23.803 1.00 0.00 H new ATOM 0 HD23 LEU A 77 6.961 -1.925 -22.986 1.00 0.00 H new ATOM 1405 N ASP A 78 11.235 -4.484 -22.022 1.00 0.00 N ATOM 1406 CA ASP A 78 11.361 -5.446 -20.901 1.00 0.00 C ATOM 1407 C ASP A 78 11.305 -4.666 -19.564 1.00 0.00 C ATOM 1408 O ASP A 78 11.050 -3.463 -19.573 1.00 0.00 O ATOM 1409 CB ASP A 78 12.688 -6.245 -21.075 1.00 0.00 C ATOM 1410 CG ASP A 78 12.853 -7.441 -20.119 1.00 0.00 C ATOM 1411 OD1 ASP A 78 12.053 -8.399 -20.201 1.00 0.00 O ATOM 1412 OD2 ASP A 78 13.770 -7.424 -19.266 1.00 0.00 O ATOM 0 H ASP A 78 11.692 -3.590 -21.842 1.00 0.00 H new ATOM 0 HA ASP A 78 10.541 -6.164 -20.896 1.00 0.00 H new ATOM 0 HB2 ASP A 78 12.745 -6.608 -22.101 1.00 0.00 H new ATOM 0 HB3 ASP A 78 13.527 -5.564 -20.931 1.00 0.00 H new ATOM 1417 N ASP A 79 11.483 -5.346 -18.419 1.00 0.00 N ATOM 1418 CA ASP A 79 11.519 -4.686 -17.092 1.00 0.00 C ATOM 1419 C ASP A 79 12.794 -3.845 -16.905 1.00 0.00 C ATOM 1420 O ASP A 79 13.862 -4.192 -17.418 1.00 0.00 O ATOM 1421 CB ASP A 79 11.394 -5.744 -15.961 1.00 0.00 C ATOM 1422 CG ASP A 79 11.503 -5.150 -14.538 1.00 0.00 C ATOM 1423 OD1 ASP A 79 10.597 -4.398 -14.132 1.00 0.00 O ATOM 1424 OD2 ASP A 79 12.507 -5.404 -13.835 1.00 0.00 O ATOM 0 H ASP A 79 11.605 -6.358 -18.380 1.00 0.00 H new ATOM 0 HA ASP A 79 10.669 -4.006 -17.038 1.00 0.00 H new ATOM 0 HB2 ASP A 79 10.437 -6.256 -16.059 1.00 0.00 H new ATOM 0 HB3 ASP A 79 12.172 -6.496 -16.092 1.00 0.00 H new ATOM 1429 N GLY A 80 12.653 -2.743 -16.139 1.00 0.00 N ATOM 1430 CA GLY A 80 13.743 -1.801 -15.864 1.00 0.00 C ATOM 1431 C GLY A 80 14.223 -1.059 -17.101 1.00 0.00 C ATOM 1432 O GLY A 80 15.327 -0.501 -17.108 1.00 0.00 O ATOM 0 H GLY A 80 11.772 -2.486 -15.694 1.00 0.00 H new ATOM 0 HA2 GLY A 80 13.409 -1.077 -15.121 1.00 0.00 H new ATOM 0 HA3 GLY A 80 14.581 -2.343 -15.426 1.00 0.00 H new ATOM 1436 N ASP A 81 13.388 -1.040 -18.155 1.00 0.00 N ATOM 1437 CA ASP A 81 13.804 -0.574 -19.486 1.00 0.00 C ATOM 1438 C ASP A 81 13.447 0.908 -19.676 1.00 0.00 C ATOM 1439 O ASP A 81 12.293 1.310 -19.463 1.00 0.00 O ATOM 1440 CB ASP A 81 13.141 -1.456 -20.594 1.00 0.00 C ATOM 1441 CG ASP A 81 14.046 -1.801 -21.779 1.00 0.00 C ATOM 1442 OD1 ASP A 81 15.241 -1.433 -21.780 1.00 0.00 O ATOM 1443 OD2 ASP A 81 13.559 -2.438 -22.741 1.00 0.00 O ATOM 0 H ASP A 81 12.416 -1.344 -18.108 1.00 0.00 H new ATOM 0 HA ASP A 81 14.886 -0.670 -19.570 1.00 0.00 H new ATOM 0 HB2 ASP A 81 12.795 -2.384 -20.139 1.00 0.00 H new ATOM 0 HB3 ASP A 81 12.259 -0.937 -20.970 1.00 0.00 H new ATOM 1448 N ALA A 82 14.451 1.708 -20.074 1.00 0.00 N ATOM 1449 CA ALA A 82 14.297 3.159 -20.263 1.00 0.00 C ATOM 1450 C ALA A 82 13.755 3.489 -21.664 1.00 0.00 C ATOM 1451 O ALA A 82 14.414 3.195 -22.669 1.00 0.00 O ATOM 1452 CB ALA A 82 15.634 3.876 -20.026 1.00 0.00 C ATOM 0 H ALA A 82 15.391 1.366 -20.273 1.00 0.00 H new ATOM 0 HA ALA A 82 13.571 3.514 -19.531 1.00 0.00 H new ATOM 0 HB1 ALA A 82 15.502 4.948 -20.170 1.00 0.00 H new ATOM 0 HB2 ALA A 82 15.974 3.685 -19.008 1.00 0.00 H new ATOM 0 HB3 ALA A 82 16.377 3.504 -20.732 1.00 0.00 H new ATOM 1458 N VAL A 83 12.543 4.072 -21.723 1.00 0.00 N ATOM 1459 CA VAL A 83 11.944 4.571 -22.972 1.00 0.00 C ATOM 1460 C VAL A 83 11.991 6.111 -22.965 1.00 0.00 C ATOM 1461 O VAL A 83 11.243 6.751 -22.222 1.00 0.00 O ATOM 1462 CB VAL A 83 10.445 4.101 -23.141 1.00 0.00 C ATOM 1463 CG1 VAL A 83 9.887 4.475 -24.535 1.00 0.00 C ATOM 1464 CG2 VAL A 83 10.287 2.593 -22.859 1.00 0.00 C ATOM 0 H VAL A 83 11.952 4.210 -20.903 1.00 0.00 H new ATOM 0 HA VAL A 83 12.516 4.165 -23.806 1.00 0.00 H new ATOM 0 HB VAL A 83 9.854 4.635 -22.397 1.00 0.00 H new ATOM 0 HG11 VAL A 83 8.854 4.137 -24.616 1.00 0.00 H new ATOM 0 HG12 VAL A 83 9.926 5.557 -24.664 1.00 0.00 H new ATOM 0 HG13 VAL A 83 10.488 3.996 -25.308 1.00 0.00 H new ATOM 0 HG21 VAL A 83 9.243 2.307 -22.985 1.00 0.00 H new ATOM 0 HG22 VAL A 83 10.905 2.026 -23.555 1.00 0.00 H new ATOM 0 HG23 VAL A 83 10.601 2.379 -21.837 1.00 0.00 H new ATOM 1474 N SER A 84 12.882 6.690 -23.780 1.00 0.00 N ATOM 1475 CA SER A 84 12.971 8.148 -23.973 1.00 0.00 C ATOM 1476 C SER A 84 11.948 8.584 -25.034 1.00 0.00 C ATOM 1477 O SER A 84 11.643 7.816 -25.935 1.00 0.00 O ATOM 1478 CB SER A 84 14.401 8.536 -24.410 1.00 0.00 C ATOM 1479 OG SER A 84 15.347 8.234 -23.397 1.00 0.00 O ATOM 0 H SER A 84 13.563 6.163 -24.326 1.00 0.00 H new ATOM 0 HA SER A 84 12.748 8.655 -23.034 1.00 0.00 H new ATOM 0 HB2 SER A 84 14.661 8.004 -25.325 1.00 0.00 H new ATOM 0 HB3 SER A 84 14.438 9.601 -24.640 1.00 0.00 H new ATOM 0 HG SER A 84 16.244 8.488 -23.700 1.00 0.00 H new ATOM 1485 N VAL A 85 11.395 9.803 -24.917 1.00 0.00 N ATOM 1486 CA VAL A 85 10.457 10.358 -25.915 1.00 0.00 C ATOM 1487 C VAL A 85 10.713 11.864 -26.089 1.00 0.00 C ATOM 1488 O VAL A 85 11.105 12.571 -25.149 1.00 0.00 O ATOM 1489 CB VAL A 85 8.921 10.123 -25.570 1.00 0.00 C ATOM 1490 CG1 VAL A 85 8.568 8.624 -25.350 1.00 0.00 C ATOM 1491 CG2 VAL A 85 8.473 10.978 -24.372 1.00 0.00 C ATOM 0 H VAL A 85 11.582 10.430 -24.134 1.00 0.00 H new ATOM 0 HA VAL A 85 10.652 9.816 -26.840 1.00 0.00 H new ATOM 0 HB VAL A 85 8.363 10.448 -26.448 1.00 0.00 H new ATOM 0 HG11 VAL A 85 7.507 8.530 -25.118 1.00 0.00 H new ATOM 0 HG12 VAL A 85 8.793 8.061 -26.256 1.00 0.00 H new ATOM 0 HG13 VAL A 85 9.156 8.229 -24.522 1.00 0.00 H new ATOM 0 HG21 VAL A 85 7.419 10.791 -24.166 1.00 0.00 H new ATOM 0 HG22 VAL A 85 9.066 10.716 -23.496 1.00 0.00 H new ATOM 0 HG23 VAL A 85 8.616 12.033 -24.605 1.00 0.00 H new ATOM 1501 N PHE A 86 10.494 12.326 -27.310 1.00 0.00 N ATOM 1502 CA PHE A 86 10.574 13.734 -27.708 1.00 0.00 C ATOM 1503 C PHE A 86 9.306 14.003 -28.555 1.00 0.00 C ATOM 1504 O PHE A 86 8.882 13.112 -29.304 1.00 0.00 O ATOM 1505 CB PHE A 86 11.835 14.032 -28.591 1.00 0.00 C ATOM 1506 CG PHE A 86 13.199 13.682 -27.986 1.00 0.00 C ATOM 1507 CD1 PHE A 86 13.595 12.354 -27.846 1.00 0.00 C ATOM 1508 CD2 PHE A 86 14.100 14.673 -27.588 1.00 0.00 C ATOM 1509 CE1 PHE A 86 14.829 12.028 -27.316 1.00 0.00 C ATOM 1510 CE2 PHE A 86 15.341 14.335 -27.065 1.00 0.00 C ATOM 1511 CZ PHE A 86 15.699 13.009 -26.932 1.00 0.00 C ATOM 0 H PHE A 86 10.246 11.712 -28.085 1.00 0.00 H new ATOM 0 HA PHE A 86 10.647 14.365 -26.822 1.00 0.00 H new ATOM 0 HB2 PHE A 86 11.729 13.487 -29.529 1.00 0.00 H new ATOM 0 HB3 PHE A 86 11.835 15.094 -28.837 1.00 0.00 H new ATOM 0 HD1 PHE A 86 12.926 11.565 -28.157 1.00 0.00 H new ATOM 0 HD2 PHE A 86 13.828 15.713 -27.688 1.00 0.00 H new ATOM 0 HE1 PHE A 86 15.108 10.991 -27.205 1.00 0.00 H new ATOM 0 HE2 PHE A 86 16.028 15.112 -26.762 1.00 0.00 H new ATOM 0 HZ PHE A 86 16.665 12.747 -26.525 1.00 0.00 H new ATOM 1521 N PRO A 87 8.671 15.203 -28.450 1.00 0.00 N ATOM 1522 CA PRO A 87 7.563 15.620 -29.350 1.00 0.00 C ATOM 1523 C PRO A 87 8.049 15.774 -30.806 1.00 0.00 C ATOM 1524 O PRO A 87 9.264 15.739 -31.054 1.00 0.00 O ATOM 1525 CB PRO A 87 7.103 16.981 -28.742 1.00 0.00 C ATOM 1526 CG PRO A 87 8.293 17.467 -28.001 1.00 0.00 C ATOM 1527 CD PRO A 87 8.956 16.235 -27.445 1.00 0.00 C ATOM 0 HA PRO A 87 6.755 14.890 -29.404 1.00 0.00 H new ATOM 0 HB2 PRO A 87 6.803 17.684 -29.519 1.00 0.00 H new ATOM 0 HB3 PRO A 87 6.246 16.853 -28.080 1.00 0.00 H new ATOM 0 HG2 PRO A 87 8.969 18.012 -28.660 1.00 0.00 H new ATOM 0 HG3 PRO A 87 8.005 18.151 -27.203 1.00 0.00 H new ATOM 0 HD2 PRO A 87 10.028 16.382 -27.314 1.00 0.00 H new ATOM 0 HD3 PRO A 87 8.550 15.967 -26.470 1.00 0.00 H new ATOM 1535 N PRO A 88 7.122 15.919 -31.806 1.00 0.00 N ATOM 1536 CA PRO A 88 7.546 16.057 -33.206 1.00 0.00 C ATOM 1537 C PRO A 88 8.360 17.351 -33.419 1.00 0.00 C ATOM 1538 O PRO A 88 7.936 18.448 -33.037 1.00 0.00 O ATOM 1539 CB PRO A 88 6.194 16.061 -33.975 1.00 0.00 C ATOM 1540 CG PRO A 88 5.186 16.542 -32.978 1.00 0.00 C ATOM 1541 CD PRO A 88 5.638 15.959 -31.660 1.00 0.00 C ATOM 0 HA PRO A 88 8.214 15.265 -33.546 1.00 0.00 H new ATOM 0 HB2 PRO A 88 6.235 16.718 -34.844 1.00 0.00 H new ATOM 0 HB3 PRO A 88 5.944 15.065 -34.340 1.00 0.00 H new ATOM 0 HG2 PRO A 88 5.156 17.631 -32.939 1.00 0.00 H new ATOM 0 HG3 PRO A 88 4.182 16.205 -33.236 1.00 0.00 H new ATOM 0 HD2 PRO A 88 5.331 16.579 -30.817 1.00 0.00 H new ATOM 0 HD3 PRO A 88 5.221 14.966 -31.493 1.00 0.00 H new