USER MOD reduce.3.24.130724 H: found=0, std=0, add=579, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 581 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 77 THR OG1 : rot -68:sc= 1.16 USER MOD Set 1.2: A 83 THR OG1 : rot 16:sc= 0.875 USER MOD Single : A 24 SER OG : rot 69:sc= 0.589 USER MOD Single : A 28 SER OG : rot 70:sc= 1.1 USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 44 GLN : amide:sc= -0.0512 K(o=-0.051,f=-0.62) USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 GLN : amide:sc= 0.0256 K(o=0.026,f=-3!) USER MOD Single : A 65 THR OG1 : rot 180:sc= 0 USER MOD Single : A 66 LYS NZ :NH3+ -175:sc= 1.06 (180deg=1.03) USER MOD Single : A 68 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 GLN : amide:sc= 1.16 K(o=1.2,f=-0.087) USER MOD ----------------------------------------------------------------- ATOM 170 N GLU A 13 23.639 7.292 -7.187 1.00 0.00 N ATOM 171 CA GLU A 13 24.871 7.312 -6.386 1.00 0.00 C ATOM 172 C GLU A 13 25.811 8.462 -6.813 1.00 0.00 C ATOM 173 O GLU A 13 26.189 9.283 -5.986 1.00 0.00 O ATOM 174 CB GLU A 13 25.522 5.918 -6.454 1.00 0.00 C ATOM 175 CG GLU A 13 26.732 5.741 -5.530 1.00 0.00 C ATOM 176 CD GLU A 13 26.310 5.593 -4.055 1.00 0.00 C ATOM 177 OE1 GLU A 13 26.196 6.617 -3.341 1.00 0.00 O ATOM 178 OE2 GLU A 13 26.090 4.445 -3.597 1.00 0.00 O ATOM 0 HA GLU A 13 24.639 7.523 -5.342 1.00 0.00 H new ATOM 0 HB2 GLU A 13 24.773 5.168 -6.201 1.00 0.00 H new ATOM 0 HB3 GLU A 13 25.832 5.725 -7.481 1.00 0.00 H new ATOM 0 HG2 GLU A 13 27.297 4.861 -5.836 1.00 0.00 H new ATOM 0 HG3 GLU A 13 27.397 6.599 -5.633 1.00 0.00 H new ATOM 185 N ARG A 14 26.156 8.573 -8.105 1.00 0.00 N ATOM 186 CA ARG A 14 27.175 9.537 -8.587 1.00 0.00 C ATOM 187 C ARG A 14 26.807 11.000 -8.333 1.00 0.00 C ATOM 188 O ARG A 14 27.694 11.785 -8.012 1.00 0.00 O ATOM 189 CB ARG A 14 27.585 9.290 -10.053 1.00 0.00 C ATOM 190 CG ARG A 14 26.467 9.424 -11.105 1.00 0.00 C ATOM 191 CD ARG A 14 26.890 10.252 -12.323 1.00 0.00 C ATOM 192 NE ARG A 14 26.550 11.674 -12.133 1.00 0.00 N ATOM 193 CZ ARG A 14 25.478 12.303 -12.586 1.00 0.00 C ATOM 194 NH1 ARG A 14 24.533 11.712 -13.251 1.00 0.00 N ATOM 195 NH2 ARG A 14 25.306 13.561 -12.359 1.00 0.00 N ATOM 0 H ARG A 14 25.744 8.005 -8.845 1.00 0.00 H new ATOM 0 HA ARG A 14 28.056 9.342 -7.975 1.00 0.00 H new ATOM 0 HB2 ARG A 14 28.381 9.989 -10.308 1.00 0.00 H new ATOM 0 HB3 ARG A 14 28.006 8.287 -10.127 1.00 0.00 H new ATOM 0 HG2 ARG A 14 26.165 8.430 -11.435 1.00 0.00 H new ATOM 0 HG3 ARG A 14 25.594 9.886 -10.643 1.00 0.00 H new ATOM 0 HD2 ARG A 14 27.963 10.148 -12.484 1.00 0.00 H new ATOM 0 HD3 ARG A 14 26.395 9.871 -13.217 1.00 0.00 H new ATOM 0 HE ARG A 14 27.212 12.233 -11.595 1.00 0.00 H new ATOM 0 HH11 ARG A 14 24.596 10.713 -13.448 1.00 0.00 H new ATOM 0 HH12 ARG A 14 23.728 12.246 -13.577 1.00 0.00 H new ATOM 0 HH21 ARG A 14 26.001 14.082 -11.825 1.00 0.00 H new ATOM 0 HH22 ARG A 14 24.475 14.034 -12.714 1.00 0.00 H new ATOM 209 N VAL A 15 25.506 11.327 -8.351 1.00 0.00 N ATOM 210 CA VAL A 15 25.000 12.661 -7.956 1.00 0.00 C ATOM 211 C VAL A 15 25.328 13.026 -6.503 1.00 0.00 C ATOM 212 O VAL A 15 25.369 14.210 -6.176 1.00 0.00 O ATOM 213 CB VAL A 15 23.499 12.894 -8.228 1.00 0.00 C ATOM 214 CG1 VAL A 15 23.201 12.930 -9.726 1.00 0.00 C ATOM 215 CG2 VAL A 15 22.592 11.863 -7.564 1.00 0.00 C ATOM 0 H VAL A 15 24.772 10.679 -8.638 1.00 0.00 H new ATOM 0 HA VAL A 15 25.547 13.333 -8.618 1.00 0.00 H new ATOM 0 HB VAL A 15 23.278 13.864 -7.783 1.00 0.00 H new ATOM 0 HG11 VAL A 15 22.135 13.096 -9.881 1.00 0.00 H new ATOM 0 HG12 VAL A 15 23.765 13.739 -10.190 1.00 0.00 H new ATOM 0 HG13 VAL A 15 23.490 11.981 -10.177 1.00 0.00 H new ATOM 0 HG21 VAL A 15 21.552 12.089 -7.798 1.00 0.00 H new ATOM 0 HG22 VAL A 15 22.839 10.868 -7.935 1.00 0.00 H new ATOM 0 HG23 VAL A 15 22.736 11.894 -6.484 1.00 0.00 H new ATOM 225 N ASP A 16 25.621 12.052 -5.637 1.00 0.00 N ATOM 226 CA ASP A 16 26.069 12.335 -4.260 1.00 0.00 C ATOM 227 C ASP A 16 27.491 12.934 -4.214 1.00 0.00 C ATOM 228 O ASP A 16 27.720 13.934 -3.534 1.00 0.00 O ATOM 229 CB ASP A 16 25.972 11.065 -3.403 1.00 0.00 C ATOM 230 CG ASP A 16 26.252 11.356 -1.922 1.00 0.00 C ATOM 231 OD1 ASP A 16 25.307 11.771 -1.210 1.00 0.00 O ATOM 232 OD2 ASP A 16 27.400 11.139 -1.463 1.00 0.00 O ATOM 0 H ASP A 16 25.558 11.059 -5.860 1.00 0.00 H new ATOM 0 HA ASP A 16 25.404 13.092 -3.846 1.00 0.00 H new ATOM 0 HB2 ASP A 16 24.977 10.631 -3.507 1.00 0.00 H new ATOM 0 HB3 ASP A 16 26.683 10.324 -3.769 1.00 0.00 H new ATOM 237 N LEU A 17 28.444 12.376 -4.969 1.00 0.00 N ATOM 238 CA LEU A 17 29.867 12.728 -4.866 1.00 0.00 C ATOM 239 C LEU A 17 30.135 14.135 -5.419 1.00 0.00 C ATOM 240 O LEU A 17 30.841 14.936 -4.812 1.00 0.00 O ATOM 241 CB LEU A 17 30.718 11.677 -5.614 1.00 0.00 C ATOM 242 CG LEU A 17 30.912 10.293 -4.957 1.00 0.00 C ATOM 243 CD1 LEU A 17 31.539 10.395 -3.566 1.00 0.00 C ATOM 244 CD2 LEU A 17 29.629 9.468 -4.853 1.00 0.00 C ATOM 0 H LEU A 17 28.250 11.664 -5.673 1.00 0.00 H new ATOM 0 HA LEU A 17 30.147 12.732 -3.813 1.00 0.00 H new ATOM 0 HB2 LEU A 17 30.267 11.520 -6.594 1.00 0.00 H new ATOM 0 HB3 LEU A 17 31.705 12.107 -5.782 1.00 0.00 H new ATOM 0 HG LEU A 17 31.592 9.774 -5.633 1.00 0.00 H new ATOM 0 HD11 LEU A 17 31.655 9.396 -3.145 1.00 0.00 H new ATOM 0 HD12 LEU A 17 32.516 10.873 -3.641 1.00 0.00 H new ATOM 0 HD13 LEU A 17 30.894 10.989 -2.919 1.00 0.00 H new ATOM 0 HD21 LEU A 17 29.849 8.511 -4.381 1.00 0.00 H new ATOM 0 HD22 LEU A 17 28.897 10.008 -4.253 1.00 0.00 H new ATOM 0 HD23 LEU A 17 29.225 9.296 -5.851 1.00 0.00 H new ATOM 256 N GLU A 18 29.494 14.458 -6.540 1.00 0.00 N ATOM 257 CA GLU A 18 29.471 15.812 -7.110 1.00 0.00 C ATOM 258 C GLU A 18 28.776 16.828 -6.189 1.00 0.00 C ATOM 259 O GLU A 18 29.228 17.967 -6.103 1.00 0.00 O ATOM 260 CB GLU A 18 28.858 15.796 -8.515 1.00 0.00 C ATOM 261 CG GLU A 18 27.502 15.094 -8.583 1.00 0.00 C ATOM 262 CD GLU A 18 27.250 14.664 -10.027 1.00 0.00 C ATOM 263 OE1 GLU A 18 27.735 13.612 -10.494 1.00 0.00 O ATOM 264 OE2 GLU A 18 26.645 15.427 -10.798 1.00 0.00 O ATOM 0 H GLU A 18 28.967 13.780 -7.090 1.00 0.00 H new ATOM 0 HA GLU A 18 30.505 16.147 -7.197 1.00 0.00 H new ATOM 0 HB2 GLU A 18 28.744 16.822 -8.864 1.00 0.00 H new ATOM 0 HB3 GLU A 18 29.549 15.301 -9.198 1.00 0.00 H new ATOM 0 HG2 GLU A 18 27.491 14.227 -7.922 1.00 0.00 H new ATOM 0 HG3 GLU A 18 26.712 15.763 -8.244 1.00 0.00 H new ATOM 271 N ALA A 19 27.755 16.439 -5.420 1.00 0.00 N ATOM 272 CA ALA A 19 27.168 17.317 -4.407 1.00 0.00 C ATOM 273 C ALA A 19 28.159 17.615 -3.262 1.00 0.00 C ATOM 274 O ALA A 19 28.233 18.752 -2.808 1.00 0.00 O ATOM 275 CB ALA A 19 25.849 16.705 -3.917 1.00 0.00 C ATOM 0 H ALA A 19 27.318 15.519 -5.481 1.00 0.00 H new ATOM 0 HA ALA A 19 26.947 18.287 -4.851 1.00 0.00 H new ATOM 0 HB1 ALA A 19 25.405 17.354 -3.162 1.00 0.00 H new ATOM 0 HB2 ALA A 19 25.161 16.603 -4.757 1.00 0.00 H new ATOM 0 HB3 ALA A 19 26.042 15.723 -3.484 1.00 0.00 H new ATOM 281 N VAL A 20 28.986 16.645 -2.846 1.00 0.00 N ATOM 282 CA VAL A 20 30.084 16.856 -1.870 1.00 0.00 C ATOM 283 C VAL A 20 31.214 17.709 -2.468 1.00 0.00 C ATOM 284 O VAL A 20 31.731 18.614 -1.807 1.00 0.00 O ATOM 285 CB VAL A 20 30.605 15.510 -1.316 1.00 0.00 C ATOM 286 CG1 VAL A 20 31.788 15.689 -0.355 1.00 0.00 C ATOM 287 CG2 VAL A 20 29.505 14.774 -0.539 1.00 0.00 C ATOM 0 H VAL A 20 28.918 15.682 -3.175 1.00 0.00 H new ATOM 0 HA VAL A 20 29.677 17.416 -1.028 1.00 0.00 H new ATOM 0 HB VAL A 20 30.923 14.938 -2.188 1.00 0.00 H new ATOM 0 HG11 VAL A 20 32.115 14.714 0.005 1.00 0.00 H new ATOM 0 HG12 VAL A 20 32.610 16.178 -0.877 1.00 0.00 H new ATOM 0 HG13 VAL A 20 31.480 16.303 0.491 1.00 0.00 H new ATOM 0 HG21 VAL A 20 29.897 13.830 -0.160 1.00 0.00 H new ATOM 0 HG22 VAL A 20 29.174 15.391 0.296 1.00 0.00 H new ATOM 0 HG23 VAL A 20 28.662 14.577 -1.201 1.00 0.00 H new ATOM 297 N ARG A 21 31.546 17.511 -3.751 1.00 0.00 N ATOM 298 CA ARG A 21 32.477 18.383 -4.486 1.00 0.00 C ATOM 299 C ARG A 21 31.984 19.831 -4.491 1.00 0.00 C ATOM 300 O ARG A 21 32.743 20.719 -4.138 1.00 0.00 O ATOM 301 CB ARG A 21 32.692 17.819 -5.903 1.00 0.00 C ATOM 302 CG ARG A 21 33.741 18.571 -6.739 1.00 0.00 C ATOM 303 CD ARG A 21 35.151 18.585 -6.130 1.00 0.00 C ATOM 304 NE ARG A 21 35.677 17.218 -5.925 1.00 0.00 N ATOM 305 CZ ARG A 21 36.348 16.472 -6.788 1.00 0.00 C ATOM 306 NH1 ARG A 21 36.627 16.880 -7.994 1.00 0.00 N ATOM 307 NH2 ARG A 21 36.753 15.282 -6.450 1.00 0.00 N ATOM 0 H ARG A 21 31.177 16.742 -4.310 1.00 0.00 H new ATOM 0 HA ARG A 21 33.444 18.397 -3.983 1.00 0.00 H new ATOM 0 HB2 ARG A 21 32.992 16.774 -5.822 1.00 0.00 H new ATOM 0 HB3 ARG A 21 31.741 17.837 -6.435 1.00 0.00 H new ATOM 0 HG2 ARG A 21 33.791 18.117 -7.729 1.00 0.00 H new ATOM 0 HG3 ARG A 21 33.408 19.600 -6.876 1.00 0.00 H new ATOM 0 HD2 ARG A 21 35.824 19.138 -6.785 1.00 0.00 H new ATOM 0 HD3 ARG A 21 35.129 19.112 -5.176 1.00 0.00 H new ATOM 0 HE ARG A 21 35.502 16.801 -5.011 1.00 0.00 H new ATOM 0 HH11 ARG A 21 36.326 17.805 -8.302 1.00 0.00 H new ATOM 0 HH12 ARG A 21 37.147 16.275 -8.630 1.00 0.00 H new ATOM 0 HH21 ARG A 21 36.553 14.921 -5.517 1.00 0.00 H new ATOM 0 HH22 ARG A 21 37.270 14.710 -7.118 1.00 0.00 H new ATOM 321 N LEU A 22 30.706 20.074 -4.773 1.00 0.00 N ATOM 322 CA LEU A 22 30.096 21.403 -4.714 1.00 0.00 C ATOM 323 C LEU A 22 29.957 21.919 -3.293 1.00 0.00 C ATOM 324 O LEU A 22 30.193 23.100 -3.113 1.00 0.00 O ATOM 325 CB LEU A 22 28.780 21.490 -5.485 1.00 0.00 C ATOM 326 CG LEU A 22 29.025 21.844 -6.962 1.00 0.00 C ATOM 327 CD1 LEU A 22 29.524 20.674 -7.801 1.00 0.00 C ATOM 328 CD2 LEU A 22 27.726 22.352 -7.552 1.00 0.00 C ATOM 0 H LEU A 22 30.053 19.342 -5.054 1.00 0.00 H new ATOM 0 HA LEU A 22 30.794 22.068 -5.223 1.00 0.00 H new ATOM 0 HB2 LEU A 22 28.253 20.538 -5.419 1.00 0.00 H new ATOM 0 HB3 LEU A 22 28.137 22.243 -5.029 1.00 0.00 H new ATOM 0 HG LEU A 22 29.811 22.599 -6.985 1.00 0.00 H new ATOM 0 HD11 LEU A 22 29.673 21.002 -8.830 1.00 0.00 H new ATOM 0 HD12 LEU A 22 30.468 20.312 -7.395 1.00 0.00 H new ATOM 0 HD13 LEU A 22 28.788 19.871 -7.779 1.00 0.00 H new ATOM 0 HD21 LEU A 22 27.878 22.609 -8.600 1.00 0.00 H new ATOM 0 HD22 LEU A 22 26.964 21.577 -7.476 1.00 0.00 H new ATOM 0 HD23 LEU A 22 27.400 23.237 -7.005 1.00 0.00 H new ATOM 340 N ALA A 23 29.692 21.101 -2.277 1.00 0.00 N ATOM 341 CA ALA A 23 29.788 21.570 -0.894 1.00 0.00 C ATOM 342 C ALA A 23 31.197 22.144 -0.635 1.00 0.00 C ATOM 343 O ALA A 23 31.333 23.212 -0.046 1.00 0.00 O ATOM 344 CB ALA A 23 29.429 20.420 0.047 1.00 0.00 C ATOM 0 H ALA A 23 29.413 20.125 -2.380 1.00 0.00 H new ATOM 0 HA ALA A 23 29.081 22.379 -0.708 1.00 0.00 H new ATOM 0 HB1 ALA A 23 29.498 20.760 1.080 1.00 0.00 H new ATOM 0 HB2 ALA A 23 28.412 20.086 -0.158 1.00 0.00 H new ATOM 0 HB3 ALA A 23 30.121 19.592 -0.109 1.00 0.00 H new ATOM 350 N SER A 24 32.231 21.513 -1.210 1.00 0.00 N ATOM 351 CA SER A 24 33.616 22.009 -1.188 1.00 0.00 C ATOM 352 C SER A 24 33.833 23.266 -2.057 1.00 0.00 C ATOM 353 O SER A 24 34.548 24.171 -1.617 1.00 0.00 O ATOM 354 CB SER A 24 34.610 20.898 -1.573 1.00 0.00 C ATOM 355 OG SER A 24 34.336 19.676 -0.896 1.00 0.00 O ATOM 0 H SER A 24 32.128 20.631 -1.711 1.00 0.00 H new ATOM 0 HA SER A 24 33.809 22.313 -0.159 1.00 0.00 H new ATOM 0 HB2 SER A 24 34.569 20.733 -2.650 1.00 0.00 H new ATOM 0 HB3 SER A 24 35.624 21.222 -1.339 1.00 0.00 H new ATOM 0 HG SER A 24 33.495 19.298 -1.230 1.00 0.00 H new ATOM 361 N ILE A 25 33.210 23.401 -3.247 1.00 0.00 N ATOM 362 CA ILE A 25 33.372 24.641 -4.032 1.00 0.00 C ATOM 363 C ILE A 25 32.617 25.804 -3.364 1.00 0.00 C ATOM 364 O ILE A 25 33.102 26.935 -3.339 1.00 0.00 O ATOM 365 CB ILE A 25 32.960 24.491 -5.508 1.00 0.00 C ATOM 366 CG1 ILE A 25 33.345 23.163 -6.193 1.00 0.00 C ATOM 367 CG2 ILE A 25 33.572 25.660 -6.300 1.00 0.00 C ATOM 368 CD1 ILE A 25 34.783 22.666 -6.032 1.00 0.00 C ATOM 0 H ILE A 25 32.611 22.694 -3.673 1.00 0.00 H new ATOM 0 HA ILE A 25 34.439 24.864 -4.041 1.00 0.00 H new ATOM 0 HB ILE A 25 31.870 24.495 -5.508 1.00 0.00 H new ATOM 0 HG12 ILE A 25 32.679 22.387 -5.817 1.00 0.00 H new ATOM 0 HG13 ILE A 25 33.144 23.266 -7.259 1.00 0.00 H new ATOM 0 HG21 ILE A 25 33.293 25.574 -7.350 1.00 0.00 H new ATOM 0 HG22 ILE A 25 33.200 26.604 -5.902 1.00 0.00 H new ATOM 0 HG23 ILE A 25 34.658 25.631 -6.210 1.00 0.00 H new ATOM 0 HD11 ILE A 25 34.904 21.724 -6.567 1.00 0.00 H new ATOM 0 HD12 ILE A 25 35.472 23.406 -6.440 1.00 0.00 H new ATOM 0 HD13 ILE A 25 34.999 22.513 -4.975 1.00 0.00 H new ATOM 380 N VAL A 26 31.470 25.517 -2.746 1.00 0.00 N ATOM 381 CA VAL A 26 30.692 26.448 -1.927 1.00 0.00 C ATOM 382 C VAL A 26 31.511 26.867 -0.712 1.00 0.00 C ATOM 383 O VAL A 26 31.695 28.060 -0.544 1.00 0.00 O ATOM 384 CB VAL A 26 29.340 25.835 -1.517 1.00 0.00 C ATOM 385 CG1 VAL A 26 28.580 26.729 -0.530 1.00 0.00 C ATOM 386 CG2 VAL A 26 28.431 25.611 -2.739 1.00 0.00 C ATOM 0 H VAL A 26 31.041 24.594 -2.805 1.00 0.00 H new ATOM 0 HA VAL A 26 30.468 27.337 -2.517 1.00 0.00 H new ATOM 0 HB VAL A 26 29.577 24.883 -1.043 1.00 0.00 H new ATOM 0 HG11 VAL A 26 27.633 26.258 -0.268 1.00 0.00 H new ATOM 0 HG12 VAL A 26 29.178 26.867 0.371 1.00 0.00 H new ATOM 0 HG13 VAL A 26 28.388 27.698 -0.990 1.00 0.00 H new ATOM 0 HG21 VAL A 26 27.485 25.177 -2.414 1.00 0.00 H new ATOM 0 HG22 VAL A 26 28.243 26.565 -3.232 1.00 0.00 H new ATOM 0 HG23 VAL A 26 28.921 24.932 -3.437 1.00 0.00 H new ATOM 396 N ASP A 27 32.102 25.962 0.072 1.00 0.00 N ATOM 397 CA ASP A 27 33.029 26.328 1.153 1.00 0.00 C ATOM 398 C ASP A 27 34.199 27.196 0.681 1.00 0.00 C ATOM 399 O ASP A 27 34.531 28.184 1.337 1.00 0.00 O ATOM 400 CB ASP A 27 33.570 25.079 1.854 1.00 0.00 C ATOM 401 CG ASP A 27 32.487 24.242 2.547 1.00 0.00 C ATOM 402 OD1 ASP A 27 31.453 24.812 2.975 1.00 0.00 O ATOM 403 OD2 ASP A 27 32.730 23.030 2.761 1.00 0.00 O ATOM 0 H ASP A 27 31.954 24.957 -0.022 1.00 0.00 H new ATOM 0 HA ASP A 27 32.446 26.924 1.854 1.00 0.00 H new ATOM 0 HB2 ASP A 27 34.085 24.457 1.122 1.00 0.00 H new ATOM 0 HB3 ASP A 27 34.312 25.381 2.593 1.00 0.00 H new ATOM 408 N SER A 28 34.771 26.896 -0.492 1.00 0.00 N ATOM 409 CA SER A 28 35.828 27.727 -1.094 1.00 0.00 C ATOM 410 C SER A 28 35.345 29.169 -1.345 1.00 0.00 C ATOM 411 O SER A 28 36.099 30.123 -1.148 1.00 0.00 O ATOM 412 CB SER A 28 36.342 27.094 -2.397 1.00 0.00 C ATOM 413 OG SER A 28 36.781 25.758 -2.190 1.00 0.00 O ATOM 0 H SER A 28 34.519 26.079 -1.048 1.00 0.00 H new ATOM 0 HA SER A 28 36.652 27.775 -0.382 1.00 0.00 H new ATOM 0 HB2 SER A 28 35.550 27.106 -3.146 1.00 0.00 H new ATOM 0 HB3 SER A 28 37.164 27.691 -2.793 1.00 0.00 H new ATOM 0 HG SER A 28 36.008 25.185 -2.002 1.00 0.00 H new ATOM 419 N ARG A 29 34.059 29.340 -1.683 1.00 0.00 N ATOM 420 CA ARG A 29 33.362 30.636 -1.803 1.00 0.00 C ATOM 421 C ARG A 29 32.926 31.236 -0.458 1.00 0.00 C ATOM 422 O ARG A 29 33.016 32.451 -0.292 1.00 0.00 O ATOM 423 CB ARG A 29 32.178 30.441 -2.764 1.00 0.00 C ATOM 424 CG ARG A 29 31.446 31.734 -3.124 1.00 0.00 C ATOM 425 CD ARG A 29 32.242 32.696 -4.008 1.00 0.00 C ATOM 426 NE ARG A 29 31.348 33.754 -4.523 1.00 0.00 N ATOM 427 CZ ARG A 29 31.560 34.540 -5.562 1.00 0.00 C ATOM 428 NH1 ARG A 29 32.698 34.553 -6.195 1.00 0.00 N ATOM 429 NH2 ARG A 29 30.626 35.336 -5.992 1.00 0.00 N ATOM 0 H ARG A 29 33.448 28.550 -1.889 1.00 0.00 H new ATOM 0 HA ARG A 29 34.060 31.372 -2.201 1.00 0.00 H new ATOM 0 HB2 ARG A 29 32.541 29.974 -3.680 1.00 0.00 H new ATOM 0 HB3 ARG A 29 31.468 29.748 -2.313 1.00 0.00 H new ATOM 0 HG2 ARG A 29 30.517 31.479 -3.633 1.00 0.00 H new ATOM 0 HG3 ARG A 29 31.174 32.250 -2.203 1.00 0.00 H new ATOM 0 HD2 ARG A 29 33.056 33.141 -3.436 1.00 0.00 H new ATOM 0 HD3 ARG A 29 32.694 32.153 -4.838 1.00 0.00 H new ATOM 0 HE ARG A 29 30.471 33.892 -4.021 1.00 0.00 H new ATOM 0 HH11 ARG A 29 33.458 33.944 -5.891 1.00 0.00 H new ATOM 0 HH12 ARG A 29 32.830 35.172 -6.995 1.00 0.00 H new ATOM 0 HH21 ARG A 29 29.719 35.357 -5.526 1.00 0.00 H new ATOM 0 HH22 ARG A 29 30.800 35.939 -6.796 1.00 0.00 H new ATOM 443 N LEU A 30 32.512 30.439 0.529 1.00 0.00 N ATOM 444 CA LEU A 30 32.176 30.934 1.875 1.00 0.00 C ATOM 445 C LEU A 30 33.419 31.490 2.602 1.00 0.00 C ATOM 446 O LEU A 30 33.326 32.493 3.309 1.00 0.00 O ATOM 447 CB LEU A 30 31.466 29.852 2.717 1.00 0.00 C ATOM 448 CG LEU A 30 30.129 29.313 2.168 1.00 0.00 C ATOM 449 CD1 LEU A 30 29.485 28.315 3.144 1.00 0.00 C ATOM 450 CD2 LEU A 30 29.115 30.423 1.870 1.00 0.00 C ATOM 0 H LEU A 30 32.399 29.431 0.422 1.00 0.00 H new ATOM 0 HA LEU A 30 31.476 31.760 1.750 1.00 0.00 H new ATOM 0 HB2 LEU A 30 32.149 29.011 2.836 1.00 0.00 H new ATOM 0 HB3 LEU A 30 31.286 30.259 3.712 1.00 0.00 H new ATOM 0 HG LEU A 30 30.380 28.814 1.232 1.00 0.00 H new ATOM 0 HD11 LEU A 30 28.545 27.954 2.727 1.00 0.00 H new ATOM 0 HD12 LEU A 30 30.159 27.473 3.301 1.00 0.00 H new ATOM 0 HD13 LEU A 30 29.294 28.809 4.096 1.00 0.00 H new ATOM 0 HD21 LEU A 30 28.195 29.982 1.487 1.00 0.00 H new ATOM 0 HD22 LEU A 30 28.899 30.974 2.785 1.00 0.00 H new ATOM 0 HD23 LEU A 30 29.529 31.103 1.126 1.00 0.00 H new ATOM 462 N ILE A 31 34.593 30.900 2.357 1.00 0.00 N ATOM 463 CA ILE A 31 35.903 31.421 2.786 1.00 0.00 C ATOM 464 C ILE A 31 36.326 32.619 1.906 1.00 0.00 C ATOM 465 O ILE A 31 36.887 33.595 2.407 1.00 0.00 O ATOM 466 CB ILE A 31 36.939 30.266 2.762 1.00 0.00 C ATOM 467 CG1 ILE A 31 36.562 29.179 3.802 1.00 0.00 C ATOM 468 CG2 ILE A 31 38.367 30.777 3.039 1.00 0.00 C ATOM 469 CD1 ILE A 31 37.314 27.855 3.619 1.00 0.00 C ATOM 0 H ILE A 31 34.665 30.023 1.841 1.00 0.00 H new ATOM 0 HA ILE A 31 35.842 31.797 3.807 1.00 0.00 H new ATOM 0 HB ILE A 31 36.921 29.833 1.762 1.00 0.00 H new ATOM 0 HG12 ILE A 31 36.761 29.563 4.802 1.00 0.00 H new ATOM 0 HG13 ILE A 31 35.491 28.988 3.741 1.00 0.00 H new ATOM 0 HG21 ILE A 31 39.064 29.940 3.014 1.00 0.00 H new ATOM 0 HG22 ILE A 31 38.647 31.505 2.278 1.00 0.00 H new ATOM 0 HG23 ILE A 31 38.401 31.248 4.021 1.00 0.00 H new ATOM 0 HD11 ILE A 31 36.995 27.147 4.384 1.00 0.00 H new ATOM 0 HD12 ILE A 31 37.096 27.446 2.632 1.00 0.00 H new ATOM 0 HD13 ILE A 31 38.386 28.030 3.710 1.00 0.00 H new ATOM 481 N GLY A 32 36.026 32.567 0.601 1.00 0.00 N ATOM 482 CA GLY A 32 36.461 33.530 -0.414 1.00 0.00 C ATOM 483 C GLY A 32 35.785 34.891 -0.313 1.00 0.00 C ATOM 484 O GLY A 32 36.423 35.929 -0.500 1.00 0.00 O ATOM 0 H GLY A 32 35.450 31.821 0.210 1.00 0.00 H new ATOM 0 HA2 GLY A 32 37.539 33.665 -0.332 1.00 0.00 H new ATOM 0 HA3 GLY A 32 36.267 33.113 -1.402 1.00 0.00 H new ATOM 488 N THR A 33 34.484 34.881 -0.009 1.00 0.00 N ATOM 489 CA THR A 33 33.674 36.098 0.187 1.00 0.00 C ATOM 490 C THR A 33 32.479 35.936 1.152 1.00 0.00 C ATOM 491 O THR A 33 32.103 36.908 1.810 1.00 0.00 O ATOM 492 CB THR A 33 33.215 36.621 -1.189 1.00 0.00 C ATOM 493 OG1 THR A 33 32.566 37.870 -1.096 1.00 0.00 O ATOM 494 CG2 THR A 33 32.258 35.658 -1.892 1.00 0.00 C ATOM 0 H THR A 33 33.952 34.019 0.111 1.00 0.00 H new ATOM 0 HA THR A 33 34.318 36.826 0.681 1.00 0.00 H new ATOM 0 HB THR A 33 34.133 36.718 -1.769 1.00 0.00 H new ATOM 0 HG1 THR A 33 32.294 38.164 -1.990 1.00 0.00 H new ATOM 0 HG21 THR A 33 31.966 36.074 -2.856 1.00 0.00 H new ATOM 0 HG22 THR A 33 32.754 34.700 -2.046 1.00 0.00 H new ATOM 0 HG23 THR A 33 31.371 35.512 -1.276 1.00 0.00 H new ATOM 502 N GLY A 34 31.905 34.729 1.295 1.00 0.00 N ATOM 503 CA GLY A 34 30.815 34.444 2.256 1.00 0.00 C ATOM 504 C GLY A 34 29.411 34.262 1.672 1.00 0.00 C ATOM 505 O GLY A 34 28.465 33.963 2.402 1.00 0.00 O ATOM 0 H GLY A 34 32.183 33.916 0.746 1.00 0.00 H new ATOM 0 HA2 GLY A 34 31.074 33.539 2.806 1.00 0.00 H new ATOM 0 HA3 GLY A 34 30.779 35.258 2.980 1.00 0.00 H new ATOM 509 N SER A 35 29.286 34.369 0.351 1.00 0.00 N ATOM 510 CA SER A 35 28.047 34.220 -0.420 1.00 0.00 C ATOM 511 C SER A 35 28.367 33.546 -1.748 1.00 0.00 C ATOM 512 O SER A 35 29.347 33.904 -2.402 1.00 0.00 O ATOM 513 CB SER A 35 27.383 35.579 -0.687 1.00 0.00 C ATOM 514 OG SER A 35 26.949 36.177 0.524 1.00 0.00 O ATOM 0 H SER A 35 30.088 34.573 -0.245 1.00 0.00 H new ATOM 0 HA SER A 35 27.352 33.613 0.160 1.00 0.00 H new ATOM 0 HB2 SER A 35 28.088 36.240 -1.191 1.00 0.00 H new ATOM 0 HB3 SER A 35 26.534 35.448 -1.357 1.00 0.00 H new ATOM 0 HG SER A 35 26.531 37.042 0.330 1.00 0.00 H new ATOM 520 N VAL A 36 27.550 32.578 -2.157 1.00 0.00 N ATOM 521 CA VAL A 36 27.675 31.873 -3.448 1.00 0.00 C ATOM 522 C VAL A 36 26.472 32.182 -4.337 1.00 0.00 C ATOM 523 O VAL A 36 25.346 32.321 -3.853 1.00 0.00 O ATOM 524 CB VAL A 36 27.893 30.365 -3.226 1.00 0.00 C ATOM 525 CG1 VAL A 36 26.653 29.651 -2.687 1.00 0.00 C ATOM 526 CG2 VAL A 36 28.338 29.662 -4.512 1.00 0.00 C ATOM 0 H VAL A 36 26.765 32.249 -1.596 1.00 0.00 H new ATOM 0 HA VAL A 36 28.558 32.235 -3.975 1.00 0.00 H new ATOM 0 HB VAL A 36 28.681 30.301 -2.475 1.00 0.00 H new ATOM 0 HG11 VAL A 36 26.873 28.592 -2.553 1.00 0.00 H new ATOM 0 HG12 VAL A 36 26.370 30.087 -1.729 1.00 0.00 H new ATOM 0 HG13 VAL A 36 25.832 29.764 -3.395 1.00 0.00 H new ATOM 0 HG21 VAL A 36 28.482 28.600 -4.315 1.00 0.00 H new ATOM 0 HG22 VAL A 36 27.574 29.789 -5.279 1.00 0.00 H new ATOM 0 HG23 VAL A 36 29.276 30.097 -4.859 1.00 0.00 H new ATOM 536 N ASP A 37 26.714 32.307 -5.639 1.00 0.00 N ATOM 537 CA ASP A 37 25.750 32.802 -6.623 1.00 0.00 C ATOM 538 C ASP A 37 25.628 31.832 -7.804 1.00 0.00 C ATOM 539 O ASP A 37 26.541 31.050 -8.073 1.00 0.00 O ATOM 540 CB ASP A 37 26.186 34.201 -7.103 1.00 0.00 C ATOM 541 CG ASP A 37 26.654 35.125 -5.962 1.00 0.00 C ATOM 542 OD1 ASP A 37 25.804 35.849 -5.389 1.00 0.00 O ATOM 543 OD2 ASP A 37 27.873 35.143 -5.651 1.00 0.00 O ATOM 0 H ASP A 37 27.613 32.060 -6.053 1.00 0.00 H new ATOM 0 HA ASP A 37 24.768 32.874 -6.156 1.00 0.00 H new ATOM 0 HB2 ASP A 37 26.994 34.093 -7.826 1.00 0.00 H new ATOM 0 HB3 ASP A 37 25.353 34.673 -7.624 1.00 0.00 H new ATOM 548 N GLU A 38 24.512 31.903 -8.536 1.00 0.00 N ATOM 549 CA GLU A 38 24.214 31.001 -9.664 1.00 0.00 C ATOM 550 C GLU A 38 25.355 30.927 -10.695 1.00 0.00 C ATOM 551 O GLU A 38 25.690 29.855 -11.197 1.00 0.00 O ATOM 552 CB GLU A 38 22.922 31.485 -10.351 1.00 0.00 C ATOM 553 CG GLU A 38 22.176 30.341 -11.043 1.00 0.00 C ATOM 554 CD GLU A 38 21.080 30.842 -12.006 1.00 0.00 C ATOM 555 OE1 GLU A 38 20.311 31.769 -11.649 1.00 0.00 O ATOM 556 OE2 GLU A 38 20.985 30.304 -13.136 1.00 0.00 O ATOM 0 H GLU A 38 23.780 32.593 -8.364 1.00 0.00 H new ATOM 0 HA GLU A 38 24.094 29.995 -9.262 1.00 0.00 H new ATOM 0 HB2 GLU A 38 22.269 31.948 -9.611 1.00 0.00 H new ATOM 0 HB3 GLU A 38 23.167 32.253 -11.084 1.00 0.00 H new ATOM 0 HG2 GLU A 38 22.889 29.730 -11.597 1.00 0.00 H new ATOM 0 HG3 GLU A 38 21.724 29.698 -10.288 1.00 0.00 H new ATOM 563 N ASP A 39 25.998 32.072 -10.943 1.00 0.00 N ATOM 564 CA ASP A 39 27.120 32.237 -11.869 1.00 0.00 C ATOM 565 C ASP A 39 28.430 31.585 -11.396 1.00 0.00 C ATOM 566 O ASP A 39 29.289 31.287 -12.229 1.00 0.00 O ATOM 567 CB ASP A 39 27.298 33.745 -12.098 1.00 0.00 C ATOM 568 CG ASP A 39 28.380 34.075 -13.136 1.00 0.00 C ATOM 569 OD1 ASP A 39 28.174 33.759 -14.332 1.00 0.00 O ATOM 570 OD2 ASP A 39 29.415 34.680 -12.769 1.00 0.00 O ATOM 0 H ASP A 39 25.739 32.945 -10.484 1.00 0.00 H new ATOM 0 HA ASP A 39 26.884 31.715 -12.796 1.00 0.00 H new ATOM 0 HB2 ASP A 39 26.349 34.171 -12.424 1.00 0.00 H new ATOM 0 HB3 ASP A 39 27.554 34.222 -11.152 1.00 0.00 H new ATOM 575 N PHE A 40 28.583 31.305 -10.096 1.00 0.00 N ATOM 576 CA PHE A 40 29.714 30.531 -9.579 1.00 0.00 C ATOM 577 C PHE A 40 29.496 29.019 -9.768 1.00 0.00 C ATOM 578 O PHE A 40 30.441 28.291 -10.076 1.00 0.00 O ATOM 579 CB PHE A 40 29.946 30.916 -8.109 1.00 0.00 C ATOM 580 CG PHE A 40 31.368 30.694 -7.627 1.00 0.00 C ATOM 581 CD1 PHE A 40 32.391 31.550 -8.081 1.00 0.00 C ATOM 582 CD2 PHE A 40 31.674 29.662 -6.720 1.00 0.00 C ATOM 583 CE1 PHE A 40 33.712 31.377 -7.632 1.00 0.00 C ATOM 584 CE2 PHE A 40 32.996 29.498 -6.264 1.00 0.00 C ATOM 585 CZ PHE A 40 34.015 30.352 -6.721 1.00 0.00 C ATOM 0 H PHE A 40 27.927 31.608 -9.376 1.00 0.00 H new ATOM 0 HA PHE A 40 30.614 30.771 -10.146 1.00 0.00 H new ATOM 0 HB2 PHE A 40 29.688 31.967 -7.975 1.00 0.00 H new ATOM 0 HB3 PHE A 40 29.267 30.338 -7.482 1.00 0.00 H new ATOM 0 HD1 PHE A 40 32.159 32.343 -8.777 1.00 0.00 H new ATOM 0 HD2 PHE A 40 30.896 28.997 -6.374 1.00 0.00 H new ATOM 0 HE1 PHE A 40 34.494 32.032 -7.988 1.00 0.00 H new ATOM 0 HE2 PHE A 40 33.228 28.713 -5.560 1.00 0.00 H new ATOM 0 HZ PHE A 40 35.029 30.220 -6.372 1.00 0.00 H new ATOM 595 N LEU A 41 28.249 28.540 -9.611 1.00 0.00 N ATOM 596 CA LEU A 41 27.874 27.111 -9.550 1.00 0.00 C ATOM 597 C LEU A 41 27.607 26.481 -10.916 1.00 0.00 C ATOM 598 O LEU A 41 27.969 25.321 -11.119 1.00 0.00 O ATOM 599 CB LEU A 41 26.637 27.000 -8.628 1.00 0.00 C ATOM 600 CG LEU A 41 26.915 27.345 -7.153 1.00 0.00 C ATOM 601 CD1 LEU A 41 25.598 27.424 -6.384 1.00 0.00 C ATOM 602 CD2 LEU A 41 27.804 26.308 -6.467 1.00 0.00 C ATOM 0 H LEU A 41 27.443 29.158 -9.519 1.00 0.00 H new ATOM 0 HA LEU A 41 28.718 26.547 -9.153 1.00 0.00 H new ATOM 0 HB2 LEU A 41 25.857 27.663 -9.004 1.00 0.00 H new ATOM 0 HB3 LEU A 41 26.246 25.984 -8.684 1.00 0.00 H new ATOM 0 HG LEU A 41 27.435 28.303 -7.147 1.00 0.00 H new ATOM 0 HD11 LEU A 41 25.800 27.668 -5.341 1.00 0.00 H new ATOM 0 HD12 LEU A 41 24.967 28.197 -6.822 1.00 0.00 H new ATOM 0 HD13 LEU A 41 25.086 26.463 -6.439 1.00 0.00 H new ATOM 0 HD21 LEU A 41 27.969 26.599 -5.430 1.00 0.00 H new ATOM 0 HD22 LEU A 41 27.316 25.334 -6.497 1.00 0.00 H new ATOM 0 HD23 LEU A 41 28.762 26.251 -6.984 1.00 0.00 H new ATOM 614 N ARG A 42 27.074 27.243 -11.878 1.00 0.00 N ATOM 615 CA ARG A 42 26.913 26.782 -13.279 1.00 0.00 C ATOM 616 C ARG A 42 28.222 26.292 -13.921 1.00 0.00 C ATOM 617 O ARG A 42 28.203 25.500 -14.855 1.00 0.00 O ATOM 618 CB ARG A 42 26.271 27.902 -14.113 1.00 0.00 C ATOM 619 CG ARG A 42 27.165 29.147 -14.225 1.00 0.00 C ATOM 620 CD ARG A 42 26.540 30.208 -15.140 1.00 0.00 C ATOM 621 NE ARG A 42 27.513 31.270 -15.459 1.00 0.00 N ATOM 622 CZ ARG A 42 28.487 31.253 -16.347 1.00 0.00 C ATOM 623 NH1 ARG A 42 28.696 30.263 -17.171 1.00 0.00 N ATOM 624 NH2 ARG A 42 29.278 32.280 -16.400 1.00 0.00 N ATOM 0 H ARG A 42 26.741 28.194 -11.718 1.00 0.00 H new ATOM 0 HA ARG A 42 26.258 25.911 -13.260 1.00 0.00 H new ATOM 0 HB2 ARG A 42 26.053 27.525 -15.112 1.00 0.00 H new ATOM 0 HB3 ARG A 42 25.319 28.183 -13.664 1.00 0.00 H new ATOM 0 HG2 ARG A 42 27.327 29.570 -13.234 1.00 0.00 H new ATOM 0 HG3 ARG A 42 28.142 28.861 -14.613 1.00 0.00 H new ATOM 0 HD2 ARG A 42 26.192 29.740 -16.061 1.00 0.00 H new ATOM 0 HD3 ARG A 42 25.667 30.644 -14.654 1.00 0.00 H new ATOM 0 HE ARG A 42 27.420 32.132 -14.921 1.00 0.00 H new ATOM 0 HH11 ARG A 42 28.088 29.444 -17.149 1.00 0.00 H new ATOM 0 HH12 ARG A 42 29.467 30.308 -17.837 1.00 0.00 H new ATOM 0 HH21 ARG A 42 29.135 33.067 -15.767 1.00 0.00 H new ATOM 0 HH22 ARG A 42 30.042 32.301 -17.075 1.00 0.00 H new ATOM 638 N GLU A 43 29.360 26.738 -13.389 1.00 0.00 N ATOM 639 CA GLU A 43 30.698 26.314 -13.831 1.00 0.00 C ATOM 640 C GLU A 43 31.191 25.005 -13.188 1.00 0.00 C ATOM 641 O GLU A 43 32.183 24.445 -13.655 1.00 0.00 O ATOM 642 CB GLU A 43 31.714 27.442 -13.584 1.00 0.00 C ATOM 643 CG GLU A 43 31.224 28.782 -14.139 1.00 0.00 C ATOM 644 CD GLU A 43 32.392 29.729 -14.471 1.00 0.00 C ATOM 645 OE1 GLU A 43 33.141 30.137 -13.549 1.00 0.00 O ATOM 646 OE2 GLU A 43 32.574 30.071 -15.666 1.00 0.00 O ATOM 0 H GLU A 43 29.384 27.415 -12.626 1.00 0.00 H new ATOM 0 HA GLU A 43 30.611 26.106 -14.897 1.00 0.00 H new ATOM 0 HB2 GLU A 43 31.898 27.537 -12.514 1.00 0.00 H new ATOM 0 HB3 GLU A 43 32.665 27.182 -14.049 1.00 0.00 H new ATOM 0 HG2 GLU A 43 30.632 28.608 -15.037 1.00 0.00 H new ATOM 0 HG3 GLU A 43 30.567 29.258 -13.411 1.00 0.00 H new ATOM 653 N GLN A 44 30.537 24.487 -12.134 1.00 0.00 N ATOM 654 CA GLN A 44 31.030 23.354 -11.314 1.00 0.00 C ATOM 655 C GLN A 44 30.216 22.054 -11.484 1.00 0.00 C ATOM 656 O GLN A 44 30.713 20.961 -11.230 1.00 0.00 O ATOM 657 CB GLN A 44 30.991 23.731 -9.818 1.00 0.00 C ATOM 658 CG GLN A 44 31.420 25.163 -9.479 1.00 0.00 C ATOM 659 CD GLN A 44 32.822 25.547 -9.949 1.00 0.00 C ATOM 660 OE1 GLN A 44 33.724 24.732 -10.099 1.00 0.00 O ATOM 661 NE2 GLN A 44 33.054 26.822 -10.161 1.00 0.00 N ATOM 0 H GLN A 44 29.636 24.846 -11.818 1.00 0.00 H new ATOM 0 HA GLN A 44 32.044 23.164 -11.665 1.00 0.00 H new ATOM 0 HB2 GLN A 44 29.976 23.580 -9.451 1.00 0.00 H new ATOM 0 HB3 GLN A 44 31.634 23.040 -9.272 1.00 0.00 H new ATOM 0 HG2 GLN A 44 30.703 25.855 -9.921 1.00 0.00 H new ATOM 0 HG3 GLN A 44 31.367 25.296 -8.398 1.00 0.00 H new ATOM 0 HE21 GLN A 44 32.306 27.504 -10.037 1.00 0.00 H new ATOM 0 HE22 GLN A 44 33.983 27.130 -10.449 1.00 0.00 H new ATOM 670 N ILE A 45 28.962 22.160 -11.948 1.00 0.00 N ATOM 671 CA ILE A 45 28.020 21.037 -12.236 1.00 0.00 C ATOM 672 C ILE A 45 28.475 20.015 -13.301 1.00 0.00 C ATOM 673 O ILE A 45 28.115 18.841 -13.305 1.00 0.00 O ATOM 674 CB ILE A 45 26.752 21.630 -12.878 1.00 0.00 C ATOM 675 CG1 ILE A 45 26.920 22.893 -13.746 1.00 0.00 C ATOM 676 CG2 ILE A 45 25.657 21.846 -11.833 1.00 0.00 C ATOM 677 CD1 ILE A 45 25.813 23.031 -14.801 1.00 0.00 C ATOM 0 H ILE A 45 28.545 23.069 -12.146 1.00 0.00 H new ATOM 0 HA ILE A 45 27.913 20.536 -11.274 1.00 0.00 H new ATOM 0 HB ILE A 45 26.463 20.862 -13.595 1.00 0.00 H new ATOM 0 HG12 ILE A 45 26.918 23.774 -13.104 1.00 0.00 H new ATOM 0 HG13 ILE A 45 27.890 22.862 -14.243 1.00 0.00 H new ATOM 0 HG21 ILE A 45 24.773 22.265 -12.314 1.00 0.00 H new ATOM 0 HG22 ILE A 45 25.401 20.892 -11.372 1.00 0.00 H new ATOM 0 HG23 ILE A 45 26.015 22.535 -11.068 1.00 0.00 H new ATOM 0 HD11 ILE A 45 25.978 23.936 -15.385 1.00 0.00 H new ATOM 0 HD12 ILE A 45 25.830 22.164 -15.462 1.00 0.00 H new ATOM 0 HD13 ILE A 45 24.844 23.090 -14.306 1.00 0.00 H new ATOM 735 N ARG A 49 22.177 18.723 -14.353 1.00 0.00 N ATOM 736 CA ARG A 49 21.193 19.679 -14.895 1.00 0.00 C ATOM 737 C ARG A 49 21.053 20.942 -14.038 1.00 0.00 C ATOM 738 O ARG A 49 21.241 22.048 -14.550 1.00 0.00 O ATOM 739 CB ARG A 49 19.848 18.967 -15.151 1.00 0.00 C ATOM 740 CG ARG A 49 19.105 19.517 -16.380 1.00 0.00 C ATOM 741 CD ARG A 49 19.719 19.041 -17.703 1.00 0.00 C ATOM 742 NE ARG A 49 18.964 19.564 -18.859 1.00 0.00 N ATOM 743 CZ ARG A 49 19.255 19.390 -20.136 1.00 0.00 C ATOM 744 NH1 ARG A 49 20.289 18.696 -20.522 1.00 0.00 N ATOM 745 NH2 ARG A 49 18.503 19.916 -21.061 1.00 0.00 N ATOM 0 HA ARG A 49 21.566 20.039 -15.854 1.00 0.00 H new ATOM 0 HB2 ARG A 49 20.027 17.901 -15.288 1.00 0.00 H new ATOM 0 HB3 ARG A 49 19.213 19.073 -14.271 1.00 0.00 H new ATOM 0 HG2 ARG A 49 18.061 19.208 -16.337 1.00 0.00 H new ATOM 0 HG3 ARG A 49 19.117 20.607 -16.350 1.00 0.00 H new ATOM 0 HD2 ARG A 49 20.757 19.369 -17.764 1.00 0.00 H new ATOM 0 HD3 ARG A 49 19.726 17.951 -17.733 1.00 0.00 H new ATOM 0 HE ARG A 49 18.132 20.116 -18.650 1.00 0.00 H new ATOM 0 HH11 ARG A 49 20.903 18.267 -19.829 1.00 0.00 H new ATOM 0 HH12 ARG A 49 20.484 18.582 -21.517 1.00 0.00 H new ATOM 0 HH21 ARG A 49 17.684 20.466 -20.801 1.00 0.00 H new ATOM 0 HH22 ARG A 49 18.733 19.778 -22.045 1.00 0.00 H new ATOM 759 N TYR A 50 20.768 20.777 -12.744 1.00 0.00 N ATOM 760 CA TYR A 50 20.496 21.858 -11.801 1.00 0.00 C ATOM 761 C TYR A 50 21.293 21.682 -10.496 1.00 0.00 C ATOM 762 O TYR A 50 21.266 20.614 -9.889 1.00 0.00 O ATOM 763 CB TYR A 50 18.981 21.871 -11.487 1.00 0.00 C ATOM 764 CG TYR A 50 18.037 21.551 -12.639 1.00 0.00 C ATOM 765 CD1 TYR A 50 18.147 22.243 -13.857 1.00 0.00 C ATOM 766 CD2 TYR A 50 17.040 20.566 -12.491 1.00 0.00 C ATOM 767 CE1 TYR A 50 17.275 21.958 -14.923 1.00 0.00 C ATOM 768 CE2 TYR A 50 16.164 20.271 -13.556 1.00 0.00 C ATOM 769 CZ TYR A 50 16.281 20.970 -14.777 1.00 0.00 C ATOM 770 OH TYR A 50 15.443 20.697 -15.812 1.00 0.00 O ATOM 0 H TYR A 50 20.719 19.854 -12.312 1.00 0.00 H new ATOM 0 HA TYR A 50 20.803 22.802 -12.252 1.00 0.00 H new ATOM 0 HB2 TYR A 50 18.794 21.156 -10.686 1.00 0.00 H new ATOM 0 HB3 TYR A 50 18.723 22.857 -11.100 1.00 0.00 H new ATOM 0 HD1 TYR A 50 18.908 23.000 -13.976 1.00 0.00 H new ATOM 0 HD2 TYR A 50 16.946 20.034 -11.556 1.00 0.00 H new ATOM 0 HE1 TYR A 50 17.367 22.497 -15.854 1.00 0.00 H new ATOM 0 HE2 TYR A 50 15.405 19.512 -13.438 1.00 0.00 H new ATOM 0 HH TYR A 50 14.817 19.990 -15.549 1.00 0.00 H new ATOM 780 N ALA A 51 21.993 22.722 -10.037 1.00 0.00 N ATOM 781 CA ALA A 51 22.595 22.764 -8.691 1.00 0.00 C ATOM 782 C ALA A 51 21.756 23.708 -7.812 1.00 0.00 C ATOM 783 O ALA A 51 21.252 24.714 -8.308 1.00 0.00 O ATOM 784 CB ALA A 51 24.072 23.162 -8.776 1.00 0.00 C ATOM 0 H ALA A 51 22.162 23.565 -10.586 1.00 0.00 H new ATOM 0 HA ALA A 51 22.582 21.777 -8.228 1.00 0.00 H new ATOM 0 HB1 ALA A 51 24.500 23.188 -7.774 1.00 0.00 H new ATOM 0 HB2 ALA A 51 24.611 22.434 -9.382 1.00 0.00 H new ATOM 0 HB3 ALA A 51 24.157 24.148 -9.233 1.00 0.00 H new ATOM 790 N VAL A 52 21.564 23.403 -6.526 1.00 0.00 N ATOM 791 CA VAL A 52 20.612 24.106 -5.643 1.00 0.00 C ATOM 792 C VAL A 52 21.222 24.343 -4.256 1.00 0.00 C ATOM 793 O VAL A 52 21.922 23.484 -3.713 1.00 0.00 O ATOM 794 CB VAL A 52 19.278 23.325 -5.566 1.00 0.00 C ATOM 795 CG1 VAL A 52 18.304 23.898 -4.524 1.00 0.00 C ATOM 796 CG2 VAL A 52 18.562 23.302 -6.923 1.00 0.00 C ATOM 0 H VAL A 52 22.069 22.652 -6.056 1.00 0.00 H new ATOM 0 HA VAL A 52 20.397 25.087 -6.066 1.00 0.00 H new ATOM 0 HB VAL A 52 19.557 22.315 -5.266 1.00 0.00 H new ATOM 0 HG11 VAL A 52 17.388 23.307 -4.518 1.00 0.00 H new ATOM 0 HG12 VAL A 52 18.765 23.862 -3.537 1.00 0.00 H new ATOM 0 HG13 VAL A 52 18.067 24.932 -4.777 1.00 0.00 H new ATOM 0 HG21 VAL A 52 17.629 22.745 -6.833 1.00 0.00 H new ATOM 0 HG22 VAL A 52 18.346 24.323 -7.238 1.00 0.00 H new ATOM 0 HG23 VAL A 52 19.201 22.821 -7.664 1.00 0.00 H new ATOM 806 N ILE A 53 20.952 25.520 -3.690 1.00 0.00 N ATOM 807 CA ILE A 53 21.547 26.032 -2.446 1.00 0.00 C ATOM 808 C ILE A 53 20.544 26.185 -1.306 1.00 0.00 C ATOM 809 O ILE A 53 19.489 26.793 -1.468 1.00 0.00 O ATOM 810 CB ILE A 53 22.294 27.354 -2.750 1.00 0.00 C ATOM 811 CG1 ILE A 53 23.744 27.072 -3.191 1.00 0.00 C ATOM 812 CG2 ILE A 53 22.277 28.430 -1.638 1.00 0.00 C ATOM 813 CD1 ILE A 53 24.622 26.443 -2.099 1.00 0.00 C ATOM 0 H ILE A 53 20.285 26.173 -4.100 1.00 0.00 H new ATOM 0 HA ILE A 53 22.258 25.289 -2.084 1.00 0.00 H new ATOM 0 HB ILE A 53 21.716 27.795 -3.562 1.00 0.00 H new ATOM 0 HG12 ILE A 53 23.727 26.408 -4.055 1.00 0.00 H new ATOM 0 HG13 ILE A 53 24.201 28.006 -3.516 1.00 0.00 H new ATOM 0 HG21 ILE A 53 22.833 29.306 -1.971 1.00 0.00 H new ATOM 0 HG22 ILE A 53 21.247 28.714 -1.422 1.00 0.00 H new ATOM 0 HG23 ILE A 53 22.739 28.029 -0.736 1.00 0.00 H new ATOM 0 HD11 ILE A 53 25.626 26.277 -2.490 1.00 0.00 H new ATOM 0 HD12 ILE A 53 24.673 27.114 -1.242 1.00 0.00 H new ATOM 0 HD13 ILE A 53 24.191 25.491 -1.789 1.00 0.00 H new ATOM 825 N ARG A 54 20.942 25.718 -0.119 1.00 0.00 N ATOM 826 CA ARG A 54 20.267 25.918 1.174 1.00 0.00 C ATOM 827 C ARG A 54 21.310 26.252 2.254 1.00 0.00 C ATOM 828 O ARG A 54 21.615 25.455 3.137 1.00 0.00 O ATOM 829 CB ARG A 54 19.453 24.659 1.529 1.00 0.00 C ATOM 830 CG ARG A 54 18.402 24.199 0.506 1.00 0.00 C ATOM 831 CD ARG A 54 17.237 25.180 0.349 1.00 0.00 C ATOM 832 NE ARG A 54 16.362 24.794 -0.780 1.00 0.00 N ATOM 833 CZ ARG A 54 15.365 23.924 -0.774 1.00 0.00 C ATOM 834 NH1 ARG A 54 15.017 23.270 0.299 1.00 0.00 N ATOM 835 NH2 ARG A 54 14.691 23.688 -1.863 1.00 0.00 N ATOM 0 H ARG A 54 21.790 25.159 -0.025 1.00 0.00 H new ATOM 0 HA ARG A 54 19.574 26.757 1.112 1.00 0.00 H new ATOM 0 HB2 ARG A 54 20.151 23.838 1.690 1.00 0.00 H new ATOM 0 HB3 ARG A 54 18.947 24.838 2.478 1.00 0.00 H new ATOM 0 HG2 ARG A 54 18.884 24.061 -0.462 1.00 0.00 H new ATOM 0 HG3 ARG A 54 18.011 23.228 0.809 1.00 0.00 H new ATOM 0 HD2 ARG A 54 16.655 25.209 1.270 1.00 0.00 H new ATOM 0 HD3 ARG A 54 17.624 26.186 0.185 1.00 0.00 H new ATOM 0 HE ARG A 54 16.550 25.254 -1.671 1.00 0.00 H new ATOM 0 HH11 ARG A 54 15.519 23.421 1.174 1.00 0.00 H new ATOM 0 HH12 ARG A 54 14.242 22.607 0.264 1.00 0.00 H new ATOM 0 HH21 ARG A 54 14.931 24.175 -2.727 1.00 0.00 H new ATOM 0 HH22 ARG A 54 13.923 23.016 -1.852 1.00 0.00 H new ATOM 849 N ILE A 55 21.906 27.442 2.147 1.00 0.00 N ATOM 850 CA ILE A 55 22.799 28.015 3.178 1.00 0.00 C ATOM 851 C ILE A 55 21.963 28.843 4.177 1.00 0.00 C ATOM 852 O ILE A 55 21.242 29.742 3.737 1.00 0.00 O ATOM 853 CB ILE A 55 23.908 28.887 2.540 1.00 0.00 C ATOM 854 CG1 ILE A 55 24.839 28.074 1.619 1.00 0.00 C ATOM 855 CG2 ILE A 55 24.769 29.565 3.626 1.00 0.00 C ATOM 856 CD1 ILE A 55 25.474 28.932 0.530 1.00 0.00 C ATOM 0 H ILE A 55 21.786 28.048 1.335 1.00 0.00 H new ATOM 0 HA ILE A 55 23.291 27.199 3.707 1.00 0.00 H new ATOM 0 HB ILE A 55 23.393 29.639 1.942 1.00 0.00 H new ATOM 0 HG12 ILE A 55 25.624 27.612 2.217 1.00 0.00 H new ATOM 0 HG13 ILE A 55 24.273 27.266 1.157 1.00 0.00 H new ATOM 0 HG21 ILE A 55 25.541 30.172 3.152 1.00 0.00 H new ATOM 0 HG22 ILE A 55 24.138 30.201 4.247 1.00 0.00 H new ATOM 0 HG23 ILE A 55 25.238 28.802 4.247 1.00 0.00 H new ATOM 0 HD11 ILE A 55 26.120 28.312 -0.091 1.00 0.00 H new ATOM 0 HD12 ILE A 55 24.692 29.373 -0.088 1.00 0.00 H new ATOM 0 HD13 ILE A 55 26.064 29.725 0.989 1.00 0.00 H new ATOM 868 N PRO A 56 22.074 28.621 5.503 1.00 0.00 N ATOM 869 CA PRO A 56 21.406 29.462 6.496 1.00 0.00 C ATOM 870 C PRO A 56 21.872 30.929 6.443 1.00 0.00 C ATOM 871 O PRO A 56 23.068 31.222 6.414 1.00 0.00 O ATOM 872 CB PRO A 56 21.699 28.827 7.859 1.00 0.00 C ATOM 873 CG PRO A 56 22.024 27.373 7.520 1.00 0.00 C ATOM 874 CD PRO A 56 22.702 27.481 6.157 1.00 0.00 C ATOM 0 HA PRO A 56 20.335 29.504 6.297 1.00 0.00 H new ATOM 0 HB2 PRO A 56 22.534 29.318 8.358 1.00 0.00 H new ATOM 0 HB3 PRO A 56 20.841 28.900 8.527 1.00 0.00 H new ATOM 0 HG2 PRO A 56 22.682 26.923 8.263 1.00 0.00 H new ATOM 0 HG3 PRO A 56 21.125 26.758 7.476 1.00 0.00 H new ATOM 0 HD2 PRO A 56 23.776 27.632 6.263 1.00 0.00 H new ATOM 0 HD3 PRO A 56 22.564 26.569 5.576 1.00 0.00 H new ATOM 882 N GLY A 57 20.911 31.855 6.448 1.00 0.00 N ATOM 883 CA GLY A 57 21.144 33.305 6.497 1.00 0.00 C ATOM 884 C GLY A 57 21.394 33.995 5.147 1.00 0.00 C ATOM 885 O GLY A 57 21.628 35.205 5.131 1.00 0.00 O ATOM 0 H GLY A 57 19.921 31.613 6.417 1.00 0.00 H new ATOM 0 HA2 GLY A 57 20.281 33.775 6.968 1.00 0.00 H new ATOM 0 HA3 GLY A 57 22.002 33.493 7.143 1.00 0.00 H new ATOM 889 N GLN A 58 21.329 33.270 4.021 1.00 0.00 N ATOM 890 CA GLN A 58 21.382 33.841 2.663 1.00 0.00 C ATOM 891 C GLN A 58 20.327 33.207 1.726 1.00 0.00 C ATOM 892 O GLN A 58 19.884 32.084 1.987 1.00 0.00 O ATOM 893 CB GLN A 58 22.829 33.773 2.137 1.00 0.00 C ATOM 894 CG GLN A 58 23.299 32.422 1.597 1.00 0.00 C ATOM 895 CD GLN A 58 24.779 32.484 1.199 1.00 0.00 C ATOM 896 OE1 GLN A 58 25.153 32.381 0.037 1.00 0.00 O ATOM 897 NE2 GLN A 58 25.675 32.680 2.146 1.00 0.00 N ATOM 0 H GLN A 58 21.237 32.254 4.026 1.00 0.00 H new ATOM 0 HA GLN A 58 21.105 34.895 2.695 1.00 0.00 H new ATOM 0 HB2 GLN A 58 22.938 34.513 1.344 1.00 0.00 H new ATOM 0 HB3 GLN A 58 23.499 34.069 2.944 1.00 0.00 H new ATOM 0 HG2 GLN A 58 23.152 31.651 2.354 1.00 0.00 H new ATOM 0 HG3 GLN A 58 22.696 32.140 0.734 1.00 0.00 H new ATOM 0 HE21 GLN A 58 25.379 32.768 3.118 1.00 0.00 H new ATOM 0 HE22 GLN A 58 26.664 32.744 1.907 1.00 0.00 H new ATOM 906 N PRO A 59 19.882 33.901 0.659 1.00 0.00 N ATOM 907 CA PRO A 59 18.765 33.447 -0.170 1.00 0.00 C ATOM 908 C PRO A 59 19.097 32.195 -0.998 1.00 0.00 C ATOM 909 O PRO A 59 20.228 32.004 -1.456 1.00 0.00 O ATOM 910 CB PRO A 59 18.398 34.643 -1.055 1.00 0.00 C ATOM 911 CG PRO A 59 19.710 35.416 -1.169 1.00 0.00 C ATOM 912 CD PRO A 59 20.344 35.206 0.203 1.00 0.00 C ATOM 0 HA PRO A 59 17.927 33.134 0.453 1.00 0.00 H new ATOM 0 HB2 PRO A 59 18.034 34.323 -2.031 1.00 0.00 H new ATOM 0 HB3 PRO A 59 17.612 35.250 -0.605 1.00 0.00 H new ATOM 0 HG2 PRO A 59 20.340 35.028 -1.970 1.00 0.00 H new ATOM 0 HG3 PRO A 59 19.541 36.472 -1.379 1.00 0.00 H new ATOM 0 HD2 PRO A 59 21.432 35.235 0.140 1.00 0.00 H new ATOM 0 HD3 PRO A 59 20.044 35.991 0.897 1.00 0.00 H new ATOM 920 N VAL A 60 18.084 31.353 -1.221 1.00 0.00 N ATOM 921 CA VAL A 60 18.159 30.163 -2.087 1.00 0.00 C ATOM 922 C VAL A 60 18.557 30.532 -3.524 1.00 0.00 C ATOM 923 O VAL A 60 17.969 31.413 -4.155 1.00 0.00 O ATOM 924 CB VAL A 60 16.842 29.345 -2.035 1.00 0.00 C ATOM 925 CG1 VAL A 60 15.572 30.185 -2.252 1.00 0.00 C ATOM 926 CG2 VAL A 60 16.803 28.201 -3.055 1.00 0.00 C ATOM 0 H VAL A 60 17.165 31.479 -0.796 1.00 0.00 H new ATOM 0 HA VAL A 60 18.950 29.521 -1.699 1.00 0.00 H new ATOM 0 HB VAL A 60 16.845 28.949 -1.019 1.00 0.00 H new ATOM 0 HG11 VAL A 60 14.695 29.539 -2.201 1.00 0.00 H new ATOM 0 HG12 VAL A 60 15.505 30.950 -1.478 1.00 0.00 H new ATOM 0 HG13 VAL A 60 15.614 30.662 -3.231 1.00 0.00 H new ATOM 0 HG21 VAL A 60 15.856 27.668 -2.968 1.00 0.00 H new ATOM 0 HG22 VAL A 60 16.899 28.608 -4.062 1.00 0.00 H new ATOM 0 HG23 VAL A 60 17.626 27.513 -2.862 1.00 0.00 H new ATOM 936 N VAL A 61 19.557 29.813 -4.040 1.00 0.00 N ATOM 937 CA VAL A 61 20.004 29.843 -5.444 1.00 0.00 C ATOM 938 C VAL A 61 19.628 28.520 -6.113 1.00 0.00 C ATOM 939 O VAL A 61 19.778 27.455 -5.512 1.00 0.00 O ATOM 940 CB VAL A 61 21.516 30.144 -5.539 1.00 0.00 C ATOM 941 CG1 VAL A 61 22.062 30.049 -6.966 1.00 0.00 C ATOM 942 CG2 VAL A 61 21.826 31.545 -5.002 1.00 0.00 C ATOM 0 H VAL A 61 20.103 29.166 -3.471 1.00 0.00 H new ATOM 0 HA VAL A 61 19.501 30.651 -5.975 1.00 0.00 H new ATOM 0 HB VAL A 61 22.004 29.380 -4.934 1.00 0.00 H new ATOM 0 HG11 VAL A 61 23.129 30.272 -6.963 1.00 0.00 H new ATOM 0 HG12 VAL A 61 21.903 29.041 -7.350 1.00 0.00 H new ATOM 0 HG13 VAL A 61 21.544 30.766 -7.602 1.00 0.00 H new ATOM 0 HG21 VAL A 61 22.896 31.735 -5.079 1.00 0.00 H new ATOM 0 HG22 VAL A 61 21.283 32.287 -5.587 1.00 0.00 H new ATOM 0 HG23 VAL A 61 21.520 31.610 -3.958 1.00 0.00 H new ATOM 952 N GLU A 62 19.161 28.577 -7.360 1.00 0.00 N ATOM 953 CA GLU A 62 18.800 27.409 -8.173 1.00 0.00 C ATOM 954 C GLU A 62 19.370 27.604 -9.588 1.00 0.00 C ATOM 955 O GLU A 62 18.911 28.465 -10.343 1.00 0.00 O ATOM 956 CB GLU A 62 17.269 27.229 -8.221 1.00 0.00 C ATOM 957 CG GLU A 62 16.633 26.990 -6.845 1.00 0.00 C ATOM 958 CD GLU A 62 15.102 26.852 -6.933 1.00 0.00 C ATOM 959 OE1 GLU A 62 14.405 27.858 -7.209 1.00 0.00 O ATOM 960 OE2 GLU A 62 14.563 25.746 -6.687 1.00 0.00 O ATOM 0 H GLU A 62 19.018 29.461 -7.849 1.00 0.00 H new ATOM 0 HA GLU A 62 19.221 26.507 -7.728 1.00 0.00 H new ATOM 0 HB2 GLU A 62 16.822 28.116 -8.669 1.00 0.00 H new ATOM 0 HB3 GLU A 62 17.031 26.388 -8.873 1.00 0.00 H new ATOM 0 HG2 GLU A 62 17.054 26.087 -6.403 1.00 0.00 H new ATOM 0 HG3 GLU A 62 16.885 27.817 -6.181 1.00 0.00 H new ATOM 967 N VAL A 63 20.404 26.839 -9.944 1.00 0.00 N ATOM 968 CA VAL A 63 21.104 26.911 -11.234 1.00 0.00 C ATOM 969 C VAL A 63 20.335 26.152 -12.318 1.00 0.00 C ATOM 970 O VAL A 63 19.703 25.134 -12.037 1.00 0.00 O ATOM 971 CB VAL A 63 22.523 26.338 -11.079 1.00 0.00 C ATOM 972 CG1 VAL A 63 23.382 26.511 -12.327 1.00 0.00 C ATOM 973 CG2 VAL A 63 23.311 26.955 -9.919 1.00 0.00 C ATOM 0 H VAL A 63 20.792 26.128 -9.324 1.00 0.00 H new ATOM 0 HA VAL A 63 21.168 27.955 -11.542 1.00 0.00 H new ATOM 0 HB VAL A 63 22.339 25.281 -10.886 1.00 0.00 H new ATOM 0 HG11 VAL A 63 24.370 26.086 -12.151 1.00 0.00 H new ATOM 0 HG12 VAL A 63 22.911 25.999 -13.167 1.00 0.00 H new ATOM 0 HG13 VAL A 63 23.480 27.572 -12.557 1.00 0.00 H new ATOM 0 HG21 VAL A 63 24.302 26.503 -9.871 1.00 0.00 H new ATOM 0 HG22 VAL A 63 23.410 28.029 -10.077 1.00 0.00 H new ATOM 0 HG23 VAL A 63 22.783 26.773 -8.983 1.00 0.00 H new ATOM 983 N GLY A 64 20.432 26.592 -13.575 1.00 0.00 N ATOM 984 CA GLY A 64 19.836 25.887 -14.710 1.00 0.00 C ATOM 985 C GLY A 64 18.335 26.170 -14.842 1.00 0.00 C ATOM 986 O GLY A 64 17.951 27.168 -15.458 1.00 0.00 O ATOM 0 H GLY A 64 20.926 27.446 -13.833 1.00 0.00 H new ATOM 0 HA2 GLY A 64 20.343 26.185 -15.628 1.00 0.00 H new ATOM 0 HA3 GLY A 64 19.993 24.815 -14.593 1.00 0.00 H new ATOM 990 N THR A 65 17.495 25.311 -14.254 1.00 0.00 N ATOM 991 CA THR A 65 16.019 25.434 -14.248 1.00 0.00 C ATOM 992 C THR A 65 15.467 24.817 -12.953 1.00 0.00 C ATOM 993 O THR A 65 16.129 23.987 -12.331 1.00 0.00 O ATOM 994 CB THR A 65 15.368 24.730 -15.467 1.00 0.00 C ATOM 995 OG1 THR A 65 16.098 24.924 -16.664 1.00 0.00 O ATOM 996 CG2 THR A 65 13.954 25.234 -15.762 1.00 0.00 C ATOM 0 H THR A 65 17.824 24.486 -13.753 1.00 0.00 H new ATOM 0 HA THR A 65 15.773 26.494 -14.307 1.00 0.00 H new ATOM 0 HB THR A 65 15.355 23.679 -15.179 1.00 0.00 H new ATOM 0 HG1 THR A 65 15.648 24.460 -17.401 1.00 0.00 H new ATOM 0 HG21 THR A 65 13.552 24.704 -16.625 1.00 0.00 H new ATOM 0 HG22 THR A 65 13.316 25.055 -14.897 1.00 0.00 H new ATOM 0 HG23 THR A 65 13.986 26.303 -15.975 1.00 0.00 H new ATOM 1004 N LYS A 66 14.255 25.183 -12.520 1.00 0.00 N ATOM 1005 CA LYS A 66 13.590 24.539 -11.378 1.00 0.00 C ATOM 1006 C LYS A 66 13.009 23.162 -11.782 1.00 0.00 C ATOM 1007 O LYS A 66 12.285 23.091 -12.781 1.00 0.00 O ATOM 1008 CB LYS A 66 12.526 25.493 -10.812 1.00 0.00 C ATOM 1009 CG LYS A 66 12.085 25.071 -9.405 1.00 0.00 C ATOM 1010 CD LYS A 66 11.047 26.046 -8.832 1.00 0.00 C ATOM 1011 CE LYS A 66 10.748 25.760 -7.353 1.00 0.00 C ATOM 1012 NZ LYS A 66 11.822 26.273 -6.459 1.00 0.00 N ATOM 0 H LYS A 66 13.708 25.930 -12.948 1.00 0.00 H new ATOM 0 HA LYS A 66 14.315 24.339 -10.589 1.00 0.00 H new ATOM 0 HB2 LYS A 66 12.925 26.507 -10.781 1.00 0.00 H new ATOM 0 HB3 LYS A 66 11.661 25.511 -11.476 1.00 0.00 H new ATOM 0 HG2 LYS A 66 11.664 24.066 -9.439 1.00 0.00 H new ATOM 0 HG3 LYS A 66 12.952 25.031 -8.746 1.00 0.00 H new ATOM 0 HD2 LYS A 66 11.412 27.068 -8.938 1.00 0.00 H new ATOM 0 HD3 LYS A 66 10.125 25.975 -9.409 1.00 0.00 H new ATOM 0 HE2 LYS A 66 9.798 26.219 -7.079 1.00 0.00 H new ATOM 0 HE3 LYS A 66 10.636 24.686 -7.207 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 11.625 25.986 -5.479 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 12.738 25.881 -6.757 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 11.855 27.311 -6.516 1.00 0.00 H new ATOM 1026 N PRO A 67 13.305 22.072 -11.045 1.00 0.00 N ATOM 1027 CA PRO A 67 12.898 20.711 -11.388 1.00 0.00 C ATOM 1028 C PRO A 67 11.422 20.391 -11.118 1.00 0.00 C ATOM 1029 O PRO A 67 10.766 20.975 -10.254 1.00 0.00 O ATOM 1030 CB PRO A 67 13.797 19.790 -10.571 1.00 0.00 C ATOM 1031 CG PRO A 67 14.159 20.626 -9.355 1.00 0.00 C ATOM 1032 CD PRO A 67 14.198 22.046 -9.903 1.00 0.00 C ATOM 0 HA PRO A 67 13.005 20.576 -12.464 1.00 0.00 H new ATOM 0 HB2 PRO A 67 13.279 18.874 -10.287 1.00 0.00 H new ATOM 0 HB3 PRO A 67 14.684 19.495 -11.132 1.00 0.00 H new ATOM 0 HG2 PRO A 67 13.420 20.522 -8.561 1.00 0.00 H new ATOM 0 HG3 PRO A 67 15.121 20.330 -8.936 1.00 0.00 H new ATOM 0 HD2 PRO A 67 13.880 22.763 -9.146 1.00 0.00 H new ATOM 0 HD3 PRO A 67 15.211 22.321 -10.197 1.00 0.00 H new ATOM 1040 N THR A 68 10.928 19.399 -11.866 1.00 0.00 N ATOM 1041 CA THR A 68 9.485 19.074 -11.932 1.00 0.00 C ATOM 1042 C THR A 68 8.974 18.121 -10.837 1.00 0.00 C ATOM 1043 O THR A 68 7.826 18.234 -10.398 1.00 0.00 O ATOM 1044 CB THR A 68 9.148 18.565 -13.347 1.00 0.00 C ATOM 1045 OG1 THR A 68 7.756 18.439 -13.522 1.00 0.00 O ATOM 1046 CG2 THR A 68 9.791 17.214 -13.678 1.00 0.00 C ATOM 0 H THR A 68 11.511 18.794 -12.445 1.00 0.00 H new ATOM 0 HA THR A 68 8.948 20.000 -11.726 1.00 0.00 H new ATOM 0 HB THR A 68 9.558 19.315 -14.024 1.00 0.00 H new ATOM 0 HG1 THR A 68 7.568 18.116 -14.428 1.00 0.00 H new ATOM 0 HG21 THR A 68 9.512 16.916 -14.689 1.00 0.00 H new ATOM 0 HG22 THR A 68 10.875 17.301 -13.612 1.00 0.00 H new ATOM 0 HG23 THR A 68 9.444 16.462 -12.969 1.00 0.00 H new ATOM 1054 N GLY A 69 9.820 17.195 -10.370 1.00 0.00 N ATOM 1055 CA GLY A 69 9.473 16.151 -9.389 1.00 0.00 C ATOM 1056 C GLY A 69 10.059 14.784 -9.753 1.00 0.00 C ATOM 1057 O GLY A 69 10.622 14.096 -8.903 1.00 0.00 O ATOM 0 H GLY A 69 10.794 17.147 -10.671 1.00 0.00 H new ATOM 0 HA2 GLY A 69 9.836 16.447 -8.405 1.00 0.00 H new ATOM 0 HA3 GLY A 69 8.388 16.070 -9.318 1.00 0.00 H new ATOM 1061 N ASP A 70 10.016 14.426 -11.041 1.00 0.00 N ATOM 1062 CA ASP A 70 10.711 13.266 -11.619 1.00 0.00 C ATOM 1063 C ASP A 70 12.202 13.569 -11.839 1.00 0.00 C ATOM 1064 O ASP A 70 12.700 13.627 -12.965 1.00 0.00 O ATOM 1065 CB ASP A 70 10.004 12.768 -12.888 1.00 0.00 C ATOM 1066 CG ASP A 70 8.569 12.308 -12.610 1.00 0.00 C ATOM 1067 OD1 ASP A 70 8.413 11.168 -12.108 1.00 0.00 O ATOM 1068 OD2 ASP A 70 7.608 13.061 -12.900 1.00 0.00 O ATOM 0 H ASP A 70 9.481 14.950 -11.733 1.00 0.00 H new ATOM 0 HA ASP A 70 10.665 12.445 -10.904 1.00 0.00 H new ATOM 0 HB2 ASP A 70 9.990 13.566 -13.631 1.00 0.00 H new ATOM 0 HB3 ASP A 70 10.571 11.942 -13.317 1.00 0.00 H new ATOM 1073 N VAL A 71 12.909 13.802 -10.732 1.00 0.00 N ATOM 1074 CA VAL A 71 14.338 14.136 -10.689 1.00 0.00 C ATOM 1075 C VAL A 71 15.103 13.308 -9.640 1.00 0.00 C ATOM 1076 O VAL A 71 14.524 12.775 -8.691 1.00 0.00 O ATOM 1077 CB VAL A 71 14.561 15.655 -10.513 1.00 0.00 C ATOM 1078 CG1 VAL A 71 13.988 16.475 -11.686 1.00 0.00 C ATOM 1079 CG2 VAL A 71 13.986 16.203 -9.203 1.00 0.00 C ATOM 0 H VAL A 71 12.488 13.762 -9.804 1.00 0.00 H new ATOM 0 HA VAL A 71 14.758 13.861 -11.657 1.00 0.00 H new ATOM 0 HB VAL A 71 15.645 15.769 -10.489 1.00 0.00 H new ATOM 0 HG11 VAL A 71 14.171 17.535 -11.512 1.00 0.00 H new ATOM 0 HG12 VAL A 71 14.472 16.170 -12.614 1.00 0.00 H new ATOM 0 HG13 VAL A 71 12.915 16.300 -11.762 1.00 0.00 H new ATOM 0 HG21 VAL A 71 14.177 17.274 -9.142 1.00 0.00 H new ATOM 0 HG22 VAL A 71 12.911 16.023 -9.174 1.00 0.00 H new ATOM 0 HG23 VAL A 71 14.460 15.702 -8.359 1.00 0.00 H new ATOM 1089 N LEU A 72 16.419 13.201 -9.825 1.00 0.00 N ATOM 1090 CA LEU A 72 17.388 12.501 -8.976 1.00 0.00 C ATOM 1091 C LEU A 72 18.113 13.496 -8.082 1.00 0.00 C ATOM 1092 O LEU A 72 18.677 14.466 -8.581 1.00 0.00 O ATOM 1093 CB LEU A 72 18.423 11.782 -9.855 1.00 0.00 C ATOM 1094 CG LEU A 72 17.821 10.666 -10.710 1.00 0.00 C ATOM 1095 CD1 LEU A 72 18.866 10.133 -11.688 1.00 0.00 C ATOM 1096 CD2 LEU A 72 17.324 9.516 -9.844 1.00 0.00 C ATOM 0 H LEU A 72 16.871 13.633 -10.631 1.00 0.00 H new ATOM 0 HA LEU A 72 16.854 11.777 -8.361 1.00 0.00 H new ATOM 0 HB2 LEU A 72 18.904 12.511 -10.508 1.00 0.00 H new ATOM 0 HB3 LEU A 72 19.201 11.362 -9.218 1.00 0.00 H new ATOM 0 HG LEU A 72 16.977 11.086 -11.257 1.00 0.00 H new ATOM 0 HD11 LEU A 72 18.427 9.339 -12.292 1.00 0.00 H new ATOM 0 HD12 LEU A 72 19.201 10.941 -12.339 1.00 0.00 H new ATOM 0 HD13 LEU A 72 19.717 9.738 -11.132 1.00 0.00 H new ATOM 0 HD21 LEU A 72 16.901 8.738 -10.480 1.00 0.00 H new ATOM 0 HD22 LEU A 72 18.156 9.105 -9.272 1.00 0.00 H new ATOM 0 HD23 LEU A 72 16.558 9.881 -9.159 1.00 0.00 H new ATOM 1108 N GLN A 73 18.107 13.245 -6.776 1.00 0.00 N ATOM 1109 CA GLN A 73 18.580 14.198 -5.763 1.00 0.00 C ATOM 1110 C GLN A 73 19.902 13.771 -5.105 1.00 0.00 C ATOM 1111 O GLN A 73 19.938 12.807 -4.342 1.00 0.00 O ATOM 1112 CB GLN A 73 17.475 14.407 -4.712 1.00 0.00 C ATOM 1113 CG GLN A 73 16.280 15.186 -5.285 1.00 0.00 C ATOM 1114 CD GLN A 73 15.310 15.672 -4.208 1.00 0.00 C ATOM 1115 OE1 GLN A 73 15.092 15.045 -3.177 1.00 0.00 O ATOM 1116 NE2 GLN A 73 14.690 16.815 -4.402 1.00 0.00 N ATOM 0 H GLN A 73 17.771 12.366 -6.382 1.00 0.00 H new ATOM 0 HA GLN A 73 18.795 15.141 -6.266 1.00 0.00 H new ATOM 0 HB2 GLN A 73 17.135 13.439 -4.345 1.00 0.00 H new ATOM 0 HB3 GLN A 73 17.884 14.946 -3.857 1.00 0.00 H new ATOM 0 HG2 GLN A 73 16.649 16.044 -5.847 1.00 0.00 H new ATOM 0 HG3 GLN A 73 15.743 14.550 -5.989 1.00 0.00 H new ATOM 0 HE21 GLN A 73 14.860 17.349 -5.254 1.00 0.00 H new ATOM 0 HE22 GLN A 73 14.039 17.168 -3.700 1.00 0.00 H new ATOM 1125 N GLY A 74 20.989 14.483 -5.406 1.00 0.00 N ATOM 1126 CA GLY A 74 22.286 14.380 -4.712 1.00 0.00 C ATOM 1127 C GLY A 74 22.327 15.434 -3.602 1.00 0.00 C ATOM 1128 O GLY A 74 21.737 16.495 -3.794 1.00 0.00 O ATOM 0 H GLY A 74 20.998 15.169 -6.161 1.00 0.00 H new ATOM 0 HA2 GLY A 74 22.413 13.382 -4.292 1.00 0.00 H new ATOM 0 HA3 GLY A 74 23.105 14.537 -5.414 1.00 0.00 H new ATOM 1132 N ARG A 75 22.980 15.198 -2.454 1.00 0.00 N ATOM 1133 CA ARG A 75 22.870 16.084 -1.269 1.00 0.00 C ATOM 1134 C ARG A 75 24.092 16.036 -0.332 1.00 0.00 C ATOM 1135 O ARG A 75 24.547 14.958 0.044 1.00 0.00 O ATOM 1136 CB ARG A 75 21.595 15.707 -0.489 1.00 0.00 C ATOM 1137 CG ARG A 75 21.207 16.781 0.539 1.00 0.00 C ATOM 1138 CD ARG A 75 19.985 16.314 1.335 1.00 0.00 C ATOM 1139 NE ARG A 75 19.547 17.324 2.323 1.00 0.00 N ATOM 1140 CZ ARG A 75 20.055 17.565 3.521 1.00 0.00 C ATOM 1141 NH1 ARG A 75 21.086 16.913 3.984 1.00 0.00 N ATOM 1142 NH2 ARG A 75 19.534 18.481 4.286 1.00 0.00 N ATOM 0 H ARG A 75 23.596 14.397 -2.314 1.00 0.00 H new ATOM 0 HA ARG A 75 22.823 17.108 -1.639 1.00 0.00 H new ATOM 0 HB2 ARG A 75 20.772 15.562 -1.189 1.00 0.00 H new ATOM 0 HB3 ARG A 75 21.751 14.757 0.022 1.00 0.00 H new ATOM 0 HG2 ARG A 75 22.042 16.971 1.214 1.00 0.00 H new ATOM 0 HG3 ARG A 75 20.986 17.720 0.032 1.00 0.00 H new ATOM 0 HD2 ARG A 75 19.166 16.099 0.649 1.00 0.00 H new ATOM 0 HD3 ARG A 75 20.222 15.383 1.850 1.00 0.00 H new ATOM 0 HE ARG A 75 18.756 17.906 2.047 1.00 0.00 H new ATOM 0 HH11 ARG A 75 21.528 16.190 3.417 1.00 0.00 H new ATOM 0 HH12 ARG A 75 21.450 17.127 4.913 1.00 0.00 H new ATOM 0 HH21 ARG A 75 18.729 19.018 3.963 1.00 0.00 H new ATOM 0 HH22 ARG A 75 19.931 18.661 5.208 1.00 0.00 H new ATOM 1156 N ALA A 76 24.583 17.211 0.068 1.00 0.00 N ATOM 1157 CA ALA A 76 25.776 17.389 0.910 1.00 0.00 C ATOM 1158 C ALA A 76 25.655 18.559 1.917 1.00 0.00 C ATOM 1159 O ALA A 76 24.706 19.339 1.858 1.00 0.00 O ATOM 1160 CB ALA A 76 26.964 17.575 -0.041 1.00 0.00 C ATOM 0 H ALA A 76 24.149 18.097 -0.192 1.00 0.00 H new ATOM 0 HA ALA A 76 25.909 16.510 1.541 1.00 0.00 H new ATOM 0 HB1 ALA A 76 27.877 17.712 0.539 1.00 0.00 H new ATOM 0 HB2 ALA A 76 27.065 16.693 -0.674 1.00 0.00 H new ATOM 0 HB3 ALA A 76 26.796 18.453 -0.665 1.00 0.00 H new ATOM 1166 N THR A 77 26.646 18.704 2.810 1.00 0.00 N ATOM 1167 CA THR A 77 26.743 19.780 3.823 1.00 0.00 C ATOM 1168 C THR A 77 28.203 20.202 4.016 1.00 0.00 C ATOM 1169 O THR A 77 29.049 19.390 4.399 1.00 0.00 O ATOM 1170 CB THR A 77 26.144 19.329 5.171 1.00 0.00 C ATOM 1171 OG1 THR A 77 24.746 19.478 5.123 1.00 0.00 O ATOM 1172 CG2 THR A 77 26.596 20.127 6.400 1.00 0.00 C ATOM 0 H THR A 77 27.432 18.055 2.853 1.00 0.00 H new ATOM 0 HA THR A 77 26.170 20.633 3.460 1.00 0.00 H new ATOM 0 HB THR A 77 26.491 18.303 5.290 1.00 0.00 H new ATOM 0 HG1 THR A 77 24.520 20.431 5.082 1.00 0.00 H new ATOM 0 HG21 THR A 77 26.115 19.726 7.292 1.00 0.00 H new ATOM 0 HG22 THR A 77 27.678 20.050 6.506 1.00 0.00 H new ATOM 0 HG23 THR A 77 26.317 21.173 6.277 1.00 0.00 H new ATOM 1180 N GLY A 78 28.489 21.472 3.739 1.00 0.00 N ATOM 1181 CA GLY A 78 29.813 22.082 3.826 1.00 0.00 C ATOM 1182 C GLY A 78 30.251 22.513 5.232 1.00 0.00 C ATOM 1183 O GLY A 78 29.489 22.469 6.200 1.00 0.00 O ATOM 0 H GLY A 78 27.773 22.132 3.435 1.00 0.00 H new ATOM 0 HA2 GLY A 78 30.546 21.375 3.437 1.00 0.00 H new ATOM 0 HA3 GLY A 78 29.835 22.955 3.174 1.00 0.00 H new ATOM 1187 N GLU A 79 31.494 22.975 5.326 1.00 0.00 N ATOM 1188 CA GLU A 79 32.211 23.342 6.551 1.00 0.00 C ATOM 1189 C GLU A 79 31.673 24.591 7.284 1.00 0.00 C ATOM 1190 O GLU A 79 32.071 24.817 8.431 1.00 0.00 O ATOM 1191 CB GLU A 79 33.708 23.516 6.233 1.00 0.00 C ATOM 1192 CG GLU A 79 34.390 22.190 5.865 1.00 0.00 C ATOM 1193 CD GLU A 79 35.910 22.379 5.711 1.00 0.00 C ATOM 1194 OE1 GLU A 79 36.377 22.796 4.623 1.00 0.00 O ATOM 1195 OE2 GLU A 79 36.660 22.102 6.682 1.00 0.00 O ATOM 0 H GLU A 79 32.069 23.114 4.495 1.00 0.00 H new ATOM 0 HA GLU A 79 32.046 22.519 7.247 1.00 0.00 H new ATOM 0 HB2 GLU A 79 33.821 24.220 5.409 1.00 0.00 H new ATOM 0 HB3 GLU A 79 34.211 23.952 7.096 1.00 0.00 H new ATOM 0 HG2 GLU A 79 34.188 21.446 6.636 1.00 0.00 H new ATOM 0 HG3 GLU A 79 33.971 21.807 4.935 1.00 0.00 H new ATOM 1202 N GLU A 80 30.752 25.377 6.699 1.00 0.00 N ATOM 1203 CA GLU A 80 30.050 26.438 7.450 1.00 0.00 C ATOM 1204 C GLU A 80 28.661 26.010 7.963 1.00 0.00 C ATOM 1205 O GLU A 80 27.926 26.809 8.549 1.00 0.00 O ATOM 1206 CB GLU A 80 29.937 27.680 6.585 1.00 0.00 C ATOM 1207 CG GLU A 80 31.294 28.134 6.048 1.00 0.00 C ATOM 1208 CD GLU A 80 32.311 28.513 7.147 1.00 0.00 C ATOM 1209 OE1 GLU A 80 31.948 29.248 8.099 1.00 0.00 O ATOM 1210 OE2 GLU A 80 33.495 28.108 7.047 1.00 0.00 O ATOM 0 H GLU A 80 30.477 25.301 5.720 1.00 0.00 H new ATOM 0 HA GLU A 80 30.646 26.649 8.338 1.00 0.00 H new ATOM 0 HB2 GLU A 80 29.266 27.479 5.750 1.00 0.00 H new ATOM 0 HB3 GLU A 80 29.490 28.486 7.166 1.00 0.00 H new ATOM 0 HG2 GLU A 80 31.716 27.337 5.436 1.00 0.00 H new ATOM 0 HG3 GLU A 80 31.145 28.993 5.394 1.00 0.00 H new ATOM 1217 N GLY A 81 28.301 24.743 7.744 1.00 0.00 N ATOM 1218 CA GLY A 81 27.078 24.112 8.264 1.00 0.00 C ATOM 1219 C GLY A 81 25.879 24.183 7.311 1.00 0.00 C ATOM 1220 O GLY A 81 24.729 24.146 7.751 1.00 0.00 O ATOM 0 H GLY A 81 28.867 24.106 7.184 1.00 0.00 H new ATOM 0 HA2 GLY A 81 27.289 23.066 8.487 1.00 0.00 H new ATOM 0 HA3 GLY A 81 26.808 24.590 9.206 1.00 0.00 H new ATOM 1224 N GLU A 82 26.140 24.335 6.010 1.00 0.00 N ATOM 1225 CA GLU A 82 25.137 24.589 4.967 1.00 0.00 C ATOM 1226 C GLU A 82 24.516 23.317 4.352 1.00 0.00 C ATOM 1227 O GLU A 82 24.580 22.223 4.921 1.00 0.00 O ATOM 1228 CB GLU A 82 25.775 25.550 3.946 1.00 0.00 C ATOM 1229 CG GLU A 82 26.981 25.009 3.160 1.00 0.00 C ATOM 1230 CD GLU A 82 26.533 24.114 1.997 1.00 0.00 C ATOM 1231 OE1 GLU A 82 25.904 24.650 1.057 1.00 0.00 O ATOM 1232 OE2 GLU A 82 26.752 22.882 2.075 1.00 0.00 O ATOM 0 H GLU A 82 27.089 24.283 5.639 1.00 0.00 H new ATOM 0 HA GLU A 82 24.260 25.060 5.411 1.00 0.00 H new ATOM 0 HB2 GLU A 82 25.008 25.849 3.232 1.00 0.00 H new ATOM 0 HB3 GLU A 82 26.087 26.451 4.474 1.00 0.00 H new ATOM 0 HG2 GLU A 82 27.570 25.842 2.775 1.00 0.00 H new ATOM 0 HG3 GLU A 82 27.629 24.443 3.829 1.00 0.00 H new ATOM 1239 N THR A 83 23.849 23.441 3.203 1.00 0.00 N ATOM 1240 CA THR A 83 23.334 22.304 2.437 1.00 0.00 C ATOM 1241 C THR A 83 23.366 22.572 0.927 1.00 0.00 C ATOM 1242 O THR A 83 22.717 23.493 0.422 1.00 0.00 O ATOM 1243 CB THR A 83 21.929 21.935 2.936 1.00 0.00 C ATOM 1244 OG1 THR A 83 22.053 21.305 4.192 1.00 0.00 O ATOM 1245 CG2 THR A 83 21.163 20.976 2.029 1.00 0.00 C ATOM 0 H THR A 83 23.649 24.344 2.773 1.00 0.00 H new ATOM 0 HA THR A 83 23.987 21.447 2.601 1.00 0.00 H new ATOM 0 HB THR A 83 21.369 22.869 2.968 1.00 0.00 H new ATOM 0 HG1 THR A 83 22.949 21.470 4.554 1.00 0.00 H new ATOM 0 HG21 THR A 83 20.183 20.772 2.460 1.00 0.00 H new ATOM 0 HG22 THR A 83 21.040 21.427 1.044 1.00 0.00 H new ATOM 0 HG23 THR A 83 21.719 20.043 1.934 1.00 0.00 H new ATOM 1253 N VAL A 84 24.082 21.701 0.213 1.00 0.00 N ATOM 1254 CA VAL A 84 24.105 21.603 -1.257 1.00 0.00 C ATOM 1255 C VAL A 84 23.168 20.494 -1.705 1.00 0.00 C ATOM 1256 O VAL A 84 23.162 19.409 -1.127 1.00 0.00 O ATOM 1257 CB VAL A 84 25.528 21.371 -1.807 1.00 0.00 C ATOM 1258 CG1 VAL A 84 25.563 21.021 -3.305 1.00 0.00 C ATOM 1259 CG2 VAL A 84 26.360 22.639 -1.636 1.00 0.00 C ATOM 0 H VAL A 84 24.689 21.013 0.658 1.00 0.00 H new ATOM 0 HA VAL A 84 23.766 22.556 -1.663 1.00 0.00 H new ATOM 0 HB VAL A 84 25.924 20.528 -1.242 1.00 0.00 H new ATOM 0 HG11 VAL A 84 26.596 20.872 -3.620 1.00 0.00 H new ATOM 0 HG12 VAL A 84 24.995 20.107 -3.478 1.00 0.00 H new ATOM 0 HG13 VAL A 84 25.122 21.836 -3.879 1.00 0.00 H new ATOM 0 HG21 VAL A 84 27.364 22.471 -2.026 1.00 0.00 H new ATOM 0 HG22 VAL A 84 25.891 23.458 -2.182 1.00 0.00 H new ATOM 0 HG23 VAL A 84 26.420 22.895 -0.578 1.00 0.00 H new ATOM 1269 N LEU A 85 22.435 20.740 -2.787 1.00 0.00 N ATOM 1270 CA LEU A 85 21.615 19.759 -3.488 1.00 0.00 C ATOM 1271 C LEU A 85 21.955 19.792 -4.993 1.00 0.00 C ATOM 1272 O LEU A 85 22.271 20.850 -5.538 1.00 0.00 O ATOM 1273 CB LEU A 85 20.138 20.065 -3.163 1.00 0.00 C ATOM 1274 CG LEU A 85 19.121 19.017 -3.655 1.00 0.00 C ATOM 1275 CD1 LEU A 85 18.998 17.838 -2.693 1.00 0.00 C ATOM 1276 CD2 LEU A 85 17.736 19.642 -3.759 1.00 0.00 C ATOM 0 H LEU A 85 22.395 21.665 -3.216 1.00 0.00 H new ATOM 0 HA LEU A 85 21.815 18.738 -3.163 1.00 0.00 H new ATOM 0 HB2 LEU A 85 20.035 20.167 -2.083 1.00 0.00 H new ATOM 0 HB3 LEU A 85 19.880 21.030 -3.600 1.00 0.00 H new ATOM 0 HG LEU A 85 19.483 18.668 -4.622 1.00 0.00 H new ATOM 0 HD11 LEU A 85 18.270 17.126 -3.082 1.00 0.00 H new ATOM 0 HD12 LEU A 85 19.967 17.348 -2.592 1.00 0.00 H new ATOM 0 HD13 LEU A 85 18.669 18.197 -1.718 1.00 0.00 H new ATOM 0 HD21 LEU A 85 17.024 18.894 -4.107 1.00 0.00 H new ATOM 0 HD22 LEU A 85 17.427 20.008 -2.780 1.00 0.00 H new ATOM 0 HD23 LEU A 85 17.764 20.473 -4.464 1.00 0.00 H new ATOM 1288 N VAL A 86 21.882 18.648 -5.672 1.00 0.00 N ATOM 1289 CA VAL A 86 21.994 18.525 -7.142 1.00 0.00 C ATOM 1290 C VAL A 86 20.768 17.787 -7.653 1.00 0.00 C ATOM 1291 O VAL A 86 20.380 16.780 -7.063 1.00 0.00 O ATOM 1292 CB VAL A 86 23.285 17.812 -7.604 1.00 0.00 C ATOM 1293 CG1 VAL A 86 23.398 17.798 -9.131 1.00 0.00 C ATOM 1294 CG2 VAL A 86 24.539 18.476 -7.024 1.00 0.00 C ATOM 0 H VAL A 86 21.739 17.750 -5.210 1.00 0.00 H new ATOM 0 HA VAL A 86 22.049 19.531 -7.559 1.00 0.00 H new ATOM 0 HB VAL A 86 23.220 16.789 -7.234 1.00 0.00 H new ATOM 0 HG11 VAL A 86 24.317 17.289 -9.423 1.00 0.00 H new ATOM 0 HG12 VAL A 86 22.542 17.273 -9.554 1.00 0.00 H new ATOM 0 HG13 VAL A 86 23.416 18.822 -9.504 1.00 0.00 H new ATOM 0 HG21 VAL A 86 25.425 17.946 -7.372 1.00 0.00 H new ATOM 0 HG22 VAL A 86 24.585 19.515 -7.352 1.00 0.00 H new ATOM 0 HG23 VAL A 86 24.499 18.440 -5.935 1.00 0.00 H new ATOM 1304 N GLU A 87 20.157 18.278 -8.731 1.00 0.00 N ATOM 1305 CA GLU A 87 18.925 17.732 -9.300 1.00 0.00 C ATOM 1306 C GLU A 87 19.037 17.568 -10.826 1.00 0.00 C ATOM 1307 O GLU A 87 19.462 18.475 -11.541 1.00 0.00 O ATOM 1308 CB GLU A 87 17.704 18.566 -8.859 1.00 0.00 C ATOM 1309 CG GLU A 87 17.610 18.662 -7.325 1.00 0.00 C ATOM 1310 CD GLU A 87 16.236 19.161 -6.844 1.00 0.00 C ATOM 1311 OE1 GLU A 87 15.321 18.319 -6.673 1.00 0.00 O ATOM 1312 OE2 GLU A 87 16.082 20.380 -6.597 1.00 0.00 O ATOM 0 H GLU A 87 20.513 19.084 -9.244 1.00 0.00 H new ATOM 0 HA GLU A 87 18.771 16.728 -8.906 1.00 0.00 H new ATOM 0 HB2 GLU A 87 17.774 19.567 -9.284 1.00 0.00 H new ATOM 0 HB3 GLU A 87 16.793 18.115 -9.253 1.00 0.00 H new ATOM 0 HG2 GLU A 87 17.808 17.682 -6.891 1.00 0.00 H new ATOM 0 HG3 GLU A 87 18.385 19.335 -6.959 1.00 0.00 H new ATOM 1319 N GLU A 88 18.661 16.390 -11.325 1.00 0.00 N ATOM 1320 CA GLU A 88 18.643 16.064 -12.758 1.00 0.00 C ATOM 1321 C GLU A 88 17.530 15.062 -13.118 1.00 0.00 C ATOM 1322 O GLU A 88 17.115 14.308 -12.241 1.00 0.00 O ATOM 1323 CB GLU A 88 20.034 15.574 -13.180 1.00 0.00 C ATOM 1324 CG GLU A 88 20.612 14.431 -12.346 1.00 0.00 C ATOM 1325 CD GLU A 88 21.947 13.981 -12.957 1.00 0.00 C ATOM 1326 OE1 GLU A 88 22.926 14.761 -12.927 1.00 0.00 O ATOM 1327 OE2 GLU A 88 22.045 12.844 -13.476 1.00 0.00 O ATOM 0 H GLU A 88 18.353 15.617 -10.735 1.00 0.00 H new ATOM 0 HA GLU A 88 18.406 16.967 -13.321 1.00 0.00 H new ATOM 0 HB2 GLU A 88 19.986 15.253 -14.221 1.00 0.00 H new ATOM 0 HB3 GLU A 88 20.725 16.416 -13.138 1.00 0.00 H new ATOM 0 HG2 GLU A 88 20.761 14.756 -11.316 1.00 0.00 H new ATOM 0 HG3 GLU A 88 19.912 13.596 -12.318 1.00 0.00 H new ATOM 1334 N PRO A 89 16.998 15.046 -14.354 1.00 0.00 N ATOM 1335 CA PRO A 89 15.805 14.264 -14.698 1.00 0.00 C ATOM 1336 C PRO A 89 15.988 12.744 -14.534 1.00 0.00 C ATOM 1337 O PRO A 89 17.000 12.167 -14.949 1.00 0.00 O ATOM 1338 CB PRO A 89 15.436 14.663 -16.130 1.00 0.00 C ATOM 1339 CG PRO A 89 16.754 15.176 -16.709 1.00 0.00 C ATOM 1340 CD PRO A 89 17.424 15.831 -15.504 1.00 0.00 C ATOM 0 HA PRO A 89 14.997 14.491 -14.003 1.00 0.00 H new ATOM 0 HB2 PRO A 89 15.052 13.815 -16.697 1.00 0.00 H new ATOM 0 HB3 PRO A 89 14.664 15.433 -16.146 1.00 0.00 H new ATOM 0 HG2 PRO A 89 17.359 14.366 -17.117 1.00 0.00 H new ATOM 0 HG3 PRO A 89 16.590 15.889 -17.517 1.00 0.00 H new ATOM 0 HD2 PRO A 89 18.509 15.824 -15.605 1.00 0.00 H new ATOM 0 HD3 PRO A 89 17.120 16.873 -15.403 1.00 0.00 H new ATOM 1348 N ARG A 90 14.970 12.106 -13.939 1.00 0.00 N ATOM 1349 CA ARG A 90 14.863 10.666 -13.653 1.00 0.00 C ATOM 1350 C ARG A 90 14.310 9.873 -14.847 1.00 0.00 C ATOM 1351 O ARG A 90 13.237 10.238 -15.384 1.00 0.00 O ATOM 1352 CB ARG A 90 14.017 10.496 -12.376 1.00 0.00 C ATOM 1353 CG ARG A 90 13.790 9.043 -11.945 1.00 0.00 C ATOM 1354 CD ARG A 90 13.034 9.013 -10.609 1.00 0.00 C ATOM 1355 NE ARG A 90 11.618 9.432 -10.715 1.00 0.00 N ATOM 1356 CZ ARG A 90 10.778 9.558 -9.702 1.00 0.00 C ATOM 1357 NH1 ARG A 90 11.133 9.301 -8.475 1.00 0.00 N ATOM 1358 NH2 ARG A 90 9.554 9.952 -9.888 1.00 0.00 N ATOM 1359 OXT ARG A 90 14.957 8.875 -15.243 1.00 0.00 O ATOM 0 H ARG A 90 14.144 12.615 -13.623 1.00 0.00 H new ATOM 0 HA ARG A 90 15.855 10.248 -13.483 1.00 0.00 H new ATOM 0 HB2 ARG A 90 14.504 11.030 -11.560 1.00 0.00 H new ATOM 0 HB3 ARG A 90 13.048 10.969 -12.533 1.00 0.00 H new ATOM 0 HG2 ARG A 90 13.221 8.512 -12.708 1.00 0.00 H new ATOM 0 HG3 ARG A 90 14.746 8.529 -11.845 1.00 0.00 H new ATOM 0 HD2 ARG A 90 13.075 8.003 -10.202 1.00 0.00 H new ATOM 0 HD3 ARG A 90 13.544 9.664 -9.899 1.00 0.00 H new ATOM 0 HE ARG A 90 11.261 9.641 -11.647 1.00 0.00 H new ATOM 0 HH11 ARG A 90 12.084 8.992 -8.273 1.00 0.00 H new ATOM 0 HH12 ARG A 90 10.460 9.409 -7.716 1.00 0.00 H new ATOM 0 HH21 ARG A 90 9.226 10.170 -10.829 1.00 0.00 H new ATOM 0 HH22 ARG A 90 8.921 10.043 -9.093 1.00 0.00 H new