USER MOD reduce.3.24.130724 H: found=0, std=0, add=579, rem=0, adj=9 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 35 SER OG : rot 180:sc= 0.256 USER MOD Set 1.2: A 58 GLN : amide:sc= 0.27 X(o=0.53,f=0.29) USER MOD Single : A 24 SER OG : rot 72:sc= 0.715 USER MOD Single : A 28 SER OG : rot -27:sc= 0.332 USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 GLN : amide:sc= -0.0586 K(o=-0.059,f=-0.89) USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD Single : A 65 THR OG1 : rot 180:sc= 0 USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 GLN : amide:sc= 1.23 K(o=1.2,f=-0.013) USER MOD Single : A 77 THR OG1 : rot 180:sc= 0 USER MOD Single : A 83 THR OG1 : rot 13:sc= 0.799 USER MOD ----------------------------------------------------------------- ATOM 170 N GLU A 13 23.917 7.242 -6.770 1.00 0.00 N ATOM 171 CA GLU A 13 25.261 7.421 -6.194 1.00 0.00 C ATOM 172 C GLU A 13 26.030 8.565 -6.884 1.00 0.00 C ATOM 173 O GLU A 13 26.603 9.417 -6.209 1.00 0.00 O ATOM 174 CB GLU A 13 26.021 6.085 -6.270 1.00 0.00 C ATOM 175 CG GLU A 13 27.324 6.054 -5.461 1.00 0.00 C ATOM 176 CD GLU A 13 27.048 5.921 -3.950 1.00 0.00 C ATOM 177 OE1 GLU A 13 26.876 6.953 -3.258 1.00 0.00 O ATOM 178 OE2 GLU A 13 26.991 4.773 -3.444 1.00 0.00 O ATOM 0 HA GLU A 13 25.166 7.713 -5.148 1.00 0.00 H new ATOM 0 HB2 GLU A 13 25.368 5.288 -5.915 1.00 0.00 H new ATOM 0 HB3 GLU A 13 26.250 5.869 -7.314 1.00 0.00 H new ATOM 0 HG2 GLU A 13 27.941 5.219 -5.794 1.00 0.00 H new ATOM 0 HG3 GLU A 13 27.892 6.965 -5.649 1.00 0.00 H new ATOM 185 N ARG A 14 26.004 8.627 -8.226 1.00 0.00 N ATOM 186 CA ARG A 14 26.811 9.596 -9.003 1.00 0.00 C ATOM 187 C ARG A 14 26.524 11.046 -8.607 1.00 0.00 C ATOM 188 O ARG A 14 27.461 11.833 -8.500 1.00 0.00 O ATOM 189 CB ARG A 14 26.708 9.402 -10.532 1.00 0.00 C ATOM 190 CG ARG A 14 25.318 9.634 -11.161 1.00 0.00 C ATOM 191 CD ARG A 14 25.384 10.253 -12.562 1.00 0.00 C ATOM 192 NE ARG A 14 25.780 11.680 -12.535 1.00 0.00 N ATOM 193 CZ ARG A 14 26.048 12.439 -13.581 1.00 0.00 C ATOM 194 NH1 ARG A 14 25.983 12.037 -14.816 1.00 0.00 N ATOM 195 NH2 ARG A 14 26.423 13.665 -13.427 1.00 0.00 N ATOM 0 H ARG A 14 25.429 8.014 -8.804 1.00 0.00 H new ATOM 0 HA ARG A 14 27.845 9.379 -8.736 1.00 0.00 H new ATOM 0 HB2 ARG A 14 27.417 10.078 -11.011 1.00 0.00 H new ATOM 0 HB3 ARG A 14 27.025 8.387 -10.770 1.00 0.00 H new ATOM 0 HG2 ARG A 14 24.788 8.683 -11.216 1.00 0.00 H new ATOM 0 HG3 ARG A 14 24.736 10.286 -10.510 1.00 0.00 H new ATOM 0 HD2 ARG A 14 26.095 9.694 -13.169 1.00 0.00 H new ATOM 0 HD3 ARG A 14 24.411 10.159 -13.043 1.00 0.00 H new ATOM 0 HE ARG A 14 25.853 12.120 -11.617 1.00 0.00 H new ATOM 0 HH11 ARG A 14 25.710 11.077 -15.026 1.00 0.00 H new ATOM 0 HH12 ARG A 14 26.205 12.682 -15.575 1.00 0.00 H new ATOM 0 HH21 ARG A 14 26.515 14.056 -12.490 1.00 0.00 H new ATOM 0 HH22 ARG A 14 26.627 14.242 -14.243 1.00 0.00 H new ATOM 209 N VAL A 15 25.253 11.340 -8.306 1.00 0.00 N ATOM 210 CA VAL A 15 24.780 12.658 -7.853 1.00 0.00 C ATOM 211 C VAL A 15 25.282 13.024 -6.460 1.00 0.00 C ATOM 212 O VAL A 15 25.412 14.208 -6.165 1.00 0.00 O ATOM 213 CB VAL A 15 23.255 12.844 -7.981 1.00 0.00 C ATOM 214 CG1 VAL A 15 22.810 12.831 -9.444 1.00 0.00 C ATOM 215 CG2 VAL A 15 22.434 11.795 -7.231 1.00 0.00 C ATOM 0 H VAL A 15 24.504 10.651 -8.372 1.00 0.00 H new ATOM 0 HA VAL A 15 25.230 13.368 -8.547 1.00 0.00 H new ATOM 0 HB VAL A 15 23.063 13.815 -7.525 1.00 0.00 H new ATOM 0 HG11 VAL A 15 21.730 12.965 -9.497 1.00 0.00 H new ATOM 0 HG12 VAL A 15 23.303 13.641 -9.981 1.00 0.00 H new ATOM 0 HG13 VAL A 15 23.080 11.878 -9.898 1.00 0.00 H new ATOM 0 HG21 VAL A 15 21.372 11.996 -7.371 1.00 0.00 H new ATOM 0 HG22 VAL A 15 22.670 10.804 -7.618 1.00 0.00 H new ATOM 0 HG23 VAL A 15 22.674 11.836 -6.169 1.00 0.00 H new ATOM 225 N ASP A 16 25.633 12.052 -5.615 1.00 0.00 N ATOM 226 CA ASP A 16 26.176 12.354 -4.283 1.00 0.00 C ATOM 227 C ASP A 16 27.586 12.978 -4.358 1.00 0.00 C ATOM 228 O ASP A 16 27.859 13.984 -3.703 1.00 0.00 O ATOM 229 CB ASP A 16 26.167 11.077 -3.433 1.00 0.00 C ATOM 230 CG ASP A 16 26.573 11.349 -1.976 1.00 0.00 C ATOM 231 OD1 ASP A 16 25.674 11.638 -1.150 1.00 0.00 O ATOM 232 OD2 ASP A 16 27.779 11.235 -1.646 1.00 0.00 O ATOM 0 H ASP A 16 25.553 11.057 -5.824 1.00 0.00 H new ATOM 0 HA ASP A 16 25.540 13.102 -3.810 1.00 0.00 H new ATOM 0 HB2 ASP A 16 25.171 10.635 -3.455 1.00 0.00 H new ATOM 0 HB3 ASP A 16 26.849 10.347 -3.869 1.00 0.00 H new ATOM 237 N LEU A 17 28.469 12.433 -5.205 1.00 0.00 N ATOM 238 CA LEU A 17 29.895 12.795 -5.208 1.00 0.00 C ATOM 239 C LEU A 17 30.109 14.208 -5.759 1.00 0.00 C ATOM 240 O LEU A 17 30.883 14.998 -5.222 1.00 0.00 O ATOM 241 CB LEU A 17 30.695 11.761 -6.028 1.00 0.00 C ATOM 242 CG LEU A 17 31.038 10.412 -5.361 1.00 0.00 C ATOM 243 CD1 LEU A 17 31.832 10.586 -4.064 1.00 0.00 C ATOM 244 CD2 LEU A 17 29.817 9.542 -5.073 1.00 0.00 C ATOM 0 H LEU A 17 28.219 11.733 -5.904 1.00 0.00 H new ATOM 0 HA LEU A 17 30.255 12.788 -4.179 1.00 0.00 H new ATOM 0 HB2 LEU A 17 30.133 11.550 -6.938 1.00 0.00 H new ATOM 0 HB3 LEU A 17 31.631 12.229 -6.333 1.00 0.00 H new ATOM 0 HG LEU A 17 31.654 9.900 -6.100 1.00 0.00 H new ATOM 0 HD11 LEU A 17 32.047 9.607 -3.635 1.00 0.00 H new ATOM 0 HD12 LEU A 17 32.768 11.103 -4.277 1.00 0.00 H new ATOM 0 HD13 LEU A 17 31.247 11.172 -3.355 1.00 0.00 H new ATOM 0 HD21 LEU A 17 30.136 8.611 -4.605 1.00 0.00 H new ATOM 0 HD22 LEU A 17 29.142 10.073 -4.402 1.00 0.00 H new ATOM 0 HD23 LEU A 17 29.300 9.320 -6.007 1.00 0.00 H new ATOM 256 N GLU A 18 29.354 14.534 -6.800 1.00 0.00 N ATOM 257 CA GLU A 18 29.292 15.867 -7.399 1.00 0.00 C ATOM 258 C GLU A 18 28.596 16.893 -6.491 1.00 0.00 C ATOM 259 O GLU A 18 29.015 18.048 -6.445 1.00 0.00 O ATOM 260 CB GLU A 18 28.694 15.762 -8.804 1.00 0.00 C ATOM 261 CG GLU A 18 27.339 15.038 -8.890 1.00 0.00 C ATOM 262 CD GLU A 18 27.059 14.550 -10.336 1.00 0.00 C ATOM 263 OE1 GLU A 18 27.801 14.914 -11.278 1.00 0.00 O ATOM 264 OE2 GLU A 18 26.095 13.800 -10.596 1.00 0.00 O ATOM 0 H GLU A 18 28.748 13.860 -7.267 1.00 0.00 H new ATOM 0 HA GLU A 18 30.303 16.261 -7.503 1.00 0.00 H new ATOM 0 HB2 GLU A 18 28.576 16.768 -9.207 1.00 0.00 H new ATOM 0 HB3 GLU A 18 29.406 15.243 -9.446 1.00 0.00 H new ATOM 0 HG2 GLU A 18 27.333 14.188 -8.208 1.00 0.00 H new ATOM 0 HG3 GLU A 18 26.543 15.710 -8.569 1.00 0.00 H new ATOM 271 N ALA A 19 27.627 16.481 -5.668 1.00 0.00 N ATOM 272 CA ALA A 19 27.067 17.342 -4.627 1.00 0.00 C ATOM 273 C ALA A 19 28.086 17.641 -3.508 1.00 0.00 C ATOM 274 O ALA A 19 28.187 18.784 -3.072 1.00 0.00 O ATOM 275 CB ALA A 19 25.779 16.695 -4.109 1.00 0.00 C ATOM 0 H ALA A 19 27.213 15.550 -5.705 1.00 0.00 H new ATOM 0 HA ALA A 19 26.825 18.318 -5.047 1.00 0.00 H new ATOM 0 HB1 ALA A 19 25.344 17.322 -3.330 1.00 0.00 H new ATOM 0 HB2 ALA A 19 25.069 16.591 -4.929 1.00 0.00 H new ATOM 0 HB3 ALA A 19 26.006 15.711 -3.698 1.00 0.00 H new ATOM 281 N VAL A 20 28.908 16.664 -3.098 1.00 0.00 N ATOM 282 CA VAL A 20 30.024 16.877 -2.144 1.00 0.00 C ATOM 283 C VAL A 20 31.123 17.754 -2.755 1.00 0.00 C ATOM 284 O VAL A 20 31.638 18.661 -2.094 1.00 0.00 O ATOM 285 CB VAL A 20 30.578 15.529 -1.637 1.00 0.00 C ATOM 286 CG1 VAL A 20 31.848 15.681 -0.787 1.00 0.00 C ATOM 287 CG2 VAL A 20 29.541 14.810 -0.765 1.00 0.00 C ATOM 0 H VAL A 20 28.823 15.698 -3.415 1.00 0.00 H new ATOM 0 HA VAL A 20 29.632 17.416 -1.281 1.00 0.00 H new ATOM 0 HB VAL A 20 30.814 14.959 -2.535 1.00 0.00 H new ATOM 0 HG11 VAL A 20 32.188 14.698 -0.461 1.00 0.00 H new ATOM 0 HG12 VAL A 20 32.629 16.156 -1.381 1.00 0.00 H new ATOM 0 HG13 VAL A 20 31.630 16.297 0.085 1.00 0.00 H new ATOM 0 HG21 VAL A 20 29.952 13.862 -0.418 1.00 0.00 H new ATOM 0 HG22 VAL A 20 29.292 15.434 0.094 1.00 0.00 H new ATOM 0 HG23 VAL A 20 28.641 14.623 -1.350 1.00 0.00 H new ATOM 297 N ARG A 21 31.433 17.562 -4.043 1.00 0.00 N ATOM 298 CA ARG A 21 32.340 18.444 -4.792 1.00 0.00 C ATOM 299 C ARG A 21 31.844 19.889 -4.767 1.00 0.00 C ATOM 300 O ARG A 21 32.623 20.771 -4.439 1.00 0.00 O ATOM 301 CB ARG A 21 32.524 17.888 -6.214 1.00 0.00 C ATOM 302 CG ARG A 21 33.529 18.664 -7.079 1.00 0.00 C ATOM 303 CD ARG A 21 34.929 18.828 -6.467 1.00 0.00 C ATOM 304 NE ARG A 21 35.554 17.527 -6.144 1.00 0.00 N ATOM 305 CZ ARG A 21 36.673 17.335 -5.465 1.00 0.00 C ATOM 306 NH1 ARG A 21 37.382 18.327 -5.004 1.00 0.00 N ATOM 307 NH2 ARG A 21 37.104 16.128 -5.236 1.00 0.00 N ATOM 0 H ARG A 21 31.062 16.790 -4.597 1.00 0.00 H new ATOM 0 HA ARG A 21 33.320 18.463 -4.316 1.00 0.00 H new ATOM 0 HB2 ARG A 21 32.850 16.850 -6.145 1.00 0.00 H new ATOM 0 HB3 ARG A 21 31.557 17.886 -6.717 1.00 0.00 H new ATOM 0 HG2 ARG A 21 33.627 18.156 -8.038 1.00 0.00 H new ATOM 0 HG3 ARG A 21 33.121 19.654 -7.283 1.00 0.00 H new ATOM 0 HD2 ARG A 21 35.567 19.372 -7.164 1.00 0.00 H new ATOM 0 HD3 ARG A 21 34.859 19.430 -5.561 1.00 0.00 H new ATOM 0 HE ARG A 21 35.073 16.692 -6.479 1.00 0.00 H new ATOM 0 HH11 ARG A 21 37.079 19.288 -5.163 1.00 0.00 H new ATOM 0 HH12 ARG A 21 38.240 18.142 -4.484 1.00 0.00 H new ATOM 0 HH21 ARG A 21 36.578 15.325 -5.581 1.00 0.00 H new ATOM 0 HH22 ARG A 21 37.967 15.986 -4.712 1.00 0.00 H new ATOM 321 N LEU A 22 30.554 20.139 -4.985 1.00 0.00 N ATOM 322 CA LEU A 22 29.973 21.475 -4.882 1.00 0.00 C ATOM 323 C LEU A 22 29.877 21.978 -3.454 1.00 0.00 C ATOM 324 O LEU A 22 30.159 23.149 -3.277 1.00 0.00 O ATOM 325 CB LEU A 22 28.633 21.601 -5.602 1.00 0.00 C ATOM 326 CG LEU A 22 28.836 22.044 -7.060 1.00 0.00 C ATOM 327 CD1 LEU A 22 29.357 20.937 -7.975 1.00 0.00 C ATOM 328 CD2 LEU A 22 27.507 22.538 -7.589 1.00 0.00 C ATOM 0 H LEU A 22 29.880 19.417 -5.239 1.00 0.00 H new ATOM 0 HA LEU A 22 30.678 22.125 -5.400 1.00 0.00 H new ATOM 0 HB2 LEU A 22 28.110 20.645 -5.577 1.00 0.00 H new ATOM 0 HB3 LEU A 22 28.002 22.322 -5.082 1.00 0.00 H new ATOM 0 HG LEU A 22 29.597 22.824 -7.060 1.00 0.00 H new ATOM 0 HD11 LEU A 22 29.475 21.326 -8.986 1.00 0.00 H new ATOM 0 HD12 LEU A 22 30.321 20.585 -7.607 1.00 0.00 H new ATOM 0 HD13 LEU A 22 28.648 20.109 -7.985 1.00 0.00 H new ATOM 0 HD21 LEU A 22 27.624 22.859 -8.624 1.00 0.00 H new ATOM 0 HD22 LEU A 22 26.774 21.733 -7.539 1.00 0.00 H new ATOM 0 HD23 LEU A 22 27.165 23.378 -6.985 1.00 0.00 H new ATOM 340 N ALA A 23 29.593 21.165 -2.437 1.00 0.00 N ATOM 341 CA ALA A 23 29.729 21.637 -1.056 1.00 0.00 C ATOM 342 C ALA A 23 31.150 22.191 -0.831 1.00 0.00 C ATOM 343 O ALA A 23 31.314 23.278 -0.285 1.00 0.00 O ATOM 344 CB ALA A 23 29.387 20.499 -0.097 1.00 0.00 C ATOM 0 H ALA A 23 29.275 20.201 -2.536 1.00 0.00 H new ATOM 0 HA ALA A 23 29.032 22.452 -0.862 1.00 0.00 H new ATOM 0 HB1 ALA A 23 29.487 20.847 0.931 1.00 0.00 H new ATOM 0 HB2 ALA A 23 28.362 20.172 -0.271 1.00 0.00 H new ATOM 0 HB3 ALA A 23 30.067 19.664 -0.265 1.00 0.00 H new ATOM 350 N SER A 24 32.157 21.517 -1.401 1.00 0.00 N ATOM 351 CA SER A 24 33.547 21.988 -1.410 1.00 0.00 C ATOM 352 C SER A 24 33.746 23.291 -2.214 1.00 0.00 C ATOM 353 O SER A 24 34.463 24.167 -1.729 1.00 0.00 O ATOM 354 CB SER A 24 34.516 20.892 -1.888 1.00 0.00 C ATOM 355 OG SER A 24 34.246 19.633 -1.280 1.00 0.00 O ATOM 0 H SER A 24 32.028 20.622 -1.873 1.00 0.00 H new ATOM 0 HA SER A 24 33.784 22.226 -0.373 1.00 0.00 H new ATOM 0 HB2 SER A 24 34.444 20.793 -2.971 1.00 0.00 H new ATOM 0 HB3 SER A 24 35.540 21.191 -1.662 1.00 0.00 H new ATOM 0 HG SER A 24 33.415 19.264 -1.646 1.00 0.00 H new ATOM 361 N ILE A 25 33.103 23.480 -3.386 1.00 0.00 N ATOM 362 CA ILE A 25 33.272 24.749 -4.125 1.00 0.00 C ATOM 363 C ILE A 25 32.475 25.897 -3.470 1.00 0.00 C ATOM 364 O ILE A 25 32.866 27.063 -3.531 1.00 0.00 O ATOM 365 CB ILE A 25 32.930 24.643 -5.614 1.00 0.00 C ATOM 366 CG1 ILE A 25 33.250 23.301 -6.297 1.00 0.00 C ATOM 367 CG2 ILE A 25 33.658 25.765 -6.373 1.00 0.00 C ATOM 368 CD1 ILE A 25 34.654 22.712 -6.132 1.00 0.00 C ATOM 0 H ILE A 25 32.485 22.799 -3.828 1.00 0.00 H new ATOM 0 HA ILE A 25 34.336 24.978 -4.065 1.00 0.00 H new ATOM 0 HB ILE A 25 31.844 24.731 -5.656 1.00 0.00 H new ATOM 0 HG12 ILE A 25 32.536 22.564 -5.929 1.00 0.00 H new ATOM 0 HG13 ILE A 25 33.064 23.420 -7.364 1.00 0.00 H new ATOM 0 HG21 ILE A 25 33.421 25.699 -7.435 1.00 0.00 H new ATOM 0 HG22 ILE A 25 33.335 26.733 -5.989 1.00 0.00 H new ATOM 0 HG23 ILE A 25 34.734 25.660 -6.234 1.00 0.00 H new ATOM 0 HD11 ILE A 25 34.718 21.767 -6.672 1.00 0.00 H new ATOM 0 HD12 ILE A 25 35.390 23.409 -6.532 1.00 0.00 H new ATOM 0 HD13 ILE A 25 34.854 22.540 -5.075 1.00 0.00 H new ATOM 380 N VAL A 26 31.366 25.579 -2.796 1.00 0.00 N ATOM 381 CA VAL A 26 30.626 26.521 -1.955 1.00 0.00 C ATOM 382 C VAL A 26 31.503 26.926 -0.773 1.00 0.00 C ATOM 383 O VAL A 26 31.696 28.115 -0.578 1.00 0.00 O ATOM 384 CB VAL A 26 29.284 25.934 -1.486 1.00 0.00 C ATOM 385 CG1 VAL A 26 28.564 26.889 -0.525 1.00 0.00 C ATOM 386 CG2 VAL A 26 28.332 25.665 -2.665 1.00 0.00 C ATOM 0 H VAL A 26 30.952 24.647 -2.820 1.00 0.00 H new ATOM 0 HA VAL A 26 30.384 27.406 -2.543 1.00 0.00 H new ATOM 0 HB VAL A 26 29.527 24.998 -0.984 1.00 0.00 H new ATOM 0 HG11 VAL A 26 27.619 26.446 -0.212 1.00 0.00 H new ATOM 0 HG12 VAL A 26 29.190 27.065 0.350 1.00 0.00 H new ATOM 0 HG13 VAL A 26 28.371 27.836 -1.030 1.00 0.00 H new ATOM 0 HG21 VAL A 26 27.396 25.251 -2.290 1.00 0.00 H new ATOM 0 HG22 VAL A 26 28.131 26.599 -3.191 1.00 0.00 H new ATOM 0 HG23 VAL A 26 28.794 24.955 -3.351 1.00 0.00 H new ATOM 396 N ASP A 27 32.123 25.998 -0.042 1.00 0.00 N ATOM 397 CA ASP A 27 33.070 26.325 1.030 1.00 0.00 C ATOM 398 C ASP A 27 34.243 27.193 0.556 1.00 0.00 C ATOM 399 O ASP A 27 34.574 28.171 1.229 1.00 0.00 O ATOM 400 CB ASP A 27 33.587 25.055 1.711 1.00 0.00 C ATOM 401 CG ASP A 27 32.485 24.197 2.346 1.00 0.00 C ATOM 402 OD1 ASP A 27 31.458 24.756 2.807 1.00 0.00 O ATOM 403 OD2 ASP A 27 32.703 22.967 2.485 1.00 0.00 O ATOM 0 H ASP A 27 31.984 24.996 -0.175 1.00 0.00 H new ATOM 0 HA ASP A 27 32.513 26.918 1.755 1.00 0.00 H new ATOM 0 HB2 ASP A 27 34.124 24.454 0.977 1.00 0.00 H new ATOM 0 HB3 ASP A 27 34.306 25.335 2.482 1.00 0.00 H new ATOM 408 N SER A 28 34.829 26.910 -0.617 1.00 0.00 N ATOM 409 CA SER A 28 35.920 27.756 -1.138 1.00 0.00 C ATOM 410 C SER A 28 35.446 29.183 -1.467 1.00 0.00 C ATOM 411 O SER A 28 36.233 30.126 -1.389 1.00 0.00 O ATOM 412 CB SER A 28 36.659 27.104 -2.310 1.00 0.00 C ATOM 413 OG SER A 28 35.887 27.080 -3.494 1.00 0.00 O ATOM 0 H SER A 28 34.576 26.122 -1.213 1.00 0.00 H new ATOM 0 HA SER A 28 36.647 27.849 -0.332 1.00 0.00 H new ATOM 0 HB2 SER A 28 37.586 27.646 -2.496 1.00 0.00 H new ATOM 0 HB3 SER A 28 36.934 26.085 -2.039 1.00 0.00 H new ATOM 0 HG SER A 28 34.935 27.077 -3.263 1.00 0.00 H new ATOM 419 N ARG A 29 34.142 29.366 -1.720 1.00 0.00 N ATOM 420 CA ARG A 29 33.447 30.661 -1.849 1.00 0.00 C ATOM 421 C ARG A 29 33.023 31.263 -0.501 1.00 0.00 C ATOM 422 O ARG A 29 33.128 32.477 -0.337 1.00 0.00 O ATOM 423 CB ARG A 29 32.263 30.462 -2.809 1.00 0.00 C ATOM 424 CG ARG A 29 31.512 31.745 -3.165 1.00 0.00 C ATOM 425 CD ARG A 29 32.302 32.713 -4.044 1.00 0.00 C ATOM 426 NE ARG A 29 31.409 33.781 -4.545 1.00 0.00 N ATOM 427 CZ ARG A 29 31.641 34.592 -5.563 1.00 0.00 C ATOM 428 NH1 ARG A 29 32.792 34.616 -6.173 1.00 0.00 N ATOM 429 NH2 ARG A 29 30.723 35.408 -5.991 1.00 0.00 N ATOM 0 H ARG A 29 33.509 28.576 -1.847 1.00 0.00 H new ATOM 0 HA ARG A 29 34.137 31.399 -2.258 1.00 0.00 H new ATOM 0 HB2 ARG A 29 32.630 30.004 -3.728 1.00 0.00 H new ATOM 0 HB3 ARG A 29 31.562 29.759 -2.360 1.00 0.00 H new ATOM 0 HG2 ARG A 29 30.587 31.480 -3.677 1.00 0.00 H new ATOM 0 HG3 ARG A 29 31.232 32.256 -2.244 1.00 0.00 H new ATOM 0 HD2 ARG A 29 33.122 33.150 -3.473 1.00 0.00 H new ATOM 0 HD3 ARG A 29 32.747 32.176 -4.882 1.00 0.00 H new ATOM 0 HE ARG A 29 30.523 33.904 -4.055 1.00 0.00 H new ATOM 0 HH11 ARG A 29 33.544 33.998 -5.868 1.00 0.00 H new ATOM 0 HH12 ARG A 29 32.941 35.253 -6.956 1.00 0.00 H new ATOM 0 HH21 ARG A 29 29.808 35.428 -5.540 1.00 0.00 H new ATOM 0 HH22 ARG A 29 30.918 36.027 -6.778 1.00 0.00 H new ATOM 443 N LEU A 30 32.625 30.472 0.501 1.00 0.00 N ATOM 444 CA LEU A 30 32.362 30.969 1.864 1.00 0.00 C ATOM 445 C LEU A 30 33.646 31.515 2.521 1.00 0.00 C ATOM 446 O LEU A 30 33.620 32.568 3.155 1.00 0.00 O ATOM 447 CB LEU A 30 31.708 29.886 2.745 1.00 0.00 C ATOM 448 CG LEU A 30 30.350 29.338 2.265 1.00 0.00 C ATOM 449 CD1 LEU A 30 29.786 28.301 3.248 1.00 0.00 C ATOM 450 CD2 LEU A 30 29.297 30.435 2.072 1.00 0.00 C ATOM 0 H LEU A 30 32.475 29.469 0.394 1.00 0.00 H new ATOM 0 HA LEU A 30 31.656 31.794 1.776 1.00 0.00 H new ATOM 0 HB2 LEU A 30 32.402 29.050 2.830 1.00 0.00 H new ATOM 0 HB3 LEU A 30 31.576 30.295 3.747 1.00 0.00 H new ATOM 0 HG LEU A 30 30.552 28.875 1.299 1.00 0.00 H new ATOM 0 HD11 LEU A 30 28.828 27.934 2.880 1.00 0.00 H new ATOM 0 HD12 LEU A 30 30.483 27.468 3.338 1.00 0.00 H new ATOM 0 HD13 LEU A 30 29.646 28.764 4.225 1.00 0.00 H new ATOM 0 HD21 LEU A 30 28.363 29.987 1.733 1.00 0.00 H new ATOM 0 HD22 LEU A 30 29.131 30.950 3.018 1.00 0.00 H new ATOM 0 HD23 LEU A 30 29.648 31.149 1.327 1.00 0.00 H new ATOM 462 N ILE A 31 34.784 30.854 2.293 1.00 0.00 N ATOM 463 CA ILE A 31 36.124 31.346 2.663 1.00 0.00 C ATOM 464 C ILE A 31 36.559 32.509 1.740 1.00 0.00 C ATOM 465 O ILE A 31 37.200 33.462 2.188 1.00 0.00 O ATOM 466 CB ILE A 31 37.120 30.156 2.635 1.00 0.00 C ATOM 467 CG1 ILE A 31 36.726 29.086 3.686 1.00 0.00 C ATOM 468 CG2 ILE A 31 38.567 30.621 2.885 1.00 0.00 C ATOM 469 CD1 ILE A 31 37.447 27.741 3.509 1.00 0.00 C ATOM 0 H ILE A 31 34.805 29.942 1.837 1.00 0.00 H new ATOM 0 HA ILE A 31 36.107 31.753 3.674 1.00 0.00 H new ATOM 0 HB ILE A 31 37.069 29.716 1.639 1.00 0.00 H new ATOM 0 HG12 ILE A 31 36.941 29.473 4.682 1.00 0.00 H new ATOM 0 HG13 ILE A 31 35.650 28.919 3.634 1.00 0.00 H new ATOM 0 HG21 ILE A 31 39.235 29.760 2.858 1.00 0.00 H new ATOM 0 HG22 ILE A 31 38.859 31.332 2.112 1.00 0.00 H new ATOM 0 HG23 ILE A 31 38.632 31.100 3.862 1.00 0.00 H new ATOM 0 HD11 ILE A 31 37.117 27.047 4.282 1.00 0.00 H new ATOM 0 HD12 ILE A 31 37.213 27.329 2.527 1.00 0.00 H new ATOM 0 HD13 ILE A 31 38.523 27.892 3.592 1.00 0.00 H new ATOM 481 N GLY A 32 36.182 32.450 0.456 1.00 0.00 N ATOM 482 CA GLY A 32 36.631 33.351 -0.608 1.00 0.00 C ATOM 483 C GLY A 32 36.031 34.748 -0.546 1.00 0.00 C ATOM 484 O GLY A 32 36.709 35.742 -0.816 1.00 0.00 O ATOM 0 H GLY A 32 35.529 31.743 0.119 1.00 0.00 H new ATOM 0 HA2 GLY A 32 37.717 33.433 -0.563 1.00 0.00 H new ATOM 0 HA3 GLY A 32 36.385 32.906 -1.572 1.00 0.00 H new ATOM 488 N THR A 33 34.749 34.816 -0.185 1.00 0.00 N ATOM 489 CA THR A 33 33.998 36.074 -0.016 1.00 0.00 C ATOM 490 C THR A 33 32.837 36.001 0.995 1.00 0.00 C ATOM 491 O THR A 33 32.509 37.020 1.609 1.00 0.00 O ATOM 492 CB THR A 33 33.499 36.549 -1.391 1.00 0.00 C ATOM 493 OG1 THR A 33 32.988 37.862 -1.334 1.00 0.00 O ATOM 494 CG2 THR A 33 32.410 35.634 -1.951 1.00 0.00 C ATOM 0 H THR A 33 34.187 33.986 0.003 1.00 0.00 H new ATOM 0 HA THR A 33 34.692 36.796 0.414 1.00 0.00 H new ATOM 0 HB THR A 33 34.368 36.522 -2.049 1.00 0.00 H new ATOM 0 HG1 THR A 33 32.681 38.133 -2.225 1.00 0.00 H new ATOM 0 HG21 THR A 33 32.086 36.006 -2.923 1.00 0.00 H new ATOM 0 HG22 THR A 33 32.805 34.624 -2.062 1.00 0.00 H new ATOM 0 HG23 THR A 33 31.561 35.618 -1.268 1.00 0.00 H new ATOM 502 N GLY A 34 32.228 34.824 1.229 1.00 0.00 N ATOM 503 CA GLY A 34 31.199 34.634 2.271 1.00 0.00 C ATOM 504 C GLY A 34 29.754 34.462 1.796 1.00 0.00 C ATOM 505 O GLY A 34 28.845 34.389 2.622 1.00 0.00 O ATOM 0 H GLY A 34 32.435 33.976 0.701 1.00 0.00 H new ATOM 0 HA2 GLY A 34 31.469 33.757 2.858 1.00 0.00 H new ATOM 0 HA3 GLY A 34 31.235 35.491 2.943 1.00 0.00 H new ATOM 509 N SER A 35 29.536 34.360 0.484 1.00 0.00 N ATOM 510 CA SER A 35 28.260 33.987 -0.144 1.00 0.00 C ATOM 511 C SER A 35 28.504 33.523 -1.585 1.00 0.00 C ATOM 512 O SER A 35 29.446 33.972 -2.241 1.00 0.00 O ATOM 513 CB SER A 35 27.282 35.166 -0.152 1.00 0.00 C ATOM 514 OG SER A 35 25.997 34.712 -0.544 1.00 0.00 O ATOM 0 H SER A 35 30.270 34.541 -0.200 1.00 0.00 H new ATOM 0 HA SER A 35 27.823 33.176 0.439 1.00 0.00 H new ATOM 0 HB2 SER A 35 27.233 35.618 0.839 1.00 0.00 H new ATOM 0 HB3 SER A 35 27.632 35.938 -0.838 1.00 0.00 H new ATOM 0 HG SER A 35 25.371 35.466 -0.548 1.00 0.00 H new ATOM 520 N VAL A 36 27.665 32.618 -2.085 1.00 0.00 N ATOM 521 CA VAL A 36 27.739 32.015 -3.429 1.00 0.00 C ATOM 522 C VAL A 36 26.515 32.397 -4.265 1.00 0.00 C ATOM 523 O VAL A 36 25.413 32.567 -3.738 1.00 0.00 O ATOM 524 CB VAL A 36 27.930 30.491 -3.300 1.00 0.00 C ATOM 525 CG1 VAL A 36 26.695 29.766 -2.756 1.00 0.00 C ATOM 526 CG2 VAL A 36 28.314 29.855 -4.636 1.00 0.00 C ATOM 0 H VAL A 36 26.876 32.264 -1.545 1.00 0.00 H new ATOM 0 HA VAL A 36 28.604 32.408 -3.964 1.00 0.00 H new ATOM 0 HB VAL A 36 28.740 30.372 -2.581 1.00 0.00 H new ATOM 0 HG11 VAL A 36 26.900 28.697 -2.691 1.00 0.00 H new ATOM 0 HG12 VAL A 36 26.455 30.150 -1.765 1.00 0.00 H new ATOM 0 HG13 VAL A 36 25.851 29.934 -3.425 1.00 0.00 H new ATOM 0 HG21 VAL A 36 28.440 28.780 -4.505 1.00 0.00 H new ATOM 0 HG22 VAL A 36 27.527 30.041 -5.367 1.00 0.00 H new ATOM 0 HG23 VAL A 36 29.249 30.289 -4.990 1.00 0.00 H new ATOM 536 N ASP A 37 26.711 32.535 -5.575 1.00 0.00 N ATOM 537 CA ASP A 37 25.720 33.021 -6.536 1.00 0.00 C ATOM 538 C ASP A 37 25.555 32.018 -7.686 1.00 0.00 C ATOM 539 O ASP A 37 26.458 31.221 -7.954 1.00 0.00 O ATOM 540 CB ASP A 37 26.152 34.397 -7.079 1.00 0.00 C ATOM 541 CG ASP A 37 26.724 35.340 -6.001 1.00 0.00 C ATOM 542 OD1 ASP A 37 27.955 35.307 -5.745 1.00 0.00 O ATOM 543 OD2 ASP A 37 25.942 36.137 -5.427 1.00 0.00 O ATOM 0 H ASP A 37 27.601 32.302 -6.015 1.00 0.00 H new ATOM 0 HA ASP A 37 24.759 33.126 -6.033 1.00 0.00 H new ATOM 0 HB2 ASP A 37 26.902 34.251 -7.856 1.00 0.00 H new ATOM 0 HB3 ASP A 37 25.294 34.877 -7.550 1.00 0.00 H new ATOM 548 N GLU A 38 24.428 32.074 -8.402 1.00 0.00 N ATOM 549 CA GLU A 38 24.125 31.128 -9.490 1.00 0.00 C ATOM 550 C GLU A 38 25.236 31.079 -10.550 1.00 0.00 C ATOM 551 O GLU A 38 25.601 30.001 -11.019 1.00 0.00 O ATOM 552 CB GLU A 38 22.791 31.511 -10.152 1.00 0.00 C ATOM 553 CG GLU A 38 22.134 30.308 -10.840 1.00 0.00 C ATOM 554 CD GLU A 38 21.187 30.737 -11.974 1.00 0.00 C ATOM 555 OE1 GLU A 38 20.236 31.519 -11.735 1.00 0.00 O ATOM 556 OE2 GLU A 38 21.433 30.317 -13.133 1.00 0.00 O ATOM 0 H GLU A 38 23.700 32.772 -8.248 1.00 0.00 H new ATOM 0 HA GLU A 38 24.054 30.134 -9.048 1.00 0.00 H new ATOM 0 HB2 GLU A 38 22.114 31.915 -9.399 1.00 0.00 H new ATOM 0 HB3 GLU A 38 22.961 32.301 -10.884 1.00 0.00 H new ATOM 0 HG2 GLU A 38 22.908 29.654 -11.242 1.00 0.00 H new ATOM 0 HG3 GLU A 38 21.578 29.729 -10.103 1.00 0.00 H new ATOM 563 N ASP A 39 25.834 32.232 -10.877 1.00 0.00 N ATOM 564 CA ASP A 39 26.912 32.337 -11.862 1.00 0.00 C ATOM 565 C ASP A 39 28.236 31.700 -11.402 1.00 0.00 C ATOM 566 O ASP A 39 29.051 31.321 -12.246 1.00 0.00 O ATOM 567 CB ASP A 39 27.107 33.814 -12.223 1.00 0.00 C ATOM 568 CG ASP A 39 28.039 33.991 -13.436 1.00 0.00 C ATOM 569 OD1 ASP A 39 27.697 33.481 -14.532 1.00 0.00 O ATOM 570 OD2 ASP A 39 29.080 34.679 -13.304 1.00 0.00 O ATOM 0 H ASP A 39 25.578 33.127 -10.459 1.00 0.00 H new ATOM 0 HA ASP A 39 26.612 31.766 -12.741 1.00 0.00 H new ATOM 0 HB2 ASP A 39 26.139 34.265 -12.440 1.00 0.00 H new ATOM 0 HB3 ASP A 39 27.521 34.345 -11.366 1.00 0.00 H new ATOM 575 N PHE A 40 28.448 31.528 -10.087 1.00 0.00 N ATOM 576 CA PHE A 40 29.605 30.792 -9.572 1.00 0.00 C ATOM 577 C PHE A 40 29.390 29.270 -9.642 1.00 0.00 C ATOM 578 O PHE A 40 30.345 28.518 -9.850 1.00 0.00 O ATOM 579 CB PHE A 40 29.901 31.273 -8.143 1.00 0.00 C ATOM 580 CG PHE A 40 31.317 30.984 -7.682 1.00 0.00 C ATOM 581 CD1 PHE A 40 32.372 31.799 -8.135 1.00 0.00 C ATOM 582 CD2 PHE A 40 31.591 29.913 -6.810 1.00 0.00 C ATOM 583 CE1 PHE A 40 33.692 31.551 -7.718 1.00 0.00 C ATOM 584 CE2 PHE A 40 32.911 29.672 -6.387 1.00 0.00 C ATOM 585 CZ PHE A 40 33.961 30.488 -6.840 1.00 0.00 C ATOM 0 H PHE A 40 27.829 31.891 -9.362 1.00 0.00 H new ATOM 0 HA PHE A 40 30.473 30.996 -10.199 1.00 0.00 H new ATOM 0 HB2 PHE A 40 29.722 32.347 -8.086 1.00 0.00 H new ATOM 0 HB3 PHE A 40 29.201 30.797 -7.457 1.00 0.00 H new ATOM 0 HD1 PHE A 40 32.166 32.619 -8.807 1.00 0.00 H new ATOM 0 HD2 PHE A 40 30.789 29.277 -6.466 1.00 0.00 H new ATOM 0 HE1 PHE A 40 34.498 32.177 -8.072 1.00 0.00 H new ATOM 0 HE2 PHE A 40 33.118 28.856 -5.711 1.00 0.00 H new ATOM 0 HZ PHE A 40 34.973 30.298 -6.514 1.00 0.00 H new ATOM 595 N LEU A 41 28.139 28.802 -9.495 1.00 0.00 N ATOM 596 CA LEU A 41 27.773 27.376 -9.424 1.00 0.00 C ATOM 597 C LEU A 41 27.547 26.718 -10.787 1.00 0.00 C ATOM 598 O LEU A 41 27.920 25.557 -10.960 1.00 0.00 O ATOM 599 CB LEU A 41 26.527 27.237 -8.527 1.00 0.00 C ATOM 600 CG LEU A 41 26.819 27.539 -7.051 1.00 0.00 C ATOM 601 CD1 LEU A 41 25.511 27.609 -6.268 1.00 0.00 C ATOM 602 CD2 LEU A 41 27.708 26.471 -6.410 1.00 0.00 C ATOM 0 H LEU A 41 27.332 29.421 -9.420 1.00 0.00 H new ATOM 0 HA LEU A 41 28.621 26.840 -8.996 1.00 0.00 H new ATOM 0 HB2 LEU A 41 25.750 27.913 -8.885 1.00 0.00 H new ATOM 0 HB3 LEU A 41 26.133 26.224 -8.615 1.00 0.00 H new ATOM 0 HG LEU A 41 27.344 28.494 -7.017 1.00 0.00 H new ATOM 0 HD11 LEU A 41 25.725 27.824 -5.221 1.00 0.00 H new ATOM 0 HD12 LEU A 41 24.883 28.399 -6.679 1.00 0.00 H new ATOM 0 HD13 LEU A 41 24.990 26.655 -6.344 1.00 0.00 H new ATOM 0 HD21 LEU A 41 27.888 26.726 -5.366 1.00 0.00 H new ATOM 0 HD22 LEU A 41 27.211 25.502 -6.466 1.00 0.00 H new ATOM 0 HD23 LEU A 41 28.659 26.422 -6.941 1.00 0.00 H new ATOM 614 N ARG A 42 27.019 27.447 -11.779 1.00 0.00 N ATOM 615 CA ARG A 42 26.838 26.947 -13.161 1.00 0.00 C ATOM 616 C ARG A 42 28.141 26.492 -13.833 1.00 0.00 C ATOM 617 O ARG A 42 28.110 25.694 -14.763 1.00 0.00 O ATOM 618 CB ARG A 42 26.081 27.966 -14.014 1.00 0.00 C ATOM 619 CG ARG A 42 26.836 29.288 -14.175 1.00 0.00 C ATOM 620 CD ARG A 42 26.099 30.272 -15.083 1.00 0.00 C ATOM 621 NE ARG A 42 24.809 30.746 -14.528 1.00 0.00 N ATOM 622 CZ ARG A 42 24.305 31.965 -14.634 1.00 0.00 C ATOM 623 NH1 ARG A 42 25.007 32.994 -15.015 1.00 0.00 N ATOM 624 NH2 ARG A 42 23.056 32.185 -14.346 1.00 0.00 N ATOM 0 H ARG A 42 26.701 28.408 -11.651 1.00 0.00 H new ATOM 0 HA ARG A 42 26.231 26.045 -13.082 1.00 0.00 H new ATOM 0 HB2 ARG A 42 25.893 27.539 -14.999 1.00 0.00 H new ATOM 0 HB3 ARG A 42 25.109 28.161 -13.560 1.00 0.00 H new ATOM 0 HG2 ARG A 42 26.982 29.742 -13.195 1.00 0.00 H new ATOM 0 HG3 ARG A 42 27.826 29.090 -14.586 1.00 0.00 H new ATOM 0 HD2 ARG A 42 26.742 31.132 -15.269 1.00 0.00 H new ATOM 0 HD3 ARG A 42 25.917 29.796 -16.047 1.00 0.00 H new ATOM 0 HE ARG A 42 24.254 30.064 -14.012 1.00 0.00 H new ATOM 0 HH11 ARG A 42 25.993 32.880 -15.248 1.00 0.00 H new ATOM 0 HH12 ARG A 42 24.570 33.913 -15.080 1.00 0.00 H new ATOM 0 HH21 ARG A 42 22.461 31.416 -14.037 1.00 0.00 H new ATOM 0 HH22 ARG A 42 22.672 33.126 -14.429 1.00 0.00 H new ATOM 638 N GLU A 43 29.288 26.960 -13.341 1.00 0.00 N ATOM 639 CA GLU A 43 30.612 26.528 -13.815 1.00 0.00 C ATOM 640 C GLU A 43 31.075 25.186 -13.222 1.00 0.00 C ATOM 641 O GLU A 43 32.021 24.584 -13.735 1.00 0.00 O ATOM 642 CB GLU A 43 31.655 27.616 -13.514 1.00 0.00 C ATOM 643 CG GLU A 43 31.250 28.974 -14.090 1.00 0.00 C ATOM 644 CD GLU A 43 32.470 29.899 -14.266 1.00 0.00 C ATOM 645 OE1 GLU A 43 33.031 30.382 -13.252 1.00 0.00 O ATOM 646 OE2 GLU A 43 32.887 30.144 -15.426 1.00 0.00 O ATOM 0 H GLU A 43 29.330 27.655 -12.596 1.00 0.00 H new ATOM 0 HA GLU A 43 30.517 26.374 -14.890 1.00 0.00 H new ATOM 0 HB2 GLU A 43 31.786 27.704 -12.435 1.00 0.00 H new ATOM 0 HB3 GLU A 43 32.618 27.319 -13.929 1.00 0.00 H new ATOM 0 HG2 GLU A 43 30.759 28.830 -15.053 1.00 0.00 H new ATOM 0 HG3 GLU A 43 30.524 29.449 -13.430 1.00 0.00 H new ATOM 653 N GLN A 44 30.433 24.700 -12.150 1.00 0.00 N ATOM 654 CA GLN A 44 30.905 23.549 -11.361 1.00 0.00 C ATOM 655 C GLN A 44 30.160 22.248 -11.706 1.00 0.00 C ATOM 656 O GLN A 44 30.785 21.215 -11.911 1.00 0.00 O ATOM 657 CB GLN A 44 30.803 23.855 -9.852 1.00 0.00 C ATOM 658 CG GLN A 44 31.227 25.274 -9.436 1.00 0.00 C ATOM 659 CD GLN A 44 32.619 25.704 -9.903 1.00 0.00 C ATOM 660 OE1 GLN A 44 33.526 24.911 -10.122 1.00 0.00 O ATOM 661 NE2 GLN A 44 32.841 26.993 -10.034 1.00 0.00 N ATOM 0 H GLN A 44 29.561 25.098 -11.801 1.00 0.00 H new ATOM 0 HA GLN A 44 31.951 23.388 -11.623 1.00 0.00 H new ATOM 0 HB2 GLN A 44 29.773 23.694 -9.535 1.00 0.00 H new ATOM 0 HB3 GLN A 44 31.419 23.137 -9.311 1.00 0.00 H new ATOM 0 HG2 GLN A 44 30.496 25.983 -9.826 1.00 0.00 H new ATOM 0 HG3 GLN A 44 31.189 25.343 -8.349 1.00 0.00 H new ATOM 0 HE21 GLN A 44 32.091 27.661 -9.854 1.00 0.00 H new ATOM 0 HE22 GLN A 44 33.763 27.326 -10.316 1.00 0.00 H new ATOM 670 N ILE A 45 28.824 22.294 -11.837 1.00 0.00 N ATOM 671 CA ILE A 45 27.916 21.196 -12.263 1.00 0.00 C ATOM 672 C ILE A 45 28.386 20.277 -13.405 1.00 0.00 C ATOM 673 O ILE A 45 28.108 19.085 -13.416 1.00 0.00 O ATOM 674 CB ILE A 45 26.624 21.812 -12.840 1.00 0.00 C ATOM 675 CG1 ILE A 45 26.737 23.183 -13.544 1.00 0.00 C ATOM 676 CG2 ILE A 45 25.504 21.833 -11.797 1.00 0.00 C ATOM 677 CD1 ILE A 45 25.487 23.521 -14.370 1.00 0.00 C ATOM 0 H ILE A 45 28.308 23.151 -11.637 1.00 0.00 H new ATOM 0 HA ILE A 45 27.830 20.603 -11.353 1.00 0.00 H new ATOM 0 HB ILE A 45 26.381 21.130 -13.655 1.00 0.00 H new ATOM 0 HG12 ILE A 45 26.897 23.960 -12.797 1.00 0.00 H new ATOM 0 HG13 ILE A 45 27.611 23.183 -14.196 1.00 0.00 H new ATOM 0 HG21 ILE A 45 24.608 22.273 -12.234 1.00 0.00 H new ATOM 0 HG22 ILE A 45 25.288 20.814 -11.474 1.00 0.00 H new ATOM 0 HG23 ILE A 45 25.817 22.427 -10.938 1.00 0.00 H new ATOM 0 HD11 ILE A 45 25.616 24.494 -14.844 1.00 0.00 H new ATOM 0 HD12 ILE A 45 25.341 22.760 -15.137 1.00 0.00 H new ATOM 0 HD13 ILE A 45 24.615 23.549 -13.716 1.00 0.00 H new ATOM 735 N ARG A 49 22.355 18.529 -14.214 1.00 0.00 N ATOM 736 CA ARG A 49 21.362 19.480 -14.729 1.00 0.00 C ATOM 737 C ARG A 49 21.227 20.720 -13.855 1.00 0.00 C ATOM 738 O ARG A 49 21.453 21.828 -14.346 1.00 0.00 O ATOM 739 CB ARG A 49 20.008 18.774 -14.959 1.00 0.00 C ATOM 740 CG ARG A 49 19.516 18.846 -16.415 1.00 0.00 C ATOM 741 CD ARG A 49 20.487 18.285 -17.471 1.00 0.00 C ATOM 742 NE ARG A 49 21.076 16.981 -17.098 1.00 0.00 N ATOM 743 CZ ARG A 49 21.628 16.087 -17.894 1.00 0.00 C ATOM 744 NH1 ARG A 49 21.667 16.227 -19.190 1.00 0.00 N ATOM 745 NH2 ARG A 49 22.151 15.019 -17.373 1.00 0.00 N ATOM 0 HA ARG A 49 21.721 19.841 -15.693 1.00 0.00 H new ATOM 0 HB2 ARG A 49 20.099 17.728 -14.666 1.00 0.00 H new ATOM 0 HB3 ARG A 49 19.258 19.223 -14.308 1.00 0.00 H new ATOM 0 HG2 ARG A 49 18.573 18.304 -16.489 1.00 0.00 H new ATOM 0 HG3 ARG A 49 19.305 19.887 -16.658 1.00 0.00 H new ATOM 0 HD2 ARG A 49 19.959 18.178 -18.418 1.00 0.00 H new ATOM 0 HD3 ARG A 49 21.290 19.004 -17.633 1.00 0.00 H new ATOM 0 HE ARG A 49 21.052 16.745 -16.106 1.00 0.00 H new ATOM 0 HH11 ARG A 49 21.260 17.054 -19.626 1.00 0.00 H new ATOM 0 HH12 ARG A 49 22.105 15.509 -19.768 1.00 0.00 H new ATOM 0 HH21 ARG A 49 22.131 14.882 -16.362 1.00 0.00 H new ATOM 0 HH22 ARG A 49 22.582 14.317 -17.974 1.00 0.00 H new ATOM 759 N TYR A 50 20.882 20.550 -12.578 1.00 0.00 N ATOM 760 CA TYR A 50 20.535 21.668 -11.693 1.00 0.00 C ATOM 761 C TYR A 50 21.281 21.567 -10.352 1.00 0.00 C ATOM 762 O TYR A 50 21.217 20.528 -9.703 1.00 0.00 O ATOM 763 CB TYR A 50 19.001 21.665 -11.475 1.00 0.00 C ATOM 764 CG TYR A 50 18.147 21.249 -12.671 1.00 0.00 C ATOM 765 CD1 TYR A 50 18.291 21.904 -13.909 1.00 0.00 C ATOM 766 CD2 TYR A 50 17.206 20.207 -12.545 1.00 0.00 C ATOM 767 CE1 TYR A 50 17.504 21.530 -15.015 1.00 0.00 C ATOM 768 CE2 TYR A 50 16.417 19.824 -13.649 1.00 0.00 C ATOM 769 CZ TYR A 50 16.562 20.487 -14.885 1.00 0.00 C ATOM 770 OH TYR A 50 15.799 20.108 -15.946 1.00 0.00 O ATOM 0 H TYR A 50 20.835 19.636 -12.127 1.00 0.00 H new ATOM 0 HA TYR A 50 20.839 22.607 -12.157 1.00 0.00 H new ATOM 0 HB2 TYR A 50 18.775 20.996 -10.644 1.00 0.00 H new ATOM 0 HB3 TYR A 50 18.697 22.666 -11.170 1.00 0.00 H new ATOM 0 HD1 TYR A 50 19.012 22.701 -14.011 1.00 0.00 H new ATOM 0 HD2 TYR A 50 17.089 19.700 -11.599 1.00 0.00 H new ATOM 0 HE1 TYR A 50 17.621 22.040 -15.960 1.00 0.00 H new ATOM 0 HE2 TYR A 50 15.701 19.022 -13.548 1.00 0.00 H new ATOM 0 HH TYR A 50 15.206 19.375 -15.677 1.00 0.00 H new ATOM 780 N ALA A 51 21.986 22.617 -9.912 1.00 0.00 N ATOM 781 CA ALA A 51 22.539 22.700 -8.547 1.00 0.00 C ATOM 782 C ALA A 51 21.691 23.669 -7.702 1.00 0.00 C ATOM 783 O ALA A 51 21.162 24.643 -8.230 1.00 0.00 O ATOM 784 CB ALA A 51 24.023 23.085 -8.599 1.00 0.00 C ATOM 0 H ALA A 51 22.191 23.433 -10.488 1.00 0.00 H new ATOM 0 HA ALA A 51 22.489 21.725 -8.061 1.00 0.00 H new ATOM 0 HB1 ALA A 51 24.420 23.143 -7.585 1.00 0.00 H new ATOM 0 HB2 ALA A 51 24.575 22.332 -9.162 1.00 0.00 H new ATOM 0 HB3 ALA A 51 24.131 24.054 -9.087 1.00 0.00 H new ATOM 790 N VAL A 52 21.527 23.411 -6.404 1.00 0.00 N ATOM 791 CA VAL A 52 20.590 24.133 -5.525 1.00 0.00 C ATOM 792 C VAL A 52 21.219 24.383 -4.150 1.00 0.00 C ATOM 793 O VAL A 52 21.930 23.534 -3.610 1.00 0.00 O ATOM 794 CB VAL A 52 19.247 23.372 -5.424 1.00 0.00 C ATOM 795 CG1 VAL A 52 18.288 23.978 -4.389 1.00 0.00 C ATOM 796 CG2 VAL A 52 18.518 23.323 -6.773 1.00 0.00 C ATOM 0 H VAL A 52 22.049 22.681 -5.919 1.00 0.00 H new ATOM 0 HA VAL A 52 20.378 25.109 -5.961 1.00 0.00 H new ATOM 0 HB VAL A 52 19.520 22.366 -5.105 1.00 0.00 H new ATOM 0 HG11 VAL A 52 17.365 23.399 -4.366 1.00 0.00 H new ATOM 0 HG12 VAL A 52 18.755 23.956 -3.404 1.00 0.00 H new ATOM 0 HG13 VAL A 52 18.063 25.009 -4.661 1.00 0.00 H new ATOM 0 HG21 VAL A 52 17.580 22.780 -6.660 1.00 0.00 H new ATOM 0 HG22 VAL A 52 18.311 24.338 -7.112 1.00 0.00 H new ATOM 0 HG23 VAL A 52 19.144 22.816 -7.507 1.00 0.00 H new ATOM 806 N ILE A 53 20.953 25.563 -3.585 1.00 0.00 N ATOM 807 CA ILE A 53 21.573 26.084 -2.356 1.00 0.00 C ATOM 808 C ILE A 53 20.593 26.165 -1.193 1.00 0.00 C ATOM 809 O ILE A 53 19.573 26.838 -1.282 1.00 0.00 O ATOM 810 CB ILE A 53 22.232 27.453 -2.664 1.00 0.00 C ATOM 811 CG1 ILE A 53 23.670 27.245 -3.168 1.00 0.00 C ATOM 812 CG2 ILE A 53 22.215 28.501 -1.527 1.00 0.00 C ATOM 813 CD1 ILE A 53 24.638 26.755 -2.084 1.00 0.00 C ATOM 0 H ILE A 53 20.273 26.210 -3.984 1.00 0.00 H new ATOM 0 HA ILE A 53 22.342 25.384 -2.031 1.00 0.00 H new ATOM 0 HB ILE A 53 21.597 27.887 -3.436 1.00 0.00 H new ATOM 0 HG12 ILE A 53 23.658 26.524 -3.985 1.00 0.00 H new ATOM 0 HG13 ILE A 53 24.042 28.184 -3.577 1.00 0.00 H new ATOM 0 HG21 ILE A 53 22.705 29.414 -1.866 1.00 0.00 H new ATOM 0 HG22 ILE A 53 21.184 28.723 -1.253 1.00 0.00 H new ATOM 0 HG23 ILE A 53 22.744 28.106 -0.660 1.00 0.00 H new ATOM 0 HD11 ILE A 53 25.632 26.631 -2.513 1.00 0.00 H new ATOM 0 HD12 ILE A 53 24.680 27.486 -1.276 1.00 0.00 H new ATOM 0 HD13 ILE A 53 24.291 25.799 -1.691 1.00 0.00 H new ATOM 825 N ARG A 54 20.966 25.555 -0.065 1.00 0.00 N ATOM 826 CA ARG A 54 20.302 25.653 1.244 1.00 0.00 C ATOM 827 C ARG A 54 21.324 26.082 2.314 1.00 0.00 C ATOM 828 O ARG A 54 21.647 25.340 3.240 1.00 0.00 O ATOM 829 CB ARG A 54 19.641 24.309 1.598 1.00 0.00 C ATOM 830 CG ARG A 54 18.766 23.630 0.526 1.00 0.00 C ATOM 831 CD ARG A 54 17.514 24.405 0.102 1.00 0.00 C ATOM 832 NE ARG A 54 16.520 24.494 1.193 1.00 0.00 N ATOM 833 CZ ARG A 54 15.209 24.629 1.072 1.00 0.00 C ATOM 834 NH1 ARG A 54 14.623 24.720 -0.089 1.00 0.00 N ATOM 835 NH2 ARG A 54 14.451 24.674 2.129 1.00 0.00 N ATOM 0 H ARG A 54 21.783 24.946 -0.035 1.00 0.00 H new ATOM 0 HA ARG A 54 19.518 26.409 1.204 1.00 0.00 H new ATOM 0 HB2 ARG A 54 20.431 23.611 1.876 1.00 0.00 H new ATOM 0 HB3 ARG A 54 19.025 24.463 2.484 1.00 0.00 H new ATOM 0 HG2 ARG A 54 19.378 23.453 -0.358 1.00 0.00 H new ATOM 0 HG3 ARG A 54 18.457 22.654 0.900 1.00 0.00 H new ATOM 0 HD2 ARG A 54 17.799 25.409 -0.212 1.00 0.00 H new ATOM 0 HD3 ARG A 54 17.061 23.918 -0.762 1.00 0.00 H new ATOM 0 HE ARG A 54 16.885 24.446 2.144 1.00 0.00 H new ATOM 0 HH11 ARG A 54 15.178 24.688 -0.944 1.00 0.00 H new ATOM 0 HH12 ARG A 54 13.610 24.823 -0.142 1.00 0.00 H new ATOM 0 HH21 ARG A 54 14.867 24.605 3.058 1.00 0.00 H new ATOM 0 HH22 ARG A 54 13.441 24.778 2.028 1.00 0.00 H new ATOM 849 N ILE A 55 21.876 27.285 2.164 1.00 0.00 N ATOM 850 CA ILE A 55 22.705 27.931 3.207 1.00 0.00 C ATOM 851 C ILE A 55 21.775 28.554 4.275 1.00 0.00 C ATOM 852 O ILE A 55 20.912 29.355 3.905 1.00 0.00 O ATOM 853 CB ILE A 55 23.653 29.000 2.598 1.00 0.00 C ATOM 854 CG1 ILE A 55 24.719 28.365 1.678 1.00 0.00 C ATOM 855 CG2 ILE A 55 24.376 29.786 3.709 1.00 0.00 C ATOM 856 CD1 ILE A 55 25.365 29.349 0.701 1.00 0.00 C ATOM 0 H ILE A 55 21.767 27.848 1.320 1.00 0.00 H new ATOM 0 HA ILE A 55 23.339 27.177 3.675 1.00 0.00 H new ATOM 0 HB ILE A 55 23.028 29.671 2.009 1.00 0.00 H new ATOM 0 HG12 ILE A 55 25.498 27.919 2.296 1.00 0.00 H new ATOM 0 HG13 ILE A 55 24.259 27.556 1.111 1.00 0.00 H new ATOM 0 HG21 ILE A 55 25.035 30.529 3.259 1.00 0.00 H new ATOM 0 HG22 ILE A 55 23.640 30.287 4.338 1.00 0.00 H new ATOM 0 HG23 ILE A 55 24.965 29.099 4.316 1.00 0.00 H new ATOM 0 HD11 ILE A 55 26.102 28.826 0.091 1.00 0.00 H new ATOM 0 HD12 ILE A 55 24.598 29.777 0.056 1.00 0.00 H new ATOM 0 HD13 ILE A 55 25.856 30.146 1.259 1.00 0.00 H new ATOM 868 N PRO A 56 21.941 28.255 5.580 1.00 0.00 N ATOM 869 CA PRO A 56 21.183 28.910 6.651 1.00 0.00 C ATOM 870 C PRO A 56 21.367 30.438 6.673 1.00 0.00 C ATOM 871 O PRO A 56 22.474 30.948 6.491 1.00 0.00 O ATOM 872 CB PRO A 56 21.663 28.266 7.958 1.00 0.00 C ATOM 873 CG PRO A 56 22.149 26.889 7.513 1.00 0.00 C ATOM 874 CD PRO A 56 22.742 27.173 6.135 1.00 0.00 C ATOM 0 HA PRO A 56 20.113 28.768 6.498 1.00 0.00 H new ATOM 0 HB2 PRO A 56 22.462 28.844 8.422 1.00 0.00 H new ATOM 0 HB3 PRO A 56 20.858 28.192 8.689 1.00 0.00 H new ATOM 0 HG2 PRO A 56 22.892 26.481 8.198 1.00 0.00 H new ATOM 0 HG3 PRO A 56 21.333 26.168 7.462 1.00 0.00 H new ATOM 0 HD2 PRO A 56 23.791 27.461 6.211 1.00 0.00 H new ATOM 0 HD3 PRO A 56 22.700 26.288 5.500 1.00 0.00 H new ATOM 882 N GLY A 57 20.282 31.178 6.917 1.00 0.00 N ATOM 883 CA GLY A 57 20.288 32.641 7.057 1.00 0.00 C ATOM 884 C GLY A 57 20.296 33.444 5.747 1.00 0.00 C ATOM 885 O GLY A 57 20.287 34.676 5.807 1.00 0.00 O ATOM 0 H GLY A 57 19.353 30.770 7.025 1.00 0.00 H new ATOM 0 HA2 GLY A 57 19.411 32.934 7.634 1.00 0.00 H new ATOM 0 HA3 GLY A 57 21.164 32.927 7.640 1.00 0.00 H new ATOM 889 N GLN A 58 20.297 32.789 4.578 1.00 0.00 N ATOM 890 CA GLN A 58 20.264 33.449 3.261 1.00 0.00 C ATOM 891 C GLN A 58 19.314 32.742 2.262 1.00 0.00 C ATOM 892 O GLN A 58 18.993 31.565 2.456 1.00 0.00 O ATOM 893 CB GLN A 58 21.711 33.602 2.757 1.00 0.00 C ATOM 894 CG GLN A 58 22.321 32.374 2.086 1.00 0.00 C ATOM 895 CD GLN A 58 23.737 32.694 1.601 1.00 0.00 C ATOM 896 OE1 GLN A 58 24.645 32.978 2.369 1.00 0.00 O ATOM 897 NE2 GLN A 58 23.967 32.723 0.306 1.00 0.00 N ATOM 0 H GLN A 58 20.321 31.771 4.517 1.00 0.00 H new ATOM 0 HA GLN A 58 19.832 34.445 3.358 1.00 0.00 H new ATOM 0 HB2 GLN A 58 21.742 34.431 2.050 1.00 0.00 H new ATOM 0 HB3 GLN A 58 22.341 33.880 3.602 1.00 0.00 H new ATOM 0 HG2 GLN A 58 22.348 31.541 2.788 1.00 0.00 H new ATOM 0 HG3 GLN A 58 21.701 32.063 1.245 1.00 0.00 H new ATOM 0 HE21 GLN A 58 23.222 32.489 -0.350 1.00 0.00 H new ATOM 0 HE22 GLN A 58 24.891 32.979 -0.042 1.00 0.00 H new ATOM 906 N PRO A 59 18.839 33.427 1.200 1.00 0.00 N ATOM 907 CA PRO A 59 17.847 32.873 0.277 1.00 0.00 C ATOM 908 C PRO A 59 18.404 31.756 -0.624 1.00 0.00 C ATOM 909 O PRO A 59 19.580 31.743 -1.000 1.00 0.00 O ATOM 910 CB PRO A 59 17.324 34.063 -0.534 1.00 0.00 C ATOM 911 CG PRO A 59 18.501 35.035 -0.526 1.00 0.00 C ATOM 912 CD PRO A 59 19.112 34.818 0.855 1.00 0.00 C ATOM 0 HA PRO A 59 17.048 32.381 0.831 1.00 0.00 H new ATOM 0 HB2 PRO A 59 17.050 33.770 -1.548 1.00 0.00 H new ATOM 0 HB3 PRO A 59 16.436 34.502 -0.078 1.00 0.00 H new ATOM 0 HG2 PRO A 59 19.212 34.815 -1.322 1.00 0.00 H new ATOM 0 HG3 PRO A 59 18.175 36.066 -0.666 1.00 0.00 H new ATOM 0 HD2 PRO A 59 20.184 35.014 0.843 1.00 0.00 H new ATOM 0 HD3 PRO A 59 18.672 35.495 1.587 1.00 0.00 H new ATOM 920 N VAL A 60 17.521 30.826 -0.996 1.00 0.00 N ATOM 921 CA VAL A 60 17.801 29.689 -1.894 1.00 0.00 C ATOM 922 C VAL A 60 18.168 30.173 -3.303 1.00 0.00 C ATOM 923 O VAL A 60 17.446 30.969 -3.909 1.00 0.00 O ATOM 924 CB VAL A 60 16.577 28.745 -1.944 1.00 0.00 C ATOM 925 CG1 VAL A 60 16.712 27.595 -2.952 1.00 0.00 C ATOM 926 CG2 VAL A 60 16.302 28.135 -0.563 1.00 0.00 C ATOM 0 H VAL A 60 16.554 30.839 -0.671 1.00 0.00 H new ATOM 0 HA VAL A 60 18.657 29.141 -1.500 1.00 0.00 H new ATOM 0 HB VAL A 60 15.751 29.378 -2.269 1.00 0.00 H new ATOM 0 HG11 VAL A 60 15.812 26.980 -2.925 1.00 0.00 H new ATOM 0 HG12 VAL A 60 16.843 28.003 -3.954 1.00 0.00 H new ATOM 0 HG13 VAL A 60 17.577 26.984 -2.693 1.00 0.00 H new ATOM 0 HG21 VAL A 60 15.437 27.475 -0.623 1.00 0.00 H new ATOM 0 HG22 VAL A 60 17.172 27.565 -0.237 1.00 0.00 H new ATOM 0 HG23 VAL A 60 16.102 28.932 0.153 1.00 0.00 H new ATOM 936 N VAL A 61 19.272 29.642 -3.838 1.00 0.00 N ATOM 937 CA VAL A 61 19.707 29.798 -5.238 1.00 0.00 C ATOM 938 C VAL A 61 19.452 28.479 -5.967 1.00 0.00 C ATOM 939 O VAL A 61 19.639 27.407 -5.390 1.00 0.00 O ATOM 940 CB VAL A 61 21.183 30.251 -5.334 1.00 0.00 C ATOM 941 CG1 VAL A 61 21.649 30.437 -6.782 1.00 0.00 C ATOM 942 CG2 VAL A 61 21.412 31.577 -4.598 1.00 0.00 C ATOM 0 H VAL A 61 19.915 29.069 -3.291 1.00 0.00 H new ATOM 0 HA VAL A 61 19.131 30.589 -5.718 1.00 0.00 H new ATOM 0 HB VAL A 61 21.760 29.452 -4.869 1.00 0.00 H new ATOM 0 HG11 VAL A 61 22.691 30.755 -6.791 1.00 0.00 H new ATOM 0 HG12 VAL A 61 21.553 29.493 -7.319 1.00 0.00 H new ATOM 0 HG13 VAL A 61 21.034 31.195 -7.268 1.00 0.00 H new ATOM 0 HG21 VAL A 61 22.459 31.866 -4.686 1.00 0.00 H new ATOM 0 HG22 VAL A 61 20.784 32.351 -5.039 1.00 0.00 H new ATOM 0 HG23 VAL A 61 21.155 31.458 -3.545 1.00 0.00 H new ATOM 952 N GLU A 62 19.032 28.540 -7.229 1.00 0.00 N ATOM 953 CA GLU A 62 18.740 27.373 -8.073 1.00 0.00 C ATOM 954 C GLU A 62 19.350 27.593 -9.471 1.00 0.00 C ATOM 955 O GLU A 62 18.942 28.496 -10.206 1.00 0.00 O ATOM 956 CB GLU A 62 17.221 27.151 -8.195 1.00 0.00 C ATOM 957 CG GLU A 62 16.508 26.918 -6.858 1.00 0.00 C ATOM 958 CD GLU A 62 15.007 26.656 -7.075 1.00 0.00 C ATOM 959 OE1 GLU A 62 14.215 27.631 -7.089 1.00 0.00 O ATOM 960 OE2 GLU A 62 14.607 25.476 -7.227 1.00 0.00 O ATOM 0 H GLU A 62 18.880 29.426 -7.711 1.00 0.00 H new ATOM 0 HA GLU A 62 19.178 26.487 -7.613 1.00 0.00 H new ATOM 0 HB2 GLU A 62 16.777 28.018 -8.684 1.00 0.00 H new ATOM 0 HB3 GLU A 62 17.042 26.293 -8.843 1.00 0.00 H new ATOM 0 HG2 GLU A 62 16.959 26.069 -6.344 1.00 0.00 H new ATOM 0 HG3 GLU A 62 16.640 27.788 -6.214 1.00 0.00 H new ATOM 967 N VAL A 63 20.344 26.783 -9.836 1.00 0.00 N ATOM 968 CA VAL A 63 21.055 26.823 -11.121 1.00 0.00 C ATOM 969 C VAL A 63 20.292 26.036 -12.196 1.00 0.00 C ATOM 970 O VAL A 63 19.616 25.053 -11.885 1.00 0.00 O ATOM 971 CB VAL A 63 22.473 26.253 -10.926 1.00 0.00 C ATOM 972 CG1 VAL A 63 23.356 26.444 -12.154 1.00 0.00 C ATOM 973 CG2 VAL A 63 23.229 26.870 -9.743 1.00 0.00 C ATOM 0 H VAL A 63 20.693 26.049 -9.220 1.00 0.00 H new ATOM 0 HA VAL A 63 21.124 27.856 -11.463 1.00 0.00 H new ATOM 0 HB VAL A 63 22.294 25.195 -10.737 1.00 0.00 H new ATOM 0 HG11 VAL A 63 24.343 26.024 -11.961 1.00 0.00 H new ATOM 0 HG12 VAL A 63 22.906 25.937 -13.008 1.00 0.00 H new ATOM 0 HG13 VAL A 63 23.451 27.508 -12.372 1.00 0.00 H new ATOM 0 HG21 VAL A 63 24.219 26.419 -9.669 1.00 0.00 H new ATOM 0 HG22 VAL A 63 23.330 27.944 -9.896 1.00 0.00 H new ATOM 0 HG23 VAL A 63 22.676 26.685 -8.822 1.00 0.00 H new ATOM 983 N GLY A 64 20.431 26.408 -13.472 1.00 0.00 N ATOM 984 CA GLY A 64 19.835 25.670 -14.592 1.00 0.00 C ATOM 985 C GLY A 64 18.324 25.898 -14.723 1.00 0.00 C ATOM 986 O GLY A 64 17.902 26.916 -15.280 1.00 0.00 O ATOM 0 H GLY A 64 20.961 27.231 -13.759 1.00 0.00 H new ATOM 0 HA2 GLY A 64 20.324 25.970 -15.519 1.00 0.00 H new ATOM 0 HA3 GLY A 64 20.026 24.605 -14.461 1.00 0.00 H new ATOM 990 N THR A 65 17.520 24.957 -14.217 1.00 0.00 N ATOM 991 CA THR A 65 16.041 24.987 -14.282 1.00 0.00 C ATOM 992 C THR A 65 15.447 24.292 -13.047 1.00 0.00 C ATOM 993 O THR A 65 16.103 23.469 -12.412 1.00 0.00 O ATOM 994 CB THR A 65 15.499 24.300 -15.564 1.00 0.00 C ATOM 995 OG1 THR A 65 16.293 24.573 -16.704 1.00 0.00 O ATOM 996 CG2 THR A 65 14.083 24.754 -15.934 1.00 0.00 C ATOM 0 H THR A 65 17.880 24.131 -13.738 1.00 0.00 H new ATOM 0 HA THR A 65 15.740 26.034 -14.307 1.00 0.00 H new ATOM 0 HB THR A 65 15.515 23.239 -15.313 1.00 0.00 H new ATOM 0 HG1 THR A 65 15.913 24.118 -17.484 1.00 0.00 H new ATOM 0 HG21 THR A 65 13.760 24.238 -16.839 1.00 0.00 H new ATOM 0 HG22 THR A 65 13.400 24.517 -15.118 1.00 0.00 H new ATOM 0 HG23 THR A 65 14.080 25.830 -16.109 1.00 0.00 H new ATOM 1004 N LYS A 66 14.193 24.587 -12.688 1.00 0.00 N ATOM 1005 CA LYS A 66 13.451 23.837 -11.662 1.00 0.00 C ATOM 1006 C LYS A 66 13.067 22.430 -12.185 1.00 0.00 C ATOM 1007 O LYS A 66 12.503 22.335 -13.281 1.00 0.00 O ATOM 1008 CB LYS A 66 12.220 24.654 -11.229 1.00 0.00 C ATOM 1009 CG LYS A 66 11.448 24.003 -10.071 1.00 0.00 C ATOM 1010 CD LYS A 66 10.227 24.848 -9.679 1.00 0.00 C ATOM 1011 CE LYS A 66 9.454 24.162 -8.544 1.00 0.00 C ATOM 1012 NZ LYS A 66 8.249 24.942 -8.153 1.00 0.00 N ATOM 0 H LYS A 66 13.661 25.353 -13.100 1.00 0.00 H new ATOM 0 HA LYS A 66 14.082 23.683 -10.787 1.00 0.00 H new ATOM 0 HB2 LYS A 66 12.539 25.652 -10.930 1.00 0.00 H new ATOM 0 HB3 LYS A 66 11.552 24.775 -12.082 1.00 0.00 H new ATOM 0 HG2 LYS A 66 11.125 23.003 -10.361 1.00 0.00 H new ATOM 0 HG3 LYS A 66 12.106 23.888 -9.210 1.00 0.00 H new ATOM 0 HD2 LYS A 66 10.548 25.841 -9.363 1.00 0.00 H new ATOM 0 HD3 LYS A 66 9.576 24.984 -10.543 1.00 0.00 H new ATOM 0 HE2 LYS A 66 9.155 23.162 -8.859 1.00 0.00 H new ATOM 0 HE3 LYS A 66 10.107 24.042 -7.679 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 7.751 24.449 -7.384 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 8.537 25.887 -7.829 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 7.615 25.035 -8.972 1.00 0.00 H new ATOM 1026 N PRO A 67 13.334 21.346 -11.432 1.00 0.00 N ATOM 1027 CA PRO A 67 13.022 19.972 -11.826 1.00 0.00 C ATOM 1028 C PRO A 67 11.540 19.598 -11.677 1.00 0.00 C ATOM 1029 O PRO A 67 10.799 20.171 -10.874 1.00 0.00 O ATOM 1030 CB PRO A 67 13.864 19.085 -10.915 1.00 0.00 C ATOM 1031 CG PRO A 67 14.011 19.917 -9.650 1.00 0.00 C ATOM 1032 CD PRO A 67 14.051 21.347 -10.170 1.00 0.00 C ATOM 0 HA PRO A 67 13.242 19.847 -12.886 1.00 0.00 H new ATOM 0 HB2 PRO A 67 13.372 18.133 -10.715 1.00 0.00 H new ATOM 0 HB3 PRO A 67 14.832 18.856 -11.360 1.00 0.00 H new ATOM 0 HG2 PRO A 67 13.176 19.761 -8.967 1.00 0.00 H new ATOM 0 HG3 PRO A 67 14.920 19.662 -9.105 1.00 0.00 H new ATOM 0 HD2 PRO A 67 13.586 22.031 -9.460 1.00 0.00 H new ATOM 0 HD3 PRO A 67 15.079 21.681 -10.308 1.00 0.00 H new ATOM 1040 N THR A 68 11.132 18.580 -12.440 1.00 0.00 N ATOM 1041 CA THR A 68 9.707 18.195 -12.570 1.00 0.00 C ATOM 1042 C THR A 68 9.195 17.279 -11.444 1.00 0.00 C ATOM 1043 O THR A 68 8.033 17.372 -11.042 1.00 0.00 O ATOM 1044 CB THR A 68 9.458 17.601 -13.970 1.00 0.00 C ATOM 1045 OG1 THR A 68 8.080 17.415 -14.203 1.00 0.00 O ATOM 1046 CG2 THR A 68 10.158 16.260 -14.211 1.00 0.00 C ATOM 0 H THR A 68 11.768 17.998 -12.985 1.00 0.00 H new ATOM 0 HA THR A 68 9.117 19.105 -12.457 1.00 0.00 H new ATOM 0 HB THR A 68 9.880 18.333 -14.659 1.00 0.00 H new ATOM 0 HG1 THR A 68 7.947 17.039 -15.098 1.00 0.00 H new ATOM 0 HG21 THR A 68 9.934 15.908 -15.218 1.00 0.00 H new ATOM 0 HG22 THR A 68 11.235 16.387 -14.103 1.00 0.00 H new ATOM 0 HG23 THR A 68 9.804 15.529 -13.484 1.00 0.00 H new ATOM 1054 N GLY A 69 10.069 16.421 -10.905 1.00 0.00 N ATOM 1055 CA GLY A 69 9.759 15.431 -9.855 1.00 0.00 C ATOM 1056 C GLY A 69 10.308 14.036 -10.159 1.00 0.00 C ATOM 1057 O GLY A 69 10.767 13.326 -9.266 1.00 0.00 O ATOM 0 H GLY A 69 11.047 16.392 -11.195 1.00 0.00 H new ATOM 0 HA2 GLY A 69 10.170 15.777 -8.906 1.00 0.00 H new ATOM 0 HA3 GLY A 69 8.678 15.369 -9.731 1.00 0.00 H new ATOM 1061 N ASP A 70 10.347 13.681 -11.445 1.00 0.00 N ATOM 1062 CA ASP A 70 11.015 12.495 -11.995 1.00 0.00 C ATOM 1063 C ASP A 70 12.539 12.713 -12.106 1.00 0.00 C ATOM 1064 O ASP A 70 13.125 12.697 -13.192 1.00 0.00 O ATOM 1065 CB ASP A 70 10.351 12.103 -13.323 1.00 0.00 C ATOM 1066 CG ASP A 70 8.826 11.945 -13.207 1.00 0.00 C ATOM 1067 OD1 ASP A 70 8.379 10.987 -12.529 1.00 0.00 O ATOM 1068 OD2 ASP A 70 8.077 12.761 -13.794 1.00 0.00 O ATOM 0 H ASP A 70 9.892 14.239 -12.168 1.00 0.00 H new ATOM 0 HA ASP A 70 10.894 11.653 -11.313 1.00 0.00 H new ATOM 0 HB2 ASP A 70 10.576 12.861 -14.073 1.00 0.00 H new ATOM 0 HB3 ASP A 70 10.782 11.166 -13.676 1.00 0.00 H new ATOM 1073 N VAL A 71 13.174 12.994 -10.961 1.00 0.00 N ATOM 1074 CA VAL A 71 14.577 13.420 -10.848 1.00 0.00 C ATOM 1075 C VAL A 71 15.320 12.719 -9.696 1.00 0.00 C ATOM 1076 O VAL A 71 14.724 12.275 -8.712 1.00 0.00 O ATOM 1077 CB VAL A 71 14.701 14.960 -10.738 1.00 0.00 C ATOM 1078 CG1 VAL A 71 14.130 15.687 -11.974 1.00 0.00 C ATOM 1079 CG2 VAL A 71 14.046 15.529 -9.472 1.00 0.00 C ATOM 0 H VAL A 71 12.710 12.929 -10.055 1.00 0.00 H new ATOM 0 HA VAL A 71 15.064 13.110 -11.772 1.00 0.00 H new ATOM 0 HB VAL A 71 15.773 15.147 -10.681 1.00 0.00 H new ATOM 0 HG11 VAL A 71 14.241 16.764 -11.846 1.00 0.00 H new ATOM 0 HG12 VAL A 71 14.671 15.369 -12.865 1.00 0.00 H new ATOM 0 HG13 VAL A 71 13.074 15.442 -12.084 1.00 0.00 H new ATOM 0 HG21 VAL A 71 14.168 16.612 -9.455 1.00 0.00 H new ATOM 0 HG22 VAL A 71 12.984 15.283 -9.470 1.00 0.00 H new ATOM 0 HG23 VAL A 71 14.520 15.097 -8.591 1.00 0.00 H new ATOM 1089 N LEU A 72 16.643 12.639 -9.831 1.00 0.00 N ATOM 1090 CA LEU A 72 17.626 12.126 -8.869 1.00 0.00 C ATOM 1091 C LEU A 72 18.134 13.267 -8.004 1.00 0.00 C ATOM 1092 O LEU A 72 18.418 14.335 -8.545 1.00 0.00 O ATOM 1093 CB LEU A 72 18.832 11.564 -9.642 1.00 0.00 C ATOM 1094 CG LEU A 72 18.466 10.357 -10.500 1.00 0.00 C ATOM 1095 CD1 LEU A 72 19.465 10.159 -11.638 1.00 0.00 C ATOM 1096 CD2 LEU A 72 18.441 9.098 -9.641 1.00 0.00 C ATOM 0 H LEU A 72 17.096 12.958 -10.688 1.00 0.00 H new ATOM 0 HA LEU A 72 17.157 11.358 -8.254 1.00 0.00 H new ATOM 0 HB2 LEU A 72 19.247 12.345 -10.278 1.00 0.00 H new ATOM 0 HB3 LEU A 72 19.612 11.280 -8.935 1.00 0.00 H new ATOM 0 HG LEU A 72 17.481 10.542 -10.928 1.00 0.00 H new ATOM 0 HD11 LEU A 72 19.175 9.291 -12.230 1.00 0.00 H new ATOM 0 HD12 LEU A 72 19.473 11.045 -12.273 1.00 0.00 H new ATOM 0 HD13 LEU A 72 20.461 10.000 -11.224 1.00 0.00 H new ATOM 0 HD21 LEU A 72 18.179 8.240 -10.260 1.00 0.00 H new ATOM 0 HD22 LEU A 72 19.425 8.939 -9.199 1.00 0.00 H new ATOM 0 HD23 LEU A 72 17.701 9.213 -8.849 1.00 0.00 H new ATOM 1108 N GLN A 73 18.306 13.056 -6.700 1.00 0.00 N ATOM 1109 CA GLN A 73 18.692 14.130 -5.768 1.00 0.00 C ATOM 1110 C GLN A 73 20.003 13.808 -5.035 1.00 0.00 C ATOM 1111 O GLN A 73 20.017 13.014 -4.097 1.00 0.00 O ATOM 1112 CB GLN A 73 17.548 14.364 -4.767 1.00 0.00 C ATOM 1113 CG GLN A 73 16.311 15.004 -5.421 1.00 0.00 C ATOM 1114 CD GLN A 73 15.319 15.530 -4.383 1.00 0.00 C ATOM 1115 OE1 GLN A 73 15.020 14.895 -3.379 1.00 0.00 O ATOM 1116 NE2 GLN A 73 14.778 16.713 -4.576 1.00 0.00 N ATOM 0 H GLN A 73 18.184 12.146 -6.256 1.00 0.00 H new ATOM 0 HA GLN A 73 18.868 15.040 -6.341 1.00 0.00 H new ATOM 0 HB2 GLN A 73 17.265 13.413 -4.316 1.00 0.00 H new ATOM 0 HB3 GLN A 73 17.901 15.007 -3.961 1.00 0.00 H new ATOM 0 HG2 GLN A 73 16.626 15.823 -6.068 1.00 0.00 H new ATOM 0 HG3 GLN A 73 15.816 14.269 -6.055 1.00 0.00 H new ATOM 0 HE21 GLN A 73 15.017 17.254 -5.407 1.00 0.00 H new ATOM 0 HE22 GLN A 73 14.119 17.090 -3.894 1.00 0.00 H new ATOM 1125 N GLY A 74 21.104 14.440 -5.444 1.00 0.00 N ATOM 1126 CA GLY A 74 22.384 14.418 -4.727 1.00 0.00 C ATOM 1127 C GLY A 74 22.397 15.473 -3.624 1.00 0.00 C ATOM 1128 O GLY A 74 21.733 16.495 -3.767 1.00 0.00 O ATOM 0 H GLY A 74 21.134 14.993 -6.300 1.00 0.00 H new ATOM 0 HA2 GLY A 74 22.549 13.431 -4.296 1.00 0.00 H new ATOM 0 HA3 GLY A 74 23.201 14.602 -5.424 1.00 0.00 H new ATOM 1132 N ARG A 75 23.141 15.258 -2.535 1.00 0.00 N ATOM 1133 CA ARG A 75 23.121 16.118 -1.331 1.00 0.00 C ATOM 1134 C ARG A 75 24.489 16.138 -0.631 1.00 0.00 C ATOM 1135 O ARG A 75 25.257 15.187 -0.762 1.00 0.00 O ATOM 1136 CB ARG A 75 21.987 15.631 -0.403 1.00 0.00 C ATOM 1137 CG ARG A 75 21.586 16.647 0.679 1.00 0.00 C ATOM 1138 CD ARG A 75 20.386 16.131 1.484 1.00 0.00 C ATOM 1139 NE ARG A 75 19.957 17.102 2.512 1.00 0.00 N ATOM 1140 CZ ARG A 75 20.441 17.254 3.734 1.00 0.00 C ATOM 1141 NH1 ARG A 75 21.446 16.554 4.181 1.00 0.00 N ATOM 1142 NH2 ARG A 75 19.915 18.126 4.544 1.00 0.00 N ATOM 0 H ARG A 75 23.786 14.472 -2.456 1.00 0.00 H new ATOM 0 HA ARG A 75 22.923 17.152 -1.615 1.00 0.00 H new ATOM 0 HB2 ARG A 75 21.112 15.396 -1.008 1.00 0.00 H new ATOM 0 HB3 ARG A 75 22.299 14.705 0.080 1.00 0.00 H new ATOM 0 HG2 ARG A 75 22.429 16.827 1.347 1.00 0.00 H new ATOM 0 HG3 ARG A 75 21.337 17.601 0.215 1.00 0.00 H new ATOM 0 HD2 ARG A 75 19.556 15.926 0.808 1.00 0.00 H new ATOM 0 HD3 ARG A 75 20.648 15.187 1.962 1.00 0.00 H new ATOM 0 HE ARG A 75 19.197 17.730 2.248 1.00 0.00 H new ATOM 0 HH11 ARG A 75 21.889 15.858 3.582 1.00 0.00 H new ATOM 0 HH12 ARG A 75 21.789 16.702 5.130 1.00 0.00 H new ATOM 0 HH21 ARG A 75 19.126 18.696 4.238 1.00 0.00 H new ATOM 0 HH22 ARG A 75 20.291 18.240 5.485 1.00 0.00 H new ATOM 1156 N ALA A 76 24.789 17.217 0.098 1.00 0.00 N ATOM 1157 CA ALA A 76 26.022 17.376 0.885 1.00 0.00 C ATOM 1158 C ALA A 76 25.913 18.483 1.957 1.00 0.00 C ATOM 1159 O ALA A 76 25.001 19.309 1.905 1.00 0.00 O ATOM 1160 CB ALA A 76 27.154 17.687 -0.096 1.00 0.00 C ATOM 0 H ALA A 76 24.169 18.024 0.161 1.00 0.00 H new ATOM 0 HA ALA A 76 26.214 16.453 1.433 1.00 0.00 H new ATOM 0 HB1 ALA A 76 28.087 17.812 0.453 1.00 0.00 H new ATOM 0 HB2 ALA A 76 27.257 16.865 -0.805 1.00 0.00 H new ATOM 0 HB3 ALA A 76 26.925 18.606 -0.636 1.00 0.00 H new ATOM 1166 N THR A 77 26.874 18.529 2.889 1.00 0.00 N ATOM 1167 CA THR A 77 26.940 19.494 4.008 1.00 0.00 C ATOM 1168 C THR A 77 28.343 20.103 4.078 1.00 0.00 C ATOM 1169 O THR A 77 29.309 19.407 4.400 1.00 0.00 O ATOM 1170 CB THR A 77 26.605 18.800 5.343 1.00 0.00 C ATOM 1171 OG1 THR A 77 25.295 18.267 5.304 1.00 0.00 O ATOM 1172 CG2 THR A 77 26.681 19.729 6.560 1.00 0.00 C ATOM 0 H THR A 77 27.657 17.875 2.890 1.00 0.00 H new ATOM 0 HA THR A 77 26.208 20.283 3.834 1.00 0.00 H new ATOM 0 HB THR A 77 27.360 18.022 5.457 1.00 0.00 H new ATOM 0 HG1 THR A 77 25.095 17.828 6.157 1.00 0.00 H new ATOM 0 HG21 THR A 77 26.432 19.169 7.461 1.00 0.00 H new ATOM 0 HG22 THR A 77 27.691 20.130 6.649 1.00 0.00 H new ATOM 0 HG23 THR A 77 25.974 20.549 6.436 1.00 0.00 H new ATOM 1180 N GLY A 78 28.466 21.393 3.758 1.00 0.00 N ATOM 1181 CA GLY A 78 29.738 22.112 3.722 1.00 0.00 C ATOM 1182 C GLY A 78 30.325 22.452 5.095 1.00 0.00 C ATOM 1183 O GLY A 78 29.641 22.444 6.121 1.00 0.00 O ATOM 0 H GLY A 78 27.667 21.977 3.512 1.00 0.00 H new ATOM 0 HA2 GLY A 78 30.463 21.512 3.172 1.00 0.00 H new ATOM 0 HA3 GLY A 78 29.600 23.037 3.163 1.00 0.00 H new ATOM 1187 N GLU A 79 31.611 22.783 5.103 1.00 0.00 N ATOM 1188 CA GLU A 79 32.442 23.038 6.285 1.00 0.00 C ATOM 1189 C GLU A 79 32.089 24.315 7.078 1.00 0.00 C ATOM 1190 O GLU A 79 32.610 24.485 8.184 1.00 0.00 O ATOM 1191 CB GLU A 79 33.928 23.056 5.875 1.00 0.00 C ATOM 1192 CG GLU A 79 34.434 21.683 5.408 1.00 0.00 C ATOM 1193 CD GLU A 79 35.959 21.706 5.187 1.00 0.00 C ATOM 1194 OE1 GLU A 79 36.420 22.118 4.093 1.00 0.00 O ATOM 1195 OE2 GLU A 79 36.713 21.303 6.109 1.00 0.00 O ATOM 0 H GLU A 79 32.137 22.888 4.236 1.00 0.00 H new ATOM 0 HA GLU A 79 32.234 22.218 6.973 1.00 0.00 H new ATOM 0 HB2 GLU A 79 34.070 23.782 5.074 1.00 0.00 H new ATOM 0 HB3 GLU A 79 34.529 23.391 6.720 1.00 0.00 H new ATOM 0 HG2 GLU A 79 34.181 20.926 6.150 1.00 0.00 H new ATOM 0 HG3 GLU A 79 33.932 21.402 4.482 1.00 0.00 H new ATOM 1202 N GLU A 80 31.196 25.191 6.588 1.00 0.00 N ATOM 1203 CA GLU A 80 30.656 26.302 7.394 1.00 0.00 C ATOM 1204 C GLU A 80 29.228 26.038 7.906 1.00 0.00 C ATOM 1205 O GLU A 80 28.609 26.902 8.535 1.00 0.00 O ATOM 1206 CB GLU A 80 30.678 27.577 6.572 1.00 0.00 C ATOM 1207 CG GLU A 80 32.039 27.868 5.941 1.00 0.00 C ATOM 1208 CD GLU A 80 33.156 28.128 6.973 1.00 0.00 C ATOM 1209 OE1 GLU A 80 32.947 28.916 7.928 1.00 0.00 O ATOM 1210 OE2 GLU A 80 34.272 27.574 6.820 1.00 0.00 O ATOM 0 H GLU A 80 30.831 25.152 5.636 1.00 0.00 H new ATOM 0 HA GLU A 80 31.292 26.400 8.274 1.00 0.00 H new ATOM 0 HB2 GLU A 80 29.928 27.506 5.784 1.00 0.00 H new ATOM 0 HB3 GLU A 80 30.394 28.416 7.208 1.00 0.00 H new ATOM 0 HG2 GLU A 80 32.326 27.025 5.312 1.00 0.00 H new ATOM 0 HG3 GLU A 80 31.949 28.737 5.289 1.00 0.00 H new ATOM 1217 N GLY A 81 28.696 24.842 7.643 1.00 0.00 N ATOM 1218 CA GLY A 81 27.420 24.351 8.185 1.00 0.00 C ATOM 1219 C GLY A 81 26.235 24.470 7.224 1.00 0.00 C ATOM 1220 O GLY A 81 25.084 24.500 7.660 1.00 0.00 O ATOM 0 H GLY A 81 29.152 24.166 7.030 1.00 0.00 H new ATOM 0 HA2 GLY A 81 27.538 23.305 8.468 1.00 0.00 H new ATOM 0 HA3 GLY A 81 27.190 24.904 9.096 1.00 0.00 H new ATOM 1224 N GLU A 82 26.503 24.580 5.920 1.00 0.00 N ATOM 1225 CA GLU A 82 25.497 24.762 4.869 1.00 0.00 C ATOM 1226 C GLU A 82 24.920 23.441 4.322 1.00 0.00 C ATOM 1227 O GLU A 82 25.136 22.370 4.891 1.00 0.00 O ATOM 1228 CB GLU A 82 26.108 25.679 3.798 1.00 0.00 C ATOM 1229 CG GLU A 82 27.252 25.075 2.966 1.00 0.00 C ATOM 1230 CD GLU A 82 26.720 24.160 1.851 1.00 0.00 C ATOM 1231 OE1 GLU A 82 26.003 24.679 0.966 1.00 0.00 O ATOM 1232 OE2 GLU A 82 26.960 22.930 1.916 1.00 0.00 O ATOM 0 H GLU A 82 27.455 24.544 5.555 1.00 0.00 H new ATOM 0 HA GLU A 82 24.612 25.241 5.287 1.00 0.00 H new ATOM 0 HB2 GLU A 82 25.315 25.989 3.118 1.00 0.00 H new ATOM 0 HB3 GLU A 82 26.478 26.580 4.287 1.00 0.00 H new ATOM 0 HG2 GLU A 82 27.846 25.877 2.527 1.00 0.00 H new ATOM 0 HG3 GLU A 82 27.916 24.507 3.618 1.00 0.00 H new ATOM 1239 N THR A 83 24.144 23.492 3.236 1.00 0.00 N ATOM 1240 CA THR A 83 23.678 22.293 2.533 1.00 0.00 C ATOM 1241 C THR A 83 23.541 22.532 1.024 1.00 0.00 C ATOM 1242 O THR A 83 22.778 23.391 0.576 1.00 0.00 O ATOM 1243 CB THR A 83 22.368 21.795 3.162 1.00 0.00 C ATOM 1244 OG1 THR A 83 22.669 21.242 4.424 1.00 0.00 O ATOM 1245 CG2 THR A 83 21.645 20.721 2.354 1.00 0.00 C ATOM 0 H THR A 83 23.821 24.365 2.819 1.00 0.00 H new ATOM 0 HA THR A 83 24.429 21.511 2.647 1.00 0.00 H new ATOM 0 HB THR A 83 21.705 22.659 3.211 1.00 0.00 H new ATOM 0 HG1 THR A 83 23.583 21.487 4.679 1.00 0.00 H new ATOM 0 HG21 THR A 83 20.732 20.429 2.872 1.00 0.00 H new ATOM 0 HG22 THR A 83 21.393 21.114 1.369 1.00 0.00 H new ATOM 0 HG23 THR A 83 22.293 19.852 2.243 1.00 0.00 H new ATOM 1253 N VAL A 84 24.242 21.706 0.246 1.00 0.00 N ATOM 1254 CA VAL A 84 24.132 21.614 -1.220 1.00 0.00 C ATOM 1255 C VAL A 84 23.155 20.517 -1.623 1.00 0.00 C ATOM 1256 O VAL A 84 23.080 19.468 -0.984 1.00 0.00 O ATOM 1257 CB VAL A 84 25.515 21.404 -1.882 1.00 0.00 C ATOM 1258 CG1 VAL A 84 25.472 20.979 -3.358 1.00 0.00 C ATOM 1259 CG2 VAL A 84 26.300 22.713 -1.831 1.00 0.00 C ATOM 0 H VAL A 84 24.929 21.056 0.629 1.00 0.00 H new ATOM 0 HA VAL A 84 23.740 22.564 -1.583 1.00 0.00 H new ATOM 0 HB VAL A 84 25.976 20.594 -1.317 1.00 0.00 H new ATOM 0 HG11 VAL A 84 26.489 20.857 -3.731 1.00 0.00 H new ATOM 0 HG12 VAL A 84 24.936 20.034 -3.449 1.00 0.00 H new ATOM 0 HG13 VAL A 84 24.960 21.744 -3.942 1.00 0.00 H new ATOM 0 HG21 VAL A 84 27.275 22.571 -2.296 1.00 0.00 H new ATOM 0 HG22 VAL A 84 25.752 23.487 -2.368 1.00 0.00 H new ATOM 0 HG23 VAL A 84 26.434 23.017 -0.793 1.00 0.00 H new ATOM 1269 N LEU A 85 22.445 20.752 -2.727 1.00 0.00 N ATOM 1270 CA LEU A 85 21.615 19.779 -3.428 1.00 0.00 C ATOM 1271 C LEU A 85 21.984 19.816 -4.931 1.00 0.00 C ATOM 1272 O LEU A 85 22.310 20.870 -5.473 1.00 0.00 O ATOM 1273 CB LEU A 85 20.134 20.096 -3.124 1.00 0.00 C ATOM 1274 CG LEU A 85 19.111 19.107 -3.720 1.00 0.00 C ATOM 1275 CD1 LEU A 85 18.929 17.868 -2.844 1.00 0.00 C ATOM 1276 CD2 LEU A 85 17.738 19.761 -3.844 1.00 0.00 C ATOM 0 H LEU A 85 22.434 21.668 -3.175 1.00 0.00 H new ATOM 0 HA LEU A 85 21.788 18.756 -3.093 1.00 0.00 H new ATOM 0 HB2 LEU A 85 20.000 20.123 -2.043 1.00 0.00 H new ATOM 0 HB3 LEU A 85 19.909 21.095 -3.498 1.00 0.00 H new ATOM 0 HG LEU A 85 19.506 18.820 -4.695 1.00 0.00 H new ATOM 0 HD11 LEU A 85 18.200 17.201 -3.304 1.00 0.00 H new ATOM 0 HD12 LEU A 85 19.883 17.350 -2.744 1.00 0.00 H new ATOM 0 HD13 LEU A 85 18.575 18.168 -1.858 1.00 0.00 H new ATOM 0 HD21 LEU A 85 17.031 19.047 -4.266 1.00 0.00 H new ATOM 0 HD22 LEU A 85 17.393 20.073 -2.858 1.00 0.00 H new ATOM 0 HD23 LEU A 85 17.807 20.632 -4.496 1.00 0.00 H new ATOM 1288 N VAL A 86 21.936 18.663 -5.594 1.00 0.00 N ATOM 1289 CA VAL A 86 22.076 18.516 -7.059 1.00 0.00 C ATOM 1290 C VAL A 86 20.903 17.702 -7.578 1.00 0.00 C ATOM 1291 O VAL A 86 20.502 16.736 -6.937 1.00 0.00 O ATOM 1292 CB VAL A 86 23.419 17.891 -7.497 1.00 0.00 C ATOM 1293 CG1 VAL A 86 23.562 17.868 -9.021 1.00 0.00 C ATOM 1294 CG2 VAL A 86 24.607 18.673 -6.926 1.00 0.00 C ATOM 0 H VAL A 86 21.794 17.771 -5.120 1.00 0.00 H new ATOM 0 HA VAL A 86 22.073 19.516 -7.493 1.00 0.00 H new ATOM 0 HB VAL A 86 23.420 16.871 -7.112 1.00 0.00 H new ATOM 0 HG11 VAL A 86 24.519 17.421 -9.290 1.00 0.00 H new ATOM 0 HG12 VAL A 86 22.753 17.280 -9.454 1.00 0.00 H new ATOM 0 HG13 VAL A 86 23.516 18.887 -9.406 1.00 0.00 H new ATOM 0 HG21 VAL A 86 25.538 18.209 -7.252 1.00 0.00 H new ATOM 0 HG22 VAL A 86 24.570 19.702 -7.283 1.00 0.00 H new ATOM 0 HG23 VAL A 86 24.559 18.664 -5.837 1.00 0.00 H new ATOM 1304 N GLU A 87 20.340 18.077 -8.724 1.00 0.00 N ATOM 1305 CA GLU A 87 19.143 17.453 -9.288 1.00 0.00 C ATOM 1306 C GLU A 87 19.341 17.127 -10.780 1.00 0.00 C ATOM 1307 O GLU A 87 19.792 17.956 -11.571 1.00 0.00 O ATOM 1308 CB GLU A 87 17.883 18.279 -8.964 1.00 0.00 C ATOM 1309 CG GLU A 87 17.739 18.487 -7.445 1.00 0.00 C ATOM 1310 CD GLU A 87 16.358 19.034 -7.050 1.00 0.00 C ATOM 1311 OE1 GLU A 87 15.434 18.215 -6.822 1.00 0.00 O ATOM 1312 OE2 GLU A 87 16.204 20.274 -6.927 1.00 0.00 O ATOM 0 H GLU A 87 20.708 18.836 -9.298 1.00 0.00 H new ATOM 0 HA GLU A 87 18.977 16.488 -8.809 1.00 0.00 H new ATOM 0 HB2 GLU A 87 17.938 19.246 -9.464 1.00 0.00 H new ATOM 0 HB3 GLU A 87 17.000 17.770 -9.351 1.00 0.00 H new ATOM 0 HG2 GLU A 87 17.909 17.539 -6.935 1.00 0.00 H new ATOM 0 HG3 GLU A 87 18.510 19.177 -7.102 1.00 0.00 H new ATOM 1319 N GLU A 88 19.036 15.877 -11.131 1.00 0.00 N ATOM 1320 CA GLU A 88 19.312 15.249 -12.434 1.00 0.00 C ATOM 1321 C GLU A 88 18.064 14.535 -12.978 1.00 0.00 C ATOM 1322 O GLU A 88 17.381 13.882 -12.194 1.00 0.00 O ATOM 1323 CB GLU A 88 20.434 14.212 -12.236 1.00 0.00 C ATOM 1324 CG GLU A 88 21.860 14.631 -12.594 1.00 0.00 C ATOM 1325 CD GLU A 88 22.031 14.763 -14.110 1.00 0.00 C ATOM 1326 OE1 GLU A 88 21.766 15.862 -14.644 1.00 0.00 O ATOM 1327 OE2 GLU A 88 22.419 13.792 -14.796 1.00 0.00 O ATOM 0 H GLU A 88 18.567 15.240 -10.487 1.00 0.00 H new ATOM 0 HA GLU A 88 19.605 16.019 -13.148 1.00 0.00 H new ATOM 0 HB2 GLU A 88 20.427 13.906 -11.190 1.00 0.00 H new ATOM 0 HB3 GLU A 88 20.185 13.331 -12.828 1.00 0.00 H new ATOM 0 HG2 GLU A 88 22.095 15.581 -12.114 1.00 0.00 H new ATOM 0 HG3 GLU A 88 22.566 13.896 -12.208 1.00 0.00 H new ATOM 1334 N PRO A 89 17.744 14.581 -14.282 1.00 0.00 N ATOM 1335 CA PRO A 89 16.628 13.815 -14.838 1.00 0.00 C ATOM 1336 C PRO A 89 16.831 12.295 -14.678 1.00 0.00 C ATOM 1337 O PRO A 89 17.922 11.768 -14.928 1.00 0.00 O ATOM 1338 CB PRO A 89 16.526 14.236 -16.310 1.00 0.00 C ATOM 1339 CG PRO A 89 17.947 14.685 -16.652 1.00 0.00 C ATOM 1340 CD PRO A 89 18.439 15.293 -15.339 1.00 0.00 C ATOM 0 HA PRO A 89 15.701 14.026 -14.305 1.00 0.00 H new ATOM 0 HB2 PRO A 89 16.203 13.409 -16.943 1.00 0.00 H new ATOM 0 HB3 PRO A 89 15.806 15.043 -16.448 1.00 0.00 H new ATOM 0 HG2 PRO A 89 18.570 13.848 -16.968 1.00 0.00 H new ATOM 0 HG3 PRO A 89 17.956 15.413 -17.463 1.00 0.00 H new ATOM 0 HD2 PRO A 89 19.519 15.183 -15.239 1.00 0.00 H new ATOM 0 HD3 PRO A 89 18.222 16.360 -15.298 1.00 0.00 H new ATOM 1348 N ARG A 90 15.759 11.595 -14.278 1.00 0.00 N ATOM 1349 CA ARG A 90 15.704 10.123 -14.203 1.00 0.00 C ATOM 1350 C ARG A 90 15.477 9.489 -15.585 1.00 0.00 C ATOM 1351 O ARG A 90 16.263 8.588 -15.959 1.00 0.00 O ATOM 1352 CB ARG A 90 14.666 9.674 -13.158 1.00 0.00 C ATOM 1353 CG ARG A 90 14.724 8.151 -12.951 1.00 0.00 C ATOM 1354 CD ARG A 90 13.786 7.672 -11.839 1.00 0.00 C ATOM 1355 NE ARG A 90 13.761 6.196 -11.792 1.00 0.00 N ATOM 1356 CZ ARG A 90 13.850 5.405 -10.741 1.00 0.00 C ATOM 1357 NH1 ARG A 90 13.923 5.845 -9.520 1.00 0.00 N ATOM 1358 NH2 ARG A 90 13.873 4.116 -10.889 1.00 0.00 N ATOM 1359 OXT ARG A 90 14.523 9.888 -16.295 1.00 0.00 O ATOM 0 H ARG A 90 14.888 12.042 -13.992 1.00 0.00 H new ATOM 0 HA ARG A 90 16.675 9.759 -13.867 1.00 0.00 H new ATOM 0 HB2 ARG A 90 14.853 10.182 -12.212 1.00 0.00 H new ATOM 0 HB3 ARG A 90 13.667 9.964 -13.483 1.00 0.00 H new ATOM 0 HG2 ARG A 90 14.461 7.651 -13.883 1.00 0.00 H new ATOM 0 HG3 ARG A 90 15.746 7.859 -12.710 1.00 0.00 H new ATOM 0 HD2 ARG A 90 14.117 8.068 -10.879 1.00 0.00 H new ATOM 0 HD3 ARG A 90 12.780 8.055 -12.012 1.00 0.00 H new ATOM 0 HE ARG A 90 13.662 5.726 -12.692 1.00 0.00 H new ATOM 0 HH11 ARG A 90 13.913 6.849 -9.338 1.00 0.00 H new ATOM 0 HH12 ARG A 90 13.990 5.187 -8.744 1.00 0.00 H new ATOM 0 HH21 ARG A 90 13.822 3.709 -11.823 1.00 0.00 H new ATOM 0 HH22 ARG A 90 13.942 3.510 -10.071 1.00 0.00 H new