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 Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 28 SER OG : rot 70:sc= 1.13 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= -0.121 X(o=-0.12,f=-0.16) USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 GLN : amide:sc= -0.358 K(o=-0.36,f=-2.9!) USER MOD Single : A 65 THR OG1 : rot -2:sc= 0.477 USER MOD Single : A 66 LYS NZ :NH3+ -170:sc= 1.06 (180deg=0.999) USER MOD Single : A 68 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 GLN : amide:sc= 2.07 K(o=2.1,f=-5.5!) USER MOD Single : A 77 THR OG1 : rot 180:sc= 0 USER MOD Single : A 83 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 170 N GLU A 13 23.366 7.274 -7.179 1.00 0.00 N ATOM 171 CA GLU A 13 24.629 7.295 -6.423 1.00 0.00 C ATOM 172 C GLU A 13 25.561 8.427 -6.915 1.00 0.00 C ATOM 173 O GLU A 13 26.018 9.242 -6.118 1.00 0.00 O ATOM 174 CB GLU A 13 25.264 5.894 -6.484 1.00 0.00 C ATOM 175 CG GLU A 13 26.527 5.730 -5.627 1.00 0.00 C ATOM 176 CD GLU A 13 26.187 5.613 -4.128 1.00 0.00 C ATOM 177 OE1 GLU A 13 26.067 6.655 -3.439 1.00 0.00 O ATOM 178 OE2 GLU A 13 26.035 4.471 -3.628 1.00 0.00 O ATOM 0 HA GLU A 13 24.440 7.527 -5.375 1.00 0.00 H new ATOM 0 HB2 GLU A 13 24.525 5.160 -6.164 1.00 0.00 H new ATOM 0 HB3 GLU A 13 25.511 5.666 -7.521 1.00 0.00 H new ATOM 0 HG2 GLU A 13 27.071 4.842 -5.947 1.00 0.00 H new ATOM 0 HG3 GLU A 13 27.187 6.583 -5.785 1.00 0.00 H new ATOM 185 N ARG A 14 25.803 8.530 -8.232 1.00 0.00 N ATOM 186 CA ARG A 14 26.774 9.494 -8.799 1.00 0.00 C ATOM 187 C ARG A 14 26.438 10.946 -8.465 1.00 0.00 C ATOM 188 O ARG A 14 27.352 11.713 -8.173 1.00 0.00 O ATOM 189 CB ARG A 14 27.007 9.312 -10.312 1.00 0.00 C ATOM 190 CG ARG A 14 25.781 9.511 -11.225 1.00 0.00 C ATOM 191 CD ARG A 14 26.125 10.242 -12.530 1.00 0.00 C ATOM 192 NE ARG A 14 25.984 11.710 -12.397 1.00 0.00 N ATOM 193 CZ ARG A 14 25.216 12.502 -13.120 1.00 0.00 C ATOM 194 NH1 ARG A 14 24.450 12.103 -14.091 1.00 0.00 N ATOM 195 NH2 ARG A 14 25.174 13.767 -12.891 1.00 0.00 N ATOM 0 H ARG A 14 25.337 7.954 -8.933 1.00 0.00 H new ATOM 0 HA ARG A 14 27.716 9.258 -8.305 1.00 0.00 H new ATOM 0 HB2 ARG A 14 27.782 10.012 -10.624 1.00 0.00 H new ATOM 0 HB3 ARG A 14 27.397 8.308 -10.479 1.00 0.00 H new ATOM 0 HG2 ARG A 14 25.348 8.539 -11.461 1.00 0.00 H new ATOM 0 HG3 ARG A 14 25.020 10.076 -10.687 1.00 0.00 H new ATOM 0 HD2 ARG A 14 27.147 10.001 -12.822 1.00 0.00 H new ATOM 0 HD3 ARG A 14 25.473 9.886 -13.328 1.00 0.00 H new ATOM 0 HE ARG A 14 26.540 12.157 -11.668 1.00 0.00 H new ATOM 0 HH11 ARG A 14 24.415 11.114 -14.340 1.00 0.00 H new ATOM 0 HH12 ARG A 14 23.884 12.778 -14.605 1.00 0.00 H new ATOM 0 HH21 ARG A 14 25.739 14.169 -12.143 1.00 0.00 H new ATOM 0 HH22 ARG A 14 24.576 14.368 -13.458 1.00 0.00 H new ATOM 209 N VAL A 15 25.141 11.280 -8.407 1.00 0.00 N ATOM 210 CA VAL A 15 24.673 12.620 -8.007 1.00 0.00 C ATOM 211 C VAL A 15 25.048 12.979 -6.567 1.00 0.00 C ATOM 212 O VAL A 15 25.138 14.163 -6.247 1.00 0.00 O ATOM 213 CB VAL A 15 23.185 12.899 -8.286 1.00 0.00 C ATOM 214 CG1 VAL A 15 22.905 12.883 -9.789 1.00 0.00 C ATOM 215 CG2 VAL A 15 22.228 11.930 -7.599 1.00 0.00 C ATOM 0 H VAL A 15 24.386 10.633 -8.635 1.00 0.00 H new ATOM 0 HA VAL A 15 25.222 13.289 -8.670 1.00 0.00 H new ATOM 0 HB VAL A 15 22.998 13.887 -7.866 1.00 0.00 H new ATOM 0 HG11 VAL A 15 21.848 13.082 -9.964 1.00 0.00 H new ATOM 0 HG12 VAL A 15 23.505 13.650 -10.279 1.00 0.00 H new ATOM 0 HG13 VAL A 15 23.162 11.905 -10.197 1.00 0.00 H new ATOM 0 HG21 VAL A 15 21.201 12.196 -7.847 1.00 0.00 H new ATOM 0 HG22 VAL A 15 22.432 10.915 -7.939 1.00 0.00 H new ATOM 0 HG23 VAL A 15 22.367 11.986 -6.519 1.00 0.00 H new ATOM 225 N ASP A 16 25.343 11.999 -5.706 1.00 0.00 N ATOM 226 CA ASP A 16 25.826 12.292 -4.347 1.00 0.00 C ATOM 227 C ASP A 16 27.255 12.882 -4.353 1.00 0.00 C ATOM 228 O ASP A 16 27.508 13.896 -3.702 1.00 0.00 O ATOM 229 CB ASP A 16 25.739 11.026 -3.487 1.00 0.00 C ATOM 230 CG ASP A 16 26.065 11.302 -2.012 1.00 0.00 C ATOM 231 OD1 ASP A 16 25.128 11.627 -1.244 1.00 0.00 O ATOM 232 OD2 ASP A 16 27.243 11.146 -1.608 1.00 0.00 O ATOM 0 H ASP A 16 25.258 11.005 -5.920 1.00 0.00 H new ATOM 0 HA ASP A 16 25.184 13.058 -3.911 1.00 0.00 H new ATOM 0 HB2 ASP A 16 24.736 10.606 -3.563 1.00 0.00 H new ATOM 0 HB3 ASP A 16 26.429 10.277 -3.876 1.00 0.00 H new ATOM 237 N LEU A 17 28.181 12.303 -5.127 1.00 0.00 N ATOM 238 CA LEU A 17 29.612 12.639 -5.067 1.00 0.00 C ATOM 239 C LEU A 17 29.887 14.045 -5.621 1.00 0.00 C ATOM 240 O LEU A 17 30.616 14.833 -5.023 1.00 0.00 O ATOM 241 CB LEU A 17 30.427 11.582 -5.843 1.00 0.00 C ATOM 242 CG LEU A 17 30.613 10.187 -5.210 1.00 0.00 C ATOM 243 CD1 LEU A 17 31.219 10.256 -3.807 1.00 0.00 C ATOM 244 CD2 LEU A 17 29.330 9.360 -5.147 1.00 0.00 C ATOM 0 H LEU A 17 27.959 11.585 -5.816 1.00 0.00 H new ATOM 0 HA LEU A 17 29.919 12.636 -4.021 1.00 0.00 H new ATOM 0 HB2 LEU A 17 29.952 11.445 -6.815 1.00 0.00 H new ATOM 0 HB3 LEU A 17 31.418 11.997 -6.028 1.00 0.00 H new ATOM 0 HG LEU A 17 31.307 9.685 -5.884 1.00 0.00 H new ATOM 0 HD11 LEU A 17 31.328 9.248 -3.408 1.00 0.00 H new ATOM 0 HD12 LEU A 17 32.197 10.735 -3.856 1.00 0.00 H new ATOM 0 HD13 LEU A 17 30.564 10.835 -3.156 1.00 0.00 H new ATOM 0 HD21 LEU A 17 29.542 8.394 -4.690 1.00 0.00 H new ATOM 0 HD22 LEU A 17 28.586 9.888 -4.551 1.00 0.00 H new ATOM 0 HD23 LEU A 17 28.945 9.208 -6.155 1.00 0.00 H new ATOM 256 N GLU A 18 29.239 14.372 -6.737 1.00 0.00 N ATOM 257 CA GLU A 18 29.219 15.720 -7.324 1.00 0.00 C ATOM 258 C GLU A 18 28.603 16.762 -6.368 1.00 0.00 C ATOM 259 O GLU A 18 29.124 17.872 -6.273 1.00 0.00 O ATOM 260 CB GLU A 18 28.542 15.692 -8.710 1.00 0.00 C ATOM 261 CG GLU A 18 27.155 15.045 -8.703 1.00 0.00 C ATOM 262 CD GLU A 18 26.710 14.639 -10.124 1.00 0.00 C ATOM 263 OE1 GLU A 18 27.165 13.609 -10.672 1.00 0.00 O ATOM 264 OE2 GLU A 18 25.832 15.314 -10.700 1.00 0.00 O ATOM 0 H GLU A 18 28.699 13.694 -7.275 1.00 0.00 H new ATOM 0 HA GLU A 18 30.249 16.044 -7.475 1.00 0.00 H new ATOM 0 HB2 GLU A 18 28.456 16.712 -9.083 1.00 0.00 H new ATOM 0 HB3 GLU A 18 29.182 15.151 -9.407 1.00 0.00 H new ATOM 0 HG2 GLU A 18 27.167 14.165 -8.060 1.00 0.00 H new ATOM 0 HG3 GLU A 18 26.431 15.740 -8.279 1.00 0.00 H new ATOM 271 N ALA A 19 27.582 16.411 -5.574 1.00 0.00 N ATOM 272 CA ALA A 19 27.019 17.299 -4.552 1.00 0.00 C ATOM 273 C ALA A 19 27.974 17.515 -3.361 1.00 0.00 C ATOM 274 O ALA A 19 28.130 18.646 -2.901 1.00 0.00 O ATOM 275 CB ALA A 19 25.654 16.751 -4.112 1.00 0.00 C ATOM 0 H ALA A 19 27.124 15.501 -5.624 1.00 0.00 H new ATOM 0 HA ALA A 19 26.881 18.289 -4.988 1.00 0.00 H new ATOM 0 HB1 ALA A 19 25.227 17.405 -3.352 1.00 0.00 H new ATOM 0 HB2 ALA A 19 24.985 16.709 -4.971 1.00 0.00 H new ATOM 0 HB3 ALA A 19 25.780 15.750 -3.700 1.00 0.00 H new ATOM 281 N VAL A 20 28.679 16.474 -2.901 1.00 0.00 N ATOM 282 CA VAL A 20 29.742 16.583 -1.875 1.00 0.00 C ATOM 283 C VAL A 20 30.913 17.429 -2.387 1.00 0.00 C ATOM 284 O VAL A 20 31.410 18.301 -1.672 1.00 0.00 O ATOM 285 CB VAL A 20 30.196 15.183 -1.406 1.00 0.00 C ATOM 286 CG1 VAL A 20 31.416 15.232 -0.476 1.00 0.00 C ATOM 287 CG2 VAL A 20 29.071 14.485 -0.629 1.00 0.00 C ATOM 0 H VAL A 20 28.532 15.520 -3.229 1.00 0.00 H new ATOM 0 HA VAL A 20 29.333 17.098 -1.006 1.00 0.00 H new ATOM 0 HB VAL A 20 30.457 14.640 -2.314 1.00 0.00 H new ATOM 0 HG11 VAL A 20 31.688 14.219 -0.180 1.00 0.00 H new ATOM 0 HG12 VAL A 20 32.253 15.695 -0.998 1.00 0.00 H new ATOM 0 HG13 VAL A 20 31.174 15.817 0.411 1.00 0.00 H new ATOM 0 HG21 VAL A 20 29.408 13.500 -0.306 1.00 0.00 H new ATOM 0 HG22 VAL A 20 28.807 15.082 0.244 1.00 0.00 H new ATOM 0 HG23 VAL A 20 28.198 14.377 -1.272 1.00 0.00 H new ATOM 297 N ARG A 21 31.307 17.263 -3.653 1.00 0.00 N ATOM 298 CA ARG A 21 32.318 18.129 -4.282 1.00 0.00 C ATOM 299 C ARG A 21 31.849 19.585 -4.375 1.00 0.00 C ATOM 300 O ARG A 21 32.619 20.475 -4.043 1.00 0.00 O ATOM 301 CB ARG A 21 32.759 17.517 -5.620 1.00 0.00 C ATOM 302 CG ARG A 21 33.849 18.354 -6.322 1.00 0.00 C ATOM 303 CD ARG A 21 33.293 19.031 -7.580 1.00 0.00 C ATOM 304 NE ARG A 21 33.079 18.010 -8.625 1.00 0.00 N ATOM 305 CZ ARG A 21 32.172 17.959 -9.582 1.00 0.00 C ATOM 306 NH1 ARG A 21 31.353 18.933 -9.845 1.00 0.00 N ATOM 307 NH2 ARG A 21 32.091 16.881 -10.295 1.00 0.00 N ATOM 0 H ARG A 21 30.942 16.535 -4.267 1.00 0.00 H new ATOM 0 HA ARG A 21 33.204 18.175 -3.649 1.00 0.00 H new ATOM 0 HB2 ARG A 21 33.134 16.508 -5.448 1.00 0.00 H new ATOM 0 HB3 ARG A 21 31.894 17.428 -6.278 1.00 0.00 H new ATOM 0 HG2 ARG A 21 34.231 19.110 -5.636 1.00 0.00 H new ATOM 0 HG3 ARG A 21 34.689 17.713 -6.590 1.00 0.00 H new ATOM 0 HD2 ARG A 21 32.355 19.537 -7.351 1.00 0.00 H new ATOM 0 HD3 ARG A 21 33.987 19.792 -7.935 1.00 0.00 H new ATOM 0 HE ARG A 21 33.731 17.226 -8.604 1.00 0.00 H new ATOM 0 HH11 ARG A 21 31.392 19.793 -9.299 1.00 0.00 H new ATOM 0 HH12 ARG A 21 30.672 18.837 -10.598 1.00 0.00 H new ATOM 0 HH21 ARG A 21 32.719 16.099 -10.110 1.00 0.00 H new ATOM 0 HH22 ARG A 21 31.399 16.814 -11.041 1.00 0.00 H new ATOM 321 N LEU A 22 30.583 19.852 -4.700 1.00 0.00 N ATOM 322 CA LEU A 22 29.990 21.191 -4.620 1.00 0.00 C ATOM 323 C LEU A 22 29.955 21.725 -3.199 1.00 0.00 C ATOM 324 O LEU A 22 30.217 22.904 -3.039 1.00 0.00 O ATOM 325 CB LEU A 22 28.613 21.294 -5.289 1.00 0.00 C ATOM 326 CG LEU A 22 28.729 21.828 -6.726 1.00 0.00 C ATOM 327 CD1 LEU A 22 29.189 20.763 -7.712 1.00 0.00 C ATOM 328 CD2 LEU A 22 27.386 22.375 -7.168 1.00 0.00 C ATOM 0 H LEU A 22 29.933 19.139 -5.030 1.00 0.00 H new ATOM 0 HA LEU A 22 30.658 21.831 -5.196 1.00 0.00 H new ATOM 0 HB2 LEU A 22 28.138 20.313 -5.300 1.00 0.00 H new ATOM 0 HB3 LEU A 22 27.971 21.953 -4.705 1.00 0.00 H new ATOM 0 HG LEU A 22 29.484 22.614 -6.721 1.00 0.00 H new ATOM 0 HD11 LEU A 22 29.253 21.195 -8.711 1.00 0.00 H new ATOM 0 HD12 LEU A 22 30.169 20.390 -7.414 1.00 0.00 H new ATOM 0 HD13 LEU A 22 28.474 19.940 -7.718 1.00 0.00 H new ATOM 0 HD21 LEU A 22 27.465 22.754 -8.187 1.00 0.00 H new ATOM 0 HD22 LEU A 22 26.640 21.581 -7.134 1.00 0.00 H new ATOM 0 HD23 LEU A 22 27.085 23.184 -6.502 1.00 0.00 H new ATOM 340 N ALA A 23 29.761 20.915 -2.165 1.00 0.00 N ATOM 341 CA ALA A 23 29.947 21.390 -0.794 1.00 0.00 C ATOM 342 C ALA A 23 31.380 21.935 -0.576 1.00 0.00 C ATOM 343 O ALA A 23 31.549 22.943 0.110 1.00 0.00 O ATOM 344 CB ALA A 23 29.541 20.268 0.163 1.00 0.00 C ATOM 0 H ALA A 23 29.479 19.938 -2.244 1.00 0.00 H new ATOM 0 HA ALA A 23 29.302 22.244 -0.587 1.00 0.00 H new ATOM 0 HB1 ALA A 23 29.672 20.602 1.192 1.00 0.00 H new ATOM 0 HB2 ALA A 23 28.496 20.008 -0.003 1.00 0.00 H new ATOM 0 HB3 ALA A 23 30.165 19.393 -0.017 1.00 0.00 H new ATOM 350 N SER A 24 32.392 21.373 -1.256 1.00 0.00 N ATOM 351 CA SER A 24 33.755 21.943 -1.281 1.00 0.00 C ATOM 352 C SER A 24 33.882 23.190 -2.176 1.00 0.00 C ATOM 353 O SER A 24 34.608 24.122 -1.814 1.00 0.00 O ATOM 354 CB SER A 24 34.802 20.890 -1.675 1.00 0.00 C ATOM 355 OG SER A 24 34.800 19.799 -0.765 1.00 0.00 O ATOM 0 H SER A 24 32.293 20.517 -1.801 1.00 0.00 H new ATOM 0 HA SER A 24 33.952 22.269 -0.260 1.00 0.00 H new ATOM 0 HB2 SER A 24 34.596 20.527 -2.682 1.00 0.00 H new ATOM 0 HB3 SER A 24 35.791 21.347 -1.697 1.00 0.00 H new ATOM 0 HG SER A 24 35.474 19.143 -1.040 1.00 0.00 H new ATOM 361 N ILE A 25 33.166 23.277 -3.311 1.00 0.00 N ATOM 362 CA ILE A 25 33.215 24.498 -4.140 1.00 0.00 C ATOM 363 C ILE A 25 32.494 25.664 -3.436 1.00 0.00 C ATOM 364 O ILE A 25 32.952 26.803 -3.468 1.00 0.00 O ATOM 365 CB ILE A 25 32.664 24.275 -5.559 1.00 0.00 C ATOM 366 CG1 ILE A 25 33.045 22.941 -6.233 1.00 0.00 C ATOM 367 CG2 ILE A 25 33.145 25.419 -6.459 1.00 0.00 C ATOM 368 CD1 ILE A 25 34.520 22.549 -6.260 1.00 0.00 C ATOM 0 H ILE A 25 32.561 22.538 -3.670 1.00 0.00 H new ATOM 0 HA ILE A 25 34.266 24.761 -4.257 1.00 0.00 H new ATOM 0 HB ILE A 25 31.581 24.244 -5.439 1.00 0.00 H new ATOM 0 HG12 ILE A 25 32.497 22.144 -5.731 1.00 0.00 H new ATOM 0 HG13 ILE A 25 32.689 22.973 -7.263 1.00 0.00 H new ATOM 0 HG21 ILE A 25 32.761 25.273 -7.469 1.00 0.00 H new ATOM 0 HG22 ILE A 25 32.781 26.369 -6.066 1.00 0.00 H new ATOM 0 HG23 ILE A 25 34.235 25.430 -6.483 1.00 0.00 H new ATOM 0 HD11 ILE A 25 34.632 21.590 -6.765 1.00 0.00 H new ATOM 0 HD12 ILE A 25 35.089 23.309 -6.795 1.00 0.00 H new ATOM 0 HD13 ILE A 25 34.894 22.468 -5.239 1.00 0.00 H new ATOM 380 N VAL A 26 31.399 25.376 -2.728 1.00 0.00 N ATOM 381 CA VAL A 26 30.648 26.319 -1.892 1.00 0.00 C ATOM 382 C VAL A 26 31.486 26.750 -0.692 1.00 0.00 C ATOM 383 O VAL A 26 31.613 27.948 -0.493 1.00 0.00 O ATOM 384 CB VAL A 26 29.313 25.702 -1.445 1.00 0.00 C ATOM 385 CG1 VAL A 26 28.572 26.604 -0.452 1.00 0.00 C ATOM 386 CG2 VAL A 26 28.392 25.447 -2.653 1.00 0.00 C ATOM 0 H VAL A 26 30.994 24.440 -2.721 1.00 0.00 H new ATOM 0 HA VAL A 26 30.424 27.207 -2.483 1.00 0.00 H new ATOM 0 HB VAL A 26 29.557 24.759 -0.956 1.00 0.00 H new ATOM 0 HG11 VAL A 26 27.634 26.131 -0.161 1.00 0.00 H new ATOM 0 HG12 VAL A 26 29.191 26.757 0.432 1.00 0.00 H new ATOM 0 HG13 VAL A 26 28.364 27.566 -0.920 1.00 0.00 H new ATOM 0 HG21 VAL A 26 27.454 25.010 -2.310 1.00 0.00 H new ATOM 0 HG22 VAL A 26 28.189 26.390 -3.161 1.00 0.00 H new ATOM 0 HG23 VAL A 26 28.880 24.760 -3.344 1.00 0.00 H new ATOM 396 N ASP A 27 32.150 25.847 0.038 1.00 0.00 N ATOM 397 CA ASP A 27 33.132 26.228 1.069 1.00 0.00 C ATOM 398 C ASP A 27 34.197 27.194 0.517 1.00 0.00 C ATOM 399 O ASP A 27 34.496 28.219 1.133 1.00 0.00 O ATOM 400 CB ASP A 27 33.805 24.972 1.634 1.00 0.00 C ATOM 401 CG ASP A 27 34.977 25.317 2.567 1.00 0.00 C ATOM 402 OD1 ASP A 27 34.766 26.025 3.579 1.00 0.00 O ATOM 403 OD2 ASP A 27 36.111 24.857 2.289 1.00 0.00 O ATOM 0 H ASP A 27 32.026 24.840 -0.065 1.00 0.00 H new ATOM 0 HA ASP A 27 32.597 26.748 1.864 1.00 0.00 H new ATOM 0 HB2 ASP A 27 33.069 24.381 2.179 1.00 0.00 H new ATOM 0 HB3 ASP A 27 34.166 24.353 0.812 1.00 0.00 H new ATOM 408 N SER A 28 34.695 26.928 -0.697 1.00 0.00 N ATOM 409 CA SER A 28 35.650 27.815 -1.381 1.00 0.00 C ATOM 410 C SER A 28 35.071 29.221 -1.642 1.00 0.00 C ATOM 411 O SER A 28 35.810 30.206 -1.605 1.00 0.00 O ATOM 412 CB SER A 28 36.154 27.182 -2.688 1.00 0.00 C ATOM 413 OG SER A 28 36.676 25.877 -2.471 1.00 0.00 O ATOM 0 H SER A 28 34.450 26.095 -1.233 1.00 0.00 H new ATOM 0 HA SER A 28 36.497 27.940 -0.706 1.00 0.00 H new ATOM 0 HB2 SER A 28 35.337 27.132 -3.408 1.00 0.00 H new ATOM 0 HB3 SER A 28 36.926 27.815 -3.125 1.00 0.00 H new ATOM 0 HG SER A 28 35.943 25.263 -2.255 1.00 0.00 H new ATOM 419 N ARG A 29 33.745 29.343 -1.816 1.00 0.00 N ATOM 420 CA ARG A 29 32.997 30.615 -1.909 1.00 0.00 C ATOM 421 C ARG A 29 32.645 31.223 -0.547 1.00 0.00 C ATOM 422 O ARG A 29 32.684 32.444 -0.415 1.00 0.00 O ATOM 423 CB ARG A 29 31.744 30.373 -2.769 1.00 0.00 C ATOM 424 CG ARG A 29 30.954 31.629 -3.157 1.00 0.00 C ATOM 425 CD ARG A 29 31.724 32.597 -4.057 1.00 0.00 C ATOM 426 NE ARG A 29 30.820 33.645 -4.582 1.00 0.00 N ATOM 427 CZ ARG A 29 31.040 34.419 -5.632 1.00 0.00 C ATOM 428 NH1 ARG A 29 32.163 34.377 -6.292 1.00 0.00 N ATOM 429 NH2 ARG A 29 30.141 35.259 -6.048 1.00 0.00 N ATOM 0 H ARG A 29 33.137 28.528 -1.899 1.00 0.00 H new ATOM 0 HA ARG A 29 33.641 31.358 -2.379 1.00 0.00 H new ATOM 0 HB2 ARG A 29 32.045 29.859 -3.682 1.00 0.00 H new ATOM 0 HB3 ARG A 29 31.079 29.700 -2.229 1.00 0.00 H new ATOM 0 HG2 ARG A 29 30.039 31.327 -3.666 1.00 0.00 H new ATOM 0 HG3 ARG A 29 30.656 32.153 -2.249 1.00 0.00 H new ATOM 0 HD2 ARG A 29 32.537 33.057 -3.495 1.00 0.00 H new ATOM 0 HD3 ARG A 29 32.178 32.051 -4.884 1.00 0.00 H new ATOM 0 HE ARG A 29 29.940 33.784 -4.085 1.00 0.00 H new ATOM 0 HH11 ARG A 29 32.901 33.735 -6.003 1.00 0.00 H new ATOM 0 HH12 ARG A 29 32.304 34.986 -7.098 1.00 0.00 H new ATOM 0 HH21 ARG A 29 29.247 35.330 -5.563 1.00 0.00 H new ATOM 0 HH22 ARG A 29 30.330 35.847 -6.860 1.00 0.00 H new ATOM 443 N LEU A 30 32.369 30.427 0.489 1.00 0.00 N ATOM 444 CA LEU A 30 32.153 30.944 1.847 1.00 0.00 C ATOM 445 C LEU A 30 33.439 31.566 2.428 1.00 0.00 C ATOM 446 O LEU A 30 33.381 32.610 3.076 1.00 0.00 O ATOM 447 CB LEU A 30 31.572 29.856 2.765 1.00 0.00 C ATOM 448 CG LEU A 30 30.209 29.280 2.331 1.00 0.00 C ATOM 449 CD1 LEU A 30 29.669 28.316 3.386 1.00 0.00 C ATOM 450 CD2 LEU A 30 29.150 30.364 2.106 1.00 0.00 C ATOM 0 H LEU A 30 32.289 29.413 0.414 1.00 0.00 H new ATOM 0 HA LEU A 30 31.417 31.745 1.787 1.00 0.00 H new ATOM 0 HB2 LEU A 30 32.289 29.038 2.828 1.00 0.00 H new ATOM 0 HB3 LEU A 30 31.470 30.269 3.769 1.00 0.00 H new ATOM 0 HG LEU A 30 30.393 28.766 1.388 1.00 0.00 H new ATOM 0 HD11 LEU A 30 28.707 27.921 3.060 1.00 0.00 H new ATOM 0 HD12 LEU A 30 30.372 27.494 3.521 1.00 0.00 H new ATOM 0 HD13 LEU A 30 29.543 28.844 4.331 1.00 0.00 H new ATOM 0 HD21 LEU A 30 28.212 29.899 1.802 1.00 0.00 H new ATOM 0 HD22 LEU A 30 28.996 30.920 3.031 1.00 0.00 H new ATOM 0 HD23 LEU A 30 29.487 31.045 1.325 1.00 0.00 H new ATOM 462 N ILE A 31 34.602 30.988 2.111 1.00 0.00 N ATOM 463 CA ILE A 31 35.927 31.568 2.394 1.00 0.00 C ATOM 464 C ILE A 31 36.217 32.754 1.446 1.00 0.00 C ATOM 465 O ILE A 31 36.824 33.747 1.850 1.00 0.00 O ATOM 466 CB ILE A 31 37.002 30.455 2.291 1.00 0.00 C ATOM 467 CG1 ILE A 31 36.784 29.391 3.397 1.00 0.00 C ATOM 468 CG2 ILE A 31 38.430 31.023 2.395 1.00 0.00 C ATOM 469 CD1 ILE A 31 37.569 28.091 3.175 1.00 0.00 C ATOM 0 H ILE A 31 34.654 30.085 1.640 1.00 0.00 H new ATOM 0 HA ILE A 31 35.948 31.968 3.408 1.00 0.00 H new ATOM 0 HB ILE A 31 36.894 29.992 1.310 1.00 0.00 H new ATOM 0 HG12 ILE A 31 37.071 29.817 4.358 1.00 0.00 H new ATOM 0 HG13 ILE A 31 35.721 29.156 3.457 1.00 0.00 H new ATOM 0 HG21 ILE A 31 39.152 30.210 2.318 1.00 0.00 H new ATOM 0 HG22 ILE A 31 38.598 31.735 1.587 1.00 0.00 H new ATOM 0 HG23 ILE A 31 38.552 31.527 3.354 1.00 0.00 H new ATOM 0 HD11 ILE A 31 37.363 27.398 3.991 1.00 0.00 H new ATOM 0 HD12 ILE A 31 37.266 27.640 2.230 1.00 0.00 H new ATOM 0 HD13 ILE A 31 38.636 28.311 3.146 1.00 0.00 H new ATOM 481 N GLY A 32 35.757 32.669 0.190 1.00 0.00 N ATOM 482 CA GLY A 32 36.056 33.609 -0.893 1.00 0.00 C ATOM 483 C GLY A 32 35.359 34.958 -0.777 1.00 0.00 C ATOM 484 O GLY A 32 35.941 35.998 -1.091 1.00 0.00 O ATOM 0 H GLY A 32 35.142 31.912 -0.109 1.00 0.00 H new ATOM 0 HA2 GLY A 32 37.133 33.774 -0.925 1.00 0.00 H new ATOM 0 HA3 GLY A 32 35.775 33.151 -1.841 1.00 0.00 H new ATOM 488 N THR A 33 34.104 34.933 -0.328 1.00 0.00 N ATOM 489 CA THR A 33 33.273 36.133 -0.113 1.00 0.00 C ATOM 490 C THR A 33 32.155 35.967 0.939 1.00 0.00 C ATOM 491 O THR A 33 31.783 36.948 1.585 1.00 0.00 O ATOM 492 CB THR A 33 32.688 36.589 -1.463 1.00 0.00 C ATOM 493 OG1 THR A 33 32.089 37.861 -1.362 1.00 0.00 O ATOM 494 CG2 THR A 33 31.647 35.612 -2.007 1.00 0.00 C ATOM 0 H THR A 33 33.621 34.065 -0.097 1.00 0.00 H new ATOM 0 HA THR A 33 33.932 36.895 0.303 1.00 0.00 H new ATOM 0 HB THR A 33 33.532 36.628 -2.151 1.00 0.00 H new ATOM 0 HG1 THR A 33 31.729 38.123 -2.235 1.00 0.00 H new ATOM 0 HG21 THR A 33 31.266 35.980 -2.960 1.00 0.00 H new ATOM 0 HG22 THR A 33 32.107 34.634 -2.153 1.00 0.00 H new ATOM 0 HG23 THR A 33 30.825 35.524 -1.297 1.00 0.00 H new ATOM 502 N GLY A 34 31.642 34.745 1.169 1.00 0.00 N ATOM 503 CA GLY A 34 30.635 34.458 2.214 1.00 0.00 C ATOM 504 C GLY A 34 29.201 34.199 1.737 1.00 0.00 C ATOM 505 O GLY A 34 28.300 33.991 2.550 1.00 0.00 O ATOM 0 H GLY A 34 31.915 33.921 0.633 1.00 0.00 H new ATOM 0 HA2 GLY A 34 30.969 33.587 2.778 1.00 0.00 H new ATOM 0 HA3 GLY A 34 30.616 35.298 2.908 1.00 0.00 H new ATOM 509 N SER A 35 28.982 34.169 0.425 1.00 0.00 N ATOM 510 CA SER A 35 27.691 33.890 -0.216 1.00 0.00 C ATOM 511 C SER A 35 27.873 33.410 -1.657 1.00 0.00 C ATOM 512 O SER A 35 28.744 33.880 -2.392 1.00 0.00 O ATOM 513 CB SER A 35 26.765 35.119 -0.174 1.00 0.00 C ATOM 514 OG SER A 35 27.382 36.271 -0.732 1.00 0.00 O ATOM 0 H SER A 35 29.725 34.345 -0.251 1.00 0.00 H new ATOM 0 HA SER A 35 27.219 33.088 0.352 1.00 0.00 H new ATOM 0 HB2 SER A 35 25.847 34.900 -0.719 1.00 0.00 H new ATOM 0 HB3 SER A 35 26.481 35.324 0.858 1.00 0.00 H new ATOM 0 HG SER A 35 26.761 37.028 -0.688 1.00 0.00 H new ATOM 520 N VAL A 36 27.066 32.431 -2.067 1.00 0.00 N ATOM 521 CA VAL A 36 27.051 31.852 -3.420 1.00 0.00 C ATOM 522 C VAL A 36 25.995 32.540 -4.287 1.00 0.00 C ATOM 523 O VAL A 36 24.893 32.831 -3.819 1.00 0.00 O ATOM 524 CB VAL A 36 26.735 30.348 -3.323 1.00 0.00 C ATOM 525 CG1 VAL A 36 26.568 29.686 -4.692 1.00 0.00 C ATOM 526 CG2 VAL A 36 27.842 29.578 -2.600 1.00 0.00 C ATOM 0 H VAL A 36 26.379 32.001 -1.448 1.00 0.00 H new ATOM 0 HA VAL A 36 28.029 31.999 -3.879 1.00 0.00 H new ATOM 0 HB VAL A 36 25.798 30.301 -2.768 1.00 0.00 H new ATOM 0 HG11 VAL A 36 26.347 28.627 -4.559 1.00 0.00 H new ATOM 0 HG12 VAL A 36 25.749 30.163 -5.229 1.00 0.00 H new ATOM 0 HG13 VAL A 36 27.489 29.795 -5.264 1.00 0.00 H new ATOM 0 HG21 VAL A 36 27.579 28.521 -2.553 1.00 0.00 H new ATOM 0 HG22 VAL A 36 28.780 29.695 -3.142 1.00 0.00 H new ATOM 0 HG23 VAL A 36 27.956 29.968 -1.589 1.00 0.00 H new ATOM 536 N ASP A 37 26.295 32.720 -5.574 1.00 0.00 N ATOM 537 CA ASP A 37 25.356 33.187 -6.600 1.00 0.00 C ATOM 538 C ASP A 37 25.293 32.187 -7.764 1.00 0.00 C ATOM 539 O ASP A 37 26.241 31.434 -7.993 1.00 0.00 O ATOM 540 CB ASP A 37 25.769 34.581 -7.105 1.00 0.00 C ATOM 541 CG ASP A 37 26.209 35.541 -5.983 1.00 0.00 C ATOM 542 OD1 ASP A 37 27.420 35.573 -5.646 1.00 0.00 O ATOM 543 OD2 ASP A 37 25.346 36.290 -5.462 1.00 0.00 O ATOM 0 H ASP A 37 27.228 32.539 -5.945 1.00 0.00 H new ATOM 0 HA ASP A 37 24.363 33.260 -6.157 1.00 0.00 H new ATOM 0 HB2 ASP A 37 26.586 34.472 -7.819 1.00 0.00 H new ATOM 0 HB3 ASP A 37 24.932 35.025 -7.644 1.00 0.00 H new ATOM 548 N GLU A 38 24.204 32.191 -8.539 1.00 0.00 N ATOM 549 CA GLU A 38 24.005 31.253 -9.661 1.00 0.00 C ATOM 550 C GLU A 38 25.175 31.265 -10.661 1.00 0.00 C ATOM 551 O GLU A 38 25.615 30.216 -11.134 1.00 0.00 O ATOM 552 CB GLU A 38 22.701 31.622 -10.391 1.00 0.00 C ATOM 553 CG GLU A 38 22.070 30.413 -11.084 1.00 0.00 C ATOM 554 CD GLU A 38 20.992 30.816 -12.111 1.00 0.00 C ATOM 555 OE1 GLU A 38 20.159 31.713 -11.828 1.00 0.00 O ATOM 556 OE2 GLU A 38 20.983 30.236 -13.225 1.00 0.00 O ATOM 0 H GLU A 38 23.431 32.844 -8.410 1.00 0.00 H new ATOM 0 HA GLU A 38 23.950 30.246 -9.246 1.00 0.00 H new ATOM 0 HB2 GLU A 38 21.992 32.041 -9.677 1.00 0.00 H new ATOM 0 HB3 GLU A 38 22.906 32.397 -11.130 1.00 0.00 H new ATOM 0 HG2 GLU A 38 22.849 29.839 -11.586 1.00 0.00 H new ATOM 0 HG3 GLU A 38 21.626 29.759 -10.333 1.00 0.00 H new ATOM 563 N ASP A 39 25.733 32.452 -10.924 1.00 0.00 N ATOM 564 CA ASP A 39 26.860 32.672 -11.836 1.00 0.00 C ATOM 565 C ASP A 39 28.180 32.053 -11.347 1.00 0.00 C ATOM 566 O ASP A 39 29.052 31.751 -12.164 1.00 0.00 O ATOM 567 CB ASP A 39 27.002 34.189 -12.029 1.00 0.00 C ATOM 568 CG ASP A 39 28.073 34.560 -13.064 1.00 0.00 C ATOM 569 OD1 ASP A 39 27.871 34.251 -14.263 1.00 0.00 O ATOM 570 OD2 ASP A 39 29.094 35.184 -12.690 1.00 0.00 O ATOM 0 H ASP A 39 25.401 33.315 -10.493 1.00 0.00 H new ATOM 0 HA ASP A 39 26.649 32.168 -12.779 1.00 0.00 H new ATOM 0 HB2 ASP A 39 26.043 34.602 -12.342 1.00 0.00 H new ATOM 0 HB3 ASP A 39 27.252 34.650 -11.073 1.00 0.00 H new ATOM 575 N PHE A 40 28.320 31.809 -10.037 1.00 0.00 N ATOM 576 CA PHE A 40 29.454 31.066 -9.494 1.00 0.00 C ATOM 577 C PHE A 40 29.298 29.551 -9.697 1.00 0.00 C ATOM 578 O PHE A 40 30.284 28.884 -9.994 1.00 0.00 O ATOM 579 CB PHE A 40 29.642 31.432 -8.014 1.00 0.00 C ATOM 580 CG PHE A 40 30.748 30.649 -7.338 1.00 0.00 C ATOM 581 CD1 PHE A 40 32.095 30.979 -7.579 1.00 0.00 C ATOM 582 CD2 PHE A 40 30.430 29.554 -6.514 1.00 0.00 C ATOM 583 CE1 PHE A 40 33.122 30.218 -6.991 1.00 0.00 C ATOM 584 CE2 PHE A 40 31.455 28.790 -5.935 1.00 0.00 C ATOM 585 CZ PHE A 40 32.802 29.125 -6.168 1.00 0.00 C ATOM 0 H PHE A 40 27.652 32.121 -9.332 1.00 0.00 H new ATOM 0 HA PHE A 40 30.353 31.350 -10.041 1.00 0.00 H new ATOM 0 HB2 PHE A 40 29.860 32.497 -7.935 1.00 0.00 H new ATOM 0 HB3 PHE A 40 28.706 31.258 -7.482 1.00 0.00 H new ATOM 0 HD1 PHE A 40 32.340 31.816 -8.215 1.00 0.00 H new ATOM 0 HD2 PHE A 40 29.397 29.301 -6.327 1.00 0.00 H new ATOM 0 HE1 PHE A 40 34.156 30.474 -7.172 1.00 0.00 H new ATOM 0 HE2 PHE A 40 31.210 27.944 -5.310 1.00 0.00 H new ATOM 0 HZ PHE A 40 33.590 28.542 -5.714 1.00 0.00 H new ATOM 595 N LEU A 41 28.085 28.988 -9.576 1.00 0.00 N ATOM 596 CA LEU A 41 27.872 27.529 -9.608 1.00 0.00 C ATOM 597 C LEU A 41 27.664 26.948 -11.012 1.00 0.00 C ATOM 598 O LEU A 41 28.031 25.797 -11.244 1.00 0.00 O ATOM 599 CB LEU A 41 26.703 27.160 -8.670 1.00 0.00 C ATOM 600 CG LEU A 41 27.058 27.068 -7.175 1.00 0.00 C ATOM 601 CD1 LEU A 41 25.838 26.531 -6.423 1.00 0.00 C ATOM 602 CD2 LEU A 41 28.239 26.142 -6.870 1.00 0.00 C ATOM 0 H LEU A 41 27.227 29.527 -9.454 1.00 0.00 H new ATOM 0 HA LEU A 41 28.796 27.071 -9.255 1.00 0.00 H new ATOM 0 HB2 LEU A 41 25.913 27.901 -8.793 1.00 0.00 H new ATOM 0 HB3 LEU A 41 26.293 26.201 -8.988 1.00 0.00 H new ATOM 0 HG LEU A 41 27.345 28.071 -6.861 1.00 0.00 H new ATOM 0 HD11 LEU A 41 26.069 26.458 -5.360 1.00 0.00 H new ATOM 0 HD12 LEU A 41 24.996 27.208 -6.566 1.00 0.00 H new ATOM 0 HD13 LEU A 41 25.579 25.544 -6.807 1.00 0.00 H new ATOM 0 HD21 LEU A 41 28.426 26.132 -5.796 1.00 0.00 H new ATOM 0 HD22 LEU A 41 28.006 25.132 -7.207 1.00 0.00 H new ATOM 0 HD23 LEU A 41 29.127 26.502 -7.389 1.00 0.00 H new ATOM 614 N ARG A 42 27.140 27.723 -11.968 1.00 0.00 N ATOM 615 CA ARG A 42 26.957 27.260 -13.365 1.00 0.00 C ATOM 616 C ARG A 42 28.253 26.804 -14.050 1.00 0.00 C ATOM 617 O ARG A 42 28.221 25.918 -14.897 1.00 0.00 O ATOM 618 CB ARG A 42 26.232 28.341 -14.182 1.00 0.00 C ATOM 619 CG ARG A 42 27.046 29.637 -14.329 1.00 0.00 C ATOM 620 CD ARG A 42 26.301 30.675 -15.178 1.00 0.00 C ATOM 621 NE ARG A 42 27.179 31.812 -15.510 1.00 0.00 N ATOM 622 CZ ARG A 42 28.028 31.932 -16.513 1.00 0.00 C ATOM 623 NH1 ARG A 42 28.188 31.020 -17.433 1.00 0.00 N ATOM 624 NH2 ARG A 42 28.742 33.014 -16.580 1.00 0.00 N ATOM 0 H ARG A 42 26.831 28.681 -11.807 1.00 0.00 H new ATOM 0 HA ARG A 42 26.338 26.364 -13.320 1.00 0.00 H new ATOM 0 HB2 ARG A 42 26.006 27.947 -15.173 1.00 0.00 H new ATOM 0 HB3 ARG A 42 25.279 28.570 -13.705 1.00 0.00 H new ATOM 0 HG2 ARG A 42 27.252 30.052 -13.343 1.00 0.00 H new ATOM 0 HG3 ARG A 42 28.009 29.413 -14.788 1.00 0.00 H new ATOM 0 HD2 ARG A 42 25.940 30.209 -16.095 1.00 0.00 H new ATOM 0 HD3 ARG A 42 25.425 31.033 -14.636 1.00 0.00 H new ATOM 0 HE ARG A 42 27.123 32.613 -14.880 1.00 0.00 H new ATOM 0 HH11 ARG A 42 27.641 30.160 -17.399 1.00 0.00 H new ATOM 0 HH12 ARG A 42 28.860 31.168 -18.186 1.00 0.00 H new ATOM 0 HH21 ARG A 42 28.637 33.739 -15.870 1.00 0.00 H new ATOM 0 HH22 ARG A 42 29.408 33.139 -17.342 1.00 0.00 H new ATOM 638 N GLU A 43 29.399 27.349 -13.633 1.00 0.00 N ATOM 639 CA GLU A 43 30.734 26.929 -14.095 1.00 0.00 C ATOM 640 C GLU A 43 31.356 25.787 -13.259 1.00 0.00 C ATOM 641 O GLU A 43 32.511 25.426 -13.482 1.00 0.00 O ATOM 642 CB GLU A 43 31.653 28.162 -14.227 1.00 0.00 C ATOM 643 CG GLU A 43 31.801 28.975 -12.937 1.00 0.00 C ATOM 644 CD GLU A 43 32.980 29.960 -13.006 1.00 0.00 C ATOM 645 OE1 GLU A 43 32.971 30.885 -13.856 1.00 0.00 O ATOM 646 OE2 GLU A 43 33.931 29.805 -12.200 1.00 0.00 O ATOM 0 H GLU A 43 29.431 28.108 -12.953 1.00 0.00 H new ATOM 0 HA GLU A 43 30.616 26.485 -15.084 1.00 0.00 H new ATOM 0 HB2 GLU A 43 32.640 27.833 -14.551 1.00 0.00 H new ATOM 0 HB3 GLU A 43 31.261 28.811 -15.010 1.00 0.00 H new ATOM 0 HG2 GLU A 43 30.880 29.526 -12.748 1.00 0.00 H new ATOM 0 HG3 GLU A 43 31.945 28.297 -12.096 1.00 0.00 H new ATOM 653 N GLN A 44 30.629 25.196 -12.295 1.00 0.00 N ATOM 654 CA GLN A 44 31.156 24.233 -11.305 1.00 0.00 C ATOM 655 C GLN A 44 30.356 22.921 -11.222 1.00 0.00 C ATOM 656 O GLN A 44 30.811 21.979 -10.576 1.00 0.00 O ATOM 657 CB GLN A 44 31.186 24.894 -9.912 1.00 0.00 C ATOM 658 CG GLN A 44 31.977 26.207 -9.876 1.00 0.00 C ATOM 659 CD GLN A 44 33.465 26.062 -10.197 1.00 0.00 C ATOM 660 OE1 GLN A 44 34.100 25.044 -9.957 1.00 0.00 O ATOM 661 NE2 GLN A 44 34.086 27.084 -10.744 1.00 0.00 N ATOM 0 H GLN A 44 29.632 25.378 -12.177 1.00 0.00 H new ATOM 0 HA GLN A 44 32.158 23.967 -11.641 1.00 0.00 H new ATOM 0 HB2 GLN A 44 30.163 25.086 -9.587 1.00 0.00 H new ATOM 0 HB3 GLN A 44 31.622 24.197 -9.197 1.00 0.00 H new ATOM 0 HG2 GLN A 44 31.532 26.904 -10.586 1.00 0.00 H new ATOM 0 HG3 GLN A 44 31.874 26.651 -8.886 1.00 0.00 H new ATOM 0 HE21 GLN A 44 33.573 27.941 -10.951 1.00 0.00 H new ATOM 0 HE22 GLN A 44 35.081 27.020 -10.961 1.00 0.00 H new ATOM 670 N ILE A 45 29.189 22.832 -11.883 1.00 0.00 N ATOM 671 CA ILE A 45 28.370 21.610 -11.983 1.00 0.00 C ATOM 672 C ILE A 45 29.179 20.415 -12.493 1.00 0.00 C ATOM 673 O ILE A 45 29.318 19.420 -11.786 1.00 0.00 O ATOM 674 CB ILE A 45 27.117 21.810 -12.876 1.00 0.00 C ATOM 675 CG1 ILE A 45 27.235 22.897 -13.970 1.00 0.00 C ATOM 676 CG2 ILE A 45 25.926 22.139 -11.975 1.00 0.00 C ATOM 677 CD1 ILE A 45 26.211 22.751 -15.103 1.00 0.00 C ATOM 0 H ILE A 45 28.779 23.626 -12.374 1.00 0.00 H new ATOM 0 HA ILE A 45 28.036 21.396 -10.968 1.00 0.00 H new ATOM 0 HB ILE A 45 26.992 20.873 -13.419 1.00 0.00 H new ATOM 0 HG12 ILE A 45 27.115 23.877 -13.509 1.00 0.00 H new ATOM 0 HG13 ILE A 45 28.239 22.865 -14.394 1.00 0.00 H new ATOM 0 HG21 ILE A 45 25.036 22.283 -12.587 1.00 0.00 H new ATOM 0 HG22 ILE A 45 25.759 21.317 -11.279 1.00 0.00 H new ATOM 0 HG23 ILE A 45 26.134 23.052 -11.416 1.00 0.00 H new ATOM 0 HD11 ILE A 45 26.357 23.549 -15.831 1.00 0.00 H new ATOM 0 HD12 ILE A 45 26.344 21.786 -15.592 1.00 0.00 H new ATOM 0 HD13 ILE A 45 25.203 22.814 -14.693 1.00 0.00 H new ATOM 735 N ARG A 49 22.580 18.757 -14.318 1.00 0.00 N ATOM 736 CA ARG A 49 21.704 19.752 -14.944 1.00 0.00 C ATOM 737 C ARG A 49 21.586 20.972 -14.039 1.00 0.00 C ATOM 738 O ARG A 49 21.872 22.085 -14.487 1.00 0.00 O ATOM 739 CB ARG A 49 20.320 19.135 -15.249 1.00 0.00 C ATOM 740 CG ARG A 49 19.944 19.154 -16.738 1.00 0.00 C ATOM 741 CD ARG A 49 20.970 18.526 -17.698 1.00 0.00 C ATOM 742 NE ARG A 49 21.534 17.250 -17.205 1.00 0.00 N ATOM 743 CZ ARG A 49 22.294 16.403 -17.871 1.00 0.00 C ATOM 744 NH1 ARG A 49 22.545 16.542 -19.144 1.00 0.00 N ATOM 745 NH2 ARG A 49 22.827 15.391 -17.251 1.00 0.00 N ATOM 0 HA ARG A 49 22.136 20.071 -15.892 1.00 0.00 H new ATOM 0 HB2 ARG A 49 20.307 18.104 -14.894 1.00 0.00 H new ATOM 0 HB3 ARG A 49 19.560 19.676 -14.686 1.00 0.00 H new ATOM 0 HG2 ARG A 49 18.995 18.633 -16.860 1.00 0.00 H new ATOM 0 HG3 ARG A 49 19.780 20.189 -17.038 1.00 0.00 H new ATOM 0 HD2 ARG A 49 20.495 18.355 -18.664 1.00 0.00 H new ATOM 0 HD3 ARG A 49 21.782 19.234 -17.863 1.00 0.00 H new ATOM 0 HE ARG A 49 21.310 16.997 -16.243 1.00 0.00 H new ATOM 0 HH11 ARG A 49 22.148 17.328 -19.659 1.00 0.00 H new ATOM 0 HH12 ARG A 49 23.138 15.865 -19.624 1.00 0.00 H new ATOM 0 HH21 ARG A 49 22.656 15.256 -16.255 1.00 0.00 H new ATOM 0 HH22 ARG A 49 23.416 14.733 -17.761 1.00 0.00 H new ATOM 759 N TYR A 50 21.211 20.771 -12.770 1.00 0.00 N ATOM 760 CA TYR A 50 20.870 21.861 -11.852 1.00 0.00 C ATOM 761 C TYR A 50 21.609 21.730 -10.510 1.00 0.00 C ATOM 762 O TYR A 50 21.538 20.685 -9.867 1.00 0.00 O ATOM 763 CB TYR A 50 19.339 21.844 -11.627 1.00 0.00 C ATOM 764 CG TYR A 50 18.480 21.558 -12.854 1.00 0.00 C ATOM 765 CD1 TYR A 50 18.701 22.257 -14.055 1.00 0.00 C ATOM 766 CD2 TYR A 50 17.459 20.587 -12.801 1.00 0.00 C ATOM 767 CE1 TYR A 50 17.920 21.993 -15.195 1.00 0.00 C ATOM 768 CE2 TYR A 50 16.668 20.319 -13.938 1.00 0.00 C ATOM 769 CZ TYR A 50 16.897 21.025 -15.138 1.00 0.00 C ATOM 770 OH TYR A 50 16.138 20.781 -16.240 1.00 0.00 O ATOM 0 H TYR A 50 21.136 19.844 -12.351 1.00 0.00 H new ATOM 0 HA TYR A 50 21.181 22.808 -12.293 1.00 0.00 H new ATOM 0 HB2 TYR A 50 19.113 21.095 -10.869 1.00 0.00 H new ATOM 0 HB3 TYR A 50 19.042 22.810 -11.219 1.00 0.00 H new ATOM 0 HD1 TYR A 50 19.479 23.005 -14.102 1.00 0.00 H new ATOM 0 HD2 TYR A 50 17.281 20.045 -11.884 1.00 0.00 H new ATOM 0 HE1 TYR A 50 18.104 22.531 -16.113 1.00 0.00 H new ATOM 0 HE2 TYR A 50 15.888 19.574 -13.890 1.00 0.00 H new ATOM 0 HH TYR A 50 15.478 20.086 -16.035 1.00 0.00 H new ATOM 780 N ALA A 51 22.308 22.775 -10.057 1.00 0.00 N ATOM 781 CA ALA A 51 22.862 22.854 -8.692 1.00 0.00 C ATOM 782 C ALA A 51 21.993 23.790 -7.827 1.00 0.00 C ATOM 783 O ALA A 51 21.437 24.756 -8.347 1.00 0.00 O ATOM 784 CB ALA A 51 24.329 23.293 -8.753 1.00 0.00 C ATOM 0 H ALA A 51 22.509 23.597 -10.626 1.00 0.00 H new ATOM 0 HA ALA A 51 22.841 21.872 -8.219 1.00 0.00 H new ATOM 0 HB1 ALA A 51 24.734 23.350 -7.743 1.00 0.00 H new ATOM 0 HB2 ALA A 51 24.902 22.569 -9.333 1.00 0.00 H new ATOM 0 HB3 ALA A 51 24.396 24.272 -9.227 1.00 0.00 H new ATOM 790 N VAL A 52 21.838 23.522 -6.526 1.00 0.00 N ATOM 791 CA VAL A 52 20.875 24.220 -5.646 1.00 0.00 C ATOM 792 C VAL A 52 21.480 24.506 -4.265 1.00 0.00 C ATOM 793 O VAL A 52 22.169 23.666 -3.683 1.00 0.00 O ATOM 794 CB VAL A 52 19.560 23.416 -5.526 1.00 0.00 C ATOM 795 CG1 VAL A 52 18.556 24.101 -4.587 1.00 0.00 C ATOM 796 CG2 VAL A 52 18.885 23.211 -6.890 1.00 0.00 C ATOM 0 H VAL A 52 22.381 22.807 -6.042 1.00 0.00 H new ATOM 0 HA VAL A 52 20.643 25.182 -6.103 1.00 0.00 H new ATOM 0 HB VAL A 52 19.842 22.447 -5.114 1.00 0.00 H new ATOM 0 HG11 VAL A 52 17.646 23.504 -4.530 1.00 0.00 H new ATOM 0 HG12 VAL A 52 18.992 24.193 -3.592 1.00 0.00 H new ATOM 0 HG13 VAL A 52 18.317 25.093 -4.971 1.00 0.00 H new ATOM 0 HG21 VAL A 52 17.965 22.642 -6.759 1.00 0.00 H new ATOM 0 HG22 VAL A 52 18.652 24.181 -7.330 1.00 0.00 H new ATOM 0 HG23 VAL A 52 19.558 22.665 -7.551 1.00 0.00 H new ATOM 806 N ILE A 53 21.201 25.699 -3.732 1.00 0.00 N ATOM 807 CA ILE A 53 21.796 26.245 -2.500 1.00 0.00 C ATOM 808 C ILE A 53 20.802 26.368 -1.345 1.00 0.00 C ATOM 809 O ILE A 53 19.734 26.955 -1.481 1.00 0.00 O ATOM 810 CB ILE A 53 22.473 27.595 -2.831 1.00 0.00 C ATOM 811 CG1 ILE A 53 23.874 27.345 -3.419 1.00 0.00 C ATOM 812 CG2 ILE A 53 22.552 28.611 -1.669 1.00 0.00 C ATOM 813 CD1 ILE A 53 24.915 26.903 -2.379 1.00 0.00 C ATOM 0 H ILE A 53 20.530 26.338 -4.159 1.00 0.00 H new ATOM 0 HA ILE A 53 22.544 25.537 -2.142 1.00 0.00 H new ATOM 0 HB ILE A 53 21.818 28.069 -3.562 1.00 0.00 H new ATOM 0 HG12 ILE A 53 23.801 26.581 -4.193 1.00 0.00 H new ATOM 0 HG13 ILE A 53 24.223 28.257 -3.903 1.00 0.00 H new ATOM 0 HG21 ILE A 53 23.045 29.520 -2.013 1.00 0.00 H new ATOM 0 HG22 ILE A 53 21.545 28.851 -1.327 1.00 0.00 H new ATOM 0 HG23 ILE A 53 23.121 28.179 -0.846 1.00 0.00 H new ATOM 0 HD11 ILE A 53 25.876 26.747 -2.870 1.00 0.00 H new ATOM 0 HD12 ILE A 53 25.018 27.675 -1.617 1.00 0.00 H new ATOM 0 HD13 ILE A 53 24.591 25.973 -1.912 1.00 0.00 H new ATOM 825 N ARG A 54 21.225 25.887 -0.173 1.00 0.00 N ATOM 826 CA ARG A 54 20.481 25.911 1.102 1.00 0.00 C ATOM 827 C ARG A 54 21.427 26.215 2.267 1.00 0.00 C ATOM 828 O ARG A 54 21.405 25.579 3.317 1.00 0.00 O ATOM 829 CB ARG A 54 19.756 24.564 1.193 1.00 0.00 C ATOM 830 CG ARG A 54 18.872 24.265 2.417 1.00 0.00 C ATOM 831 CD ARG A 54 18.050 25.459 2.923 1.00 0.00 C ATOM 832 NE ARG A 54 17.392 25.150 4.208 1.00 0.00 N ATOM 833 CZ ARG A 54 17.952 25.093 5.405 1.00 0.00 C ATOM 834 NH1 ARG A 54 19.235 25.263 5.595 1.00 0.00 N ATOM 835 NH2 ARG A 54 17.219 24.850 6.453 1.00 0.00 N ATOM 0 H ARG A 54 22.140 25.447 -0.076 1.00 0.00 H new ATOM 0 HA ARG A 54 19.739 26.708 1.152 1.00 0.00 H new ATOM 0 HB2 ARG A 54 19.130 24.468 0.306 1.00 0.00 H new ATOM 0 HB3 ARG A 54 20.512 23.781 1.136 1.00 0.00 H new ATOM 0 HG2 ARG A 54 18.190 23.453 2.166 1.00 0.00 H new ATOM 0 HG3 ARG A 54 19.507 23.909 3.228 1.00 0.00 H new ATOM 0 HD2 ARG A 54 18.700 26.326 3.044 1.00 0.00 H new ATOM 0 HD3 ARG A 54 17.297 25.726 2.181 1.00 0.00 H new ATOM 0 HE ARG A 54 16.391 24.959 4.168 1.00 0.00 H new ATOM 0 HH11 ARG A 54 19.848 25.448 4.801 1.00 0.00 H new ATOM 0 HH12 ARG A 54 19.622 25.210 6.537 1.00 0.00 H new ATOM 0 HH21 ARG A 54 16.215 24.704 6.350 1.00 0.00 H new ATOM 0 HH22 ARG A 54 17.649 24.806 7.377 1.00 0.00 H new ATOM 849 N ILE A 55 22.260 27.226 2.062 1.00 0.00 N ATOM 850 CA ILE A 55 23.111 27.802 3.128 1.00 0.00 C ATOM 851 C ILE A 55 22.206 28.487 4.183 1.00 0.00 C ATOM 852 O ILE A 55 21.405 29.343 3.801 1.00 0.00 O ATOM 853 CB ILE A 55 24.118 28.825 2.533 1.00 0.00 C ATOM 854 CG1 ILE A 55 25.123 28.183 1.550 1.00 0.00 C ATOM 855 CG2 ILE A 55 24.900 29.533 3.660 1.00 0.00 C ATOM 856 CD1 ILE A 55 25.696 29.182 0.544 1.00 0.00 C ATOM 0 H ILE A 55 22.375 27.680 1.156 1.00 0.00 H new ATOM 0 HA ILE A 55 23.684 27.004 3.601 1.00 0.00 H new ATOM 0 HB ILE A 55 23.522 29.546 1.974 1.00 0.00 H new ATOM 0 HG12 ILE A 55 25.941 27.736 2.115 1.00 0.00 H new ATOM 0 HG13 ILE A 55 24.629 27.375 1.010 1.00 0.00 H new ATOM 0 HG21 ILE A 55 25.600 30.246 3.225 1.00 0.00 H new ATOM 0 HG22 ILE A 55 24.203 30.061 4.311 1.00 0.00 H new ATOM 0 HG23 ILE A 55 25.450 28.793 4.242 1.00 0.00 H new ATOM 0 HD11 ILE A 55 26.395 28.671 -0.118 1.00 0.00 H new ATOM 0 HD12 ILE A 55 24.885 29.611 -0.045 1.00 0.00 H new ATOM 0 HD13 ILE A 55 26.217 29.977 1.077 1.00 0.00 H new ATOM 868 N PRO A 56 22.329 28.178 5.491 1.00 0.00 N ATOM 869 CA PRO A 56 21.606 28.887 6.549 1.00 0.00 C ATOM 870 C PRO A 56 21.912 30.395 6.571 1.00 0.00 C ATOM 871 O PRO A 56 23.068 30.813 6.476 1.00 0.00 O ATOM 872 CB PRO A 56 22.016 28.219 7.867 1.00 0.00 C ATOM 873 CG PRO A 56 22.450 26.819 7.440 1.00 0.00 C ATOM 874 CD PRO A 56 23.066 27.060 6.064 1.00 0.00 C ATOM 0 HA PRO A 56 20.531 28.820 6.380 1.00 0.00 H new ATOM 0 HB2 PRO A 56 22.828 28.759 8.355 1.00 0.00 H new ATOM 0 HB3 PRO A 56 21.187 28.184 8.574 1.00 0.00 H new ATOM 0 HG2 PRO A 56 23.170 26.389 8.136 1.00 0.00 H new ATOM 0 HG3 PRO A 56 21.606 26.131 7.390 1.00 0.00 H new ATOM 0 HD2 PRO A 56 24.128 27.292 6.146 1.00 0.00 H new ATOM 0 HD3 PRO A 56 22.981 26.173 5.437 1.00 0.00 H new ATOM 882 N GLY A 57 20.871 31.217 6.713 1.00 0.00 N ATOM 883 CA GLY A 57 20.976 32.674 6.855 1.00 0.00 C ATOM 884 C GLY A 57 21.068 33.461 5.541 1.00 0.00 C ATOM 885 O GLY A 57 21.160 34.690 5.596 1.00 0.00 O ATOM 0 H GLY A 57 19.908 30.882 6.733 1.00 0.00 H new ATOM 0 HA2 GLY A 57 20.109 33.031 7.412 1.00 0.00 H new ATOM 0 HA3 GLY A 57 21.857 32.900 7.456 1.00 0.00 H new ATOM 889 N GLN A 58 21.023 32.802 4.372 1.00 0.00 N ATOM 890 CA GLN A 58 20.973 33.474 3.061 1.00 0.00 C ATOM 891 C GLN A 58 19.946 32.861 2.081 1.00 0.00 C ATOM 892 O GLN A 58 19.507 31.725 2.283 1.00 0.00 O ATOM 893 CB GLN A 58 22.394 33.564 2.479 1.00 0.00 C ATOM 894 CG GLN A 58 22.928 32.286 1.826 1.00 0.00 C ATOM 895 CD GLN A 58 24.386 32.450 1.391 1.00 0.00 C ATOM 896 OE1 GLN A 58 24.746 32.337 0.228 1.00 0.00 O ATOM 897 NE2 GLN A 58 25.285 32.726 2.313 1.00 0.00 N ATOM 0 H GLN A 58 21.020 31.784 4.308 1.00 0.00 H new ATOM 0 HA GLN A 58 20.599 34.486 3.217 1.00 0.00 H new ATOM 0 HB2 GLN A 58 22.413 34.363 1.738 1.00 0.00 H new ATOM 0 HB3 GLN A 58 23.076 33.854 3.278 1.00 0.00 H new ATOM 0 HG2 GLN A 58 22.847 31.456 2.527 1.00 0.00 H new ATOM 0 HG3 GLN A 58 22.315 32.034 0.961 1.00 0.00 H new ATOM 0 HE21 GLN A 58 25.002 32.824 3.288 1.00 0.00 H new ATOM 0 HE22 GLN A 58 26.264 32.842 2.052 1.00 0.00 H new ATOM 906 N PRO A 59 19.557 33.591 1.013 1.00 0.00 N ATOM 907 CA PRO A 59 18.557 33.139 0.043 1.00 0.00 C ATOM 908 C PRO A 59 18.940 31.864 -0.723 1.00 0.00 C ATOM 909 O PRO A 59 20.091 31.680 -1.127 1.00 0.00 O ATOM 910 CB PRO A 59 18.364 34.303 -0.940 1.00 0.00 C ATOM 911 CG PRO A 59 18.821 35.528 -0.155 1.00 0.00 C ATOM 912 CD PRO A 59 19.931 34.973 0.732 1.00 0.00 C ATOM 0 HA PRO A 59 17.647 32.872 0.581 1.00 0.00 H new ATOM 0 HB2 PRO A 59 18.957 34.164 -1.844 1.00 0.00 H new ATOM 0 HB3 PRO A 59 17.323 34.394 -1.252 1.00 0.00 H new ATOM 0 HG2 PRO A 59 19.187 36.316 -0.813 1.00 0.00 H new ATOM 0 HG3 PRO A 59 18.010 35.956 0.434 1.00 0.00 H new ATOM 0 HD2 PRO A 59 20.896 35.023 0.229 1.00 0.00 H new ATOM 0 HD3 PRO A 59 20.022 35.549 1.653 1.00 0.00 H new ATOM 920 N VAL A 60 17.948 31.007 -0.985 1.00 0.00 N ATOM 921 CA VAL A 60 18.083 29.853 -1.891 1.00 0.00 C ATOM 922 C VAL A 60 18.248 30.330 -3.338 1.00 0.00 C ATOM 923 O VAL A 60 17.470 31.145 -3.841 1.00 0.00 O ATOM 924 CB VAL A 60 16.917 28.842 -1.747 1.00 0.00 C ATOM 925 CG1 VAL A 60 15.534 29.507 -1.716 1.00 0.00 C ATOM 926 CG2 VAL A 60 16.871 27.790 -2.869 1.00 0.00 C ATOM 0 H VAL A 60 17.019 31.092 -0.572 1.00 0.00 H new ATOM 0 HA VAL A 60 18.984 29.312 -1.602 1.00 0.00 H new ATOM 0 HB VAL A 60 17.130 28.363 -0.791 1.00 0.00 H new ATOM 0 HG11 VAL A 60 14.765 28.742 -1.614 1.00 0.00 H new ATOM 0 HG12 VAL A 60 15.479 30.193 -0.870 1.00 0.00 H new ATOM 0 HG13 VAL A 60 15.375 30.060 -2.642 1.00 0.00 H new ATOM 0 HG21 VAL A 60 16.030 27.117 -2.702 1.00 0.00 H new ATOM 0 HG22 VAL A 60 16.752 28.289 -3.831 1.00 0.00 H new ATOM 0 HG23 VAL A 60 17.799 27.218 -2.870 1.00 0.00 H new ATOM 936 N VAL A 61 19.264 29.788 -4.009 1.00 0.00 N ATOM 937 CA VAL A 61 19.514 29.962 -5.446 1.00 0.00 C ATOM 938 C VAL A 61 19.579 28.608 -6.159 1.00 0.00 C ATOM 939 O VAL A 61 19.978 27.603 -5.570 1.00 0.00 O ATOM 940 CB VAL A 61 20.724 30.888 -5.672 1.00 0.00 C ATOM 941 CG1 VAL A 61 22.068 30.325 -5.203 1.00 0.00 C ATOM 942 CG2 VAL A 61 20.852 31.318 -7.135 1.00 0.00 C ATOM 0 H VAL A 61 19.960 29.196 -3.556 1.00 0.00 H new ATOM 0 HA VAL A 61 18.674 30.475 -5.914 1.00 0.00 H new ATOM 0 HB VAL A 61 20.503 31.750 -5.042 1.00 0.00 H new ATOM 0 HG11 VAL A 61 22.857 31.050 -5.405 1.00 0.00 H new ATOM 0 HG12 VAL A 61 22.025 30.125 -4.132 1.00 0.00 H new ATOM 0 HG13 VAL A 61 22.281 29.399 -5.737 1.00 0.00 H new ATOM 0 HG21 VAL A 61 21.718 31.970 -7.248 1.00 0.00 H new ATOM 0 HG22 VAL A 61 20.977 30.436 -7.764 1.00 0.00 H new ATOM 0 HG23 VAL A 61 19.952 31.855 -7.437 1.00 0.00 H new ATOM 952 N GLU A 62 19.138 28.569 -7.415 1.00 0.00 N ATOM 953 CA GLU A 62 18.927 27.356 -8.218 1.00 0.00 C ATOM 954 C GLU A 62 19.492 27.588 -9.633 1.00 0.00 C ATOM 955 O GLU A 62 19.065 28.502 -10.342 1.00 0.00 O ATOM 956 CB GLU A 62 17.417 27.044 -8.301 1.00 0.00 C ATOM 957 CG GLU A 62 16.765 26.710 -6.952 1.00 0.00 C ATOM 958 CD GLU A 62 15.232 26.635 -7.072 1.00 0.00 C ATOM 959 OE1 GLU A 62 14.563 27.696 -7.109 1.00 0.00 O ATOM 960 OE2 GLU A 62 14.663 25.517 -7.104 1.00 0.00 O ATOM 0 H GLU A 62 18.906 29.419 -7.928 1.00 0.00 H new ATOM 0 HA GLU A 62 19.437 26.512 -7.754 1.00 0.00 H new ATOM 0 HB2 GLU A 62 16.904 27.902 -8.736 1.00 0.00 H new ATOM 0 HB3 GLU A 62 17.268 26.205 -8.981 1.00 0.00 H new ATOM 0 HG2 GLU A 62 17.150 25.758 -6.586 1.00 0.00 H new ATOM 0 HG3 GLU A 62 17.037 27.468 -6.217 1.00 0.00 H new ATOM 967 N VAL A 63 20.472 26.780 -10.040 1.00 0.00 N ATOM 968 CA VAL A 63 21.239 26.910 -11.289 1.00 0.00 C ATOM 969 C VAL A 63 20.584 26.136 -12.440 1.00 0.00 C ATOM 970 O VAL A 63 19.892 25.145 -12.212 1.00 0.00 O ATOM 971 CB VAL A 63 22.676 26.426 -11.023 1.00 0.00 C ATOM 972 CG1 VAL A 63 23.622 26.551 -12.215 1.00 0.00 C ATOM 973 CG2 VAL A 63 23.343 27.157 -9.853 1.00 0.00 C ATOM 0 H VAL A 63 20.770 25.978 -9.485 1.00 0.00 H new ATOM 0 HA VAL A 63 21.256 27.954 -11.601 1.00 0.00 H new ATOM 0 HB VAL A 63 22.529 25.371 -10.793 1.00 0.00 H new ATOM 0 HG11 VAL A 63 24.610 26.187 -11.935 1.00 0.00 H new ATOM 0 HG12 VAL A 63 23.239 25.959 -13.047 1.00 0.00 H new ATOM 0 HG13 VAL A 63 23.692 27.596 -12.516 1.00 0.00 H new ATOM 0 HG21 VAL A 63 24.354 26.774 -9.713 1.00 0.00 H new ATOM 0 HG22 VAL A 63 23.387 28.225 -10.068 1.00 0.00 H new ATOM 0 HG23 VAL A 63 22.764 26.994 -8.944 1.00 0.00 H new ATOM 983 N GLY A 64 20.837 26.537 -13.690 1.00 0.00 N ATOM 984 CA GLY A 64 20.372 25.819 -14.880 1.00 0.00 C ATOM 985 C GLY A 64 18.889 26.066 -15.180 1.00 0.00 C ATOM 986 O GLY A 64 18.549 26.973 -15.941 1.00 0.00 O ATOM 0 H GLY A 64 21.375 27.376 -13.906 1.00 0.00 H new ATOM 0 HA2 GLY A 64 20.968 26.125 -15.740 1.00 0.00 H new ATOM 0 HA3 GLY A 64 20.537 24.750 -14.742 1.00 0.00 H new ATOM 990 N THR A 65 17.991 25.255 -14.614 1.00 0.00 N ATOM 991 CA THR A 65 16.522 25.432 -14.678 1.00 0.00 C ATOM 992 C THR A 65 15.871 24.760 -13.458 1.00 0.00 C ATOM 993 O THR A 65 16.433 23.833 -12.881 1.00 0.00 O ATOM 994 CB THR A 65 15.943 24.856 -15.994 1.00 0.00 C ATOM 995 OG1 THR A 65 16.561 25.469 -17.108 1.00 0.00 O ATOM 996 CG2 THR A 65 14.443 25.085 -16.187 1.00 0.00 C ATOM 0 H THR A 65 18.266 24.430 -14.081 1.00 0.00 H new ATOM 0 HA THR A 65 16.298 26.499 -14.663 1.00 0.00 H new ATOM 0 HB THR A 65 16.133 23.785 -15.922 1.00 0.00 H new ATOM 0 HG1 THR A 65 17.198 26.146 -16.797 1.00 0.00 H new ATOM 0 HG21 THR A 65 14.127 24.648 -17.134 1.00 0.00 H new ATOM 0 HG22 THR A 65 13.895 24.615 -15.370 1.00 0.00 H new ATOM 0 HG23 THR A 65 14.236 26.155 -16.194 1.00 0.00 H new ATOM 1004 N LYS A 66 14.688 25.210 -13.029 1.00 0.00 N ATOM 1005 CA LYS A 66 13.962 24.602 -11.904 1.00 0.00 C ATOM 1006 C LYS A 66 13.351 23.242 -12.316 1.00 0.00 C ATOM 1007 O LYS A 66 12.613 23.193 -13.306 1.00 0.00 O ATOM 1008 CB LYS A 66 12.910 25.588 -11.368 1.00 0.00 C ATOM 1009 CG LYS A 66 12.373 25.142 -10.001 1.00 0.00 C ATOM 1010 CD LYS A 66 11.353 26.145 -9.445 1.00 0.00 C ATOM 1011 CE LYS A 66 10.911 25.771 -8.024 1.00 0.00 C ATOM 1012 NZ LYS A 66 11.933 26.130 -7.003 1.00 0.00 N ATOM 0 H LYS A 66 14.205 26.004 -13.449 1.00 0.00 H new ATOM 0 HA LYS A 66 14.658 24.394 -11.092 1.00 0.00 H new ATOM 0 HB2 LYS A 66 13.350 26.581 -11.282 1.00 0.00 H new ATOM 0 HB3 LYS A 66 12.086 25.665 -12.077 1.00 0.00 H new ATOM 0 HG2 LYS A 66 11.907 24.161 -10.094 1.00 0.00 H new ATOM 0 HG3 LYS A 66 13.201 25.037 -9.300 1.00 0.00 H new ATOM 0 HD2 LYS A 66 11.789 27.144 -9.440 1.00 0.00 H new ATOM 0 HD3 LYS A 66 10.483 26.181 -10.100 1.00 0.00 H new ATOM 0 HE2 LYS A 66 9.974 26.278 -7.792 1.00 0.00 H new ATOM 0 HE3 LYS A 66 10.714 24.700 -7.977 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 11.672 25.711 -6.088 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 12.861 25.766 -7.298 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 11.981 27.165 -6.909 1.00 0.00 H new ATOM 1026 N PRO A 67 13.636 22.141 -11.592 1.00 0.00 N ATOM 1027 CA PRO A 67 13.195 20.793 -11.945 1.00 0.00 C ATOM 1028 C PRO A 67 11.708 20.518 -11.677 1.00 0.00 C ATOM 1029 O PRO A 67 11.074 21.115 -10.805 1.00 0.00 O ATOM 1030 CB PRO A 67 14.066 19.846 -11.129 1.00 0.00 C ATOM 1031 CG PRO A 67 14.465 20.666 -9.912 1.00 0.00 C ATOM 1032 CD PRO A 67 14.526 22.090 -10.449 1.00 0.00 C ATOM 0 HA PRO A 67 13.302 20.655 -13.021 1.00 0.00 H new ATOM 0 HB2 PRO A 67 13.519 18.948 -10.843 1.00 0.00 H new ATOM 0 HB3 PRO A 67 14.939 19.521 -11.694 1.00 0.00 H new ATOM 0 HG2 PRO A 67 13.736 20.571 -9.107 1.00 0.00 H new ATOM 0 HG3 PRO A 67 15.427 20.347 -9.510 1.00 0.00 H new ATOM 0 HD2 PRO A 67 14.218 22.805 -9.686 1.00 0.00 H new ATOM 0 HD3 PRO A 67 15.544 22.351 -10.739 1.00 0.00 H new ATOM 1040 N THR A 68 11.177 19.550 -12.432 1.00 0.00 N ATOM 1041 CA THR A 68 9.722 19.274 -12.496 1.00 0.00 C ATOM 1042 C THR A 68 9.186 18.373 -11.369 1.00 0.00 C ATOM 1043 O THR A 68 8.023 18.494 -10.977 1.00 0.00 O ATOM 1044 CB THR A 68 9.369 18.725 -13.896 1.00 0.00 C ATOM 1045 OG1 THR A 68 7.974 18.648 -14.093 1.00 0.00 O ATOM 1046 CG2 THR A 68 9.954 17.336 -14.171 1.00 0.00 C ATOM 0 H THR A 68 11.737 18.931 -13.019 1.00 0.00 H new ATOM 0 HA THR A 68 9.213 20.223 -12.331 1.00 0.00 H new ATOM 0 HB THR A 68 9.815 19.439 -14.588 1.00 0.00 H new ATOM 0 HG1 THR A 68 7.789 18.298 -14.990 1.00 0.00 H new ATOM 0 HG21 THR A 68 9.667 17.012 -15.171 1.00 0.00 H new ATOM 0 HG22 THR A 68 11.041 17.379 -14.101 1.00 0.00 H new ATOM 0 HG23 THR A 68 9.571 16.628 -13.436 1.00 0.00 H new ATOM 1054 N GLY A 69 10.032 17.491 -10.822 1.00 0.00 N ATOM 1055 CA GLY A 69 9.682 16.510 -9.778 1.00 0.00 C ATOM 1056 C GLY A 69 10.105 15.079 -10.123 1.00 0.00 C ATOM 1057 O GLY A 69 10.566 14.332 -9.261 1.00 0.00 O ATOM 0 H GLY A 69 11.012 17.436 -11.101 1.00 0.00 H new ATOM 0 HA2 GLY A 69 10.153 16.804 -8.840 1.00 0.00 H new ATOM 0 HA3 GLY A 69 8.605 16.533 -9.614 1.00 0.00 H new ATOM 1061 N ASP A 70 10.043 14.727 -11.409 1.00 0.00 N ATOM 1062 CA ASP A 70 10.590 13.496 -11.991 1.00 0.00 C ATOM 1063 C ASP A 70 12.114 13.610 -12.206 1.00 0.00 C ATOM 1064 O ASP A 70 12.624 13.575 -13.329 1.00 0.00 O ATOM 1065 CB ASP A 70 9.814 13.135 -13.267 1.00 0.00 C ATOM 1066 CG ASP A 70 8.297 13.049 -13.034 1.00 0.00 C ATOM 1067 OD1 ASP A 70 7.834 12.036 -12.455 1.00 0.00 O ATOM 1068 OD2 ASP A 70 7.561 13.980 -13.441 1.00 0.00 O ATOM 0 H ASP A 70 9.590 15.318 -12.106 1.00 0.00 H new ATOM 0 HA ASP A 70 10.456 12.670 -11.292 1.00 0.00 H new ATOM 0 HB2 ASP A 70 10.018 13.881 -14.035 1.00 0.00 H new ATOM 0 HB3 ASP A 70 10.174 12.179 -13.648 1.00 0.00 H new ATOM 1073 N VAL A 71 12.837 13.822 -11.100 1.00 0.00 N ATOM 1074 CA VAL A 71 14.272 14.142 -11.060 1.00 0.00 C ATOM 1075 C VAL A 71 15.020 13.362 -9.963 1.00 0.00 C ATOM 1076 O VAL A 71 14.434 12.919 -8.973 1.00 0.00 O ATOM 1077 CB VAL A 71 14.501 15.667 -10.933 1.00 0.00 C ATOM 1078 CG1 VAL A 71 13.967 16.435 -12.161 1.00 0.00 C ATOM 1079 CG2 VAL A 71 13.902 16.261 -9.653 1.00 0.00 C ATOM 0 H VAL A 71 12.423 13.774 -10.169 1.00 0.00 H new ATOM 0 HA VAL A 71 14.696 13.818 -12.011 1.00 0.00 H new ATOM 0 HB VAL A 71 15.583 15.790 -10.881 1.00 0.00 H new ATOM 0 HG11 VAL A 71 14.148 17.502 -12.030 1.00 0.00 H new ATOM 0 HG12 VAL A 71 14.479 16.087 -13.058 1.00 0.00 H new ATOM 0 HG13 VAL A 71 12.896 16.259 -12.263 1.00 0.00 H new ATOM 0 HG21 VAL A 71 14.097 17.333 -9.624 1.00 0.00 H new ATOM 0 HG22 VAL A 71 12.826 16.087 -9.640 1.00 0.00 H new ATOM 0 HG23 VAL A 71 14.357 15.786 -8.784 1.00 0.00 H new ATOM 1089 N LEU A 72 16.330 13.201 -10.148 1.00 0.00 N ATOM 1090 CA LEU A 72 17.286 12.557 -9.236 1.00 0.00 C ATOM 1091 C LEU A 72 17.940 13.612 -8.360 1.00 0.00 C ATOM 1092 O LEU A 72 18.392 14.624 -8.894 1.00 0.00 O ATOM 1093 CB LEU A 72 18.405 11.887 -10.053 1.00 0.00 C ATOM 1094 CG LEU A 72 17.908 10.752 -10.940 1.00 0.00 C ATOM 1095 CD1 LEU A 72 18.904 10.455 -12.059 1.00 0.00 C ATOM 1096 CD2 LEU A 72 17.718 9.490 -10.109 1.00 0.00 C ATOM 0 H LEU A 72 16.786 13.539 -10.995 1.00 0.00 H new ATOM 0 HA LEU A 72 16.752 11.824 -8.631 1.00 0.00 H new ATOM 0 HB2 LEU A 72 18.891 12.639 -10.675 1.00 0.00 H new ATOM 0 HB3 LEU A 72 19.162 11.500 -9.370 1.00 0.00 H new ATOM 0 HG LEU A 72 16.959 11.061 -11.379 1.00 0.00 H new ATOM 0 HD11 LEU A 72 18.525 9.641 -12.677 1.00 0.00 H new ATOM 0 HD12 LEU A 72 19.037 11.345 -12.673 1.00 0.00 H new ATOM 0 HD13 LEU A 72 19.862 10.166 -11.626 1.00 0.00 H new ATOM 0 HD21 LEU A 72 17.363 8.683 -10.749 1.00 0.00 H new ATOM 0 HD22 LEU A 72 18.669 9.204 -9.659 1.00 0.00 H new ATOM 0 HD23 LEU A 72 16.987 9.679 -9.323 1.00 0.00 H new ATOM 1108 N GLN A 73 18.033 13.385 -7.051 1.00 0.00 N ATOM 1109 CA GLN A 73 18.520 14.409 -6.114 1.00 0.00 C ATOM 1110 C GLN A 73 19.805 13.998 -5.375 1.00 0.00 C ATOM 1111 O GLN A 73 19.787 13.095 -4.541 1.00 0.00 O ATOM 1112 CB GLN A 73 17.419 14.766 -5.102 1.00 0.00 C ATOM 1113 CG GLN A 73 16.168 15.393 -5.742 1.00 0.00 C ATOM 1114 CD GLN A 73 15.247 16.029 -4.699 1.00 0.00 C ATOM 1115 OE1 GLN A 73 15.095 15.555 -3.578 1.00 0.00 O ATOM 1116 NE2 GLN A 73 14.625 17.144 -5.000 1.00 0.00 N ATOM 0 H GLN A 73 17.778 12.501 -6.610 1.00 0.00 H new ATOM 0 HA GLN A 73 18.773 15.283 -6.714 1.00 0.00 H new ATOM 0 HB2 GLN A 73 17.127 13.864 -4.563 1.00 0.00 H new ATOM 0 HB3 GLN A 73 17.826 15.460 -4.366 1.00 0.00 H new ATOM 0 HG2 GLN A 73 16.472 16.149 -6.466 1.00 0.00 H new ATOM 0 HG3 GLN A 73 15.620 14.628 -6.291 1.00 0.00 H new ATOM 0 HE21 GLN A 73 14.737 17.556 -5.926 1.00 0.00 H new ATOM 0 HE22 GLN A 73 14.030 17.599 -4.308 1.00 0.00 H new ATOM 1125 N GLY A 74 20.914 14.689 -5.645 1.00 0.00 N ATOM 1126 CA GLY A 74 22.171 14.597 -4.894 1.00 0.00 C ATOM 1127 C GLY A 74 22.178 15.592 -3.731 1.00 0.00 C ATOM 1128 O GLY A 74 21.580 16.656 -3.845 1.00 0.00 O ATOM 0 H GLY A 74 20.965 15.351 -6.419 1.00 0.00 H new ATOM 0 HA2 GLY A 74 22.300 13.584 -4.514 1.00 0.00 H new ATOM 0 HA3 GLY A 74 23.013 14.798 -5.557 1.00 0.00 H new ATOM 1132 N ARG A 75 22.848 15.288 -2.617 1.00 0.00 N ATOM 1133 CA ARG A 75 22.858 16.127 -1.397 1.00 0.00 C ATOM 1134 C ARG A 75 24.199 16.075 -0.665 1.00 0.00 C ATOM 1135 O ARG A 75 24.982 15.147 -0.862 1.00 0.00 O ATOM 1136 CB ARG A 75 21.703 15.728 -0.451 1.00 0.00 C ATOM 1137 CG ARG A 75 20.390 16.414 -0.851 1.00 0.00 C ATOM 1138 CD ARG A 75 19.277 16.130 0.163 1.00 0.00 C ATOM 1139 NE ARG A 75 18.011 16.794 -0.210 1.00 0.00 N ATOM 1140 CZ ARG A 75 17.066 16.331 -1.010 1.00 0.00 C ATOM 1141 NH1 ARG A 75 17.144 15.175 -1.602 1.00 0.00 N ATOM 1142 NH2 ARG A 75 16.003 17.035 -1.261 1.00 0.00 N ATOM 0 H ARG A 75 23.410 14.441 -2.527 1.00 0.00 H new ATOM 0 HA ARG A 75 22.710 17.158 -1.718 1.00 0.00 H new ATOM 0 HB2 ARG A 75 21.571 14.646 -0.471 1.00 0.00 H new ATOM 0 HB3 ARG A 75 21.959 15.999 0.573 1.00 0.00 H new ATOM 0 HG2 ARG A 75 20.549 17.490 -0.927 1.00 0.00 H new ATOM 0 HG3 ARG A 75 20.082 16.067 -1.837 1.00 0.00 H new ATOM 0 HD2 ARG A 75 19.116 15.054 0.234 1.00 0.00 H new ATOM 0 HD3 ARG A 75 19.589 16.471 1.150 1.00 0.00 H new ATOM 0 HE ARG A 75 17.847 17.715 0.196 1.00 0.00 H new ATOM 0 HH11 ARG A 75 17.961 14.582 -1.457 1.00 0.00 H new ATOM 0 HH12 ARG A 75 16.388 14.862 -2.211 1.00 0.00 H new ATOM 0 HH21 ARG A 75 15.890 17.957 -0.839 1.00 0.00 H new ATOM 0 HH22 ARG A 75 15.281 16.666 -1.880 1.00 0.00 H new ATOM 1156 N ALA A 76 24.448 17.089 0.166 1.00 0.00 N ATOM 1157 CA ALA A 76 25.649 17.203 1.002 1.00 0.00 C ATOM 1158 C ALA A 76 25.525 18.253 2.122 1.00 0.00 C ATOM 1159 O ALA A 76 24.651 19.124 2.105 1.00 0.00 O ATOM 1160 CB ALA A 76 26.842 17.537 0.091 1.00 0.00 C ATOM 0 H ALA A 76 23.806 17.873 0.280 1.00 0.00 H new ATOM 0 HA ALA A 76 25.792 16.248 1.508 1.00 0.00 H new ATOM 0 HB1 ALA A 76 27.746 17.626 0.693 1.00 0.00 H new ATOM 0 HB2 ALA A 76 26.972 16.742 -0.644 1.00 0.00 H new ATOM 0 HB3 ALA A 76 26.654 18.479 -0.423 1.00 0.00 H new ATOM 1166 N THR A 77 26.478 18.198 3.054 1.00 0.00 N ATOM 1167 CA THR A 77 26.720 19.198 4.106 1.00 0.00 C ATOM 1168 C THR A 77 28.137 19.747 3.920 1.00 0.00 C ATOM 1169 O THR A 77 29.072 18.978 3.682 1.00 0.00 O ATOM 1170 CB THR A 77 26.554 18.584 5.507 1.00 0.00 C ATOM 1171 OG1 THR A 77 25.248 18.067 5.672 1.00 0.00 O ATOM 1172 CG2 THR A 77 26.788 19.592 6.633 1.00 0.00 C ATOM 0 H THR A 77 27.136 17.420 3.102 1.00 0.00 H new ATOM 0 HA THR A 77 25.990 20.003 4.023 1.00 0.00 H new ATOM 0 HB THR A 77 27.306 17.798 5.572 1.00 0.00 H new ATOM 0 HG1 THR A 77 25.161 17.679 6.568 1.00 0.00 H new ATOM 0 HG21 THR A 77 26.656 19.099 7.596 1.00 0.00 H new ATOM 0 HG22 THR A 77 27.802 19.987 6.563 1.00 0.00 H new ATOM 0 HG23 THR A 77 26.073 20.410 6.544 1.00 0.00 H new ATOM 1180 N GLY A 78 28.291 21.069 3.989 1.00 0.00 N ATOM 1181 CA GLY A 78 29.572 21.747 3.777 1.00 0.00 C ATOM 1182 C GLY A 78 30.335 22.104 5.058 1.00 0.00 C ATOM 1183 O GLY A 78 29.884 21.853 6.181 1.00 0.00 O ATOM 0 H GLY A 78 27.523 21.707 4.196 1.00 0.00 H new ATOM 0 HA2 GLY A 78 30.206 21.110 3.160 1.00 0.00 H new ATOM 0 HA3 GLY A 78 29.393 22.662 3.212 1.00 0.00 H new ATOM 1187 N GLU A 79 31.524 22.679 4.875 1.00 0.00 N ATOM 1188 CA GLU A 79 32.505 22.896 5.945 1.00 0.00 C ATOM 1189 C GLU A 79 32.272 24.137 6.835 1.00 0.00 C ATOM 1190 O GLU A 79 32.886 24.211 7.904 1.00 0.00 O ATOM 1191 CB GLU A 79 33.920 22.918 5.339 1.00 0.00 C ATOM 1192 CG GLU A 79 34.345 21.608 4.658 1.00 0.00 C ATOM 1193 CD GLU A 79 34.447 20.441 5.659 1.00 0.00 C ATOM 1194 OE1 GLU A 79 35.459 20.359 6.399 1.00 0.00 O ATOM 1195 OE2 GLU A 79 33.526 19.590 5.709 1.00 0.00 O ATOM 0 H GLU A 79 31.840 23.014 3.965 1.00 0.00 H new ATOM 0 HA GLU A 79 32.380 22.057 6.630 1.00 0.00 H new ATOM 0 HB2 GLU A 79 33.976 23.726 4.610 1.00 0.00 H new ATOM 0 HB3 GLU A 79 34.635 23.151 6.128 1.00 0.00 H new ATOM 0 HG2 GLU A 79 33.626 21.355 3.879 1.00 0.00 H new ATOM 0 HG3 GLU A 79 35.308 21.750 4.168 1.00 0.00 H new ATOM 1202 N GLU A 80 31.382 25.076 6.480 1.00 0.00 N ATOM 1203 CA GLU A 80 30.954 26.164 7.382 1.00 0.00 C ATOM 1204 C GLU A 80 29.569 25.890 8.006 1.00 0.00 C ATOM 1205 O GLU A 80 29.011 26.733 8.715 1.00 0.00 O ATOM 1206 CB GLU A 80 30.905 27.490 6.627 1.00 0.00 C ATOM 1207 CG GLU A 80 32.208 27.896 5.941 1.00 0.00 C ATOM 1208 CD GLU A 80 33.247 28.443 6.941 1.00 0.00 C ATOM 1209 OE1 GLU A 80 33.999 27.654 7.562 1.00 0.00 O ATOM 1210 OE2 GLU A 80 33.314 29.685 7.123 1.00 0.00 O ATOM 0 H GLU A 80 30.938 25.105 5.562 1.00 0.00 H new ATOM 0 HA GLU A 80 31.688 26.216 8.186 1.00 0.00 H new ATOM 0 HB2 GLU A 80 30.119 27.432 5.874 1.00 0.00 H new ATOM 0 HB3 GLU A 80 30.620 28.277 7.325 1.00 0.00 H new ATOM 0 HG2 GLU A 80 32.626 27.035 5.420 1.00 0.00 H new ATOM 0 HG3 GLU A 80 31.998 28.654 5.186 1.00 0.00 H new ATOM 1217 N GLY A 81 29.009 24.707 7.744 1.00 0.00 N ATOM 1218 CA GLY A 81 27.715 24.230 8.246 1.00 0.00 C ATOM 1219 C GLY A 81 26.548 24.421 7.270 1.00 0.00 C ATOM 1220 O GLY A 81 25.387 24.378 7.680 1.00 0.00 O ATOM 0 H GLY A 81 29.468 24.020 7.146 1.00 0.00 H new ATOM 0 HA2 GLY A 81 27.801 23.171 8.488 1.00 0.00 H new ATOM 0 HA3 GLY A 81 27.485 24.751 9.175 1.00 0.00 H new ATOM 1224 N GLU A 82 26.836 24.651 5.989 1.00 0.00 N ATOM 1225 CA GLU A 82 25.863 24.819 4.914 1.00 0.00 C ATOM 1226 C GLU A 82 25.271 23.494 4.402 1.00 0.00 C ATOM 1227 O GLU A 82 25.748 22.408 4.741 1.00 0.00 O ATOM 1228 CB GLU A 82 26.501 25.651 3.787 1.00 0.00 C ATOM 1229 CG GLU A 82 27.537 24.949 2.891 1.00 0.00 C ATOM 1230 CD GLU A 82 28.992 25.031 3.400 1.00 0.00 C ATOM 1231 OE1 GLU A 82 29.217 24.959 4.629 1.00 0.00 O ATOM 1232 OE2 GLU A 82 29.913 25.073 2.553 1.00 0.00 O ATOM 0 H GLU A 82 27.798 24.728 5.659 1.00 0.00 H new ATOM 0 HA GLU A 82 25.005 25.356 5.319 1.00 0.00 H new ATOM 0 HB2 GLU A 82 25.700 26.024 3.148 1.00 0.00 H new ATOM 0 HB3 GLU A 82 26.979 26.520 4.239 1.00 0.00 H new ATOM 0 HG2 GLU A 82 27.260 23.899 2.792 1.00 0.00 H new ATOM 0 HG3 GLU A 82 27.490 25.386 1.894 1.00 0.00 H new ATOM 1239 N THR A 83 24.271 23.585 3.517 1.00 0.00 N ATOM 1240 CA THR A 83 23.602 22.431 2.895 1.00 0.00 C ATOM 1241 C THR A 83 23.537 22.638 1.380 1.00 0.00 C ATOM 1242 O THR A 83 23.215 23.726 0.898 1.00 0.00 O ATOM 1243 CB THR A 83 22.202 22.201 3.499 1.00 0.00 C ATOM 1244 OG1 THR A 83 22.309 21.950 4.884 1.00 0.00 O ATOM 1245 CG2 THR A 83 21.470 21.000 2.894 1.00 0.00 C ATOM 0 H THR A 83 23.895 24.480 3.205 1.00 0.00 H new ATOM 0 HA THR A 83 24.181 21.531 3.100 1.00 0.00 H new ATOM 0 HB THR A 83 21.638 23.108 3.282 1.00 0.00 H new ATOM 0 HG1 THR A 83 21.416 21.807 5.260 1.00 0.00 H new ATOM 0 HG21 THR A 83 20.492 20.896 3.364 1.00 0.00 H new ATOM 0 HG22 THR A 83 21.343 21.153 1.822 1.00 0.00 H new ATOM 0 HG23 THR A 83 22.053 20.095 3.065 1.00 0.00 H new ATOM 1253 N VAL A 84 23.864 21.578 0.643 1.00 0.00 N ATOM 1254 CA VAL A 84 23.931 21.547 -0.830 1.00 0.00 C ATOM 1255 C VAL A 84 22.963 20.513 -1.395 1.00 0.00 C ATOM 1256 O VAL A 84 22.778 19.440 -0.819 1.00 0.00 O ATOM 1257 CB VAL A 84 25.385 21.340 -1.306 1.00 0.00 C ATOM 1258 CG1 VAL A 84 25.522 21.126 -2.819 1.00 0.00 C ATOM 1259 CG2 VAL A 84 26.223 22.572 -0.942 1.00 0.00 C ATOM 0 H VAL A 84 24.100 20.680 1.064 1.00 0.00 H new ATOM 0 HA VAL A 84 23.612 22.513 -1.221 1.00 0.00 H new ATOM 0 HB VAL A 84 25.732 20.435 -0.807 1.00 0.00 H new ATOM 0 HG11 VAL A 84 26.573 20.988 -3.073 1.00 0.00 H new ATOM 0 HG12 VAL A 84 24.958 20.241 -3.114 1.00 0.00 H new ATOM 0 HG13 VAL A 84 25.132 21.997 -3.346 1.00 0.00 H new ATOM 0 HG21 VAL A 84 27.250 22.426 -1.278 1.00 0.00 H new ATOM 0 HG22 VAL A 84 25.804 23.453 -1.428 1.00 0.00 H new ATOM 0 HG23 VAL A 84 26.212 22.713 0.139 1.00 0.00 H new ATOM 1269 N LEU A 85 22.365 20.838 -2.543 1.00 0.00 N ATOM 1270 CA LEU A 85 21.486 19.972 -3.325 1.00 0.00 C ATOM 1271 C LEU A 85 21.888 20.052 -4.809 1.00 0.00 C ATOM 1272 O LEU A 85 22.414 21.057 -5.283 1.00 0.00 O ATOM 1273 CB LEU A 85 20.028 20.381 -3.027 1.00 0.00 C ATOM 1274 CG LEU A 85 18.908 19.762 -3.892 1.00 0.00 C ATOM 1275 CD1 LEU A 85 18.743 18.251 -3.723 1.00 0.00 C ATOM 1276 CD2 LEU A 85 17.579 20.374 -3.478 1.00 0.00 C ATOM 0 H LEU A 85 22.487 21.756 -2.971 1.00 0.00 H new ATOM 0 HA LEU A 85 21.581 18.921 -3.053 1.00 0.00 H new ATOM 0 HB2 LEU A 85 19.819 20.136 -1.986 1.00 0.00 H new ATOM 0 HB3 LEU A 85 19.960 21.465 -3.119 1.00 0.00 H new ATOM 0 HG LEU A 85 19.189 19.965 -4.925 1.00 0.00 H new ATOM 0 HD11 LEU A 85 17.936 17.899 -4.366 1.00 0.00 H new ATOM 0 HD12 LEU A 85 19.671 17.751 -3.999 1.00 0.00 H new ATOM 0 HD13 LEU A 85 18.504 18.025 -2.684 1.00 0.00 H new ATOM 0 HD21 LEU A 85 16.778 19.946 -4.081 1.00 0.00 H new ATOM 0 HD22 LEU A 85 17.393 20.162 -2.425 1.00 0.00 H new ATOM 0 HD23 LEU A 85 17.612 21.453 -3.631 1.00 0.00 H new ATOM 1288 N VAL A 86 21.645 18.970 -5.536 1.00 0.00 N ATOM 1289 CA VAL A 86 21.904 18.823 -6.979 1.00 0.00 C ATOM 1290 C VAL A 86 20.754 18.039 -7.589 1.00 0.00 C ATOM 1291 O VAL A 86 20.296 17.083 -6.973 1.00 0.00 O ATOM 1292 CB VAL A 86 23.245 18.109 -7.255 1.00 0.00 C ATOM 1293 CG1 VAL A 86 23.453 17.870 -8.750 1.00 0.00 C ATOM 1294 CG2 VAL A 86 24.441 18.933 -6.758 1.00 0.00 C ATOM 0 H VAL A 86 21.243 18.127 -5.126 1.00 0.00 H new ATOM 0 HA VAL A 86 21.976 19.813 -7.429 1.00 0.00 H new ATOM 0 HB VAL A 86 23.192 17.161 -6.720 1.00 0.00 H new ATOM 0 HG11 VAL A 86 24.406 17.366 -8.909 1.00 0.00 H new ATOM 0 HG12 VAL A 86 22.645 17.248 -9.135 1.00 0.00 H new ATOM 0 HG13 VAL A 86 23.456 18.826 -9.274 1.00 0.00 H new ATOM 0 HG21 VAL A 86 25.366 18.397 -6.971 1.00 0.00 H new ATOM 0 HG22 VAL A 86 24.455 19.897 -7.267 1.00 0.00 H new ATOM 0 HG23 VAL A 86 24.352 19.091 -5.683 1.00 0.00 H new ATOM 1304 N GLU A 87 20.282 18.416 -8.776 1.00 0.00 N ATOM 1305 CA GLU A 87 19.126 17.787 -9.415 1.00 0.00 C ATOM 1306 C GLU A 87 19.377 17.478 -10.905 1.00 0.00 C ATOM 1307 O GLU A 87 19.924 18.292 -11.652 1.00 0.00 O ATOM 1308 CB GLU A 87 17.841 18.596 -9.140 1.00 0.00 C ATOM 1309 CG GLU A 87 17.623 18.805 -7.629 1.00 0.00 C ATOM 1310 CD GLU A 87 16.213 19.302 -7.274 1.00 0.00 C ATOM 1311 OE1 GLU A 87 15.259 18.490 -7.334 1.00 0.00 O ATOM 1312 OE2 GLU A 87 16.064 20.486 -6.886 1.00 0.00 O ATOM 0 H GLU A 87 20.693 19.171 -9.325 1.00 0.00 H new ATOM 0 HA GLU A 87 18.970 16.809 -8.960 1.00 0.00 H new ATOM 0 HB2 GLU A 87 17.905 19.564 -9.638 1.00 0.00 H new ATOM 0 HB3 GLU A 87 16.983 18.075 -9.565 1.00 0.00 H new ATOM 0 HG2 GLU A 87 17.809 17.865 -7.110 1.00 0.00 H new ATOM 0 HG3 GLU A 87 18.356 19.523 -7.261 1.00 0.00 H new ATOM 1319 N GLU A 88 18.990 16.267 -11.315 1.00 0.00 N ATOM 1320 CA GLU A 88 19.185 15.705 -12.663 1.00 0.00 C ATOM 1321 C GLU A 88 17.869 15.134 -13.224 1.00 0.00 C ATOM 1322 O GLU A 88 17.089 14.577 -12.452 1.00 0.00 O ATOM 1323 CB GLU A 88 20.209 14.564 -12.578 1.00 0.00 C ATOM 1324 CG GLU A 88 21.686 14.935 -12.615 1.00 0.00 C ATOM 1325 CD GLU A 88 22.165 15.162 -14.045 1.00 0.00 C ATOM 1326 OE1 GLU A 88 21.756 16.159 -14.666 1.00 0.00 O ATOM 1327 OE2 GLU A 88 22.976 14.368 -14.569 1.00 0.00 O ATOM 0 H GLU A 88 18.510 15.619 -10.691 1.00 0.00 H new ATOM 0 HA GLU A 88 19.533 16.501 -13.322 1.00 0.00 H new ATOM 0 HB2 GLU A 88 20.024 14.015 -11.655 1.00 0.00 H new ATOM 0 HB3 GLU A 88 20.015 13.877 -13.402 1.00 0.00 H new ATOM 0 HG2 GLU A 88 21.851 15.837 -12.026 1.00 0.00 H new ATOM 0 HG3 GLU A 88 22.274 14.141 -12.154 1.00 0.00 H new ATOM 1334 N PRO A 89 17.609 15.179 -14.543 1.00 0.00 N ATOM 1335 CA PRO A 89 16.465 14.488 -15.142 1.00 0.00 C ATOM 1336 C PRO A 89 16.549 12.964 -14.920 1.00 0.00 C ATOM 1337 O PRO A 89 17.600 12.349 -15.137 1.00 0.00 O ATOM 1338 CB PRO A 89 16.498 14.860 -16.629 1.00 0.00 C ATOM 1339 CG PRO A 89 17.975 15.162 -16.890 1.00 0.00 C ATOM 1340 CD PRO A 89 18.430 15.788 -15.577 1.00 0.00 C ATOM 0 HA PRO A 89 15.523 14.789 -14.684 1.00 0.00 H new ATOM 0 HB2 PRO A 89 16.139 14.043 -17.255 1.00 0.00 H new ATOM 0 HB3 PRO A 89 15.868 15.724 -16.840 1.00 0.00 H new ATOM 0 HG2 PRO A 89 18.537 14.258 -17.123 1.00 0.00 H new ATOM 0 HG3 PRO A 89 18.106 15.844 -17.730 1.00 0.00 H new ATOM 0 HD2 PRO A 89 19.488 15.597 -15.399 1.00 0.00 H new ATOM 0 HD3 PRO A 89 18.299 16.870 -15.594 1.00 0.00 H new ATOM 1348 N ARG A 90 15.433 12.357 -14.489 1.00 0.00 N ATOM 1349 CA ARG A 90 15.313 10.911 -14.218 1.00 0.00 C ATOM 1350 C ARG A 90 15.124 10.089 -15.503 1.00 0.00 C ATOM 1351 O ARG A 90 15.850 9.082 -15.673 1.00 0.00 O ATOM 1352 CB ARG A 90 14.193 10.676 -13.191 1.00 0.00 C ATOM 1353 CG ARG A 90 14.130 9.222 -12.703 1.00 0.00 C ATOM 1354 CD ARG A 90 13.051 9.064 -11.625 1.00 0.00 C ATOM 1355 NE ARG A 90 12.909 7.658 -11.203 1.00 0.00 N ATOM 1356 CZ ARG A 90 12.055 7.185 -10.316 1.00 0.00 C ATOM 1357 NH1 ARG A 90 11.231 7.958 -9.666 1.00 0.00 N ATOM 1358 NH2 ARG A 90 12.008 5.910 -10.063 1.00 0.00 N ATOM 1359 OXT ARG A 90 14.254 10.441 -16.335 1.00 0.00 O ATOM 0 H ARG A 90 14.567 12.867 -14.314 1.00 0.00 H new ATOM 0 HA ARG A 90 16.250 10.556 -13.790 1.00 0.00 H new ATOM 0 HB2 ARG A 90 14.346 11.335 -12.336 1.00 0.00 H new ATOM 0 HB3 ARG A 90 13.236 10.947 -13.636 1.00 0.00 H new ATOM 0 HG2 ARG A 90 13.915 8.560 -13.541 1.00 0.00 H new ATOM 0 HG3 ARG A 90 15.099 8.924 -12.302 1.00 0.00 H new ATOM 0 HD2 ARG A 90 13.305 9.680 -10.762 1.00 0.00 H new ATOM 0 HD3 ARG A 90 12.097 9.428 -12.007 1.00 0.00 H new ATOM 0 HE ARG A 90 13.535 6.983 -11.642 1.00 0.00 H new ATOM 0 HH11 ARG A 90 11.233 8.964 -9.836 1.00 0.00 H new ATOM 0 HH12 ARG A 90 10.584 7.557 -8.987 1.00 0.00 H new ATOM 0 HH21 ARG A 90 12.634 5.270 -10.552 1.00 0.00 H new ATOM 0 HH22 ARG A 90 11.345 5.550 -9.376 1.00 0.00 H new