USER MOD reduce.3.24.130724 H: found=0, std=0, add=368, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 369 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 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 11 GLN : amide:sc= 1.02 K(o=1,f=0) USER MOD Single : A 12 GLN : amide:sc= 0.633 K(o=0.63,f=-0.0076) USER MOD Single : A 14 GLN : amide:sc= -0.153 X(o=-0.15,f=-0.15) USER MOD Single : A 19 THR OG1 : rot 73:sc= 1.11 USER MOD Single : A 21 GLN : amide:sc= 0.587 K(o=0.59,f=0) USER MOD Single : A 23 ASN : amide:sc= 0.132 K(o=0.13,f=-3.5!) USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 MET CE :methyl -174:sc= 0 (180deg=-0.061) USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 THR OG1 : rot -83:sc= 1.26 USER MOD Single : A 39 ASN : amide:sc= -0.338 X(o=-0.34,f=-0.34) USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 ASN : amide:sc= -0.064 K(o=-0.064,f=-0.9) USER MOD ----------------------------------------------------------------- ATOM 178 N THR A 9 21.929 23.493 29.772 1.00 0.00 N ATOM 179 CA THR A 9 20.992 22.756 28.905 1.00 0.00 C ATOM 180 C THR A 9 20.833 23.438 27.542 1.00 0.00 C ATOM 181 O THR A 9 21.105 24.632 27.394 1.00 0.00 O ATOM 182 CB THR A 9 19.622 22.546 29.576 1.00 0.00 C ATOM 183 OG1 THR A 9 18.874 23.739 29.592 1.00 0.00 O ATOM 184 CG2 THR A 9 19.735 22.026 31.010 1.00 0.00 C ATOM 0 HA THR A 9 21.428 21.771 28.741 1.00 0.00 H new ATOM 0 HB THR A 9 19.115 21.792 28.974 1.00 0.00 H new ATOM 0 HG1 THR A 9 18.009 23.577 30.022 1.00 0.00 H new ATOM 0 HG21 THR A 9 18.737 21.898 31.430 1.00 0.00 H new ATOM 0 HG22 THR A 9 20.255 21.068 31.010 1.00 0.00 H new ATOM 0 HG23 THR A 9 20.294 22.741 31.613 1.00 0.00 H new ATOM 192 N SER A 10 20.360 22.718 26.520 1.00 0.00 N ATOM 193 CA SER A 10 20.187 23.286 25.172 1.00 0.00 C ATOM 194 C SER A 10 19.190 24.453 25.148 1.00 0.00 C ATOM 195 O SER A 10 19.437 25.451 24.479 1.00 0.00 O ATOM 196 CB SER A 10 19.754 22.206 24.180 1.00 0.00 C ATOM 197 OG SER A 10 20.672 21.128 24.190 1.00 0.00 O ATOM 0 H SER A 10 20.088 21.738 26.597 1.00 0.00 H new ATOM 0 HA SER A 10 21.158 23.681 24.873 1.00 0.00 H new ATOM 0 HB2 SER A 10 18.758 21.846 24.437 1.00 0.00 H new ATOM 0 HB3 SER A 10 19.691 22.629 23.177 1.00 0.00 H new ATOM 0 HG SER A 10 20.380 20.444 23.551 1.00 0.00 H new ATOM 203 N GLN A 11 18.119 24.397 25.953 1.00 0.00 N ATOM 204 CA GLN A 11 17.176 25.516 26.133 1.00 0.00 C ATOM 205 C GLN A 11 17.860 26.778 26.702 1.00 0.00 C ATOM 206 O GLN A 11 17.425 27.890 26.402 1.00 0.00 O ATOM 207 CB GLN A 11 16.015 25.034 27.028 1.00 0.00 C ATOM 208 CG GLN A 11 15.010 26.102 27.507 1.00 0.00 C ATOM 209 CD GLN A 11 14.183 26.768 26.406 1.00 0.00 C ATOM 210 OE1 GLN A 11 13.041 26.403 26.144 1.00 0.00 O ATOM 211 NE2 GLN A 11 14.700 27.781 25.750 1.00 0.00 N ATOM 0 H GLN A 11 17.879 23.571 26.501 1.00 0.00 H new ATOM 0 HA GLN A 11 16.787 25.815 25.160 1.00 0.00 H new ATOM 0 HB2 GLN A 11 15.462 24.269 26.483 1.00 0.00 H new ATOM 0 HB3 GLN A 11 16.443 24.553 27.907 1.00 0.00 H new ATOM 0 HG2 GLN A 11 14.328 25.640 28.221 1.00 0.00 H new ATOM 0 HG3 GLN A 11 15.558 26.876 28.045 1.00 0.00 H new ATOM 0 HE21 GLN A 11 15.648 28.093 25.959 1.00 0.00 H new ATOM 0 HE22 GLN A 11 14.153 28.256 25.031 1.00 0.00 H new ATOM 220 N GLN A 12 18.930 26.638 27.488 1.00 0.00 N ATOM 221 CA GLN A 12 19.718 27.775 27.971 1.00 0.00 C ATOM 222 C GLN A 12 20.657 28.297 26.875 1.00 0.00 C ATOM 223 O GLN A 12 20.667 29.494 26.589 1.00 0.00 O ATOM 224 CB GLN A 12 20.483 27.380 29.246 1.00 0.00 C ATOM 225 CG GLN A 12 19.525 27.008 30.391 1.00 0.00 C ATOM 226 CD GLN A 12 20.240 26.434 31.611 1.00 0.00 C ATOM 227 OE1 GLN A 12 21.215 25.707 31.513 1.00 0.00 O ATOM 228 NE2 GLN A 12 19.795 26.746 32.806 1.00 0.00 N ATOM 0 H GLN A 12 19.275 25.733 27.808 1.00 0.00 H new ATOM 0 HA GLN A 12 19.043 28.593 28.225 1.00 0.00 H new ATOM 0 HB2 GLN A 12 21.138 26.536 29.031 1.00 0.00 H new ATOM 0 HB3 GLN A 12 21.121 28.207 29.559 1.00 0.00 H new ATOM 0 HG2 GLN A 12 18.965 27.894 30.690 1.00 0.00 H new ATOM 0 HG3 GLN A 12 18.800 26.280 30.027 1.00 0.00 H new ATOM 0 HE21 GLN A 12 18.981 27.353 32.905 1.00 0.00 H new ATOM 0 HE22 GLN A 12 20.263 26.382 33.636 1.00 0.00 H new ATOM 237 N LEU A 13 21.390 27.395 26.210 1.00 0.00 N ATOM 238 CA LEU A 13 22.330 27.730 25.132 1.00 0.00 C ATOM 239 C LEU A 13 21.648 28.460 23.962 1.00 0.00 C ATOM 240 O LEU A 13 22.185 29.456 23.477 1.00 0.00 O ATOM 241 CB LEU A 13 23.032 26.445 24.646 1.00 0.00 C ATOM 242 CG LEU A 13 23.938 25.760 25.690 1.00 0.00 C ATOM 243 CD1 LEU A 13 24.425 24.411 25.158 1.00 0.00 C ATOM 244 CD2 LEU A 13 25.167 26.602 26.036 1.00 0.00 C ATOM 0 H LEU A 13 21.346 26.396 26.409 1.00 0.00 H new ATOM 0 HA LEU A 13 23.070 28.421 25.535 1.00 0.00 H new ATOM 0 HB2 LEU A 13 22.272 25.733 24.325 1.00 0.00 H new ATOM 0 HB3 LEU A 13 23.633 26.687 23.769 1.00 0.00 H new ATOM 0 HG LEU A 13 23.336 25.633 26.589 1.00 0.00 H new ATOM 0 HD11 LEU A 13 25.064 23.935 25.902 1.00 0.00 H new ATOM 0 HD12 LEU A 13 23.568 23.770 24.953 1.00 0.00 H new ATOM 0 HD13 LEU A 13 24.991 24.565 24.239 1.00 0.00 H new ATOM 0 HD21 LEU A 13 25.772 26.076 26.775 1.00 0.00 H new ATOM 0 HD22 LEU A 13 25.758 26.770 25.136 1.00 0.00 H new ATOM 0 HD23 LEU A 13 24.848 27.561 26.445 1.00 0.00 H new ATOM 256 N GLN A 14 20.447 28.029 23.557 1.00 0.00 N ATOM 257 CA GLN A 14 19.703 28.591 22.422 1.00 0.00 C ATOM 258 C GLN A 14 19.338 30.083 22.567 1.00 0.00 C ATOM 259 O GLN A 14 19.282 30.782 21.555 1.00 0.00 O ATOM 260 CB GLN A 14 18.429 27.756 22.180 1.00 0.00 C ATOM 261 CG GLN A 14 18.657 26.431 21.426 1.00 0.00 C ATOM 262 CD GLN A 14 19.345 26.592 20.075 1.00 0.00 C ATOM 263 OE1 GLN A 14 20.343 25.947 19.776 1.00 0.00 O ATOM 264 NE2 GLN A 14 18.873 27.461 19.212 1.00 0.00 N ATOM 0 H GLN A 14 19.955 27.264 24.018 1.00 0.00 H new ATOM 0 HA GLN A 14 20.374 28.539 21.565 1.00 0.00 H new ATOM 0 HB2 GLN A 14 17.968 27.535 23.143 1.00 0.00 H new ATOM 0 HB3 GLN A 14 17.717 28.360 21.617 1.00 0.00 H new ATOM 0 HG2 GLN A 14 19.257 25.769 22.050 1.00 0.00 H new ATOM 0 HG3 GLN A 14 17.695 25.941 21.275 1.00 0.00 H new ATOM 0 HE21 GLN A 14 18.043 28.008 19.441 1.00 0.00 H new ATOM 0 HE22 GLN A 14 19.336 27.589 18.312 1.00 0.00 H new ATOM 273 N GLU A 15 19.124 30.595 23.785 1.00 0.00 N ATOM 274 CA GLU A 15 18.888 32.032 24.029 1.00 0.00 C ATOM 275 C GLU A 15 20.201 32.820 24.207 1.00 0.00 C ATOM 276 O GLU A 15 20.280 34.000 23.848 1.00 0.00 O ATOM 277 CB GLU A 15 17.979 32.214 25.259 1.00 0.00 C ATOM 278 CG GLU A 15 16.504 31.858 25.005 1.00 0.00 C ATOM 279 CD GLU A 15 15.812 32.881 24.093 1.00 0.00 C ATOM 280 OE1 GLU A 15 15.503 34.004 24.552 1.00 0.00 O ATOM 281 OE2 GLU A 15 15.603 32.597 22.889 1.00 0.00 O ATOM 0 H GLU A 15 19.109 30.028 24.633 1.00 0.00 H new ATOM 0 HA GLU A 15 18.392 32.437 23.147 1.00 0.00 H new ATOM 0 HB2 GLU A 15 18.357 31.594 26.072 1.00 0.00 H new ATOM 0 HB3 GLU A 15 18.040 33.250 25.593 1.00 0.00 H new ATOM 0 HG2 GLU A 15 16.443 30.869 24.551 1.00 0.00 H new ATOM 0 HG3 GLU A 15 15.975 31.805 25.957 1.00 0.00 H new ATOM 288 N LEU A 16 21.256 32.171 24.715 1.00 0.00 N ATOM 289 CA LEU A 16 22.581 32.777 24.878 1.00 0.00 C ATOM 290 C LEU A 16 23.237 33.065 23.515 1.00 0.00 C ATOM 291 O LEU A 16 23.707 34.182 23.289 1.00 0.00 O ATOM 292 CB LEU A 16 23.452 31.867 25.768 1.00 0.00 C ATOM 293 CG LEU A 16 23.007 31.794 27.244 1.00 0.00 C ATOM 294 CD1 LEU A 16 23.689 30.626 27.958 1.00 0.00 C ATOM 295 CD2 LEU A 16 23.366 33.069 28.012 1.00 0.00 C ATOM 0 H LEU A 16 21.212 31.201 25.027 1.00 0.00 H new ATOM 0 HA LEU A 16 22.478 33.742 25.374 1.00 0.00 H new ATOM 0 HB2 LEU A 16 23.446 30.860 25.351 1.00 0.00 H new ATOM 0 HB3 LEU A 16 24.482 32.222 25.730 1.00 0.00 H new ATOM 0 HG LEU A 16 21.925 31.664 27.231 1.00 0.00 H new ATOM 0 HD11 LEU A 16 23.361 30.593 28.997 1.00 0.00 H new ATOM 0 HD12 LEU A 16 23.422 29.692 27.464 1.00 0.00 H new ATOM 0 HD13 LEU A 16 24.770 30.759 27.923 1.00 0.00 H new ATOM 0 HD21 LEU A 16 23.035 32.976 29.046 1.00 0.00 H new ATOM 0 HD22 LEU A 16 24.446 33.216 27.988 1.00 0.00 H new ATOM 0 HD23 LEU A 16 22.873 33.924 27.549 1.00 0.00 H new ATOM 307 N GLU A 17 23.191 32.124 22.564 1.00 0.00 N ATOM 308 CA GLU A 17 23.695 32.362 21.199 1.00 0.00 C ATOM 309 C GLU A 17 22.839 33.372 20.412 1.00 0.00 C ATOM 310 O GLU A 17 23.387 34.237 19.726 1.00 0.00 O ATOM 311 CB GLU A 17 23.872 31.042 20.429 1.00 0.00 C ATOM 312 CG GLU A 17 22.568 30.287 20.137 1.00 0.00 C ATOM 313 CD GLU A 17 22.809 29.118 19.190 1.00 0.00 C ATOM 314 OE1 GLU A 17 23.266 28.037 19.634 1.00 0.00 O ATOM 315 OE2 GLU A 17 22.509 29.269 17.982 1.00 0.00 O ATOM 0 H GLU A 17 22.810 31.189 22.711 1.00 0.00 H new ATOM 0 HA GLU A 17 24.679 32.819 21.307 1.00 0.00 H new ATOM 0 HB2 GLU A 17 24.372 31.253 19.484 1.00 0.00 H new ATOM 0 HB3 GLU A 17 24.533 30.390 21.001 1.00 0.00 H new ATOM 0 HG2 GLU A 17 22.140 29.920 21.070 1.00 0.00 H new ATOM 0 HG3 GLU A 17 21.840 30.969 19.699 1.00 0.00 H new ATOM 322 N ALA A 18 21.510 33.334 20.583 1.00 0.00 N ATOM 323 CA ALA A 18 20.580 34.278 19.961 1.00 0.00 C ATOM 324 C ALA A 18 20.771 35.720 20.471 1.00 0.00 C ATOM 325 O ALA A 18 20.383 36.674 19.793 1.00 0.00 O ATOM 326 CB ALA A 18 19.153 33.784 20.213 1.00 0.00 C ATOM 0 H ALA A 18 21.048 32.636 21.166 1.00 0.00 H new ATOM 0 HA ALA A 18 20.781 34.315 18.890 1.00 0.00 H new ATOM 0 HB1 ALA A 18 18.443 34.474 19.757 1.00 0.00 H new ATOM 0 HB2 ALA A 18 19.028 32.794 19.775 1.00 0.00 H new ATOM 0 HB3 ALA A 18 18.970 33.732 21.286 1.00 0.00 H new ATOM 332 N THR A 19 21.404 35.877 21.639 1.00 0.00 N ATOM 333 CA THR A 19 21.882 37.161 22.160 1.00 0.00 C ATOM 334 C THR A 19 23.262 37.512 21.589 1.00 0.00 C ATOM 335 O THR A 19 23.445 38.607 21.060 1.00 0.00 O ATOM 336 CB THR A 19 21.927 37.143 23.694 1.00 0.00 C ATOM 337 OG1 THR A 19 20.683 36.742 24.234 1.00 0.00 O ATOM 338 CG2 THR A 19 22.236 38.530 24.253 1.00 0.00 C ATOM 0 H THR A 19 21.603 35.095 22.263 1.00 0.00 H new ATOM 0 HA THR A 19 21.178 37.930 21.843 1.00 0.00 H new ATOM 0 HB THR A 19 22.710 36.438 23.973 1.00 0.00 H new ATOM 0 HG1 THR A 19 20.558 35.781 24.089 1.00 0.00 H new ATOM 0 HG21 THR A 19 22.261 38.486 25.342 1.00 0.00 H new ATOM 0 HG22 THR A 19 23.204 38.865 23.881 1.00 0.00 H new ATOM 0 HG23 THR A 19 21.463 39.230 23.936 1.00 0.00 H new ATOM 346 N PHE A 20 24.231 36.589 21.630 1.00 0.00 N ATOM 347 CA PHE A 20 25.610 36.841 21.177 1.00 0.00 C ATOM 348 C PHE A 20 25.685 37.267 19.696 1.00 0.00 C ATOM 349 O PHE A 20 26.435 38.181 19.343 1.00 0.00 O ATOM 350 CB PHE A 20 26.465 35.597 21.457 1.00 0.00 C ATOM 351 CG PHE A 20 27.964 35.847 21.405 1.00 0.00 C ATOM 352 CD1 PHE A 20 28.629 36.346 22.541 1.00 0.00 C ATOM 353 CD2 PHE A 20 28.698 35.579 20.234 1.00 0.00 C ATOM 354 CE1 PHE A 20 30.015 36.575 22.513 1.00 0.00 C ATOM 355 CE2 PHE A 20 30.089 35.797 20.208 1.00 0.00 C ATOM 356 CZ PHE A 20 30.749 36.290 21.347 1.00 0.00 C ATOM 0 H PHE A 20 24.083 35.642 21.979 1.00 0.00 H new ATOM 0 HA PHE A 20 26.006 37.686 21.740 1.00 0.00 H new ATOM 0 HB2 PHE A 20 26.207 35.206 22.441 1.00 0.00 H new ATOM 0 HB3 PHE A 20 26.211 34.824 20.731 1.00 0.00 H new ATOM 0 HD1 PHE A 20 28.070 36.554 23.441 1.00 0.00 H new ATOM 0 HD2 PHE A 20 28.194 35.206 19.355 1.00 0.00 H new ATOM 0 HE1 PHE A 20 30.516 36.969 23.385 1.00 0.00 H new ATOM 0 HE2 PHE A 20 30.650 35.585 19.310 1.00 0.00 H new ATOM 0 HZ PHE A 20 31.817 36.450 21.327 1.00 0.00 H new ATOM 366 N GLN A 21 24.824 36.699 18.839 1.00 0.00 N ATOM 367 CA GLN A 21 24.729 37.072 17.421 1.00 0.00 C ATOM 368 C GLN A 21 24.165 38.487 17.163 1.00 0.00 C ATOM 369 O GLN A 21 24.131 38.916 16.011 1.00 0.00 O ATOM 370 CB GLN A 21 23.970 35.987 16.635 1.00 0.00 C ATOM 371 CG GLN A 21 22.437 36.032 16.793 1.00 0.00 C ATOM 372 CD GLN A 21 21.714 36.346 15.481 1.00 0.00 C ATOM 373 OE1 GLN A 21 21.034 35.503 14.913 1.00 0.00 O ATOM 374 NE2 GLN A 21 21.860 37.521 14.912 1.00 0.00 N ATOM 0 H GLN A 21 24.171 35.964 19.112 1.00 0.00 H new ATOM 0 HA GLN A 21 25.752 37.127 17.050 1.00 0.00 H new ATOM 0 HB2 GLN A 21 24.216 36.084 15.578 1.00 0.00 H new ATOM 0 HB3 GLN A 21 24.326 35.008 16.956 1.00 0.00 H new ATOM 0 HG2 GLN A 21 22.087 35.073 17.174 1.00 0.00 H new ATOM 0 HG3 GLN A 21 22.175 36.785 17.536 1.00 0.00 H new ATOM 0 HE21 GLN A 21 22.422 38.241 15.366 1.00 0.00 H new ATOM 0 HE22 GLN A 21 21.411 37.713 14.017 1.00 0.00 H new ATOM 383 N ARG A 22 23.720 39.219 18.199 1.00 0.00 N ATOM 384 CA ARG A 22 23.404 40.661 18.123 1.00 0.00 C ATOM 385 C ARG A 22 24.258 41.544 19.042 1.00 0.00 C ATOM 386 O ARG A 22 24.407 42.733 18.758 1.00 0.00 O ATOM 387 CB ARG A 22 21.897 40.914 18.318 1.00 0.00 C ATOM 388 CG ARG A 22 21.340 40.580 19.718 1.00 0.00 C ATOM 389 CD ARG A 22 20.006 41.285 20.009 1.00 0.00 C ATOM 390 NE ARG A 22 20.185 42.749 20.091 1.00 0.00 N ATOM 391 CZ ARG A 22 19.557 43.610 20.868 1.00 0.00 C ATOM 392 NH1 ARG A 22 18.573 43.279 21.648 1.00 0.00 N ATOM 393 NH2 ARG A 22 19.937 44.849 20.847 1.00 0.00 N1+ ATOM 0 H ARG A 22 23.567 38.823 19.126 1.00 0.00 H new ATOM 0 HA ARG A 22 23.674 40.968 17.113 1.00 0.00 H new ATOM 0 HB2 ARG A 22 21.693 41.964 18.106 1.00 0.00 H new ATOM 0 HB3 ARG A 22 21.350 40.328 17.580 1.00 0.00 H new ATOM 0 HG2 ARG A 22 21.202 39.502 19.802 1.00 0.00 H new ATOM 0 HG3 ARG A 22 22.071 40.868 20.474 1.00 0.00 H new ATOM 0 HD2 ARG A 22 19.287 41.047 19.225 1.00 0.00 H new ATOM 0 HD3 ARG A 22 19.591 40.913 20.946 1.00 0.00 H new ATOM 0 HE ARG A 22 20.886 43.146 19.465 1.00 0.00 H new ATOM 0 HH11 ARG A 22 18.251 42.312 21.680 1.00 0.00 H new ATOM 0 HH12 ARG A 22 18.122 43.986 22.229 1.00 0.00 H new ATOM 0 HH21 ARG A 22 20.704 45.137 20.240 1.00 0.00 H new ATOM 0 HH22 ARG A 22 19.469 45.536 21.438 1.00 0.00 H new ATOM 407 N ASN A 23 24.809 40.993 20.127 1.00 0.00 N ATOM 408 CA ASN A 23 25.537 41.741 21.152 1.00 0.00 C ATOM 409 C ASN A 23 26.603 40.879 21.860 1.00 0.00 C ATOM 410 O ASN A 23 26.275 39.971 22.622 1.00 0.00 O ATOM 411 CB ASN A 23 24.496 42.263 22.159 1.00 0.00 C ATOM 412 CG ASN A 23 25.073 43.190 23.211 1.00 0.00 C ATOM 413 OD1 ASN A 23 26.243 43.561 23.200 1.00 0.00 O ATOM 414 ND2 ASN A 23 24.246 43.609 24.132 1.00 0.00 N ATOM 0 H ASN A 23 24.760 39.993 20.320 1.00 0.00 H new ATOM 0 HA ASN A 23 26.081 42.564 20.688 1.00 0.00 H new ATOM 0 HB2 ASN A 23 23.711 42.789 21.616 1.00 0.00 H new ATOM 0 HB3 ASN A 23 24.026 41.414 22.655 1.00 0.00 H new ATOM 0 HD21 ASN A 23 24.570 44.253 24.854 1.00 0.00 H new ATOM 0 HD22 ASN A 23 23.276 43.292 24.129 1.00 0.00 H new ATOM 421 N ARG A 24 27.888 41.208 21.672 1.00 0.00 N ATOM 422 CA ARG A 24 29.034 40.541 22.331 1.00 0.00 C ATOM 423 C ARG A 24 29.300 41.024 23.771 1.00 0.00 C ATOM 424 O ARG A 24 30.093 40.393 24.476 1.00 0.00 O ATOM 425 CB ARG A 24 30.289 40.708 21.447 1.00 0.00 C ATOM 426 CG ARG A 24 30.177 39.956 20.108 1.00 0.00 C ATOM 427 CD ARG A 24 31.275 40.348 19.110 1.00 0.00 C ATOM 428 NE ARG A 24 32.607 39.805 19.437 1.00 0.00 N ATOM 429 CZ ARG A 24 33.784 40.402 19.347 1.00 0.00 C ATOM 430 NH1 ARG A 24 33.975 41.680 19.222 1.00 0.00 N ATOM 431 NH2 ARG A 24 34.860 39.683 19.374 1.00 0.00 N1+ ATOM 0 H ARG A 24 28.173 41.961 21.045 1.00 0.00 H new ATOM 0 HA ARG A 24 28.778 39.486 22.432 1.00 0.00 H new ATOM 0 HB2 ARG A 24 30.452 41.768 21.251 1.00 0.00 H new ATOM 0 HB3 ARG A 24 31.162 40.346 21.990 1.00 0.00 H new ATOM 0 HG2 ARG A 24 30.228 38.883 20.294 1.00 0.00 H new ATOM 0 HG3 ARG A 24 29.202 40.157 19.665 1.00 0.00 H new ATOM 0 HD2 ARG A 24 30.988 40.004 18.116 1.00 0.00 H new ATOM 0 HD3 ARG A 24 31.339 41.435 19.065 1.00 0.00 H new ATOM 0 HE ARG A 24 32.622 38.843 19.777 1.00 0.00 H new ATOM 0 HH11 ARG A 24 33.177 42.314 19.186 1.00 0.00 H new ATOM 0 HH12 ARG A 24 34.923 42.050 19.160 1.00 0.00 H new ATOM 0 HH21 ARG A 24 34.794 38.669 19.464 1.00 0.00 H new ATOM 0 HH22 ARG A 24 35.774 40.130 19.305 1.00 0.00 H new ATOM 445 N TYR A 25 28.657 42.118 24.202 1.00 0.00 N ATOM 446 CA TYR A 25 28.950 42.844 25.452 1.00 0.00 C ATOM 447 C TYR A 25 27.694 43.411 26.171 1.00 0.00 C ATOM 448 O TYR A 25 27.630 44.624 26.425 1.00 0.00 O ATOM 449 CB TYR A 25 29.962 43.964 25.148 1.00 0.00 C ATOM 450 CG TYR A 25 31.273 43.493 24.559 1.00 0.00 C ATOM 451 CD1 TYR A 25 32.228 42.883 25.390 1.00 0.00 C ATOM 452 CD2 TYR A 25 31.529 43.650 23.183 1.00 0.00 C ATOM 453 CE1 TYR A 25 33.445 42.443 24.845 1.00 0.00 C ATOM 454 CE2 TYR A 25 32.745 43.202 22.636 1.00 0.00 C ATOM 455 CZ TYR A 25 33.712 42.607 23.470 1.00 0.00 C ATOM 456 OH TYR A 25 34.919 42.247 22.965 1.00 0.00 O ATOM 0 H TYR A 25 27.892 42.539 23.674 1.00 0.00 H new ATOM 0 HA TYR A 25 29.370 42.122 26.152 1.00 0.00 H new ATOM 0 HB2 TYR A 25 29.503 44.671 24.457 1.00 0.00 H new ATOM 0 HB3 TYR A 25 30.169 44.507 26.070 1.00 0.00 H new ATOM 0 HD1 TYR A 25 32.027 42.753 26.443 1.00 0.00 H new ATOM 0 HD2 TYR A 25 30.791 44.115 22.547 1.00 0.00 H new ATOM 0 HE1 TYR A 25 34.181 41.976 25.483 1.00 0.00 H new ATOM 0 HE2 TYR A 25 32.937 43.314 21.579 1.00 0.00 H new ATOM 0 HH TYR A 25 34.937 42.425 22.001 1.00 0.00 H new ATOM 466 N PRO A 26 26.686 42.584 26.518 1.00 0.00 N ATOM 467 CA PRO A 26 25.498 43.031 27.251 1.00 0.00 C ATOM 468 C PRO A 26 25.829 43.604 28.639 1.00 0.00 C ATOM 469 O PRO A 26 26.699 43.095 29.357 1.00 0.00 O ATOM 470 CB PRO A 26 24.579 41.807 27.342 1.00 0.00 C ATOM 471 CG PRO A 26 25.551 40.630 27.253 1.00 0.00 C ATOM 472 CD PRO A 26 26.626 41.146 26.300 1.00 0.00 C ATOM 0 HA PRO A 26 25.016 43.857 26.729 1.00 0.00 H new ATOM 0 HB2 PRO A 26 24.017 41.795 28.276 1.00 0.00 H new ATOM 0 HB3 PRO A 26 23.851 41.790 26.531 1.00 0.00 H new ATOM 0 HG2 PRO A 26 25.965 40.374 28.228 1.00 0.00 H new ATOM 0 HG3 PRO A 26 25.066 39.734 26.867 1.00 0.00 H new ATOM 0 HD2 PRO A 26 27.589 40.678 26.505 1.00 0.00 H new ATOM 0 HD3 PRO A 26 26.374 40.917 25.264 1.00 0.00 H new ATOM 480 N ASP A 27 25.109 44.658 29.023 1.00 0.00 N ATOM 481 CA ASP A 27 25.267 45.362 30.300 1.00 0.00 C ATOM 482 C ASP A 27 24.943 44.466 31.506 1.00 0.00 C ATOM 483 O ASP A 27 24.126 43.551 31.399 1.00 0.00 O ATOM 484 CB ASP A 27 24.338 46.583 30.293 1.00 0.00 C ATOM 485 CG ASP A 27 24.632 47.563 31.425 1.00 0.00 C ATOM 486 OD1 ASP A 27 25.506 48.440 31.231 1.00 0.00 O ATOM 487 OD2 ASP A 27 23.945 47.515 32.475 1.00 0.00 O ATOM 0 H ASP A 27 24.377 45.059 28.437 1.00 0.00 H new ATOM 0 HA ASP A 27 26.310 45.663 30.402 1.00 0.00 H new ATOM 0 HB2 ASP A 27 24.434 47.100 29.338 1.00 0.00 H new ATOM 0 HB3 ASP A 27 23.304 46.246 30.371 1.00 0.00 H new ATOM 492 N MET A 28 25.506 44.759 32.679 1.00 0.00 N ATOM 493 CA MET A 28 25.180 44.081 33.944 1.00 0.00 C ATOM 494 C MET A 28 23.664 43.997 34.213 1.00 0.00 C ATOM 495 O MET A 28 23.166 42.932 34.580 1.00 0.00 O ATOM 496 CB MET A 28 25.945 44.760 35.097 1.00 0.00 C ATOM 497 CG MET A 28 25.576 46.239 35.307 1.00 0.00 C ATOM 498 SD MET A 28 26.628 47.175 36.450 1.00 0.00 S ATOM 499 CE MET A 28 26.399 46.211 37.965 1.00 0.00 C ATOM 0 H MET A 28 26.214 45.486 32.783 1.00 0.00 H new ATOM 0 HA MET A 28 25.505 43.043 33.867 1.00 0.00 H new ATOM 0 HB2 MET A 28 25.751 44.213 36.020 1.00 0.00 H new ATOM 0 HB3 MET A 28 27.015 44.687 34.902 1.00 0.00 H new ATOM 0 HG2 MET A 28 25.596 46.737 34.338 1.00 0.00 H new ATOM 0 HG3 MET A 28 24.549 46.287 35.670 1.00 0.00 H new ATOM 0 HE1 MET A 28 26.895 46.714 38.795 1.00 0.00 H new ATOM 0 HE2 MET A 28 25.334 46.119 38.180 1.00 0.00 H new ATOM 0 HE3 MET A 28 26.829 45.218 37.833 1.00 0.00 H new ATOM 509 N SER A 29 22.907 45.062 33.913 1.00 0.00 N ATOM 510 CA SER A 29 21.444 45.093 34.076 1.00 0.00 C ATOM 511 C SER A 29 20.690 44.278 33.007 1.00 0.00 C ATOM 512 O SER A 29 19.526 43.917 33.200 1.00 0.00 O ATOM 513 CB SER A 29 20.979 46.552 34.077 1.00 0.00 C ATOM 514 OG SER A 29 19.656 46.661 34.564 1.00 0.00 O ATOM 0 H SER A 29 23.294 45.932 33.548 1.00 0.00 H new ATOM 0 HA SER A 29 21.206 44.616 35.027 1.00 0.00 H new ATOM 0 HB2 SER A 29 21.648 47.150 34.695 1.00 0.00 H new ATOM 0 HB3 SER A 29 21.033 46.955 33.066 1.00 0.00 H new ATOM 0 HG SER A 29 19.381 47.602 34.557 1.00 0.00 H new ATOM 520 N THR A 30 21.348 43.950 31.891 1.00 0.00 N ATOM 521 CA THR A 30 20.823 43.131 30.781 1.00 0.00 C ATOM 522 C THR A 30 21.177 41.649 30.958 1.00 0.00 C ATOM 523 O THR A 30 20.326 40.785 30.744 1.00 0.00 O ATOM 524 CB THR A 30 21.364 43.651 29.436 1.00 0.00 C ATOM 525 OG1 THR A 30 21.124 45.036 29.309 1.00 0.00 O ATOM 526 CG2 THR A 30 20.716 42.978 28.228 1.00 0.00 C ATOM 0 H THR A 30 22.305 44.260 31.724 1.00 0.00 H new ATOM 0 HA THR A 30 19.736 43.216 30.788 1.00 0.00 H new ATOM 0 HB THR A 30 22.430 43.422 29.445 1.00 0.00 H new ATOM 0 HG1 THR A 30 21.475 45.351 28.450 1.00 0.00 H new ATOM 0 HG21 THR A 30 21.140 43.388 27.312 1.00 0.00 H new ATOM 0 HG22 THR A 30 20.903 41.905 28.266 1.00 0.00 H new ATOM 0 HG23 THR A 30 19.641 43.160 28.243 1.00 0.00 H new ATOM 534 N ARG A 31 22.396 41.327 31.425 1.00 0.00 N ATOM 535 CA ARG A 31 22.824 39.947 31.740 1.00 0.00 C ATOM 536 C ARG A 31 21.918 39.286 32.776 1.00 0.00 C ATOM 537 O ARG A 31 21.633 38.097 32.663 1.00 0.00 O ATOM 538 CB ARG A 31 24.285 39.918 32.222 1.00 0.00 C ATOM 539 CG ARG A 31 25.296 40.250 31.113 1.00 0.00 C ATOM 540 CD ARG A 31 26.742 39.884 31.490 1.00 0.00 C ATOM 541 NE ARG A 31 27.193 40.493 32.757 1.00 0.00 N ATOM 542 CZ ARG A 31 27.731 41.683 32.940 1.00 0.00 C ATOM 543 NH1 ARG A 31 27.830 42.574 31.995 1.00 0.00 N ATOM 544 NH2 ARG A 31 28.163 41.969 34.129 1.00 0.00 N1+ ATOM 0 H ARG A 31 23.122 42.023 31.597 1.00 0.00 H new ATOM 0 HA ARG A 31 22.745 39.375 30.815 1.00 0.00 H new ATOM 0 HB2 ARG A 31 24.405 40.629 33.039 1.00 0.00 H new ATOM 0 HB3 ARG A 31 24.508 38.930 32.624 1.00 0.00 H new ATOM 0 HG2 ARG A 31 25.017 39.718 30.204 1.00 0.00 H new ATOM 0 HG3 ARG A 31 25.243 41.315 30.888 1.00 0.00 H new ATOM 0 HD2 ARG A 31 26.825 38.800 31.567 1.00 0.00 H new ATOM 0 HD3 ARG A 31 27.409 40.199 30.687 1.00 0.00 H new ATOM 0 HE ARG A 31 27.074 39.923 33.594 1.00 0.00 H new ATOM 0 HH11 ARG A 31 27.482 42.366 31.059 1.00 0.00 H new ATOM 0 HH12 ARG A 31 28.255 43.480 32.191 1.00 0.00 H new ATOM 0 HH21 ARG A 31 28.080 41.284 34.880 1.00 0.00 H new ATOM 0 HH22 ARG A 31 28.586 42.879 34.313 1.00 0.00 H new ATOM 558 N GLU A 32 21.409 40.051 33.741 1.00 0.00 N ATOM 559 CA GLU A 32 20.441 39.532 34.709 1.00 0.00 C ATOM 560 C GLU A 32 19.015 39.336 34.156 1.00 0.00 C ATOM 561 O GLU A 32 18.269 38.564 34.751 1.00 0.00 O ATOM 562 CB GLU A 32 20.455 40.361 35.997 1.00 0.00 C ATOM 563 CG GLU A 32 19.912 41.785 35.846 1.00 0.00 C ATOM 564 CD GLU A 32 19.583 42.412 37.204 1.00 0.00 C ATOM 565 OE1 GLU A 32 20.164 42.015 38.244 1.00 0.00 O ATOM 566 OE2 GLU A 32 18.667 43.272 37.257 1.00 0.00 O ATOM 0 H GLU A 32 21.650 41.033 33.874 1.00 0.00 H new ATOM 0 HA GLU A 32 20.776 38.522 34.944 1.00 0.00 H new ATOM 0 HB2 GLU A 32 19.868 39.841 36.754 1.00 0.00 H new ATOM 0 HB3 GLU A 32 21.479 40.414 36.368 1.00 0.00 H new ATOM 0 HG2 GLU A 32 20.647 42.402 35.329 1.00 0.00 H new ATOM 0 HG3 GLU A 32 19.016 41.769 35.226 1.00 0.00 H new ATOM 573 N GLU A 33 18.632 39.947 33.027 1.00 0.00 N ATOM 574 CA GLU A 33 17.372 39.614 32.334 1.00 0.00 C ATOM 575 C GLU A 33 17.513 38.316 31.533 1.00 0.00 C ATOM 576 O GLU A 33 16.673 37.426 31.638 1.00 0.00 O ATOM 577 CB GLU A 33 16.900 40.741 31.402 1.00 0.00 C ATOM 578 CG GLU A 33 16.434 41.988 32.157 1.00 0.00 C ATOM 579 CD GLU A 33 15.629 42.901 31.229 1.00 0.00 C ATOM 580 OE1 GLU A 33 14.435 42.612 30.987 1.00 0.00 O ATOM 581 OE2 GLU A 33 16.181 43.905 30.714 1.00 0.00 O ATOM 0 H GLU A 33 19.177 40.678 32.570 1.00 0.00 H new ATOM 0 HA GLU A 33 16.620 39.483 33.112 1.00 0.00 H new ATOM 0 HB2 GLU A 33 17.714 41.013 30.730 1.00 0.00 H new ATOM 0 HB3 GLU A 33 16.083 40.373 30.781 1.00 0.00 H new ATOM 0 HG2 GLU A 33 15.823 41.697 33.012 1.00 0.00 H new ATOM 0 HG3 GLU A 33 17.296 42.527 32.550 1.00 0.00 H new ATOM 588 N ILE A 34 18.627 38.156 30.810 1.00 0.00 N ATOM 589 CA ILE A 34 18.979 36.915 30.092 1.00 0.00 C ATOM 590 C ILE A 34 19.002 35.713 31.060 1.00 0.00 C ATOM 591 O ILE A 34 18.596 34.600 30.709 1.00 0.00 O ATOM 592 CB ILE A 34 20.338 37.126 29.379 1.00 0.00 C ATOM 593 CG1 ILE A 34 20.228 38.222 28.289 1.00 0.00 C ATOM 594 CG2 ILE A 34 20.864 35.824 28.746 1.00 0.00 C ATOM 595 CD1 ILE A 34 21.573 38.877 27.955 1.00 0.00 C ATOM 0 H ILE A 34 19.323 38.893 30.702 1.00 0.00 H new ATOM 0 HA ILE A 34 18.225 36.687 29.339 1.00 0.00 H new ATOM 0 HB ILE A 34 21.047 37.446 30.143 1.00 0.00 H new ATOM 0 HG12 ILE A 34 19.809 37.784 27.383 1.00 0.00 H new ATOM 0 HG13 ILE A 34 19.530 38.990 28.624 1.00 0.00 H new ATOM 0 HG21 ILE A 34 21.819 36.017 28.257 1.00 0.00 H new ATOM 0 HG22 ILE A 34 21.000 35.071 29.522 1.00 0.00 H new ATOM 0 HG23 ILE A 34 20.146 35.461 28.010 1.00 0.00 H new ATOM 0 HD11 ILE A 34 21.427 39.635 27.185 1.00 0.00 H new ATOM 0 HD12 ILE A 34 21.983 39.343 28.851 1.00 0.00 H new ATOM 0 HD13 ILE A 34 22.266 38.119 27.591 1.00 0.00 H new ATOM 607 N ALA A 35 19.409 35.951 32.311 1.00 0.00 N ATOM 608 CA ALA A 35 19.373 34.982 33.400 1.00 0.00 C ATOM 609 C ALA A 35 17.948 34.561 33.844 1.00 0.00 C ATOM 610 O ALA A 35 17.805 33.490 34.432 1.00 0.00 O ATOM 611 CB ALA A 35 20.183 35.570 34.562 1.00 0.00 C ATOM 0 H ALA A 35 19.784 36.855 32.598 1.00 0.00 H new ATOM 0 HA ALA A 35 19.812 34.050 33.043 1.00 0.00 H new ATOM 0 HB1 ALA A 35 20.179 34.871 35.399 1.00 0.00 H new ATOM 0 HB2 ALA A 35 21.209 35.744 34.239 1.00 0.00 H new ATOM 0 HB3 ALA A 35 19.737 36.514 34.876 1.00 0.00 H new ATOM 617 N VAL A 36 16.891 35.334 33.558 1.00 0.00 N ATOM 618 CA VAL A 36 15.498 34.978 33.905 1.00 0.00 C ATOM 619 C VAL A 36 14.973 33.886 32.972 1.00 0.00 C ATOM 620 O VAL A 36 14.549 32.822 33.428 1.00 0.00 O ATOM 621 CB VAL A 36 14.550 36.201 33.877 1.00 0.00 C ATOM 622 CG1 VAL A 36 13.143 35.829 34.357 1.00 0.00 C ATOM 623 CG2 VAL A 36 15.044 37.339 34.774 1.00 0.00 C ATOM 0 H VAL A 36 16.973 36.230 33.077 1.00 0.00 H new ATOM 0 HA VAL A 36 15.515 34.602 34.928 1.00 0.00 H new ATOM 0 HB VAL A 36 14.531 36.529 32.838 1.00 0.00 H new ATOM 0 HG11 VAL A 36 12.503 36.711 34.325 1.00 0.00 H new ATOM 0 HG12 VAL A 36 12.730 35.056 33.709 1.00 0.00 H new ATOM 0 HG13 VAL A 36 13.194 35.455 35.380 1.00 0.00 H new ATOM 0 HG21 VAL A 36 14.345 38.174 34.720 1.00 0.00 H new ATOM 0 HG22 VAL A 36 15.111 36.988 35.804 1.00 0.00 H new ATOM 0 HG23 VAL A 36 16.028 37.667 34.437 1.00 0.00 H new ATOM 633 N TRP A 37 15.057 34.102 31.655 1.00 0.00 N ATOM 634 CA TRP A 37 14.519 33.182 30.634 1.00 0.00 C ATOM 635 C TRP A 37 15.205 31.813 30.707 1.00 0.00 C ATOM 636 O TRP A 37 14.558 30.766 30.617 1.00 0.00 O ATOM 637 CB TRP A 37 14.685 33.800 29.231 1.00 0.00 C ATOM 638 CG TRP A 37 14.595 35.296 29.168 1.00 0.00 C ATOM 639 CD1 TRP A 37 15.477 36.102 28.540 1.00 0.00 C ATOM 640 CD2 TRP A 37 13.647 36.188 29.833 1.00 0.00 C ATOM 641 NE1 TRP A 37 15.172 37.422 28.799 1.00 0.00 N ATOM 642 CE2 TRP A 37 14.079 37.535 29.633 1.00 0.00 C ATOM 643 CE3 TRP A 37 12.498 35.988 30.630 1.00 0.00 C ATOM 644 CZ2 TRP A 37 13.427 38.626 30.223 1.00 0.00 C ATOM 645 CZ3 TRP A 37 11.839 37.075 31.232 1.00 0.00 C ATOM 646 CH2 TRP A 37 12.309 38.386 31.042 1.00 0.00 C ATOM 0 H TRP A 37 15.505 34.928 31.258 1.00 0.00 H new ATOM 0 HA TRP A 37 13.458 33.031 30.831 1.00 0.00 H new ATOM 0 HB2 TRP A 37 15.652 33.495 28.831 1.00 0.00 H new ATOM 0 HB3 TRP A 37 13.922 33.380 28.576 1.00 0.00 H new ATOM 0 HD1 TRP A 37 16.299 35.764 27.926 1.00 0.00 H new ATOM 0 HE1 TRP A 37 15.690 38.215 28.421 1.00 0.00 H new ATOM 0 HE3 TRP A 37 12.121 34.987 30.779 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 13.777 39.633 30.052 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 10.966 36.901 31.844 1.00 0.00 H new ATOM 0 HH2 TRP A 37 11.810 39.212 31.527 1.00 0.00 H new ATOM 657 N THR A 38 16.514 31.841 30.964 1.00 0.00 N ATOM 658 CA THR A 38 17.393 30.673 31.088 1.00 0.00 C ATOM 659 C THR A 38 17.441 30.066 32.502 1.00 0.00 C ATOM 660 O THR A 38 17.986 28.973 32.662 1.00 0.00 O ATOM 661 CB THR A 38 18.815 31.036 30.626 1.00 0.00 C ATOM 662 OG1 THR A 38 19.321 32.080 31.422 1.00 0.00 O ATOM 663 CG2 THR A 38 18.878 31.497 29.170 1.00 0.00 C ATOM 0 H THR A 38 17.015 32.719 31.098 1.00 0.00 H new ATOM 0 HA THR A 38 16.964 29.905 30.445 1.00 0.00 H new ATOM 0 HB THR A 38 19.405 30.125 30.724 1.00 0.00 H new ATOM 0 HG1 THR A 38 19.000 32.939 31.077 1.00 0.00 H new ATOM 0 HG21 THR A 38 19.909 31.737 28.909 1.00 0.00 H new ATOM 0 HG22 THR A 38 18.515 30.701 28.520 1.00 0.00 H new ATOM 0 HG23 THR A 38 18.255 32.382 29.041 1.00 0.00 H new ATOM 671 N ASN A 39 16.853 30.707 33.522 1.00 0.00 N ATOM 672 CA ASN A 39 16.941 30.310 34.941 1.00 0.00 C ATOM 673 C ASN A 39 18.389 30.290 35.508 1.00 0.00 C ATOM 674 O ASN A 39 18.683 29.607 36.494 1.00 0.00 O ATOM 675 CB ASN A 39 16.104 29.030 35.164 1.00 0.00 C ATOM 676 CG ASN A 39 15.991 28.600 36.617 1.00 0.00 C ATOM 677 OD1 ASN A 39 15.637 29.375 37.499 1.00 0.00 O ATOM 678 ND2 ASN A 39 16.294 27.358 36.906 1.00 0.00 N ATOM 0 H ASN A 39 16.285 31.542 33.382 1.00 0.00 H new ATOM 0 HA ASN A 39 16.492 31.089 35.557 1.00 0.00 H new ATOM 0 HB2 ASN A 39 15.102 29.192 34.767 1.00 0.00 H new ATOM 0 HB3 ASN A 39 16.547 28.216 34.590 1.00 0.00 H new ATOM 0 HD21 ASN A 39 16.236 27.030 37.870 1.00 0.00 H new ATOM 0 HD22 ASN A 39 16.588 26.719 36.167 1.00 0.00 H new ATOM 685 N LEU A 40 19.297 31.069 34.913 1.00 0.00 N ATOM 686 CA LEU A 40 20.660 31.334 35.396 1.00 0.00 C ATOM 687 C LEU A 40 20.684 32.434 36.483 1.00 0.00 C ATOM 688 O LEU A 40 19.646 32.929 36.932 1.00 0.00 O ATOM 689 CB LEU A 40 21.558 31.676 34.175 1.00 0.00 C ATOM 690 CG LEU A 40 22.409 30.503 33.657 1.00 0.00 C ATOM 691 CD1 LEU A 40 21.567 29.319 33.199 1.00 0.00 C ATOM 692 CD2 LEU A 40 23.265 30.958 32.475 1.00 0.00 C ATOM 0 H LEU A 40 19.094 31.556 34.040 1.00 0.00 H new ATOM 0 HA LEU A 40 21.056 30.443 35.884 1.00 0.00 H new ATOM 0 HB2 LEU A 40 20.924 32.034 33.364 1.00 0.00 H new ATOM 0 HB3 LEU A 40 22.222 32.497 34.447 1.00 0.00 H new ATOM 0 HG LEU A 40 23.029 30.182 34.494 1.00 0.00 H new ATOM 0 HD11 LEU A 40 22.221 28.523 32.844 1.00 0.00 H new ATOM 0 HD12 LEU A 40 20.969 28.953 34.034 1.00 0.00 H new ATOM 0 HD13 LEU A 40 20.907 29.633 32.391 1.00 0.00 H new ATOM 0 HD21 LEU A 40 23.864 30.121 32.116 1.00 0.00 H new ATOM 0 HD22 LEU A 40 22.618 31.313 31.672 1.00 0.00 H new ATOM 0 HD23 LEU A 40 23.925 31.765 32.793 1.00 0.00 H new ATOM 704 N THR A 41 21.892 32.831 36.883 1.00 0.00 N ATOM 705 CA THR A 41 22.224 34.032 37.672 1.00 0.00 C ATOM 706 C THR A 41 23.266 34.840 36.882 1.00 0.00 C ATOM 707 O THR A 41 24.025 34.240 36.120 1.00 0.00 O ATOM 708 CB THR A 41 22.773 33.633 39.058 1.00 0.00 C ATOM 709 OG1 THR A 41 21.974 32.625 39.644 1.00 0.00 O ATOM 710 CG2 THR A 41 22.834 34.798 40.043 1.00 0.00 C ATOM 0 H THR A 41 22.725 32.290 36.652 1.00 0.00 H new ATOM 0 HA THR A 41 21.332 34.636 37.838 1.00 0.00 H new ATOM 0 HB THR A 41 23.787 33.278 38.872 1.00 0.00 H new ATOM 0 HG1 THR A 41 22.340 32.386 40.521 1.00 0.00 H new ATOM 0 HG21 THR A 41 23.229 34.448 40.997 1.00 0.00 H new ATOM 0 HG22 THR A 41 23.484 35.577 39.645 1.00 0.00 H new ATOM 0 HG23 THR A 41 21.833 35.202 40.191 1.00 0.00 H new ATOM 718 N GLU A 42 23.344 36.170 37.028 1.00 0.00 N ATOM 719 CA GLU A 42 24.207 37.042 36.195 1.00 0.00 C ATOM 720 C GLU A 42 25.655 36.544 36.030 1.00 0.00 C ATOM 721 O GLU A 42 26.149 36.485 34.905 1.00 0.00 O ATOM 722 CB GLU A 42 24.190 38.476 36.754 1.00 0.00 C ATOM 723 CG GLU A 42 25.036 39.485 35.948 1.00 0.00 C ATOM 724 CD GLU A 42 26.512 39.587 36.374 1.00 0.00 C ATOM 725 OE1 GLU A 42 26.807 39.660 37.592 1.00 0.00 O ATOM 726 OE2 GLU A 42 27.401 39.673 35.493 1.00 0.00 O ATOM 0 H GLU A 42 22.809 36.682 37.730 1.00 0.00 H new ATOM 0 HA GLU A 42 23.781 37.017 35.192 1.00 0.00 H new ATOM 0 HB2 GLU A 42 23.159 38.828 36.786 1.00 0.00 H new ATOM 0 HB3 GLU A 42 24.552 38.456 37.782 1.00 0.00 H new ATOM 0 HG2 GLU A 42 24.996 39.209 34.894 1.00 0.00 H new ATOM 0 HG3 GLU A 42 24.579 40.471 36.037 1.00 0.00 H new ATOM 733 N ALA A 43 26.314 36.111 37.109 1.00 0.00 N ATOM 734 CA ALA A 43 27.681 35.582 37.051 1.00 0.00 C ATOM 735 C ALA A 43 27.823 34.349 36.133 1.00 0.00 C ATOM 736 O ALA A 43 28.823 34.211 35.432 1.00 0.00 O ATOM 737 CB ALA A 43 28.122 35.262 38.482 1.00 0.00 C ATOM 0 H ALA A 43 25.915 36.117 38.048 1.00 0.00 H new ATOM 0 HA ALA A 43 28.327 36.339 36.607 1.00 0.00 H new ATOM 0 HB1 ALA A 43 29.137 34.866 38.470 1.00 0.00 H new ATOM 0 HB2 ALA A 43 28.094 36.171 39.083 1.00 0.00 H new ATOM 0 HB3 ALA A 43 27.449 34.521 38.913 1.00 0.00 H new ATOM 743 N ARG A 44 26.800 33.483 36.060 1.00 0.00 N ATOM 744 CA ARG A 44 26.768 32.311 35.164 1.00 0.00 C ATOM 745 C ARG A 44 26.740 32.744 33.692 1.00 0.00 C ATOM 746 O ARG A 44 27.447 32.175 32.864 1.00 0.00 O ATOM 747 CB ARG A 44 25.554 31.415 35.489 1.00 0.00 C ATOM 748 CG ARG A 44 25.386 31.002 36.967 1.00 0.00 C ATOM 749 CD ARG A 44 26.540 30.156 37.517 1.00 0.00 C ATOM 750 NE ARG A 44 26.620 28.859 36.825 1.00 0.00 N ATOM 751 CZ ARG A 44 27.608 28.413 36.073 1.00 0.00 C ATOM 752 NH1 ARG A 44 28.793 28.945 36.039 1.00 0.00 N ATOM 753 NH2 ARG A 44 27.415 27.400 35.292 1.00 0.00 N1+ ATOM 0 H ARG A 44 25.959 33.577 36.629 1.00 0.00 H new ATOM 0 HA ARG A 44 27.678 31.735 35.328 1.00 0.00 H new ATOM 0 HB2 ARG A 44 24.650 31.936 35.174 1.00 0.00 H new ATOM 0 HB3 ARG A 44 25.626 30.509 34.887 1.00 0.00 H new ATOM 0 HG2 ARG A 44 25.287 31.901 37.575 1.00 0.00 H new ATOM 0 HG3 ARG A 44 24.457 30.442 37.073 1.00 0.00 H new ATOM 0 HD2 ARG A 44 27.480 30.695 37.397 1.00 0.00 H new ATOM 0 HD3 ARG A 44 26.400 29.994 38.586 1.00 0.00 H new ATOM 0 HE ARG A 44 25.822 28.235 36.940 1.00 0.00 H new ATOM 0 HH11 ARG A 44 29.004 29.758 36.618 1.00 0.00 H new ATOM 0 HH12 ARG A 44 29.512 28.549 35.434 1.00 0.00 H new ATOM 0 HH21 ARG A 44 26.501 26.948 35.259 1.00 0.00 H new ATOM 0 HH22 ARG A 44 28.177 27.053 34.709 1.00 0.00 H new ATOM 767 N VAL A 45 25.973 33.796 33.382 1.00 0.00 N ATOM 768 CA VAL A 45 25.939 34.422 32.045 1.00 0.00 C ATOM 769 C VAL A 45 27.288 35.082 31.732 1.00 0.00 C ATOM 770 O VAL A 45 27.806 34.919 30.630 1.00 0.00 O ATOM 771 CB VAL A 45 24.781 35.442 31.929 1.00 0.00 C ATOM 772 CG1 VAL A 45 24.674 36.033 30.516 1.00 0.00 C ATOM 773 CG2 VAL A 45 23.423 34.808 32.263 1.00 0.00 C ATOM 0 H VAL A 45 25.351 34.244 34.055 1.00 0.00 H new ATOM 0 HA VAL A 45 25.758 33.639 31.308 1.00 0.00 H new ATOM 0 HB VAL A 45 25.016 36.228 32.647 1.00 0.00 H new ATOM 0 HG11 VAL A 45 23.848 36.744 30.480 1.00 0.00 H new ATOM 0 HG12 VAL A 45 25.603 36.544 30.264 1.00 0.00 H new ATOM 0 HG13 VAL A 45 24.494 35.232 29.799 1.00 0.00 H new ATOM 0 HG21 VAL A 45 22.638 35.559 32.169 1.00 0.00 H new ATOM 0 HG22 VAL A 45 23.225 33.988 31.573 1.00 0.00 H new ATOM 0 HG23 VAL A 45 23.441 34.427 33.284 1.00 0.00 H new ATOM 783 N ARG A 46 27.895 35.769 32.710 1.00 0.00 N ATOM 784 CA ARG A 46 29.202 36.436 32.583 1.00 0.00 C ATOM 785 C ARG A 46 30.331 35.455 32.232 1.00 0.00 C ATOM 786 O ARG A 46 31.087 35.727 31.298 1.00 0.00 O ATOM 787 CB ARG A 46 29.501 37.191 33.890 1.00 0.00 C ATOM 788 CG ARG A 46 30.465 38.366 33.673 1.00 0.00 C ATOM 789 CD ARG A 46 31.130 38.811 34.980 1.00 0.00 C ATOM 790 NE ARG A 46 30.168 39.133 36.052 1.00 0.00 N ATOM 791 CZ ARG A 46 30.445 39.158 37.343 1.00 0.00 C ATOM 792 NH1 ARG A 46 31.648 38.978 37.815 1.00 0.00 N ATOM 793 NH2 ARG A 46 29.489 39.360 38.196 1.00 0.00 N1+ ATOM 0 H ARG A 46 27.481 35.880 33.636 1.00 0.00 H new ATOM 0 HA ARG A 46 29.153 37.141 31.753 1.00 0.00 H new ATOM 0 HB2 ARG A 46 28.568 37.562 34.315 1.00 0.00 H new ATOM 0 HB3 ARG A 46 29.930 36.501 34.616 1.00 0.00 H new ATOM 0 HG2 ARG A 46 31.233 38.077 32.955 1.00 0.00 H new ATOM 0 HG3 ARG A 46 29.922 39.205 33.238 1.00 0.00 H new ATOM 0 HD2 ARG A 46 31.796 38.021 35.326 1.00 0.00 H new ATOM 0 HD3 ARG A 46 31.749 39.687 34.783 1.00 0.00 H new ATOM 0 HE ARG A 46 29.212 39.354 35.773 1.00 0.00 H new ATOM 0 HH11 ARG A 46 32.426 38.809 37.177 1.00 0.00 H new ATOM 0 HH12 ARG A 46 31.810 39.007 38.822 1.00 0.00 H new ATOM 0 HH21 ARG A 46 28.533 39.498 37.868 1.00 0.00 H new ATOM 0 HH22 ARG A 46 29.693 39.381 39.195 1.00 0.00 H new ATOM 807 N VAL A 47 30.386 34.299 32.906 1.00 0.00 N ATOM 808 CA VAL A 47 31.321 33.197 32.592 1.00 0.00 C ATOM 809 C VAL A 47 31.098 32.688 31.165 1.00 0.00 C ATOM 810 O VAL A 47 32.048 32.611 30.384 1.00 0.00 O ATOM 811 CB VAL A 47 31.207 32.046 33.618 1.00 0.00 C ATOM 812 CG1 VAL A 47 32.001 30.794 33.212 1.00 0.00 C ATOM 813 CG2 VAL A 47 31.749 32.486 34.982 1.00 0.00 C ATOM 0 H VAL A 47 29.776 34.094 33.697 1.00 0.00 H new ATOM 0 HA VAL A 47 32.335 33.592 32.659 1.00 0.00 H new ATOM 0 HB VAL A 47 30.146 31.802 33.660 1.00 0.00 H new ATOM 0 HG11 VAL A 47 31.880 30.023 33.973 1.00 0.00 H new ATOM 0 HG12 VAL A 47 31.630 30.422 32.257 1.00 0.00 H new ATOM 0 HG13 VAL A 47 33.057 31.048 33.117 1.00 0.00 H new ATOM 0 HG21 VAL A 47 31.661 31.663 35.691 1.00 0.00 H new ATOM 0 HG22 VAL A 47 32.797 32.769 34.883 1.00 0.00 H new ATOM 0 HG23 VAL A 47 31.175 33.340 35.343 1.00 0.00 H new ATOM 823 N TRP A 48 29.844 32.407 30.785 1.00 0.00 N ATOM 824 CA TRP A 48 29.536 31.888 29.449 1.00 0.00 C ATOM 825 C TRP A 48 29.926 32.862 28.329 1.00 0.00 C ATOM 826 O TRP A 48 30.452 32.427 27.301 1.00 0.00 O ATOM 827 CB TRP A 48 28.053 31.512 29.349 1.00 0.00 C ATOM 828 CG TRP A 48 27.728 30.668 28.152 1.00 0.00 C ATOM 829 CD1 TRP A 48 27.739 29.318 28.144 1.00 0.00 C ATOM 830 CD2 TRP A 48 27.403 31.067 26.780 1.00 0.00 C ATOM 831 NE1 TRP A 48 27.451 28.850 26.879 1.00 0.00 N ATOM 832 CE2 TRP A 48 27.187 29.883 26.007 1.00 0.00 C ATOM 833 CE3 TRP A 48 27.292 32.302 26.103 1.00 0.00 C ATOM 834 CZ2 TRP A 48 26.840 29.928 24.648 1.00 0.00 C ATOM 835 CZ3 TRP A 48 26.956 32.358 24.734 1.00 0.00 C ATOM 836 CH2 TRP A 48 26.713 31.175 24.012 1.00 0.00 C ATOM 0 H TRP A 48 29.028 32.531 31.385 1.00 0.00 H new ATOM 0 HA TRP A 48 30.142 30.993 29.309 1.00 0.00 H new ATOM 0 HB2 TRP A 48 27.761 30.976 30.252 1.00 0.00 H new ATOM 0 HB3 TRP A 48 27.457 32.424 29.313 1.00 0.00 H new ATOM 0 HD1 TRP A 48 27.943 28.696 29.003 1.00 0.00 H new ATOM 0 HE1 TRP A 48 27.435 27.863 26.622 1.00 0.00 H new ATOM 0 HE3 TRP A 48 27.468 33.220 26.644 1.00 0.00 H new ATOM 0 HZ2 TRP A 48 26.672 29.014 24.097 1.00 0.00 H new ATOM 0 HZ3 TRP A 48 26.885 33.314 24.237 1.00 0.00 H new ATOM 0 HH2 TRP A 48 26.429 31.225 22.971 1.00 0.00 H new ATOM 847 N PHE A 49 29.718 34.168 28.530 1.00 0.00 N ATOM 848 CA PHE A 49 30.096 35.215 27.576 1.00 0.00 C ATOM 849 C PHE A 49 31.615 35.420 27.488 1.00 0.00 C ATOM 850 O PHE A 49 32.140 35.472 26.371 1.00 0.00 O ATOM 851 CB PHE A 49 29.364 36.529 27.899 1.00 0.00 C ATOM 852 CG PHE A 49 28.046 36.697 27.162 1.00 0.00 C ATOM 853 CD1 PHE A 49 26.941 35.881 27.473 1.00 0.00 C ATOM 854 CD2 PHE A 49 27.933 37.653 26.133 1.00 0.00 C ATOM 855 CE1 PHE A 49 25.739 36.010 26.752 1.00 0.00 C ATOM 856 CE2 PHE A 49 26.731 37.783 25.417 1.00 0.00 C ATOM 857 CZ PHE A 49 25.636 36.957 25.721 1.00 0.00 C ATOM 0 H PHE A 49 29.275 34.532 29.374 1.00 0.00 H new ATOM 0 HA PHE A 49 29.782 34.879 26.588 1.00 0.00 H new ATOM 0 HB2 PHE A 49 29.177 36.575 28.972 1.00 0.00 H new ATOM 0 HB3 PHE A 49 30.016 37.367 27.652 1.00 0.00 H new ATOM 0 HD1 PHE A 49 27.016 35.154 28.268 1.00 0.00 H new ATOM 0 HD2 PHE A 49 28.773 38.288 25.894 1.00 0.00 H new ATOM 0 HE1 PHE A 49 24.895 35.380 26.992 1.00 0.00 H new ATOM 0 HE2 PHE A 49 26.649 38.519 24.631 1.00 0.00 H new ATOM 0 HZ PHE A 49 24.716 37.050 25.162 1.00 0.00 H new ATOM 867 N LYS A 50 32.353 35.470 28.613 1.00 0.00 N ATOM 868 CA LYS A 50 33.822 35.594 28.545 1.00 0.00 C ATOM 869 C LYS A 50 34.475 34.360 27.919 1.00 0.00 C ATOM 870 O LYS A 50 35.411 34.526 27.142 1.00 0.00 O ATOM 871 CB LYS A 50 34.460 36.032 29.877 1.00 0.00 C ATOM 872 CG LYS A 50 34.543 34.962 30.977 1.00 0.00 C ATOM 873 CD LYS A 50 35.169 35.500 32.278 1.00 0.00 C ATOM 874 CE LYS A 50 36.677 35.780 32.147 1.00 0.00 C ATOM 875 NZ LYS A 50 37.223 36.424 33.363 1.00 0.00 N1+ ATOM 0 H LYS A 50 31.969 35.428 29.557 1.00 0.00 H new ATOM 0 HA LYS A 50 34.032 36.418 27.863 1.00 0.00 H new ATOM 0 HB2 LYS A 50 35.469 36.390 29.672 1.00 0.00 H new ATOM 0 HB3 LYS A 50 33.894 36.879 30.265 1.00 0.00 H new ATOM 0 HG2 LYS A 50 33.543 34.584 31.188 1.00 0.00 H new ATOM 0 HG3 LYS A 50 35.132 34.119 30.616 1.00 0.00 H new ATOM 0 HD2 LYS A 50 34.658 36.418 32.568 1.00 0.00 H new ATOM 0 HD3 LYS A 50 35.007 34.778 33.079 1.00 0.00 H new ATOM 0 HE2 LYS A 50 37.206 34.845 31.962 1.00 0.00 H new ATOM 0 HE3 LYS A 50 36.854 36.422 31.284 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 38.241 36.597 33.237 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 36.736 37.328 33.526 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 37.077 35.800 34.182 1.00 0.00 H new ATOM 889 N ASN A 51 33.928 33.156 28.122 1.00 0.00 N ATOM 890 CA ASN A 51 34.369 31.960 27.393 1.00 0.00 C ATOM 891 C ASN A 51 34.010 31.993 25.900 1.00 0.00 C ATOM 892 O ASN A 51 34.839 31.596 25.081 1.00 0.00 O ATOM 893 CB ASN A 51 33.843 30.690 28.079 1.00 0.00 C ATOM 894 CG ASN A 51 34.723 30.266 29.240 1.00 0.00 C ATOM 895 OD1 ASN A 51 35.945 30.357 29.202 1.00 0.00 O ATOM 896 ND2 ASN A 51 34.134 29.757 30.287 1.00 0.00 N ATOM 0 H ASN A 51 33.175 32.983 28.788 1.00 0.00 H new ATOM 0 HA ASN A 51 35.458 31.948 27.429 1.00 0.00 H new ATOM 0 HB2 ASN A 51 32.829 30.865 28.438 1.00 0.00 H new ATOM 0 HB3 ASN A 51 33.788 29.881 27.351 1.00 0.00 H new ATOM 0 HD21 ASN A 51 34.690 29.433 31.078 1.00 0.00 H new ATOM 0 HD22 ASN A 51 33.117 29.683 30.315 1.00 0.00 H new ATOM 903 N ARG A 52 32.844 32.535 25.509 1.00 0.00 N ATOM 904 CA ARG A 52 32.493 32.723 24.086 1.00 0.00 C ATOM 905 C ARG A 52 33.490 33.623 23.360 1.00 0.00 C ATOM 906 O ARG A 52 33.832 33.350 22.212 1.00 0.00 O ATOM 907 CB ARG A 52 31.057 33.273 23.940 1.00 0.00 C ATOM 908 CG ARG A 52 30.253 32.621 22.795 1.00 0.00 C ATOM 909 CD ARG A 52 30.146 31.087 22.894 1.00 0.00 C ATOM 910 NE ARG A 52 29.940 30.653 24.289 1.00 0.00 N ATOM 911 CZ ARG A 52 30.533 29.659 24.921 1.00 0.00 C ATOM 912 NH1 ARG A 52 31.168 28.706 24.309 1.00 0.00 N1+ ATOM 913 NH2 ARG A 52 30.511 29.625 26.215 1.00 0.00 N ATOM 0 H ARG A 52 32.125 32.852 26.159 1.00 0.00 H new ATOM 0 HA ARG A 52 32.540 31.741 23.615 1.00 0.00 H new ATOM 0 HB2 ARG A 52 30.523 33.122 24.878 1.00 0.00 H new ATOM 0 HB3 ARG A 52 31.105 34.349 23.771 1.00 0.00 H new ATOM 0 HG2 ARG A 52 29.249 33.044 22.784 1.00 0.00 H new ATOM 0 HG3 ARG A 52 30.719 32.881 21.845 1.00 0.00 H new ATOM 0 HD2 ARG A 52 29.319 30.737 22.276 1.00 0.00 H new ATOM 0 HD3 ARG A 52 31.054 30.631 22.499 1.00 0.00 H new ATOM 0 HE ARG A 52 29.258 31.185 24.829 1.00 0.00 H new ATOM 0 HH11 ARG A 52 31.225 28.703 23.291 1.00 0.00 H new ATOM 0 HH12 ARG A 52 31.610 27.960 24.847 1.00 0.00 H new ATOM 0 HH21 ARG A 52 30.038 30.363 26.737 1.00 0.00 H new ATOM 0 HH22 ARG A 52 30.967 28.860 26.713 1.00 0.00 H new