USER MOD reduce.3.24.130724 H: found=0, std=0, add=368, rem=0, adj=8 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= 0.00778 USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 11 GLN : amide:sc= -0.149 X(o=-0.15,f=0) USER MOD Single : A 12 GLN : amide:sc= 0.564 K(o=0.56,f=-1.3) USER MOD Single : A 14 GLN : amide:sc= 0.642 K(o=0.64,f=0) USER MOD Single : A 19 THR OG1 : rot 111:sc= 1.25 USER MOD Single : A 21 GLN : amide:sc= 0.987 K(o=0.99,f=0) USER MOD Single : A 23 ASN : amide:sc= 0.502 K(o=0.5,f=-5.2!) USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 29 SER OG : rot 180:sc=-0.00509 USER MOD Single : A 30 THR OG1 : rot -170:sc= 0.0126 USER MOD Single : A 38 THR OG1 : rot -89:sc= 1.26 USER MOD Single : A 39 ASN : amide:sc= -0.23 K(o=-0.23,f=-1.3) 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= 0.552 K(o=0.55,f=-0.0097) USER MOD ----------------------------------------------------------------- ATOM 178 N THR A 9 22.833 23.580 28.405 1.00 0.00 N ATOM 179 CA THR A 9 21.915 22.777 27.580 1.00 0.00 C ATOM 180 C THR A 9 21.382 23.577 26.383 1.00 0.00 C ATOM 181 O THR A 9 21.429 24.813 26.373 1.00 0.00 O ATOM 182 CB THR A 9 20.738 22.208 28.405 1.00 0.00 C ATOM 183 OG1 THR A 9 19.708 23.165 28.499 1.00 0.00 O ATOM 184 CG2 THR A 9 21.103 21.817 29.840 1.00 0.00 C ATOM 0 HA THR A 9 22.498 21.937 27.202 1.00 0.00 H new ATOM 0 HB THR A 9 20.433 21.308 27.871 1.00 0.00 H new ATOM 0 HG1 THR A 9 18.966 22.796 29.022 1.00 0.00 H new ATOM 0 HG21 THR A 9 20.220 21.428 30.347 1.00 0.00 H new ATOM 0 HG22 THR A 9 21.878 21.051 29.822 1.00 0.00 H new ATOM 0 HG23 THR A 9 21.471 22.693 30.374 1.00 0.00 H new ATOM 192 N SER A 10 20.778 22.895 25.408 1.00 0.00 N ATOM 193 CA SER A 10 20.022 23.512 24.307 1.00 0.00 C ATOM 194 C SER A 10 18.846 24.394 24.766 1.00 0.00 C ATOM 195 O SER A 10 18.389 25.240 23.994 1.00 0.00 O ATOM 196 CB SER A 10 19.506 22.417 23.365 1.00 0.00 C ATOM 197 OG SER A 10 18.651 21.539 24.071 1.00 0.00 O ATOM 0 H SER A 10 20.799 21.876 25.357 1.00 0.00 H new ATOM 0 HA SER A 10 20.717 24.177 23.794 1.00 0.00 H new ATOM 0 HB2 SER A 10 18.970 22.867 22.529 1.00 0.00 H new ATOM 0 HB3 SER A 10 20.345 21.862 22.944 1.00 0.00 H new ATOM 0 HG SER A 10 18.323 20.843 23.464 1.00 0.00 H new ATOM 203 N GLN A 11 18.360 24.262 26.009 1.00 0.00 N ATOM 204 CA GLN A 11 17.394 25.190 26.616 1.00 0.00 C ATOM 205 C GLN A 11 18.067 26.489 27.093 1.00 0.00 C ATOM 206 O GLN A 11 17.499 27.572 26.936 1.00 0.00 O ATOM 207 CB GLN A 11 16.680 24.491 27.786 1.00 0.00 C ATOM 208 CG GLN A 11 15.442 25.236 28.308 1.00 0.00 C ATOM 209 CD GLN A 11 14.161 24.869 27.570 1.00 0.00 C ATOM 210 OE1 GLN A 11 13.294 24.197 28.106 1.00 0.00 O ATOM 211 NE2 GLN A 11 13.957 25.304 26.348 1.00 0.00 N ATOM 0 H GLN A 11 18.630 23.498 26.629 1.00 0.00 H new ATOM 0 HA GLN A 11 16.665 25.469 25.855 1.00 0.00 H new ATOM 0 HB2 GLN A 11 16.381 23.492 27.469 1.00 0.00 H new ATOM 0 HB3 GLN A 11 17.387 24.367 28.606 1.00 0.00 H new ATOM 0 HG2 GLN A 11 15.317 25.019 29.369 1.00 0.00 H new ATOM 0 HG3 GLN A 11 15.609 26.310 28.220 1.00 0.00 H new ATOM 0 HE21 GLN A 11 14.668 25.867 25.882 1.00 0.00 H new ATOM 0 HE22 GLN A 11 13.087 25.079 25.865 1.00 0.00 H new ATOM 220 N GLN A 12 19.279 26.395 27.649 1.00 0.00 N ATOM 221 CA GLN A 12 20.002 27.547 28.198 1.00 0.00 C ATOM 222 C GLN A 12 20.599 28.421 27.086 1.00 0.00 C ATOM 223 O GLN A 12 20.485 29.646 27.113 1.00 0.00 O ATOM 224 CB GLN A 12 21.118 27.084 29.158 1.00 0.00 C ATOM 225 CG GLN A 12 20.724 26.067 30.245 1.00 0.00 C ATOM 226 CD GLN A 12 19.586 26.520 31.151 1.00 0.00 C ATOM 227 OE1 GLN A 12 18.464 26.756 30.724 1.00 0.00 O ATOM 228 NE2 GLN A 12 19.808 26.629 32.438 1.00 0.00 N ATOM 0 H GLN A 12 19.788 25.515 27.731 1.00 0.00 H new ATOM 0 HA GLN A 12 19.281 28.148 28.753 1.00 0.00 H new ATOM 0 HB2 GLN A 12 21.920 26.649 28.561 1.00 0.00 H new ATOM 0 HB3 GLN A 12 21.529 27.965 29.651 1.00 0.00 H new ATOM 0 HG2 GLN A 12 20.438 25.132 29.763 1.00 0.00 H new ATOM 0 HG3 GLN A 12 21.599 25.854 30.860 1.00 0.00 H new ATOM 0 HE21 GLN A 12 20.737 26.436 32.813 1.00 0.00 H new ATOM 0 HE22 GLN A 12 19.052 26.906 33.064 1.00 0.00 H new ATOM 237 N LEU A 13 21.222 27.789 26.087 1.00 0.00 N ATOM 238 CA LEU A 13 22.005 28.467 25.048 1.00 0.00 C ATOM 239 C LEU A 13 21.177 29.438 24.194 1.00 0.00 C ATOM 240 O LEU A 13 21.694 30.475 23.788 1.00 0.00 O ATOM 241 CB LEU A 13 22.667 27.394 24.163 1.00 0.00 C ATOM 242 CG LEU A 13 23.798 26.622 24.866 1.00 0.00 C ATOM 243 CD1 LEU A 13 24.169 25.388 24.053 1.00 0.00 C ATOM 244 CD2 LEU A 13 25.051 27.480 25.029 1.00 0.00 C ATOM 0 H LEU A 13 21.196 26.775 25.975 1.00 0.00 H new ATOM 0 HA LEU A 13 22.757 29.082 25.542 1.00 0.00 H new ATOM 0 HB2 LEU A 13 21.906 26.686 23.835 1.00 0.00 H new ATOM 0 HB3 LEU A 13 23.066 27.870 23.268 1.00 0.00 H new ATOM 0 HG LEU A 13 23.431 26.339 25.852 1.00 0.00 H new ATOM 0 HD11 LEU A 13 24.970 24.847 24.557 1.00 0.00 H new ATOM 0 HD12 LEU A 13 23.298 24.740 23.957 1.00 0.00 H new ATOM 0 HD13 LEU A 13 24.505 25.693 23.062 1.00 0.00 H new ATOM 0 HD21 LEU A 13 25.827 26.900 25.529 1.00 0.00 H new ATOM 0 HD22 LEU A 13 25.408 27.793 24.048 1.00 0.00 H new ATOM 0 HD23 LEU A 13 24.814 28.360 25.626 1.00 0.00 H new ATOM 256 N GLN A 14 19.897 29.137 23.963 1.00 0.00 N ATOM 257 CA GLN A 14 19.025 29.864 23.030 1.00 0.00 C ATOM 258 C GLN A 14 18.764 31.336 23.399 1.00 0.00 C ATOM 259 O GLN A 14 18.489 32.137 22.507 1.00 0.00 O ATOM 260 CB GLN A 14 17.708 29.086 22.893 1.00 0.00 C ATOM 261 CG GLN A 14 17.871 27.820 22.034 1.00 0.00 C ATOM 262 CD GLN A 14 17.740 28.110 20.543 1.00 0.00 C ATOM 263 OE1 GLN A 14 16.649 28.067 19.980 1.00 0.00 O ATOM 264 NE2 GLN A 14 18.810 28.411 19.842 1.00 0.00 N ATOM 0 H GLN A 14 19.424 28.363 24.429 1.00 0.00 H new ATOM 0 HA GLN A 14 19.551 29.919 22.077 1.00 0.00 H new ATOM 0 HB2 GLN A 14 17.347 28.808 23.883 1.00 0.00 H new ATOM 0 HB3 GLN A 14 16.951 29.731 22.447 1.00 0.00 H new ATOM 0 HG2 GLN A 14 18.846 27.374 22.231 1.00 0.00 H new ATOM 0 HG3 GLN A 14 17.120 27.086 22.326 1.00 0.00 H new ATOM 0 HE21 GLN A 14 19.723 28.451 20.296 1.00 0.00 H new ATOM 0 HE22 GLN A 14 18.728 28.605 18.844 1.00 0.00 H new ATOM 273 N GLU A 15 18.885 31.735 24.669 1.00 0.00 N ATOM 274 CA GLU A 15 18.831 33.160 25.047 1.00 0.00 C ATOM 275 C GLU A 15 20.197 33.851 24.931 1.00 0.00 C ATOM 276 O GLU A 15 20.256 35.036 24.600 1.00 0.00 O ATOM 277 CB GLU A 15 18.242 33.332 26.458 1.00 0.00 C ATOM 278 CG GLU A 15 16.757 32.952 26.566 1.00 0.00 C ATOM 279 CD GLU A 15 15.870 33.802 25.646 1.00 0.00 C ATOM 280 OE1 GLU A 15 15.478 34.936 26.018 1.00 0.00 O ATOM 281 OE2 GLU A 15 15.560 33.353 24.519 1.00 0.00 O ATOM 0 H GLU A 15 19.021 31.098 25.454 1.00 0.00 H new ATOM 0 HA GLU A 15 18.169 33.652 24.334 1.00 0.00 H new ATOM 0 HB2 GLU A 15 18.814 32.721 27.156 1.00 0.00 H new ATOM 0 HB3 GLU A 15 18.364 34.370 26.768 1.00 0.00 H new ATOM 0 HG2 GLU A 15 16.634 31.899 26.313 1.00 0.00 H new ATOM 0 HG3 GLU A 15 16.427 33.073 27.598 1.00 0.00 H new ATOM 288 N LEU A 16 21.303 33.131 25.147 1.00 0.00 N ATOM 289 CA LEU A 16 22.653 33.699 25.070 1.00 0.00 C ATOM 290 C LEU A 16 23.101 33.880 23.612 1.00 0.00 C ATOM 291 O LEU A 16 23.577 34.957 23.258 1.00 0.00 O ATOM 292 CB LEU A 16 23.657 32.857 25.883 1.00 0.00 C ATOM 293 CG LEU A 16 23.537 33.031 27.413 1.00 0.00 C ATOM 294 CD1 LEU A 16 22.414 32.205 28.041 1.00 0.00 C ATOM 295 CD2 LEU A 16 24.836 32.603 28.093 1.00 0.00 C ATOM 0 H LEU A 16 21.287 32.138 25.380 1.00 0.00 H new ATOM 0 HA LEU A 16 22.626 34.692 25.520 1.00 0.00 H new ATOM 0 HB2 LEU A 16 23.515 31.805 25.636 1.00 0.00 H new ATOM 0 HB3 LEU A 16 24.669 33.123 25.577 1.00 0.00 H new ATOM 0 HG LEU A 16 23.318 34.088 27.566 1.00 0.00 H new ATOM 0 HD11 LEU A 16 22.392 32.379 29.117 1.00 0.00 H new ATOM 0 HD12 LEU A 16 21.459 32.499 27.606 1.00 0.00 H new ATOM 0 HD13 LEU A 16 22.590 31.147 27.849 1.00 0.00 H new ATOM 0 HD21 LEU A 16 24.741 32.730 29.171 1.00 0.00 H new ATOM 0 HD22 LEU A 16 25.037 31.556 27.867 1.00 0.00 H new ATOM 0 HD23 LEU A 16 25.658 33.218 27.727 1.00 0.00 H new ATOM 307 N GLU A 17 22.884 32.885 22.745 1.00 0.00 N ATOM 308 CA GLU A 17 23.250 32.988 21.327 1.00 0.00 C ATOM 309 C GLU A 17 22.412 34.047 20.596 1.00 0.00 C ATOM 310 O GLU A 17 22.975 34.897 19.907 1.00 0.00 O ATOM 311 CB GLU A 17 23.235 31.612 20.631 1.00 0.00 C ATOM 312 CG GLU A 17 21.849 30.996 20.374 1.00 0.00 C ATOM 313 CD GLU A 17 21.972 29.664 19.627 1.00 0.00 C ATOM 314 OE1 GLU A 17 22.395 29.673 18.444 1.00 0.00 O ATOM 315 OE2 GLU A 17 21.677 28.586 20.200 1.00 0.00 O ATOM 0 H GLU A 17 22.455 31.996 23.001 1.00 0.00 H new ATOM 0 HA GLU A 17 24.281 33.338 21.278 1.00 0.00 H new ATOM 0 HB2 GLU A 17 23.751 31.706 19.675 1.00 0.00 H new ATOM 0 HB3 GLU A 17 23.813 30.915 21.238 1.00 0.00 H new ATOM 0 HG2 GLU A 17 21.335 30.839 21.322 1.00 0.00 H new ATOM 0 HG3 GLU A 17 21.241 31.689 19.792 1.00 0.00 H new ATOM 322 N ALA A 18 21.094 34.096 20.831 1.00 0.00 N ATOM 323 CA ALA A 18 20.211 35.112 20.252 1.00 0.00 C ATOM 324 C ALA A 18 20.595 36.534 20.691 1.00 0.00 C ATOM 325 O ALA A 18 20.519 37.476 19.895 1.00 0.00 O ATOM 326 CB ALA A 18 18.773 34.790 20.653 1.00 0.00 C ATOM 0 H ALA A 18 20.610 33.428 21.431 1.00 0.00 H new ATOM 0 HA ALA A 18 20.314 35.088 19.167 1.00 0.00 H new ATOM 0 HB1 ALA A 18 18.101 35.537 20.230 1.00 0.00 H new ATOM 0 HB2 ALA A 18 18.502 33.804 20.276 1.00 0.00 H new ATOM 0 HB3 ALA A 18 18.688 34.799 21.740 1.00 0.00 H new ATOM 332 N THR A 19 21.075 36.679 21.932 1.00 0.00 N ATOM 333 CA THR A 19 21.644 37.934 22.440 1.00 0.00 C ATOM 334 C THR A 19 22.951 38.272 21.719 1.00 0.00 C ATOM 335 O THR A 19 23.084 39.391 21.234 1.00 0.00 O ATOM 336 CB THR A 19 21.823 37.902 23.963 1.00 0.00 C ATOM 337 OG1 THR A 19 20.567 37.652 24.551 1.00 0.00 O ATOM 338 CG2 THR A 19 22.318 39.235 24.527 1.00 0.00 C ATOM 0 H THR A 19 21.080 35.923 22.617 1.00 0.00 H new ATOM 0 HA THR A 19 20.933 38.732 22.226 1.00 0.00 H new ATOM 0 HB THR A 19 22.561 37.131 24.186 1.00 0.00 H new ATOM 0 HG1 THR A 19 20.565 36.756 24.949 1.00 0.00 H new ATOM 0 HG21 THR A 19 22.427 39.155 25.609 1.00 0.00 H new ATOM 0 HG22 THR A 19 23.282 39.482 24.083 1.00 0.00 H new ATOM 0 HG23 THR A 19 21.598 40.019 24.292 1.00 0.00 H new ATOM 346 N PHE A 20 23.860 37.312 21.519 1.00 0.00 N ATOM 347 CA PHE A 20 25.110 37.512 20.763 1.00 0.00 C ATOM 348 C PHE A 20 24.883 37.880 19.278 1.00 0.00 C ATOM 349 O PHE A 20 25.768 38.453 18.637 1.00 0.00 O ATOM 350 CB PHE A 20 25.989 36.255 20.919 1.00 0.00 C ATOM 351 CG PHE A 20 27.478 36.474 20.691 1.00 0.00 C ATOM 352 CD1 PHE A 20 28.017 36.453 19.390 1.00 0.00 C ATOM 353 CD2 PHE A 20 28.336 36.673 21.790 1.00 0.00 C ATOM 354 CE1 PHE A 20 29.398 36.634 19.189 1.00 0.00 C ATOM 355 CE2 PHE A 20 29.717 36.859 21.593 1.00 0.00 C ATOM 356 CZ PHE A 20 30.249 36.834 20.290 1.00 0.00 C ATOM 0 H PHE A 20 23.752 36.364 21.879 1.00 0.00 H new ATOM 0 HA PHE A 20 25.625 38.376 21.183 1.00 0.00 H new ATOM 0 HB2 PHE A 20 25.846 35.854 21.922 1.00 0.00 H new ATOM 0 HB3 PHE A 20 25.638 35.496 20.219 1.00 0.00 H new ATOM 0 HD1 PHE A 20 27.367 36.297 18.542 1.00 0.00 H new ATOM 0 HD2 PHE A 20 27.931 36.683 22.791 1.00 0.00 H new ATOM 0 HE1 PHE A 20 29.804 36.619 18.188 1.00 0.00 H new ATOM 0 HE2 PHE A 20 30.367 37.021 22.440 1.00 0.00 H new ATOM 0 HZ PHE A 20 31.310 36.968 20.136 1.00 0.00 H new ATOM 366 N GLN A 21 23.689 37.630 18.717 1.00 0.00 N ATOM 367 CA GLN A 21 23.330 38.123 17.379 1.00 0.00 C ATOM 368 C GLN A 21 22.972 39.630 17.384 1.00 0.00 C ATOM 369 O GLN A 21 23.116 40.297 16.359 1.00 0.00 O ATOM 370 CB GLN A 21 22.185 37.304 16.741 1.00 0.00 C ATOM 371 CG GLN A 21 22.267 35.762 16.744 1.00 0.00 C ATOM 372 CD GLN A 21 23.642 35.154 16.465 1.00 0.00 C ATOM 373 OE1 GLN A 21 24.036 34.896 15.333 1.00 0.00 O ATOM 374 NE2 GLN A 21 24.401 34.858 17.492 1.00 0.00 N ATOM 0 H GLN A 21 22.954 37.088 19.172 1.00 0.00 H new ATOM 0 HA GLN A 21 24.222 37.991 16.766 1.00 0.00 H new ATOM 0 HB2 GLN A 21 21.261 37.584 17.246 1.00 0.00 H new ATOM 0 HB3 GLN A 21 22.091 37.625 15.704 1.00 0.00 H new ATOM 0 HG2 GLN A 21 21.926 35.404 17.715 1.00 0.00 H new ATOM 0 HG3 GLN A 21 21.568 35.381 16.000 1.00 0.00 H new ATOM 0 HE21 GLN A 21 24.083 35.068 18.438 1.00 0.00 H new ATOM 0 HE22 GLN A 21 25.309 34.418 17.345 1.00 0.00 H new ATOM 383 N ARG A 22 22.500 40.195 18.508 1.00 0.00 N ATOM 384 CA ARG A 22 21.971 41.580 18.608 1.00 0.00 C ATOM 385 C ARG A 22 22.784 42.535 19.500 1.00 0.00 C ATOM 386 O ARG A 22 22.648 43.750 19.365 1.00 0.00 O ATOM 387 CB ARG A 22 20.479 41.539 18.996 1.00 0.00 C ATOM 388 CG ARG A 22 20.233 41.085 20.445 1.00 0.00 C ATOM 389 CD ARG A 22 18.750 40.909 20.789 1.00 0.00 C ATOM 390 NE ARG A 22 18.056 42.180 21.084 1.00 0.00 N ATOM 391 CZ ARG A 22 16.861 42.272 21.649 1.00 0.00 C ATOM 392 NH1 ARG A 22 16.138 41.230 21.936 1.00 0.00 N ATOM 393 NH2 ARG A 22 16.331 43.415 21.965 1.00 0.00 N1+ ATOM 0 H ARG A 22 22.472 39.696 19.397 1.00 0.00 H new ATOM 0 HA ARG A 22 22.079 42.019 17.616 1.00 0.00 H new ATOM 0 HB2 ARG A 22 20.048 42.531 18.856 1.00 0.00 H new ATOM 0 HB3 ARG A 22 19.954 40.865 18.319 1.00 0.00 H new ATOM 0 HG2 ARG A 22 20.751 40.141 20.614 1.00 0.00 H new ATOM 0 HG3 ARG A 22 20.671 41.815 21.125 1.00 0.00 H new ATOM 0 HD2 ARG A 22 18.249 40.416 19.956 1.00 0.00 H new ATOM 0 HD3 ARG A 22 18.662 40.248 21.651 1.00 0.00 H new ATOM 0 HE ARG A 22 18.531 43.048 20.835 1.00 0.00 H new ATOM 0 HH11 ARG A 22 16.486 40.294 21.726 1.00 0.00 H new ATOM 0 HH12 ARG A 22 15.223 41.348 22.371 1.00 0.00 H new ATOM 0 HH21 ARG A 22 16.837 44.281 21.779 1.00 0.00 H new ATOM 0 HH22 ARG A 22 15.408 43.447 22.399 1.00 0.00 H new ATOM 407 N ASN A 23 23.609 42.011 20.406 1.00 0.00 N ATOM 408 CA ASN A 23 24.467 42.775 21.312 1.00 0.00 C ATOM 409 C ASN A 23 25.667 41.917 21.770 1.00 0.00 C ATOM 410 O ASN A 23 25.494 40.896 22.439 1.00 0.00 O ATOM 411 CB ASN A 23 23.605 43.245 22.502 1.00 0.00 C ATOM 412 CG ASN A 23 24.314 44.215 23.430 1.00 0.00 C ATOM 413 OD1 ASN A 23 25.520 44.421 23.375 1.00 0.00 O ATOM 414 ND2 ASN A 23 23.582 44.850 24.311 1.00 0.00 N ATOM 0 H ASN A 23 23.702 41.003 20.534 1.00 0.00 H new ATOM 0 HA ASN A 23 24.882 43.647 20.806 1.00 0.00 H new ATOM 0 HB2 ASN A 23 22.701 43.719 22.119 1.00 0.00 H new ATOM 0 HB3 ASN A 23 23.289 42.374 23.076 1.00 0.00 H new ATOM 0 HD21 ASN A 23 24.016 45.515 24.950 1.00 0.00 H new ATOM 0 HD22 ASN A 23 22.577 44.679 24.358 1.00 0.00 H new ATOM 421 N ARG A 24 26.897 42.341 21.446 1.00 0.00 N ATOM 422 CA ARG A 24 28.143 41.655 21.850 1.00 0.00 C ATOM 423 C ARG A 24 28.456 41.797 23.346 1.00 0.00 C ATOM 424 O ARG A 24 29.199 40.973 23.879 1.00 0.00 O ATOM 425 CB ARG A 24 29.323 42.199 21.017 1.00 0.00 C ATOM 426 CG ARG A 24 29.305 41.806 19.530 1.00 0.00 C ATOM 427 CD ARG A 24 29.729 40.353 19.251 1.00 0.00 C ATOM 428 NE ARG A 24 31.165 40.111 19.513 1.00 0.00 N ATOM 429 CZ ARG A 24 32.193 40.329 18.711 1.00 0.00 C ATOM 430 NH1 ARG A 24 32.079 40.884 17.541 1.00 0.00 N ATOM 431 NH2 ARG A 24 33.381 39.972 19.096 1.00 0.00 N1+ ATOM 0 H ARG A 24 27.062 43.180 20.889 1.00 0.00 H new ATOM 0 HA ARG A 24 27.996 40.592 21.661 1.00 0.00 H new ATOM 0 HB2 ARG A 24 29.329 43.287 21.090 1.00 0.00 H new ATOM 0 HB3 ARG A 24 30.254 41.845 21.460 1.00 0.00 H new ATOM 0 HG2 ARG A 24 28.300 41.960 19.138 1.00 0.00 H new ATOM 0 HG3 ARG A 24 29.967 42.476 18.982 1.00 0.00 H new ATOM 0 HD2 ARG A 24 29.134 39.681 19.870 1.00 0.00 H new ATOM 0 HD3 ARG A 24 29.508 40.109 18.212 1.00 0.00 H new ATOM 0 HE ARG A 24 31.391 39.727 20.430 1.00 0.00 H new ATOM 0 HH11 ARG A 24 31.162 41.175 17.202 1.00 0.00 H new ATOM 0 HH12 ARG A 24 32.906 41.029 16.962 1.00 0.00 H new ATOM 0 HH21 ARG A 24 33.511 39.530 20.006 1.00 0.00 H new ATOM 0 HH22 ARG A 24 34.184 40.134 18.488 1.00 0.00 H new ATOM 445 N TYR A 25 27.906 42.817 24.013 1.00 0.00 N ATOM 446 CA TYR A 25 28.264 43.234 25.375 1.00 0.00 C ATOM 447 C TYR A 25 27.007 43.587 26.202 1.00 0.00 C ATOM 448 O TYR A 25 26.703 44.765 26.408 1.00 0.00 O ATOM 449 CB TYR A 25 29.276 44.390 25.292 1.00 0.00 C ATOM 450 CG TYR A 25 30.513 44.034 24.488 1.00 0.00 C ATOM 451 CD1 TYR A 25 31.407 43.067 24.984 1.00 0.00 C ATOM 452 CD2 TYR A 25 30.722 44.591 23.210 1.00 0.00 C ATOM 453 CE1 TYR A 25 32.502 42.661 24.204 1.00 0.00 C ATOM 454 CE2 TYR A 25 31.832 44.198 22.436 1.00 0.00 C ATOM 455 CZ TYR A 25 32.733 43.237 22.938 1.00 0.00 C ATOM 456 OH TYR A 25 33.823 42.869 22.216 1.00 0.00 O ATOM 0 H TYR A 25 27.172 43.397 23.605 1.00 0.00 H new ATOM 0 HA TYR A 25 28.738 42.408 25.905 1.00 0.00 H new ATOM 0 HB2 TYR A 25 28.793 45.257 24.842 1.00 0.00 H new ATOM 0 HB3 TYR A 25 29.574 44.678 26.300 1.00 0.00 H new ATOM 0 HD1 TYR A 25 31.251 42.638 25.963 1.00 0.00 H new ATOM 0 HD2 TYR A 25 30.028 45.322 22.822 1.00 0.00 H new ATOM 0 HE1 TYR A 25 33.173 41.901 24.577 1.00 0.00 H new ATOM 0 HE2 TYR A 25 31.992 44.632 21.460 1.00 0.00 H new ATOM 0 HH TYR A 25 33.834 43.359 21.367 1.00 0.00 H new ATOM 466 N PRO A 26 26.234 42.579 26.654 1.00 0.00 N ATOM 467 CA PRO A 26 25.010 42.784 27.433 1.00 0.00 C ATOM 468 C PRO A 26 25.274 43.412 28.816 1.00 0.00 C ATOM 469 O PRO A 26 26.326 43.199 29.430 1.00 0.00 O ATOM 470 CB PRO A 26 24.363 41.396 27.520 1.00 0.00 C ATOM 471 CG PRO A 26 25.535 40.429 27.388 1.00 0.00 C ATOM 472 CD PRO A 26 26.457 41.157 26.419 1.00 0.00 C ATOM 0 HA PRO A 26 24.348 43.506 26.955 1.00 0.00 H new ATOM 0 HB2 PRO A 26 23.838 41.260 28.466 1.00 0.00 H new ATOM 0 HB3 PRO A 26 23.632 41.247 26.725 1.00 0.00 H new ATOM 0 HG2 PRO A 26 26.019 40.245 28.347 1.00 0.00 H new ATOM 0 HG3 PRO A 26 25.220 39.461 26.999 1.00 0.00 H new ATOM 0 HD2 PRO A 26 27.499 40.890 26.595 1.00 0.00 H new ATOM 0 HD3 PRO A 26 26.229 40.890 25.387 1.00 0.00 H new ATOM 480 N ASP A 27 24.309 44.183 29.323 1.00 0.00 N ATOM 481 CA ASP A 27 24.392 44.885 30.615 1.00 0.00 C ATOM 482 C ASP A 27 24.118 43.951 31.806 1.00 0.00 C ATOM 483 O ASP A 27 23.586 42.856 31.631 1.00 0.00 O ATOM 484 CB ASP A 27 23.389 46.047 30.623 1.00 0.00 C ATOM 485 CG ASP A 27 23.901 47.236 31.435 1.00 0.00 C ATOM 486 OD1 ASP A 27 24.046 47.134 32.676 1.00 0.00 O ATOM 487 OD2 ASP A 27 24.212 48.275 30.810 1.00 0.00 O ATOM 0 H ASP A 27 23.426 44.343 28.839 1.00 0.00 H new ATOM 0 HA ASP A 27 25.409 45.260 30.727 1.00 0.00 H new ATOM 0 HB2 ASP A 27 23.193 46.364 29.599 1.00 0.00 H new ATOM 0 HB3 ASP A 27 22.441 45.705 31.038 1.00 0.00 H new ATOM 492 N MET A 28 24.392 44.381 33.040 1.00 0.00 N ATOM 493 CA MET A 28 24.049 43.591 34.229 1.00 0.00 C ATOM 494 C MET A 28 22.537 43.358 34.384 1.00 0.00 C ATOM 495 O MET A 28 22.148 42.342 34.960 1.00 0.00 O ATOM 496 CB MET A 28 24.675 44.203 35.489 1.00 0.00 C ATOM 497 CG MET A 28 24.052 45.527 35.937 1.00 0.00 C ATOM 498 SD MET A 28 24.585 46.068 37.579 1.00 0.00 S ATOM 499 CE MET A 28 26.174 46.825 37.157 1.00 0.00 C ATOM 0 H MET A 28 24.849 45.270 33.244 1.00 0.00 H new ATOM 0 HA MET A 28 24.480 42.600 34.087 1.00 0.00 H new ATOM 0 HB2 MET A 28 24.592 43.484 36.304 1.00 0.00 H new ATOM 0 HB3 MET A 28 25.739 44.360 35.310 1.00 0.00 H new ATOM 0 HG2 MET A 28 24.304 46.300 35.211 1.00 0.00 H new ATOM 0 HG3 MET A 28 22.967 45.427 35.933 1.00 0.00 H new ATOM 0 HE1 MET A 28 26.643 47.214 38.061 1.00 0.00 H new ATOM 0 HE2 MET A 28 26.824 46.077 36.704 1.00 0.00 H new ATOM 0 HE3 MET A 28 26.013 47.641 36.452 1.00 0.00 H new ATOM 509 N SER A 29 21.706 44.244 33.818 1.00 0.00 N ATOM 510 CA SER A 29 20.248 44.094 33.695 1.00 0.00 C ATOM 511 C SER A 29 19.853 43.059 32.633 1.00 0.00 C ATOM 512 O SER A 29 19.024 42.186 32.886 1.00 0.00 O ATOM 513 CB SER A 29 19.625 45.459 33.377 1.00 0.00 C ATOM 514 OG SER A 29 20.194 46.017 32.206 1.00 0.00 O ATOM 0 H SER A 29 22.043 45.119 33.417 1.00 0.00 H new ATOM 0 HA SER A 29 19.866 43.724 34.646 1.00 0.00 H new ATOM 0 HB2 SER A 29 18.548 45.350 33.246 1.00 0.00 H new ATOM 0 HB3 SER A 29 19.776 46.136 34.217 1.00 0.00 H new ATOM 0 HG SER A 29 19.780 46.886 32.023 1.00 0.00 H new ATOM 520 N THR A 30 20.508 43.077 31.471 1.00 0.00 N ATOM 521 CA THR A 30 20.330 42.077 30.406 1.00 0.00 C ATOM 522 C THR A 30 20.746 40.680 30.875 1.00 0.00 C ATOM 523 O THR A 30 20.031 39.702 30.661 1.00 0.00 O ATOM 524 CB THR A 30 21.179 42.454 29.179 1.00 0.00 C ATOM 525 OG1 THR A 30 21.130 43.832 28.894 1.00 0.00 O ATOM 526 CG2 THR A 30 20.763 41.708 27.913 1.00 0.00 C ATOM 0 H THR A 30 21.190 43.798 31.235 1.00 0.00 H new ATOM 0 HA THR A 30 19.272 42.063 30.145 1.00 0.00 H new ATOM 0 HB THR A 30 22.193 42.165 29.455 1.00 0.00 H new ATOM 0 HG1 THR A 30 21.549 44.001 28.025 1.00 0.00 H new ATOM 0 HG21 THR A 30 21.399 42.017 27.083 1.00 0.00 H new ATOM 0 HG22 THR A 30 20.869 40.635 28.072 1.00 0.00 H new ATOM 0 HG23 THR A 30 19.724 41.939 27.679 1.00 0.00 H new ATOM 534 N ARG A 31 21.901 40.576 31.542 1.00 0.00 N ATOM 535 CA ARG A 31 22.496 39.305 31.981 1.00 0.00 C ATOM 536 C ARG A 31 21.731 38.674 33.150 1.00 0.00 C ATOM 537 O ARG A 31 21.576 37.455 33.159 1.00 0.00 O ATOM 538 CB ARG A 31 23.985 39.518 32.306 1.00 0.00 C ATOM 539 CG ARG A 31 24.833 39.918 31.077 1.00 0.00 C ATOM 540 CD ARG A 31 26.334 40.100 31.361 1.00 0.00 C ATOM 541 NE ARG A 31 26.602 40.706 32.676 1.00 0.00 N ATOM 542 CZ ARG A 31 27.001 41.922 32.988 1.00 0.00 C ATOM 543 NH1 ARG A 31 27.199 42.893 32.144 1.00 0.00 N ATOM 544 NH2 ARG A 31 27.202 42.151 34.246 1.00 0.00 N1+ ATOM 0 H ARG A 31 22.461 41.389 31.798 1.00 0.00 H new ATOM 0 HA ARG A 31 22.419 38.589 31.163 1.00 0.00 H new ATOM 0 HB2 ARG A 31 24.075 40.293 33.068 1.00 0.00 H new ATOM 0 HB3 ARG A 31 24.390 38.601 32.734 1.00 0.00 H new ATOM 0 HG2 ARG A 31 24.713 39.156 30.307 1.00 0.00 H new ATOM 0 HG3 ARG A 31 24.439 40.849 30.669 1.00 0.00 H new ATOM 0 HD2 ARG A 31 26.829 39.130 31.307 1.00 0.00 H new ATOM 0 HD3 ARG A 31 26.772 40.725 30.583 1.00 0.00 H new ATOM 0 HE ARG A 31 26.455 40.085 33.472 1.00 0.00 H new ATOM 0 HH11 ARG A 31 27.044 42.742 31.147 1.00 0.00 H new ATOM 0 HH12 ARG A 31 27.509 43.805 32.479 1.00 0.00 H new ATOM 0 HH21 ARG A 31 27.050 41.410 34.930 1.00 0.00 H new ATOM 0 HH22 ARG A 31 27.512 43.073 34.553 1.00 0.00 H new ATOM 558 N GLU A 32 21.192 39.461 34.087 1.00 0.00 N ATOM 559 CA GLU A 32 20.314 38.913 35.136 1.00 0.00 C ATOM 560 C GLU A 32 18.953 38.459 34.582 1.00 0.00 C ATOM 561 O GLU A 32 18.446 37.433 35.029 1.00 0.00 O ATOM 562 CB GLU A 32 20.168 39.866 36.339 1.00 0.00 C ATOM 563 CG GLU A 32 19.292 41.093 36.050 1.00 0.00 C ATOM 564 CD GLU A 32 19.161 42.067 37.225 1.00 0.00 C ATOM 565 OE1 GLU A 32 20.105 42.237 38.031 1.00 0.00 O ATOM 566 OE2 GLU A 32 18.104 42.736 37.331 1.00 0.00 O ATOM 0 H GLU A 32 21.343 40.468 34.144 1.00 0.00 H new ATOM 0 HA GLU A 32 20.809 38.017 35.512 1.00 0.00 H new ATOM 0 HB2 GLU A 32 19.742 39.316 37.178 1.00 0.00 H new ATOM 0 HB3 GLU A 32 21.158 40.202 36.648 1.00 0.00 H new ATOM 0 HG2 GLU A 32 19.707 41.627 35.195 1.00 0.00 H new ATOM 0 HG3 GLU A 32 18.297 40.754 35.762 1.00 0.00 H new ATOM 573 N GLU A 33 18.385 39.149 33.584 1.00 0.00 N ATOM 574 CA GLU A 33 17.107 38.764 32.960 1.00 0.00 C ATOM 575 C GLU A 33 17.245 37.493 32.112 1.00 0.00 C ATOM 576 O GLU A 33 16.439 36.575 32.258 1.00 0.00 O ATOM 577 CB GLU A 33 16.535 39.935 32.142 1.00 0.00 C ATOM 578 CG GLU A 33 15.930 41.006 33.066 1.00 0.00 C ATOM 579 CD GLU A 33 15.399 42.248 32.337 1.00 0.00 C ATOM 580 OE1 GLU A 33 15.563 42.398 31.099 1.00 0.00 O ATOM 581 OE2 GLU A 33 14.782 43.110 33.018 1.00 0.00 O ATOM 0 H GLU A 33 18.798 39.992 33.184 1.00 0.00 H new ATOM 0 HA GLU A 33 16.401 38.530 33.757 1.00 0.00 H new ATOM 0 HB2 GLU A 33 17.323 40.378 31.533 1.00 0.00 H new ATOM 0 HB3 GLU A 33 15.771 39.567 31.457 1.00 0.00 H new ATOM 0 HG2 GLU A 33 15.116 40.559 33.636 1.00 0.00 H new ATOM 0 HG3 GLU A 33 16.688 41.318 33.785 1.00 0.00 H new ATOM 588 N ILE A 34 18.322 37.356 31.328 1.00 0.00 N ATOM 589 CA ILE A 34 18.676 36.090 30.654 1.00 0.00 C ATOM 590 C ILE A 34 18.802 34.947 31.674 1.00 0.00 C ATOM 591 O ILE A 34 18.334 33.833 31.422 1.00 0.00 O ATOM 592 CB ILE A 34 19.972 36.287 29.829 1.00 0.00 C ATOM 593 CG1 ILE A 34 19.672 37.164 28.591 1.00 0.00 C ATOM 594 CG2 ILE A 34 20.595 34.948 29.386 1.00 0.00 C ATOM 595 CD1 ILE A 34 20.930 37.693 27.894 1.00 0.00 C ATOM 0 H ILE A 34 18.975 38.116 31.140 1.00 0.00 H new ATOM 0 HA ILE A 34 17.880 35.808 29.965 1.00 0.00 H new ATOM 0 HB ILE A 34 20.698 36.784 30.472 1.00 0.00 H new ATOM 0 HG12 ILE A 34 19.089 36.583 27.877 1.00 0.00 H new ATOM 0 HG13 ILE A 34 19.053 38.008 28.896 1.00 0.00 H new ATOM 0 HG21 ILE A 34 21.501 35.141 28.811 1.00 0.00 H new ATOM 0 HG22 ILE A 34 20.843 34.353 30.265 1.00 0.00 H new ATOM 0 HG23 ILE A 34 19.882 34.402 28.768 1.00 0.00 H new ATOM 0 HD11 ILE A 34 20.642 38.299 27.035 1.00 0.00 H new ATOM 0 HD12 ILE A 34 21.504 38.302 28.592 1.00 0.00 H new ATOM 0 HD13 ILE A 34 21.540 36.854 27.558 1.00 0.00 H new ATOM 607 N ALA A 35 19.373 35.218 32.849 1.00 0.00 N ATOM 608 CA ALA A 35 19.465 34.262 33.949 1.00 0.00 C ATOM 609 C ALA A 35 18.123 33.998 34.677 1.00 0.00 C ATOM 610 O ALA A 35 17.998 32.966 35.341 1.00 0.00 O ATOM 611 CB ALA A 35 20.593 34.721 34.876 1.00 0.00 C ATOM 0 H ALA A 35 19.791 36.123 33.064 1.00 0.00 H new ATOM 0 HA ALA A 35 19.706 33.279 33.545 1.00 0.00 H new ATOM 0 HB1 ALA A 35 20.685 34.024 35.709 1.00 0.00 H new ATOM 0 HB2 ALA A 35 21.531 34.750 34.321 1.00 0.00 H new ATOM 0 HB3 ALA A 35 20.367 35.716 35.259 1.00 0.00 H new ATOM 617 N VAL A 36 17.085 34.830 34.507 1.00 0.00 N ATOM 618 CA VAL A 36 15.695 34.483 34.877 1.00 0.00 C ATOM 619 C VAL A 36 15.098 33.550 33.825 1.00 0.00 C ATOM 620 O VAL A 36 14.599 32.482 34.178 1.00 0.00 O ATOM 621 CB VAL A 36 14.793 35.721 35.093 1.00 0.00 C ATOM 622 CG1 VAL A 36 13.348 35.322 35.430 1.00 0.00 C ATOM 623 CG2 VAL A 36 15.283 36.578 36.264 1.00 0.00 C ATOM 0 H VAL A 36 17.180 35.764 34.109 1.00 0.00 H new ATOM 0 HA VAL A 36 15.737 33.972 35.839 1.00 0.00 H new ATOM 0 HB VAL A 36 14.835 36.276 34.156 1.00 0.00 H new ATOM 0 HG11 VAL A 36 12.747 36.220 35.574 1.00 0.00 H new ATOM 0 HG12 VAL A 36 12.932 34.735 34.611 1.00 0.00 H new ATOM 0 HG13 VAL A 36 13.338 34.728 36.344 1.00 0.00 H new ATOM 0 HG21 VAL A 36 14.625 37.438 36.386 1.00 0.00 H new ATOM 0 HG22 VAL A 36 15.276 35.984 37.178 1.00 0.00 H new ATOM 0 HG23 VAL A 36 16.297 36.923 36.063 1.00 0.00 H new ATOM 633 N TRP A 37 15.198 33.892 32.535 1.00 0.00 N ATOM 634 CA TRP A 37 14.597 33.116 31.436 1.00 0.00 C ATOM 635 C TRP A 37 15.167 31.691 31.309 1.00 0.00 C ATOM 636 O TRP A 37 14.466 30.783 30.859 1.00 0.00 O ATOM 637 CB TRP A 37 14.778 33.872 30.111 1.00 0.00 C ATOM 638 CG TRP A 37 14.441 35.338 30.072 1.00 0.00 C ATOM 639 CD1 TRP A 37 15.077 36.234 29.283 1.00 0.00 C ATOM 640 CD2 TRP A 37 13.462 36.121 30.842 1.00 0.00 C ATOM 641 NE1 TRP A 37 14.583 37.499 29.511 1.00 0.00 N ATOM 642 CE2 TRP A 37 13.597 37.495 30.471 1.00 0.00 C ATOM 643 CE3 TRP A 37 12.476 35.829 31.815 1.00 0.00 C ATOM 644 CZ2 TRP A 37 12.823 38.517 31.042 1.00 0.00 C ATOM 645 CZ3 TRP A 37 11.702 36.849 32.407 1.00 0.00 C ATOM 646 CH2 TRP A 37 11.878 38.191 32.029 1.00 0.00 C ATOM 0 H TRP A 37 15.701 34.721 32.219 1.00 0.00 H new ATOM 0 HA TRP A 37 13.538 33.006 31.671 1.00 0.00 H new ATOM 0 HB2 TRP A 37 15.819 33.762 29.806 1.00 0.00 H new ATOM 0 HB3 TRP A 37 14.170 33.371 29.357 1.00 0.00 H new ATOM 0 HD1 TRP A 37 15.858 35.993 28.577 1.00 0.00 H new ATOM 0 HE1 TRP A 37 14.908 38.336 29.028 1.00 0.00 H new ATOM 0 HE3 TRP A 37 12.313 34.803 32.110 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 12.952 39.542 30.726 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 10.968 36.596 33.157 1.00 0.00 H new ATOM 0 HH2 TRP A 37 11.290 38.968 32.495 1.00 0.00 H new ATOM 657 N THR A 38 16.418 31.485 31.732 1.00 0.00 N ATOM 658 CA THR A 38 17.143 30.196 31.704 1.00 0.00 C ATOM 659 C THR A 38 17.305 29.531 33.078 1.00 0.00 C ATOM 660 O THR A 38 17.738 28.385 33.162 1.00 0.00 O ATOM 661 CB THR A 38 18.544 30.389 31.102 1.00 0.00 C ATOM 662 OG1 THR A 38 19.253 31.346 31.858 1.00 0.00 O ATOM 663 CG2 THR A 38 18.514 30.874 29.653 1.00 0.00 C ATOM 0 H THR A 38 16.983 32.240 32.121 1.00 0.00 H new ATOM 0 HA THR A 38 16.527 29.537 31.093 1.00 0.00 H new ATOM 0 HB THR A 38 19.025 29.411 31.125 1.00 0.00 H new ATOM 0 HG1 THR A 38 19.080 32.241 31.498 1.00 0.00 H new ATOM 0 HG21 THR A 38 19.534 30.990 29.287 1.00 0.00 H new ATOM 0 HG22 THR A 38 17.988 30.145 29.036 1.00 0.00 H new ATOM 0 HG23 THR A 38 17.998 31.833 29.601 1.00 0.00 H new ATOM 671 N ASN A 39 17.002 30.233 34.174 1.00 0.00 N ATOM 672 CA ASN A 39 17.380 29.843 35.540 1.00 0.00 C ATOM 673 C ASN A 39 18.899 29.591 35.751 1.00 0.00 C ATOM 674 O ASN A 39 19.293 28.816 36.625 1.00 0.00 O ATOM 675 CB ASN A 39 16.477 28.699 36.039 1.00 0.00 C ATOM 676 CG ASN A 39 16.528 28.530 37.548 1.00 0.00 C ATOM 677 OD1 ASN A 39 16.786 29.462 38.298 1.00 0.00 O ATOM 678 ND2 ASN A 39 16.259 27.353 38.051 1.00 0.00 N ATOM 0 H ASN A 39 16.476 31.106 34.138 1.00 0.00 H new ATOM 0 HA ASN A 39 17.198 30.709 36.176 1.00 0.00 H new ATOM 0 HB2 ASN A 39 15.449 28.893 35.733 1.00 0.00 H new ATOM 0 HB3 ASN A 39 16.781 27.767 35.562 1.00 0.00 H new ATOM 0 HD21 ASN A 39 16.265 27.217 39.062 1.00 0.00 H new ATOM 0 HD22 ASN A 39 16.043 26.571 37.432 1.00 0.00 H new ATOM 685 N LEU A 40 19.766 30.247 34.971 1.00 0.00 N ATOM 686 CA LEU A 40 21.196 30.398 35.287 1.00 0.00 C ATOM 687 C LEU A 40 21.386 31.451 36.407 1.00 0.00 C ATOM 688 O LEU A 40 20.438 31.808 37.114 1.00 0.00 O ATOM 689 CB LEU A 40 21.955 30.762 33.988 1.00 0.00 C ATOM 690 CG LEU A 40 21.985 29.667 32.903 1.00 0.00 C ATOM 691 CD1 LEU A 40 22.661 30.236 31.653 1.00 0.00 C ATOM 692 CD2 LEU A 40 22.774 28.432 33.345 1.00 0.00 C ATOM 0 H LEU A 40 19.495 30.693 34.095 1.00 0.00 H new ATOM 0 HA LEU A 40 21.608 29.463 35.668 1.00 0.00 H new ATOM 0 HB2 LEU A 40 21.501 31.657 33.563 1.00 0.00 H new ATOM 0 HB3 LEU A 40 22.982 31.018 34.248 1.00 0.00 H new ATOM 0 HG LEU A 40 20.956 29.365 32.710 1.00 0.00 H new ATOM 0 HD11 LEU A 40 22.690 29.473 30.876 1.00 0.00 H new ATOM 0 HD12 LEU A 40 22.097 31.097 31.295 1.00 0.00 H new ATOM 0 HD13 LEU A 40 23.678 30.544 31.897 1.00 0.00 H new ATOM 0 HD21 LEU A 40 22.766 27.690 32.547 1.00 0.00 H new ATOM 0 HD22 LEU A 40 23.803 28.717 33.565 1.00 0.00 H new ATOM 0 HD23 LEU A 40 22.316 28.008 34.239 1.00 0.00 H new ATOM 704 N THR A 41 22.598 31.987 36.565 1.00 0.00 N ATOM 705 CA THR A 41 22.874 33.205 37.352 1.00 0.00 C ATOM 706 C THR A 41 23.664 34.208 36.509 1.00 0.00 C ATOM 707 O THR A 41 24.365 33.817 35.573 1.00 0.00 O ATOM 708 CB THR A 41 23.555 32.922 38.704 1.00 0.00 C ATOM 709 OG1 THR A 41 24.959 32.826 38.604 1.00 0.00 O ATOM 710 CG2 THR A 41 23.052 31.655 39.394 1.00 0.00 C ATOM 0 H THR A 41 23.435 31.584 36.144 1.00 0.00 H new ATOM 0 HA THR A 41 21.911 33.646 37.609 1.00 0.00 H new ATOM 0 HB THR A 41 23.283 33.788 39.307 1.00 0.00 H new ATOM 0 HG1 THR A 41 25.339 32.648 39.490 1.00 0.00 H new ATOM 0 HG21 THR A 41 23.578 31.522 40.340 1.00 0.00 H new ATOM 0 HG22 THR A 41 21.982 31.744 39.583 1.00 0.00 H new ATOM 0 HG23 THR A 41 23.237 30.793 38.752 1.00 0.00 H new ATOM 718 N GLU A 42 23.544 35.501 36.812 1.00 0.00 N ATOM 719 CA GLU A 42 24.136 36.597 36.031 1.00 0.00 C ATOM 720 C GLU A 42 25.643 36.416 35.779 1.00 0.00 C ATOM 721 O GLU A 42 26.103 36.596 34.649 1.00 0.00 O ATOM 722 CB GLU A 42 23.832 37.910 36.775 1.00 0.00 C ATOM 723 CG GLU A 42 24.360 39.178 36.095 1.00 0.00 C ATOM 724 CD GLU A 42 25.860 39.415 36.301 1.00 0.00 C ATOM 725 OE1 GLU A 42 26.349 39.365 37.456 1.00 0.00 O ATOM 726 OE2 GLU A 42 26.561 39.737 35.318 1.00 0.00 O ATOM 0 H GLU A 42 23.021 35.827 37.625 1.00 0.00 H new ATOM 0 HA GLU A 42 23.692 36.609 35.036 1.00 0.00 H new ATOM 0 HB2 GLU A 42 22.752 38.002 36.892 1.00 0.00 H new ATOM 0 HB3 GLU A 42 24.257 37.849 37.777 1.00 0.00 H new ATOM 0 HG2 GLU A 42 24.155 39.117 35.026 1.00 0.00 H new ATOM 0 HG3 GLU A 42 23.810 40.039 36.476 1.00 0.00 H new ATOM 733 N ALA A 43 26.408 35.999 36.794 1.00 0.00 N ATOM 734 CA ALA A 43 27.849 35.785 36.665 1.00 0.00 C ATOM 735 C ALA A 43 28.185 34.728 35.599 1.00 0.00 C ATOM 736 O ALA A 43 29.104 34.924 34.803 1.00 0.00 O ATOM 737 CB ALA A 43 28.419 35.405 38.037 1.00 0.00 C ATOM 0 H ALA A 43 26.044 35.801 37.726 1.00 0.00 H new ATOM 0 HA ALA A 43 28.313 36.711 36.325 1.00 0.00 H new ATOM 0 HB1 ALA A 43 29.494 35.243 37.952 1.00 0.00 H new ATOM 0 HB2 ALA A 43 28.228 36.211 38.746 1.00 0.00 H new ATOM 0 HB3 ALA A 43 27.941 34.491 38.389 1.00 0.00 H new ATOM 743 N ARG A 44 27.396 33.648 35.499 1.00 0.00 N ATOM 744 CA ARG A 44 27.605 32.600 34.485 1.00 0.00 C ATOM 745 C ARG A 44 27.378 33.095 33.055 1.00 0.00 C ATOM 746 O ARG A 44 27.965 32.536 32.131 1.00 0.00 O ATOM 747 CB ARG A 44 26.733 31.370 34.786 1.00 0.00 C ATOM 748 CG ARG A 44 27.048 30.678 36.121 1.00 0.00 C ATOM 749 CD ARG A 44 28.518 30.234 36.247 1.00 0.00 C ATOM 750 NE ARG A 44 28.638 29.082 37.156 1.00 0.00 N ATOM 751 CZ ARG A 44 28.460 27.820 36.818 1.00 0.00 C ATOM 752 NH1 ARG A 44 28.383 27.419 35.586 1.00 0.00 N ATOM 753 NH2 ARG A 44 28.348 26.902 37.726 1.00 0.00 N1+ ATOM 0 H ARG A 44 26.600 33.476 36.113 1.00 0.00 H new ATOM 0 HA ARG A 44 28.655 32.312 34.547 1.00 0.00 H new ATOM 0 HB2 ARG A 44 25.686 31.674 34.787 1.00 0.00 H new ATOM 0 HB3 ARG A 44 26.855 30.648 33.979 1.00 0.00 H new ATOM 0 HG2 ARG A 44 26.810 31.358 36.939 1.00 0.00 H new ATOM 0 HG3 ARG A 44 26.402 29.807 36.232 1.00 0.00 H new ATOM 0 HD2 ARG A 44 28.909 29.970 35.264 1.00 0.00 H new ATOM 0 HD3 ARG A 44 29.122 31.061 36.619 1.00 0.00 H new ATOM 0 HE ARG A 44 28.879 29.276 38.128 1.00 0.00 H new ATOM 0 HH11 ARG A 44 28.461 28.093 34.824 1.00 0.00 H new ATOM 0 HH12 ARG A 44 28.245 26.430 35.379 1.00 0.00 H new ATOM 0 HH21 ARG A 44 28.397 27.153 38.713 1.00 0.00 H new ATOM 0 HH22 ARG A 44 28.211 25.929 37.453 1.00 0.00 H new ATOM 767 N VAL A 45 26.612 34.171 32.853 1.00 0.00 N ATOM 768 CA VAL A 45 26.483 34.810 31.532 1.00 0.00 C ATOM 769 C VAL A 45 27.791 35.511 31.141 1.00 0.00 C ATOM 770 O VAL A 45 28.244 35.338 30.011 1.00 0.00 O ATOM 771 CB VAL A 45 25.273 35.764 31.459 1.00 0.00 C ATOM 772 CG1 VAL A 45 25.042 36.249 30.021 1.00 0.00 C ATOM 773 CG2 VAL A 45 23.978 35.080 31.924 1.00 0.00 C ATOM 0 H VAL A 45 26.068 34.622 33.588 1.00 0.00 H new ATOM 0 HA VAL A 45 26.292 34.023 30.802 1.00 0.00 H new ATOM 0 HB VAL A 45 25.507 36.601 32.116 1.00 0.00 H new ATOM 0 HG11 VAL A 45 24.183 36.920 29.997 1.00 0.00 H new ATOM 0 HG12 VAL A 45 25.927 36.779 29.669 1.00 0.00 H new ATOM 0 HG13 VAL A 45 24.851 35.392 29.374 1.00 0.00 H new ATOM 0 HG21 VAL A 45 23.150 35.785 31.857 1.00 0.00 H new ATOM 0 HG22 VAL A 45 23.773 34.219 31.288 1.00 0.00 H new ATOM 0 HG23 VAL A 45 24.091 34.750 32.957 1.00 0.00 H new ATOM 783 N ARG A 46 28.466 36.202 32.076 1.00 0.00 N ATOM 784 CA ARG A 46 29.814 36.764 31.837 1.00 0.00 C ATOM 785 C ARG A 46 30.847 35.672 31.549 1.00 0.00 C ATOM 786 O ARG A 46 31.593 35.805 30.579 1.00 0.00 O ATOM 787 CB ARG A 46 30.274 37.647 33.010 1.00 0.00 C ATOM 788 CG ARG A 46 29.552 39.000 33.006 1.00 0.00 C ATOM 789 CD ARG A 46 29.982 39.888 34.177 1.00 0.00 C ATOM 790 NE ARG A 46 29.329 39.483 35.435 1.00 0.00 N ATOM 791 CZ ARG A 46 29.886 39.197 36.594 1.00 0.00 C ATOM 792 NH1 ARG A 46 31.169 39.071 36.760 1.00 0.00 N1+ ATOM 793 NH2 ARG A 46 29.132 39.020 37.636 1.00 0.00 N ATOM 0 H ARG A 46 28.101 36.387 33.010 1.00 0.00 H new ATOM 0 HA ARG A 46 29.738 37.391 30.949 1.00 0.00 H new ATOM 0 HB2 ARG A 46 30.082 37.133 33.952 1.00 0.00 H new ATOM 0 HB3 ARG A 46 31.350 37.807 32.947 1.00 0.00 H new ATOM 0 HG2 ARG A 46 29.755 39.516 32.067 1.00 0.00 H new ATOM 0 HG3 ARG A 46 28.475 38.836 33.053 1.00 0.00 H new ATOM 0 HD2 ARG A 46 31.064 39.836 34.295 1.00 0.00 H new ATOM 0 HD3 ARG A 46 29.735 40.926 33.956 1.00 0.00 H new ATOM 0 HE ARG A 46 28.312 39.415 35.404 1.00 0.00 H new ATOM 0 HH11 ARG A 46 31.800 39.195 35.968 1.00 0.00 H new ATOM 0 HH12 ARG A 46 31.545 38.848 37.682 1.00 0.00 H new ATOM 0 HH21 ARG A 46 28.119 39.103 37.552 1.00 0.00 H new ATOM 0 HH22 ARG A 46 29.553 38.798 38.538 1.00 0.00 H new ATOM 807 N VAL A 47 30.820 34.571 32.311 1.00 0.00 N ATOM 808 CA VAL A 47 31.659 33.375 32.075 1.00 0.00 C ATOM 809 C VAL A 47 31.432 32.802 30.673 1.00 0.00 C ATOM 810 O VAL A 47 32.399 32.489 29.976 1.00 0.00 O ATOM 811 CB VAL A 47 31.405 32.285 33.140 1.00 0.00 C ATOM 812 CG1 VAL A 47 32.214 31.008 32.884 1.00 0.00 C ATOM 813 CG2 VAL A 47 31.777 32.780 34.541 1.00 0.00 C ATOM 0 H VAL A 47 30.208 34.478 33.122 1.00 0.00 H new ATOM 0 HA VAL A 47 32.698 33.696 32.154 1.00 0.00 H new ATOM 0 HB VAL A 47 30.340 32.062 33.074 1.00 0.00 H new ATOM 0 HG11 VAL A 47 31.996 30.277 33.663 1.00 0.00 H new ATOM 0 HG12 VAL A 47 31.944 30.595 31.912 1.00 0.00 H new ATOM 0 HG13 VAL A 47 33.278 31.243 32.895 1.00 0.00 H new ATOM 0 HG21 VAL A 47 31.587 31.991 35.268 1.00 0.00 H new ATOM 0 HG22 VAL A 47 32.833 33.048 34.564 1.00 0.00 H new ATOM 0 HG23 VAL A 47 31.176 33.655 34.789 1.00 0.00 H new ATOM 823 N TRP A 48 30.179 32.698 30.216 1.00 0.00 N ATOM 824 CA TRP A 48 29.870 32.212 28.871 1.00 0.00 C ATOM 825 C TRP A 48 30.378 33.169 27.786 1.00 0.00 C ATOM 826 O TRP A 48 31.035 32.720 26.849 1.00 0.00 O ATOM 827 CB TRP A 48 28.363 31.962 28.736 1.00 0.00 C ATOM 828 CG TRP A 48 27.951 31.217 27.499 1.00 0.00 C ATOM 829 CD1 TRP A 48 27.745 29.883 27.438 1.00 0.00 C ATOM 830 CD2 TRP A 48 27.669 31.719 26.151 1.00 0.00 C ATOM 831 NE1 TRP A 48 27.384 29.519 26.157 1.00 0.00 N ATOM 832 CE2 TRP A 48 27.268 30.617 25.335 1.00 0.00 C ATOM 833 CE3 TRP A 48 27.717 32.984 25.526 1.00 0.00 C ATOM 834 CZ2 TRP A 48 26.915 30.767 23.988 1.00 0.00 C ATOM 835 CZ3 TRP A 48 27.362 33.148 24.173 1.00 0.00 C ATOM 836 CH2 TRP A 48 26.954 32.043 23.404 1.00 0.00 C ATOM 0 H TRP A 48 29.357 32.947 30.766 1.00 0.00 H new ATOM 0 HA TRP A 48 30.394 31.268 28.724 1.00 0.00 H new ATOM 0 HB2 TRP A 48 28.023 31.404 29.608 1.00 0.00 H new ATOM 0 HB3 TRP A 48 27.848 32.922 28.752 1.00 0.00 H new ATOM 0 HD1 TRP A 48 27.848 29.202 28.270 1.00 0.00 H new ATOM 0 HE1 TRP A 48 27.223 28.557 25.857 1.00 0.00 H new ATOM 0 HE3 TRP A 48 28.033 33.844 26.098 1.00 0.00 H new ATOM 0 HZ2 TRP A 48 26.616 29.909 23.404 1.00 0.00 H new ATOM 0 HZ3 TRP A 48 27.403 34.129 23.723 1.00 0.00 H new ATOM 0 HH2 TRP A 48 26.672 32.176 22.370 1.00 0.00 H new ATOM 847 N PHE A 49 30.130 34.479 27.914 1.00 0.00 N ATOM 848 CA PHE A 49 30.538 35.480 26.919 1.00 0.00 C ATOM 849 C PHE A 49 32.068 35.612 26.802 1.00 0.00 C ATOM 850 O PHE A 49 32.588 35.637 25.683 1.00 0.00 O ATOM 851 CB PHE A 49 29.866 36.835 27.223 1.00 0.00 C ATOM 852 CG PHE A 49 28.522 37.051 26.534 1.00 0.00 C ATOM 853 CD1 PHE A 49 27.386 36.308 26.914 1.00 0.00 C ATOM 854 CD2 PHE A 49 28.406 37.996 25.496 1.00 0.00 C ATOM 855 CE1 PHE A 49 26.162 36.483 26.241 1.00 0.00 C ATOM 856 CE2 PHE A 49 27.178 38.185 24.834 1.00 0.00 C ATOM 857 CZ PHE A 49 26.059 37.416 25.197 1.00 0.00 C ATOM 0 H PHE A 49 29.638 34.876 28.714 1.00 0.00 H new ATOM 0 HA PHE A 49 30.196 35.135 25.943 1.00 0.00 H new ATOM 0 HB2 PHE A 49 29.724 36.921 28.300 1.00 0.00 H new ATOM 0 HB3 PHE A 49 30.544 37.635 26.926 1.00 0.00 H new ATOM 0 HD1 PHE A 49 27.455 35.600 27.727 1.00 0.00 H new ATOM 0 HD2 PHE A 49 29.266 38.581 25.205 1.00 0.00 H new ATOM 0 HE1 PHE A 49 25.301 35.898 26.528 1.00 0.00 H new ATOM 0 HE2 PHE A 49 27.096 38.921 24.048 1.00 0.00 H new ATOM 0 HZ PHE A 49 25.122 37.542 24.674 1.00 0.00 H new ATOM 867 N LYS A 50 32.813 35.627 27.920 1.00 0.00 N ATOM 868 CA LYS A 50 34.287 35.722 27.873 1.00 0.00 C ATOM 869 C LYS A 50 34.932 34.455 27.303 1.00 0.00 C ATOM 870 O LYS A 50 35.814 34.558 26.451 1.00 0.00 O ATOM 871 CB LYS A 50 34.869 36.160 29.229 1.00 0.00 C ATOM 872 CG LYS A 50 34.863 35.076 30.319 1.00 0.00 C ATOM 873 CD LYS A 50 35.051 35.669 31.719 1.00 0.00 C ATOM 874 CE LYS A 50 36.432 36.307 31.922 1.00 0.00 C ATOM 875 NZ LYS A 50 36.438 37.157 33.131 1.00 0.00 N1+ ATOM 0 H LYS A 50 32.425 35.575 28.862 1.00 0.00 H new ATOM 0 HA LYS A 50 34.545 36.513 27.169 1.00 0.00 H new ATOM 0 HB2 LYS A 50 35.895 36.495 29.076 1.00 0.00 H new ATOM 0 HB3 LYS A 50 34.304 37.020 29.589 1.00 0.00 H new ATOM 0 HG2 LYS A 50 33.921 34.528 30.281 1.00 0.00 H new ATOM 0 HG3 LYS A 50 35.658 34.357 30.120 1.00 0.00 H new ATOM 0 HD2 LYS A 50 34.281 36.420 31.895 1.00 0.00 H new ATOM 0 HD3 LYS A 50 34.907 34.884 32.462 1.00 0.00 H new ATOM 0 HE2 LYS A 50 37.189 35.528 32.014 1.00 0.00 H new ATOM 0 HE3 LYS A 50 36.695 36.905 31.049 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 37.380 37.581 33.253 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 35.730 37.912 33.028 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 36.209 36.578 33.964 1.00 0.00 H new ATOM 889 N ASN A 51 34.428 33.267 27.654 1.00 0.00 N ATOM 890 CA ASN A 51 34.902 32.029 27.034 1.00 0.00 C ATOM 891 C ASN A 51 34.531 31.950 25.538 1.00 0.00 C ATOM 892 O ASN A 51 35.349 31.468 24.755 1.00 0.00 O ATOM 893 CB ASN A 51 34.448 30.805 27.847 1.00 0.00 C ATOM 894 CG ASN A 51 35.267 30.632 29.120 1.00 0.00 C ATOM 895 OD1 ASN A 51 36.462 30.384 29.092 1.00 0.00 O ATOM 896 ND2 ASN A 51 34.664 30.777 30.273 1.00 0.00 N ATOM 0 H ASN A 51 33.700 33.139 28.357 1.00 0.00 H new ATOM 0 HA ASN A 51 35.992 32.030 27.056 1.00 0.00 H new ATOM 0 HB2 ASN A 51 33.394 30.911 28.105 1.00 0.00 H new ATOM 0 HB3 ASN A 51 34.537 29.908 27.233 1.00 0.00 H new ATOM 0 HD21 ASN A 51 35.192 30.683 31.140 1.00 0.00 H new ATOM 0 HD22 ASN A 51 33.666 30.984 30.304 1.00 0.00 H new ATOM 903 N ARG A 52 33.387 32.512 25.101 1.00 0.00 N ATOM 904 CA ARG A 52 32.982 32.562 23.677 1.00 0.00 C ATOM 905 C ARG A 52 33.993 33.285 22.784 1.00 0.00 C ATOM 906 O ARG A 52 34.266 32.807 21.681 1.00 0.00 O ATOM 907 CB ARG A 52 31.584 33.201 23.523 1.00 0.00 C ATOM 908 CG ARG A 52 30.800 32.723 22.282 1.00 0.00 C ATOM 909 CD ARG A 52 30.533 31.206 22.238 1.00 0.00 C ATOM 910 NE ARG A 52 30.066 30.700 23.546 1.00 0.00 N ATOM 911 CZ ARG A 52 30.740 29.906 24.359 1.00 0.00 C ATOM 912 NH1 ARG A 52 31.708 29.130 23.982 1.00 0.00 N1+ ATOM 913 NH2 ARG A 52 30.469 29.860 25.625 1.00 0.00 N ATOM 0 H ARG A 52 32.711 32.948 25.729 1.00 0.00 H new ATOM 0 HA ARG A 52 32.947 31.526 23.339 1.00 0.00 H new ATOM 0 HB2 ARG A 52 30.997 32.982 24.415 1.00 0.00 H new ATOM 0 HB3 ARG A 52 31.696 34.284 23.473 1.00 0.00 H new ATOM 0 HG2 ARG A 52 29.845 33.248 22.247 1.00 0.00 H new ATOM 0 HG3 ARG A 52 31.353 33.008 21.387 1.00 0.00 H new ATOM 0 HD2 ARG A 52 29.786 30.989 21.475 1.00 0.00 H new ATOM 0 HD3 ARG A 52 31.445 30.683 21.949 1.00 0.00 H new ATOM 0 HE ARG A 52 29.137 30.991 23.849 1.00 0.00 H new ATOM 0 HH11 ARG A 52 31.992 29.108 23.003 1.00 0.00 H new ATOM 0 HH12 ARG A 52 32.186 28.542 24.665 1.00 0.00 H new ATOM 0 HH21 ARG A 52 29.725 30.443 26.009 1.00 0.00 H new ATOM 0 HH22 ARG A 52 31.000 29.241 26.238 1.00 0.00 H new