USER MOD reduce.3.24.130724 H: found=0, std=0, add=415, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 417 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 23 LYS NZ :NH3+ -172:sc= 0.00343 (180deg=0.00177) USER MOD Set 1.2: A 39 TYR OH : rot -138:sc= 0.412 USER MOD Set 2.1: A 16 SER OG : rot -168:sc= -0.603 USER MOD Set 2.2: A 50 LYS NZ :NH3+ 173:sc= 0.0157 (180deg=0) USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 MET CE :methyl -159:sc= -0.682 (180deg=-1.58) USER MOD Single : A 26 SER OG : rot -84:sc= 0.0308 USER MOD Single : A 27 CYS SG : rot -97:sc= -4.17! USER MOD Single : A 28 GLN : amide:sc= 0.502 K(o=0.5,f=0) USER MOD Single : A 29 THR OG1 : rot 180:sc= 0.0252 USER MOD Single : A 40 TYR OH : rot -60:sc= 1.24 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 SER OG : rot -44:sc= 0.287 USER MOD ----------------------------------------------------------------- ATOM 206 N TYR A 13 13.062 -1.113 -1.293 1.00 0.00 N ATOM 207 CA TYR A 13 12.375 -1.368 -2.559 1.00 0.00 C ATOM 208 C TYR A 13 11.650 -2.729 -2.564 1.00 0.00 C ATOM 209 O TYR A 13 10.636 -2.886 -3.251 1.00 0.00 O ATOM 210 CB TYR A 13 13.428 -1.208 -3.666 1.00 0.00 C ATOM 211 CG TYR A 13 14.148 0.146 -3.694 1.00 0.00 C ATOM 212 CD1 TYR A 13 13.582 1.272 -3.065 1.00 0.00 C ATOM 213 CD2 TYR A 13 15.405 0.281 -4.314 1.00 0.00 C ATOM 214 CE1 TYR A 13 14.277 2.482 -2.966 1.00 0.00 C ATOM 215 CE2 TYR A 13 16.087 1.512 -4.267 1.00 0.00 C ATOM 216 CZ TYR A 13 15.542 2.603 -3.569 1.00 0.00 C ATOM 217 OH TYR A 13 16.227 3.781 -3.509 1.00 0.00 O ATOM 0 HA TYR A 13 11.567 -0.656 -2.726 1.00 0.00 H new ATOM 0 HB2 TYR A 13 14.173 -1.995 -3.552 1.00 0.00 H new ATOM 0 HB3 TYR A 13 12.944 -1.364 -4.630 1.00 0.00 H new ATOM 0 HD1 TYR A 13 12.588 1.200 -2.649 1.00 0.00 H new ATOM 0 HD2 TYR A 13 15.847 -0.561 -4.826 1.00 0.00 H new ATOM 0 HE1 TYR A 13 13.846 3.316 -2.431 1.00 0.00 H new ATOM 0 HE2 TYR A 13 17.036 1.618 -4.771 1.00 0.00 H new ATOM 0 HH TYR A 13 17.083 3.686 -3.977 1.00 0.00 H new ATOM 227 N GLU A 14 12.088 -3.670 -1.713 1.00 0.00 N ATOM 228 CA GLU A 14 11.315 -4.862 -1.276 1.00 0.00 C ATOM 229 C GLU A 14 10.233 -4.522 -0.234 1.00 0.00 C ATOM 230 O GLU A 14 9.135 -5.080 -0.259 1.00 0.00 O ATOM 231 CB GLU A 14 12.281 -5.910 -0.694 1.00 0.00 C ATOM 232 CG GLU A 14 11.684 -7.301 -0.490 1.00 0.00 C ATOM 233 CD GLU A 14 11.451 -8.000 -1.823 1.00 0.00 C ATOM 234 OE1 GLU A 14 12.429 -8.554 -2.378 1.00 0.00 O ATOM 235 OE2 GLU A 14 10.290 -8.032 -2.288 1.00 0.00 O ATOM 0 H GLU A 14 13.016 -3.629 -1.293 1.00 0.00 H new ATOM 0 HA GLU A 14 10.802 -5.256 -2.153 1.00 0.00 H new ATOM 0 HB2 GLU A 14 13.142 -5.995 -1.357 1.00 0.00 H new ATOM 0 HB3 GLU A 14 12.651 -5.547 0.265 1.00 0.00 H new ATOM 0 HG2 GLU A 14 12.354 -7.901 0.126 1.00 0.00 H new ATOM 0 HG3 GLU A 14 10.741 -7.219 0.051 1.00 0.00 H new ATOM 242 N ALA A 15 10.519 -3.554 0.643 1.00 0.00 N ATOM 243 CA ALA A 15 9.664 -3.081 1.749 1.00 0.00 C ATOM 244 C ALA A 15 8.286 -2.587 1.307 1.00 0.00 C ATOM 245 O ALA A 15 7.270 -2.740 1.986 1.00 0.00 O ATOM 246 CB ALA A 15 10.325 -1.838 2.359 1.00 0.00 C ATOM 0 H ALA A 15 11.403 -3.047 0.602 1.00 0.00 H new ATOM 0 HA ALA A 15 9.550 -3.932 2.420 1.00 0.00 H new ATOM 0 HB1 ALA A 15 9.713 -1.467 3.181 1.00 0.00 H new ATOM 0 HB2 ALA A 15 11.315 -2.099 2.733 1.00 0.00 H new ATOM 0 HB3 ALA A 15 10.418 -1.064 1.597 1.00 0.00 H new ATOM 252 N SER A 16 8.293 -1.952 0.139 1.00 0.00 N ATOM 253 CA SER A 16 7.272 -1.076 -0.411 1.00 0.00 C ATOM 254 C SER A 16 5.901 -1.765 -0.561 1.00 0.00 C ATOM 255 O SER A 16 4.843 -1.156 -0.402 1.00 0.00 O ATOM 256 CB SER A 16 7.841 -0.701 -1.792 1.00 0.00 C ATOM 257 OG SER A 16 8.673 0.442 -1.742 1.00 0.00 O ATOM 0 H SER A 16 9.083 -2.048 -0.499 1.00 0.00 H new ATOM 0 HA SER A 16 7.079 -0.223 0.240 1.00 0.00 H new ATOM 0 HB2 SER A 16 8.409 -1.543 -2.188 1.00 0.00 H new ATOM 0 HB3 SER A 16 7.018 -0.518 -2.483 1.00 0.00 H new ATOM 0 HG SER A 16 8.856 0.754 -2.653 1.00 0.00 H new ATOM 263 N ILE A 17 5.951 -3.063 -0.858 1.00 0.00 N ATOM 264 CA ILE A 17 4.925 -3.864 -1.552 1.00 0.00 C ATOM 265 C ILE A 17 4.745 -5.245 -0.855 1.00 0.00 C ATOM 266 O ILE A 17 3.981 -6.101 -1.300 1.00 0.00 O ATOM 267 CB ILE A 17 5.400 -3.884 -3.051 1.00 0.00 C ATOM 268 CG1 ILE A 17 4.726 -2.850 -4.002 1.00 0.00 C ATOM 269 CG2 ILE A 17 5.374 -5.249 -3.759 1.00 0.00 C ATOM 270 CD1 ILE A 17 4.181 -1.541 -3.413 1.00 0.00 C ATOM 0 H ILE A 17 6.762 -3.628 -0.606 1.00 0.00 H new ATOM 0 HA ILE A 17 3.915 -3.456 -1.512 1.00 0.00 H new ATOM 0 HB ILE A 17 6.438 -3.592 -2.889 1.00 0.00 H new ATOM 0 HG12 ILE A 17 5.453 -2.587 -4.771 1.00 0.00 H new ATOM 0 HG13 ILE A 17 3.900 -3.354 -4.504 1.00 0.00 H new ATOM 0 HG21 ILE A 17 5.723 -5.133 -4.785 1.00 0.00 H new ATOM 0 HG22 ILE A 17 6.025 -5.945 -3.231 1.00 0.00 H new ATOM 0 HG23 ILE A 17 4.355 -5.637 -3.764 1.00 0.00 H new ATOM 0 HD11 ILE A 17 3.746 -0.937 -4.209 1.00 0.00 H new ATOM 0 HD12 ILE A 17 3.416 -1.767 -2.670 1.00 0.00 H new ATOM 0 HD13 ILE A 17 4.993 -0.988 -2.941 1.00 0.00 H new ATOM 282 N ASP A 18 5.417 -5.446 0.294 1.00 0.00 N ATOM 283 CA ASP A 18 5.588 -6.733 1.008 1.00 0.00 C ATOM 284 C ASP A 18 4.293 -7.272 1.645 1.00 0.00 C ATOM 285 O ASP A 18 4.063 -8.485 1.657 1.00 0.00 O ATOM 286 CB ASP A 18 6.661 -6.555 2.095 1.00 0.00 C ATOM 287 CG ASP A 18 6.975 -7.857 2.871 1.00 0.00 C ATOM 288 OD1 ASP A 18 7.654 -8.755 2.311 1.00 0.00 O ATOM 289 OD2 ASP A 18 6.554 -7.975 4.050 1.00 0.00 O ATOM 0 H ASP A 18 5.881 -4.677 0.778 1.00 0.00 H new ATOM 0 HA ASP A 18 5.889 -7.472 0.265 1.00 0.00 H new ATOM 0 HB2 ASP A 18 7.577 -6.187 1.633 1.00 0.00 H new ATOM 0 HB3 ASP A 18 6.330 -5.792 2.800 1.00 0.00 H new ATOM 294 N GLU A 19 3.440 -6.363 2.117 1.00 0.00 N ATOM 295 CA GLU A 19 2.088 -6.660 2.651 1.00 0.00 C ATOM 296 C GLU A 19 1.012 -5.664 2.224 1.00 0.00 C ATOM 297 O GLU A 19 -0.134 -6.054 2.065 1.00 0.00 O ATOM 298 CB GLU A 19 2.100 -6.819 4.187 1.00 0.00 C ATOM 299 CG GLU A 19 2.516 -5.557 4.953 1.00 0.00 C ATOM 300 CD GLU A 19 2.362 -5.799 6.447 1.00 0.00 C ATOM 301 OE1 GLU A 19 3.303 -6.347 7.060 1.00 0.00 O ATOM 302 OE2 GLU A 19 1.308 -5.426 7.013 1.00 0.00 O ATOM 0 H GLU A 19 3.666 -5.369 2.144 1.00 0.00 H new ATOM 0 HA GLU A 19 1.815 -7.614 2.199 1.00 0.00 H new ATOM 0 HB2 GLU A 19 1.105 -7.117 4.517 1.00 0.00 H new ATOM 0 HB3 GLU A 19 2.780 -7.629 4.451 1.00 0.00 H new ATOM 0 HG2 GLU A 19 3.549 -5.301 4.720 1.00 0.00 H new ATOM 0 HG3 GLU A 19 1.901 -4.712 4.645 1.00 0.00 H new ATOM 309 N PHE A 20 1.369 -4.404 1.966 1.00 0.00 N ATOM 310 CA PHE A 20 0.472 -3.292 1.597 1.00 0.00 C ATOM 311 C PHE A 20 -0.349 -3.585 0.332 1.00 0.00 C ATOM 312 O PHE A 20 -1.564 -3.497 0.310 1.00 0.00 O ATOM 313 CB PHE A 20 1.392 -2.080 1.350 1.00 0.00 C ATOM 314 CG PHE A 20 0.824 -0.725 1.708 1.00 0.00 C ATOM 315 CD1 PHE A 20 -0.435 -0.318 1.229 1.00 0.00 C ATOM 316 CD2 PHE A 20 1.613 0.162 2.469 1.00 0.00 C ATOM 317 CE1 PHE A 20 -0.907 0.972 1.511 1.00 0.00 C ATOM 318 CE2 PHE A 20 1.132 1.447 2.755 1.00 0.00 C ATOM 319 CZ PHE A 20 -0.125 1.847 2.278 1.00 0.00 C ATOM 0 H PHE A 20 2.345 -4.110 2.010 1.00 0.00 H new ATOM 0 HA PHE A 20 -0.254 -3.121 2.392 1.00 0.00 H new ATOM 0 HB2 PHE A 20 2.311 -2.227 1.917 1.00 0.00 H new ATOM 0 HB3 PHE A 20 1.667 -2.068 0.295 1.00 0.00 H new ATOM 0 HD1 PHE A 20 -1.037 -0.998 0.645 1.00 0.00 H new ATOM 0 HD2 PHE A 20 2.583 -0.147 2.830 1.00 0.00 H new ATOM 0 HE1 PHE A 20 -1.870 1.290 1.139 1.00 0.00 H new ATOM 0 HE2 PHE A 20 1.729 2.129 3.342 1.00 0.00 H new ATOM 0 HZ PHE A 20 -0.493 2.837 2.503 1.00 0.00 H new ATOM 329 N MET A 21 0.294 -4.070 -0.712 1.00 0.00 N ATOM 330 CA MET A 21 -0.322 -4.523 -1.966 1.00 0.00 C ATOM 331 C MET A 21 -1.330 -5.632 -1.736 1.00 0.00 C ATOM 332 O MET A 21 -2.363 -5.683 -2.388 1.00 0.00 O ATOM 333 CB MET A 21 0.775 -5.094 -2.858 1.00 0.00 C ATOM 334 CG MET A 21 1.401 -4.027 -3.744 1.00 0.00 C ATOM 335 SD MET A 21 0.422 -3.420 -5.139 1.00 0.00 S ATOM 336 CE MET A 21 -0.538 -4.864 -5.703 1.00 0.00 C ATOM 0 H MET A 21 1.309 -4.168 -0.720 1.00 0.00 H new ATOM 0 HA MET A 21 -0.829 -3.670 -2.416 1.00 0.00 H new ATOM 0 HB2 MET A 21 1.547 -5.549 -2.237 1.00 0.00 H new ATOM 0 HB3 MET A 21 0.360 -5.886 -3.482 1.00 0.00 H new ATOM 0 HG2 MET A 21 1.655 -3.174 -3.115 1.00 0.00 H new ATOM 0 HG3 MET A 21 2.337 -4.423 -4.137 1.00 0.00 H new ATOM 0 HE1 MET A 21 -0.860 -4.707 -6.733 1.00 0.00 H new ATOM 0 HE2 MET A 21 0.084 -5.758 -5.649 1.00 0.00 H new ATOM 0 HE3 MET A 21 -1.413 -4.991 -5.065 1.00 0.00 H new ATOM 346 N GLY A 22 -1.073 -6.470 -0.743 1.00 0.00 N ATOM 347 CA GLY A 22 -2.035 -7.443 -0.246 1.00 0.00 C ATOM 348 C GLY A 22 -3.144 -6.779 0.556 1.00 0.00 C ATOM 349 O GLY A 22 -4.289 -7.185 0.447 1.00 0.00 O ATOM 0 H GLY A 22 -0.179 -6.494 -0.253 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -2.469 -7.987 -1.085 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -1.523 -8.175 0.378 1.00 0.00 H new ATOM 353 N LYS A 23 -2.831 -5.769 1.364 1.00 0.00 N ATOM 354 CA LYS A 23 -3.738 -5.134 2.278 1.00 0.00 C ATOM 355 C LYS A 23 -4.831 -4.443 1.454 1.00 0.00 C ATOM 356 O LYS A 23 -6.022 -4.582 1.733 1.00 0.00 O ATOM 357 CB LYS A 23 -2.926 -4.352 3.321 1.00 0.00 C ATOM 358 CG LYS A 23 -2.869 -2.852 3.152 1.00 0.00 C ATOM 359 CD LYS A 23 -2.017 -2.228 4.271 1.00 0.00 C ATOM 360 CE LYS A 23 -2.799 -2.197 5.586 1.00 0.00 C ATOM 361 NZ LYS A 23 -1.930 -2.002 6.769 1.00 0.00 N ATOM 0 H LYS A 23 -1.895 -5.364 1.390 1.00 0.00 H new ATOM 0 HA LYS A 23 -4.316 -5.802 2.917 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -3.340 -4.568 4.306 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -1.905 -4.734 3.314 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -2.445 -2.603 2.179 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -3.876 -2.437 3.176 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -1.099 -2.802 4.400 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -1.724 -1.216 3.992 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -3.535 -1.394 5.546 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -3.351 -3.130 5.697 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -2.491 -2.124 7.636 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -1.160 -2.701 6.753 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -1.527 -1.043 6.750 1.00 0.00 H new ATOM 375 N ILE A 24 -4.410 -3.769 0.372 1.00 0.00 N ATOM 376 CA ILE A 24 -5.294 -3.260 -0.665 1.00 0.00 C ATOM 377 C ILE A 24 -5.930 -4.301 -1.588 1.00 0.00 C ATOM 378 O ILE A 24 -7.123 -4.216 -1.871 1.00 0.00 O ATOM 379 CB ILE A 24 -4.606 -2.159 -1.472 1.00 0.00 C ATOM 380 CG1 ILE A 24 -3.126 -2.198 -1.835 1.00 0.00 C ATOM 381 CG2 ILE A 24 -4.804 -0.873 -0.675 1.00 0.00 C ATOM 382 CD1 ILE A 24 -2.865 -1.941 -3.291 1.00 0.00 C ATOM 0 H ILE A 24 -3.426 -3.564 0.199 1.00 0.00 H new ATOM 0 HA ILE A 24 -6.140 -2.851 -0.113 1.00 0.00 H new ATOM 0 HB ILE A 24 -5.076 -2.276 -2.448 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -2.594 -1.455 -1.241 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -2.719 -3.173 -1.566 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -4.333 -0.043 -1.201 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -5.870 -0.674 -0.564 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -4.351 -0.982 0.310 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -1.793 -1.983 -3.481 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -3.370 -2.699 -3.890 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -3.243 -0.955 -3.560 1.00 0.00 H new ATOM 394 N ALA A 25 -5.182 -5.313 -2.042 1.00 0.00 N ATOM 395 CA ALA A 25 -5.754 -6.367 -2.891 1.00 0.00 C ATOM 396 C ALA A 25 -6.815 -7.208 -2.144 1.00 0.00 C ATOM 397 O ALA A 25 -7.679 -7.827 -2.765 1.00 0.00 O ATOM 398 CB ALA A 25 -4.667 -7.267 -3.477 1.00 0.00 C ATOM 0 H ALA A 25 -4.189 -5.425 -1.839 1.00 0.00 H new ATOM 0 HA ALA A 25 -6.258 -5.862 -3.715 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -5.127 -8.035 -4.099 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -3.986 -6.668 -4.083 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -4.111 -7.741 -2.668 1.00 0.00 H new ATOM 404 N SER A 26 -6.739 -7.190 -0.809 1.00 0.00 N ATOM 405 CA SER A 26 -7.570 -7.937 0.131 1.00 0.00 C ATOM 406 C SER A 26 -8.524 -7.055 0.956 1.00 0.00 C ATOM 407 O SER A 26 -9.013 -7.467 2.010 1.00 0.00 O ATOM 408 CB SER A 26 -6.733 -8.890 0.993 1.00 0.00 C ATOM 409 OG SER A 26 -6.426 -8.355 2.275 1.00 0.00 O ATOM 0 H SER A 26 -6.048 -6.614 -0.328 1.00 0.00 H new ATOM 0 HA SER A 26 -8.231 -8.556 -0.476 1.00 0.00 H new ATOM 0 HB2 SER A 26 -7.273 -9.828 1.117 1.00 0.00 H new ATOM 0 HB3 SER A 26 -5.805 -9.123 0.471 1.00 0.00 H new ATOM 0 HG SER A 26 -5.636 -7.779 2.209 1.00 0.00 H new ATOM 415 N CYS A 27 -8.693 -5.790 0.579 1.00 0.00 N ATOM 416 CA CYS A 27 -9.350 -4.775 1.390 1.00 0.00 C ATOM 417 C CYS A 27 -10.854 -5.056 1.664 1.00 0.00 C ATOM 418 O CYS A 27 -11.477 -4.468 2.555 1.00 0.00 O ATOM 419 CB CYS A 27 -9.175 -3.438 0.669 1.00 0.00 C ATOM 420 SG CYS A 27 -9.983 -3.486 -0.920 1.00 0.00 S ATOM 0 H CYS A 27 -8.368 -5.436 -0.321 1.00 0.00 H new ATOM 0 HA CYS A 27 -8.885 -4.771 2.376 1.00 0.00 H new ATOM 0 HB2 CYS A 27 -9.593 -2.633 1.274 1.00 0.00 H new ATOM 0 HB3 CYS A 27 -8.114 -3.222 0.540 1.00 0.00 H new ATOM 0 HG CYS A 27 -9.111 -3.771 -1.842 1.00 0.00 H new ATOM 426 N GLN A 28 -11.437 -5.952 0.849 1.00 0.00 N ATOM 427 CA GLN A 28 -12.813 -6.522 0.841 1.00 0.00 C ATOM 428 C GLN A 28 -13.984 -5.542 0.680 1.00 0.00 C ATOM 429 O GLN A 28 -15.139 -5.951 0.538 1.00 0.00 O ATOM 430 CB GLN A 28 -13.049 -7.361 2.111 1.00 0.00 C ATOM 431 CG GLN A 28 -12.142 -8.584 2.230 1.00 0.00 C ATOM 432 CD GLN A 28 -11.862 -8.864 3.686 1.00 0.00 C ATOM 433 OE1 GLN A 28 -12.616 -9.547 4.371 1.00 0.00 O ATOM 434 NE2 GLN A 28 -10.795 -8.302 4.207 1.00 0.00 N ATOM 0 H GLN A 28 -10.894 -6.348 0.082 1.00 0.00 H new ATOM 0 HA GLN A 28 -12.823 -7.120 -0.070 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -12.901 -6.726 2.985 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -14.088 -7.690 2.128 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -12.618 -9.449 1.767 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -11.208 -8.410 1.696 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -10.179 -7.737 3.622 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -10.583 -8.430 5.196 1.00 0.00 H new ATOM 443 N THR A 29 -13.703 -4.247 0.718 1.00 0.00 N ATOM 444 CA THR A 29 -14.668 -3.153 0.793 1.00 0.00 C ATOM 445 C THR A 29 -14.015 -1.942 0.183 1.00 0.00 C ATOM 446 O THR A 29 -12.824 -1.706 0.411 1.00 0.00 O ATOM 447 CB THR A 29 -14.997 -2.792 2.251 1.00 0.00 C ATOM 448 OG1 THR A 29 -13.835 -2.726 3.059 1.00 0.00 O ATOM 449 CG2 THR A 29 -15.966 -3.775 2.909 1.00 0.00 C ATOM 0 H THR A 29 -12.741 -3.910 0.696 1.00 0.00 H new ATOM 0 HA THR A 29 -15.583 -3.455 0.282 1.00 0.00 H new ATOM 0 HB THR A 29 -15.469 -1.812 2.189 1.00 0.00 H new ATOM 0 HG1 THR A 29 -14.088 -2.493 3.977 1.00 0.00 H new ATOM 0 HG21 THR A 29 -16.158 -3.465 3.936 1.00 0.00 H new ATOM 0 HG22 THR A 29 -16.904 -3.789 2.353 1.00 0.00 H new ATOM 0 HG23 THR A 29 -15.529 -4.773 2.907 1.00 0.00 H new ATOM 457 N LEU A 30 -14.752 -1.151 -0.587 1.00 0.00 N ATOM 458 CA LEU A 30 -14.150 0.064 -1.091 1.00 0.00 C ATOM 459 C LEU A 30 -13.937 1.043 0.047 1.00 0.00 C ATOM 460 O LEU A 30 -12.980 1.782 0.110 1.00 0.00 O ATOM 461 CB LEU A 30 -15.029 0.768 -2.089 1.00 0.00 C ATOM 462 CG LEU A 30 -14.040 1.714 -2.793 1.00 0.00 C ATOM 463 CD1 LEU A 30 -13.686 1.300 -4.155 1.00 0.00 C ATOM 464 CD2 LEU A 30 -14.556 3.096 -2.790 1.00 0.00 C ATOM 0 H LEU A 30 -15.719 -1.320 -0.863 1.00 0.00 H new ATOM 0 HA LEU A 30 -13.215 -0.234 -1.565 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -15.490 0.070 -2.788 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -15.838 1.314 -1.604 1.00 0.00 H new ATOM 0 HG LEU A 30 -13.116 1.665 -2.216 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -12.986 2.017 -4.583 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -13.223 0.314 -4.127 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -14.586 1.261 -4.769 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -13.844 3.751 -3.292 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -15.511 3.129 -3.314 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -14.695 3.430 -1.762 1.00 0.00 H new ATOM 476 N GLU A 31 -14.880 1.020 0.951 1.00 0.00 N ATOM 477 CA GLU A 31 -14.962 1.859 2.092 1.00 0.00 C ATOM 478 C GLU A 31 -13.792 1.635 3.030 1.00 0.00 C ATOM 479 O GLU A 31 -13.266 2.583 3.608 1.00 0.00 O ATOM 480 CB GLU A 31 -16.298 1.472 2.718 1.00 0.00 C ATOM 481 CG GLU A 31 -16.803 2.590 3.574 1.00 0.00 C ATOM 482 CD GLU A 31 -18.046 2.209 4.359 1.00 0.00 C ATOM 483 OE1 GLU A 31 -17.928 1.402 5.311 1.00 0.00 O ATOM 484 OE2 GLU A 31 -19.136 2.733 4.040 1.00 0.00 O ATOM 0 H GLU A 31 -15.660 0.365 0.895 1.00 0.00 H new ATOM 0 HA GLU A 31 -14.912 2.921 1.852 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -17.023 1.245 1.937 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -16.181 0.569 3.317 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -16.019 2.894 4.267 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -17.025 3.452 2.945 1.00 0.00 H new ATOM 491 N GLY A 32 -13.336 0.385 3.111 1.00 0.00 N ATOM 492 CA GLY A 32 -12.033 0.042 3.652 1.00 0.00 C ATOM 493 C GLY A 32 -10.834 0.379 2.795 1.00 0.00 C ATOM 494 O GLY A 32 -9.891 0.944 3.312 1.00 0.00 O ATOM 0 H GLY A 32 -13.873 -0.424 2.797 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -11.919 0.547 4.611 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -12.018 -1.029 3.852 1.00 0.00 H new ATOM 498 N LEU A 33 -10.874 0.160 1.496 1.00 0.00 N ATOM 499 CA LEU A 33 -9.799 0.516 0.571 1.00 0.00 C ATOM 500 C LEU A 33 -9.463 2.001 0.572 1.00 0.00 C ATOM 501 O LEU A 33 -8.313 2.387 0.554 1.00 0.00 O ATOM 502 CB LEU A 33 -10.351 0.136 -0.803 1.00 0.00 C ATOM 503 CG LEU A 33 -9.475 0.497 -2.007 1.00 0.00 C ATOM 504 CD1 LEU A 33 -8.019 0.154 -1.863 1.00 0.00 C ATOM 505 CD2 LEU A 33 -9.960 -0.282 -3.192 1.00 0.00 C ATOM 0 H LEU A 33 -11.671 -0.281 1.036 1.00 0.00 H new ATOM 0 HA LEU A 33 -8.877 0.007 0.851 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -10.526 -0.940 -0.817 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -11.321 0.618 -0.928 1.00 0.00 H new ATOM 0 HG LEU A 33 -9.556 1.579 -2.107 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -7.485 0.448 -2.766 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -7.603 0.684 -1.006 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -7.911 -0.920 -1.712 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -9.349 -0.040 -4.062 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -9.885 -1.349 -2.982 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -10.999 -0.025 -3.396 1.00 0.00 H new ATOM 517 N GLU A 34 -10.500 2.801 0.651 1.00 0.00 N ATOM 518 CA GLU A 34 -10.558 4.239 0.896 1.00 0.00 C ATOM 519 C GLU A 34 -10.020 4.675 2.266 1.00 0.00 C ATOM 520 O GLU A 34 -9.430 5.751 2.398 1.00 0.00 O ATOM 521 CB GLU A 34 -12.018 4.635 0.823 1.00 0.00 C ATOM 522 CG GLU A 34 -12.510 4.826 -0.607 1.00 0.00 C ATOM 523 CD GLU A 34 -12.059 6.170 -1.156 1.00 0.00 C ATOM 524 OE1 GLU A 34 -10.889 6.293 -1.578 1.00 0.00 O ATOM 525 OE2 GLU A 34 -12.884 7.108 -1.202 1.00 0.00 O ATOM 0 H GLU A 34 -11.439 2.422 0.532 1.00 0.00 H new ATOM 0 HA GLU A 34 -9.926 4.723 0.151 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -12.622 3.869 1.310 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -12.167 5.560 1.380 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -12.129 4.023 -1.238 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -13.598 4.763 -0.634 1.00 0.00 H new ATOM 532 N GLU A 35 -10.202 3.838 3.295 1.00 0.00 N ATOM 533 CA GLU A 35 -9.546 3.980 4.624 1.00 0.00 C ATOM 534 C GLU A 35 -8.080 3.589 4.563 1.00 0.00 C ATOM 535 O GLU A 35 -7.257 4.292 5.131 1.00 0.00 O ATOM 536 CB GLU A 35 -10.184 3.123 5.731 1.00 0.00 C ATOM 537 CG GLU A 35 -11.602 3.539 6.088 1.00 0.00 C ATOM 538 CD GLU A 35 -11.623 4.497 7.274 1.00 0.00 C ATOM 539 OE1 GLU A 35 -11.659 4.015 8.428 1.00 0.00 O ATOM 540 OE2 GLU A 35 -11.604 5.729 7.055 1.00 0.00 O ATOM 0 H GLU A 35 -10.817 3.026 3.238 1.00 0.00 H new ATOM 0 HA GLU A 35 -9.674 5.034 4.871 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -10.190 2.081 5.412 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -9.563 3.179 6.625 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -12.070 4.015 5.226 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -12.193 2.654 6.324 1.00 0.00 H new ATOM 547 N LEU A 36 -7.745 2.544 3.804 1.00 0.00 N ATOM 548 CA LEU A 36 -6.379 2.179 3.426 1.00 0.00 C ATOM 549 C LEU A 36 -5.744 3.308 2.601 1.00 0.00 C ATOM 550 O LEU A 36 -4.570 3.612 2.767 1.00 0.00 O ATOM 551 CB LEU A 36 -6.256 0.850 2.646 1.00 0.00 C ATOM 552 CG LEU A 36 -6.881 -0.386 3.272 1.00 0.00 C ATOM 553 CD1 LEU A 36 -6.839 -1.552 2.297 1.00 0.00 C ATOM 554 CD2 LEU A 36 -6.069 -0.771 4.473 1.00 0.00 C ATOM 0 H LEU A 36 -8.443 1.906 3.422 1.00 0.00 H new ATOM 0 HA LEU A 36 -5.850 2.029 4.367 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -6.704 0.993 1.663 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -5.197 0.649 2.487 1.00 0.00 H new ATOM 0 HG LEU A 36 -7.914 -0.164 3.538 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -7.290 -2.430 2.760 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -7.393 -1.292 1.395 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -5.804 -1.771 2.036 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -6.503 -1.657 4.936 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -5.045 -0.986 4.166 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -6.068 0.050 5.190 1.00 0.00 H new ATOM 566 N GLU A 37 -6.534 3.967 1.742 1.00 0.00 N ATOM 567 CA GLU A 37 -6.111 5.071 0.901 1.00 0.00 C ATOM 568 C GLU A 37 -5.759 6.290 1.706 1.00 0.00 C ATOM 569 O GLU A 37 -4.726 6.918 1.504 1.00 0.00 O ATOM 570 CB GLU A 37 -7.205 5.484 -0.082 1.00 0.00 C ATOM 571 CG GLU A 37 -6.658 6.078 -1.372 1.00 0.00 C ATOM 572 CD GLU A 37 -6.312 7.564 -1.311 1.00 0.00 C ATOM 573 OE1 GLU A 37 -6.974 8.332 -0.576 1.00 0.00 O ATOM 574 OE2 GLU A 37 -5.413 7.962 -2.087 1.00 0.00 O ATOM 0 H GLU A 37 -7.518 3.730 1.617 1.00 0.00 H new ATOM 0 HA GLU A 37 -5.234 4.707 0.366 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -7.817 4.614 -0.321 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -7.859 6.212 0.397 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -5.763 5.525 -1.656 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -7.392 5.925 -2.163 1.00 0.00 H new ATOM 581 N ALA A 38 -6.611 6.581 2.684 1.00 0.00 N ATOM 582 CA ALA A 38 -6.296 7.584 3.656 1.00 0.00 C ATOM 583 C ALA A 38 -5.076 7.158 4.488 1.00 0.00 C ATOM 584 O ALA A 38 -4.126 7.916 4.592 1.00 0.00 O ATOM 585 CB ALA A 38 -7.524 7.871 4.525 1.00 0.00 C ATOM 0 H ALA A 38 -7.517 6.131 2.812 1.00 0.00 H new ATOM 0 HA ALA A 38 -6.028 8.512 3.151 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -7.277 8.635 5.262 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -8.341 8.224 3.895 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -7.829 6.958 5.037 1.00 0.00 H new ATOM 591 N TYR A 39 -5.016 5.923 5.003 1.00 0.00 N ATOM 592 CA TYR A 39 -3.923 5.459 5.869 1.00 0.00 C ATOM 593 C TYR A 39 -2.551 5.462 5.141 1.00 0.00 C ATOM 594 O TYR A 39 -1.528 5.791 5.739 1.00 0.00 O ATOM 595 CB TYR A 39 -4.255 4.072 6.453 1.00 0.00 C ATOM 596 CG TYR A 39 -3.099 3.096 6.447 1.00 0.00 C ATOM 597 CD1 TYR A 39 -2.135 3.084 7.471 1.00 0.00 C ATOM 598 CD2 TYR A 39 -2.925 2.278 5.319 1.00 0.00 C ATOM 599 CE1 TYR A 39 -0.988 2.277 7.338 1.00 0.00 C ATOM 600 CE2 TYR A 39 -1.763 1.519 5.160 1.00 0.00 C ATOM 601 CZ TYR A 39 -0.792 1.513 6.171 1.00 0.00 C ATOM 602 OH TYR A 39 0.342 0.775 6.021 1.00 0.00 O ATOM 0 H TYR A 39 -5.728 5.213 4.830 1.00 0.00 H new ATOM 0 HA TYR A 39 -3.831 6.166 6.693 1.00 0.00 H new ATOM 0 HB2 TYR A 39 -4.603 4.197 7.478 1.00 0.00 H new ATOM 0 HB3 TYR A 39 -5.081 3.641 5.887 1.00 0.00 H new ATOM 0 HD1 TYR A 39 -2.273 3.690 8.354 1.00 0.00 H new ATOM 0 HD2 TYR A 39 -3.698 2.235 4.566 1.00 0.00 H new ATOM 0 HE1 TYR A 39 -0.257 2.244 8.133 1.00 0.00 H new ATOM 0 HE2 TYR A 39 -1.613 0.939 4.261 1.00 0.00 H new ATOM 0 HH TYR A 39 0.673 0.866 5.103 1.00 0.00 H new ATOM 612 N TYR A 40 -2.548 5.208 3.835 1.00 0.00 N ATOM 613 CA TYR A 40 -1.425 5.415 2.912 1.00 0.00 C ATOM 614 C TYR A 40 -1.042 6.888 2.925 1.00 0.00 C ATOM 615 O TYR A 40 0.061 7.224 3.348 1.00 0.00 O ATOM 616 CB TYR A 40 -1.945 4.998 1.518 1.00 0.00 C ATOM 617 CG TYR A 40 -1.196 5.472 0.287 1.00 0.00 C ATOM 618 CD1 TYR A 40 0.151 5.136 0.053 1.00 0.00 C ATOM 619 CD2 TYR A 40 -1.909 6.234 -0.660 1.00 0.00 C ATOM 620 CE1 TYR A 40 0.785 5.574 -1.125 1.00 0.00 C ATOM 621 CE2 TYR A 40 -1.265 6.694 -1.815 1.00 0.00 C ATOM 622 CZ TYR A 40 0.077 6.355 -2.058 1.00 0.00 C ATOM 623 OH TYR A 40 0.651 6.788 -3.209 1.00 0.00 O ATOM 0 H TYR A 40 -3.370 4.832 3.363 1.00 0.00 H new ATOM 0 HA TYR A 40 -0.543 4.837 3.187 1.00 0.00 H new ATOM 0 HB2 TYR A 40 -1.973 3.909 1.488 1.00 0.00 H new ATOM 0 HB3 TYR A 40 -2.975 5.346 1.432 1.00 0.00 H new ATOM 0 HD1 TYR A 40 0.696 4.545 0.774 1.00 0.00 H new ATOM 0 HD2 TYR A 40 -2.951 6.463 -0.495 1.00 0.00 H new ATOM 0 HE1 TYR A 40 1.815 5.311 -1.313 1.00 0.00 H new ATOM 0 HE2 TYR A 40 -1.801 7.311 -2.521 1.00 0.00 H new ATOM 0 HH TYR A 40 1.427 7.348 -2.997 1.00 0.00 H new ATOM 633 N LYS A 41 -1.975 7.789 2.639 1.00 0.00 N ATOM 634 CA LYS A 41 -1.703 9.231 2.612 1.00 0.00 C ATOM 635 C LYS A 41 -1.231 9.789 3.972 1.00 0.00 C ATOM 636 O LYS A 41 -0.358 10.656 4.013 1.00 0.00 O ATOM 637 CB LYS A 41 -2.932 9.966 2.105 1.00 0.00 C ATOM 638 CG LYS A 41 -3.277 9.497 0.684 1.00 0.00 C ATOM 639 CD LYS A 41 -2.856 10.464 -0.428 1.00 0.00 C ATOM 640 CE LYS A 41 -1.392 10.203 -0.794 1.00 0.00 C ATOM 641 NZ LYS A 41 -0.729 11.390 -1.374 1.00 0.00 N ATOM 0 H LYS A 41 -2.941 7.546 2.419 1.00 0.00 H new ATOM 0 HA LYS A 41 -0.870 9.397 1.928 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -3.775 9.784 2.771 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -2.750 11.041 2.108 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -2.800 8.533 0.508 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -4.353 9.337 0.620 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -3.492 10.330 -1.303 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -2.983 11.495 -0.097 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -0.849 9.888 0.097 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -1.341 9.379 -1.506 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 0.259 11.159 -1.603 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -1.227 11.677 -2.240 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -0.751 12.170 -0.687 1.00 0.00 H new ATOM 655 N LYS A 42 -1.767 9.277 5.081 1.00 0.00 N ATOM 656 CA LYS A 42 -1.469 9.560 6.471 1.00 0.00 C ATOM 657 C LYS A 42 -0.060 9.105 6.892 1.00 0.00 C ATOM 658 O LYS A 42 0.645 9.824 7.603 1.00 0.00 O ATOM 659 CB LYS A 42 -2.553 8.789 7.235 1.00 0.00 C ATOM 660 CG LYS A 42 -3.959 9.395 7.169 1.00 0.00 C ATOM 661 CD LYS A 42 -4.170 10.668 7.983 1.00 0.00 C ATOM 662 CE LYS A 42 -5.518 11.223 7.520 1.00 0.00 C ATOM 663 NZ LYS A 42 -5.719 12.637 7.911 1.00 0.00 N ATOM 0 H LYS A 42 -2.503 8.575 5.009 1.00 0.00 H new ATOM 0 HA LYS A 42 -1.472 10.631 6.673 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -2.595 7.772 6.845 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -2.255 8.717 8.281 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -4.194 9.609 6.126 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -4.674 8.646 7.509 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -4.178 10.455 9.052 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -3.368 11.385 7.807 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -5.589 11.137 6.436 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -6.320 10.616 7.941 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -6.647 12.962 7.573 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -5.680 12.720 8.947 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -4.971 13.224 7.488 1.00 0.00 H new ATOM 677 N ARG A 43 0.371 7.927 6.431 1.00 0.00 N ATOM 678 CA ARG A 43 1.700 7.375 6.692 1.00 0.00 C ATOM 679 C ARG A 43 2.829 8.113 5.979 1.00 0.00 C ATOM 680 O ARG A 43 3.893 8.259 6.571 1.00 0.00 O ATOM 681 CB ARG A 43 1.705 5.886 6.297 1.00 0.00 C ATOM 682 CG ARG A 43 3.112 5.265 6.405 1.00 0.00 C ATOM 683 CD ARG A 43 3.207 3.824 5.890 1.00 0.00 C ATOM 684 NE ARG A 43 2.557 2.830 6.765 1.00 0.00 N ATOM 685 CZ ARG A 43 3.060 2.251 7.844 1.00 0.00 C ATOM 686 NH1 ARG A 43 4.183 2.634 8.392 1.00 0.00 N ATOM 687 NH2 ARG A 43 2.443 1.242 8.396 1.00 0.00 N ATOM 0 H ARG A 43 -0.209 7.318 5.853 1.00 0.00 H new ATOM 0 HA ARG A 43 1.895 7.499 7.757 1.00 0.00 H new ATOM 0 HB2 ARG A 43 1.016 5.338 6.940 1.00 0.00 H new ATOM 0 HB3 ARG A 43 1.340 5.781 5.276 1.00 0.00 H new ATOM 0 HG2 ARG A 43 3.814 5.885 5.847 1.00 0.00 H new ATOM 0 HG3 ARG A 43 3.427 5.287 7.448 1.00 0.00 H new ATOM 0 HD2 ARG A 43 2.754 3.772 4.900 1.00 0.00 H new ATOM 0 HD3 ARG A 43 4.258 3.559 5.774 1.00 0.00 H new ATOM 0 HE ARG A 43 1.608 2.557 6.508 1.00 0.00 H new ATOM 0 HH11 ARG A 43 4.709 3.409 7.988 1.00 0.00 H new ATOM 0 HH12 ARG A 43 4.533 2.158 9.224 1.00 0.00 H new ATOM 0 HH21 ARG A 43 1.570 0.897 7.996 1.00 0.00 H new ATOM 0 HH22 ARG A 43 2.833 0.798 9.227 1.00 0.00 H new ATOM 701 N VAL A 44 2.736 8.499 4.710 1.00 0.00 N ATOM 702 CA VAL A 44 3.994 8.692 3.972 1.00 0.00 C ATOM 703 C VAL A 44 4.772 9.958 4.363 1.00 0.00 C ATOM 704 O VAL A 44 5.956 10.099 4.085 1.00 0.00 O ATOM 705 CB VAL A 44 3.865 8.441 2.475 1.00 0.00 C ATOM 706 CG1 VAL A 44 2.728 7.515 2.030 1.00 0.00 C ATOM 707 CG2 VAL A 44 3.840 9.655 1.549 1.00 0.00 C ATOM 0 H VAL A 44 1.874 8.676 4.195 1.00 0.00 H new ATOM 0 HA VAL A 44 4.650 7.892 4.315 1.00 0.00 H new ATOM 0 HB VAL A 44 4.823 7.936 2.353 1.00 0.00 H new ATOM 0 HG11 VAL A 44 2.742 7.417 0.945 1.00 0.00 H new ATOM 0 HG12 VAL A 44 2.859 6.533 2.485 1.00 0.00 H new ATOM 0 HG13 VAL A 44 1.772 7.935 2.344 1.00 0.00 H new ATOM 0 HG21 VAL A 44 3.745 9.322 0.515 1.00 0.00 H new ATOM 0 HG22 VAL A 44 2.992 10.291 1.805 1.00 0.00 H new ATOM 0 HG23 VAL A 44 4.765 10.220 1.664 1.00 0.00 H new ATOM 802 N LYS A 50 8.835 6.062 -1.112 1.00 0.00 N ATOM 803 CA LYS A 50 9.594 6.217 -2.348 1.00 0.00 C ATOM 804 C LYS A 50 8.698 5.916 -3.540 1.00 0.00 C ATOM 805 O LYS A 50 7.652 5.282 -3.384 1.00 0.00 O ATOM 806 CB LYS A 50 10.838 5.312 -2.332 1.00 0.00 C ATOM 807 CG LYS A 50 10.652 3.842 -2.737 1.00 0.00 C ATOM 808 CD LYS A 50 10.833 2.912 -1.549 1.00 0.00 C ATOM 809 CE LYS A 50 9.797 3.219 -0.474 1.00 0.00 C ATOM 810 NZ LYS A 50 9.790 2.227 0.633 1.00 0.00 N ATOM 0 HA LYS A 50 9.941 7.247 -2.434 1.00 0.00 H new ATOM 0 HB2 LYS A 50 11.582 5.752 -2.996 1.00 0.00 H new ATOM 0 HB3 LYS A 50 11.256 5.333 -1.326 1.00 0.00 H new ATOM 0 HG2 LYS A 50 9.658 3.703 -3.161 1.00 0.00 H new ATOM 0 HG3 LYS A 50 11.370 3.584 -3.516 1.00 0.00 H new ATOM 0 HD2 LYS A 50 10.736 1.875 -1.872 1.00 0.00 H new ATOM 0 HD3 LYS A 50 11.837 3.025 -1.139 1.00 0.00 H new ATOM 0 HE2 LYS A 50 9.991 4.210 -0.064 1.00 0.00 H new ATOM 0 HE3 LYS A 50 8.808 3.251 -0.931 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 9.151 2.552 1.387 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 9.462 1.308 0.274 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 10.752 2.126 1.014 1.00 0.00 H new ATOM 824 N ASP A 51 9.175 6.238 -4.736 1.00 0.00 N ATOM 825 CA ASP A 51 8.407 6.057 -5.977 1.00 0.00 C ATOM 826 C ASP A 51 7.944 4.607 -6.112 1.00 0.00 C ATOM 827 O ASP A 51 6.774 4.321 -6.329 1.00 0.00 O ATOM 828 CB ASP A 51 9.252 6.489 -7.189 1.00 0.00 C ATOM 829 CG ASP A 51 9.638 7.982 -7.164 1.00 0.00 C ATOM 830 OD1 ASP A 51 8.850 8.823 -7.660 1.00 0.00 O ATOM 831 OD2 ASP A 51 10.734 8.322 -6.650 1.00 0.00 O ATOM 0 H ASP A 51 10.104 6.632 -4.881 1.00 0.00 H new ATOM 0 HA ASP A 51 7.519 6.687 -5.940 1.00 0.00 H new ATOM 0 HB2 ASP A 51 10.160 5.887 -7.223 1.00 0.00 H new ATOM 0 HB3 ASP A 51 8.696 6.280 -8.103 1.00 0.00 H new ATOM 836 N THR A 52 8.838 3.672 -5.809 1.00 0.00 N ATOM 837 CA THR A 52 8.622 2.221 -5.911 1.00 0.00 C ATOM 838 C THR A 52 7.474 1.677 -5.057 1.00 0.00 C ATOM 839 O THR A 52 6.847 0.691 -5.438 1.00 0.00 O ATOM 840 CB THR A 52 9.884 1.551 -5.358 1.00 0.00 C ATOM 841 OG1 THR A 52 11.030 1.929 -6.081 1.00 0.00 O ATOM 842 CG2 THR A 52 9.854 0.033 -5.231 1.00 0.00 C ATOM 0 H THR A 52 9.772 3.906 -5.472 1.00 0.00 H new ATOM 0 HA THR A 52 8.389 2.016 -6.956 1.00 0.00 H new ATOM 0 HB THR A 52 9.921 1.926 -4.335 1.00 0.00 H new ATOM 0 HG1 THR A 52 11.817 1.486 -5.702 1.00 0.00 H new ATOM 0 HG21 THR A 52 10.805 -0.317 -4.829 1.00 0.00 H new ATOM 0 HG22 THR A 52 9.046 -0.260 -4.561 1.00 0.00 H new ATOM 0 HG23 THR A 52 9.690 -0.411 -6.213 1.00 0.00 H new ATOM 850 N ASP A 53 7.207 2.270 -3.882 1.00 0.00 N ATOM 851 CA ASP A 53 5.969 1.989 -3.132 1.00 0.00 C ATOM 852 C ASP A 53 4.808 2.677 -3.816 1.00 0.00 C ATOM 853 O ASP A 53 3.835 2.043 -4.235 1.00 0.00 O ATOM 854 CB ASP A 53 6.135 2.465 -1.667 1.00 0.00 C ATOM 855 CG ASP A 53 4.926 2.432 -0.706 1.00 0.00 C ATOM 856 OD1 ASP A 53 3.756 2.523 -1.132 1.00 0.00 O ATOM 857 OD2 ASP A 53 5.185 2.354 0.522 1.00 0.00 O ATOM 0 H ASP A 53 7.827 2.943 -3.432 1.00 0.00 H new ATOM 0 HA ASP A 53 5.767 0.918 -3.115 1.00 0.00 H new ATOM 0 HB2 ASP A 53 6.924 1.863 -1.217 1.00 0.00 H new ATOM 0 HB3 ASP A 53 6.497 3.493 -1.698 1.00 0.00 H new ATOM 862 N ASP A 54 5.005 3.961 -4.057 1.00 0.00 N ATOM 863 CA ASP A 54 3.906 4.870 -4.261 1.00 0.00 C ATOM 864 C ASP A 54 3.146 4.557 -5.527 1.00 0.00 C ATOM 865 O ASP A 54 1.933 4.436 -5.498 1.00 0.00 O ATOM 866 CB ASP A 54 4.560 6.250 -4.441 1.00 0.00 C ATOM 867 CG ASP A 54 3.579 7.433 -4.408 1.00 0.00 C ATOM 868 OD1 ASP A 54 3.099 7.806 -3.314 1.00 0.00 O ATOM 869 OD2 ASP A 54 3.296 7.998 -5.492 1.00 0.00 O ATOM 0 H ASP A 54 5.926 4.394 -4.115 1.00 0.00 H new ATOM 0 HA ASP A 54 3.206 4.809 -3.428 1.00 0.00 H new ATOM 0 HB2 ASP A 54 5.304 6.390 -3.657 1.00 0.00 H new ATOM 0 HB3 ASP A 54 5.093 6.264 -5.392 1.00 0.00 H new ATOM 874 N ILE A 55 3.857 4.339 -6.627 1.00 0.00 N ATOM 875 CA ILE A 55 3.195 3.996 -7.899 1.00 0.00 C ATOM 876 C ILE A 55 2.568 2.619 -7.849 1.00 0.00 C ATOM 877 O ILE A 55 1.433 2.406 -8.266 1.00 0.00 O ATOM 878 CB ILE A 55 4.138 4.015 -9.133 1.00 0.00 C ATOM 879 CG1 ILE A 55 5.382 4.909 -9.001 1.00 0.00 C ATOM 880 CG2 ILE A 55 3.343 4.405 -10.390 1.00 0.00 C ATOM 881 CD1 ILE A 55 6.612 3.998 -9.191 1.00 0.00 C ATOM 0 H ILE A 55 4.875 4.390 -6.674 1.00 0.00 H new ATOM 0 HA ILE A 55 2.442 4.775 -8.018 1.00 0.00 H new ATOM 0 HB ILE A 55 4.527 3.000 -9.211 1.00 0.00 H new ATOM 0 HG12 ILE A 55 5.369 5.701 -9.750 1.00 0.00 H new ATOM 0 HG13 ILE A 55 5.407 5.393 -8.025 1.00 0.00 H new ATOM 0 HG21 ILE A 55 4.009 4.417 -11.253 1.00 0.00 H new ATOM 0 HG22 ILE A 55 2.547 3.680 -10.556 1.00 0.00 H new ATOM 0 HG23 ILE A 55 2.909 5.395 -10.253 1.00 0.00 H new ATOM 0 HD11 ILE A 55 7.522 4.592 -9.105 1.00 0.00 H new ATOM 0 HD12 ILE A 55 6.612 3.222 -8.425 1.00 0.00 H new ATOM 0 HD13 ILE A 55 6.573 3.535 -10.177 1.00 0.00 H new ATOM 893 N SER A 56 3.365 1.671 -7.339 1.00 0.00 N ATOM 894 CA SER A 56 3.024 0.265 -7.471 1.00 0.00 C ATOM 895 C SER A 56 1.742 -0.060 -6.711 1.00 0.00 C ATOM 896 O SER A 56 0.805 -0.668 -7.225 1.00 0.00 O ATOM 897 CB SER A 56 4.219 -0.558 -6.979 1.00 0.00 C ATOM 898 OG SER A 56 4.964 -1.071 -8.068 1.00 0.00 O ATOM 0 H SER A 56 4.235 1.856 -6.840 1.00 0.00 H new ATOM 0 HA SER A 56 2.825 0.016 -8.513 1.00 0.00 H new ATOM 0 HB2 SER A 56 4.861 0.064 -6.355 1.00 0.00 H new ATOM 0 HB3 SER A 56 3.867 -1.380 -6.355 1.00 0.00 H new ATOM 0 HG SER A 56 5.722 -1.591 -7.729 1.00 0.00 H new ATOM 904 N VAL A 57 1.749 0.385 -5.460 1.00 0.00 N ATOM 905 CA VAL A 57 0.633 0.303 -4.542 1.00 0.00 C ATOM 906 C VAL A 57 -0.550 1.171 -4.909 1.00 0.00 C ATOM 907 O VAL A 57 -1.644 0.648 -4.983 1.00 0.00 O ATOM 908 CB VAL A 57 1.125 0.558 -3.113 1.00 0.00 C ATOM 909 CG1 VAL A 57 0.927 1.957 -2.609 1.00 0.00 C ATOM 910 CG2 VAL A 57 0.439 -0.349 -2.107 1.00 0.00 C ATOM 0 H VAL A 57 2.568 0.830 -5.046 1.00 0.00 H new ATOM 0 HA VAL A 57 0.239 -0.711 -4.613 1.00 0.00 H new ATOM 0 HB VAL A 57 2.194 0.359 -3.191 1.00 0.00 H new ATOM 0 HG11 VAL A 57 1.307 2.034 -1.590 1.00 0.00 H new ATOM 0 HG12 VAL A 57 1.465 2.655 -3.251 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -0.135 2.200 -2.619 1.00 0.00 H new ATOM 0 HG21 VAL A 57 0.817 -0.135 -1.107 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -0.637 -0.174 -2.133 1.00 0.00 H new ATOM 0 HG23 VAL A 57 0.643 -1.390 -2.357 1.00 0.00 H new ATOM 920 N ARG A 58 -0.373 2.449 -5.278 1.00 0.00 N ATOM 921 CA ARG A 58 -1.539 3.271 -5.576 1.00 0.00 C ATOM 922 C ARG A 58 -2.207 2.814 -6.842 1.00 0.00 C ATOM 923 O ARG A 58 -3.427 2.843 -6.933 1.00 0.00 O ATOM 924 CB ARG A 58 -1.208 4.746 -5.720 1.00 0.00 C ATOM 925 CG ARG A 58 -2.162 5.639 -4.932 1.00 0.00 C ATOM 926 CD ARG A 58 -3.585 5.553 -5.461 1.00 0.00 C ATOM 927 NE ARG A 58 -4.412 6.642 -4.904 1.00 0.00 N ATOM 928 CZ ARG A 58 -5.011 7.635 -5.538 1.00 0.00 C ATOM 929 NH1 ARG A 58 -5.001 7.759 -6.836 1.00 0.00 N ATOM 930 NH2 ARG A 58 -5.655 8.533 -4.851 1.00 0.00 N ATOM 0 H ARG A 58 0.530 2.914 -5.373 1.00 0.00 H new ATOM 0 HA ARG A 58 -2.207 3.151 -4.723 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -0.187 4.921 -5.380 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -1.244 5.022 -6.774 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -2.147 5.349 -3.881 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -1.818 6.672 -4.982 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -3.579 5.614 -6.549 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -4.019 4.588 -5.198 1.00 0.00 H new ATOM 0 HE ARG A 58 -4.538 6.626 -3.892 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -4.515 7.070 -7.410 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -5.479 8.545 -7.277 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -5.694 8.466 -3.834 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -6.121 9.304 -5.330 1.00 0.00 H new ATOM 944 N ASP A 59 -1.422 2.371 -7.813 1.00 0.00 N ATOM 945 CA ASP A 59 -2.020 1.918 -9.063 1.00 0.00 C ATOM 946 C ASP A 59 -2.885 0.665 -8.889 1.00 0.00 C ATOM 947 O ASP A 59 -3.828 0.436 -9.637 1.00 0.00 O ATOM 948 CB ASP A 59 -0.933 1.652 -10.116 1.00 0.00 C ATOM 949 CG ASP A 59 -1.489 1.325 -11.516 1.00 0.00 C ATOM 950 OD1 ASP A 59 -2.039 2.234 -12.180 1.00 0.00 O ATOM 951 OD2 ASP A 59 -1.351 0.164 -11.968 1.00 0.00 O ATOM 0 H ASP A 59 -0.405 2.315 -7.767 1.00 0.00 H new ATOM 0 HA ASP A 59 -2.674 2.722 -9.401 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -0.287 2.527 -10.187 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -0.310 0.823 -9.780 1.00 0.00 H new ATOM 956 N ALA A 60 -2.475 -0.191 -7.950 1.00 0.00 N ATOM 957 CA ALA A 60 -3.151 -1.355 -7.398 1.00 0.00 C ATOM 958 C ALA A 60 -4.344 -1.058 -6.486 1.00 0.00 C ATOM 959 O ALA A 60 -5.368 -1.719 -6.540 1.00 0.00 O ATOM 960 CB ALA A 60 -2.094 -2.166 -6.674 1.00 0.00 C ATOM 0 H ALA A 60 -1.561 -0.067 -7.514 1.00 0.00 H new ATOM 0 HA ALA A 60 -3.606 -1.902 -8.224 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -2.552 -3.055 -6.239 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -1.318 -2.465 -7.379 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -1.651 -1.562 -5.882 1.00 0.00 H new ATOM 966 N LEU A 61 -4.207 -0.065 -5.616 1.00 0.00 N ATOM 967 CA LEU A 61 -5.201 0.440 -4.700 1.00 0.00 C ATOM 968 C LEU A 61 -6.330 1.085 -5.475 1.00 0.00 C ATOM 969 O LEU A 61 -7.457 0.632 -5.432 1.00 0.00 O ATOM 970 CB LEU A 61 -4.429 1.488 -3.890 1.00 0.00 C ATOM 971 CG LEU A 61 -5.152 1.987 -2.672 1.00 0.00 C ATOM 972 CD1 LEU A 61 -4.101 2.404 -1.660 1.00 0.00 C ATOM 973 CD2 LEU A 61 -6.171 3.085 -2.922 1.00 0.00 C ATOM 0 H LEU A 61 -3.326 0.442 -5.533 1.00 0.00 H new ATOM 0 HA LEU A 61 -5.653 -0.329 -4.074 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -3.475 1.060 -3.582 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -4.204 2.336 -4.537 1.00 0.00 H new ATOM 0 HG LEU A 61 -5.768 1.172 -2.294 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -4.590 2.773 -0.759 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -3.477 1.546 -1.409 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -3.480 3.192 -2.085 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -6.635 3.373 -1.978 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -5.674 3.950 -3.360 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -6.937 2.721 -3.607 1.00 0.00 H new ATOM 985 N ALA A 62 -5.955 1.986 -6.370 1.00 0.00 N ATOM 986 CA ALA A 62 -6.791 2.499 -7.449 1.00 0.00 C ATOM 987 C ALA A 62 -7.273 1.391 -8.401 1.00 0.00 C ATOM 988 O ALA A 62 -8.360 1.453 -8.978 1.00 0.00 O ATOM 989 CB ALA A 62 -6.086 3.642 -8.182 1.00 0.00 C ATOM 0 H ALA A 62 -5.022 2.398 -6.366 1.00 0.00 H new ATOM 0 HA ALA A 62 -7.696 2.907 -6.999 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -6.727 4.010 -8.983 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -5.880 4.451 -7.481 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -5.149 3.280 -8.604 1.00 0.00 H new ATOM 995 N GLY A 63 -6.429 0.371 -8.521 1.00 0.00 N ATOM 996 CA GLY A 63 -6.596 -0.858 -9.269 1.00 0.00 C ATOM 997 C GLY A 63 -7.856 -1.554 -8.799 1.00 0.00 C ATOM 998 O GLY A 63 -8.759 -1.830 -9.585 1.00 0.00 O ATOM 0 H GLY A 63 -5.525 0.393 -8.049 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -6.660 -0.644 -10.336 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -5.732 -1.507 -9.125 1.00 0.00 H new ATOM 1002 N LYS A 64 -7.909 -1.786 -7.481 1.00 0.00 N ATOM 1003 CA LYS A 64 -9.054 -2.298 -6.744 1.00 0.00 C ATOM 1004 C LYS A 64 -10.210 -1.317 -6.642 1.00 0.00 C ATOM 1005 O LYS A 64 -11.357 -1.710 -6.618 1.00 0.00 O ATOM 1006 CB LYS A 64 -8.582 -2.922 -5.432 1.00 0.00 C ATOM 1007 CG LYS A 64 -9.600 -3.950 -4.913 1.00 0.00 C ATOM 1008 CD LYS A 64 -9.118 -5.406 -4.906 1.00 0.00 C ATOM 1009 CE LYS A 64 -8.832 -5.942 -6.320 1.00 0.00 C ATOM 1010 NZ LYS A 64 -8.439 -7.374 -6.303 1.00 0.00 N ATOM 0 H LYS A 64 -7.108 -1.610 -6.875 1.00 0.00 H new ATOM 0 HA LYS A 64 -9.513 -3.104 -7.318 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -7.616 -3.405 -5.582 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -8.436 -2.141 -4.686 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -9.884 -3.674 -3.898 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -10.500 -3.886 -5.525 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -8.213 -5.482 -4.303 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -9.872 -6.032 -4.430 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -9.719 -5.817 -6.941 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -8.037 -5.353 -6.777 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -8.255 -7.695 -7.275 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -7.578 -7.491 -5.731 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -9.208 -7.940 -5.891 1.00 0.00 H new ATOM 1024 N ARG A 65 -9.939 -0.028 -6.541 1.00 0.00 N ATOM 1025 CA ARG A 65 -10.936 0.987 -6.250 1.00 0.00 C ATOM 1026 C ARG A 65 -12.051 0.940 -7.271 1.00 0.00 C ATOM 1027 O ARG A 65 -13.188 0.730 -6.896 1.00 0.00 O ATOM 1028 CB ARG A 65 -10.260 2.347 -6.161 1.00 0.00 C ATOM 1029 CG ARG A 65 -10.968 3.411 -5.322 1.00 0.00 C ATOM 1030 CD ARG A 65 -9.816 4.241 -4.745 1.00 0.00 C ATOM 1031 NE ARG A 65 -10.263 5.511 -4.165 1.00 0.00 N ATOM 1032 CZ ARG A 65 -10.501 6.659 -4.770 1.00 0.00 C ATOM 1033 NH1 ARG A 65 -10.382 6.829 -6.065 1.00 0.00 N ATOM 1034 NH2 ARG A 65 -10.885 7.678 -4.054 1.00 0.00 N ATOM 0 H ARG A 65 -9.000 0.351 -6.662 1.00 0.00 H new ATOM 0 HA ARG A 65 -11.402 0.793 -5.284 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -9.259 2.204 -5.755 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -10.141 2.735 -7.173 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -11.637 4.021 -5.929 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -11.573 2.963 -4.534 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -9.303 3.659 -3.980 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -9.090 4.443 -5.533 1.00 0.00 H new ATOM 0 HE ARG A 65 -10.410 5.506 -3.156 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -10.092 6.051 -6.657 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -10.579 7.740 -6.480 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -10.996 7.579 -3.045 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -11.074 8.574 -4.503 1.00 0.00 H new ATOM 1048 N ALA A 66 -11.700 0.895 -8.552 1.00 0.00 N ATOM 1049 CA ALA A 66 -12.695 0.762 -9.613 1.00 0.00 C ATOM 1050 C ALA A 66 -13.546 -0.504 -9.475 1.00 0.00 C ATOM 1051 O ALA A 66 -14.738 -0.493 -9.781 1.00 0.00 O ATOM 1052 CB ALA A 66 -12.025 0.722 -10.980 1.00 0.00 C ATOM 0 H ALA A 66 -10.736 0.948 -8.881 1.00 0.00 H new ATOM 0 HA ALA A 66 -13.342 1.634 -9.520 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -12.785 0.623 -11.755 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -11.464 1.643 -11.138 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -11.345 -0.129 -11.027 1.00 0.00 H new ATOM 1058 N GLU A 67 -12.928 -1.598 -9.019 1.00 0.00 N ATOM 1059 CA GLU A 67 -13.568 -2.900 -8.860 1.00 0.00 C ATOM 1060 C GLU A 67 -14.605 -2.824 -7.770 1.00 0.00 C ATOM 1061 O GLU A 67 -15.692 -3.384 -7.843 1.00 0.00 O ATOM 1062 CB GLU A 67 -12.544 -3.928 -8.383 1.00 0.00 C ATOM 1063 CG GLU A 67 -11.281 -3.939 -9.212 1.00 0.00 C ATOM 1064 CD GLU A 67 -11.476 -4.637 -10.555 1.00 0.00 C ATOM 1065 OE1 GLU A 67 -11.481 -5.889 -10.571 1.00 0.00 O ATOM 1066 OE2 GLU A 67 -11.603 -3.952 -11.592 1.00 0.00 O ATOM 0 H GLU A 67 -11.946 -1.599 -8.745 1.00 0.00 H new ATOM 0 HA GLU A 67 -14.003 -3.179 -9.820 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -12.287 -3.720 -7.344 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -12.996 -4.920 -8.408 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -10.952 -2.914 -9.382 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -10.489 -4.440 -8.656 1.00 0.00 H new ATOM 1073 N LEU A 68 -14.137 -2.236 -6.683 1.00 0.00 N ATOM 1074 CA LEU A 68 -14.839 -2.050 -5.442 1.00 0.00 C ATOM 1075 C LEU A 68 -16.013 -1.093 -5.494 1.00 0.00 C ATOM 1076 O LEU A 68 -16.967 -1.198 -4.737 1.00 0.00 O ATOM 1077 CB LEU A 68 -13.810 -1.782 -4.403 1.00 0.00 C ATOM 1078 CG LEU A 68 -13.339 -3.107 -3.845 1.00 0.00 C ATOM 1079 CD1 LEU A 68 -12.267 -2.740 -2.924 1.00 0.00 C ATOM 1080 CD2 LEU A 68 -14.354 -3.768 -2.914 1.00 0.00 C ATOM 0 H LEU A 68 -13.192 -1.853 -6.650 1.00 0.00 H new ATOM 0 HA LEU A 68 -15.379 -2.959 -5.178 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -12.972 -1.232 -4.832 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -14.226 -1.162 -3.609 1.00 0.00 H new ATOM 0 HG LEU A 68 -13.108 -3.771 -4.678 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -11.858 -3.640 -2.465 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -11.480 -2.221 -3.471 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -12.662 -2.085 -2.148 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -13.952 -4.714 -2.550 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -14.555 -3.110 -2.069 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -15.280 -3.953 -3.458 1.00 0.00 H new ATOM 1092 N GLU A 69 -15.858 -0.093 -6.344 1.00 0.00 N ATOM 1093 CA GLU A 69 -16.793 0.929 -6.743 1.00 0.00 C ATOM 1094 C GLU A 69 -17.855 0.390 -7.702 1.00 0.00 C ATOM 1095 O GLU A 69 -19.025 0.772 -7.650 1.00 0.00 O ATOM 1096 CB GLU A 69 -15.927 1.952 -7.458 1.00 0.00 C ATOM 1097 CG GLU A 69 -15.516 3.188 -6.659 1.00 0.00 C ATOM 1098 CD GLU A 69 -15.111 4.316 -7.602 1.00 0.00 C ATOM 1099 OE1 GLU A 69 -16.001 5.098 -8.010 1.00 0.00 O ATOM 1100 OE2 GLU A 69 -13.904 4.430 -7.916 1.00 0.00 O ATOM 0 H GLU A 69 -14.966 0.030 -6.824 1.00 0.00 H new ATOM 0 HA GLU A 69 -17.338 1.332 -5.889 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -15.021 1.451 -7.798 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -16.460 2.285 -8.348 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -16.343 3.512 -6.027 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -14.686 2.942 -5.997 1.00 0.00 H new ATOM 1107 N ASP A 70 -17.436 -0.579 -8.520 1.00 0.00 N ATOM 1108 CA ASP A 70 -18.332 -1.549 -9.183 1.00 0.00 C ATOM 1109 C ASP A 70 -18.939 -2.522 -8.170 1.00 0.00 C ATOM 1110 O ASP A 70 -19.981 -3.123 -8.438 1.00 0.00 O ATOM 1111 CB ASP A 70 -17.595 -2.330 -10.292 1.00 0.00 C ATOM 1112 CG ASP A 70 -17.892 -1.782 -11.705 1.00 0.00 C ATOM 1113 OD1 ASP A 70 -18.930 -2.177 -12.296 1.00 0.00 O ATOM 1114 OD2 ASP A 70 -17.106 -0.963 -12.242 1.00 0.00 O ATOM 0 H ASP A 70 -16.452 -0.720 -8.748 1.00 0.00 H new ATOM 0 HA ASP A 70 -19.139 -0.979 -9.644 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -16.521 -2.287 -10.109 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -17.885 -3.380 -10.246 1.00 0.00 H new ATOM 1119 N SER A 71 -18.336 -2.610 -6.979 1.00 0.00 N ATOM 1120 CA SER A 71 -18.865 -3.378 -5.837 1.00 0.00 C ATOM 1121 C SER A 71 -19.483 -2.489 -4.720 1.00 0.00 C ATOM 1122 O SER A 71 -19.573 -2.915 -3.562 1.00 0.00 O ATOM 1123 CB SER A 71 -17.784 -4.322 -5.285 1.00 0.00 C ATOM 1124 OG SER A 71 -18.353 -5.330 -4.463 1.00 0.00 O ATOM 0 H SER A 71 -17.452 -2.143 -6.774 1.00 0.00 H new ATOM 0 HA SER A 71 -19.695 -3.975 -6.215 1.00 0.00 H new ATOM 0 HB2 SER A 71 -17.245 -4.785 -6.112 1.00 0.00 H new ATOM 0 HB3 SER A 71 -17.056 -3.749 -4.711 1.00 0.00 H new ATOM 0 HG SER A 71 -19.020 -4.929 -3.868 1.00 0.00 H new ATOM 1130 N ASP A 72 -19.902 -1.255 -5.062 1.00 0.00 N ATOM 1131 CA ASP A 72 -20.451 -0.246 -4.124 1.00 0.00 C ATOM 1132 C ASP A 72 -21.653 -0.786 -3.301 1.00 0.00 C ATOM 1133 O ASP A 72 -21.933 -0.321 -2.195 1.00 0.00 O ATOM 1134 CB ASP A 72 -20.868 1.013 -4.910 1.00 0.00 C ATOM 1135 CG ASP A 72 -21.520 2.107 -4.043 1.00 0.00 C ATOM 1136 OD1 ASP A 72 -20.808 2.792 -3.270 1.00 0.00 O ATOM 1137 OD2 ASP A 72 -22.759 2.301 -4.148 1.00 0.00 O ATOM 0 H ASP A 72 -19.869 -0.919 -6.025 1.00 0.00 H new ATOM 0 HA ASP A 72 -19.665 0.000 -3.410 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -19.989 1.430 -5.401 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -21.565 0.723 -5.696 1.00 0.00 H new