USER MOD reduce.3.24.130724 H: found=0, std=0, add=517, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 519 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 75 ASN : amide:sc= 0.865 K(o=1.9,f=-4!) USER MOD Set 1.2: A 90 SER OG : rot 109:sc= 1.07 USER MOD Set 2.1: A 21 SER OG : rot -150:sc= 0.801 USER MOD Set 2.2: A 62 ASN : amide:sc= -1.18 K(o=-0.38,f=-1!) USER MOD Set 3.1: A 40 TYR OH : rot 142:sc= 0.61 USER MOD Set 3.2: A 50 GLN : amide:sc= 0.272 K(o=0.88,f=-0.76) USER MOD Single : A 20 SER OG : rot -28:sc= -1.62! USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 28 SER OG : rot 180:sc= -1.71 USER MOD Single : A 34 SER OG : rot -160:sc= -0.294 USER MOD Single : A 43 SER OG : rot 130:sc= -1.2 USER MOD Single : A 51 TYR OH : rot 180:sc= -0.287 USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 57 THR OG1 : rot 180:sc= 0 USER MOD Single : A 59 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 TYR OH : rot 180:sc= -0.46 USER MOD Single : A 77 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 GLN : amide:sc= -6.27! C(o=-6.3!,f=-3.2!) USER MOD Single : A 80 SER OG : rot 26:sc= -4.68! USER MOD Single : A 85 GLN : amide:sc= -7.21! C(o=-7.2!,f=-8.1!) USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 91 THR OG1 : rot 180:sc= 0 USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 93 GLN : amide:sc= -1.61! K(o=-1.6!,f=-0.0036) USER MOD Single : A 94 THR OG1 : rot 180:sc= 0 USER MOD Single : A 95 THR OG1 : rot -20:sc= -2.56! USER MOD ----------------------------------------------------------------- ATOM 263 N SER A 20 9.966 -7.854 -0.201 1.00 0.00 N ATOM 264 CA SER A 20 8.669 -8.515 -0.215 1.00 0.00 C ATOM 265 C SER A 20 7.558 -7.478 -0.312 1.00 0.00 C ATOM 266 O SER A 20 6.429 -7.719 0.113 1.00 0.00 O ATOM 267 CB SER A 20 8.494 -9.338 1.061 1.00 0.00 C ATOM 268 OG SER A 20 9.130 -8.669 2.141 1.00 0.00 O ATOM 0 HA SER A 20 8.617 -9.176 -1.080 1.00 0.00 H new ATOM 0 HB2 SER A 20 7.434 -9.476 1.276 1.00 0.00 H new ATOM 0 HB3 SER A 20 8.924 -10.331 0.929 1.00 0.00 H new ATOM 0 HG SER A 20 9.871 -8.126 1.799 1.00 0.00 H new ATOM 274 N SER A 21 7.891 -6.315 -0.867 1.00 0.00 N ATOM 275 CA SER A 21 6.920 -5.237 -1.001 1.00 0.00 C ATOM 276 C SER A 21 5.739 -5.657 -1.874 1.00 0.00 C ATOM 277 O SER A 21 5.902 -6.367 -2.867 1.00 0.00 O ATOM 278 CB SER A 21 7.595 -4.009 -1.611 1.00 0.00 C ATOM 279 OG SER A 21 7.857 -4.254 -2.987 1.00 0.00 O ATOM 0 H SER A 21 8.820 -6.098 -1.228 1.00 0.00 H new ATOM 0 HA SER A 21 6.541 -4.998 -0.007 1.00 0.00 H new ATOM 0 HB2 SER A 21 6.954 -3.134 -1.501 1.00 0.00 H new ATOM 0 HB3 SER A 21 8.524 -3.791 -1.085 1.00 0.00 H new ATOM 0 HG SER A 21 8.653 -3.753 -3.263 1.00 0.00 H new ATOM 285 N PHE A 22 4.552 -5.200 -1.487 1.00 0.00 N ATOM 286 CA PHE A 22 3.323 -5.505 -2.217 1.00 0.00 C ATOM 287 C PHE A 22 2.955 -4.382 -3.173 1.00 0.00 C ATOM 288 O PHE A 22 3.188 -3.214 -2.889 1.00 0.00 O ATOM 289 CB PHE A 22 2.161 -5.665 -1.233 1.00 0.00 C ATOM 290 CG PHE A 22 2.133 -7.036 -0.603 1.00 0.00 C ATOM 291 CD1 PHE A 22 3.233 -7.901 -0.682 1.00 0.00 C ATOM 292 CD2 PHE A 22 0.972 -7.441 0.059 1.00 0.00 C ATOM 293 CE1 PHE A 22 3.160 -9.172 -0.095 1.00 0.00 C ATOM 294 CE2 PHE A 22 0.902 -8.703 0.647 1.00 0.00 C ATOM 295 CZ PHE A 22 1.994 -9.571 0.570 1.00 0.00 C ATOM 0 H PHE A 22 4.414 -4.612 -0.665 1.00 0.00 H new ATOM 0 HA PHE A 22 3.498 -6.424 -2.776 1.00 0.00 H new ATOM 0 HB2 PHE A 22 2.242 -4.909 -0.452 1.00 0.00 H new ATOM 0 HB3 PHE A 22 1.220 -5.486 -1.753 1.00 0.00 H new ATOM 0 HD1 PHE A 22 4.132 -7.590 -1.193 1.00 0.00 H new ATOM 0 HD2 PHE A 22 0.125 -6.774 0.116 1.00 0.00 H new ATOM 0 HE1 PHE A 22 4.003 -9.844 -0.156 1.00 0.00 H new ATOM 0 HE2 PHE A 22 0.004 -9.010 1.162 1.00 0.00 H new ATOM 0 HZ PHE A 22 1.939 -10.550 1.023 1.00 0.00 H new ATOM 305 N VAL A 23 2.330 -4.740 -4.285 1.00 0.00 N ATOM 306 CA VAL A 23 1.879 -3.741 -5.239 1.00 0.00 C ATOM 307 C VAL A 23 0.410 -3.978 -5.554 1.00 0.00 C ATOM 308 O VAL A 23 0.061 -4.934 -6.246 1.00 0.00 O ATOM 309 CB VAL A 23 2.700 -3.802 -6.525 1.00 0.00 C ATOM 310 CG1 VAL A 23 2.013 -2.956 -7.596 1.00 0.00 C ATOM 311 CG2 VAL A 23 4.104 -3.246 -6.264 1.00 0.00 C ATOM 0 H VAL A 23 2.126 -5.705 -4.546 1.00 0.00 H new ATOM 0 HA VAL A 23 2.011 -2.752 -4.799 1.00 0.00 H new ATOM 0 HB VAL A 23 2.777 -4.836 -6.862 1.00 0.00 H new ATOM 0 HG11 VAL A 23 2.593 -2.994 -8.518 1.00 0.00 H new ATOM 0 HG12 VAL A 23 1.012 -3.346 -7.781 1.00 0.00 H new ATOM 0 HG13 VAL A 23 1.943 -1.923 -7.254 1.00 0.00 H new ATOM 0 HG21 VAL A 23 4.689 -3.290 -7.182 1.00 0.00 H new ATOM 0 HG22 VAL A 23 4.029 -2.211 -5.931 1.00 0.00 H new ATOM 0 HG23 VAL A 23 4.593 -3.841 -5.493 1.00 0.00 H new ATOM 321 N VAL A 24 -0.452 -3.111 -5.035 1.00 0.00 N ATOM 322 CA VAL A 24 -1.883 -3.257 -5.266 1.00 0.00 C ATOM 323 C VAL A 24 -2.446 -2.044 -5.990 1.00 0.00 C ATOM 324 O VAL A 24 -2.148 -0.902 -5.637 1.00 0.00 O ATOM 325 CB VAL A 24 -2.614 -3.432 -3.934 1.00 0.00 C ATOM 326 CG1 VAL A 24 -4.097 -3.700 -4.199 1.00 0.00 C ATOM 327 CG2 VAL A 24 -2.009 -4.613 -3.170 1.00 0.00 C ATOM 0 H VAL A 24 -0.190 -2.311 -4.460 1.00 0.00 H new ATOM 0 HA VAL A 24 -2.034 -4.139 -5.889 1.00 0.00 H new ATOM 0 HB VAL A 24 -2.509 -2.524 -3.339 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -4.619 -3.825 -3.250 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -4.527 -2.859 -4.742 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -4.202 -4.608 -4.793 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -2.530 -4.738 -2.221 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -2.113 -5.522 -3.763 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -0.953 -4.422 -2.982 1.00 0.00 H new ATOM 337 N SER A 25 -3.280 -2.297 -6.990 1.00 0.00 N ATOM 338 CA SER A 25 -3.901 -1.218 -7.742 1.00 0.00 C ATOM 339 C SER A 25 -5.413 -1.361 -7.689 1.00 0.00 C ATOM 340 O SER A 25 -5.936 -2.469 -7.573 1.00 0.00 O ATOM 341 CB SER A 25 -3.427 -1.235 -9.194 1.00 0.00 C ATOM 342 OG SER A 25 -3.854 -2.441 -9.814 1.00 0.00 O ATOM 0 H SER A 25 -3.540 -3.234 -7.297 1.00 0.00 H new ATOM 0 HA SER A 25 -3.612 -0.267 -7.295 1.00 0.00 H new ATOM 0 HB2 SER A 25 -3.829 -0.375 -9.730 1.00 0.00 H new ATOM 0 HB3 SER A 25 -2.341 -1.157 -9.235 1.00 0.00 H new ATOM 0 HG SER A 25 -3.553 -2.454 -10.746 1.00 0.00 H new ATOM 348 N TRP A 26 -6.114 -0.241 -7.767 1.00 0.00 N ATOM 349 CA TRP A 26 -7.564 -0.271 -7.715 1.00 0.00 C ATOM 350 C TRP A 26 -8.146 0.837 -8.579 1.00 0.00 C ATOM 351 O TRP A 26 -7.433 1.477 -9.352 1.00 0.00 O ATOM 352 CB TRP A 26 -8.022 -0.073 -6.269 1.00 0.00 C ATOM 353 CG TRP A 26 -7.385 1.168 -5.730 1.00 0.00 C ATOM 354 CD1 TRP A 26 -7.934 2.402 -5.764 1.00 0.00 C ATOM 355 CD2 TRP A 26 -6.085 1.315 -5.092 1.00 0.00 C ATOM 356 NE1 TRP A 26 -7.052 3.300 -5.189 1.00 0.00 N ATOM 357 CE2 TRP A 26 -5.897 2.677 -4.758 1.00 0.00 C ATOM 358 CE3 TRP A 26 -5.059 0.406 -4.775 1.00 0.00 C ATOM 359 CZ2 TRP A 26 -4.735 3.123 -4.129 1.00 0.00 C ATOM 360 CZ3 TRP A 26 -3.887 0.851 -4.142 1.00 0.00 C ATOM 361 CH2 TRP A 26 -3.725 2.206 -3.820 1.00 0.00 C ATOM 0 H TRP A 26 -5.707 0.689 -7.865 1.00 0.00 H new ATOM 0 HA TRP A 26 -7.911 -1.234 -8.089 1.00 0.00 H new ATOM 0 HB2 TRP A 26 -9.108 0.010 -6.225 1.00 0.00 H new ATOM 0 HB3 TRP A 26 -7.743 -0.935 -5.663 1.00 0.00 H new ATOM 0 HD1 TRP A 26 -8.903 2.647 -6.173 1.00 0.00 H new ATOM 0 HE1 TRP A 26 -7.233 4.299 -5.095 1.00 0.00 H new ATOM 0 HE3 TRP A 26 -5.173 -0.640 -5.020 1.00 0.00 H new ATOM 0 HZ2 TRP A 26 -4.616 4.168 -3.883 1.00 0.00 H new ATOM 0 HZ3 TRP A 26 -3.106 0.145 -3.902 1.00 0.00 H new ATOM 0 HH2 TRP A 26 -2.821 2.541 -3.334 1.00 0.00 H new ATOM 372 N VAL A 27 -9.440 1.068 -8.427 1.00 0.00 N ATOM 373 CA VAL A 27 -10.108 2.113 -9.179 1.00 0.00 C ATOM 374 C VAL A 27 -10.723 3.116 -8.218 1.00 0.00 C ATOM 375 O VAL A 27 -11.377 2.737 -7.247 1.00 0.00 O ATOM 376 CB VAL A 27 -11.197 1.513 -10.069 1.00 0.00 C ATOM 377 CG1 VAL A 27 -11.791 2.606 -10.960 1.00 0.00 C ATOM 378 CG2 VAL A 27 -10.590 0.416 -10.948 1.00 0.00 C ATOM 0 H VAL A 27 -10.045 0.547 -7.792 1.00 0.00 H new ATOM 0 HA VAL A 27 -9.378 2.617 -9.812 1.00 0.00 H new ATOM 0 HB VAL A 27 -11.982 1.088 -9.443 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -12.567 2.177 -11.594 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -12.223 3.389 -10.337 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -11.006 3.032 -11.585 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -11.366 -0.012 -11.583 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -9.805 0.843 -11.572 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -10.167 -0.364 -10.316 1.00 0.00 H new ATOM 388 N SER A 28 -10.501 4.393 -8.482 1.00 0.00 N ATOM 389 CA SER A 28 -11.034 5.433 -7.615 1.00 0.00 C ATOM 390 C SER A 28 -12.492 5.145 -7.273 1.00 0.00 C ATOM 391 O SER A 28 -12.948 5.444 -6.172 1.00 0.00 O ATOM 392 CB SER A 28 -10.925 6.795 -8.298 1.00 0.00 C ATOM 393 OG SER A 28 -11.356 7.805 -7.399 1.00 0.00 O ATOM 0 H SER A 28 -9.963 4.733 -9.279 1.00 0.00 H new ATOM 0 HA SER A 28 -10.451 5.446 -6.694 1.00 0.00 H new ATOM 0 HB2 SER A 28 -9.895 6.980 -8.605 1.00 0.00 H new ATOM 0 HB3 SER A 28 -11.535 6.812 -9.202 1.00 0.00 H new ATOM 0 HG SER A 28 -11.286 8.681 -7.833 1.00 0.00 H new ATOM 446 N VAL A 33 -13.206 11.590 -4.878 1.00 0.00 N ATOM 447 CA VAL A 33 -12.416 11.288 -3.701 1.00 0.00 C ATOM 448 C VAL A 33 -11.383 12.384 -3.466 1.00 0.00 C ATOM 449 O VAL A 33 -10.838 12.948 -4.414 1.00 0.00 O ATOM 450 CB VAL A 33 -11.728 9.940 -3.916 1.00 0.00 C ATOM 451 CG1 VAL A 33 -11.292 9.826 -5.375 1.00 0.00 C ATOM 452 CG2 VAL A 33 -10.505 9.816 -3.012 1.00 0.00 C ATOM 0 HA VAL A 33 -13.058 11.238 -2.821 1.00 0.00 H new ATOM 0 HB VAL A 33 -12.429 9.142 -3.671 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -10.801 8.866 -5.534 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -12.166 9.898 -6.023 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -10.598 10.633 -5.611 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -10.027 8.851 -3.177 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -9.800 10.615 -3.242 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -10.814 9.894 -1.970 1.00 0.00 H new ATOM 462 N SER A 34 -11.122 12.684 -2.198 1.00 0.00 N ATOM 463 CA SER A 34 -10.151 13.721 -1.856 1.00 0.00 C ATOM 464 C SER A 34 -8.791 13.086 -1.601 1.00 0.00 C ATOM 465 O SER A 34 -7.760 13.761 -1.596 1.00 0.00 O ATOM 466 CB SER A 34 -10.606 14.476 -0.607 1.00 0.00 C ATOM 467 OG SER A 34 -11.608 15.417 -0.966 1.00 0.00 O ATOM 0 H SER A 34 -11.563 12.231 -1.397 1.00 0.00 H new ATOM 0 HA SER A 34 -10.075 14.422 -2.687 1.00 0.00 H new ATOM 0 HB2 SER A 34 -10.996 13.777 0.133 1.00 0.00 H new ATOM 0 HB3 SER A 34 -9.759 14.986 -0.148 1.00 0.00 H new ATOM 0 HG SER A 34 -11.676 16.104 -0.270 1.00 0.00 H new ATOM 473 N GLY A 35 -8.810 11.779 -1.402 1.00 0.00 N ATOM 474 CA GLY A 35 -7.594 11.022 -1.157 1.00 0.00 C ATOM 475 C GLY A 35 -7.933 9.557 -0.918 1.00 0.00 C ATOM 476 O GLY A 35 -9.103 9.188 -0.853 1.00 0.00 O ATOM 0 H GLY A 35 -9.661 11.217 -1.405 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -6.921 11.114 -2.009 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -7.071 11.429 -0.292 1.00 0.00 H new ATOM 480 N PHE A 36 -6.912 8.728 -0.776 1.00 0.00 N ATOM 481 CA PHE A 36 -7.140 7.310 -0.534 1.00 0.00 C ATOM 482 C PHE A 36 -6.434 6.864 0.733 1.00 0.00 C ATOM 483 O PHE A 36 -5.415 7.428 1.121 1.00 0.00 O ATOM 484 CB PHE A 36 -6.629 6.471 -1.708 1.00 0.00 C ATOM 485 CG PHE A 36 -7.480 6.718 -2.929 1.00 0.00 C ATOM 486 CD1 PHE A 36 -8.660 5.988 -3.120 1.00 0.00 C ATOM 487 CD2 PHE A 36 -7.084 7.669 -3.873 1.00 0.00 C ATOM 488 CE1 PHE A 36 -9.444 6.214 -4.258 1.00 0.00 C ATOM 489 CE2 PHE A 36 -7.868 7.896 -5.008 1.00 0.00 C ATOM 490 CZ PHE A 36 -9.047 7.168 -5.201 1.00 0.00 C ATOM 0 H PHE A 36 -5.931 9.005 -0.823 1.00 0.00 H new ATOM 0 HA PHE A 36 -8.214 7.162 -0.424 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -5.590 6.724 -1.921 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -6.652 5.413 -1.447 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -8.965 5.252 -2.391 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -6.172 8.229 -3.726 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -10.354 5.652 -4.408 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -7.563 8.633 -5.736 1.00 0.00 H new ATOM 0 HZ PHE A 36 -9.651 7.343 -6.079 1.00 0.00 H new ATOM 500 N ARG A 37 -6.979 5.839 1.365 1.00 0.00 N ATOM 501 CA ARG A 37 -6.386 5.309 2.577 1.00 0.00 C ATOM 502 C ARG A 37 -6.302 3.797 2.488 1.00 0.00 C ATOM 503 O ARG A 37 -7.308 3.116 2.295 1.00 0.00 O ATOM 504 CB ARG A 37 -7.216 5.708 3.796 1.00 0.00 C ATOM 505 CG ARG A 37 -6.486 5.270 5.068 1.00 0.00 C ATOM 506 CD ARG A 37 -7.183 5.867 6.289 1.00 0.00 C ATOM 507 NE ARG A 37 -6.580 5.361 7.516 1.00 0.00 N ATOM 508 CZ ARG A 37 -6.850 5.914 8.692 1.00 0.00 C ATOM 509 NH1 ARG A 37 -7.669 6.928 8.764 1.00 0.00 N ATOM 510 NH2 ARG A 37 -6.293 5.446 9.776 1.00 0.00 N ATOM 0 H ARG A 37 -7.827 5.360 1.060 1.00 0.00 H new ATOM 0 HA ARG A 37 -5.383 5.723 2.685 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -7.374 6.786 3.806 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -8.200 5.242 3.749 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -6.476 4.182 5.138 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -5.447 5.597 5.034 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -7.110 6.954 6.262 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -8.244 5.618 6.268 1.00 0.00 H new ATOM 0 HE ARG A 37 -5.940 4.568 7.470 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -8.102 7.295 7.916 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -7.876 7.353 9.668 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -5.651 4.656 9.719 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -6.500 5.871 10.680 1.00 0.00 H new ATOM 524 N VAL A 38 -5.096 3.279 2.630 1.00 0.00 N ATOM 525 CA VAL A 38 -4.893 1.843 2.566 1.00 0.00 C ATOM 526 C VAL A 38 -4.546 1.309 3.943 1.00 0.00 C ATOM 527 O VAL A 38 -3.662 1.833 4.614 1.00 0.00 O ATOM 528 CB VAL A 38 -3.767 1.515 1.585 1.00 0.00 C ATOM 529 CG1 VAL A 38 -3.666 -0.003 1.416 1.00 0.00 C ATOM 530 CG2 VAL A 38 -4.066 2.164 0.231 1.00 0.00 C ATOM 0 H VAL A 38 -4.249 3.825 2.789 1.00 0.00 H new ATOM 0 HA VAL A 38 -5.813 1.372 2.220 1.00 0.00 H new ATOM 0 HB VAL A 38 -2.823 1.900 1.970 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -2.864 -0.239 0.717 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -3.453 -0.463 2.381 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -4.609 -0.390 1.030 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -3.264 1.931 -0.469 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -5.009 1.779 -0.157 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -4.138 3.245 0.353 1.00 0.00 H new ATOM 540 N GLU A 39 -5.238 0.261 4.356 1.00 0.00 N ATOM 541 CA GLU A 39 -4.976 -0.330 5.654 1.00 0.00 C ATOM 542 C GLU A 39 -4.646 -1.801 5.488 1.00 0.00 C ATOM 543 O GLU A 39 -5.372 -2.538 4.821 1.00 0.00 O ATOM 544 CB GLU A 39 -6.193 -0.186 6.558 1.00 0.00 C ATOM 545 CG GLU A 39 -5.819 -0.635 7.969 1.00 0.00 C ATOM 546 CD GLU A 39 -5.736 -2.157 8.026 1.00 0.00 C ATOM 547 OE1 GLU A 39 -6.238 -2.792 7.113 1.00 0.00 O ATOM 548 OE2 GLU A 39 -5.169 -2.664 8.979 1.00 0.00 O ATOM 0 H GLU A 39 -5.976 -0.193 3.818 1.00 0.00 H new ATOM 0 HA GLU A 39 -4.132 0.188 6.109 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -6.533 0.850 6.570 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -7.018 -0.788 6.177 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -4.862 -0.199 8.257 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -6.561 -0.276 8.683 1.00 0.00 H new ATOM 555 N TYR A 40 -3.547 -2.228 6.087 1.00 0.00 N ATOM 556 CA TYR A 40 -3.144 -3.617 5.978 1.00 0.00 C ATOM 557 C TYR A 40 -2.524 -4.124 7.273 1.00 0.00 C ATOM 558 O TYR A 40 -1.823 -3.394 7.973 1.00 0.00 O ATOM 559 CB TYR A 40 -2.148 -3.767 4.828 1.00 0.00 C ATOM 560 CG TYR A 40 -0.970 -2.854 5.066 1.00 0.00 C ATOM 561 CD1 TYR A 40 -1.063 -1.498 4.731 1.00 0.00 C ATOM 562 CD2 TYR A 40 0.211 -3.358 5.622 1.00 0.00 C ATOM 563 CE1 TYR A 40 0.024 -0.645 4.952 1.00 0.00 C ATOM 564 CE2 TYR A 40 1.299 -2.505 5.844 1.00 0.00 C ATOM 565 CZ TYR A 40 1.205 -1.149 5.508 1.00 0.00 C ATOM 566 OH TYR A 40 2.277 -0.308 5.726 1.00 0.00 O ATOM 0 H TYR A 40 -2.927 -1.642 6.646 1.00 0.00 H new ATOM 0 HA TYR A 40 -4.033 -4.216 5.781 1.00 0.00 H new ATOM 0 HB2 TYR A 40 -1.812 -4.801 4.755 1.00 0.00 H new ATOM 0 HB3 TYR A 40 -2.628 -3.520 3.881 1.00 0.00 H new ATOM 0 HD1 TYR A 40 -1.975 -1.110 4.302 1.00 0.00 H new ATOM 0 HD2 TYR A 40 0.283 -4.404 5.880 1.00 0.00 H new ATOM 0 HE1 TYR A 40 -0.048 0.401 4.694 1.00 0.00 H new ATOM 0 HE2 TYR A 40 2.210 -2.893 6.274 1.00 0.00 H new ATOM 0 HH TYR A 40 2.718 -0.551 6.567 1.00 0.00 H new ATOM 576 N GLU A 41 -2.782 -5.391 7.570 1.00 0.00 N ATOM 577 CA GLU A 41 -2.243 -6.023 8.764 1.00 0.00 C ATOM 578 C GLU A 41 -2.014 -7.502 8.495 1.00 0.00 C ATOM 579 O GLU A 41 -2.462 -8.031 7.479 1.00 0.00 O ATOM 580 CB GLU A 41 -3.198 -5.843 9.949 1.00 0.00 C ATOM 581 CG GLU A 41 -4.396 -6.780 9.800 1.00 0.00 C ATOM 582 CD GLU A 41 -5.378 -6.551 10.944 1.00 0.00 C ATOM 583 OE1 GLU A 41 -5.026 -5.836 11.867 1.00 0.00 O ATOM 584 OE2 GLU A 41 -6.468 -7.098 10.881 1.00 0.00 O ATOM 0 H GLU A 41 -3.364 -6.002 6.997 1.00 0.00 H new ATOM 0 HA GLU A 41 -1.294 -5.550 9.017 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -2.676 -6.052 10.883 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -3.538 -4.809 9.999 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -4.890 -6.604 8.844 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -4.060 -7.817 9.799 1.00 0.00 H new ATOM 591 N LEU A 42 -1.305 -8.166 9.395 1.00 0.00 N ATOM 592 CA LEU A 42 -1.020 -9.582 9.218 1.00 0.00 C ATOM 593 C LEU A 42 -2.251 -10.436 9.479 1.00 0.00 C ATOM 594 O LEU A 42 -2.916 -10.299 10.506 1.00 0.00 O ATOM 595 CB LEU A 42 0.107 -10.003 10.158 1.00 0.00 C ATOM 596 CG LEU A 42 1.405 -9.340 9.700 1.00 0.00 C ATOM 597 CD1 LEU A 42 2.451 -9.440 10.807 1.00 0.00 C ATOM 598 CD2 LEU A 42 1.919 -10.059 8.453 1.00 0.00 C ATOM 0 H LEU A 42 -0.920 -7.754 10.245 1.00 0.00 H new ATOM 0 HA LEU A 42 -0.716 -9.737 8.183 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -0.126 -9.709 11.181 1.00 0.00 H new ATOM 0 HB3 LEU A 42 0.216 -11.088 10.155 1.00 0.00 H new ATOM 0 HG LEU A 42 1.219 -8.290 9.474 1.00 0.00 H new ATOM 0 HD11 LEU A 42 3.376 -8.966 10.478 1.00 0.00 H new ATOM 0 HD12 LEU A 42 2.084 -8.936 11.701 1.00 0.00 H new ATOM 0 HD13 LEU A 42 2.641 -10.489 11.034 1.00 0.00 H new ATOM 0 HD21 LEU A 42 2.846 -9.592 8.120 1.00 0.00 H new ATOM 0 HD22 LEU A 42 2.105 -11.107 8.688 1.00 0.00 H new ATOM 0 HD23 LEU A 42 1.173 -9.992 7.661 1.00 0.00 H new ATOM 610 N SER A 43 -2.542 -11.324 8.539 1.00 0.00 N ATOM 611 CA SER A 43 -3.686 -12.213 8.665 1.00 0.00 C ATOM 612 C SER A 43 -3.427 -13.254 9.747 1.00 0.00 C ATOM 613 O SER A 43 -4.354 -13.887 10.250 1.00 0.00 O ATOM 614 CB SER A 43 -3.943 -12.919 7.335 1.00 0.00 C ATOM 615 OG SER A 43 -2.991 -13.960 7.167 1.00 0.00 O ATOM 0 H SER A 43 -2.002 -11.447 7.682 1.00 0.00 H new ATOM 0 HA SER A 43 -4.559 -11.621 8.939 1.00 0.00 H new ATOM 0 HB2 SER A 43 -4.953 -13.327 7.316 1.00 0.00 H new ATOM 0 HB3 SER A 43 -3.871 -12.208 6.512 1.00 0.00 H new ATOM 0 HG SER A 43 -3.453 -14.791 6.931 1.00 0.00 H new ATOM 621 N GLU A 44 -2.153 -13.432 10.088 1.00 0.00 N ATOM 622 CA GLU A 44 -1.768 -14.409 11.101 1.00 0.00 C ATOM 623 C GLU A 44 -1.489 -13.735 12.440 1.00 0.00 C ATOM 624 O GLU A 44 -2.287 -13.828 13.373 1.00 0.00 O ATOM 625 CB GLU A 44 -0.510 -15.150 10.646 1.00 0.00 C ATOM 626 CG GLU A 44 -0.759 -15.789 9.278 1.00 0.00 C ATOM 627 CD GLU A 44 -1.877 -16.820 9.379 1.00 0.00 C ATOM 628 OE1 GLU A 44 -2.183 -17.225 10.488 1.00 0.00 O ATOM 629 OE2 GLU A 44 -2.409 -17.191 8.345 1.00 0.00 O ATOM 0 H GLU A 44 -1.374 -12.915 9.680 1.00 0.00 H new ATOM 0 HA GLU A 44 -2.595 -15.108 11.228 1.00 0.00 H new ATOM 0 HB2 GLU A 44 0.331 -14.459 10.588 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -0.244 -15.916 11.374 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -1.026 -15.021 8.552 1.00 0.00 H new ATOM 0 HG3 GLU A 44 0.154 -16.264 8.918 1.00 0.00 H new ATOM 685 N PRO A 49 -2.276 -2.702 12.905 1.00 0.00 N ATOM 686 CA PRO A 49 -2.656 -2.268 11.532 1.00 0.00 C ATOM 687 C PRO A 49 -1.931 -0.992 11.119 1.00 0.00 C ATOM 688 O PRO A 49 -1.702 -0.103 11.940 1.00 0.00 O ATOM 689 CB PRO A 49 -4.168 -2.040 11.615 1.00 0.00 C ATOM 690 CG PRO A 49 -4.465 -1.833 13.063 1.00 0.00 C ATOM 691 CD PRO A 49 -3.401 -2.602 13.845 1.00 0.00 C ATOM 0 HA PRO A 49 -2.382 -3.008 10.780 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -4.466 -1.173 11.026 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -4.716 -2.896 11.221 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -4.440 -0.773 13.315 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -5.463 -2.195 13.309 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -3.115 -2.075 14.755 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -3.759 -3.587 14.146 1.00 0.00 H new ATOM 699 N GLN A 50 -1.580 -0.905 9.844 1.00 0.00 N ATOM 700 CA GLN A 50 -0.889 0.268 9.330 1.00 0.00 C ATOM 701 C GLN A 50 -1.763 0.954 8.292 1.00 0.00 C ATOM 702 O GLN A 50 -2.478 0.289 7.543 1.00 0.00 O ATOM 703 CB GLN A 50 0.438 -0.146 8.696 1.00 0.00 C ATOM 704 CG GLN A 50 1.258 -0.941 9.715 1.00 0.00 C ATOM 705 CD GLN A 50 2.146 -1.949 8.998 1.00 0.00 C ATOM 706 OE1 GLN A 50 3.026 -1.568 8.225 1.00 0.00 O ATOM 707 NE2 GLN A 50 1.961 -3.225 9.204 1.00 0.00 N ATOM 0 H GLN A 50 -1.761 -1.629 9.149 1.00 0.00 H new ATOM 0 HA GLN A 50 -0.689 0.958 10.150 1.00 0.00 H new ATOM 0 HB2 GLN A 50 0.257 -0.750 7.807 1.00 0.00 H new ATOM 0 HB3 GLN A 50 0.992 0.736 8.375 1.00 0.00 H new ATOM 0 HG2 GLN A 50 1.870 -0.263 10.309 1.00 0.00 H new ATOM 0 HG3 GLN A 50 0.592 -1.458 10.406 1.00 0.00 H new ATOM 0 HE21 GLN A 50 1.232 -3.538 9.845 1.00 0.00 H new ATOM 0 HE22 GLN A 50 2.546 -3.909 8.724 1.00 0.00 H new ATOM 716 N TYR A 51 -1.719 2.277 8.251 1.00 0.00 N ATOM 717 CA TYR A 51 -2.536 3.007 7.294 1.00 0.00 C ATOM 718 C TYR A 51 -1.674 3.908 6.419 1.00 0.00 C ATOM 719 O TYR A 51 -0.746 4.557 6.902 1.00 0.00 O ATOM 720 CB TYR A 51 -3.560 3.871 8.027 1.00 0.00 C ATOM 721 CG TYR A 51 -4.108 3.135 9.225 1.00 0.00 C ATOM 722 CD1 TYR A 51 -3.436 3.208 10.450 1.00 0.00 C ATOM 723 CD2 TYR A 51 -5.296 2.403 9.120 1.00 0.00 C ATOM 724 CE1 TYR A 51 -3.947 2.545 11.571 1.00 0.00 C ATOM 725 CE2 TYR A 51 -5.810 1.743 10.246 1.00 0.00 C ATOM 726 CZ TYR A 51 -5.133 1.813 11.468 1.00 0.00 C ATOM 727 OH TYR A 51 -5.640 1.161 12.574 1.00 0.00 O ATOM 0 H TYR A 51 -1.139 2.858 8.856 1.00 0.00 H new ATOM 0 HA TYR A 51 -3.045 2.276 6.666 1.00 0.00 H new ATOM 0 HB2 TYR A 51 -3.096 4.804 8.346 1.00 0.00 H new ATOM 0 HB3 TYR A 51 -4.373 4.135 7.351 1.00 0.00 H new ATOM 0 HD1 TYR A 51 -2.522 3.777 10.530 1.00 0.00 H new ATOM 0 HD2 TYR A 51 -5.816 2.346 8.175 1.00 0.00 H new ATOM 0 HE1 TYR A 51 -3.425 2.599 12.515 1.00 0.00 H new ATOM 0 HE2 TYR A 51 -6.729 1.181 10.169 1.00 0.00 H new ATOM 0 HH TYR A 51 -6.470 0.701 12.330 1.00 0.00 H new ATOM 737 N LEU A 52 -1.996 3.956 5.133 1.00 0.00 N ATOM 738 CA LEU A 52 -1.257 4.796 4.199 1.00 0.00 C ATOM 739 C LEU A 52 -2.217 5.695 3.424 1.00 0.00 C ATOM 740 O LEU A 52 -3.192 5.223 2.839 1.00 0.00 O ATOM 741 CB LEU A 52 -0.454 3.923 3.234 1.00 0.00 C ATOM 742 CG LEU A 52 0.543 3.082 4.032 1.00 0.00 C ATOM 743 CD1 LEU A 52 1.203 2.053 3.114 1.00 0.00 C ATOM 744 CD2 LEU A 52 1.619 3.999 4.621 1.00 0.00 C ATOM 0 H LEU A 52 -2.760 3.426 4.714 1.00 0.00 H new ATOM 0 HA LEU A 52 -0.568 5.426 4.761 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -1.123 3.276 2.667 1.00 0.00 H new ATOM 0 HB3 LEU A 52 0.073 4.547 2.512 1.00 0.00 H new ATOM 0 HG LEU A 52 0.018 2.564 4.835 1.00 0.00 H new ATOM 0 HD11 LEU A 52 1.913 1.456 3.687 1.00 0.00 H new ATOM 0 HD12 LEU A 52 0.439 1.401 2.690 1.00 0.00 H new ATOM 0 HD13 LEU A 52 1.728 2.567 2.309 1.00 0.00 H new ATOM 0 HD21 LEU A 52 2.332 3.404 5.191 1.00 0.00 H new ATOM 0 HD22 LEU A 52 2.140 4.514 3.814 1.00 0.00 H new ATOM 0 HD23 LEU A 52 1.152 4.733 5.278 1.00 0.00 H new ATOM 756 N ASP A 53 -1.935 6.992 3.432 1.00 0.00 N ATOM 757 CA ASP A 53 -2.783 7.951 2.732 1.00 0.00 C ATOM 758 C ASP A 53 -2.176 8.355 1.393 1.00 0.00 C ATOM 759 O ASP A 53 -0.994 8.690 1.307 1.00 0.00 O ATOM 760 CB ASP A 53 -2.987 9.193 3.597 1.00 0.00 C ATOM 761 CG ASP A 53 -3.610 8.803 4.933 1.00 0.00 C ATOM 762 OD1 ASP A 53 -4.635 8.141 4.915 1.00 0.00 O ATOM 763 OD2 ASP A 53 -3.052 9.169 5.954 1.00 0.00 O ATOM 0 H ASP A 53 -1.133 7.402 3.911 1.00 0.00 H new ATOM 0 HA ASP A 53 -3.744 7.473 2.541 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -2.032 9.691 3.764 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -3.631 9.904 3.080 1.00 0.00 H new ATOM 768 N LEU A 54 -3.000 8.323 0.350 1.00 0.00 N ATOM 769 CA LEU A 54 -2.554 8.688 -0.989 1.00 0.00 C ATOM 770 C LEU A 54 -3.504 9.734 -1.575 1.00 0.00 C ATOM 771 O LEU A 54 -4.665 9.812 -1.173 1.00 0.00 O ATOM 772 CB LEU A 54 -2.544 7.447 -1.889 1.00 0.00 C ATOM 773 CG LEU A 54 -2.061 6.225 -1.104 1.00 0.00 C ATOM 774 CD1 LEU A 54 -2.428 4.956 -1.875 1.00 0.00 C ATOM 775 CD2 LEU A 54 -0.543 6.294 -0.934 1.00 0.00 C ATOM 0 H LEU A 54 -3.981 8.048 0.407 1.00 0.00 H new ATOM 0 HA LEU A 54 -1.546 9.100 -0.932 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -3.545 7.264 -2.279 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -1.894 7.617 -2.747 1.00 0.00 H new ATOM 0 HG LEU A 54 -2.535 6.210 -0.122 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -2.086 4.082 -1.321 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -3.510 4.906 -2.000 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -1.950 4.974 -2.854 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -0.200 5.424 -0.375 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -0.067 6.306 -1.915 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -0.279 7.201 -0.391 1.00 0.00 H new ATOM 787 N PRO A 55 -3.048 10.531 -2.507 1.00 0.00 N ATOM 788 CA PRO A 55 -3.898 11.579 -3.135 1.00 0.00 C ATOM 789 C PRO A 55 -5.009 10.984 -3.998 1.00 0.00 C ATOM 790 O PRO A 55 -4.901 9.858 -4.482 1.00 0.00 O ATOM 791 CB PRO A 55 -2.928 12.410 -3.977 1.00 0.00 C ATOM 792 CG PRO A 55 -1.715 11.562 -4.180 1.00 0.00 C ATOM 793 CD PRO A 55 -1.684 10.521 -3.059 1.00 0.00 C ATOM 0 HA PRO A 55 -4.416 12.175 -2.384 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -3.377 12.681 -4.933 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -2.672 13.340 -3.470 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -1.748 11.074 -5.154 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -0.813 12.173 -4.160 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -1.418 9.535 -3.440 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -0.947 10.779 -2.299 1.00 0.00 H new ATOM 801 N SER A 56 -6.074 11.755 -4.184 1.00 0.00 N ATOM 802 CA SER A 56 -7.210 11.305 -4.985 1.00 0.00 C ATOM 803 C SER A 56 -6.765 10.919 -6.391 1.00 0.00 C ATOM 804 O SER A 56 -7.524 10.310 -7.144 1.00 0.00 O ATOM 805 CB SER A 56 -8.269 12.403 -5.065 1.00 0.00 C ATOM 806 OG SER A 56 -7.662 13.613 -5.501 1.00 0.00 O ATOM 0 H SER A 56 -6.176 12.692 -3.793 1.00 0.00 H new ATOM 0 HA SER A 56 -7.637 10.427 -4.501 1.00 0.00 H new ATOM 0 HB2 SER A 56 -9.060 12.111 -5.755 1.00 0.00 H new ATOM 0 HB3 SER A 56 -8.734 12.547 -4.090 1.00 0.00 H new ATOM 0 HG SER A 56 -8.340 14.318 -5.555 1.00 0.00 H new ATOM 812 N THR A 57 -5.537 11.281 -6.749 1.00 0.00 N ATOM 813 CA THR A 57 -5.025 10.962 -8.076 1.00 0.00 C ATOM 814 C THR A 57 -4.286 9.626 -8.065 1.00 0.00 C ATOM 815 O THR A 57 -3.916 9.105 -9.117 1.00 0.00 O ATOM 816 CB THR A 57 -4.077 12.066 -8.547 1.00 0.00 C ATOM 817 OG1 THR A 57 -2.899 12.051 -7.751 1.00 0.00 O ATOM 818 CG2 THR A 57 -4.768 13.422 -8.408 1.00 0.00 C ATOM 0 H THR A 57 -4.887 11.788 -6.149 1.00 0.00 H new ATOM 0 HA THR A 57 -5.870 10.888 -8.761 1.00 0.00 H new ATOM 0 HB THR A 57 -3.812 11.897 -9.591 1.00 0.00 H new ATOM 0 HG1 THR A 57 -2.291 12.757 -8.054 1.00 0.00 H new ATOM 0 HG21 THR A 57 -4.094 14.210 -8.743 1.00 0.00 H new ATOM 0 HG22 THR A 57 -5.672 13.434 -9.017 1.00 0.00 H new ATOM 0 HG23 THR A 57 -5.032 13.590 -7.364 1.00 0.00 H new ATOM 826 N ALA A 58 -4.071 9.075 -6.873 1.00 0.00 N ATOM 827 CA ALA A 58 -3.374 7.801 -6.750 1.00 0.00 C ATOM 828 C ALA A 58 -4.334 6.635 -6.958 1.00 0.00 C ATOM 829 O ALA A 58 -5.414 6.595 -6.368 1.00 0.00 O ATOM 830 CB ALA A 58 -2.727 7.692 -5.368 1.00 0.00 C ATOM 0 H ALA A 58 -4.367 9.487 -5.988 1.00 0.00 H new ATOM 0 HA ALA A 58 -2.602 7.758 -7.519 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -2.208 6.737 -5.284 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -2.014 8.506 -5.235 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -3.497 7.755 -4.600 1.00 0.00 H new ATOM 836 N THR A 59 -3.930 5.683 -7.792 1.00 0.00 N ATOM 837 CA THR A 59 -4.759 4.515 -8.060 1.00 0.00 C ATOM 838 C THR A 59 -3.957 3.234 -7.861 1.00 0.00 C ATOM 839 O THR A 59 -4.407 2.147 -8.223 1.00 0.00 O ATOM 840 CB THR A 59 -5.302 4.567 -9.488 1.00 0.00 C ATOM 841 OG1 THR A 59 -4.281 5.028 -10.362 1.00 0.00 O ATOM 842 CG2 THR A 59 -6.502 5.516 -9.547 1.00 0.00 C ATOM 0 H THR A 59 -3.040 5.697 -8.291 1.00 0.00 H new ATOM 0 HA THR A 59 -5.595 4.520 -7.360 1.00 0.00 H new ATOM 0 HB THR A 59 -5.619 3.571 -9.795 1.00 0.00 H new ATOM 0 HG1 THR A 59 -4.625 5.061 -11.279 1.00 0.00 H new ATOM 0 HG21 THR A 59 -6.888 5.552 -10.566 1.00 0.00 H new ATOM 0 HG22 THR A 59 -7.283 5.158 -8.876 1.00 0.00 H new ATOM 0 HG23 THR A 59 -6.191 6.515 -9.241 1.00 0.00 H new ATOM 850 N SER A 60 -2.773 3.369 -7.273 1.00 0.00 N ATOM 851 CA SER A 60 -1.914 2.221 -7.014 1.00 0.00 C ATOM 852 C SER A 60 -0.837 2.603 -6.008 1.00 0.00 C ATOM 853 O SER A 60 -0.369 3.741 -5.994 1.00 0.00 O ATOM 854 CB SER A 60 -1.257 1.744 -8.309 1.00 0.00 C ATOM 855 OG SER A 60 -0.335 2.730 -8.756 1.00 0.00 O ATOM 0 H SER A 60 -2.387 4.262 -6.967 1.00 0.00 H new ATOM 0 HA SER A 60 -2.523 1.413 -6.609 1.00 0.00 H new ATOM 0 HB2 SER A 60 -0.743 0.797 -8.143 1.00 0.00 H new ATOM 0 HB3 SER A 60 -2.015 1.566 -9.071 1.00 0.00 H new ATOM 0 HG SER A 60 0.090 2.428 -9.586 1.00 0.00 H new ATOM 861 N VAL A 61 -0.449 1.655 -5.163 1.00 0.00 N ATOM 862 CA VAL A 61 0.574 1.933 -4.162 1.00 0.00 C ATOM 863 C VAL A 61 1.390 0.690 -3.844 1.00 0.00 C ATOM 864 O VAL A 61 0.866 -0.424 -3.821 1.00 0.00 O ATOM 865 CB VAL A 61 -0.073 2.445 -2.874 1.00 0.00 C ATOM 866 CG1 VAL A 61 -0.845 1.307 -2.207 1.00 0.00 C ATOM 867 CG2 VAL A 61 1.016 2.943 -1.920 1.00 0.00 C ATOM 0 H VAL A 61 -0.819 0.704 -5.149 1.00 0.00 H new ATOM 0 HA VAL A 61 1.238 2.693 -4.574 1.00 0.00 H new ATOM 0 HB VAL A 61 -0.755 3.262 -3.110 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -1.307 1.670 -1.289 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -1.619 0.946 -2.885 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -0.161 0.492 -1.971 1.00 0.00 H new ATOM 0 HG21 VAL A 61 0.556 3.308 -1.002 1.00 0.00 H new ATOM 0 HG22 VAL A 61 1.696 2.124 -1.685 1.00 0.00 H new ATOM 0 HG23 VAL A 61 1.573 3.752 -2.394 1.00 0.00 H new ATOM 877 N ASN A 62 2.670 0.899 -3.570 1.00 0.00 N ATOM 878 CA ASN A 62 3.554 -0.200 -3.217 1.00 0.00 C ATOM 879 C ASN A 62 3.811 -0.175 -1.716 1.00 0.00 C ATOM 880 O ASN A 62 4.199 0.855 -1.168 1.00 0.00 O ATOM 881 CB ASN A 62 4.886 -0.085 -3.965 1.00 0.00 C ATOM 882 CG ASN A 62 5.921 -0.997 -3.313 1.00 0.00 C ATOM 883 OD1 ASN A 62 6.434 -0.686 -2.238 1.00 0.00 O ATOM 884 ND2 ASN A 62 6.266 -2.111 -3.901 1.00 0.00 N ATOM 0 H ASN A 62 3.117 1.816 -3.585 1.00 0.00 H new ATOM 0 HA ASN A 62 3.077 -1.139 -3.499 1.00 0.00 H new ATOM 0 HB2 ASN A 62 4.752 -0.360 -5.011 1.00 0.00 H new ATOM 0 HB3 ASN A 62 5.235 0.947 -3.949 1.00 0.00 H new ATOM 0 HD21 ASN A 62 6.960 -2.722 -3.469 1.00 0.00 H new ATOM 0 HD22 ASN A 62 5.842 -2.370 -4.792 1.00 0.00 H new ATOM 891 N ILE A 63 3.594 -1.306 -1.056 1.00 0.00 N ATOM 892 CA ILE A 63 3.810 -1.386 0.381 1.00 0.00 C ATOM 893 C ILE A 63 5.159 -2.037 0.671 1.00 0.00 C ATOM 894 O ILE A 63 5.311 -3.247 0.513 1.00 0.00 O ATOM 895 CB ILE A 63 2.697 -2.208 1.024 1.00 0.00 C ATOM 896 CG1 ILE A 63 1.361 -1.867 0.353 1.00 0.00 C ATOM 897 CG2 ILE A 63 2.629 -1.880 2.516 1.00 0.00 C ATOM 898 CD1 ILE A 63 0.207 -2.247 1.284 1.00 0.00 C ATOM 0 H ILE A 63 3.272 -2.172 -1.489 1.00 0.00 H new ATOM 0 HA ILE A 63 3.803 -0.379 0.797 1.00 0.00 H new ATOM 0 HB ILE A 63 2.900 -3.271 0.897 1.00 0.00 H new ATOM 0 HG12 ILE A 63 1.320 -0.803 0.122 1.00 0.00 H new ATOM 0 HG13 ILE A 63 1.270 -2.402 -0.592 1.00 0.00 H new ATOM 0 HG21 ILE A 63 1.835 -2.464 2.981 1.00 0.00 H new ATOM 0 HG22 ILE A 63 3.582 -2.123 2.986 1.00 0.00 H new ATOM 0 HG23 ILE A 63 2.421 -0.818 2.646 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -0.742 -2.004 0.805 1.00 0.00 H new ATOM 0 HD12 ILE A 63 0.245 -3.316 1.493 1.00 0.00 H new ATOM 0 HD13 ILE A 63 0.295 -1.692 2.218 1.00 0.00 H new ATOM 910 N PRO A 64 6.137 -1.270 1.082 1.00 0.00 N ATOM 911 CA PRO A 64 7.487 -1.794 1.384 1.00 0.00 C ATOM 912 C PRO A 64 7.617 -2.274 2.823 1.00 0.00 C ATOM 913 O PRO A 64 6.675 -2.200 3.613 1.00 0.00 O ATOM 914 CB PRO A 64 8.385 -0.587 1.137 1.00 0.00 C ATOM 915 CG PRO A 64 7.544 0.602 1.475 1.00 0.00 C ATOM 916 CD PRO A 64 6.077 0.182 1.310 1.00 0.00 C ATOM 0 HA PRO A 64 7.737 -2.664 0.777 1.00 0.00 H new ATOM 0 HB2 PRO A 64 9.279 -0.627 1.760 1.00 0.00 H new ATOM 0 HB3 PRO A 64 8.720 -0.551 0.100 1.00 0.00 H new ATOM 0 HG2 PRO A 64 7.737 0.932 2.496 1.00 0.00 H new ATOM 0 HG3 PRO A 64 7.781 1.440 0.819 1.00 0.00 H new ATOM 0 HD2 PRO A 64 5.493 0.421 2.198 1.00 0.00 H new ATOM 0 HD3 PRO A 64 5.608 0.697 0.472 1.00 0.00 H new ATOM 924 N ASP A 65 8.802 -2.762 3.144 1.00 0.00 N ATOM 925 CA ASP A 65 9.099 -3.261 4.481 1.00 0.00 C ATOM 926 C ASP A 65 8.154 -4.389 4.873 1.00 0.00 C ATOM 927 O ASP A 65 7.750 -4.496 6.030 1.00 0.00 O ATOM 928 CB ASP A 65 8.989 -2.126 5.499 1.00 0.00 C ATOM 929 CG ASP A 65 10.079 -1.092 5.242 1.00 0.00 C ATOM 930 OD1 ASP A 65 11.008 -1.409 4.518 1.00 0.00 O ATOM 931 OD2 ASP A 65 9.968 0.001 5.773 1.00 0.00 O ATOM 0 H ASP A 65 9.584 -2.825 2.492 1.00 0.00 H new ATOM 0 HA ASP A 65 10.117 -3.652 4.474 1.00 0.00 H new ATOM 0 HB2 ASP A 65 8.007 -1.657 5.430 1.00 0.00 H new ATOM 0 HB3 ASP A 65 9.082 -2.522 6.510 1.00 0.00 H new ATOM 936 N LEU A 66 7.832 -5.246 3.912 1.00 0.00 N ATOM 937 CA LEU A 66 6.960 -6.381 4.184 1.00 0.00 C ATOM 938 C LEU A 66 7.796 -7.563 4.663 1.00 0.00 C ATOM 939 O LEU A 66 8.963 -7.692 4.294 1.00 0.00 O ATOM 940 CB LEU A 66 6.170 -6.769 2.933 1.00 0.00 C ATOM 941 CG LEU A 66 5.295 -5.594 2.480 1.00 0.00 C ATOM 942 CD1 LEU A 66 4.314 -6.077 1.413 1.00 0.00 C ATOM 943 CD2 LEU A 66 4.504 -5.047 3.673 1.00 0.00 C ATOM 0 H LEU A 66 8.157 -5.178 2.948 1.00 0.00 H new ATOM 0 HA LEU A 66 6.250 -6.100 4.962 1.00 0.00 H new ATOM 0 HB2 LEU A 66 6.855 -7.052 2.134 1.00 0.00 H new ATOM 0 HB3 LEU A 66 5.546 -7.638 3.142 1.00 0.00 H new ATOM 0 HG LEU A 66 5.932 -4.808 2.073 1.00 0.00 H new ATOM 0 HD11 LEU A 66 3.690 -5.244 1.089 1.00 0.00 H new ATOM 0 HD12 LEU A 66 4.868 -6.469 0.560 1.00 0.00 H new ATOM 0 HD13 LEU A 66 3.683 -6.863 1.828 1.00 0.00 H new ATOM 0 HD21 LEU A 66 3.884 -4.212 3.346 1.00 0.00 H new ATOM 0 HD22 LEU A 66 3.869 -5.834 4.080 1.00 0.00 H new ATOM 0 HD23 LEU A 66 5.196 -4.705 4.443 1.00 0.00 H new ATOM 955 N LEU A 67 7.204 -8.410 5.496 1.00 0.00 N ATOM 956 CA LEU A 67 7.914 -9.563 6.032 1.00 0.00 C ATOM 957 C LEU A 67 7.661 -10.809 5.183 1.00 0.00 C ATOM 958 O LEU A 67 6.559 -11.360 5.199 1.00 0.00 O ATOM 959 CB LEU A 67 7.438 -9.825 7.458 1.00 0.00 C ATOM 960 CG LEU A 67 8.011 -8.758 8.392 1.00 0.00 C ATOM 961 CD1 LEU A 67 7.179 -8.701 9.675 1.00 0.00 C ATOM 962 CD2 LEU A 67 9.460 -9.106 8.740 1.00 0.00 C ATOM 0 H LEU A 67 6.239 -8.321 5.813 1.00 0.00 H new ATOM 0 HA LEU A 67 8.982 -9.347 6.020 1.00 0.00 H new ATOM 0 HB2 LEU A 67 6.349 -9.811 7.497 1.00 0.00 H new ATOM 0 HB3 LEU A 67 7.756 -10.816 7.782 1.00 0.00 H new ATOM 0 HG LEU A 67 7.980 -7.788 7.895 1.00 0.00 H new ATOM 0 HD11 LEU A 67 7.588 -7.940 10.340 1.00 0.00 H new ATOM 0 HD12 LEU A 67 6.147 -8.451 9.429 1.00 0.00 H new ATOM 0 HD13 LEU A 67 7.209 -9.671 10.171 1.00 0.00 H new ATOM 0 HD21 LEU A 67 9.867 -8.345 9.406 1.00 0.00 H new ATOM 0 HD22 LEU A 67 9.492 -10.076 9.236 1.00 0.00 H new ATOM 0 HD23 LEU A 67 10.054 -9.145 7.827 1.00 0.00 H new ATOM 974 N PRO A 68 8.649 -11.272 4.454 1.00 0.00 N ATOM 975 CA PRO A 68 8.505 -12.487 3.604 1.00 0.00 C ATOM 976 C PRO A 68 8.014 -13.686 4.414 1.00 0.00 C ATOM 977 O PRO A 68 8.444 -13.896 5.547 1.00 0.00 O ATOM 978 CB PRO A 68 9.915 -12.747 3.064 1.00 0.00 C ATOM 979 CG PRO A 68 10.678 -11.476 3.242 1.00 0.00 C ATOM 980 CD PRO A 68 9.997 -10.687 4.360 1.00 0.00 C ATOM 0 HA PRO A 68 7.770 -12.340 2.813 1.00 0.00 H new ATOM 0 HB2 PRO A 68 10.392 -13.565 3.604 1.00 0.00 H new ATOM 0 HB3 PRO A 68 9.881 -13.035 2.013 1.00 0.00 H new ATOM 0 HG2 PRO A 68 11.717 -11.685 3.497 1.00 0.00 H new ATOM 0 HG3 PRO A 68 10.687 -10.901 2.316 1.00 0.00 H new ATOM 0 HD2 PRO A 68 10.538 -10.784 5.301 1.00 0.00 H new ATOM 0 HD3 PRO A 68 9.953 -9.623 4.126 1.00 0.00 H new ATOM 988 N GLY A 69 7.115 -14.467 3.826 1.00 0.00 N ATOM 989 CA GLY A 69 6.577 -15.640 4.507 1.00 0.00 C ATOM 990 C GLY A 69 5.404 -15.260 5.403 1.00 0.00 C ATOM 991 O GLY A 69 4.999 -16.030 6.273 1.00 0.00 O ATOM 0 H GLY A 69 6.746 -14.312 2.888 1.00 0.00 H new ATOM 0 HA2 GLY A 69 6.254 -16.376 3.771 1.00 0.00 H new ATOM 0 HA3 GLY A 69 7.359 -16.109 5.104 1.00 0.00 H new ATOM 995 N ARG A 70 4.861 -14.067 5.184 1.00 0.00 N ATOM 996 CA ARG A 70 3.734 -13.594 5.981 1.00 0.00 C ATOM 997 C ARG A 70 2.573 -13.193 5.081 1.00 0.00 C ATOM 998 O ARG A 70 2.778 -12.643 3.998 1.00 0.00 O ATOM 999 CB ARG A 70 4.164 -12.391 6.822 1.00 0.00 C ATOM 1000 CG ARG A 70 5.273 -12.806 7.787 1.00 0.00 C ATOM 1001 CD ARG A 70 4.651 -13.447 9.027 1.00 0.00 C ATOM 1002 NE ARG A 70 4.486 -12.455 10.085 1.00 0.00 N ATOM 1003 CZ ARG A 70 5.532 -11.805 10.588 1.00 0.00 C ATOM 1004 NH1 ARG A 70 6.729 -12.049 10.135 1.00 0.00 N ATOM 1005 NH2 ARG A 70 5.360 -10.925 11.534 1.00 0.00 N ATOM 0 H ARG A 70 5.179 -13.414 4.468 1.00 0.00 H new ATOM 0 HA ARG A 70 3.410 -14.403 6.636 1.00 0.00 H new ATOM 0 HB2 ARG A 70 4.515 -11.589 6.173 1.00 0.00 H new ATOM 0 HB3 ARG A 70 3.312 -12.001 7.379 1.00 0.00 H new ATOM 0 HG2 ARG A 70 5.949 -13.509 7.301 1.00 0.00 H new ATOM 0 HG3 ARG A 70 5.867 -11.937 8.072 1.00 0.00 H new ATOM 0 HD2 ARG A 70 3.684 -13.881 8.773 1.00 0.00 H new ATOM 0 HD3 ARG A 70 5.284 -14.262 9.379 1.00 0.00 H new ATOM 0 HE ARG A 70 3.552 -12.257 10.445 1.00 0.00 H new ATOM 0 HH11 ARG A 70 6.864 -12.738 9.395 1.00 0.00 H new ATOM 0 HH12 ARG A 70 7.531 -11.551 10.520 1.00 0.00 H new ATOM 0 HH21 ARG A 70 4.423 -10.734 11.889 1.00 0.00 H new ATOM 0 HH22 ARG A 70 6.162 -10.427 11.919 1.00 0.00 H new ATOM 1019 N LYS A 71 1.350 -13.455 5.535 1.00 0.00 N ATOM 1020 CA LYS A 71 0.176 -13.095 4.760 1.00 0.00 C ATOM 1021 C LYS A 71 -0.435 -11.814 5.308 1.00 0.00 C ATOM 1022 O LYS A 71 -0.636 -11.675 6.515 1.00 0.00 O ATOM 1023 CB LYS A 71 -0.859 -14.219 4.801 1.00 0.00 C ATOM 1024 CG LYS A 71 -1.944 -13.941 3.756 1.00 0.00 C ATOM 1025 CD LYS A 71 -3.015 -15.031 3.820 1.00 0.00 C ATOM 1026 CE LYS A 71 -3.941 -14.905 2.609 1.00 0.00 C ATOM 1027 NZ LYS A 71 -4.639 -16.201 2.380 1.00 0.00 N ATOM 0 H LYS A 71 1.152 -13.910 6.426 1.00 0.00 H new ATOM 0 HA LYS A 71 0.480 -12.936 3.725 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -0.381 -15.178 4.600 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -1.302 -14.286 5.795 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -2.394 -12.965 3.936 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -1.503 -13.909 2.760 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -2.547 -16.015 3.833 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -3.589 -14.938 4.742 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -4.670 -14.112 2.776 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -3.366 -14.628 1.725 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -5.269 -16.115 1.557 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -3.936 -16.947 2.203 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -5.200 -16.447 3.221 1.00 0.00 H new ATOM 1041 N TYR A 72 -0.730 -10.884 4.416 1.00 0.00 N ATOM 1042 CA TYR A 72 -1.322 -9.615 4.817 1.00 0.00 C ATOM 1043 C TYR A 72 -2.683 -9.420 4.163 1.00 0.00 C ATOM 1044 O TYR A 72 -2.923 -9.884 3.049 1.00 0.00 O ATOM 1045 CB TYR A 72 -0.442 -8.445 4.382 1.00 0.00 C ATOM 1046 CG TYR A 72 0.899 -8.476 5.072 1.00 0.00 C ATOM 1047 CD1 TYR A 72 1.917 -9.309 4.593 1.00 0.00 C ATOM 1048 CD2 TYR A 72 1.130 -7.652 6.179 1.00 0.00 C ATOM 1049 CE1 TYR A 72 3.166 -9.317 5.227 1.00 0.00 C ATOM 1050 CE2 TYR A 72 2.378 -7.657 6.809 1.00 0.00 C ATOM 1051 CZ TYR A 72 3.397 -8.491 6.334 1.00 0.00 C ATOM 1052 OH TYR A 72 4.629 -8.493 6.954 1.00 0.00 O ATOM 0 H TYR A 72 -0.571 -10.981 3.413 1.00 0.00 H new ATOM 0 HA TYR A 72 -1.419 -9.640 5.902 1.00 0.00 H new ATOM 0 HB2 TYR A 72 -0.298 -8.479 3.302 1.00 0.00 H new ATOM 0 HB3 TYR A 72 -0.947 -7.505 4.607 1.00 0.00 H new ATOM 0 HD1 TYR A 72 1.740 -9.944 3.737 1.00 0.00 H new ATOM 0 HD2 TYR A 72 0.343 -7.011 6.547 1.00 0.00 H new ATOM 0 HE1 TYR A 72 3.952 -9.961 4.862 1.00 0.00 H new ATOM 0 HE2 TYR A 72 2.556 -7.018 7.661 1.00 0.00 H new ATOM 0 HH TYR A 72 4.619 -7.862 7.704 1.00 0.00 H new ATOM 1062 N ILE A 73 -3.546 -8.678 4.840 1.00 0.00 N ATOM 1063 CA ILE A 73 -4.857 -8.359 4.298 1.00 0.00 C ATOM 1064 C ILE A 73 -4.843 -6.889 3.929 1.00 0.00 C ATOM 1065 O ILE A 73 -4.400 -6.058 4.714 1.00 0.00 O ATOM 1066 CB ILE A 73 -5.953 -8.635 5.324 1.00 0.00 C ATOM 1067 CG1 ILE A 73 -5.856 -10.090 5.778 1.00 0.00 C ATOM 1068 CG2 ILE A 73 -7.322 -8.393 4.681 1.00 0.00 C ATOM 1069 CD1 ILE A 73 -6.824 -10.328 6.935 1.00 0.00 C ATOM 0 H ILE A 73 -3.362 -8.286 5.764 1.00 0.00 H new ATOM 0 HA ILE A 73 -5.067 -8.979 3.426 1.00 0.00 H new ATOM 0 HB ILE A 73 -5.832 -7.973 6.181 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -6.092 -10.757 4.949 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -4.837 -10.318 6.090 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -8.107 -8.589 5.411 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -7.389 -7.358 4.346 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -7.446 -9.059 3.827 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -6.755 -11.366 7.259 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -6.567 -9.671 7.766 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -7.842 -10.117 6.607 1.00 0.00 H new ATOM 1081 N VAL A 74 -5.290 -6.568 2.730 1.00 0.00 N ATOM 1082 CA VAL A 74 -5.271 -5.182 2.292 1.00 0.00 C ATOM 1083 C VAL A 74 -6.667 -4.671 1.972 1.00 0.00 C ATOM 1084 O VAL A 74 -7.448 -5.332 1.287 1.00 0.00 O ATOM 1085 CB VAL A 74 -4.374 -5.044 1.064 1.00 0.00 C ATOM 1086 CG1 VAL A 74 -4.250 -3.565 0.687 1.00 0.00 C ATOM 1087 CG2 VAL A 74 -2.986 -5.610 1.383 1.00 0.00 C ATOM 0 H VAL A 74 -5.664 -7.232 2.052 1.00 0.00 H new ATOM 0 HA VAL A 74 -4.877 -4.578 3.109 1.00 0.00 H new ATOM 0 HB VAL A 74 -4.809 -5.595 0.230 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -3.610 -3.465 -0.190 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -5.238 -3.163 0.462 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -3.814 -3.013 1.519 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -2.343 -5.513 0.508 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -2.551 -5.058 2.216 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -3.075 -6.662 1.652 1.00 0.00 H new ATOM 1097 N ASN A 75 -6.960 -3.476 2.467 1.00 0.00 N ATOM 1098 CA ASN A 75 -8.251 -2.851 2.234 1.00 0.00 C ATOM 1099 C ASN A 75 -8.045 -1.403 1.809 1.00 0.00 C ATOM 1100 O ASN A 75 -7.370 -0.637 2.498 1.00 0.00 O ATOM 1101 CB ASN A 75 -9.085 -2.897 3.514 1.00 0.00 C ATOM 1102 CG ASN A 75 -9.093 -4.311 4.076 1.00 0.00 C ATOM 1103 OD1 ASN A 75 -9.901 -5.144 3.662 1.00 0.00 O ATOM 1104 ND2 ASN A 75 -8.229 -4.635 4.998 1.00 0.00 N ATOM 0 H ASN A 75 -6.319 -2.921 3.033 1.00 0.00 H new ATOM 0 HA ASN A 75 -8.776 -3.390 1.445 1.00 0.00 H new ATOM 0 HB2 ASN A 75 -8.675 -2.206 4.251 1.00 0.00 H new ATOM 0 HB3 ASN A 75 -10.105 -2.573 3.306 1.00 0.00 H new ATOM 0 HD21 ASN A 75 -8.220 -5.581 5.379 1.00 0.00 H new ATOM 0 HD22 ASN A 75 -7.562 -3.942 5.338 1.00 0.00 H new ATOM 1111 N VAL A 76 -8.617 -1.032 0.672 1.00 0.00 N ATOM 1112 CA VAL A 76 -8.466 0.331 0.179 1.00 0.00 C ATOM 1113 C VAL A 76 -9.738 1.133 0.412 1.00 0.00 C ATOM 1114 O VAL A 76 -10.832 0.707 0.043 1.00 0.00 O ATOM 1115 CB VAL A 76 -8.148 0.311 -1.316 1.00 0.00 C ATOM 1116 CG1 VAL A 76 -7.776 1.721 -1.780 1.00 0.00 C ATOM 1117 CG2 VAL A 76 -6.976 -0.637 -1.574 1.00 0.00 C ATOM 0 H VAL A 76 -9.181 -1.643 0.082 1.00 0.00 H new ATOM 0 HA VAL A 76 -7.648 0.802 0.723 1.00 0.00 H new ATOM 0 HB VAL A 76 -9.023 -0.032 -1.868 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -7.549 1.705 -2.846 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -8.611 2.397 -1.596 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -6.902 2.067 -1.228 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -6.748 -0.652 -2.640 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -6.102 -0.294 -1.021 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -7.242 -1.642 -1.245 1.00 0.00 H new ATOM 1127 N TYR A 77 -9.583 2.304 1.016 1.00 0.00 N ATOM 1128 CA TYR A 77 -10.715 3.173 1.286 1.00 0.00 C ATOM 1129 C TYR A 77 -10.525 4.497 0.560 1.00 0.00 C ATOM 1130 O TYR A 77 -9.424 5.043 0.538 1.00 0.00 O ATOM 1131 CB TYR A 77 -10.819 3.444 2.790 1.00 0.00 C ATOM 1132 CG TYR A 77 -10.981 2.147 3.545 1.00 0.00 C ATOM 1133 CD1 TYR A 77 -12.247 1.569 3.678 1.00 0.00 C ATOM 1134 CD2 TYR A 77 -9.864 1.528 4.121 1.00 0.00 C ATOM 1135 CE1 TYR A 77 -12.400 0.373 4.388 1.00 0.00 C ATOM 1136 CE2 TYR A 77 -10.016 0.332 4.832 1.00 0.00 C ATOM 1137 CZ TYR A 77 -11.285 -0.246 4.965 1.00 0.00 C ATOM 1138 OH TYR A 77 -11.435 -1.426 5.665 1.00 0.00 O ATOM 0 H TYR A 77 -8.684 2.672 1.327 1.00 0.00 H new ATOM 0 HA TYR A 77 -11.626 2.685 0.939 1.00 0.00 H new ATOM 0 HB2 TYR A 77 -9.926 3.965 3.135 1.00 0.00 H new ATOM 0 HB3 TYR A 77 -11.667 4.098 2.991 1.00 0.00 H new ATOM 0 HD1 TYR A 77 -13.107 2.046 3.232 1.00 0.00 H new ATOM 0 HD2 TYR A 77 -8.886 1.974 4.016 1.00 0.00 H new ATOM 0 HE1 TYR A 77 -13.378 -0.073 4.491 1.00 0.00 H new ATOM 0 HE2 TYR A 77 -9.156 -0.145 5.278 1.00 0.00 H new ATOM 0 HH TYR A 77 -10.562 -1.722 5.999 1.00 0.00 H new ATOM 1148 N GLN A 78 -11.594 5.021 -0.018 1.00 0.00 N ATOM 1149 CA GLN A 78 -11.496 6.297 -0.714 1.00 0.00 C ATOM 1150 C GLN A 78 -12.136 7.374 0.148 1.00 0.00 C ATOM 1151 O GLN A 78 -13.196 7.157 0.734 1.00 0.00 O ATOM 1152 CB GLN A 78 -12.208 6.233 -2.068 1.00 0.00 C ATOM 1153 CG GLN A 78 -13.687 6.585 -1.889 1.00 0.00 C ATOM 1154 CD GLN A 78 -14.483 6.182 -3.126 1.00 0.00 C ATOM 1155 OE1 GLN A 78 -15.694 6.397 -3.180 1.00 0.00 O ATOM 1156 NE2 GLN A 78 -13.877 5.606 -4.128 1.00 0.00 N ATOM 0 H GLN A 78 -12.521 4.595 -0.021 1.00 0.00 H new ATOM 0 HA GLN A 78 -10.445 6.528 -0.891 1.00 0.00 H new ATOM 0 HB2 GLN A 78 -11.741 6.926 -2.768 1.00 0.00 H new ATOM 0 HB3 GLN A 78 -12.111 5.235 -2.494 1.00 0.00 H new ATOM 0 HG2 GLN A 78 -14.085 6.076 -1.011 1.00 0.00 H new ATOM 0 HG3 GLN A 78 -13.794 7.655 -1.713 1.00 0.00 H new ATOM 0 HE21 GLN A 78 -12.874 5.428 -4.083 1.00 0.00 H new ATOM 0 HE22 GLN A 78 -14.407 5.334 -4.956 1.00 0.00 H new ATOM 1165 N ILE A 79 -11.493 8.527 0.235 1.00 0.00 N ATOM 1166 CA ILE A 79 -12.023 9.608 1.047 1.00 0.00 C ATOM 1167 C ILE A 79 -12.734 10.625 0.174 1.00 0.00 C ATOM 1168 O ILE A 79 -12.147 11.199 -0.744 1.00 0.00 O ATOM 1169 CB ILE A 79 -10.886 10.282 1.808 1.00 0.00 C ATOM 1170 CG1 ILE A 79 -10.115 9.216 2.582 1.00 0.00 C ATOM 1171 CG2 ILE A 79 -11.461 11.308 2.786 1.00 0.00 C ATOM 1172 CD1 ILE A 79 -8.921 9.855 3.293 1.00 0.00 C ATOM 0 H ILE A 79 -10.615 8.736 -0.240 1.00 0.00 H new ATOM 0 HA ILE A 79 -12.740 9.197 1.757 1.00 0.00 H new ATOM 0 HB ILE A 79 -10.221 10.789 1.109 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -10.770 8.737 3.310 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -9.771 8.437 1.902 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -10.647 11.789 3.329 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -12.024 12.061 2.234 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -12.122 10.806 3.493 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -8.374 9.090 3.844 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -8.261 10.313 2.556 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -9.276 10.618 3.986 1.00 0.00 H new ATOM 1184 N SER A 80 -14.005 10.837 0.469 1.00 0.00 N ATOM 1185 CA SER A 80 -14.806 11.779 -0.285 1.00 0.00 C ATOM 1186 C SER A 80 -14.577 13.198 0.216 1.00 0.00 C ATOM 1187 O SER A 80 -13.973 13.410 1.268 1.00 0.00 O ATOM 1188 CB SER A 80 -16.280 11.408 -0.165 1.00 0.00 C ATOM 1189 OG SER A 80 -16.719 11.643 1.163 1.00 0.00 O ATOM 0 H SER A 80 -14.502 10.368 1.226 1.00 0.00 H new ATOM 0 HA SER A 80 -14.509 11.736 -1.333 1.00 0.00 H new ATOM 0 HB2 SER A 80 -16.873 11.997 -0.865 1.00 0.00 H new ATOM 0 HB3 SER A 80 -16.425 10.360 -0.427 1.00 0.00 H new ATOM 0 HG SER A 80 -16.158 12.332 1.576 1.00 0.00 H new ATOM 1195 N GLU A 81 -15.054 14.164 -0.553 1.00 0.00 N ATOM 1196 CA GLU A 81 -14.893 15.567 -0.200 1.00 0.00 C ATOM 1197 C GLU A 81 -15.495 15.865 1.170 1.00 0.00 C ATOM 1198 O GLU A 81 -15.158 16.870 1.796 1.00 0.00 O ATOM 1199 CB GLU A 81 -15.559 16.442 -1.264 1.00 0.00 C ATOM 1200 CG GLU A 81 -14.766 16.347 -2.569 1.00 0.00 C ATOM 1201 CD GLU A 81 -15.384 17.261 -3.621 1.00 0.00 C ATOM 1202 OE1 GLU A 81 -16.452 17.791 -3.362 1.00 0.00 O ATOM 1203 OE2 GLU A 81 -14.780 17.419 -4.669 1.00 0.00 O ATOM 0 H GLU A 81 -15.556 14.003 -1.426 1.00 0.00 H new ATOM 0 HA GLU A 81 -13.827 15.790 -0.155 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -16.587 16.118 -1.426 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -15.601 17.477 -0.925 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -13.728 16.629 -2.395 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -14.761 15.318 -2.927 1.00 0.00 H new ATOM 1210 N ASP A 82 -16.391 14.995 1.632 1.00 0.00 N ATOM 1211 CA ASP A 82 -17.028 15.200 2.929 1.00 0.00 C ATOM 1212 C ASP A 82 -16.256 14.491 4.042 1.00 0.00 C ATOM 1213 O ASP A 82 -16.640 14.556 5.209 1.00 0.00 O ATOM 1214 CB ASP A 82 -18.460 14.667 2.891 1.00 0.00 C ATOM 1215 CG ASP A 82 -18.437 13.151 2.764 1.00 0.00 C ATOM 1216 OD1 ASP A 82 -17.393 12.574 3.022 1.00 0.00 O ATOM 1217 OD2 ASP A 82 -19.459 12.588 2.409 1.00 0.00 O ATOM 0 H ASP A 82 -16.688 14.155 1.136 1.00 0.00 H new ATOM 0 HA ASP A 82 -17.033 16.270 3.137 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -18.991 14.958 3.797 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -18.999 15.104 2.051 1.00 0.00 H new ATOM 1222 N GLY A 83 -15.165 13.822 3.679 1.00 0.00 N ATOM 1223 CA GLY A 83 -14.351 13.118 4.667 1.00 0.00 C ATOM 1224 C GLY A 83 -14.850 11.693 4.912 1.00 0.00 C ATOM 1225 O GLY A 83 -14.383 11.017 5.829 1.00 0.00 O ATOM 0 H GLY A 83 -14.826 13.752 2.719 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -13.316 13.086 4.327 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -14.361 13.672 5.606 1.00 0.00 H new ATOM 1229 N GLU A 84 -15.790 11.237 4.093 1.00 0.00 N ATOM 1230 CA GLU A 84 -16.325 9.886 4.245 1.00 0.00 C ATOM 1231 C GLU A 84 -15.418 8.857 3.572 1.00 0.00 C ATOM 1232 O GLU A 84 -14.835 9.122 2.520 1.00 0.00 O ATOM 1233 CB GLU A 84 -17.730 9.804 3.645 1.00 0.00 C ATOM 1234 CG GLU A 84 -18.721 10.550 4.547 1.00 0.00 C ATOM 1235 CD GLU A 84 -18.805 9.867 5.908 1.00 0.00 C ATOM 1236 OE1 GLU A 84 -18.365 8.734 6.008 1.00 0.00 O ATOM 1237 OE2 GLU A 84 -19.312 10.487 6.829 1.00 0.00 O ATOM 0 H GLU A 84 -16.195 11.773 3.326 1.00 0.00 H new ATOM 0 HA GLU A 84 -16.372 9.661 5.311 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -17.735 10.238 2.645 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -18.031 8.762 3.541 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -18.405 11.586 4.670 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -19.706 10.571 4.080 1.00 0.00 H new ATOM 1244 N GLN A 85 -15.309 7.680 4.184 1.00 0.00 N ATOM 1245 CA GLN A 85 -14.477 6.614 3.633 1.00 0.00 C ATOM 1246 C GLN A 85 -15.344 5.480 3.098 1.00 0.00 C ATOM 1247 O GLN A 85 -16.369 5.138 3.688 1.00 0.00 O ATOM 1248 CB GLN A 85 -13.535 6.066 4.710 1.00 0.00 C ATOM 1249 CG GLN A 85 -12.338 7.001 4.872 1.00 0.00 C ATOM 1250 CD GLN A 85 -11.116 6.398 4.186 1.00 0.00 C ATOM 1251 OE1 GLN A 85 -10.291 5.758 4.838 1.00 0.00 O ATOM 1252 NE2 GLN A 85 -10.954 6.559 2.902 1.00 0.00 N ATOM 0 H GLN A 85 -15.783 7.442 5.055 1.00 0.00 H new ATOM 0 HA GLN A 85 -13.890 7.031 2.815 1.00 0.00 H new ATOM 0 HB2 GLN A 85 -14.066 5.972 5.657 1.00 0.00 H new ATOM 0 HB3 GLN A 85 -13.194 5.068 4.435 1.00 0.00 H new ATOM 0 HG2 GLN A 85 -12.565 7.976 4.440 1.00 0.00 H new ATOM 0 HG3 GLN A 85 -12.131 7.161 5.930 1.00 0.00 H new ATOM 0 HE21 GLN A 85 -11.639 7.090 2.364 1.00 0.00 H new ATOM 0 HE22 GLN A 85 -10.142 6.154 2.436 1.00 0.00 H new ATOM 1261 N SER A 86 -14.927 4.898 1.978 1.00 0.00 N ATOM 1262 CA SER A 86 -15.675 3.801 1.379 1.00 0.00 C ATOM 1263 C SER A 86 -14.729 2.715 0.887 1.00 0.00 C ATOM 1264 O SER A 86 -13.730 3.003 0.229 1.00 0.00 O ATOM 1265 CB SER A 86 -16.508 4.316 0.207 1.00 0.00 C ATOM 1266 OG SER A 86 -17.365 3.278 -0.249 1.00 0.00 O ATOM 0 H SER A 86 -14.083 5.165 1.472 1.00 0.00 H new ATOM 0 HA SER A 86 -16.334 3.380 2.138 1.00 0.00 H new ATOM 0 HB2 SER A 86 -17.096 5.180 0.515 1.00 0.00 H new ATOM 0 HB3 SER A 86 -15.855 4.646 -0.601 1.00 0.00 H new ATOM 0 HG SER A 86 -17.903 3.604 -1.000 1.00 0.00 H new ATOM 1272 N LEU A 87 -15.053 1.465 1.197 1.00 0.00 N ATOM 1273 CA LEU A 87 -14.218 0.352 0.764 1.00 0.00 C ATOM 1274 C LEU A 87 -14.399 0.117 -0.732 1.00 0.00 C ATOM 1275 O LEU A 87 -15.500 -0.179 -1.193 1.00 0.00 O ATOM 1276 CB LEU A 87 -14.597 -0.918 1.527 1.00 0.00 C ATOM 1277 CG LEU A 87 -13.636 -2.048 1.155 1.00 0.00 C ATOM 1278 CD1 LEU A 87 -12.282 -1.813 1.823 1.00 0.00 C ATOM 1279 CD2 LEU A 87 -14.212 -3.383 1.635 1.00 0.00 C ATOM 0 H LEU A 87 -15.876 1.199 1.739 1.00 0.00 H new ATOM 0 HA LEU A 87 -13.176 0.597 0.969 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -14.559 -0.734 2.601 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -15.621 -1.205 1.289 1.00 0.00 H new ATOM 0 HG LEU A 87 -13.507 -2.071 0.073 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -11.600 -2.620 1.556 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -11.870 -0.862 1.485 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -12.410 -1.789 2.905 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -13.529 -4.190 1.371 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -14.341 -3.356 2.717 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -15.177 -3.555 1.159 1.00 0.00 H new ATOM 1291 N ILE A 88 -13.317 0.260 -1.485 1.00 0.00 N ATOM 1292 CA ILE A 88 -13.384 0.068 -2.927 1.00 0.00 C ATOM 1293 C ILE A 88 -12.654 -1.203 -3.349 1.00 0.00 C ATOM 1294 O ILE A 88 -12.937 -1.761 -4.409 1.00 0.00 O ATOM 1295 CB ILE A 88 -12.771 1.278 -3.637 1.00 0.00 C ATOM 1296 CG1 ILE A 88 -11.293 1.394 -3.259 1.00 0.00 C ATOM 1297 CG2 ILE A 88 -13.505 2.551 -3.214 1.00 0.00 C ATOM 1298 CD1 ILE A 88 -10.648 2.520 -4.069 1.00 0.00 C ATOM 0 H ILE A 88 -12.394 0.505 -1.127 1.00 0.00 H new ATOM 0 HA ILE A 88 -14.432 -0.033 -3.210 1.00 0.00 H new ATOM 0 HB ILE A 88 -12.865 1.149 -4.715 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -11.194 1.596 -2.192 1.00 0.00 H new ATOM 0 HG13 ILE A 88 -10.781 0.452 -3.454 1.00 0.00 H new ATOM 0 HG21 ILE A 88 -13.066 3.410 -3.721 1.00 0.00 H new ATOM 0 HG22 ILE A 88 -14.558 2.470 -3.483 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -13.415 2.682 -2.136 1.00 0.00 H new ATOM 0 HD11 ILE A 88 -9.595 2.604 -3.801 1.00 0.00 H new ATOM 0 HD12 ILE A 88 -10.735 2.299 -5.133 1.00 0.00 H new ATOM 0 HD13 ILE A 88 -11.154 3.461 -3.851 1.00 0.00 H new ATOM 1310 N LEU A 89 -11.714 -1.658 -2.526 1.00 0.00 N ATOM 1311 CA LEU A 89 -10.968 -2.868 -2.865 1.00 0.00 C ATOM 1312 C LEU A 89 -10.373 -3.541 -1.631 1.00 0.00 C ATOM 1313 O LEU A 89 -9.646 -2.917 -0.858 1.00 0.00 O ATOM 1314 CB LEU A 89 -9.845 -2.534 -3.845 1.00 0.00 C ATOM 1315 CG LEU A 89 -9.168 -3.830 -4.299 1.00 0.00 C ATOM 1316 CD1 LEU A 89 -10.138 -4.631 -5.169 1.00 0.00 C ATOM 1317 CD2 LEU A 89 -7.915 -3.494 -5.109 1.00 0.00 C ATOM 0 H LEU A 89 -11.454 -1.222 -1.641 1.00 0.00 H new ATOM 0 HA LEU A 89 -11.673 -3.563 -3.322 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -10.245 -1.998 -4.706 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -9.116 -1.876 -3.371 1.00 0.00 H new ATOM 0 HG LEU A 89 -8.888 -4.420 -3.426 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -9.658 -5.554 -5.494 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -11.032 -4.870 -4.592 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -10.416 -4.041 -6.042 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -7.433 -4.416 -5.432 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -8.194 -2.905 -5.983 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -7.224 -2.921 -4.490 1.00 0.00 H new ATOM 1329 N SER A 90 -10.668 -4.829 -1.475 1.00 0.00 N ATOM 1330 CA SER A 90 -10.142 -5.606 -0.358 1.00 0.00 C ATOM 1331 C SER A 90 -9.589 -6.931 -0.875 1.00 0.00 C ATOM 1332 O SER A 90 -10.309 -7.699 -1.513 1.00 0.00 O ATOM 1333 CB SER A 90 -11.248 -5.870 0.666 1.00 0.00 C ATOM 1334 OG SER A 90 -10.689 -6.511 1.807 1.00 0.00 O ATOM 0 H SER A 90 -11.269 -5.356 -2.109 1.00 0.00 H new ATOM 0 HA SER A 90 -9.343 -5.043 0.124 1.00 0.00 H new ATOM 0 HB2 SER A 90 -11.722 -4.932 0.957 1.00 0.00 H new ATOM 0 HB3 SER A 90 -12.024 -6.496 0.227 1.00 0.00 H new ATOM 0 HG SER A 90 -10.684 -5.887 2.563 1.00 0.00 H new ATOM 1340 N THR A 91 -8.311 -7.193 -0.615 1.00 0.00 N ATOM 1341 CA THR A 91 -7.694 -8.433 -1.083 1.00 0.00 C ATOM 1342 C THR A 91 -6.544 -8.856 -0.174 1.00 0.00 C ATOM 1343 O THR A 91 -5.990 -8.042 0.560 1.00 0.00 O ATOM 1344 CB THR A 91 -7.174 -8.248 -2.511 1.00 0.00 C ATOM 1345 OG1 THR A 91 -6.926 -9.520 -3.092 1.00 0.00 O ATOM 1346 CG2 THR A 91 -5.878 -7.439 -2.484 1.00 0.00 C ATOM 0 H THR A 91 -7.690 -6.576 -0.092 1.00 0.00 H new ATOM 0 HA THR A 91 -8.453 -9.215 -1.064 1.00 0.00 H new ATOM 0 HB THR A 91 -7.920 -7.716 -3.102 1.00 0.00 H new ATOM 0 HG1 THR A 91 -6.595 -9.403 -4.007 1.00 0.00 H new ATOM 0 HG21 THR A 91 -5.509 -7.308 -3.501 1.00 0.00 H new ATOM 0 HG22 THR A 91 -6.068 -6.462 -2.039 1.00 0.00 H new ATOM 0 HG23 THR A 91 -5.131 -7.968 -1.893 1.00 0.00 H new ATOM 1354 N SER A 92 -6.185 -10.134 -0.241 1.00 0.00 N ATOM 1355 CA SER A 92 -5.090 -10.656 0.572 1.00 0.00 C ATOM 1356 C SER A 92 -4.009 -11.257 -0.320 1.00 0.00 C ATOM 1357 O SER A 92 -4.287 -11.721 -1.427 1.00 0.00 O ATOM 1358 CB SER A 92 -5.609 -11.728 1.530 1.00 0.00 C ATOM 1359 OG SER A 92 -6.026 -12.862 0.782 1.00 0.00 O ATOM 0 H SER A 92 -6.632 -10.824 -0.845 1.00 0.00 H new ATOM 0 HA SER A 92 -4.665 -9.833 1.146 1.00 0.00 H new ATOM 0 HB2 SER A 92 -4.828 -12.010 2.236 1.00 0.00 H new ATOM 0 HB3 SER A 92 -6.442 -11.337 2.115 1.00 0.00 H new ATOM 0 HG SER A 92 -6.358 -13.553 1.393 1.00 0.00 H new ATOM 1365 N GLN A 93 -2.778 -11.256 0.176 1.00 0.00 N ATOM 1366 CA GLN A 93 -1.659 -11.815 -0.572 1.00 0.00 C ATOM 1367 C GLN A 93 -0.659 -12.461 0.372 1.00 0.00 C ATOM 1368 O GLN A 93 -0.640 -12.173 1.568 1.00 0.00 O ATOM 1369 CB GLN A 93 -0.941 -10.727 -1.367 1.00 0.00 C ATOM 1370 CG GLN A 93 -1.830 -10.210 -2.496 1.00 0.00 C ATOM 1371 CD GLN A 93 -1.013 -9.286 -3.393 1.00 0.00 C ATOM 1372 OE1 GLN A 93 -1.528 -8.758 -4.378 1.00 0.00 O ATOM 1373 NE2 GLN A 93 0.244 -9.063 -3.108 1.00 0.00 N ATOM 0 H GLN A 93 -2.530 -10.876 1.089 1.00 0.00 H new ATOM 0 HA GLN A 93 -2.061 -12.563 -1.256 1.00 0.00 H new ATOM 0 HB2 GLN A 93 -0.670 -9.905 -0.705 1.00 0.00 H new ATOM 0 HB3 GLN A 93 -0.013 -11.123 -1.780 1.00 0.00 H new ATOM 0 HG2 GLN A 93 -2.224 -11.044 -3.076 1.00 0.00 H new ATOM 0 HG3 GLN A 93 -2.686 -9.675 -2.085 1.00 0.00 H new ATOM 0 HE21 GLN A 93 0.667 -9.502 -2.291 1.00 0.00 H new ATOM 0 HE22 GLN A 93 0.801 -8.450 -3.703 1.00 0.00 H new ATOM 1382 N THR A 94 0.182 -13.321 -0.181 1.00 0.00 N ATOM 1383 CA THR A 94 1.199 -13.989 0.610 1.00 0.00 C ATOM 1384 C THR A 94 2.576 -13.726 0.006 1.00 0.00 C ATOM 1385 O THR A 94 2.866 -14.160 -1.109 1.00 0.00 O ATOM 1386 CB THR A 94 0.919 -15.492 0.643 1.00 0.00 C ATOM 1387 OG1 THR A 94 -0.464 -15.718 0.406 1.00 0.00 O ATOM 1388 CG2 THR A 94 1.299 -16.053 2.012 1.00 0.00 C ATOM 0 H THR A 94 0.179 -13.571 -1.170 1.00 0.00 H new ATOM 0 HA THR A 94 1.179 -13.601 1.628 1.00 0.00 H new ATOM 0 HB THR A 94 1.508 -15.989 -0.128 1.00 0.00 H new ATOM 0 HG1 THR A 94 -0.646 -16.681 0.425 1.00 0.00 H new ATOM 0 HG21 THR A 94 1.099 -17.124 2.034 1.00 0.00 H new ATOM 0 HG22 THR A 94 2.359 -15.878 2.196 1.00 0.00 H new ATOM 0 HG23 THR A 94 0.710 -15.558 2.784 1.00 0.00 H new ATOM 1396 N THR A 95 3.418 -13.004 0.743 1.00 0.00 N ATOM 1397 CA THR A 95 4.756 -12.684 0.256 1.00 0.00 C ATOM 1398 C THR A 95 5.418 -13.925 -0.336 1.00 0.00 C ATOM 1399 O THR A 95 5.947 -13.827 -1.430 1.00 0.00 O ATOM 1400 CB THR A 95 5.622 -12.141 1.396 1.00 0.00 C ATOM 1401 OG1 THR A 95 5.768 -13.142 2.393 1.00 0.00 O ATOM 1402 CG2 THR A 95 4.961 -10.903 2.007 1.00 0.00 C ATOM 1403 OXT THR A 95 5.393 -14.955 0.319 1.00 0.00 O ATOM 0 H THR A 95 3.200 -12.634 1.668 1.00 0.00 H new ATOM 0 HA THR A 95 4.663 -11.923 -0.519 1.00 0.00 H new ATOM 0 HB THR A 95 6.602 -11.867 1.005 1.00 0.00 H new ATOM 0 HG1 THR A 95 5.053 -13.805 2.298 1.00 0.00 H new ATOM 0 HG21 THR A 95 5.582 -10.522 2.817 1.00 0.00 H new ATOM 0 HG22 THR A 95 4.851 -10.135 1.242 1.00 0.00 H new ATOM 0 HG23 THR A 95 3.979 -11.170 2.397 1.00 0.00 H new