USER MOD reduce.3.24.130724 H: found=0, std=0, add=586, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 585 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 26 SER OG : rot -125:sc= 0.16 USER MOD Set 1.2: A 77 SER OG : rot 141:sc= 0.646 USER MOD Set 2.1: A 36 MET CE :methyl -161:sc= -9.76! (180deg=-12.1!) USER MOD Set 2.2: A 57 TYR OH : rot -16:sc= -0.856 USER MOD Set 3.1: A 35 HIS : no HD1:sc= -0.583 X(o=-0.42,f=-0.26) USER MOD Set 3.2: A 73 THR OG1 : rot 147:sc= 0.161 USER MOD Single : A 21 SER OG : rot -103:sc= 0.0912 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 30 GLN : amide:sc= 0.305 K(o=0.31,f=-0.55) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 CYS SG : rot -16:sc= 0.709 USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 54 MET CE :methyl 165:sc= -2.11 (180deg=-2.98) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 MET CE :methyl -151:sc= -2.08 (180deg=-4.53!) USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 HIS :FLIP no HD1:sc= -1.88 F(o=-4.1!,f=-1.9) USER MOD Single : A 82 THR OG1 : rot 180:sc= 0 USER MOD Single : A 83 SER OG : rot 115:sc= -0.349 USER MOD Single : A 84 TYR OH : rot 180:sc= 0 USER MOD Single : A 88 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 186 N PHE A 16 -8.031 9.447 -4.307 1.00 0.00 N ATOM 187 CA PHE A 16 -8.486 8.165 -3.795 1.00 0.00 C ATOM 188 C PHE A 16 -7.303 7.236 -3.514 1.00 0.00 C ATOM 189 O PHE A 16 -6.712 6.679 -4.439 1.00 0.00 O ATOM 190 CB PHE A 16 -9.365 7.537 -4.879 1.00 0.00 C ATOM 191 CG PHE A 16 -10.539 8.417 -5.314 1.00 0.00 C ATOM 192 CD1 PHE A 16 -11.514 8.740 -4.423 1.00 0.00 C ATOM 193 CD2 PHE A 16 -10.607 8.876 -6.593 1.00 0.00 C ATOM 194 CE1 PHE A 16 -12.603 9.556 -4.827 1.00 0.00 C ATOM 195 CE2 PHE A 16 -11.696 9.692 -6.997 1.00 0.00 C ATOM 196 CZ PHE A 16 -12.671 10.015 -6.106 1.00 0.00 C ATOM 0 HA PHE A 16 -9.031 8.309 -2.862 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -8.748 7.315 -5.750 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -9.753 6.586 -4.513 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -11.460 8.376 -3.408 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -9.833 8.620 -7.301 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -13.377 9.812 -4.119 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -11.750 10.056 -8.012 1.00 0.00 H new ATOM 0 HZ PHE A 16 -13.499 10.636 -6.414 1.00 0.00 H new ATOM 206 N ARG A 17 -6.992 7.098 -2.234 1.00 0.00 N ATOM 207 CA ARG A 17 -5.890 6.246 -1.819 1.00 0.00 C ATOM 208 C ARG A 17 -6.349 5.278 -0.727 1.00 0.00 C ATOM 209 O ARG A 17 -7.500 5.324 -0.295 1.00 0.00 O ATOM 210 CB ARG A 17 -4.718 7.078 -1.293 1.00 0.00 C ATOM 211 CG ARG A 17 -5.079 7.758 0.029 1.00 0.00 C ATOM 212 CD ARG A 17 -3.849 8.411 0.662 1.00 0.00 C ATOM 213 NE ARG A 17 -3.418 9.572 -0.149 1.00 0.00 N ATOM 214 CZ ARG A 17 -4.042 10.757 -0.155 1.00 0.00 C ATOM 215 NH1 ARG A 17 -5.128 10.947 0.607 1.00 0.00 N ATOM 216 NH2 ARG A 17 -3.581 11.754 -0.923 1.00 0.00 N ATOM 0 H ARG A 17 -7.484 7.562 -1.470 1.00 0.00 H new ATOM 0 HA ARG A 17 -5.559 5.684 -2.692 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -3.847 6.438 -1.151 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -4.442 7.832 -2.031 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -5.847 8.512 -0.143 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -5.500 7.025 0.716 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -4.080 8.732 1.678 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -3.038 7.686 0.733 1.00 0.00 H new ATOM 0 HE ARG A 17 -2.594 9.463 -0.740 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -5.480 10.189 1.192 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -5.603 11.850 0.602 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -2.755 11.610 -1.503 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -4.057 12.656 -0.927 1.00 0.00 H new ATOM 230 N VAL A 18 -5.426 4.422 -0.312 1.00 0.00 N ATOM 231 CA VAL A 18 -5.722 3.444 0.721 1.00 0.00 C ATOM 232 C VAL A 18 -4.601 3.454 1.762 1.00 0.00 C ATOM 233 O VAL A 18 -3.436 3.248 1.426 1.00 0.00 O ATOM 234 CB VAL A 18 -5.942 2.067 0.091 1.00 0.00 C ATOM 235 CG1 VAL A 18 -7.215 2.050 -0.758 1.00 0.00 C ATOM 236 CG2 VAL A 18 -4.726 1.642 -0.735 1.00 0.00 C ATOM 0 H VAL A 18 -4.473 4.386 -0.673 1.00 0.00 H new ATOM 0 HA VAL A 18 -6.647 3.701 1.237 1.00 0.00 H new ATOM 0 HB VAL A 18 -6.068 1.345 0.898 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -7.348 1.060 -1.194 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -8.074 2.289 -0.131 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -7.131 2.789 -1.555 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -4.908 0.660 -1.172 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -4.555 2.367 -1.531 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -3.847 1.596 -0.092 1.00 0.00 H new ATOM 246 N LEU A 19 -4.993 3.694 3.004 1.00 0.00 N ATOM 247 CA LEU A 19 -4.036 3.733 4.097 1.00 0.00 C ATOM 248 C LEU A 19 -3.749 2.306 4.568 1.00 0.00 C ATOM 249 O LEU A 19 -4.667 1.570 4.925 1.00 0.00 O ATOM 250 CB LEU A 19 -4.529 4.661 5.209 1.00 0.00 C ATOM 251 CG LEU A 19 -4.562 6.153 4.872 1.00 0.00 C ATOM 252 CD1 LEU A 19 -4.512 7.003 6.143 1.00 0.00 C ATOM 253 CD2 LEU A 19 -3.445 6.519 3.892 1.00 0.00 C ATOM 0 H LEU A 19 -5.961 3.864 3.278 1.00 0.00 H new ATOM 0 HA LEU A 19 -3.089 4.154 3.760 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -5.534 4.351 5.495 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -3.892 4.520 6.082 1.00 0.00 H new ATOM 0 HG LEU A 19 -5.508 6.371 4.376 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -4.537 8.059 5.875 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -5.371 6.768 6.772 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -3.593 6.788 6.688 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -3.491 7.585 3.669 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -2.479 6.283 4.337 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -3.569 5.950 2.970 1.00 0.00 H new ATOM 265 N VAL A 20 -2.470 1.958 4.555 1.00 0.00 N ATOM 266 CA VAL A 20 -2.051 0.633 4.977 1.00 0.00 C ATOM 267 C VAL A 20 -1.298 0.739 6.305 1.00 0.00 C ATOM 268 O VAL A 20 -0.517 1.668 6.508 1.00 0.00 O ATOM 269 CB VAL A 20 -1.224 -0.031 3.874 1.00 0.00 C ATOM 270 CG1 VAL A 20 -0.616 -1.348 4.360 1.00 0.00 C ATOM 271 CG2 VAL A 20 -2.066 -0.248 2.614 1.00 0.00 C ATOM 0 H VAL A 20 -1.711 2.571 4.259 1.00 0.00 H new ATOM 0 HA VAL A 20 -2.918 -0.005 5.144 1.00 0.00 H new ATOM 0 HB VAL A 20 -0.405 0.641 3.619 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -0.034 -1.798 3.556 1.00 0.00 H new ATOM 0 HG12 VAL A 20 0.033 -1.156 5.215 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -1.413 -2.030 4.656 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -1.455 -0.721 1.845 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -2.915 -0.890 2.850 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -2.429 0.713 2.249 1.00 0.00 H new ATOM 281 N SER A 21 -1.560 -0.225 7.176 1.00 0.00 N ATOM 282 CA SER A 21 -0.917 -0.251 8.479 1.00 0.00 C ATOM 283 C SER A 21 -0.745 -1.697 8.948 1.00 0.00 C ATOM 284 O SER A 21 -1.699 -2.473 8.942 1.00 0.00 O ATOM 285 CB SER A 21 -1.722 0.548 9.506 1.00 0.00 C ATOM 286 OG SER A 21 -2.979 -0.060 9.790 1.00 0.00 O ATOM 0 H SER A 21 -2.209 -0.993 7.005 1.00 0.00 H new ATOM 0 HA SER A 21 0.065 0.213 8.386 1.00 0.00 H new ATOM 0 HB2 SER A 21 -1.146 0.638 10.427 1.00 0.00 H new ATOM 0 HB3 SER A 21 -1.885 1.559 9.132 1.00 0.00 H new ATOM 0 HG SER A 21 -3.691 0.431 9.330 1.00 0.00 H new ATOM 292 N GLY A 22 0.478 -2.015 9.344 1.00 0.00 N ATOM 293 CA GLY A 22 0.788 -3.354 9.816 1.00 0.00 C ATOM 294 C GLY A 22 1.694 -4.089 8.826 1.00 0.00 C ATOM 295 O GLY A 22 1.426 -5.234 8.466 1.00 0.00 O ATOM 0 H GLY A 22 1.267 -1.368 9.348 1.00 0.00 H new ATOM 0 HA2 GLY A 22 1.277 -3.296 10.788 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -0.135 -3.917 9.956 1.00 0.00 H new ATOM 299 N LEU A 23 2.748 -3.400 8.414 1.00 0.00 N ATOM 300 CA LEU A 23 3.695 -3.972 7.473 1.00 0.00 C ATOM 301 C LEU A 23 4.823 -4.660 8.245 1.00 0.00 C ATOM 302 O LEU A 23 5.070 -4.339 9.406 1.00 0.00 O ATOM 303 CB LEU A 23 4.184 -2.906 6.489 1.00 0.00 C ATOM 304 CG LEU A 23 3.214 -2.534 5.367 1.00 0.00 C ATOM 305 CD1 LEU A 23 3.330 -1.051 5.011 1.00 0.00 C ATOM 306 CD2 LEU A 23 3.417 -3.434 4.146 1.00 0.00 C ATOM 0 H LEU A 23 2.967 -2.450 8.715 1.00 0.00 H new ATOM 0 HA LEU A 23 3.212 -4.737 6.865 1.00 0.00 H new ATOM 0 HB2 LEU A 23 4.422 -2.003 7.051 1.00 0.00 H new ATOM 0 HB3 LEU A 23 5.113 -3.255 6.038 1.00 0.00 H new ATOM 0 HG LEU A 23 2.198 -2.701 5.725 1.00 0.00 H new ATOM 0 HD11 LEU A 23 2.629 -0.813 4.211 1.00 0.00 H new ATOM 0 HD12 LEU A 23 3.098 -0.447 5.888 1.00 0.00 H new ATOM 0 HD13 LEU A 23 4.346 -0.835 4.680 1.00 0.00 H new ATOM 0 HD21 LEU A 23 2.715 -3.148 3.363 1.00 0.00 H new ATOM 0 HD22 LEU A 23 4.437 -3.323 3.777 1.00 0.00 H new ATOM 0 HD23 LEU A 23 3.244 -4.473 4.427 1.00 0.00 H new ATOM 318 N PRO A 24 5.494 -5.618 7.551 1.00 0.00 N ATOM 319 CA PRO A 24 6.589 -6.354 8.159 1.00 0.00 C ATOM 320 C PRO A 24 7.848 -5.488 8.249 1.00 0.00 C ATOM 321 O PRO A 24 7.900 -4.400 7.677 1.00 0.00 O ATOM 322 CB PRO A 24 6.774 -7.581 7.281 1.00 0.00 C ATOM 323 CG PRO A 24 6.094 -7.255 5.961 1.00 0.00 C ATOM 324 CD PRO A 24 5.228 -6.024 6.174 1.00 0.00 C ATOM 0 HA PRO A 24 6.380 -6.645 9.188 1.00 0.00 H new ATOM 0 HB2 PRO A 24 7.832 -7.799 7.132 1.00 0.00 H new ATOM 0 HB3 PRO A 24 6.329 -8.462 7.743 1.00 0.00 H new ATOM 0 HG2 PRO A 24 6.836 -7.070 5.185 1.00 0.00 H new ATOM 0 HG3 PRO A 24 5.486 -8.096 5.627 1.00 0.00 H new ATOM 0 HD2 PRO A 24 5.486 -5.232 5.471 1.00 0.00 H new ATOM 0 HD3 PRO A 24 4.172 -6.252 6.025 1.00 0.00 H new ATOM 332 N PRO A 25 8.857 -6.018 8.990 1.00 0.00 N ATOM 333 CA PRO A 25 10.112 -5.306 9.162 1.00 0.00 C ATOM 334 C PRO A 25 10.962 -5.377 7.892 1.00 0.00 C ATOM 335 O PRO A 25 11.937 -4.641 7.751 1.00 0.00 O ATOM 336 CB PRO A 25 10.778 -5.966 10.359 1.00 0.00 C ATOM 337 CG PRO A 25 10.096 -7.315 10.524 1.00 0.00 C ATOM 338 CD PRO A 25 8.831 -7.304 9.681 1.00 0.00 C ATOM 0 HA PRO A 25 9.969 -4.240 9.339 1.00 0.00 H new ATOM 0 HB2 PRO A 25 11.848 -6.087 10.193 1.00 0.00 H new ATOM 0 HB3 PRO A 25 10.662 -5.357 11.256 1.00 0.00 H new ATOM 0 HG2 PRO A 25 10.759 -8.119 10.206 1.00 0.00 H new ATOM 0 HG3 PRO A 25 9.855 -7.495 11.572 1.00 0.00 H new ATOM 0 HD2 PRO A 25 8.819 -8.133 8.974 1.00 0.00 H new ATOM 0 HD3 PRO A 25 7.941 -7.402 10.302 1.00 0.00 H new ATOM 346 N SER A 26 10.559 -6.269 6.998 1.00 0.00 N ATOM 347 CA SER A 26 11.271 -6.445 5.744 1.00 0.00 C ATOM 348 C SER A 26 10.384 -6.015 4.574 1.00 0.00 C ATOM 349 O SER A 26 10.863 -5.864 3.450 1.00 0.00 O ATOM 350 CB SER A 26 11.720 -7.897 5.564 1.00 0.00 C ATOM 351 OG SER A 26 10.635 -8.811 5.696 1.00 0.00 O ATOM 0 H SER A 26 9.749 -6.877 7.118 1.00 0.00 H new ATOM 0 HA SER A 26 12.162 -5.818 5.766 1.00 0.00 H new ATOM 0 HB2 SER A 26 12.177 -8.016 4.582 1.00 0.00 H new ATOM 0 HB3 SER A 26 12.486 -8.134 6.303 1.00 0.00 H new ATOM 0 HG SER A 26 10.847 -9.473 6.386 1.00 0.00 H new ATOM 357 N GLY A 27 9.108 -5.829 4.877 1.00 0.00 N ATOM 358 CA GLY A 27 8.150 -5.419 3.865 1.00 0.00 C ATOM 359 C GLY A 27 8.649 -4.190 3.103 1.00 0.00 C ATOM 360 O GLY A 27 9.492 -3.445 3.603 1.00 0.00 O ATOM 0 H GLY A 27 8.715 -5.955 5.810 1.00 0.00 H new ATOM 0 HA2 GLY A 27 7.979 -6.239 3.168 1.00 0.00 H new ATOM 0 HA3 GLY A 27 7.192 -5.196 4.335 1.00 0.00 H new ATOM 364 N SER A 28 8.108 -4.014 1.907 1.00 0.00 N ATOM 365 CA SER A 28 8.488 -2.887 1.072 1.00 0.00 C ATOM 366 C SER A 28 7.259 -2.335 0.347 1.00 0.00 C ATOM 367 O SER A 28 6.177 -2.916 0.421 1.00 0.00 O ATOM 368 CB SER A 28 9.564 -3.289 0.061 1.00 0.00 C ATOM 369 OG SER A 28 10.814 -3.557 0.690 1.00 0.00 O ATOM 0 H SER A 28 7.409 -4.633 1.496 1.00 0.00 H new ATOM 0 HA SER A 28 8.903 -2.110 1.714 1.00 0.00 H new ATOM 0 HB2 SER A 28 9.236 -4.173 -0.485 1.00 0.00 H new ATOM 0 HB3 SER A 28 9.690 -2.491 -0.671 1.00 0.00 H new ATOM 0 HG SER A 28 11.474 -3.812 0.011 1.00 0.00 H new ATOM 375 N TRP A 29 7.466 -1.219 -0.336 1.00 0.00 N ATOM 376 CA TRP A 29 6.388 -0.582 -1.074 1.00 0.00 C ATOM 377 C TRP A 29 6.174 -1.366 -2.370 1.00 0.00 C ATOM 378 O TRP A 29 5.039 -1.648 -2.749 1.00 0.00 O ATOM 379 CB TRP A 29 6.688 0.899 -1.313 1.00 0.00 C ATOM 380 CG TRP A 29 7.962 1.153 -2.121 1.00 0.00 C ATOM 381 CD1 TRP A 29 9.160 1.549 -1.670 1.00 0.00 C ATOM 382 CD2 TRP A 29 8.116 1.013 -3.549 1.00 0.00 C ATOM 383 NE1 TRP A 29 10.072 1.673 -2.699 1.00 0.00 N ATOM 384 CE2 TRP A 29 9.416 1.337 -3.878 1.00 0.00 C ATOM 385 CE3 TRP A 29 7.187 0.625 -4.531 1.00 0.00 C ATOM 386 CZ2 TRP A 29 9.906 1.306 -5.189 1.00 0.00 C ATOM 387 CZ3 TRP A 29 7.692 0.599 -5.836 1.00 0.00 C ATOM 388 CH2 TRP A 29 8.999 0.922 -6.184 1.00 0.00 C ATOM 0 H TRP A 29 8.364 -0.739 -0.394 1.00 0.00 H new ATOM 0 HA TRP A 29 5.462 -0.602 -0.499 1.00 0.00 H new ATOM 0 HB2 TRP A 29 5.844 1.351 -1.834 1.00 0.00 H new ATOM 0 HB3 TRP A 29 6.775 1.402 -0.350 1.00 0.00 H new ATOM 0 HD1 TRP A 29 9.384 1.746 -0.632 1.00 0.00 H new ATOM 0 HE1 TRP A 29 11.047 1.958 -2.611 1.00 0.00 H new ATOM 0 HE3 TRP A 29 6.165 0.367 -4.297 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 10.929 1.564 -5.420 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 7.019 0.307 -6.629 1.00 0.00 H new ATOM 0 HH2 TRP A 29 9.313 0.877 -7.216 1.00 0.00 H new ATOM 399 N GLN A 30 7.284 -1.695 -3.015 1.00 0.00 N ATOM 400 CA GLN A 30 7.232 -2.440 -4.261 1.00 0.00 C ATOM 401 C GLN A 30 6.261 -3.616 -4.137 1.00 0.00 C ATOM 402 O GLN A 30 5.165 -3.581 -4.694 1.00 0.00 O ATOM 403 CB GLN A 30 8.626 -2.921 -4.671 1.00 0.00 C ATOM 404 CG GLN A 30 9.384 -1.827 -5.424 1.00 0.00 C ATOM 405 CD GLN A 30 10.727 -2.347 -5.942 1.00 0.00 C ATOM 406 OE1 GLN A 30 10.860 -3.485 -6.363 1.00 0.00 O ATOM 407 NE2 GLN A 30 11.710 -1.454 -5.888 1.00 0.00 N ATOM 0 H GLN A 30 8.224 -1.459 -2.698 1.00 0.00 H new ATOM 0 HA GLN A 30 6.868 -1.775 -5.044 1.00 0.00 H new ATOM 0 HB2 GLN A 30 9.189 -3.214 -3.785 1.00 0.00 H new ATOM 0 HB3 GLN A 30 8.538 -3.807 -5.300 1.00 0.00 H new ATOM 0 HG2 GLN A 30 8.781 -1.471 -6.259 1.00 0.00 H new ATOM 0 HG3 GLN A 30 9.550 -0.975 -4.765 1.00 0.00 H new ATOM 0 HE21 GLN A 30 11.530 -0.518 -5.524 1.00 0.00 H new ATOM 0 HE22 GLN A 30 12.645 -1.704 -6.211 1.00 0.00 H new ATOM 416 N ASP A 31 6.698 -4.628 -3.402 1.00 0.00 N ATOM 417 CA ASP A 31 5.881 -5.812 -3.198 1.00 0.00 C ATOM 418 C ASP A 31 4.481 -5.388 -2.750 1.00 0.00 C ATOM 419 O ASP A 31 3.483 -5.869 -3.284 1.00 0.00 O ATOM 420 CB ASP A 31 6.474 -6.709 -2.110 1.00 0.00 C ATOM 421 CG ASP A 31 6.685 -8.168 -2.518 1.00 0.00 C ATOM 422 OD1 ASP A 31 5.880 -8.647 -3.347 1.00 0.00 O ATOM 423 OD2 ASP A 31 7.645 -8.772 -1.993 1.00 0.00 O ATOM 0 H ASP A 31 7.607 -4.652 -2.940 1.00 0.00 H new ATOM 0 HA ASP A 31 5.843 -6.362 -4.138 1.00 0.00 H new ATOM 0 HB2 ASP A 31 7.432 -6.292 -1.799 1.00 0.00 H new ATOM 0 HB3 ASP A 31 5.817 -6.682 -1.240 1.00 0.00 H new ATOM 428 N LEU A 32 4.452 -4.493 -1.773 1.00 0.00 N ATOM 429 CA LEU A 32 3.191 -4.000 -1.247 1.00 0.00 C ATOM 430 C LEU A 32 2.274 -3.614 -2.410 1.00 0.00 C ATOM 431 O LEU A 32 1.106 -3.998 -2.439 1.00 0.00 O ATOM 432 CB LEU A 32 3.433 -2.864 -0.251 1.00 0.00 C ATOM 433 CG LEU A 32 2.207 -2.030 0.126 1.00 0.00 C ATOM 434 CD1 LEU A 32 2.509 -1.119 1.317 1.00 0.00 C ATOM 435 CD2 LEU A 32 1.687 -1.244 -1.079 1.00 0.00 C ATOM 0 H LEU A 32 5.282 -4.097 -1.332 1.00 0.00 H new ATOM 0 HA LEU A 32 2.681 -4.782 -0.685 1.00 0.00 H new ATOM 0 HB2 LEU A 32 3.852 -3.290 0.661 1.00 0.00 H new ATOM 0 HB3 LEU A 32 4.188 -2.197 -0.668 1.00 0.00 H new ATOM 0 HG LEU A 32 1.413 -2.710 0.434 1.00 0.00 H new ATOM 0 HD11 LEU A 32 1.621 -0.537 1.564 1.00 0.00 H new ATOM 0 HD12 LEU A 32 2.796 -1.726 2.176 1.00 0.00 H new ATOM 0 HD13 LEU A 32 3.325 -0.444 1.061 1.00 0.00 H new ATOM 0 HD21 LEU A 32 0.815 -0.660 -0.784 1.00 0.00 H new ATOM 0 HD22 LEU A 32 2.467 -0.574 -1.441 1.00 0.00 H new ATOM 0 HD23 LEU A 32 1.407 -1.937 -1.872 1.00 0.00 H new ATOM 447 N LYS A 33 2.839 -2.858 -3.341 1.00 0.00 N ATOM 448 CA LYS A 33 2.088 -2.415 -4.503 1.00 0.00 C ATOM 449 C LYS A 33 1.525 -3.635 -5.236 1.00 0.00 C ATOM 450 O LYS A 33 0.311 -3.773 -5.377 1.00 0.00 O ATOM 451 CB LYS A 33 2.950 -1.511 -5.385 1.00 0.00 C ATOM 452 CG LYS A 33 2.079 -0.644 -6.297 1.00 0.00 C ATOM 453 CD LYS A 33 2.926 0.392 -7.040 1.00 0.00 C ATOM 454 CE LYS A 33 3.076 0.021 -8.517 1.00 0.00 C ATOM 455 NZ LYS A 33 4.011 0.948 -9.192 1.00 0.00 N ATOM 0 H LYS A 33 3.808 -2.541 -3.314 1.00 0.00 H new ATOM 0 HA LYS A 33 1.237 -1.805 -4.198 1.00 0.00 H new ATOM 0 HB2 LYS A 33 3.574 -0.874 -4.759 1.00 0.00 H new ATOM 0 HB3 LYS A 33 3.622 -2.120 -5.989 1.00 0.00 H new ATOM 0 HG2 LYS A 33 1.557 -1.276 -7.016 1.00 0.00 H new ATOM 0 HG3 LYS A 33 1.316 -0.138 -5.705 1.00 0.00 H new ATOM 0 HD2 LYS A 33 2.463 1.375 -6.954 1.00 0.00 H new ATOM 0 HD3 LYS A 33 3.910 0.462 -6.577 1.00 0.00 H new ATOM 0 HE2 LYS A 33 3.442 -1.002 -8.606 1.00 0.00 H new ATOM 0 HE3 LYS A 33 2.103 0.056 -9.007 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 4.101 0.682 -10.193 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 3.647 1.920 -9.123 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 4.943 0.895 -8.734 1.00 0.00 H new ATOM 469 N ASP A 34 2.435 -4.488 -5.683 1.00 0.00 N ATOM 470 CA ASP A 34 2.045 -5.691 -6.398 1.00 0.00 C ATOM 471 C ASP A 34 0.815 -6.303 -5.725 1.00 0.00 C ATOM 472 O ASP A 34 0.004 -6.955 -6.381 1.00 0.00 O ATOM 473 CB ASP A 34 3.165 -6.734 -6.374 1.00 0.00 C ATOM 474 CG ASP A 34 4.488 -6.275 -6.989 1.00 0.00 C ATOM 475 OD1 ASP A 34 4.540 -5.100 -7.413 1.00 0.00 O ATOM 476 OD2 ASP A 34 5.419 -7.109 -7.021 1.00 0.00 O ATOM 0 H ASP A 34 3.441 -4.370 -5.564 1.00 0.00 H new ATOM 0 HA ASP A 34 1.831 -5.415 -7.431 1.00 0.00 H new ATOM 0 HB2 ASP A 34 3.345 -7.028 -5.340 1.00 0.00 H new ATOM 0 HB3 ASP A 34 2.824 -7.623 -6.904 1.00 0.00 H new ATOM 481 N HIS A 35 0.715 -6.071 -4.424 1.00 0.00 N ATOM 482 CA HIS A 35 -0.403 -6.592 -3.655 1.00 0.00 C ATOM 483 C HIS A 35 -1.590 -5.634 -3.763 1.00 0.00 C ATOM 484 O HIS A 35 -2.659 -6.015 -4.237 1.00 0.00 O ATOM 485 CB HIS A 35 0.013 -6.861 -2.207 1.00 0.00 C ATOM 486 CG HIS A 35 -1.045 -7.555 -1.384 1.00 0.00 C ATOM 487 ND1 HIS A 35 -0.791 -8.697 -0.645 1.00 0.00 N ATOM 488 CD2 HIS A 35 -2.362 -7.256 -1.189 1.00 0.00 C ATOM 489 CE1 HIS A 35 -1.911 -9.061 -0.038 1.00 0.00 C ATOM 490 NE2 HIS A 35 -2.884 -8.167 -0.377 1.00 0.00 N ATOM 0 H HIS A 35 1.389 -5.530 -3.883 1.00 0.00 H new ATOM 0 HA HIS A 35 -0.717 -7.552 -4.066 1.00 0.00 H new ATOM 0 HB2 HIS A 35 0.917 -7.470 -2.206 1.00 0.00 H new ATOM 0 HB3 HIS A 35 0.266 -5.914 -1.731 1.00 0.00 H new ATOM 0 HD2 HIS A 35 -2.890 -6.420 -1.622 1.00 0.00 H new ATOM 0 HE1 HIS A 35 -2.032 -9.916 0.611 1.00 0.00 H new ATOM 0 HE2 HIS A 35 -3.853 -8.194 -0.059 1.00 0.00 H new ATOM 498 N MET A 36 -1.363 -4.407 -3.315 1.00 0.00 N ATOM 499 CA MET A 36 -2.401 -3.392 -3.355 1.00 0.00 C ATOM 500 C MET A 36 -3.011 -3.286 -4.754 1.00 0.00 C ATOM 501 O MET A 36 -4.218 -3.095 -4.897 1.00 0.00 O ATOM 502 CB MET A 36 -1.808 -2.040 -2.953 1.00 0.00 C ATOM 503 CG MET A 36 -1.546 -1.982 -1.446 1.00 0.00 C ATOM 504 SD MET A 36 -3.061 -2.281 -0.551 1.00 0.00 S ATOM 505 CE MET A 36 -4.232 -1.512 -1.658 1.00 0.00 C ATOM 0 H MET A 36 -0.475 -4.094 -2.923 1.00 0.00 H new ATOM 0 HA MET A 36 -3.188 -3.676 -2.657 1.00 0.00 H new ATOM 0 HB2 MET A 36 -0.877 -1.872 -3.494 1.00 0.00 H new ATOM 0 HB3 MET A 36 -2.491 -1.240 -3.238 1.00 0.00 H new ATOM 0 HG2 MET A 36 -0.798 -2.725 -1.170 1.00 0.00 H new ATOM 0 HG3 MET A 36 -1.141 -1.007 -1.176 1.00 0.00 H new ATOM 0 HE1 MET A 36 -5.158 -1.304 -1.121 1.00 0.00 H new ATOM 0 HE2 MET A 36 -3.815 -0.579 -2.038 1.00 0.00 H new ATOM 0 HE3 MET A 36 -4.439 -2.183 -2.492 1.00 0.00 H new ATOM 515 N ARG A 37 -2.149 -3.415 -5.752 1.00 0.00 N ATOM 516 CA ARG A 37 -2.587 -3.336 -7.135 1.00 0.00 C ATOM 517 C ARG A 37 -3.871 -4.145 -7.332 1.00 0.00 C ATOM 518 O ARG A 37 -4.649 -3.869 -8.243 1.00 0.00 O ATOM 519 CB ARG A 37 -1.510 -3.862 -8.085 1.00 0.00 C ATOM 520 CG ARG A 37 -0.176 -3.150 -7.851 1.00 0.00 C ATOM 521 CD ARG A 37 0.268 -2.391 -9.103 1.00 0.00 C ATOM 522 NE ARG A 37 0.524 -3.342 -10.207 1.00 0.00 N ATOM 523 CZ ARG A 37 0.610 -2.991 -11.497 1.00 0.00 C ATOM 524 NH1 ARG A 37 0.459 -1.708 -11.854 1.00 0.00 N ATOM 525 NH2 ARG A 37 0.845 -3.922 -12.432 1.00 0.00 N ATOM 0 H ARG A 37 -1.149 -3.574 -5.630 1.00 0.00 H new ATOM 0 HA ARG A 37 -2.776 -2.287 -7.364 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -1.384 -4.935 -7.939 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -1.828 -3.716 -9.117 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -0.272 -2.456 -7.016 1.00 0.00 H new ATOM 0 HG3 ARG A 37 0.586 -3.879 -7.574 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -0.501 -1.677 -9.398 1.00 0.00 H new ATOM 0 HD3 ARG A 37 1.170 -1.817 -8.890 1.00 0.00 H new ATOM 0 HE ARG A 37 0.643 -4.327 -9.971 1.00 0.00 H new ATOM 0 HH11 ARG A 37 0.279 -0.999 -11.143 1.00 0.00 H new ATOM 0 HH12 ARG A 37 0.525 -1.441 -12.836 1.00 0.00 H new ATOM 0 HH21 ARG A 37 0.959 -4.899 -12.162 1.00 0.00 H new ATOM 0 HH22 ARG A 37 0.910 -3.654 -13.414 1.00 0.00 H new ATOM 539 N GLU A 38 -4.052 -5.128 -6.462 1.00 0.00 N ATOM 540 CA GLU A 38 -5.227 -5.979 -6.529 1.00 0.00 C ATOM 541 C GLU A 38 -6.426 -5.188 -7.057 1.00 0.00 C ATOM 542 O GLU A 38 -7.210 -5.701 -7.854 1.00 0.00 O ATOM 543 CB GLU A 38 -5.536 -6.596 -5.163 1.00 0.00 C ATOM 544 CG GLU A 38 -5.154 -8.077 -5.131 1.00 0.00 C ATOM 545 CD GLU A 38 -5.820 -8.840 -6.278 1.00 0.00 C ATOM 546 OE1 GLU A 38 -6.998 -9.219 -6.098 1.00 0.00 O ATOM 547 OE2 GLU A 38 -5.137 -9.027 -7.307 1.00 0.00 O ATOM 0 H GLU A 38 -3.404 -5.354 -5.707 1.00 0.00 H new ATOM 0 HA GLU A 38 -5.021 -6.795 -7.222 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -4.991 -6.059 -4.386 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -6.598 -6.486 -4.942 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -4.071 -8.179 -5.202 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -5.453 -8.513 -4.178 1.00 0.00 H new ATOM 554 N ALA A 39 -6.530 -3.952 -6.592 1.00 0.00 N ATOM 555 CA ALA A 39 -7.620 -3.086 -7.007 1.00 0.00 C ATOM 556 C ALA A 39 -7.547 -2.871 -8.520 1.00 0.00 C ATOM 557 O ALA A 39 -8.237 -3.547 -9.281 1.00 0.00 O ATOM 558 CB ALA A 39 -7.552 -1.771 -6.228 1.00 0.00 C ATOM 0 H ALA A 39 -5.877 -3.530 -5.932 1.00 0.00 H new ATOM 0 HA ALA A 39 -8.582 -3.547 -6.785 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -8.370 -1.121 -6.539 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -7.637 -1.976 -5.161 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -6.601 -1.278 -6.428 1.00 0.00 H new ATOM 564 N GLY A 40 -6.703 -1.927 -8.912 1.00 0.00 N ATOM 565 CA GLY A 40 -6.531 -1.615 -10.320 1.00 0.00 C ATOM 566 C GLY A 40 -5.070 -1.287 -10.634 1.00 0.00 C ATOM 567 O GLY A 40 -4.225 -2.180 -10.675 1.00 0.00 O ATOM 0 H GLY A 40 -6.131 -1.368 -8.278 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -6.856 -2.461 -10.926 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -7.163 -0.769 -10.589 1.00 0.00 H new ATOM 571 N ASP A 41 -4.817 -0.004 -10.848 1.00 0.00 N ATOM 572 CA ASP A 41 -3.473 0.452 -11.157 1.00 0.00 C ATOM 573 C ASP A 41 -3.022 1.456 -10.094 1.00 0.00 C ATOM 574 O ASP A 41 -3.754 2.389 -9.766 1.00 0.00 O ATOM 575 CB ASP A 41 -3.428 1.153 -12.517 1.00 0.00 C ATOM 576 CG ASP A 41 -2.032 1.289 -13.128 1.00 0.00 C ATOM 577 OD1 ASP A 41 -1.075 1.421 -12.335 1.00 0.00 O ATOM 578 OD2 ASP A 41 -1.953 1.258 -14.375 1.00 0.00 O ATOM 0 H ASP A 41 -5.520 0.734 -10.813 1.00 0.00 H new ATOM 0 HA ASP A 41 -2.818 -0.419 -11.178 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -4.061 0.603 -13.213 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -3.860 2.148 -12.411 1.00 0.00 H new ATOM 583 N VAL A 42 -1.820 1.229 -9.584 1.00 0.00 N ATOM 584 CA VAL A 42 -1.264 2.102 -8.564 1.00 0.00 C ATOM 585 C VAL A 42 -0.348 3.133 -9.226 1.00 0.00 C ATOM 586 O VAL A 42 0.644 2.773 -9.858 1.00 0.00 O ATOM 587 CB VAL A 42 -0.553 1.270 -7.494 1.00 0.00 C ATOM 588 CG1 VAL A 42 -0.234 2.119 -6.262 1.00 0.00 C ATOM 589 CG2 VAL A 42 -1.382 0.042 -7.114 1.00 0.00 C ATOM 0 H VAL A 42 -1.216 0.454 -9.858 1.00 0.00 H new ATOM 0 HA VAL A 42 -2.057 2.650 -8.056 1.00 0.00 H new ATOM 0 HB VAL A 42 0.390 0.920 -7.913 1.00 0.00 H new ATOM 0 HG11 VAL A 42 0.271 1.504 -5.517 1.00 0.00 H new ATOM 0 HG12 VAL A 42 0.414 2.947 -6.549 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -1.160 2.512 -5.841 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -0.854 -0.532 -6.352 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -2.348 0.362 -6.723 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -1.535 -0.580 -7.996 1.00 0.00 H new ATOM 599 N CYS A 43 -0.713 4.396 -9.058 1.00 0.00 N ATOM 600 CA CYS A 43 0.064 5.482 -9.631 1.00 0.00 C ATOM 601 C CYS A 43 1.146 5.881 -8.626 1.00 0.00 C ATOM 602 O CYS A 43 2.145 6.497 -8.996 1.00 0.00 O ATOM 603 CB CYS A 43 -0.822 6.668 -10.017 1.00 0.00 C ATOM 604 SG CYS A 43 0.218 8.099 -10.486 1.00 0.00 S ATOM 0 H CYS A 43 -1.536 4.691 -8.533 1.00 0.00 H new ATOM 0 HA CYS A 43 0.534 5.148 -10.556 1.00 0.00 H new ATOM 0 HB2 CYS A 43 -1.472 6.392 -10.848 1.00 0.00 H new ATOM 0 HB3 CYS A 43 -1.469 6.936 -9.182 1.00 0.00 H new ATOM 0 HG CYS A 43 1.435 7.905 -10.073 1.00 0.00 H new ATOM 610 N TYR A 44 0.911 5.514 -7.375 1.00 0.00 N ATOM 611 CA TYR A 44 1.854 5.826 -6.314 1.00 0.00 C ATOM 612 C TYR A 44 1.802 4.771 -5.207 1.00 0.00 C ATOM 613 O TYR A 44 0.729 4.276 -4.866 1.00 0.00 O ATOM 614 CB TYR A 44 1.411 7.173 -5.739 1.00 0.00 C ATOM 615 CG TYR A 44 2.368 7.748 -4.693 1.00 0.00 C ATOM 616 CD1 TYR A 44 3.655 8.094 -5.052 1.00 0.00 C ATOM 617 CD2 TYR A 44 1.944 7.921 -3.391 1.00 0.00 C ATOM 618 CE1 TYR A 44 4.556 8.636 -4.067 1.00 0.00 C ATOM 619 CE2 TYR A 44 2.845 8.462 -2.407 1.00 0.00 C ATOM 620 CZ TYR A 44 4.106 8.793 -2.793 1.00 0.00 C ATOM 621 OH TYR A 44 4.957 9.304 -1.863 1.00 0.00 O ATOM 0 H TYR A 44 0.081 5.004 -7.072 1.00 0.00 H new ATOM 0 HA TYR A 44 2.873 5.851 -6.701 1.00 0.00 H new ATOM 0 HB2 TYR A 44 1.308 7.889 -6.555 1.00 0.00 H new ATOM 0 HB3 TYR A 44 0.425 7.058 -5.290 1.00 0.00 H new ATOM 0 HD1 TYR A 44 3.987 7.959 -6.071 1.00 0.00 H new ATOM 0 HD2 TYR A 44 0.937 7.651 -3.110 1.00 0.00 H new ATOM 0 HE1 TYR A 44 5.566 8.911 -4.334 1.00 0.00 H new ATOM 0 HE2 TYR A 44 2.526 8.602 -1.385 1.00 0.00 H new ATOM 0 HH TYR A 44 4.500 9.361 -0.998 1.00 0.00 H new ATOM 631 N ALA A 45 2.975 4.458 -4.677 1.00 0.00 N ATOM 632 CA ALA A 45 3.077 3.471 -3.615 1.00 0.00 C ATOM 633 C ALA A 45 4.288 3.795 -2.738 1.00 0.00 C ATOM 634 O ALA A 45 5.427 3.734 -3.199 1.00 0.00 O ATOM 635 CB ALA A 45 3.158 2.071 -4.226 1.00 0.00 C ATOM 0 H ALA A 45 3.863 4.870 -4.963 1.00 0.00 H new ATOM 0 HA ALA A 45 2.192 3.499 -2.979 1.00 0.00 H new ATOM 0 HB1 ALA A 45 3.235 1.330 -3.430 1.00 0.00 H new ATOM 0 HB2 ALA A 45 2.261 1.879 -4.815 1.00 0.00 H new ATOM 0 HB3 ALA A 45 4.036 2.005 -4.869 1.00 0.00 H new ATOM 641 N ASP A 46 4.001 4.134 -1.490 1.00 0.00 N ATOM 642 CA ASP A 46 5.052 4.468 -0.544 1.00 0.00 C ATOM 643 C ASP A 46 4.823 3.700 0.759 1.00 0.00 C ATOM 644 O ASP A 46 3.753 3.131 0.968 1.00 0.00 O ATOM 645 CB ASP A 46 5.047 5.963 -0.219 1.00 0.00 C ATOM 646 CG ASP A 46 6.226 6.445 0.628 1.00 0.00 C ATOM 647 OD1 ASP A 46 7.278 6.739 0.021 1.00 0.00 O ATOM 648 OD2 ASP A 46 6.048 6.509 1.864 1.00 0.00 O ATOM 0 H ASP A 46 3.055 4.185 -1.112 1.00 0.00 H new ATOM 0 HA ASP A 46 6.008 4.201 -0.995 1.00 0.00 H new ATOM 0 HB2 ASP A 46 5.038 6.523 -1.154 1.00 0.00 H new ATOM 0 HB3 ASP A 46 4.121 6.203 0.304 1.00 0.00 H new ATOM 653 N VAL A 47 5.845 3.709 1.602 1.00 0.00 N ATOM 654 CA VAL A 47 5.768 3.020 2.879 1.00 0.00 C ATOM 655 C VAL A 47 6.483 3.852 3.946 1.00 0.00 C ATOM 656 O VAL A 47 7.505 4.478 3.668 1.00 0.00 O ATOM 657 CB VAL A 47 6.334 1.605 2.746 1.00 0.00 C ATOM 658 CG1 VAL A 47 6.519 0.957 4.119 1.00 0.00 C ATOM 659 CG2 VAL A 47 5.446 0.742 1.847 1.00 0.00 C ATOM 0 H VAL A 47 6.731 4.183 1.426 1.00 0.00 H new ATOM 0 HA VAL A 47 4.730 2.912 3.192 1.00 0.00 H new ATOM 0 HB VAL A 47 7.315 1.679 2.276 1.00 0.00 H new ATOM 0 HG11 VAL A 47 6.922 -0.048 3.996 1.00 0.00 H new ATOM 0 HG12 VAL A 47 7.210 1.555 4.713 1.00 0.00 H new ATOM 0 HG13 VAL A 47 5.557 0.902 4.628 1.00 0.00 H new ATOM 0 HG21 VAL A 47 5.871 -0.259 1.769 1.00 0.00 H new ATOM 0 HG22 VAL A 47 4.446 0.679 2.276 1.00 0.00 H new ATOM 0 HG23 VAL A 47 5.388 1.190 0.855 1.00 0.00 H new ATOM 669 N GLN A 48 5.918 3.832 5.144 1.00 0.00 N ATOM 670 CA GLN A 48 6.489 4.576 6.254 1.00 0.00 C ATOM 671 C GLN A 48 6.889 3.623 7.382 1.00 0.00 C ATOM 672 O GLN A 48 6.493 2.459 7.385 1.00 0.00 O ATOM 673 CB GLN A 48 5.515 5.643 6.757 1.00 0.00 C ATOM 674 CG GLN A 48 5.208 6.666 5.661 1.00 0.00 C ATOM 675 CD GLN A 48 4.504 7.895 6.240 1.00 0.00 C ATOM 676 OE1 GLN A 48 3.330 7.872 6.570 1.00 0.00 O ATOM 677 NE2 GLN A 48 5.285 8.967 6.345 1.00 0.00 N ATOM 0 H GLN A 48 5.070 3.312 5.371 1.00 0.00 H new ATOM 0 HA GLN A 48 7.385 5.086 5.901 1.00 0.00 H new ATOM 0 HB2 GLN A 48 4.590 5.170 7.087 1.00 0.00 H new ATOM 0 HB3 GLN A 48 5.941 6.150 7.623 1.00 0.00 H new ATOM 0 HG2 GLN A 48 6.134 6.969 5.172 1.00 0.00 H new ATOM 0 HG3 GLN A 48 4.579 6.208 4.897 1.00 0.00 H new ATOM 0 HE21 GLN A 48 6.260 8.918 6.050 1.00 0.00 H new ATOM 0 HE22 GLN A 48 4.909 9.837 6.720 1.00 0.00 H new ATOM 686 N LYS A 49 7.669 4.154 8.312 1.00 0.00 N ATOM 687 CA LYS A 49 8.128 3.365 9.443 1.00 0.00 C ATOM 688 C LYS A 49 6.921 2.916 10.269 1.00 0.00 C ATOM 689 O LYS A 49 5.819 3.436 10.098 1.00 0.00 O ATOM 690 CB LYS A 49 9.171 4.141 10.250 1.00 0.00 C ATOM 691 CG LYS A 49 8.503 5.174 11.160 1.00 0.00 C ATOM 692 CD LYS A 49 9.044 6.578 10.886 1.00 0.00 C ATOM 693 CE LYS A 49 8.175 7.642 11.558 1.00 0.00 C ATOM 694 NZ LYS A 49 8.851 8.180 12.760 1.00 0.00 N ATOM 0 H LYS A 49 7.995 5.121 8.306 1.00 0.00 H new ATOM 0 HA LYS A 49 8.633 2.463 9.098 1.00 0.00 H new ATOM 0 HB2 LYS A 49 9.760 3.448 10.851 1.00 0.00 H new ATOM 0 HB3 LYS A 49 9.862 4.641 9.572 1.00 0.00 H new ATOM 0 HG2 LYS A 49 7.425 5.159 11.003 1.00 0.00 H new ATOM 0 HG3 LYS A 49 8.677 4.911 12.203 1.00 0.00 H new ATOM 0 HD2 LYS A 49 10.068 6.655 11.253 1.00 0.00 H new ATOM 0 HD3 LYS A 49 9.076 6.756 9.811 1.00 0.00 H new ATOM 0 HE2 LYS A 49 7.971 8.450 10.856 1.00 0.00 H new ATOM 0 HE3 LYS A 49 7.213 7.212 11.836 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 8.247 8.901 13.204 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 9.023 7.409 13.436 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 9.758 8.609 12.486 1.00 0.00 H new ATOM 708 N ASP A 50 7.169 1.956 11.148 1.00 0.00 N ATOM 709 CA ASP A 50 6.116 1.431 12.001 1.00 0.00 C ATOM 710 C ASP A 50 5.404 0.285 11.279 1.00 0.00 C ATOM 711 O ASP A 50 5.027 -0.706 11.902 1.00 0.00 O ATOM 712 CB ASP A 50 5.076 2.508 12.318 1.00 0.00 C ATOM 713 CG ASP A 50 4.390 2.364 13.678 1.00 0.00 C ATOM 714 OD1 ASP A 50 3.769 1.301 13.890 1.00 0.00 O ATOM 715 OD2 ASP A 50 4.503 3.321 14.474 1.00 0.00 O ATOM 0 H ASP A 50 8.084 1.528 11.288 1.00 0.00 H new ATOM 0 HA ASP A 50 6.574 1.087 12.928 1.00 0.00 H new ATOM 0 HB2 ASP A 50 5.560 3.484 12.274 1.00 0.00 H new ATOM 0 HB3 ASP A 50 4.313 2.495 11.540 1.00 0.00 H new ATOM 720 N GLY A 51 5.242 0.459 9.976 1.00 0.00 N ATOM 721 CA GLY A 51 4.582 -0.548 9.163 1.00 0.00 C ATOM 722 C GLY A 51 3.493 0.079 8.289 1.00 0.00 C ATOM 723 O GLY A 51 2.843 -0.615 7.509 1.00 0.00 O ATOM 0 H GLY A 51 5.556 1.283 9.463 1.00 0.00 H new ATOM 0 HA2 GLY A 51 5.316 -1.049 8.532 1.00 0.00 H new ATOM 0 HA3 GLY A 51 4.143 -1.310 9.807 1.00 0.00 H new ATOM 727 N MET A 52 3.328 1.383 8.451 1.00 0.00 N ATOM 728 CA MET A 52 2.330 2.111 7.687 1.00 0.00 C ATOM 729 C MET A 52 2.641 2.063 6.190 1.00 0.00 C ATOM 730 O MET A 52 3.770 1.772 5.796 1.00 0.00 O ATOM 731 CB MET A 52 2.292 3.568 8.153 1.00 0.00 C ATOM 732 CG MET A 52 1.424 3.721 9.404 1.00 0.00 C ATOM 733 SD MET A 52 2.397 4.389 10.744 1.00 0.00 S ATOM 734 CE MET A 52 1.582 3.618 12.133 1.00 0.00 C ATOM 0 H MET A 52 3.869 1.954 9.100 1.00 0.00 H new ATOM 0 HA MET A 52 1.361 1.641 7.853 1.00 0.00 H new ATOM 0 HB2 MET A 52 3.304 3.913 8.364 1.00 0.00 H new ATOM 0 HB3 MET A 52 1.900 4.199 7.355 1.00 0.00 H new ATOM 0 HG2 MET A 52 0.580 4.378 9.193 1.00 0.00 H new ATOM 0 HG3 MET A 52 1.011 2.754 9.691 1.00 0.00 H new ATOM 0 HE1 MET A 52 2.067 3.929 13.058 1.00 0.00 H new ATOM 0 HE2 MET A 52 0.535 3.919 12.153 1.00 0.00 H new ATOM 0 HE3 MET A 52 1.646 2.534 12.037 1.00 0.00 H new ATOM 744 N GLY A 53 1.621 2.352 5.395 1.00 0.00 N ATOM 745 CA GLY A 53 1.772 2.344 3.950 1.00 0.00 C ATOM 746 C GLY A 53 0.752 3.273 3.288 1.00 0.00 C ATOM 747 O GLY A 53 -0.230 3.670 3.913 1.00 0.00 O ATOM 0 H GLY A 53 0.686 2.593 5.725 1.00 0.00 H new ATOM 0 HA2 GLY A 53 2.781 2.658 3.684 1.00 0.00 H new ATOM 0 HA3 GLY A 53 1.644 1.329 3.573 1.00 0.00 H new ATOM 751 N MET A 54 1.020 3.593 2.030 1.00 0.00 N ATOM 752 CA MET A 54 0.138 4.467 1.276 1.00 0.00 C ATOM 753 C MET A 54 0.156 4.113 -0.212 1.00 0.00 C ATOM 754 O MET A 54 1.223 3.951 -0.803 1.00 0.00 O ATOM 755 CB MET A 54 0.580 5.920 1.460 1.00 0.00 C ATOM 756 CG MET A 54 -0.506 6.888 0.987 1.00 0.00 C ATOM 757 SD MET A 54 0.139 7.948 -0.297 1.00 0.00 S ATOM 758 CE MET A 54 -0.958 7.513 -1.637 1.00 0.00 C ATOM 0 H MET A 54 1.836 3.262 1.514 1.00 0.00 H new ATOM 0 HA MET A 54 -0.878 4.336 1.649 1.00 0.00 H new ATOM 0 HB2 MET A 54 0.805 6.105 2.510 1.00 0.00 H new ATOM 0 HB3 MET A 54 1.499 6.098 0.901 1.00 0.00 H new ATOM 0 HG2 MET A 54 -1.364 6.330 0.613 1.00 0.00 H new ATOM 0 HG3 MET A 54 -0.858 7.490 1.825 1.00 0.00 H new ATOM 0 HE1 MET A 54 -0.878 8.258 -2.429 1.00 0.00 H new ATOM 0 HE2 MET A 54 -0.682 6.534 -2.030 1.00 0.00 H new ATOM 0 HE3 MET A 54 -1.984 7.481 -1.271 1.00 0.00 H new ATOM 768 N VAL A 55 -1.038 4.002 -0.776 1.00 0.00 N ATOM 769 CA VAL A 55 -1.173 3.670 -2.184 1.00 0.00 C ATOM 770 C VAL A 55 -2.362 4.432 -2.771 1.00 0.00 C ATOM 771 O VAL A 55 -3.442 4.454 -2.183 1.00 0.00 O ATOM 772 CB VAL A 55 -1.291 2.154 -2.355 1.00 0.00 C ATOM 773 CG1 VAL A 55 0.033 1.551 -2.828 1.00 0.00 C ATOM 774 CG2 VAL A 55 -1.763 1.491 -1.059 1.00 0.00 C ATOM 0 H VAL A 55 -1.921 4.136 -0.283 1.00 0.00 H new ATOM 0 HA VAL A 55 -0.285 3.978 -2.736 1.00 0.00 H new ATOM 0 HB VAL A 55 -2.040 1.961 -3.123 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -0.078 0.473 -2.942 1.00 0.00 H new ATOM 0 HG12 VAL A 55 0.311 1.990 -3.786 1.00 0.00 H new ATOM 0 HG13 VAL A 55 0.811 1.760 -2.094 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -1.838 0.414 -1.208 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -1.048 1.698 -0.263 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -2.739 1.888 -0.782 1.00 0.00 H new ATOM 784 N GLU A 56 -2.123 5.038 -3.925 1.00 0.00 N ATOM 785 CA GLU A 56 -3.162 5.800 -4.599 1.00 0.00 C ATOM 786 C GLU A 56 -3.727 5.001 -5.775 1.00 0.00 C ATOM 787 O GLU A 56 -3.066 4.103 -6.295 1.00 0.00 O ATOM 788 CB GLU A 56 -2.632 7.158 -5.062 1.00 0.00 C ATOM 789 CG GLU A 56 -3.279 8.298 -4.273 1.00 0.00 C ATOM 790 CD GLU A 56 -3.277 9.596 -5.082 1.00 0.00 C ATOM 791 OE1 GLU A 56 -2.393 9.718 -5.957 1.00 0.00 O ATOM 792 OE2 GLU A 56 -4.161 10.437 -4.808 1.00 0.00 O ATOM 0 H GLU A 56 -1.226 5.017 -4.410 1.00 0.00 H new ATOM 0 HA GLU A 56 -3.969 5.985 -3.890 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -1.550 7.192 -4.936 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -2.833 7.287 -6.125 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -4.303 8.029 -4.013 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -2.741 8.448 -3.337 1.00 0.00 H new ATOM 799 N TYR A 57 -4.943 5.358 -6.161 1.00 0.00 N ATOM 800 CA TYR A 57 -5.605 4.685 -7.266 1.00 0.00 C ATOM 801 C TYR A 57 -6.161 5.697 -8.270 1.00 0.00 C ATOM 802 O TYR A 57 -6.587 6.786 -7.887 1.00 0.00 O ATOM 803 CB TYR A 57 -6.767 3.904 -6.650 1.00 0.00 C ATOM 804 CG TYR A 57 -6.349 2.595 -5.977 1.00 0.00 C ATOM 805 CD1 TYR A 57 -5.680 1.630 -6.701 1.00 0.00 C ATOM 806 CD2 TYR A 57 -6.642 2.380 -4.645 1.00 0.00 C ATOM 807 CE1 TYR A 57 -5.287 0.398 -6.067 1.00 0.00 C ATOM 808 CE2 TYR A 57 -6.249 1.149 -4.011 1.00 0.00 C ATOM 809 CZ TYR A 57 -5.591 0.218 -4.753 1.00 0.00 C ATOM 810 OH TYR A 57 -5.220 -0.945 -4.155 1.00 0.00 O ATOM 0 H TYR A 57 -5.487 6.104 -5.728 1.00 0.00 H new ATOM 0 HA TYR A 57 -4.905 4.041 -7.798 1.00 0.00 H new ATOM 0 HB2 TYR A 57 -7.267 4.535 -5.915 1.00 0.00 H new ATOM 0 HB3 TYR A 57 -7.497 3.683 -7.429 1.00 0.00 H new ATOM 0 HD1 TYR A 57 -5.451 1.798 -7.743 1.00 0.00 H new ATOM 0 HD2 TYR A 57 -7.166 3.136 -4.079 1.00 0.00 H new ATOM 0 HE1 TYR A 57 -4.763 -0.366 -6.622 1.00 0.00 H new ATOM 0 HE2 TYR A 57 -6.472 0.969 -2.970 1.00 0.00 H new ATOM 0 HH TYR A 57 -4.997 -1.609 -4.841 1.00 0.00 H new ATOM 820 N LEU A 58 -6.140 5.302 -9.534 1.00 0.00 N ATOM 821 CA LEU A 58 -6.638 6.161 -10.595 1.00 0.00 C ATOM 822 C LEU A 58 -8.145 5.952 -10.751 1.00 0.00 C ATOM 823 O LEU A 58 -8.748 6.440 -11.705 1.00 0.00 O ATOM 824 CB LEU A 58 -5.848 5.931 -11.885 1.00 0.00 C ATOM 825 CG LEU A 58 -4.330 6.093 -11.781 1.00 0.00 C ATOM 826 CD1 LEU A 58 -3.966 7.281 -10.888 1.00 0.00 C ATOM 827 CD2 LEU A 58 -3.672 4.797 -11.306 1.00 0.00 C ATOM 0 H LEU A 58 -5.786 4.398 -9.848 1.00 0.00 H new ATOM 0 HA LEU A 58 -6.487 7.210 -10.338 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -6.062 4.924 -12.244 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -6.216 6.624 -12.641 1.00 0.00 H new ATOM 0 HG LEU A 58 -3.940 6.306 -12.776 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -2.882 7.374 -10.831 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -4.387 8.194 -11.308 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -4.370 7.122 -9.888 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -2.593 4.939 -11.241 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -4.063 4.529 -10.324 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -3.890 3.997 -12.014 1.00 0.00 H new ATOM 839 N ARG A 59 -8.711 5.225 -9.798 1.00 0.00 N ATOM 840 CA ARG A 59 -10.137 4.945 -9.817 1.00 0.00 C ATOM 841 C ARG A 59 -10.684 4.880 -8.390 1.00 0.00 C ATOM 842 O ARG A 59 -10.157 4.150 -7.552 1.00 0.00 O ATOM 843 CB ARG A 59 -10.428 3.622 -10.529 1.00 0.00 C ATOM 844 CG ARG A 59 -10.390 3.797 -12.048 1.00 0.00 C ATOM 845 CD ARG A 59 -11.469 4.777 -12.515 1.00 0.00 C ATOM 846 NE ARG A 59 -11.744 4.579 -13.955 1.00 0.00 N ATOM 847 CZ ARG A 59 -12.834 5.041 -14.583 1.00 0.00 C ATOM 848 NH1 ARG A 59 -13.758 5.730 -13.900 1.00 0.00 N ATOM 849 NH2 ARG A 59 -13.000 4.814 -15.893 1.00 0.00 N ATOM 0 H ARG A 59 -8.208 4.822 -9.008 1.00 0.00 H new ATOM 0 HA ARG A 59 -10.627 5.753 -10.361 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -9.695 2.874 -10.227 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -11.407 3.250 -10.227 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -9.408 4.160 -12.351 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -10.536 2.832 -12.533 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -12.382 4.628 -11.938 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -11.143 5.802 -12.336 1.00 0.00 H new ATOM 0 HE ARG A 59 -11.061 4.058 -14.505 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -13.632 5.903 -12.903 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -14.588 6.082 -14.377 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -12.297 4.289 -16.413 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -13.830 5.166 -16.370 1.00 0.00 H new ATOM 863 N LYS A 60 -11.735 5.653 -8.158 1.00 0.00 N ATOM 864 CA LYS A 60 -12.360 5.692 -6.847 1.00 0.00 C ATOM 865 C LYS A 60 -12.811 4.283 -6.459 1.00 0.00 C ATOM 866 O LYS A 60 -12.408 3.763 -5.419 1.00 0.00 O ATOM 867 CB LYS A 60 -13.486 6.728 -6.821 1.00 0.00 C ATOM 868 CG LYS A 60 -14.148 6.784 -5.442 1.00 0.00 C ATOM 869 CD LYS A 60 -15.391 7.675 -5.467 1.00 0.00 C ATOM 870 CE LYS A 60 -16.141 7.606 -4.135 1.00 0.00 C ATOM 871 NZ LYS A 60 -17.444 8.301 -4.238 1.00 0.00 N ATOM 0 H LYS A 60 -12.169 6.257 -8.856 1.00 0.00 H new ATOM 0 HA LYS A 60 -11.643 6.016 -6.093 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -13.088 7.710 -7.077 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -14.231 6.479 -7.576 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -14.424 5.778 -5.126 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -13.437 7.165 -4.709 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -15.100 8.705 -5.672 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -16.051 7.363 -6.277 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -16.299 6.565 -3.853 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -15.540 8.062 -3.348 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -17.940 8.245 -3.326 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -17.287 9.299 -4.486 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -18.022 7.848 -4.975 1.00 0.00 H new ATOM 885 N GLU A 61 -13.640 3.705 -7.315 1.00 0.00 N ATOM 886 CA GLU A 61 -14.150 2.366 -7.075 1.00 0.00 C ATOM 887 C GLU A 61 -13.005 1.418 -6.714 1.00 0.00 C ATOM 888 O GLU A 61 -13.098 0.667 -5.744 1.00 0.00 O ATOM 889 CB GLU A 61 -14.927 1.849 -8.288 1.00 0.00 C ATOM 890 CG GLU A 61 -16.290 1.294 -7.871 1.00 0.00 C ATOM 891 CD GLU A 61 -16.222 -0.219 -7.651 1.00 0.00 C ATOM 892 OE1 GLU A 61 -15.538 -0.880 -8.461 1.00 0.00 O ATOM 893 OE2 GLU A 61 -16.857 -0.679 -6.677 1.00 0.00 O ATOM 0 H GLU A 61 -13.971 4.140 -8.176 1.00 0.00 H new ATOM 0 HA GLU A 61 -14.841 2.408 -6.233 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -15.064 2.656 -9.007 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -14.351 1.070 -8.788 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -16.621 1.784 -6.955 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -17.029 1.521 -8.639 1.00 0.00 H new ATOM 900 N ASP A 62 -11.950 1.484 -7.513 1.00 0.00 N ATOM 901 CA ASP A 62 -10.788 0.642 -7.289 1.00 0.00 C ATOM 902 C ASP A 62 -10.298 0.827 -5.851 1.00 0.00 C ATOM 903 O ASP A 62 -9.858 -0.128 -5.214 1.00 0.00 O ATOM 904 CB ASP A 62 -9.643 1.020 -8.231 1.00 0.00 C ATOM 905 CG ASP A 62 -9.784 0.499 -9.662 1.00 0.00 C ATOM 906 OD1 ASP A 62 -10.831 -0.126 -9.938 1.00 0.00 O ATOM 907 OD2 ASP A 62 -8.843 0.739 -10.449 1.00 0.00 O ATOM 0 H ASP A 62 -11.876 2.108 -8.317 1.00 0.00 H new ATOM 0 HA ASP A 62 -11.081 -0.392 -7.474 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -9.562 2.107 -8.262 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -8.709 0.643 -7.813 1.00 0.00 H new ATOM 912 N MET A 63 -10.391 2.063 -5.383 1.00 0.00 N ATOM 913 CA MET A 63 -9.963 2.386 -4.033 1.00 0.00 C ATOM 914 C MET A 63 -10.746 1.573 -3.000 1.00 0.00 C ATOM 915 O MET A 63 -10.155 0.899 -2.158 1.00 0.00 O ATOM 916 CB MET A 63 -10.173 3.879 -3.774 1.00 0.00 C ATOM 917 CG MET A 63 -9.297 4.364 -2.617 1.00 0.00 C ATOM 918 SD MET A 63 -10.322 4.927 -1.269 1.00 0.00 S ATOM 919 CE MET A 63 -11.512 5.904 -2.172 1.00 0.00 C ATOM 0 H MET A 63 -10.757 2.853 -5.915 1.00 0.00 H new ATOM 0 HA MET A 63 -8.906 2.137 -3.938 1.00 0.00 H new ATOM 0 HB2 MET A 63 -9.937 4.445 -4.675 1.00 0.00 H new ATOM 0 HB3 MET A 63 -11.222 4.068 -3.545 1.00 0.00 H new ATOM 0 HG2 MET A 63 -8.648 3.557 -2.278 1.00 0.00 H new ATOM 0 HG3 MET A 63 -8.649 5.173 -2.955 1.00 0.00 H new ATOM 0 HE1 MET A 63 -11.883 6.706 -1.534 1.00 0.00 H new ATOM 0 HE2 MET A 63 -11.036 6.333 -3.054 1.00 0.00 H new ATOM 0 HE3 MET A 63 -12.344 5.271 -2.480 1.00 0.00 H new ATOM 929 N GLU A 64 -12.064 1.663 -3.099 1.00 0.00 N ATOM 930 CA GLU A 64 -12.934 0.944 -2.184 1.00 0.00 C ATOM 931 C GLU A 64 -12.774 -0.565 -2.375 1.00 0.00 C ATOM 932 O GLU A 64 -12.757 -1.319 -1.403 1.00 0.00 O ATOM 933 CB GLU A 64 -14.393 1.369 -2.367 1.00 0.00 C ATOM 934 CG GLU A 64 -14.567 2.864 -2.097 1.00 0.00 C ATOM 935 CD GLU A 64 -16.020 3.193 -1.751 1.00 0.00 C ATOM 936 OE1 GLU A 64 -16.674 2.313 -1.150 1.00 0.00 O ATOM 937 OE2 GLU A 64 -16.446 4.317 -2.095 1.00 0.00 O ATOM 0 H GLU A 64 -12.551 2.223 -3.799 1.00 0.00 H new ATOM 0 HA GLU A 64 -12.642 1.194 -1.164 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -14.718 1.139 -3.382 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -15.029 0.797 -1.691 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -13.916 3.167 -1.277 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -14.260 3.434 -2.974 1.00 0.00 H new ATOM 944 N TYR A 65 -12.661 -0.962 -3.634 1.00 0.00 N ATOM 945 CA TYR A 65 -12.503 -2.368 -3.965 1.00 0.00 C ATOM 946 C TYR A 65 -11.385 -3.004 -3.135 1.00 0.00 C ATOM 947 O TYR A 65 -11.636 -3.908 -2.339 1.00 0.00 O ATOM 948 CB TYR A 65 -12.112 -2.412 -5.443 1.00 0.00 C ATOM 949 CG TYR A 65 -11.748 -3.809 -5.949 1.00 0.00 C ATOM 950 CD1 TYR A 65 -10.495 -4.330 -5.697 1.00 0.00 C ATOM 951 CD2 TYR A 65 -12.673 -4.549 -6.658 1.00 0.00 C ATOM 952 CE1 TYR A 65 -10.153 -5.645 -6.173 1.00 0.00 C ATOM 953 CE2 TYR A 65 -12.330 -5.864 -7.134 1.00 0.00 C ATOM 954 CZ TYR A 65 -11.087 -6.347 -6.868 1.00 0.00 C ATOM 955 OH TYR A 65 -10.764 -7.589 -7.318 1.00 0.00 O ATOM 0 H TYR A 65 -12.676 -0.334 -4.438 1.00 0.00 H new ATOM 0 HA TYR A 65 -13.422 -2.916 -3.759 1.00 0.00 H new ATOM 0 HB2 TYR A 65 -12.939 -2.025 -6.039 1.00 0.00 H new ATOM 0 HB3 TYR A 65 -11.264 -1.746 -5.604 1.00 0.00 H new ATOM 0 HD1 TYR A 65 -9.771 -3.751 -5.143 1.00 0.00 H new ATOM 0 HD2 TYR A 65 -13.654 -4.142 -6.856 1.00 0.00 H new ATOM 0 HE1 TYR A 65 -9.176 -6.064 -5.982 1.00 0.00 H new ATOM 0 HE2 TYR A 65 -13.044 -6.454 -7.690 1.00 0.00 H new ATOM 0 HH TYR A 65 -11.528 -7.973 -7.797 1.00 0.00 H new ATOM 965 N ALA A 66 -10.176 -2.506 -3.349 1.00 0.00 N ATOM 966 CA ALA A 66 -9.020 -3.014 -2.631 1.00 0.00 C ATOM 967 C ALA A 66 -9.241 -2.838 -1.127 1.00 0.00 C ATOM 968 O ALA A 66 -8.868 -3.703 -0.336 1.00 0.00 O ATOM 969 CB ALA A 66 -7.759 -2.300 -3.123 1.00 0.00 C ATOM 0 H ALA A 66 -9.972 -1.756 -4.010 1.00 0.00 H new ATOM 0 HA ALA A 66 -8.887 -4.079 -2.822 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -6.891 -2.681 -2.584 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -7.632 -2.481 -4.190 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -7.855 -1.229 -2.945 1.00 0.00 H new ATOM 975 N LEU A 67 -9.845 -1.712 -0.778 1.00 0.00 N ATOM 976 CA LEU A 67 -10.120 -1.411 0.616 1.00 0.00 C ATOM 977 C LEU A 67 -10.840 -2.599 1.258 1.00 0.00 C ATOM 978 O LEU A 67 -10.371 -3.151 2.252 1.00 0.00 O ATOM 979 CB LEU A 67 -10.883 -0.091 0.739 1.00 0.00 C ATOM 980 CG LEU A 67 -10.036 1.182 0.675 1.00 0.00 C ATOM 981 CD1 LEU A 67 -10.904 2.402 0.361 1.00 0.00 C ATOM 982 CD2 LEU A 67 -9.228 1.368 1.960 1.00 0.00 C ATOM 0 H LEU A 67 -10.152 -0.997 -1.437 1.00 0.00 H new ATOM 0 HA LEU A 67 -9.189 -1.267 1.165 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -11.627 -0.049 -0.056 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -11.426 -0.095 1.684 1.00 0.00 H new ATOM 0 HG LEU A 67 -9.321 1.077 -0.141 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -10.278 3.293 0.321 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -11.396 2.261 -0.601 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -11.658 2.522 1.139 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -8.635 2.280 1.888 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -9.907 1.443 2.809 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -8.565 0.514 2.100 1.00 0.00 H new ATOM 994 N ARG A 68 -11.968 -2.958 0.662 1.00 0.00 N ATOM 995 CA ARG A 68 -12.757 -4.071 1.163 1.00 0.00 C ATOM 996 C ARG A 68 -12.063 -5.398 0.848 1.00 0.00 C ATOM 997 O ARG A 68 -11.616 -6.099 1.755 1.00 0.00 O ATOM 998 CB ARG A 68 -14.156 -4.076 0.545 1.00 0.00 C ATOM 999 CG ARG A 68 -14.825 -2.707 0.690 1.00 0.00 C ATOM 1000 CD ARG A 68 -15.056 -2.364 2.163 1.00 0.00 C ATOM 1001 NE ARG A 68 -16.450 -1.908 2.364 1.00 0.00 N ATOM 1002 CZ ARG A 68 -17.090 -1.946 3.540 1.00 0.00 C ATOM 1003 NH1 ARG A 68 -16.466 -2.417 4.628 1.00 0.00 N ATOM 1004 NH2 ARG A 68 -18.355 -1.511 3.629 1.00 0.00 N ATOM 0 H ARG A 68 -12.354 -2.498 -0.163 1.00 0.00 H new ATOM 0 HA ARG A 68 -12.849 -3.953 2.243 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -14.090 -4.343 -0.510 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -14.768 -4.837 1.029 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -14.201 -1.942 0.228 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -15.777 -2.705 0.159 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -14.857 -3.238 2.784 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -14.361 -1.585 2.477 1.00 0.00 H new ATOM 0 HE ARG A 68 -16.955 -1.542 1.557 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -15.503 -2.747 4.561 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -16.954 -2.446 5.523 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -18.830 -1.151 2.801 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -18.842 -1.540 4.525 1.00 0.00 H new ATOM 1018 N LYS A 69 -11.995 -5.702 -0.439 1.00 0.00 N ATOM 1019 CA LYS A 69 -11.363 -6.933 -0.885 1.00 0.00 C ATOM 1020 C LYS A 69 -10.171 -7.246 0.021 1.00 0.00 C ATOM 1021 O LYS A 69 -10.140 -8.287 0.675 1.00 0.00 O ATOM 1022 CB LYS A 69 -11.001 -6.842 -2.369 1.00 0.00 C ATOM 1023 CG LYS A 69 -12.176 -7.275 -3.248 1.00 0.00 C ATOM 1024 CD LYS A 69 -13.253 -6.190 -3.296 1.00 0.00 C ATOM 1025 CE LYS A 69 -14.383 -6.581 -4.251 1.00 0.00 C ATOM 1026 NZ LYS A 69 -15.595 -5.778 -3.977 1.00 0.00 N ATOM 0 H LYS A 69 -12.367 -5.118 -1.188 1.00 0.00 H new ATOM 0 HA LYS A 69 -12.056 -7.770 -0.801 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -10.716 -5.819 -2.615 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -10.136 -7.473 -2.575 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -11.822 -7.486 -4.257 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -12.603 -8.200 -2.861 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -13.656 -6.029 -2.296 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -12.810 -5.247 -3.617 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -14.064 -6.429 -5.282 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -14.610 -7.641 -4.141 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -16.352 -6.056 -4.634 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -15.907 -5.944 -2.999 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -15.379 -4.769 -4.105 1.00 0.00 H new ATOM 1040 N LEU A 70 -9.218 -6.325 0.032 1.00 0.00 N ATOM 1041 CA LEU A 70 -8.027 -6.490 0.847 1.00 0.00 C ATOM 1042 C LEU A 70 -8.418 -6.462 2.326 1.00 0.00 C ATOM 1043 O LEU A 70 -8.221 -7.443 3.042 1.00 0.00 O ATOM 1044 CB LEU A 70 -6.971 -5.448 0.470 1.00 0.00 C ATOM 1045 CG LEU A 70 -6.705 -5.274 -1.026 1.00 0.00 C ATOM 1046 CD1 LEU A 70 -5.823 -4.052 -1.287 1.00 0.00 C ATOM 1047 CD2 LEU A 70 -6.111 -6.549 -1.629 1.00 0.00 C ATOM 0 H LEU A 70 -9.247 -5.462 -0.511 1.00 0.00 H new ATOM 0 HA LEU A 70 -7.567 -7.460 0.657 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -7.277 -4.485 0.879 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -6.034 -5.717 0.957 1.00 0.00 H new ATOM 0 HG LEU A 70 -7.658 -5.096 -1.524 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -5.649 -3.951 -2.358 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -6.322 -3.157 -0.914 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -4.869 -4.176 -0.775 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -5.931 -6.399 -2.694 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -5.170 -6.782 -1.132 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -6.808 -7.375 -1.492 1.00 0.00 H new ATOM 1059 N ASP A 71 -8.965 -5.328 2.739 1.00 0.00 N ATOM 1060 CA ASP A 71 -9.386 -5.160 4.119 1.00 0.00 C ATOM 1061 C ASP A 71 -8.747 -6.252 4.980 1.00 0.00 C ATOM 1062 O ASP A 71 -9.408 -7.220 5.353 1.00 0.00 O ATOM 1063 CB ASP A 71 -10.905 -5.284 4.251 1.00 0.00 C ATOM 1064 CG ASP A 71 -11.453 -5.052 5.661 1.00 0.00 C ATOM 1065 OD1 ASP A 71 -11.234 -3.936 6.179 1.00 0.00 O ATOM 1066 OD2 ASP A 71 -12.079 -5.997 6.189 1.00 0.00 O ATOM 0 H ASP A 71 -9.126 -4.517 2.142 1.00 0.00 H new ATOM 0 HA ASP A 71 -9.075 -4.168 4.447 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -11.373 -4.570 3.574 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -11.203 -6.279 3.921 1.00 0.00 H new ATOM 1071 N ASP A 72 -7.468 -6.059 5.270 1.00 0.00 N ATOM 1072 CA ASP A 72 -6.732 -7.016 6.079 1.00 0.00 C ATOM 1073 C ASP A 72 -6.334 -8.211 5.212 1.00 0.00 C ATOM 1074 O ASP A 72 -7.160 -9.075 4.921 1.00 0.00 O ATOM 1075 CB ASP A 72 -7.590 -7.535 7.234 1.00 0.00 C ATOM 1076 CG ASP A 72 -6.823 -7.845 8.521 1.00 0.00 C ATOM 1077 OD1 ASP A 72 -5.587 -7.662 8.503 1.00 0.00 O ATOM 1078 OD2 ASP A 72 -7.490 -8.258 9.494 1.00 0.00 O ATOM 0 H ASP A 72 -6.923 -5.255 4.959 1.00 0.00 H new ATOM 0 HA ASP A 72 -5.853 -6.512 6.481 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -8.359 -6.795 7.456 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -8.103 -8.440 6.908 1.00 0.00 H new ATOM 1083 N THR A 73 -5.067 -8.223 4.823 1.00 0.00 N ATOM 1084 CA THR A 73 -4.549 -9.298 3.994 1.00 0.00 C ATOM 1085 C THR A 73 -3.151 -9.707 4.464 1.00 0.00 C ATOM 1086 O THR A 73 -2.526 -8.999 5.252 1.00 0.00 O ATOM 1087 CB THR A 73 -4.588 -8.834 2.537 1.00 0.00 C ATOM 1088 OG1 THR A 73 -3.995 -7.539 2.569 1.00 0.00 O ATOM 1089 CG2 THR A 73 -6.013 -8.578 2.042 1.00 0.00 C ATOM 0 H THR A 73 -4.384 -7.505 5.067 1.00 0.00 H new ATOM 0 HA THR A 73 -5.163 -10.194 4.081 1.00 0.00 H new ATOM 0 HB THR A 73 -4.113 -9.584 1.905 1.00 0.00 H new ATOM 0 HG1 THR A 73 -3.503 -7.384 1.736 1.00 0.00 H new ATOM 0 HG21 THR A 73 -5.984 -8.251 1.003 1.00 0.00 H new ATOM 0 HG22 THR A 73 -6.595 -9.497 2.117 1.00 0.00 H new ATOM 0 HG23 THR A 73 -6.477 -7.804 2.653 1.00 0.00 H new ATOM 1097 N LYS A 74 -2.702 -10.847 3.960 1.00 0.00 N ATOM 1098 CA LYS A 74 -1.390 -11.358 4.318 1.00 0.00 C ATOM 1099 C LYS A 74 -0.369 -10.910 3.270 1.00 0.00 C ATOM 1100 O LYS A 74 -0.345 -11.435 2.158 1.00 0.00 O ATOM 1101 CB LYS A 74 -1.442 -12.874 4.517 1.00 0.00 C ATOM 1102 CG LYS A 74 -0.060 -13.428 4.871 1.00 0.00 C ATOM 1103 CD LYS A 74 -0.149 -14.898 5.289 1.00 0.00 C ATOM 1104 CE LYS A 74 0.717 -15.778 4.386 1.00 0.00 C ATOM 1105 NZ LYS A 74 1.076 -17.036 5.078 1.00 0.00 N ATOM 0 H LYS A 74 -3.224 -11.431 3.307 1.00 0.00 H new ATOM 0 HA LYS A 74 -1.068 -10.945 5.274 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -2.149 -13.116 5.310 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -1.807 -13.351 3.608 1.00 0.00 H new ATOM 0 HG2 LYS A 74 0.606 -13.330 4.014 1.00 0.00 H new ATOM 0 HG3 LYS A 74 0.374 -12.842 5.681 1.00 0.00 H new ATOM 0 HD2 LYS A 74 0.173 -15.005 6.325 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -1.186 -15.231 5.242 1.00 0.00 H new ATOM 0 HE2 LYS A 74 0.180 -16.003 3.465 1.00 0.00 H new ATOM 0 HE3 LYS A 74 1.622 -15.240 4.104 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 1.664 -17.622 4.451 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 1.607 -16.816 5.945 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 0.210 -17.556 5.325 1.00 0.00 H new ATOM 1119 N PHE A 75 0.448 -9.944 3.662 1.00 0.00 N ATOM 1120 CA PHE A 75 1.468 -9.419 2.770 1.00 0.00 C ATOM 1121 C PHE A 75 2.804 -10.135 2.983 1.00 0.00 C ATOM 1122 O PHE A 75 3.289 -10.228 4.110 1.00 0.00 O ATOM 1123 CB PHE A 75 1.638 -7.937 3.108 1.00 0.00 C ATOM 1124 CG PHE A 75 2.780 -7.253 2.353 1.00 0.00 C ATOM 1125 CD1 PHE A 75 2.792 -7.255 0.993 1.00 0.00 C ATOM 1126 CD2 PHE A 75 3.782 -6.645 3.041 1.00 0.00 C ATOM 1127 CE1 PHE A 75 3.851 -6.620 0.291 1.00 0.00 C ATOM 1128 CE2 PHE A 75 4.842 -6.010 2.340 1.00 0.00 C ATOM 1129 CZ PHE A 75 4.854 -6.012 0.980 1.00 0.00 C ATOM 0 H PHE A 75 0.425 -9.511 4.585 1.00 0.00 H new ATOM 0 HA PHE A 75 1.168 -9.568 1.733 1.00 0.00 H new ATOM 0 HB2 PHE A 75 0.707 -7.415 2.887 1.00 0.00 H new ATOM 0 HB3 PHE A 75 1.813 -7.837 4.179 1.00 0.00 H new ATOM 0 HD1 PHE A 75 1.996 -7.739 0.447 1.00 0.00 H new ATOM 0 HD2 PHE A 75 3.772 -6.645 4.121 1.00 0.00 H new ATOM 0 HE1 PHE A 75 3.860 -6.620 -0.789 1.00 0.00 H new ATOM 0 HE2 PHE A 75 5.638 -5.526 2.887 1.00 0.00 H new ATOM 0 HZ PHE A 75 5.660 -5.531 0.447 1.00 0.00 H new ATOM 1139 N ARG A 76 3.360 -10.622 1.884 1.00 0.00 N ATOM 1140 CA ARG A 76 4.630 -11.327 1.936 1.00 0.00 C ATOM 1141 C ARG A 76 5.783 -10.365 1.644 1.00 0.00 C ATOM 1142 O ARG A 76 5.857 -9.791 0.558 1.00 0.00 O ATOM 1143 CB ARG A 76 4.664 -12.475 0.926 1.00 0.00 C ATOM 1144 CG ARG A 76 5.775 -13.471 1.266 1.00 0.00 C ATOM 1145 CD ARG A 76 5.413 -14.880 0.792 1.00 0.00 C ATOM 1146 NE ARG A 76 6.264 -15.262 -0.357 1.00 0.00 N ATOM 1147 CZ ARG A 76 6.024 -16.312 -1.154 1.00 0.00 C ATOM 1148 NH1 ARG A 76 4.956 -17.090 -0.932 1.00 0.00 N ATOM 1149 NH2 ARG A 76 6.851 -16.583 -2.173 1.00 0.00 N ATOM 0 H ARG A 76 2.954 -10.542 0.951 1.00 0.00 H new ATOM 0 HA ARG A 76 4.741 -11.738 2.939 1.00 0.00 H new ATOM 0 HB2 ARG A 76 3.702 -12.987 0.919 1.00 0.00 H new ATOM 0 HB3 ARG A 76 4.821 -12.078 -0.077 1.00 0.00 H new ATOM 0 HG2 ARG A 76 6.707 -13.155 0.798 1.00 0.00 H new ATOM 0 HG3 ARG A 76 5.945 -13.478 2.343 1.00 0.00 H new ATOM 0 HD2 ARG A 76 5.546 -15.592 1.606 1.00 0.00 H new ATOM 0 HD3 ARG A 76 4.362 -14.917 0.505 1.00 0.00 H new ATOM 0 HE ARG A 76 7.085 -14.690 -0.555 1.00 0.00 H new ATOM 0 HH11 ARG A 76 4.326 -16.883 -0.157 1.00 0.00 H new ATOM 0 HH12 ARG A 76 4.773 -17.889 -1.538 1.00 0.00 H new ATOM 0 HH21 ARG A 76 7.663 -15.990 -2.342 1.00 0.00 H new ATOM 0 HH22 ARG A 76 6.668 -17.382 -2.780 1.00 0.00 H new ATOM 1163 N SER A 77 6.654 -10.218 2.631 1.00 0.00 N ATOM 1164 CA SER A 77 7.800 -9.336 2.493 1.00 0.00 C ATOM 1165 C SER A 77 8.803 -9.931 1.504 1.00 0.00 C ATOM 1166 O SER A 77 8.696 -11.099 1.132 1.00 0.00 O ATOM 1167 CB SER A 77 8.471 -9.089 3.846 1.00 0.00 C ATOM 1168 OG SER A 77 9.105 -10.262 4.349 1.00 0.00 O ATOM 0 H SER A 77 6.589 -10.695 3.530 1.00 0.00 H new ATOM 0 HA SER A 77 7.449 -8.377 2.111 1.00 0.00 H new ATOM 0 HB2 SER A 77 9.209 -8.293 3.745 1.00 0.00 H new ATOM 0 HB3 SER A 77 7.726 -8.744 4.563 1.00 0.00 H new ATOM 0 HG SER A 77 9.950 -10.018 4.780 1.00 0.00 H new ATOM 1174 N HIS A 78 9.756 -9.102 1.105 1.00 0.00 N ATOM 1175 CA HIS A 78 10.778 -9.532 0.165 1.00 0.00 C ATOM 1176 C HIS A 78 11.702 -10.547 0.841 1.00 0.00 C ATOM 1177 O HIS A 78 12.467 -11.238 0.171 1.00 0.00 O ATOM 1178 CB HIS A 78 11.533 -8.329 -0.404 1.00 0.00 C ATOM 1179 CG HIS A 78 12.902 -8.664 -0.945 1.00 0.00 C ATOM 1180 ND1 HIS A 78 13.988 -9.226 -0.339 1.00 0.00 N flip ATOM 1181 CD2 HIS A 78 13.270 -8.420 -2.257 1.00 0.00 C flip ATOM 1182 CE1 HIS A 78 14.965 -9.321 -1.233 1.00 0.00 C flip ATOM 1183 NE2 HIS A 78 14.522 -8.821 -2.422 1.00 0.00 N flip ATOM 0 H HIS A 78 9.842 -8.134 1.415 1.00 0.00 H new ATOM 0 HA HIS A 78 10.310 -10.029 -0.685 1.00 0.00 H new ATOM 0 HB2 HIS A 78 10.938 -7.883 -1.201 1.00 0.00 H new ATOM 0 HB3 HIS A 78 11.636 -7.575 0.377 1.00 0.00 H new ATOM 0 HD2 HIS A 78 12.643 -7.978 -3.017 1.00 0.00 H new ATOM 0 HE1 HIS A 78 15.949 -9.727 -1.049 1.00 0.00 H new ATOM 0 HE2 HIS A 78 15.060 -8.765 -3.287 1.00 0.00 H new ATOM 1191 N GLU A 79 11.600 -10.604 2.161 1.00 0.00 N ATOM 1192 CA GLU A 79 12.418 -11.523 2.935 1.00 0.00 C ATOM 1193 C GLU A 79 11.658 -12.827 3.186 1.00 0.00 C ATOM 1194 O GLU A 79 12.201 -13.764 3.768 1.00 0.00 O ATOM 1195 CB GLU A 79 12.861 -10.885 4.253 1.00 0.00 C ATOM 1196 CG GLU A 79 14.305 -10.386 4.163 1.00 0.00 C ATOM 1197 CD GLU A 79 15.294 -11.507 4.489 1.00 0.00 C ATOM 1198 OE1 GLU A 79 14.972 -12.665 4.146 1.00 0.00 O ATOM 1199 OE2 GLU A 79 16.349 -11.181 5.074 1.00 0.00 O ATOM 0 H GLU A 79 10.964 -10.029 2.714 1.00 0.00 H new ATOM 0 HA GLU A 79 13.315 -11.753 2.360 1.00 0.00 H new ATOM 0 HB2 GLU A 79 12.200 -10.054 4.499 1.00 0.00 H new ATOM 0 HB3 GLU A 79 12.773 -11.612 5.061 1.00 0.00 H new ATOM 0 HG2 GLU A 79 14.500 -10.004 3.161 1.00 0.00 H new ATOM 0 HG3 GLU A 79 14.450 -9.556 4.854 1.00 0.00 H new ATOM 1206 N GLY A 80 10.413 -12.845 2.733 1.00 0.00 N ATOM 1207 CA GLY A 80 9.573 -14.019 2.900 1.00 0.00 C ATOM 1208 C GLY A 80 8.553 -13.808 4.021 1.00 0.00 C ATOM 1209 O GLY A 80 7.404 -14.233 3.907 1.00 0.00 O ATOM 0 H GLY A 80 9.966 -12.066 2.251 1.00 0.00 H new ATOM 0 HA2 GLY A 80 9.053 -14.235 1.966 1.00 0.00 H new ATOM 0 HA3 GLY A 80 10.194 -14.886 3.127 1.00 0.00 H new ATOM 1213 N GLU A 81 9.009 -13.152 5.077 1.00 0.00 N ATOM 1214 CA GLU A 81 8.151 -12.879 6.217 1.00 0.00 C ATOM 1215 C GLU A 81 6.761 -12.447 5.744 1.00 0.00 C ATOM 1216 O GLU A 81 6.597 -12.009 4.606 1.00 0.00 O ATOM 1217 CB GLU A 81 8.772 -11.821 7.131 1.00 0.00 C ATOM 1218 CG GLU A 81 9.859 -12.432 8.018 1.00 0.00 C ATOM 1219 CD GLU A 81 10.700 -11.341 8.685 1.00 0.00 C ATOM 1220 OE1 GLU A 81 11.609 -10.826 7.999 1.00 0.00 O ATOM 1221 OE2 GLU A 81 10.414 -11.048 9.866 1.00 0.00 O ATOM 0 H GLU A 81 9.962 -12.801 5.167 1.00 0.00 H new ATOM 0 HA GLU A 81 8.048 -13.796 6.796 1.00 0.00 H new ATOM 0 HB2 GLU A 81 9.198 -11.019 6.528 1.00 0.00 H new ATOM 0 HB3 GLU A 81 7.998 -11.374 7.754 1.00 0.00 H new ATOM 0 HG2 GLU A 81 9.400 -13.060 8.781 1.00 0.00 H new ATOM 0 HG3 GLU A 81 10.502 -13.077 7.419 1.00 0.00 H new ATOM 1228 N THR A 82 5.796 -12.586 6.641 1.00 0.00 N ATOM 1229 CA THR A 82 4.426 -12.216 6.329 1.00 0.00 C ATOM 1230 C THR A 82 3.794 -11.470 7.507 1.00 0.00 C ATOM 1231 O THR A 82 4.233 -11.616 8.646 1.00 0.00 O ATOM 1232 CB THR A 82 3.670 -13.487 5.939 1.00 0.00 C ATOM 1233 OG1 THR A 82 3.970 -14.405 6.987 1.00 0.00 O ATOM 1234 CG2 THR A 82 4.246 -14.150 4.687 1.00 0.00 C ATOM 0 H THR A 82 5.936 -12.950 7.584 1.00 0.00 H new ATOM 0 HA THR A 82 4.385 -11.525 5.487 1.00 0.00 H new ATOM 0 HB THR A 82 2.620 -13.247 5.772 1.00 0.00 H new ATOM 0 HG1 THR A 82 3.518 -15.257 6.815 1.00 0.00 H new ATOM 0 HG21 THR A 82 3.673 -15.047 4.454 1.00 0.00 H new ATOM 0 HG22 THR A 82 4.189 -13.456 3.849 1.00 0.00 H new ATOM 0 HG23 THR A 82 5.287 -14.420 4.865 1.00 0.00 H new ATOM 1242 N SER A 83 2.774 -10.686 7.190 1.00 0.00 N ATOM 1243 CA SER A 83 2.077 -9.917 8.207 1.00 0.00 C ATOM 1244 C SER A 83 0.697 -9.502 7.695 1.00 0.00 C ATOM 1245 O SER A 83 0.443 -9.529 6.492 1.00 0.00 O ATOM 1246 CB SER A 83 2.885 -8.684 8.615 1.00 0.00 C ATOM 1247 OG SER A 83 3.227 -7.875 7.493 1.00 0.00 O ATOM 0 H SER A 83 2.414 -10.567 6.243 1.00 0.00 H new ATOM 0 HA SER A 83 1.956 -10.546 9.089 1.00 0.00 H new ATOM 0 HB2 SER A 83 2.309 -8.092 9.327 1.00 0.00 H new ATOM 0 HB3 SER A 83 3.795 -8.999 9.125 1.00 0.00 H new ATOM 0 HG SER A 83 2.784 -7.004 7.570 1.00 0.00 H new ATOM 1253 N TYR A 84 -0.159 -9.127 8.635 1.00 0.00 N ATOM 1254 CA TYR A 84 -1.508 -8.707 8.293 1.00 0.00 C ATOM 1255 C TYR A 84 -1.592 -7.184 8.168 1.00 0.00 C ATOM 1256 O TYR A 84 -1.455 -6.468 9.158 1.00 0.00 O ATOM 1257 CB TYR A 84 -2.397 -9.161 9.453 1.00 0.00 C ATOM 1258 CG TYR A 84 -3.375 -10.278 9.085 1.00 0.00 C ATOM 1259 CD1 TYR A 84 -3.021 -11.224 8.144 1.00 0.00 C ATOM 1260 CD2 TYR A 84 -4.612 -10.341 9.695 1.00 0.00 C ATOM 1261 CE1 TYR A 84 -3.942 -12.276 7.799 1.00 0.00 C ATOM 1262 CE2 TYR A 84 -5.533 -11.393 9.349 1.00 0.00 C ATOM 1263 CZ TYR A 84 -5.152 -12.308 8.418 1.00 0.00 C ATOM 1264 OH TYR A 84 -6.022 -13.302 8.092 1.00 0.00 O ATOM 0 H TYR A 84 0.055 -9.105 9.632 1.00 0.00 H new ATOM 0 HA TYR A 84 -1.814 -9.136 7.339 1.00 0.00 H new ATOM 0 HB2 TYR A 84 -1.763 -9.502 10.272 1.00 0.00 H new ATOM 0 HB3 TYR A 84 -2.961 -8.305 9.822 1.00 0.00 H new ATOM 0 HD1 TYR A 84 -2.053 -11.175 7.667 1.00 0.00 H new ATOM 0 HD2 TYR A 84 -4.889 -9.601 10.432 1.00 0.00 H new ATOM 0 HE1 TYR A 84 -3.677 -13.023 7.065 1.00 0.00 H new ATOM 0 HE2 TYR A 84 -6.504 -11.454 9.818 1.00 0.00 H new ATOM 0 HH TYR A 84 -6.846 -13.200 8.613 1.00 0.00 H new ATOM 1274 N ILE A 85 -1.817 -6.735 6.942 1.00 0.00 N ATOM 1275 CA ILE A 85 -1.921 -5.311 6.674 1.00 0.00 C ATOM 1276 C ILE A 85 -3.384 -4.951 6.410 1.00 0.00 C ATOM 1277 O ILE A 85 -4.053 -5.606 5.612 1.00 0.00 O ATOM 1278 CB ILE A 85 -0.974 -4.908 5.542 1.00 0.00 C ATOM 1279 CG1 ILE A 85 -1.309 -5.662 4.253 1.00 0.00 C ATOM 1280 CG2 ILE A 85 0.487 -5.098 5.954 1.00 0.00 C ATOM 1281 CD1 ILE A 85 -0.965 -4.823 3.021 1.00 0.00 C ATOM 0 H ILE A 85 -1.930 -7.332 6.123 1.00 0.00 H new ATOM 0 HA ILE A 85 -1.603 -4.736 7.544 1.00 0.00 H new ATOM 0 HB ILE A 85 -1.115 -3.846 5.341 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -0.757 -6.601 4.223 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -2.369 -5.915 4.241 1.00 0.00 H new ATOM 0 HG21 ILE A 85 1.138 -4.804 5.131 1.00 0.00 H new ATOM 0 HG22 ILE A 85 0.703 -4.480 6.826 1.00 0.00 H new ATOM 0 HG23 ILE A 85 0.663 -6.145 6.199 1.00 0.00 H new ATOM 0 HD11 ILE A 85 -1.213 -5.382 2.119 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -1.537 -3.895 3.041 1.00 0.00 H new ATOM 0 HD13 ILE A 85 0.100 -4.593 3.024 1.00 0.00 H new ATOM 1293 N ARG A 86 -3.839 -3.912 7.095 1.00 0.00 N ATOM 1294 CA ARG A 86 -5.211 -3.458 6.944 1.00 0.00 C ATOM 1295 C ARG A 86 -5.302 -2.404 5.838 1.00 0.00 C ATOM 1296 O ARG A 86 -4.326 -1.711 5.554 1.00 0.00 O ATOM 1297 CB ARG A 86 -5.741 -2.865 8.250 1.00 0.00 C ATOM 1298 CG ARG A 86 -6.444 -3.932 9.091 1.00 0.00 C ATOM 1299 CD ARG A 86 -7.927 -4.030 8.725 1.00 0.00 C ATOM 1300 NE ARG A 86 -8.755 -3.989 9.951 1.00 0.00 N ATOM 1301 CZ ARG A 86 -8.925 -2.894 10.705 1.00 0.00 C ATOM 1302 NH1 ARG A 86 -8.326 -1.745 10.364 1.00 0.00 N ATOM 1303 NH2 ARG A 86 -9.695 -2.949 11.801 1.00 0.00 N ATOM 0 H ARG A 86 -3.281 -3.371 7.756 1.00 0.00 H new ATOM 0 HA ARG A 86 -5.820 -4.322 6.678 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -4.917 -2.433 8.818 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -6.436 -2.054 8.030 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -5.963 -4.898 8.936 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -6.342 -3.692 10.149 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -8.202 -3.209 8.063 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -8.115 -4.955 8.180 1.00 0.00 H new ATOM 0 HE ARG A 86 -9.225 -4.847 10.240 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -7.740 -1.703 9.530 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -8.456 -0.912 10.938 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -10.151 -3.824 12.061 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -9.825 -2.116 12.375 1.00 0.00 H new ATOM 1317 N VAL A 87 -6.483 -2.316 5.245 1.00 0.00 N ATOM 1318 CA VAL A 87 -6.715 -1.358 4.177 1.00 0.00 C ATOM 1319 C VAL A 87 -7.907 -0.471 4.543 1.00 0.00 C ATOM 1320 O VAL A 87 -9.028 -0.959 4.684 1.00 0.00 O ATOM 1321 CB VAL A 87 -6.901 -2.091 2.848 1.00 0.00 C ATOM 1322 CG1 VAL A 87 -6.586 -1.172 1.666 1.00 0.00 C ATOM 1323 CG2 VAL A 87 -6.048 -3.360 2.797 1.00 0.00 C ATOM 0 H VAL A 87 -7.290 -2.892 5.484 1.00 0.00 H new ATOM 0 HA VAL A 87 -5.850 -0.706 4.055 1.00 0.00 H new ATOM 0 HB VAL A 87 -7.947 -2.387 2.773 1.00 0.00 H new ATOM 0 HG11 VAL A 87 -6.726 -1.718 0.733 1.00 0.00 H new ATOM 0 HG12 VAL A 87 -7.254 -0.311 1.686 1.00 0.00 H new ATOM 0 HG13 VAL A 87 -5.553 -0.831 1.735 1.00 0.00 H new ATOM 0 HG21 VAL A 87 -6.199 -3.862 1.841 1.00 0.00 H new ATOM 0 HG22 VAL A 87 -4.996 -3.096 2.906 1.00 0.00 H new ATOM 0 HG23 VAL A 87 -6.340 -4.028 3.608 1.00 0.00 H new ATOM 1333 N TYR A 88 -7.625 0.815 4.687 1.00 0.00 N ATOM 1334 CA TYR A 88 -8.661 1.774 5.033 1.00 0.00 C ATOM 1335 C TYR A 88 -8.407 3.123 4.358 1.00 0.00 C ATOM 1336 O TYR A 88 -7.277 3.430 3.981 1.00 0.00 O ATOM 1337 CB TYR A 88 -8.578 1.953 6.550 1.00 0.00 C ATOM 1338 CG TYR A 88 -7.200 2.386 7.052 1.00 0.00 C ATOM 1339 CD1 TYR A 88 -6.159 1.480 7.079 1.00 0.00 C ATOM 1340 CD2 TYR A 88 -6.996 3.683 7.478 1.00 0.00 C ATOM 1341 CE1 TYR A 88 -4.861 1.888 7.551 1.00 0.00 C ATOM 1342 CE2 TYR A 88 -5.698 4.091 7.950 1.00 0.00 C ATOM 1343 CZ TYR A 88 -4.695 3.173 7.963 1.00 0.00 C ATOM 1344 OH TYR A 88 -3.469 3.558 8.409 1.00 0.00 O ATOM 0 H TYR A 88 -6.694 1.216 4.571 1.00 0.00 H new ATOM 0 HA TYR A 88 -9.638 1.419 4.706 1.00 0.00 H new ATOM 0 HB2 TYR A 88 -9.315 2.694 6.859 1.00 0.00 H new ATOM 0 HB3 TYR A 88 -8.850 1.014 7.032 1.00 0.00 H new ATOM 0 HD1 TYR A 88 -6.318 0.465 6.746 1.00 0.00 H new ATOM 0 HD2 TYR A 88 -7.810 4.392 7.457 1.00 0.00 H new ATOM 0 HE1 TYR A 88 -4.038 1.189 7.577 1.00 0.00 H new ATOM 0 HE2 TYR A 88 -5.525 5.103 8.286 1.00 0.00 H new ATOM 0 HH TYR A 88 -3.497 4.502 8.669 1.00 0.00 H new ATOM 1354 N PRO A 89 -9.505 3.913 4.221 1.00 0.00 N ATOM 1355 CA PRO A 89 -9.412 5.223 3.598 1.00 0.00 C ATOM 1356 C PRO A 89 -8.759 6.234 4.542 1.00 0.00 C ATOM 1357 O PRO A 89 -8.614 5.972 5.735 1.00 0.00 O ATOM 1358 CB PRO A 89 -10.842 5.587 3.234 1.00 0.00 C ATOM 1359 CG PRO A 89 -11.730 4.687 4.079 1.00 0.00 C ATOM 1360 CD PRO A 89 -10.859 3.583 4.655 1.00 0.00 C ATOM 0 HA PRO A 89 -8.777 5.224 2.712 1.00 0.00 H new ATOM 0 HB2 PRO A 89 -11.042 6.638 3.441 1.00 0.00 H new ATOM 0 HB3 PRO A 89 -11.026 5.431 2.171 1.00 0.00 H new ATOM 0 HG2 PRO A 89 -12.202 5.258 4.879 1.00 0.00 H new ATOM 0 HG3 PRO A 89 -12.532 4.264 3.474 1.00 0.00 H new ATOM 0 HD2 PRO A 89 -10.929 3.550 5.742 1.00 0.00 H new ATOM 0 HD3 PRO A 89 -11.165 2.604 4.286 1.00 0.00 H new ATOM 1368 N GLU A 90 -8.382 7.369 3.972 1.00 0.00 N ATOM 1369 CA GLU A 90 -7.748 8.422 4.748 1.00 0.00 C ATOM 1370 C GLU A 90 -8.794 9.183 5.565 1.00 0.00 C ATOM 1371 O GLU A 90 -9.994 9.028 5.343 1.00 0.00 O ATOM 1372 CB GLU A 90 -6.962 9.372 3.842 1.00 0.00 C ATOM 1373 CG GLU A 90 -5.710 9.894 4.550 1.00 0.00 C ATOM 1374 CD GLU A 90 -5.653 11.422 4.508 1.00 0.00 C ATOM 1375 OE1 GLU A 90 -6.519 12.041 5.163 1.00 0.00 O ATOM 1376 OE2 GLU A 90 -4.744 11.937 3.821 1.00 0.00 O ATOM 0 H GLU A 90 -8.503 7.583 2.982 1.00 0.00 H new ATOM 0 HA GLU A 90 -7.041 7.962 5.439 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -6.677 8.854 2.926 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -7.595 10.210 3.551 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -5.706 9.555 5.586 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -4.820 9.480 4.075 1.00 0.00 H new