USER MOD reduce.3.24.130724 H: found=0, std=0, add=550, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 550 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 38 TYR OH : rot 150:sc= 0 USER MOD Set 1.2: A 84 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Set 2.1: A 57 MET CE :methyl 158:sc= -0.81 (180deg=-1.82!) USER MOD Set 2.2: A 65 CYS SG : rot -88:sc= -0.129 USER MOD Set 3.1: A 25 GLN : amide:sc= -0.272 K(o=0.62,f=-1.1) USER MOD Set 3.2: A 63 CYS SG : rot -23:sc= 0.895 USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 23 GLN : amide:sc=-0.00998 K(o=-0.01,f=-0.74) USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 GLN : amide:sc= -1.53 K(o=-1.5,f=-2.6!) USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 39 GLN : amide:sc= -1.71 K(o=-1.7,f=-5.8!) USER MOD Single : A 42 LYS NZ :NH3+ 150:sc= 0.172 (180deg=-0.26) USER MOD Single : A 43 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 TYR OH : rot -30:sc= -3.04! USER MOD Single : A 48 SER OG : rot 64:sc= 0.324 USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 55 CYS SG : rot 70:sc= -3.68! USER MOD Single : A 61 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 ASN : amide:sc= -0.108 K(o=-0.11,f=-1.5!) USER MOD Single : A 80 GLN : amide:sc= -0.512 X(o=-0.51,f=-0.35) USER MOD Single : A 82 HIS : no HD1:sc= -0.319 X(o=-0.32,f=-0.37) USER MOD ----------------------------------------------------------------- ATOM 203 N ALA A 17 -3.752 11.730 27.265 1.00 0.00 N ATOM 204 CA ALA A 17 -4.179 12.812 26.387 1.00 0.00 C ATOM 205 C ALA A 17 -4.616 14.032 27.191 1.00 0.00 C ATOM 206 O ALA A 17 -5.325 13.908 28.190 1.00 0.00 O ATOM 207 CB ALA A 17 -5.309 12.342 25.482 1.00 0.00 C ATOM 0 HA ALA A 17 -3.329 13.102 25.769 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -5.618 13.160 24.831 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -4.964 11.505 24.874 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -6.155 12.023 26.091 1.00 0.00 H new ATOM 213 N SER A 18 -4.188 15.211 26.749 1.00 0.00 N ATOM 214 CA SER A 18 -4.531 16.453 27.431 1.00 0.00 C ATOM 215 C SER A 18 -6.041 16.672 27.433 1.00 0.00 C ATOM 216 O SER A 18 -6.565 17.452 28.229 1.00 0.00 O ATOM 217 CB SER A 18 -3.834 17.638 26.759 1.00 0.00 C ATOM 218 OG SER A 18 -2.443 17.631 27.029 1.00 0.00 O ATOM 0 H SER A 18 -3.603 15.332 25.922 1.00 0.00 H new ATOM 0 HA SER A 18 -4.190 16.378 28.464 1.00 0.00 H new ATOM 0 HB2 SER A 18 -3.999 17.598 25.682 1.00 0.00 H new ATOM 0 HB3 SER A 18 -4.272 18.571 27.114 1.00 0.00 H new ATOM 0 HG SER A 18 -2.020 18.397 26.587 1.00 0.00 H new ATOM 224 N TRP A 19 -6.734 15.978 26.538 1.00 0.00 N ATOM 225 CA TRP A 19 -8.185 16.095 26.437 1.00 0.00 C ATOM 226 C TRP A 19 -8.869 14.816 26.904 1.00 0.00 C ATOM 227 O TRP A 19 -10.038 14.578 26.599 1.00 0.00 O ATOM 228 CB TRP A 19 -8.592 16.409 24.996 1.00 0.00 C ATOM 229 CG TRP A 19 -7.871 15.574 23.980 1.00 0.00 C ATOM 230 CD1 TRP A 19 -6.711 15.892 23.333 1.00 0.00 C ATOM 231 CD2 TRP A 19 -8.264 14.286 23.495 1.00 0.00 C ATOM 232 NE1 TRP A 19 -6.360 14.878 22.474 1.00 0.00 N ATOM 233 CE2 TRP A 19 -7.295 13.881 22.556 1.00 0.00 C ATOM 234 CE3 TRP A 19 -9.338 13.434 23.764 1.00 0.00 C ATOM 235 CZ2 TRP A 19 -7.372 12.663 21.886 1.00 0.00 C ATOM 236 CZ3 TRP A 19 -9.413 12.225 23.098 1.00 0.00 C ATOM 237 CH2 TRP A 19 -8.435 11.849 22.168 1.00 0.00 C ATOM 0 H TRP A 19 -6.316 15.329 25.872 1.00 0.00 H new ATOM 0 HA TRP A 19 -8.505 16.912 27.084 1.00 0.00 H new ATOM 0 HB2 TRP A 19 -9.665 16.254 24.887 1.00 0.00 H new ATOM 0 HB3 TRP A 19 -8.399 17.462 24.793 1.00 0.00 H new ATOM 0 HD1 TRP A 19 -6.152 16.805 23.475 1.00 0.00 H new ATOM 0 HE1 TRP A 19 -5.536 14.870 21.873 1.00 0.00 H new ATOM 0 HE3 TRP A 19 -10.096 13.715 24.480 1.00 0.00 H new ATOM 0 HZ2 TRP A 19 -6.619 12.371 21.169 1.00 0.00 H new ATOM 0 HZ3 TRP A 19 -10.239 11.559 23.298 1.00 0.00 H new ATOM 0 HH2 TRP A 19 -8.522 10.898 21.664 1.00 0.00 H new ATOM 248 N LEU A 20 -8.134 13.994 27.646 1.00 0.00 N ATOM 249 CA LEU A 20 -8.671 12.738 28.157 1.00 0.00 C ATOM 250 C LEU A 20 -8.930 12.826 29.657 1.00 0.00 C ATOM 251 O LEU A 20 -8.018 13.084 30.442 1.00 0.00 O ATOM 252 CB LEU A 20 -7.703 11.590 27.862 1.00 0.00 C ATOM 253 CG LEU A 20 -8.095 10.661 26.713 1.00 0.00 C ATOM 254 CD1 LEU A 20 -7.047 9.576 26.522 1.00 0.00 C ATOM 255 CD2 LEU A 20 -9.463 10.044 26.968 1.00 0.00 C ATOM 0 H LEU A 20 -7.165 14.175 27.907 1.00 0.00 H new ATOM 0 HA LEU A 20 -9.619 12.545 27.654 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -6.724 12.015 27.642 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -7.595 10.991 28.766 1.00 0.00 H new ATOM 0 HG LEU A 20 -8.149 11.251 25.798 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -7.343 8.925 25.700 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -6.085 10.035 26.293 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -6.960 8.989 27.436 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -9.725 9.386 26.140 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -9.436 9.469 27.894 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -10.209 10.835 27.053 1.00 0.00 H new ATOM 267 N GLY A 21 -10.182 12.608 30.050 1.00 0.00 N ATOM 268 CA GLY A 21 -10.539 12.666 31.456 1.00 0.00 C ATOM 269 C GLY A 21 -11.468 13.821 31.771 1.00 0.00 C ATOM 270 O GLY A 21 -12.137 13.823 32.804 1.00 0.00 O ATOM 0 H GLY A 21 -10.955 12.392 29.420 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -11.017 11.730 31.745 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -9.633 12.759 32.054 1.00 0.00 H new ATOM 274 N GLU A 22 -11.508 14.807 30.880 1.00 0.00 N ATOM 275 CA GLU A 22 -12.361 15.974 31.071 1.00 0.00 C ATOM 276 C GLU A 22 -13.337 16.131 29.908 1.00 0.00 C ATOM 277 O GLU A 22 -12.996 15.856 28.758 1.00 0.00 O ATOM 278 CB GLU A 22 -11.510 17.238 31.210 1.00 0.00 C ATOM 279 CG GLU A 22 -12.278 18.432 31.750 1.00 0.00 C ATOM 280 CD GLU A 22 -12.711 18.245 33.191 1.00 0.00 C ATOM 281 OE1 GLU A 22 -11.889 18.503 34.095 1.00 0.00 O ATOM 282 OE2 GLU A 22 -13.871 17.839 33.414 1.00 0.00 O ATOM 0 H GLU A 22 -10.960 14.821 30.020 1.00 0.00 H new ATOM 0 HA GLU A 22 -12.934 15.827 31.987 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -10.669 17.029 31.871 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -11.094 17.495 30.236 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -11.656 19.324 31.675 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -13.158 18.604 31.130 1.00 0.00 H new ATOM 289 N GLN A 23 -14.551 16.573 30.218 1.00 0.00 N ATOM 290 CA GLN A 23 -15.577 16.765 29.200 1.00 0.00 C ATOM 291 C GLN A 23 -15.119 17.770 28.148 1.00 0.00 C ATOM 292 O GLN A 23 -14.207 18.566 28.371 1.00 0.00 O ATOM 293 CB GLN A 23 -16.881 17.241 29.843 1.00 0.00 C ATOM 294 CG GLN A 23 -17.776 16.106 30.315 1.00 0.00 C ATOM 295 CD GLN A 23 -18.953 16.594 31.137 1.00 0.00 C ATOM 296 OE1 GLN A 23 -18.831 17.541 31.914 1.00 0.00 O ATOM 297 NE2 GLN A 23 -20.101 15.948 30.969 1.00 0.00 N ATOM 0 H GLN A 23 -14.848 16.805 31.166 1.00 0.00 H new ATOM 0 HA GLN A 23 -15.750 15.807 28.710 1.00 0.00 H new ATOM 0 HB2 GLN A 23 -16.645 17.883 30.691 1.00 0.00 H new ATOM 0 HB3 GLN A 23 -17.429 17.850 29.125 1.00 0.00 H new ATOM 0 HG2 GLN A 23 -18.145 15.556 29.450 1.00 0.00 H new ATOM 0 HG3 GLN A 23 -17.187 15.407 30.909 1.00 0.00 H new ATOM 0 HE21 GLN A 23 -20.156 15.168 30.314 1.00 0.00 H new ATOM 0 HE22 GLN A 23 -20.928 16.232 31.495 1.00 0.00 H new ATOM 306 N PRO A 24 -15.765 17.734 26.974 1.00 0.00 N ATOM 307 CA PRO A 24 -15.441 18.635 25.864 1.00 0.00 C ATOM 308 C PRO A 24 -15.843 20.078 26.152 1.00 0.00 C ATOM 309 O PRO A 24 -15.502 20.988 25.398 1.00 0.00 O ATOM 310 CB PRO A 24 -16.261 18.074 24.700 1.00 0.00 C ATOM 311 CG PRO A 24 -17.399 17.363 25.347 1.00 0.00 C ATOM 312 CD PRO A 24 -16.862 16.811 26.638 1.00 0.00 C ATOM 0 HA PRO A 24 -14.369 18.672 25.669 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -16.613 18.870 24.044 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -15.667 17.396 24.088 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -18.231 18.043 25.529 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -17.775 16.564 24.707 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -17.625 16.794 27.416 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -16.504 15.788 26.520 1.00 0.00 H new ATOM 320 N GLN A 25 -16.568 20.277 27.248 1.00 0.00 N ATOM 321 CA GLN A 25 -17.016 21.610 27.634 1.00 0.00 C ATOM 322 C GLN A 25 -15.935 22.340 28.425 1.00 0.00 C ATOM 323 O GLN A 25 -15.901 23.570 28.460 1.00 0.00 O ATOM 324 CB GLN A 25 -18.298 21.519 28.464 1.00 0.00 C ATOM 325 CG GLN A 25 -19.330 20.564 27.887 1.00 0.00 C ATOM 326 CD GLN A 25 -20.729 21.147 27.886 1.00 0.00 C ATOM 327 OE1 GLN A 25 -20.917 22.339 27.638 1.00 0.00 O ATOM 328 NE2 GLN A 25 -21.721 20.309 28.164 1.00 0.00 N ATOM 0 H GLN A 25 -16.857 19.533 27.884 1.00 0.00 H new ATOM 0 HA GLN A 25 -17.219 22.175 26.725 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -18.045 21.199 29.475 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -18.740 22.512 28.545 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -19.048 20.304 26.867 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -19.326 19.639 28.464 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -21.520 19.329 28.364 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -22.684 20.645 28.178 1.00 0.00 H new ATOM 337 N PHE A 26 -15.054 21.574 29.059 1.00 0.00 N ATOM 338 CA PHE A 26 -13.972 22.147 29.850 1.00 0.00 C ATOM 339 C PHE A 26 -12.622 21.911 29.179 1.00 0.00 C ATOM 340 O PHE A 26 -11.658 21.503 29.826 1.00 0.00 O ATOM 341 CB PHE A 26 -13.966 21.546 31.257 1.00 0.00 C ATOM 342 CG PHE A 26 -15.265 21.725 31.990 1.00 0.00 C ATOM 343 CD1 PHE A 26 -16.307 20.831 31.808 1.00 0.00 C ATOM 344 CD2 PHE A 26 -15.442 22.788 32.862 1.00 0.00 C ATOM 345 CE1 PHE A 26 -17.503 20.994 32.481 1.00 0.00 C ATOM 346 CE2 PHE A 26 -16.636 22.955 33.538 1.00 0.00 C ATOM 347 CZ PHE A 26 -17.668 22.057 33.348 1.00 0.00 C ATOM 0 H PHE A 26 -15.068 20.554 29.040 1.00 0.00 H new ATOM 0 HA PHE A 26 -14.139 23.222 29.922 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -13.740 20.482 31.188 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -13.165 22.005 31.836 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -16.184 19.997 31.133 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -14.638 23.493 33.015 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -18.308 20.291 32.329 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -16.762 23.787 34.215 1.00 0.00 H new ATOM 0 HZ PHE A 26 -18.601 22.185 33.876 1.00 0.00 H new ATOM 357 N TRP A 27 -12.562 22.170 27.877 1.00 0.00 N ATOM 358 CA TRP A 27 -11.331 21.984 27.117 1.00 0.00 C ATOM 359 C TRP A 27 -10.591 23.307 26.950 1.00 0.00 C ATOM 360 O TRP A 27 -11.176 24.379 27.096 1.00 0.00 O ATOM 361 CB TRP A 27 -11.641 21.382 25.746 1.00 0.00 C ATOM 362 CG TRP A 27 -11.774 19.890 25.769 1.00 0.00 C ATOM 363 CD1 TRP A 27 -11.782 19.084 26.872 1.00 0.00 C ATOM 364 CD2 TRP A 27 -11.917 19.024 24.637 1.00 0.00 C ATOM 365 NE1 TRP A 27 -11.920 17.771 26.494 1.00 0.00 N ATOM 366 CE2 TRP A 27 -12.006 17.707 25.128 1.00 0.00 C ATOM 367 CE3 TRP A 27 -11.980 19.234 23.257 1.00 0.00 C ATOM 368 CZ2 TRP A 27 -12.154 16.608 24.287 1.00 0.00 C ATOM 369 CZ3 TRP A 27 -12.126 18.142 22.423 1.00 0.00 C ATOM 370 CH2 TRP A 27 -12.212 16.842 22.940 1.00 0.00 C ATOM 0 H TRP A 27 -13.351 22.509 27.326 1.00 0.00 H new ATOM 0 HA TRP A 27 -10.690 21.298 27.671 1.00 0.00 H new ATOM 0 HB2 TRP A 27 -12.566 21.816 25.367 1.00 0.00 H new ATOM 0 HB3 TRP A 27 -10.850 21.658 25.049 1.00 0.00 H new ATOM 0 HD1 TRP A 27 -11.693 19.429 27.892 1.00 0.00 H new ATOM 0 HE1 TRP A 27 -11.953 16.972 27.128 1.00 0.00 H new ATOM 0 HE3 TRP A 27 -11.916 20.232 22.849 1.00 0.00 H new ATOM 0 HZ2 TRP A 27 -12.221 15.606 24.684 1.00 0.00 H new ATOM 0 HZ3 TRP A 27 -12.175 18.293 21.355 1.00 0.00 H new ATOM 0 HH2 TRP A 27 -12.326 16.009 22.262 1.00 0.00 H new ATOM 381 N SER A 28 -9.300 23.222 26.643 1.00 0.00 N ATOM 382 CA SER A 28 -8.479 24.413 26.460 1.00 0.00 C ATOM 383 C SER A 28 -8.189 24.651 24.981 1.00 0.00 C ATOM 384 O SER A 28 -8.382 23.765 24.148 1.00 0.00 O ATOM 385 CB SER A 28 -7.166 24.277 27.233 1.00 0.00 C ATOM 386 OG SER A 28 -6.639 25.548 27.572 1.00 0.00 O ATOM 0 H SER A 28 -8.801 22.342 26.516 1.00 0.00 H new ATOM 0 HA SER A 28 -9.033 25.269 26.846 1.00 0.00 H new ATOM 0 HB2 SER A 28 -7.333 23.696 28.140 1.00 0.00 H new ATOM 0 HB3 SER A 28 -6.441 23.728 26.631 1.00 0.00 H new ATOM 0 HG SER A 28 -5.801 25.433 28.067 1.00 0.00 H new ATOM 392 N LYS A 29 -7.724 25.854 24.662 1.00 0.00 N ATOM 393 CA LYS A 29 -7.405 26.210 23.284 1.00 0.00 C ATOM 394 C LYS A 29 -6.432 25.207 22.673 1.00 0.00 C ATOM 395 O LYS A 29 -6.413 25.005 21.459 1.00 0.00 O ATOM 396 CB LYS A 29 -6.807 27.618 23.225 1.00 0.00 C ATOM 397 CG LYS A 29 -7.746 28.699 23.730 1.00 0.00 C ATOM 398 CD LYS A 29 -6.994 29.784 24.484 1.00 0.00 C ATOM 399 CE LYS A 29 -7.933 30.876 24.972 1.00 0.00 C ATOM 400 NZ LYS A 29 -7.877 31.036 26.451 1.00 0.00 N ATOM 0 H LYS A 29 -7.560 26.599 25.339 1.00 0.00 H new ATOM 0 HA LYS A 29 -8.329 26.189 22.707 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -5.891 27.640 23.815 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -6.528 27.842 22.195 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -8.278 29.142 22.888 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -8.496 28.254 24.383 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -6.473 29.344 25.334 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -6.234 30.219 23.835 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -7.671 31.820 24.495 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -8.953 30.639 24.671 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -8.531 31.790 26.744 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -8.151 30.143 26.907 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -6.909 31.288 26.737 1.00 0.00 H new ATOM 414 N THR A 30 -5.625 24.579 23.523 1.00 0.00 N ATOM 415 CA THR A 30 -4.650 23.596 23.068 1.00 0.00 C ATOM 416 C THR A 30 -5.282 22.215 22.937 1.00 0.00 C ATOM 417 O THR A 30 -5.106 21.537 21.925 1.00 0.00 O ATOM 418 CB THR A 30 -3.449 23.510 24.028 1.00 0.00 C ATOM 419 OG1 THR A 30 -3.261 24.765 24.692 1.00 0.00 O ATOM 420 CG2 THR A 30 -2.181 23.135 23.275 1.00 0.00 C ATOM 0 H THR A 30 -5.628 24.734 24.531 1.00 0.00 H new ATOM 0 HA THR A 30 -4.300 23.927 22.090 1.00 0.00 H new ATOM 0 HB THR A 30 -3.657 22.736 24.767 1.00 0.00 H new ATOM 0 HG1 THR A 30 -2.496 24.701 25.302 1.00 0.00 H new ATOM 0 HG21 THR A 30 -1.346 23.080 23.973 1.00 0.00 H new ATOM 0 HG22 THR A 30 -2.316 22.166 22.794 1.00 0.00 H new ATOM 0 HG23 THR A 30 -1.971 23.890 22.517 1.00 0.00 H new ATOM 428 N GLN A 31 -6.017 21.806 23.965 1.00 0.00 N ATOM 429 CA GLN A 31 -6.674 20.504 23.964 1.00 0.00 C ATOM 430 C GLN A 31 -7.513 20.320 22.704 1.00 0.00 C ATOM 431 O GLN A 31 -7.482 19.262 22.074 1.00 0.00 O ATOM 432 CB GLN A 31 -7.556 20.353 25.205 1.00 0.00 C ATOM 433 CG GLN A 31 -6.808 20.561 26.512 1.00 0.00 C ATOM 434 CD GLN A 31 -7.724 20.535 27.719 1.00 0.00 C ATOM 435 OE1 GLN A 31 -7.620 21.379 28.610 1.00 0.00 O ATOM 436 NE2 GLN A 31 -8.629 19.564 27.755 1.00 0.00 N ATOM 0 H GLN A 31 -6.173 22.357 24.809 1.00 0.00 H new ATOM 0 HA GLN A 31 -5.902 19.735 23.981 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -8.376 21.069 25.147 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -8.001 19.358 25.205 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -6.050 19.786 26.620 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -6.284 21.516 26.478 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -8.680 18.886 26.995 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -9.273 19.496 28.543 1.00 0.00 H new ATOM 445 N VAL A 32 -8.263 21.355 22.341 1.00 0.00 N ATOM 446 CA VAL A 32 -9.111 21.308 21.156 1.00 0.00 C ATOM 447 C VAL A 32 -8.319 20.860 19.932 1.00 0.00 C ATOM 448 O VAL A 32 -8.581 19.799 19.364 1.00 0.00 O ATOM 449 CB VAL A 32 -9.749 22.680 20.867 1.00 0.00 C ATOM 450 CG1 VAL A 32 -10.611 22.615 19.615 1.00 0.00 C ATOM 451 CG2 VAL A 32 -10.564 23.150 22.062 1.00 0.00 C ATOM 0 H VAL A 32 -8.301 22.237 22.851 1.00 0.00 H new ATOM 0 HA VAL A 32 -9.901 20.585 21.360 1.00 0.00 H new ATOM 0 HB VAL A 32 -8.952 23.403 20.693 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -11.053 23.593 19.427 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -9.995 22.325 18.764 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -11.403 21.880 19.756 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -11.008 24.121 21.841 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -11.354 22.429 22.270 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -9.915 23.238 22.933 1.00 0.00 H new ATOM 461 N LEU A 33 -7.350 21.674 19.531 1.00 0.00 N ATOM 462 CA LEU A 33 -6.518 21.362 18.374 1.00 0.00 C ATOM 463 C LEU A 33 -5.788 20.037 18.569 1.00 0.00 C ATOM 464 O LEU A 33 -5.709 19.219 17.653 1.00 0.00 O ATOM 465 CB LEU A 33 -5.506 22.483 18.131 1.00 0.00 C ATOM 466 CG LEU A 33 -6.079 23.804 17.615 1.00 0.00 C ATOM 467 CD1 LEU A 33 -5.159 24.961 17.973 1.00 0.00 C ATOM 468 CD2 LEU A 33 -6.297 23.739 16.110 1.00 0.00 C ATOM 0 H LEU A 33 -7.120 22.556 19.990 1.00 0.00 H new ATOM 0 HA LEU A 33 -7.169 21.273 17.504 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -4.979 22.679 19.065 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -4.765 22.127 17.415 1.00 0.00 H new ATOM 0 HG LEU A 33 -7.043 23.972 18.095 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -5.583 25.892 17.598 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -5.054 25.021 19.056 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -4.180 24.800 17.522 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -6.705 24.687 15.760 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -5.346 23.548 15.613 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -6.996 22.936 15.878 1.00 0.00 H new ATOM 480 N ASP A 34 -5.258 19.831 19.770 1.00 0.00 N ATOM 481 CA ASP A 34 -4.538 18.604 20.088 1.00 0.00 C ATOM 482 C ASP A 34 -5.404 17.378 19.813 1.00 0.00 C ATOM 483 O ASP A 34 -4.892 16.291 19.549 1.00 0.00 O ATOM 484 CB ASP A 34 -4.093 18.612 21.551 1.00 0.00 C ATOM 485 CG ASP A 34 -2.765 19.316 21.748 1.00 0.00 C ATOM 486 OD1 ASP A 34 -1.845 19.087 20.935 1.00 0.00 O ATOM 487 OD2 ASP A 34 -2.645 20.097 22.716 1.00 0.00 O ATOM 0 H ASP A 34 -5.314 20.498 20.539 1.00 0.00 H new ATOM 0 HA ASP A 34 -3.656 18.554 19.449 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -4.855 19.103 22.157 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -4.014 17.586 21.909 1.00 0.00 H new ATOM 492 N TRP A 35 -6.718 17.563 19.879 1.00 0.00 N ATOM 493 CA TRP A 35 -7.655 16.471 19.639 1.00 0.00 C ATOM 494 C TRP A 35 -7.909 16.290 18.147 1.00 0.00 C ATOM 495 O TRP A 35 -8.134 15.174 17.677 1.00 0.00 O ATOM 496 CB TRP A 35 -8.975 16.737 20.365 1.00 0.00 C ATOM 497 CG TRP A 35 -10.052 15.755 20.017 1.00 0.00 C ATOM 498 CD1 TRP A 35 -10.173 14.474 20.475 1.00 0.00 C ATOM 499 CD2 TRP A 35 -11.160 15.973 19.136 1.00 0.00 C ATOM 500 NE1 TRP A 35 -11.288 13.883 19.931 1.00 0.00 N ATOM 501 CE2 TRP A 35 -11.911 14.782 19.107 1.00 0.00 C ATOM 502 CE3 TRP A 35 -11.591 17.060 18.370 1.00 0.00 C ATOM 503 CZ2 TRP A 35 -13.067 14.650 18.342 1.00 0.00 C ATOM 504 CZ3 TRP A 35 -12.737 16.927 17.611 1.00 0.00 C ATOM 505 CH2 TRP A 35 -13.465 15.729 17.602 1.00 0.00 C ATOM 0 H TRP A 35 -7.158 18.457 20.096 1.00 0.00 H new ATOM 0 HA TRP A 35 -7.213 15.553 20.027 1.00 0.00 H new ATOM 0 HB2 TRP A 35 -8.802 16.709 21.441 1.00 0.00 H new ATOM 0 HB3 TRP A 35 -9.318 17.743 20.123 1.00 0.00 H new ATOM 0 HD1 TRP A 35 -9.492 13.996 21.164 1.00 0.00 H new ATOM 0 HE1 TRP A 35 -11.601 12.929 20.112 1.00 0.00 H new ATOM 0 HE3 TRP A 35 -11.038 17.987 18.372 1.00 0.00 H new ATOM 0 HZ2 TRP A 35 -13.629 13.728 18.333 1.00 0.00 H new ATOM 0 HZ3 TRP A 35 -13.078 17.760 17.014 1.00 0.00 H new ATOM 0 HH2 TRP A 35 -14.358 15.657 16.999 1.00 0.00 H new ATOM 516 N ILE A 36 -7.872 17.393 17.406 1.00 0.00 N ATOM 517 CA ILE A 36 -8.097 17.354 15.967 1.00 0.00 C ATOM 518 C ILE A 36 -7.060 16.479 15.272 1.00 0.00 C ATOM 519 O ILE A 36 -7.406 15.568 14.519 1.00 0.00 O ATOM 520 CB ILE A 36 -8.056 18.766 15.352 1.00 0.00 C ATOM 521 CG1 ILE A 36 -9.089 19.670 16.026 1.00 0.00 C ATOM 522 CG2 ILE A 36 -8.302 18.698 13.852 1.00 0.00 C ATOM 523 CD1 ILE A 36 -9.100 21.083 15.487 1.00 0.00 C ATOM 0 H ILE A 36 -7.688 18.324 17.779 1.00 0.00 H new ATOM 0 HA ILE A 36 -9.089 16.929 15.814 1.00 0.00 H new ATOM 0 HB ILE A 36 -7.066 19.190 15.519 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -10.080 19.234 15.898 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -8.889 19.700 17.097 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -8.270 19.703 13.432 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -7.532 18.085 13.384 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -9.281 18.257 13.663 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -9.857 21.667 16.011 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -8.121 21.538 15.639 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -9.330 21.064 14.422 1.00 0.00 H new ATOM 535 N SER A 37 -5.787 16.759 15.531 1.00 0.00 N ATOM 536 CA SER A 37 -4.698 15.998 14.929 1.00 0.00 C ATOM 537 C SER A 37 -4.908 14.500 15.129 1.00 0.00 C ATOM 538 O SER A 37 -4.588 13.695 14.254 1.00 0.00 O ATOM 539 CB SER A 37 -3.358 16.422 15.532 1.00 0.00 C ATOM 540 OG SER A 37 -2.322 15.535 15.146 1.00 0.00 O ATOM 0 H SER A 37 -5.484 17.508 16.154 1.00 0.00 H new ATOM 0 HA SER A 37 -4.689 16.206 13.859 1.00 0.00 H new ATOM 0 HB2 SER A 37 -3.114 17.434 15.209 1.00 0.00 H new ATOM 0 HB3 SER A 37 -3.436 16.445 16.619 1.00 0.00 H new ATOM 0 HG SER A 37 -1.475 15.828 15.543 1.00 0.00 H new ATOM 546 N TYR A 38 -5.446 14.134 16.286 1.00 0.00 N ATOM 547 CA TYR A 38 -5.697 12.732 16.603 1.00 0.00 C ATOM 548 C TYR A 38 -6.680 12.117 15.612 1.00 0.00 C ATOM 549 O TYR A 38 -6.456 11.022 15.099 1.00 0.00 O ATOM 550 CB TYR A 38 -6.239 12.599 18.027 1.00 0.00 C ATOM 551 CG TYR A 38 -7.325 11.556 18.166 1.00 0.00 C ATOM 552 CD1 TYR A 38 -7.039 10.204 18.021 1.00 0.00 C ATOM 553 CD2 TYR A 38 -8.636 11.922 18.442 1.00 0.00 C ATOM 554 CE1 TYR A 38 -8.028 9.247 18.146 1.00 0.00 C ATOM 555 CE2 TYR A 38 -9.631 10.972 18.570 1.00 0.00 C ATOM 556 CZ TYR A 38 -9.322 9.637 18.421 1.00 0.00 C ATOM 557 OH TYR A 38 -10.311 8.688 18.547 1.00 0.00 O ATOM 0 H TYR A 38 -5.717 14.788 17.021 1.00 0.00 H new ATOM 0 HA TYR A 38 -4.752 12.194 16.530 1.00 0.00 H new ATOM 0 HB2 TYR A 38 -5.417 12.348 18.698 1.00 0.00 H new ATOM 0 HB3 TYR A 38 -6.630 13.564 18.350 1.00 0.00 H new ATOM 0 HD1 TYR A 38 -6.026 9.896 17.807 1.00 0.00 H new ATOM 0 HD2 TYR A 38 -8.882 12.967 18.559 1.00 0.00 H new ATOM 0 HE1 TYR A 38 -7.789 8.200 18.029 1.00 0.00 H new ATOM 0 HE2 TYR A 38 -10.645 11.274 18.786 1.00 0.00 H new ATOM 0 HH TYR A 38 -10.994 9.009 19.172 1.00 0.00 H new ATOM 567 N GLN A 39 -7.770 12.832 15.349 1.00 0.00 N ATOM 568 CA GLN A 39 -8.788 12.357 14.420 1.00 0.00 C ATOM 569 C GLN A 39 -8.327 12.522 12.976 1.00 0.00 C ATOM 570 O GLN A 39 -8.790 11.815 12.081 1.00 0.00 O ATOM 571 CB GLN A 39 -10.100 13.113 14.639 1.00 0.00 C ATOM 572 CG GLN A 39 -11.069 12.394 15.564 1.00 0.00 C ATOM 573 CD GLN A 39 -12.218 11.746 14.816 1.00 0.00 C ATOM 574 OE1 GLN A 39 -12.961 12.414 14.097 1.00 0.00 O ATOM 575 NE2 GLN A 39 -12.368 10.437 14.982 1.00 0.00 N ATOM 0 H GLN A 39 -7.970 13.741 15.766 1.00 0.00 H new ATOM 0 HA GLN A 39 -8.952 11.296 14.610 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -9.878 14.097 15.052 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -10.582 13.274 13.675 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -10.530 11.631 16.126 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -11.467 13.103 16.290 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -11.728 9.923 15.588 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -13.123 9.945 14.504 1.00 0.00 H new ATOM 584 N VAL A 40 -7.412 13.461 12.756 1.00 0.00 N ATOM 585 CA VAL A 40 -6.888 13.719 11.420 1.00 0.00 C ATOM 586 C VAL A 40 -5.892 12.642 11.003 1.00 0.00 C ATOM 587 O VAL A 40 -5.706 12.381 9.815 1.00 0.00 O ATOM 588 CB VAL A 40 -6.201 15.095 11.342 1.00 0.00 C ATOM 589 CG1 VAL A 40 -5.614 15.322 9.958 1.00 0.00 C ATOM 590 CG2 VAL A 40 -7.183 16.201 11.702 1.00 0.00 C ATOM 0 H VAL A 40 -7.018 14.055 13.486 1.00 0.00 H new ATOM 0 HA VAL A 40 -7.739 13.707 10.739 1.00 0.00 H new ATOM 0 HB VAL A 40 -5.384 15.115 12.064 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -5.133 16.299 9.923 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -4.878 14.547 9.743 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -6.410 15.282 9.214 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -6.681 17.167 11.642 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -8.022 16.184 11.006 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -7.550 16.045 12.716 1.00 0.00 H new ATOM 600 N GLU A 41 -5.254 12.020 11.990 1.00 0.00 N ATOM 601 CA GLU A 41 -4.276 10.972 11.725 1.00 0.00 C ATOM 602 C GLU A 41 -4.932 9.594 11.761 1.00 0.00 C ATOM 603 O GLU A 41 -4.455 8.650 11.132 1.00 0.00 O ATOM 604 CB GLU A 41 -3.139 11.034 12.747 1.00 0.00 C ATOM 605 CG GLU A 41 -2.044 10.009 12.502 1.00 0.00 C ATOM 606 CD GLU A 41 -1.602 9.963 11.053 1.00 0.00 C ATOM 607 OE1 GLU A 41 -1.398 11.043 10.460 1.00 0.00 O ATOM 608 OE2 GLU A 41 -1.460 8.847 10.511 1.00 0.00 O ATOM 0 H GLU A 41 -5.397 12.224 12.979 1.00 0.00 H new ATOM 0 HA GLU A 41 -3.868 11.136 10.728 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -2.701 12.032 12.731 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -3.550 10.883 13.745 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -1.186 10.242 13.132 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -2.401 9.023 12.801 1.00 0.00 H new ATOM 615 N LYS A 42 -6.030 9.488 12.502 1.00 0.00 N ATOM 616 CA LYS A 42 -6.753 8.227 12.621 1.00 0.00 C ATOM 617 C LYS A 42 -7.466 7.884 11.317 1.00 0.00 C ATOM 618 O LYS A 42 -7.402 6.751 10.844 1.00 0.00 O ATOM 619 CB LYS A 42 -7.768 8.304 13.764 1.00 0.00 C ATOM 620 CG LYS A 42 -7.579 7.227 14.818 1.00 0.00 C ATOM 621 CD LYS A 42 -6.350 7.490 15.671 1.00 0.00 C ATOM 622 CE LYS A 42 -6.102 6.357 16.656 1.00 0.00 C ATOM 623 NZ LYS A 42 -5.609 6.860 17.968 1.00 0.00 N ATOM 0 H LYS A 42 -6.439 10.260 13.029 1.00 0.00 H new ATOM 0 HA LYS A 42 -6.030 7.441 12.837 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -7.694 9.282 14.239 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -8.774 8.225 13.352 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -8.462 7.182 15.455 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -7.485 6.255 14.333 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -5.479 7.611 15.028 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -6.477 8.426 16.216 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -7.025 5.797 16.805 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -5.373 5.664 16.236 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -5.920 6.218 18.725 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -4.570 6.903 17.955 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -5.992 7.811 18.141 1.00 0.00 H new ATOM 637 N ASN A 43 -8.144 8.872 10.741 1.00 0.00 N ATOM 638 CA ASN A 43 -8.868 8.674 9.490 1.00 0.00 C ATOM 639 C ASN A 43 -7.950 8.886 8.291 1.00 0.00 C ATOM 640 O ASN A 43 -8.393 8.858 7.142 1.00 0.00 O ATOM 641 CB ASN A 43 -10.060 9.629 9.410 1.00 0.00 C ATOM 642 CG ASN A 43 -11.263 9.119 10.180 1.00 0.00 C ATOM 643 OD1 ASN A 43 -12.069 8.351 9.655 1.00 0.00 O ATOM 644 ND2 ASN A 43 -11.389 9.546 11.431 1.00 0.00 N ATOM 0 H ASN A 43 -8.207 9.817 11.120 1.00 0.00 H new ATOM 0 HA ASN A 43 -9.232 7.647 9.468 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -9.768 10.603 9.801 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -10.336 9.775 8.366 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -12.179 9.237 11.998 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -10.696 10.183 11.825 1.00 0.00 H new ATOM 651 N LYS A 44 -6.667 9.099 8.564 1.00 0.00 N ATOM 652 CA LYS A 44 -5.685 9.314 7.509 1.00 0.00 C ATOM 653 C LYS A 44 -6.054 10.528 6.662 1.00 0.00 C ATOM 654 O LYS A 44 -5.608 10.659 5.521 1.00 0.00 O ATOM 655 CB LYS A 44 -5.578 8.072 6.621 1.00 0.00 C ATOM 656 CG LYS A 44 -4.263 7.328 6.772 1.00 0.00 C ATOM 657 CD LYS A 44 -4.449 5.829 6.608 1.00 0.00 C ATOM 658 CE LYS A 44 -3.681 5.301 5.405 1.00 0.00 C ATOM 659 NZ LYS A 44 -3.271 3.881 5.589 1.00 0.00 N ATOM 0 H LYS A 44 -6.283 9.127 9.509 1.00 0.00 H new ATOM 0 HA LYS A 44 -4.719 9.500 7.979 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -6.398 7.395 6.858 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -5.700 8.369 5.579 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -3.551 7.691 6.030 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -3.836 7.538 7.753 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -4.111 5.318 7.510 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -5.509 5.603 6.492 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -4.300 5.388 4.512 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -2.796 5.916 5.240 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -2.751 3.558 4.748 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -2.659 3.802 6.426 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -4.116 3.290 5.721 1.00 0.00 H new ATOM 673 N TYR A 45 -6.868 11.412 7.226 1.00 0.00 N ATOM 674 CA TYR A 45 -7.298 12.614 6.522 1.00 0.00 C ATOM 675 C TYR A 45 -6.099 13.378 5.967 1.00 0.00 C ATOM 676 O TYR A 45 -5.123 13.625 6.676 1.00 0.00 O ATOM 677 CB TYR A 45 -8.104 13.518 7.456 1.00 0.00 C ATOM 678 CG TYR A 45 -8.761 14.684 6.753 1.00 0.00 C ATOM 679 CD1 TYR A 45 -9.584 14.482 5.651 1.00 0.00 C ATOM 680 CD2 TYR A 45 -8.559 15.987 7.189 1.00 0.00 C ATOM 681 CE1 TYR A 45 -10.186 15.544 5.005 1.00 0.00 C ATOM 682 CE2 TYR A 45 -9.157 17.055 6.549 1.00 0.00 C ATOM 683 CZ TYR A 45 -9.970 16.829 5.458 1.00 0.00 C ATOM 684 OH TYR A 45 -10.567 17.890 4.818 1.00 0.00 O ATOM 0 H TYR A 45 -7.244 11.319 8.170 1.00 0.00 H new ATOM 0 HA TYR A 45 -7.930 12.309 5.688 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -8.872 12.923 7.950 1.00 0.00 H new ATOM 0 HB3 TYR A 45 -7.445 13.899 8.236 1.00 0.00 H new ATOM 0 HD1 TYR A 45 -9.756 13.477 5.294 1.00 0.00 H new ATOM 0 HD2 TYR A 45 -7.923 16.168 8.043 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -10.822 15.369 4.150 1.00 0.00 H new ATOM 0 HE2 TYR A 45 -8.989 18.062 6.901 1.00 0.00 H new ATOM 0 HH TYR A 45 -10.686 17.675 3.869 1.00 0.00 H new ATOM 694 N ASP A 46 -6.181 13.750 4.694 1.00 0.00 N ATOM 695 CA ASP A 46 -5.104 14.488 4.043 1.00 0.00 C ATOM 696 C ASP A 46 -4.746 15.740 4.837 1.00 0.00 C ATOM 697 O ASP A 46 -3.609 16.209 4.795 1.00 0.00 O ATOM 698 CB ASP A 46 -5.509 14.871 2.618 1.00 0.00 C ATOM 699 CG ASP A 46 -4.472 14.459 1.592 1.00 0.00 C ATOM 700 OD1 ASP A 46 -4.235 13.242 1.442 1.00 0.00 O ATOM 701 OD2 ASP A 46 -3.898 15.355 0.937 1.00 0.00 O ATOM 0 H ASP A 46 -6.981 13.553 4.093 1.00 0.00 H new ATOM 0 HA ASP A 46 -4.227 13.842 4.002 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -6.462 14.402 2.376 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -5.661 15.949 2.564 1.00 0.00 H new ATOM 706 N ALA A 47 -5.724 16.277 5.559 1.00 0.00 N ATOM 707 CA ALA A 47 -5.511 17.474 6.363 1.00 0.00 C ATOM 708 C ALA A 47 -5.108 18.657 5.490 1.00 0.00 C ATOM 709 O ALA A 47 -4.480 19.605 5.963 1.00 0.00 O ATOM 710 CB ALA A 47 -4.454 17.215 7.426 1.00 0.00 C ATOM 0 H ALA A 47 -6.672 15.902 5.604 1.00 0.00 H new ATOM 0 HA ALA A 47 -6.451 17.723 6.855 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -4.305 18.118 8.019 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -4.783 16.404 8.076 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -3.516 16.938 6.946 1.00 0.00 H new ATOM 716 N SER A 48 -5.471 18.596 4.213 1.00 0.00 N ATOM 717 CA SER A 48 -5.142 19.661 3.272 1.00 0.00 C ATOM 718 C SER A 48 -6.372 20.509 2.961 1.00 0.00 C ATOM 719 O SER A 48 -6.459 21.129 1.902 1.00 0.00 O ATOM 720 CB SER A 48 -4.575 19.071 1.980 1.00 0.00 C ATOM 721 OG SER A 48 -5.610 18.754 1.066 1.00 0.00 O ATOM 0 H SER A 48 -5.993 17.820 3.806 1.00 0.00 H new ATOM 0 HA SER A 48 -4.388 20.300 3.732 1.00 0.00 H new ATOM 0 HB2 SER A 48 -3.887 19.783 1.523 1.00 0.00 H new ATOM 0 HB3 SER A 48 -4.000 18.174 2.208 1.00 0.00 H new ATOM 0 HG SER A 48 -6.068 19.576 0.793 1.00 0.00 H new ATOM 727 N ALA A 49 -7.320 20.530 3.893 1.00 0.00 N ATOM 728 CA ALA A 49 -8.544 21.302 3.720 1.00 0.00 C ATOM 729 C ALA A 49 -8.758 22.259 4.888 1.00 0.00 C ATOM 730 O ALA A 49 -9.236 23.379 4.705 1.00 0.00 O ATOM 731 CB ALA A 49 -9.738 20.372 3.570 1.00 0.00 C ATOM 0 H ALA A 49 -7.263 20.021 4.775 1.00 0.00 H new ATOM 0 HA ALA A 49 -8.445 21.896 2.811 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -10.645 20.962 3.442 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -9.594 19.733 2.699 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -9.831 19.753 4.462 1.00 0.00 H new ATOM 737 N ILE A 50 -8.404 21.810 6.087 1.00 0.00 N ATOM 738 CA ILE A 50 -8.558 22.627 7.284 1.00 0.00 C ATOM 739 C ILE A 50 -7.835 23.961 7.136 1.00 0.00 C ATOM 740 O ILE A 50 -6.727 24.023 6.602 1.00 0.00 O ATOM 741 CB ILE A 50 -8.023 21.902 8.533 1.00 0.00 C ATOM 742 CG1 ILE A 50 -8.730 20.557 8.710 1.00 0.00 C ATOM 743 CG2 ILE A 50 -8.208 22.770 9.769 1.00 0.00 C ATOM 744 CD1 ILE A 50 -8.034 19.632 9.685 1.00 0.00 C ATOM 0 H ILE A 50 -8.009 20.885 6.255 1.00 0.00 H new ATOM 0 HA ILE A 50 -9.626 22.807 7.408 1.00 0.00 H new ATOM 0 HB ILE A 50 -6.957 21.717 8.399 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -9.749 20.734 9.054 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -8.802 20.063 7.741 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -7.825 22.244 10.644 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -7.664 23.706 9.641 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -9.268 22.983 9.909 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -8.590 18.698 9.761 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -7.024 19.425 9.332 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -7.986 20.106 10.665 1.00 0.00 H new ATOM 756 N ASP A 51 -8.468 25.027 7.613 1.00 0.00 N ATOM 757 CA ASP A 51 -7.884 26.361 7.537 1.00 0.00 C ATOM 758 C ASP A 51 -7.030 26.652 8.767 1.00 0.00 C ATOM 759 O ASP A 51 -6.063 27.412 8.699 1.00 0.00 O ATOM 760 CB ASP A 51 -8.983 27.416 7.403 1.00 0.00 C ATOM 761 CG ASP A 51 -8.695 28.417 6.302 1.00 0.00 C ATOM 762 OD1 ASP A 51 -7.513 28.783 6.127 1.00 0.00 O ATOM 763 OD2 ASP A 51 -9.650 28.835 5.616 1.00 0.00 O ATOM 0 H ASP A 51 -9.386 24.993 8.057 1.00 0.00 H new ATOM 0 HA ASP A 51 -7.244 26.400 6.655 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -9.934 26.922 7.201 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -9.093 27.944 8.350 1.00 0.00 H new ATOM 768 N PHE A 52 -7.393 26.043 9.891 1.00 0.00 N ATOM 769 CA PHE A 52 -6.661 26.238 11.137 1.00 0.00 C ATOM 770 C PHE A 52 -6.619 27.715 11.517 1.00 0.00 C ATOM 771 O PHE A 52 -5.732 28.153 12.250 1.00 0.00 O ATOM 772 CB PHE A 52 -5.238 25.691 11.008 1.00 0.00 C ATOM 773 CG PHE A 52 -5.168 24.191 11.023 1.00 0.00 C ATOM 774 CD1 PHE A 52 -5.691 23.470 12.085 1.00 0.00 C ATOM 775 CD2 PHE A 52 -4.580 23.501 9.976 1.00 0.00 C ATOM 776 CE1 PHE A 52 -5.629 22.090 12.102 1.00 0.00 C ATOM 777 CE2 PHE A 52 -4.515 22.121 9.987 1.00 0.00 C ATOM 778 CZ PHE A 52 -5.039 21.414 11.052 1.00 0.00 C ATOM 0 H PHE A 52 -8.190 25.410 9.965 1.00 0.00 H new ATOM 0 HA PHE A 52 -7.181 25.693 11.925 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -4.799 26.058 10.080 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -4.631 26.083 11.824 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -6.153 23.993 12.909 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -4.167 24.048 9.141 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -6.041 21.540 12.935 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -4.055 21.595 9.163 1.00 0.00 H new ATOM 0 HZ PHE A 52 -4.987 20.335 11.063 1.00 0.00 H new ATOM 788 N SER A 53 -7.584 28.478 11.013 1.00 0.00 N ATOM 789 CA SER A 53 -7.655 29.906 11.296 1.00 0.00 C ATOM 790 C SER A 53 -8.943 30.250 12.036 1.00 0.00 C ATOM 791 O SER A 53 -8.987 31.198 12.821 1.00 0.00 O ATOM 792 CB SER A 53 -7.570 30.709 9.996 1.00 0.00 C ATOM 793 OG SER A 53 -7.130 32.034 10.243 1.00 0.00 O ATOM 0 H SER A 53 -8.327 28.131 10.407 1.00 0.00 H new ATOM 0 HA SER A 53 -6.810 30.168 11.933 1.00 0.00 H new ATOM 0 HB2 SER A 53 -6.885 30.218 9.305 1.00 0.00 H new ATOM 0 HB3 SER A 53 -8.547 30.731 9.514 1.00 0.00 H new ATOM 0 HG SER A 53 -7.083 32.526 9.397 1.00 0.00 H new ATOM 799 N ARG A 54 -9.991 29.473 11.781 1.00 0.00 N ATOM 800 CA ARG A 54 -11.281 29.695 12.422 1.00 0.00 C ATOM 801 C ARG A 54 -11.500 28.705 13.562 1.00 0.00 C ATOM 802 O ARG A 54 -12.627 28.505 14.017 1.00 0.00 O ATOM 803 CB ARG A 54 -12.411 29.567 11.398 1.00 0.00 C ATOM 804 CG ARG A 54 -12.510 30.751 10.449 1.00 0.00 C ATOM 805 CD ARG A 54 -13.935 30.953 9.958 1.00 0.00 C ATOM 806 NE ARG A 54 -14.079 32.189 9.192 1.00 0.00 N ATOM 807 CZ ARG A 54 -15.253 32.725 8.878 1.00 0.00 C ATOM 808 NH1 ARG A 54 -16.378 32.138 9.262 1.00 0.00 N ATOM 809 NH2 ARG A 54 -15.303 33.852 8.178 1.00 0.00 N ATOM 0 H ARG A 54 -9.971 28.684 11.135 1.00 0.00 H new ATOM 0 HA ARG A 54 -11.285 30.704 12.834 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -12.261 28.657 10.816 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -13.358 29.455 11.926 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -12.167 31.654 10.954 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -11.849 30.592 9.597 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -14.229 30.106 9.338 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -14.613 30.974 10.811 1.00 0.00 H new ATOM 0 HE ARG A 54 -13.232 32.666 8.882 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -16.344 31.272 9.800 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -17.278 32.552 9.019 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -14.440 34.307 7.881 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -16.205 34.263 7.937 1.00 0.00 H new ATOM 823 N CYS A 55 -10.415 28.089 14.019 1.00 0.00 N ATOM 824 CA CYS A 55 -10.488 27.119 15.106 1.00 0.00 C ATOM 825 C CYS A 55 -10.098 27.760 16.434 1.00 0.00 C ATOM 826 O CYS A 55 -9.291 27.213 17.186 1.00 0.00 O ATOM 827 CB CYS A 55 -9.577 25.926 14.815 1.00 0.00 C ATOM 828 SG CYS A 55 -7.838 26.365 14.583 1.00 0.00 S ATOM 0 H CYS A 55 -9.475 28.244 13.654 1.00 0.00 H new ATOM 0 HA CYS A 55 -11.518 26.771 15.180 1.00 0.00 H new ATOM 0 HB2 CYS A 55 -9.655 25.214 15.637 1.00 0.00 H new ATOM 0 HB3 CYS A 55 -9.935 25.419 13.919 1.00 0.00 H new ATOM 0 HG CYS A 55 -7.330 26.741 15.719 1.00 0.00 H new ATOM 834 N ASP A 56 -10.675 28.923 16.716 1.00 0.00 N ATOM 835 CA ASP A 56 -10.387 29.640 17.953 1.00 0.00 C ATOM 836 C ASP A 56 -11.440 29.336 19.014 1.00 0.00 C ATOM 837 O ASP A 56 -12.230 30.204 19.384 1.00 0.00 O ATOM 838 CB ASP A 56 -10.326 31.146 17.693 1.00 0.00 C ATOM 839 CG ASP A 56 -9.111 31.544 16.878 1.00 0.00 C ATOM 840 OD1 ASP A 56 -8.012 31.643 17.463 1.00 0.00 O ATOM 841 OD2 ASP A 56 -9.259 31.757 15.657 1.00 0.00 O ATOM 0 H ASP A 56 -11.345 29.389 16.105 1.00 0.00 H new ATOM 0 HA ASP A 56 -9.418 29.304 18.322 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -11.229 31.458 17.169 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -10.311 31.676 18.645 1.00 0.00 H new ATOM 846 N MET A 57 -11.445 28.099 19.498 1.00 0.00 N ATOM 847 CA MET A 57 -12.402 27.681 20.517 1.00 0.00 C ATOM 848 C MET A 57 -11.693 26.990 21.677 1.00 0.00 C ATOM 849 O MET A 57 -11.045 25.959 21.495 1.00 0.00 O ATOM 850 CB MET A 57 -13.448 26.744 19.912 1.00 0.00 C ATOM 851 CG MET A 57 -12.858 25.691 18.988 1.00 0.00 C ATOM 852 SD MET A 57 -13.239 25.997 17.252 1.00 0.00 S ATOM 853 CE MET A 57 -14.505 24.765 16.961 1.00 0.00 C ATOM 0 H MET A 57 -10.798 27.368 19.202 1.00 0.00 H new ATOM 0 HA MET A 57 -12.901 28.572 20.898 1.00 0.00 H new ATOM 0 HB2 MET A 57 -13.988 26.247 20.718 1.00 0.00 H new ATOM 0 HB3 MET A 57 -14.176 27.336 19.357 1.00 0.00 H new ATOM 0 HG2 MET A 57 -11.776 25.663 19.119 1.00 0.00 H new ATOM 0 HG3 MET A 57 -13.239 24.710 19.272 1.00 0.00 H new ATOM 0 HE1 MET A 57 -15.108 25.059 16.102 1.00 0.00 H new ATOM 0 HE2 MET A 57 -14.036 23.801 16.763 1.00 0.00 H new ATOM 0 HE3 MET A 57 -15.143 24.684 17.841 1.00 0.00 H new ATOM 863 N ASP A 58 -11.820 27.563 22.869 1.00 0.00 N ATOM 864 CA ASP A 58 -11.191 27.001 24.059 1.00 0.00 C ATOM 865 C ASP A 58 -11.725 25.601 24.345 1.00 0.00 C ATOM 866 O ASP A 58 -10.956 24.656 24.518 1.00 0.00 O ATOM 867 CB ASP A 58 -11.433 27.909 25.266 1.00 0.00 C ATOM 868 CG ASP A 58 -12.892 28.292 25.420 1.00 0.00 C ATOM 869 OD1 ASP A 58 -13.344 29.207 24.701 1.00 0.00 O ATOM 870 OD2 ASP A 58 -13.581 27.675 26.259 1.00 0.00 O ATOM 0 H ASP A 58 -12.353 28.416 23.037 1.00 0.00 H new ATOM 0 HA ASP A 58 -10.119 26.931 23.876 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -11.096 27.403 26.171 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -10.832 28.813 25.163 1.00 0.00 H new ATOM 875 N GLY A 59 -13.048 25.476 24.394 1.00 0.00 N ATOM 876 CA GLY A 59 -13.661 24.188 24.661 1.00 0.00 C ATOM 877 C GLY A 59 -15.175 24.247 24.619 1.00 0.00 C ATOM 878 O GLY A 59 -15.807 23.564 23.813 1.00 0.00 O ATOM 0 H GLY A 59 -13.706 26.243 24.254 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -13.308 23.462 23.928 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -13.341 23.833 25.641 1.00 0.00 H new ATOM 882 N ALA A 60 -15.759 25.064 25.489 1.00 0.00 N ATOM 883 CA ALA A 60 -17.208 25.210 25.548 1.00 0.00 C ATOM 884 C ALA A 60 -17.772 25.630 24.195 1.00 0.00 C ATOM 885 O ALA A 60 -18.934 25.365 23.885 1.00 0.00 O ATOM 886 CB ALA A 60 -17.594 26.218 26.620 1.00 0.00 C ATOM 0 H ALA A 60 -15.250 25.636 26.163 1.00 0.00 H new ATOM 0 HA ALA A 60 -17.636 24.241 25.806 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -18.679 26.317 26.653 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -17.231 25.875 27.589 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -17.148 27.185 26.387 1.00 0.00 H new ATOM 892 N THR A 61 -16.942 26.289 23.391 1.00 0.00 N ATOM 893 CA THR A 61 -17.359 26.748 22.073 1.00 0.00 C ATOM 894 C THR A 61 -17.417 25.592 21.081 1.00 0.00 C ATOM 895 O THR A 61 -18.148 25.645 20.091 1.00 0.00 O ATOM 896 CB THR A 61 -16.408 27.830 21.528 1.00 0.00 C ATOM 897 OG1 THR A 61 -16.402 28.963 22.403 1.00 0.00 O ATOM 898 CG2 THR A 61 -16.825 28.264 20.131 1.00 0.00 C ATOM 0 H THR A 61 -15.977 26.516 23.631 1.00 0.00 H new ATOM 0 HA THR A 61 -18.355 27.175 22.188 1.00 0.00 H new ATOM 0 HB THR A 61 -15.405 27.407 21.475 1.00 0.00 H new ATOM 0 HG1 THR A 61 -15.794 29.646 22.050 1.00 0.00 H new ATOM 0 HG21 THR A 61 -16.138 29.029 19.767 1.00 0.00 H new ATOM 0 HG22 THR A 61 -16.800 27.405 19.460 1.00 0.00 H new ATOM 0 HG23 THR A 61 -17.836 28.670 20.163 1.00 0.00 H new ATOM 906 N LEU A 62 -16.643 24.547 21.352 1.00 0.00 N ATOM 907 CA LEU A 62 -16.607 23.376 20.483 1.00 0.00 C ATOM 908 C LEU A 62 -17.892 22.565 20.608 1.00 0.00 C ATOM 909 O LEU A 62 -18.488 22.168 19.605 1.00 0.00 O ATOM 910 CB LEU A 62 -15.401 22.498 20.826 1.00 0.00 C ATOM 911 CG LEU A 62 -15.180 21.281 19.928 1.00 0.00 C ATOM 912 CD1 LEU A 62 -14.996 21.711 18.481 1.00 0.00 C ATOM 913 CD2 LEU A 62 -13.978 20.478 20.405 1.00 0.00 C ATOM 0 H LEU A 62 -16.032 24.487 22.166 1.00 0.00 H new ATOM 0 HA LEU A 62 -16.516 23.722 19.453 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -14.505 23.117 20.792 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -15.510 22.151 21.854 1.00 0.00 H new ATOM 0 HG LEU A 62 -16.063 20.645 19.986 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -14.840 20.831 17.857 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -15.886 22.242 18.143 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -14.130 22.368 18.404 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -13.835 19.615 19.754 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -13.087 21.105 20.377 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -14.150 20.138 21.426 1.00 0.00 H new ATOM 925 N CYS A 63 -18.316 22.324 21.843 1.00 0.00 N ATOM 926 CA CYS A 63 -19.532 21.561 22.100 1.00 0.00 C ATOM 927 C CYS A 63 -20.771 22.379 21.748 1.00 0.00 C ATOM 928 O CYS A 63 -21.823 21.825 21.430 1.00 0.00 O ATOM 929 CB CYS A 63 -19.590 21.131 23.566 1.00 0.00 C ATOM 930 SG CYS A 63 -19.806 22.499 24.729 1.00 0.00 S ATOM 0 H CYS A 63 -17.835 22.646 22.683 1.00 0.00 H new ATOM 0 HA CYS A 63 -19.514 20.672 21.469 1.00 0.00 H new ATOM 0 HB2 CYS A 63 -20.411 20.426 23.694 1.00 0.00 H new ATOM 0 HB3 CYS A 63 -18.672 20.599 23.814 1.00 0.00 H new ATOM 0 HG CYS A 63 -19.400 23.605 24.179 1.00 0.00 H new ATOM 936 N ASN A 64 -20.638 23.700 21.808 1.00 0.00 N ATOM 937 CA ASN A 64 -21.748 24.594 21.498 1.00 0.00 C ATOM 938 C ASN A 64 -21.801 24.897 20.003 1.00 0.00 C ATOM 939 O ASN A 64 -22.860 25.216 19.462 1.00 0.00 O ATOM 940 CB ASN A 64 -21.616 25.897 22.289 1.00 0.00 C ATOM 941 CG ASN A 64 -22.099 25.757 23.719 1.00 0.00 C ATOM 942 OD1 ASN A 64 -22.982 24.950 24.012 1.00 0.00 O ATOM 943 ND2 ASN A 64 -21.521 26.544 24.619 1.00 0.00 N ATOM 0 H ASN A 64 -19.774 24.175 22.068 1.00 0.00 H new ATOM 0 HA ASN A 64 -22.674 24.095 21.783 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -20.573 26.214 22.290 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -22.187 26.681 21.791 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -21.805 26.494 25.597 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -20.793 27.198 24.332 1.00 0.00 H new ATOM 950 N CYS A 65 -20.653 24.793 19.343 1.00 0.00 N ATOM 951 CA CYS A 65 -20.569 25.055 17.911 1.00 0.00 C ATOM 952 C CYS A 65 -21.616 24.251 17.148 1.00 0.00 C ATOM 953 O CYS A 65 -22.235 23.340 17.698 1.00 0.00 O ATOM 954 CB CYS A 65 -19.171 24.718 17.391 1.00 0.00 C ATOM 955 SG CYS A 65 -18.148 26.165 17.033 1.00 0.00 S ATOM 0 H CYS A 65 -19.768 24.529 19.776 1.00 0.00 H new ATOM 0 HA CYS A 65 -20.763 26.115 17.749 1.00 0.00 H new ATOM 0 HB2 CYS A 65 -18.660 24.099 18.128 1.00 0.00 H new ATOM 0 HB3 CYS A 65 -19.267 24.121 16.484 1.00 0.00 H new ATOM 0 HG CYS A 65 -18.359 26.554 15.811 1.00 0.00 H new ATOM 961 N ALA A 66 -21.810 24.594 15.879 1.00 0.00 N ATOM 962 CA ALA A 66 -22.782 23.904 15.040 1.00 0.00 C ATOM 963 C ALA A 66 -22.092 22.938 14.082 1.00 0.00 C ATOM 964 O ALA A 66 -20.909 23.091 13.775 1.00 0.00 O ATOM 965 CB ALA A 66 -23.620 24.910 14.266 1.00 0.00 C ATOM 0 H ALA A 66 -21.306 25.346 15.409 1.00 0.00 H new ATOM 0 HA ALA A 66 -23.439 23.324 15.689 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -24.341 24.380 13.644 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -24.150 25.557 14.965 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -22.970 25.515 13.633 1.00 0.00 H new ATOM 971 N LEU A 67 -22.838 21.944 13.614 1.00 0.00 N ATOM 972 CA LEU A 67 -22.299 20.952 12.690 1.00 0.00 C ATOM 973 C LEU A 67 -21.626 21.626 11.499 1.00 0.00 C ATOM 974 O LEU A 67 -20.430 21.451 11.268 1.00 0.00 O ATOM 975 CB LEU A 67 -23.411 20.021 12.203 1.00 0.00 C ATOM 976 CG LEU A 67 -23.094 19.190 10.959 1.00 0.00 C ATOM 977 CD1 LEU A 67 -21.788 18.433 11.141 1.00 0.00 C ATOM 978 CD2 LEU A 67 -24.233 18.228 10.656 1.00 0.00 C ATOM 0 H LEU A 67 -23.818 21.803 13.859 1.00 0.00 H new ATOM 0 HA LEU A 67 -21.550 20.365 13.222 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -23.669 19.340 13.014 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -24.297 20.622 11.998 1.00 0.00 H new ATOM 0 HG LEU A 67 -22.982 19.867 10.112 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -21.579 17.847 10.246 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -20.977 19.142 11.309 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -21.870 17.766 11.999 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -23.990 17.645 9.768 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -24.377 17.557 11.503 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -25.149 18.792 10.480 1.00 0.00 H new ATOM 990 N GLU A 68 -22.404 22.399 10.747 1.00 0.00 N ATOM 991 CA GLU A 68 -21.882 23.101 9.580 1.00 0.00 C ATOM 992 C GLU A 68 -20.635 23.903 9.940 1.00 0.00 C ATOM 993 O GLU A 68 -19.659 23.922 9.190 1.00 0.00 O ATOM 994 CB GLU A 68 -22.949 24.030 8.996 1.00 0.00 C ATOM 995 CG GLU A 68 -24.205 23.305 8.543 1.00 0.00 C ATOM 996 CD GLU A 68 -25.401 24.229 8.423 1.00 0.00 C ATOM 997 OE1 GLU A 68 -25.206 25.462 8.470 1.00 0.00 O ATOM 998 OE2 GLU A 68 -26.532 23.719 8.281 1.00 0.00 O ATOM 0 H GLU A 68 -23.396 22.555 10.925 1.00 0.00 H new ATOM 0 HA GLU A 68 -21.610 22.356 8.832 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -23.219 24.775 9.745 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -22.525 24.569 8.149 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -24.019 22.831 7.579 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -24.435 22.509 9.251 1.00 0.00 H new ATOM 1005 N GLU A 69 -20.676 24.565 11.092 1.00 0.00 N ATOM 1006 CA GLU A 69 -19.551 25.370 11.551 1.00 0.00 C ATOM 1007 C GLU A 69 -18.262 24.553 11.552 1.00 0.00 C ATOM 1008 O GLU A 69 -17.274 24.929 10.919 1.00 0.00 O ATOM 1009 CB GLU A 69 -19.823 25.915 12.954 1.00 0.00 C ATOM 1010 CG GLU A 69 -20.220 27.382 12.971 1.00 0.00 C ATOM 1011 CD GLU A 69 -19.588 28.144 14.119 1.00 0.00 C ATOM 1012 OE1 GLU A 69 -18.341 28.178 14.192 1.00 0.00 O ATOM 1013 OE2 GLU A 69 -20.338 28.707 14.943 1.00 0.00 O ATOM 0 H GLU A 69 -21.476 24.559 11.724 1.00 0.00 H new ATOM 0 HA GLU A 69 -19.431 26.206 10.862 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -20.617 25.327 13.415 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -18.931 25.782 13.566 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -19.928 27.845 12.028 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -21.305 27.460 13.042 1.00 0.00 H new ATOM 1020 N LEU A 70 -18.279 23.434 12.267 1.00 0.00 N ATOM 1021 CA LEU A 70 -17.112 22.562 12.353 1.00 0.00 C ATOM 1022 C LEU A 70 -16.672 22.104 10.966 1.00 0.00 C ATOM 1023 O LEU A 70 -15.503 21.786 10.748 1.00 0.00 O ATOM 1024 CB LEU A 70 -17.421 21.348 13.230 1.00 0.00 C ATOM 1025 CG LEU A 70 -18.001 21.649 14.612 1.00 0.00 C ATOM 1026 CD1 LEU A 70 -18.377 20.359 15.325 1.00 0.00 C ATOM 1027 CD2 LEU A 70 -17.010 22.450 15.444 1.00 0.00 C ATOM 0 H LEU A 70 -19.088 23.109 12.796 1.00 0.00 H new ATOM 0 HA LEU A 70 -16.297 23.129 12.804 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -18.122 20.708 12.695 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -16.503 20.776 13.360 1.00 0.00 H new ATOM 0 HG LEU A 70 -18.904 22.246 14.484 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -18.788 20.593 16.307 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -19.122 19.823 14.738 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -17.490 19.736 15.442 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -17.440 22.655 16.424 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -16.090 21.878 15.564 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -16.789 23.391 14.941 1.00 0.00 H new ATOM 1039 N ARG A 71 -17.617 22.074 10.031 1.00 0.00 N ATOM 1040 CA ARG A 71 -17.327 21.655 8.665 1.00 0.00 C ATOM 1041 C ARG A 71 -16.705 22.797 7.867 1.00 0.00 C ATOM 1042 O ARG A 71 -16.055 22.573 6.845 1.00 0.00 O ATOM 1043 CB ARG A 71 -18.604 21.173 7.975 1.00 0.00 C ATOM 1044 CG ARG A 71 -19.237 19.963 8.643 1.00 0.00 C ATOM 1045 CD ARG A 71 -20.653 19.726 8.140 1.00 0.00 C ATOM 1046 NE ARG A 71 -20.801 18.412 7.520 1.00 0.00 N ATOM 1047 CZ ARG A 71 -21.965 17.918 7.115 1.00 0.00 C ATOM 1048 NH1 ARG A 71 -23.077 18.625 7.263 1.00 0.00 N ATOM 1049 NH2 ARG A 71 -22.019 16.714 6.559 1.00 0.00 N ATOM 0 H ARG A 71 -18.589 22.335 10.195 1.00 0.00 H new ATOM 0 HA ARG A 71 -16.613 20.833 8.707 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -19.328 21.988 7.958 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -18.376 20.927 6.938 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -18.628 19.080 8.450 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -19.253 20.109 9.723 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -21.353 19.816 8.971 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -20.915 20.499 7.418 1.00 0.00 H new ATOM 0 HE ARG A 71 -19.965 17.843 7.391 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -23.040 19.551 7.689 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -23.970 18.243 6.951 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -21.166 16.167 6.443 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -22.914 16.335 6.248 1.00 0.00 H new ATOM 1063 N LEU A 72 -16.909 24.022 8.339 1.00 0.00 N ATOM 1064 CA LEU A 72 -16.369 25.200 7.670 1.00 0.00 C ATOM 1065 C LEU A 72 -15.008 25.578 8.245 1.00 0.00 C ATOM 1066 O LEU A 72 -14.251 26.332 7.634 1.00 0.00 O ATOM 1067 CB LEU A 72 -17.338 26.377 7.806 1.00 0.00 C ATOM 1068 CG LEU A 72 -18.189 26.691 6.575 1.00 0.00 C ATOM 1069 CD1 LEU A 72 -19.500 25.923 6.622 1.00 0.00 C ATOM 1070 CD2 LEU A 72 -18.448 28.187 6.474 1.00 0.00 C ATOM 0 H LEU A 72 -17.445 24.225 9.183 1.00 0.00 H new ATOM 0 HA LEU A 72 -16.242 24.961 6.614 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -18.006 26.177 8.643 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -16.763 27.267 8.062 1.00 0.00 H new ATOM 0 HG LEU A 72 -17.640 26.377 5.687 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -20.092 26.159 5.738 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -19.294 24.853 6.645 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -20.055 26.205 7.517 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -19.055 28.392 5.592 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -18.976 28.526 7.365 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -17.498 28.716 6.392 1.00 0.00 H new ATOM 1082 N VAL A 73 -14.702 25.047 9.425 1.00 0.00 N ATOM 1083 CA VAL A 73 -13.431 25.325 10.082 1.00 0.00 C ATOM 1084 C VAL A 73 -12.454 24.170 9.900 1.00 0.00 C ATOM 1085 O VAL A 73 -11.240 24.370 9.859 1.00 0.00 O ATOM 1086 CB VAL A 73 -13.623 25.589 11.588 1.00 0.00 C ATOM 1087 CG1 VAL A 73 -12.298 25.954 12.239 1.00 0.00 C ATOM 1088 CG2 VAL A 73 -14.655 26.684 11.809 1.00 0.00 C ATOM 0 H VAL A 73 -15.318 24.422 9.945 1.00 0.00 H new ATOM 0 HA VAL A 73 -13.022 26.220 9.613 1.00 0.00 H new ATOM 0 HB VAL A 73 -13.990 24.676 12.056 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -12.453 26.137 13.302 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -11.592 25.134 12.111 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -11.898 26.853 11.771 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -14.778 26.858 12.878 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -14.319 27.603 11.329 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -15.609 26.377 11.379 1.00 0.00 H new ATOM 1098 N PHE A 74 -12.991 22.959 9.791 1.00 0.00 N ATOM 1099 CA PHE A 74 -12.166 21.770 9.613 1.00 0.00 C ATOM 1100 C PHE A 74 -12.485 21.080 8.290 1.00 0.00 C ATOM 1101 O PHE A 74 -12.251 19.883 8.130 1.00 0.00 O ATOM 1102 CB PHE A 74 -12.382 20.796 10.774 1.00 0.00 C ATOM 1103 CG PHE A 74 -12.474 21.470 12.113 1.00 0.00 C ATOM 1104 CD1 PHE A 74 -11.426 22.242 12.588 1.00 0.00 C ATOM 1105 CD2 PHE A 74 -13.609 21.333 12.896 1.00 0.00 C ATOM 1106 CE1 PHE A 74 -11.508 22.863 13.820 1.00 0.00 C ATOM 1107 CE2 PHE A 74 -13.696 21.952 14.129 1.00 0.00 C ATOM 1108 CZ PHE A 74 -12.645 22.719 14.591 1.00 0.00 C ATOM 0 H PHE A 74 -13.994 22.775 9.823 1.00 0.00 H new ATOM 0 HA PHE A 74 -11.122 22.081 9.598 1.00 0.00 H new ATOM 0 HB2 PHE A 74 -13.297 20.230 10.598 1.00 0.00 H new ATOM 0 HB3 PHE A 74 -11.562 20.078 10.793 1.00 0.00 H new ATOM 0 HD1 PHE A 74 -10.535 22.360 11.989 1.00 0.00 H new ATOM 0 HD2 PHE A 74 -14.435 20.736 12.539 1.00 0.00 H new ATOM 0 HE1 PHE A 74 -10.683 23.461 14.180 1.00 0.00 H new ATOM 0 HE2 PHE A 74 -14.585 21.836 14.730 1.00 0.00 H new ATOM 0 HZ PHE A 74 -12.712 23.205 15.553 1.00 0.00 H new ATOM 1118 N GLY A 75 -13.020 21.845 7.344 1.00 0.00 N ATOM 1119 CA GLY A 75 -13.363 21.291 6.047 1.00 0.00 C ATOM 1120 C GLY A 75 -14.376 20.168 6.146 1.00 0.00 C ATOM 1121 O GLY A 75 -15.214 20.137 7.047 1.00 0.00 O ATOM 0 H GLY A 75 -13.222 22.839 7.452 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -13.762 22.082 5.412 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -12.459 20.920 5.563 1.00 0.00 H new ATOM 1125 N PRO A 76 -14.308 19.219 5.200 1.00 0.00 N ATOM 1126 CA PRO A 76 -15.220 18.072 5.162 1.00 0.00 C ATOM 1127 C PRO A 76 -14.966 17.092 6.303 1.00 0.00 C ATOM 1128 O PRO A 76 -15.723 16.139 6.496 1.00 0.00 O ATOM 1129 CB PRO A 76 -14.909 17.417 3.815 1.00 0.00 C ATOM 1130 CG PRO A 76 -13.506 17.818 3.513 1.00 0.00 C ATOM 1131 CD PRO A 76 -13.334 19.193 4.096 1.00 0.00 C ATOM 0 HA PRO A 76 -16.261 18.374 5.274 1.00 0.00 H new ATOM 0 HB2 PRO A 76 -15.008 16.333 3.870 1.00 0.00 H new ATOM 0 HB3 PRO A 76 -15.594 17.761 3.040 1.00 0.00 H new ATOM 0 HG2 PRO A 76 -12.797 17.116 3.952 1.00 0.00 H new ATOM 0 HG3 PRO A 76 -13.325 17.824 2.438 1.00 0.00 H new ATOM 0 HD2 PRO A 76 -12.317 19.354 4.453 1.00 0.00 H new ATOM 0 HD3 PRO A 76 -13.540 19.970 3.360 1.00 0.00 H new ATOM 1139 N LEU A 77 -13.899 17.332 7.056 1.00 0.00 N ATOM 1140 CA LEU A 77 -13.546 16.470 8.179 1.00 0.00 C ATOM 1141 C LEU A 77 -14.480 16.706 9.361 1.00 0.00 C ATOM 1142 O LEU A 77 -14.680 15.822 10.193 1.00 0.00 O ATOM 1143 CB LEU A 77 -12.097 16.718 8.602 1.00 0.00 C ATOM 1144 CG LEU A 77 -11.560 15.821 9.718 1.00 0.00 C ATOM 1145 CD1 LEU A 77 -11.735 14.355 9.355 1.00 0.00 C ATOM 1146 CD2 LEU A 77 -10.097 16.133 9.996 1.00 0.00 C ATOM 0 H LEU A 77 -13.263 18.116 6.910 1.00 0.00 H new ATOM 0 HA LEU A 77 -13.652 15.434 7.857 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -11.458 16.597 7.727 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -12.006 17.756 8.922 1.00 0.00 H new ATOM 0 HG LEU A 77 -12.131 16.020 10.625 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -11.347 13.732 10.161 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -12.793 14.140 9.208 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -11.190 14.140 8.436 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -9.732 15.485 10.793 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -9.511 15.963 9.093 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -9.999 17.175 10.302 1.00 0.00 H new ATOM 1158 N GLY A 78 -15.051 17.905 9.428 1.00 0.00 N ATOM 1159 CA GLY A 78 -15.960 18.235 10.510 1.00 0.00 C ATOM 1160 C GLY A 78 -17.061 17.207 10.676 1.00 0.00 C ATOM 1161 O GLY A 78 -17.417 16.844 11.798 1.00 0.00 O ATOM 0 H GLY A 78 -14.900 18.654 8.752 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -15.398 18.315 11.441 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -16.405 19.212 10.321 1.00 0.00 H new ATOM 1165 N ASP A 79 -17.604 16.738 9.558 1.00 0.00 N ATOM 1166 CA ASP A 79 -18.673 15.746 9.585 1.00 0.00 C ATOM 1167 C ASP A 79 -18.276 14.542 10.433 1.00 0.00 C ATOM 1168 O ASP A 79 -19.126 13.892 11.041 1.00 0.00 O ATOM 1169 CB ASP A 79 -19.013 15.293 8.164 1.00 0.00 C ATOM 1170 CG ASP A 79 -20.336 14.556 8.092 1.00 0.00 C ATOM 1171 OD1 ASP A 79 -21.206 14.814 8.950 1.00 0.00 O ATOM 1172 OD2 ASP A 79 -20.501 13.723 7.177 1.00 0.00 O ATOM 0 H ASP A 79 -17.322 17.029 8.622 1.00 0.00 H new ATOM 0 HA ASP A 79 -19.553 16.209 10.032 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -19.049 16.162 7.507 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -18.219 14.645 7.793 1.00 0.00 H new ATOM 1177 N GLN A 80 -16.979 14.250 10.468 1.00 0.00 N ATOM 1178 CA GLN A 80 -16.471 13.123 11.241 1.00 0.00 C ATOM 1179 C GLN A 80 -16.156 13.543 12.673 1.00 0.00 C ATOM 1180 O GLN A 80 -16.263 12.743 13.604 1.00 0.00 O ATOM 1181 CB GLN A 80 -15.218 12.547 10.579 1.00 0.00 C ATOM 1182 CG GLN A 80 -15.490 11.879 9.241 1.00 0.00 C ATOM 1183 CD GLN A 80 -16.634 10.886 9.307 1.00 0.00 C ATOM 1184 OE1 GLN A 80 -16.439 9.718 9.644 1.00 0.00 O ATOM 1185 NE2 GLN A 80 -17.837 11.347 8.983 1.00 0.00 N ATOM 0 H GLN A 80 -16.262 14.778 9.970 1.00 0.00 H new ATOM 0 HA GLN A 80 -17.245 12.356 11.268 1.00 0.00 H new ATOM 0 HB2 GLN A 80 -14.492 13.348 10.435 1.00 0.00 H new ATOM 0 HB3 GLN A 80 -14.762 11.821 11.252 1.00 0.00 H new ATOM 0 HG2 GLN A 80 -15.719 12.643 8.498 1.00 0.00 H new ATOM 0 HG3 GLN A 80 -14.588 11.367 8.905 1.00 0.00 H new ATOM 0 HE21 GLN A 80 -17.953 12.323 8.710 1.00 0.00 H new ATOM 0 HE22 GLN A 80 -18.645 10.725 9.008 1.00 0.00 H new ATOM 1194 N LEU A 81 -15.767 14.801 12.844 1.00 0.00 N ATOM 1195 CA LEU A 81 -15.436 15.328 14.163 1.00 0.00 C ATOM 1196 C LEU A 81 -16.692 15.504 15.010 1.00 0.00 C ATOM 1197 O LEU A 81 -16.673 15.282 16.221 1.00 0.00 O ATOM 1198 CB LEU A 81 -14.704 16.665 14.032 1.00 0.00 C ATOM 1199 CG LEU A 81 -13.402 16.641 13.230 1.00 0.00 C ATOM 1200 CD1 LEU A 81 -12.840 18.047 13.083 1.00 0.00 C ATOM 1201 CD2 LEU A 81 -12.384 15.724 13.893 1.00 0.00 C ATOM 0 H LEU A 81 -15.673 15.476 12.085 1.00 0.00 H new ATOM 0 HA LEU A 81 -14.783 14.611 14.659 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -15.380 17.383 13.568 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -14.484 17.036 15.033 1.00 0.00 H new ATOM 0 HG LEU A 81 -13.617 16.252 12.235 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -11.914 18.010 12.510 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -13.564 18.676 12.564 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -12.640 18.464 14.070 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -11.464 15.719 13.309 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -12.172 16.083 14.900 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -12.786 14.712 13.946 1.00 0.00 H new ATOM 1213 N HIS A 82 -17.784 15.903 14.364 1.00 0.00 N ATOM 1214 CA HIS A 82 -19.051 16.106 15.058 1.00 0.00 C ATOM 1215 C HIS A 82 -19.545 14.803 15.679 1.00 0.00 C ATOM 1216 O HIS A 82 -20.010 14.784 16.818 1.00 0.00 O ATOM 1217 CB HIS A 82 -20.102 16.656 14.093 1.00 0.00 C ATOM 1218 CG HIS A 82 -21.325 17.184 14.778 1.00 0.00 C ATOM 1219 ND1 HIS A 82 -22.462 16.430 14.974 1.00 0.00 N ATOM 1220 CD2 HIS A 82 -21.584 18.399 15.315 1.00 0.00 C ATOM 1221 CE1 HIS A 82 -23.368 17.158 15.601 1.00 0.00 C ATOM 1222 NE2 HIS A 82 -22.860 18.358 15.820 1.00 0.00 N ATOM 0 H HIS A 82 -17.817 16.092 13.362 1.00 0.00 H new ATOM 0 HA HIS A 82 -18.888 16.829 15.857 1.00 0.00 H new ATOM 0 HB2 HIS A 82 -19.656 17.453 13.498 1.00 0.00 H new ATOM 0 HB3 HIS A 82 -20.395 15.867 13.400 1.00 0.00 H new ATOM 0 HD2 HIS A 82 -20.912 19.244 15.341 1.00 0.00 H new ATOM 0 HE1 HIS A 82 -24.356 16.829 15.886 1.00 0.00 H new ATOM 0 HE2 HIS A 82 -23.338 19.128 16.288 1.00 0.00 H new ATOM 1230 N ALA A 83 -19.442 13.715 14.921 1.00 0.00 N ATOM 1231 CA ALA A 83 -19.877 12.409 15.398 1.00 0.00 C ATOM 1232 C ALA A 83 -19.205 12.054 16.720 1.00 0.00 C ATOM 1233 O ALA A 83 -19.866 11.636 17.669 1.00 0.00 O ATOM 1234 CB ALA A 83 -19.586 11.342 14.352 1.00 0.00 C ATOM 0 H ALA A 83 -19.061 13.713 13.975 1.00 0.00 H new ATOM 0 HA ALA A 83 -20.953 12.452 15.569 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -19.916 10.371 14.721 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -20.119 11.580 13.431 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -18.515 11.310 14.153 1.00 0.00 H new ATOM 1240 N GLN A 84 -17.888 12.223 16.772 1.00 0.00 N ATOM 1241 CA GLN A 84 -17.126 11.919 17.978 1.00 0.00 C ATOM 1242 C GLN A 84 -17.565 12.808 19.137 1.00 0.00 C ATOM 1243 O GLN A 84 -17.882 12.319 20.223 1.00 0.00 O ATOM 1244 CB GLN A 84 -15.629 12.099 17.720 1.00 0.00 C ATOM 1245 CG GLN A 84 -14.957 10.860 17.151 1.00 0.00 C ATOM 1246 CD GLN A 84 -14.427 9.936 18.230 1.00 0.00 C ATOM 1247 OE1 GLN A 84 -15.022 8.899 18.524 1.00 0.00 O ATOM 1248 NE2 GLN A 84 -13.300 10.308 18.827 1.00 0.00 N ATOM 0 H GLN A 84 -17.326 12.569 15.994 1.00 0.00 H new ATOM 0 HA GLN A 84 -17.318 10.880 18.247 1.00 0.00 H new ATOM 0 HB2 GLN A 84 -15.485 12.930 17.029 1.00 0.00 H new ATOM 0 HB3 GLN A 84 -15.138 12.372 18.654 1.00 0.00 H new ATOM 0 HG2 GLN A 84 -15.670 10.317 16.531 1.00 0.00 H new ATOM 0 HG3 GLN A 84 -14.136 11.163 16.501 1.00 0.00 H new ATOM 0 HE21 GLN A 84 -12.840 11.176 18.552 1.00 0.00 H new ATOM 0 HE22 GLN A 84 -12.895 9.726 19.560 1.00 0.00 H new ATOM 1257 N LEU A 85 -17.581 14.115 18.901 1.00 0.00 N ATOM 1258 CA LEU A 85 -17.981 15.073 19.926 1.00 0.00 C ATOM 1259 C LEU A 85 -19.378 14.758 20.450 1.00 0.00 C ATOM 1260 O LEU A 85 -19.669 14.958 21.629 1.00 0.00 O ATOM 1261 CB LEU A 85 -17.942 16.495 19.365 1.00 0.00 C ATOM 1262 CG LEU A 85 -16.599 17.220 19.465 1.00 0.00 C ATOM 1263 CD1 LEU A 85 -16.594 18.458 18.582 1.00 0.00 C ATOM 1264 CD2 LEU A 85 -16.300 17.592 20.910 1.00 0.00 C ATOM 0 H LEU A 85 -17.322 14.536 18.009 1.00 0.00 H new ATOM 0 HA LEU A 85 -17.277 14.997 20.755 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -18.235 16.458 18.316 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -18.693 17.090 19.885 1.00 0.00 H new ATOM 0 HG LEU A 85 -15.817 16.546 19.115 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -15.631 18.961 18.666 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -16.762 18.166 17.545 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -17.386 19.136 18.901 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -15.341 18.107 20.962 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -17.085 18.248 21.287 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -16.260 16.688 21.518 1.00 0.00 H new ATOM 1276 N ARG A 86 -20.238 14.263 19.566 1.00 0.00 N ATOM 1277 CA ARG A 86 -21.605 13.920 19.940 1.00 0.00 C ATOM 1278 C ARG A 86 -21.619 12.845 21.023 1.00 0.00 C ATOM 1279 O ARG A 86 -22.518 12.807 21.863 1.00 0.00 O ATOM 1280 CB ARG A 86 -22.385 13.435 18.716 1.00 0.00 C ATOM 1281 CG ARG A 86 -23.180 14.532 18.027 1.00 0.00 C ATOM 1282 CD ARG A 86 -24.541 14.031 17.571 1.00 0.00 C ATOM 1283 NE ARG A 86 -25.565 15.069 17.658 1.00 0.00 N ATOM 1284 CZ ARG A 86 -26.132 15.448 18.798 1.00 0.00 C ATOM 1285 NH1 ARG A 86 -25.776 14.878 19.941 1.00 0.00 N ATOM 1286 NH2 ARG A 86 -27.056 16.400 18.796 1.00 0.00 N ATOM 0 H ARG A 86 -20.013 14.091 18.586 1.00 0.00 H new ATOM 0 HA ARG A 86 -22.082 14.817 20.335 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -21.688 12.999 18.001 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -23.066 12.641 19.021 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -23.310 15.372 18.709 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -22.621 14.903 17.168 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -24.471 13.677 16.543 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -24.837 13.178 18.182 1.00 0.00 H new ATOM 0 HE ARG A 86 -25.861 15.528 16.796 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -25.065 14.147 19.946 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -26.213 15.171 20.815 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -27.332 16.841 17.919 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -27.491 16.690 19.672 1.00 0.00 H new ATOM 1300 N ASP A 87 -20.617 11.973 20.996 1.00 0.00 N ATOM 1301 CA ASP A 87 -20.513 10.897 21.976 1.00 0.00 C ATOM 1302 C ASP A 87 -19.869 11.397 23.265 1.00 0.00 C ATOM 1303 O ASP A 87 -20.203 10.936 24.358 1.00 0.00 O ATOM 1304 CB ASP A 87 -19.703 9.734 21.403 1.00 0.00 C ATOM 1305 CG ASP A 87 -20.571 8.541 21.053 1.00 0.00 C ATOM 1306 OD1 ASP A 87 -21.621 8.741 20.409 1.00 0.00 O ATOM 1307 OD2 ASP A 87 -20.199 7.407 21.423 1.00 0.00 O ATOM 0 H ASP A 87 -19.865 11.990 20.307 1.00 0.00 H new ATOM 0 HA ASP A 87 -21.520 10.549 22.206 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -19.173 10.069 20.511 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -18.947 9.430 22.127 1.00 0.00 H new ATOM 1312 N LEU A 88 -18.943 12.340 23.131 1.00 0.00 N ATOM 1313 CA LEU A 88 -18.250 12.902 24.285 1.00 0.00 C ATOM 1314 C LEU A 88 -19.228 13.611 25.216 1.00 0.00 C ATOM 1315 O LEU A 88 -19.260 13.349 26.418 1.00 0.00 O ATOM 1316 CB LEU A 88 -17.165 13.878 23.827 1.00 0.00 C ATOM 1317 CG LEU A 88 -15.909 13.251 23.221 1.00 0.00 C ATOM 1318 CD1 LEU A 88 -15.177 14.258 22.348 1.00 0.00 C ATOM 1319 CD2 LEU A 88 -14.993 12.726 24.316 1.00 0.00 C ATOM 0 H LEU A 88 -18.655 12.732 22.234 1.00 0.00 H new ATOM 0 HA LEU A 88 -17.785 12.082 24.833 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -17.600 14.554 23.091 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -16.867 14.486 24.681 1.00 0.00 H new ATOM 0 HG LEU A 88 -16.212 12.411 22.595 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -14.286 13.793 21.926 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -15.833 14.585 21.541 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -14.887 15.119 22.951 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -14.104 12.283 23.866 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -14.698 13.548 24.969 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -15.519 11.970 24.899 1.00 0.00 H new