USER MOD reduce.3.24.130724 H: found=0, std=0, add=550, rem=0, adj=13 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 -165:sc= 0.0522 USER MOD Set 1.2: A 84 GLN : amide:sc= -0.16 K(o=-0.11,f=-0.64) USER MOD Set 2.1: A 57 MET CE :methyl 176:sc= -0.139 (180deg=-0.158) USER MOD Set 2.2: A 65 CYS SG : rot -35:sc= 0.0814 USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 23 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 25 GLN : amide:sc= 0 X(o=0,f=-0.15) 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= -1.99 K(o=-2,f=-0.94) USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 39 GLN : amide:sc= -3.17! C(o=-3.2!,f=-7.3!) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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= -1.07 USER MOD Single : A 48 SER OG : rot -53:sc= 0.754 USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 55 CYS SG : rot -53:sc= -0.0246 USER MOD Single : A 61 THR OG1 : rot 180:sc= 0 USER MOD Single : A 63 CYS SG : rot 180:sc= 0 USER MOD Single : A 64 ASN : amide:sc= -0.966 K(o=-0.97,f=-2.3) USER MOD Single : A 80 GLN : amide:sc= -1.97 K(o=-2,f=-3.8!) USER MOD Single : A 82 HIS : no HD1:sc= -0.821 X(o=-0.82,f=-1.2) USER MOD ----------------------------------------------------------------- ATOM 203 N ALA A 17 -3.604 11.640 26.869 1.00 0.00 N ATOM 204 CA ALA A 17 -4.069 12.753 26.051 1.00 0.00 C ATOM 205 C ALA A 17 -4.434 13.955 26.916 1.00 0.00 C ATOM 206 O ALA A 17 -5.083 13.812 27.952 1.00 0.00 O ATOM 207 CB ALA A 17 -5.262 12.326 25.208 1.00 0.00 C ATOM 0 HA ALA A 17 -3.256 13.049 25.388 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -5.599 13.167 24.602 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -4.971 11.503 24.556 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -6.072 12.002 25.862 1.00 0.00 H new ATOM 213 N SER A 18 -4.011 15.139 26.485 1.00 0.00 N ATOM 214 CA SER A 18 -4.289 16.366 27.223 1.00 0.00 C ATOM 215 C SER A 18 -5.792 16.608 27.326 1.00 0.00 C ATOM 216 O SER A 18 -6.251 17.371 28.176 1.00 0.00 O ATOM 217 CB SER A 18 -3.614 17.559 26.544 1.00 0.00 C ATOM 218 OG SER A 18 -2.727 18.217 27.432 1.00 0.00 O ATOM 0 H SER A 18 -3.474 15.275 25.628 1.00 0.00 H new ATOM 0 HA SER A 18 -3.886 16.255 28.230 1.00 0.00 H new ATOM 0 HB2 SER A 18 -3.067 17.219 25.664 1.00 0.00 H new ATOM 0 HB3 SER A 18 -4.372 18.261 26.197 1.00 0.00 H new ATOM 0 HG SER A 18 -2.307 18.975 26.973 1.00 0.00 H new ATOM 224 N TRP A 19 -6.551 15.954 26.455 1.00 0.00 N ATOM 225 CA TRP A 19 -8.003 16.098 26.448 1.00 0.00 C ATOM 226 C TRP A 19 -8.680 14.815 26.917 1.00 0.00 C ATOM 227 O TRP A 19 -9.870 14.606 26.678 1.00 0.00 O ATOM 228 CB TRP A 19 -8.492 16.464 25.045 1.00 0.00 C ATOM 229 CG TRP A 19 -7.851 15.652 23.962 1.00 0.00 C ATOM 230 CD1 TRP A 19 -6.728 15.971 23.253 1.00 0.00 C ATOM 231 CD2 TRP A 19 -8.296 14.386 23.462 1.00 0.00 C ATOM 232 NE1 TRP A 19 -6.448 14.981 22.343 1.00 0.00 N ATOM 233 CE2 TRP A 19 -7.395 13.996 22.452 1.00 0.00 C ATOM 234 CE3 TRP A 19 -9.366 13.543 23.771 1.00 0.00 C ATOM 235 CZ2 TRP A 19 -7.534 12.802 21.751 1.00 0.00 C ATOM 236 CZ3 TRP A 19 -9.504 12.357 23.074 1.00 0.00 C ATOM 237 CH2 TRP A 19 -8.592 11.995 22.074 1.00 0.00 C ATOM 0 H TRP A 19 -6.186 15.319 25.745 1.00 0.00 H new ATOM 0 HA TRP A 19 -8.267 16.899 27.139 1.00 0.00 H new ATOM 0 HB2 TRP A 19 -9.573 16.330 24.998 1.00 0.00 H new ATOM 0 HB3 TRP A 19 -8.294 17.520 24.863 1.00 0.00 H new ATOM 0 HD1 TRP A 19 -6.145 16.870 23.388 1.00 0.00 H new ATOM 0 HE1 TRP A 19 -5.663 14.979 21.692 1.00 0.00 H new ATOM 0 HE3 TRP A 19 -10.073 13.813 24.541 1.00 0.00 H new ATOM 0 HZ2 TRP A 19 -6.832 12.522 20.979 1.00 0.00 H new ATOM 0 HZ3 TRP A 19 -10.329 11.699 23.304 1.00 0.00 H new ATOM 0 HH2 TRP A 19 -8.726 11.061 21.548 1.00 0.00 H new ATOM 248 N LEU A 20 -7.915 13.959 27.586 1.00 0.00 N ATOM 249 CA LEU A 20 -8.442 12.695 28.089 1.00 0.00 C ATOM 250 C LEU A 20 -8.696 12.771 29.592 1.00 0.00 C ATOM 251 O LEU A 20 -7.787 13.049 30.372 1.00 0.00 O ATOM 252 CB LEU A 20 -7.469 11.556 27.782 1.00 0.00 C ATOM 253 CG LEU A 20 -7.805 10.697 26.562 1.00 0.00 C ATOM 254 CD1 LEU A 20 -6.742 9.630 26.352 1.00 0.00 C ATOM 255 CD2 LEU A 20 -9.178 10.061 26.719 1.00 0.00 C ATOM 0 H LEU A 20 -6.929 14.117 27.793 1.00 0.00 H new ATOM 0 HA LEU A 20 -9.390 12.500 27.588 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -6.476 11.982 27.639 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -7.415 10.906 28.655 1.00 0.00 H new ATOM 0 HG LEU A 20 -7.824 11.341 25.682 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -6.998 9.028 25.480 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -5.775 10.106 26.193 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -6.691 8.989 27.232 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -9.400 9.454 25.842 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -9.188 9.431 27.608 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -9.931 10.842 26.820 1.00 0.00 H new ATOM 267 N GLY A 21 -9.940 12.520 29.990 1.00 0.00 N ATOM 268 CA GLY A 21 -10.290 12.563 31.398 1.00 0.00 C ATOM 269 C GLY A 21 -11.240 13.698 31.724 1.00 0.00 C ATOM 270 O GLY A 21 -11.902 13.683 32.761 1.00 0.00 O ATOM 0 H GLY A 21 -10.711 12.288 29.363 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -10.748 11.616 31.685 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -9.382 12.671 31.992 1.00 0.00 H new ATOM 274 N GLU A 22 -11.306 14.686 30.837 1.00 0.00 N ATOM 275 CA GLU A 22 -12.180 15.836 31.039 1.00 0.00 C ATOM 276 C GLU A 22 -13.171 15.974 29.887 1.00 0.00 C ATOM 277 O GLU A 22 -12.837 15.709 28.732 1.00 0.00 O ATOM 278 CB GLU A 22 -11.353 17.117 31.171 1.00 0.00 C ATOM 279 CG GLU A 22 -12.134 18.290 31.738 1.00 0.00 C ATOM 280 CD GLU A 22 -12.361 18.171 33.233 1.00 0.00 C ATOM 281 OE1 GLU A 22 -11.372 18.261 33.991 1.00 0.00 O ATOM 282 OE2 GLU A 22 -13.525 17.988 33.645 1.00 0.00 O ATOM 0 H GLU A 22 -10.765 14.713 29.972 1.00 0.00 H new ATOM 0 HA GLU A 22 -12.740 15.677 31.961 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -10.493 16.920 31.812 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -10.964 17.391 30.190 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -11.597 19.215 31.528 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -13.097 18.359 31.232 1.00 0.00 H new ATOM 289 N GLN A 23 -14.391 16.390 30.210 1.00 0.00 N ATOM 290 CA GLN A 23 -15.432 16.562 29.203 1.00 0.00 C ATOM 291 C GLN A 23 -15.006 17.579 28.149 1.00 0.00 C ATOM 292 O GLN A 23 -14.109 18.394 28.365 1.00 0.00 O ATOM 293 CB GLN A 23 -16.739 17.007 29.861 1.00 0.00 C ATOM 294 CG GLN A 23 -17.605 15.853 30.337 1.00 0.00 C ATOM 295 CD GLN A 23 -18.858 16.319 31.051 1.00 0.00 C ATOM 296 OE1 GLN A 23 -19.941 16.358 30.467 1.00 0.00 O ATOM 297 NE2 GLN A 23 -18.718 16.676 32.323 1.00 0.00 N ATOM 0 H GLN A 23 -14.683 16.614 31.161 1.00 0.00 H new ATOM 0 HA GLN A 23 -15.590 15.602 28.712 1.00 0.00 H new ATOM 0 HB2 GLN A 23 -16.508 17.651 30.710 1.00 0.00 H new ATOM 0 HB3 GLN A 23 -17.307 17.608 29.151 1.00 0.00 H new ATOM 0 HG2 GLN A 23 -17.886 15.238 29.482 1.00 0.00 H new ATOM 0 HG3 GLN A 23 -17.024 15.220 31.007 1.00 0.00 H new ATOM 0 HE21 GLN A 23 -17.802 16.628 32.768 1.00 0.00 H new ATOM 0 HE22 GLN A 23 -19.527 16.998 32.854 1.00 0.00 H new ATOM 306 N PRO A 24 -15.664 17.531 26.981 1.00 0.00 N ATOM 307 CA PRO A 24 -15.371 18.442 25.870 1.00 0.00 C ATOM 308 C PRO A 24 -15.801 19.875 26.166 1.00 0.00 C ATOM 309 O PRO A 24 -15.488 20.794 25.411 1.00 0.00 O ATOM 310 CB PRO A 24 -16.191 17.866 24.714 1.00 0.00 C ATOM 311 CG PRO A 24 -17.307 17.128 25.371 1.00 0.00 C ATOM 312 CD PRO A 24 -16.744 16.586 26.655 1.00 0.00 C ATOM 0 HA PRO A 24 -14.302 18.503 25.664 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -16.567 18.656 24.064 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -15.589 17.202 24.094 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -18.152 17.789 25.563 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -17.671 16.322 24.733 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -17.498 16.551 27.441 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -16.366 15.571 26.531 1.00 0.00 H new ATOM 320 N GLN A 25 -16.519 20.056 27.270 1.00 0.00 N ATOM 321 CA GLN A 25 -16.991 21.378 27.665 1.00 0.00 C ATOM 322 C GLN A 25 -15.924 22.122 28.461 1.00 0.00 C ATOM 323 O GLN A 25 -15.918 23.352 28.512 1.00 0.00 O ATOM 324 CB GLN A 25 -18.272 21.259 28.492 1.00 0.00 C ATOM 325 CG GLN A 25 -19.299 20.312 27.892 1.00 0.00 C ATOM 326 CD GLN A 25 -20.695 20.901 27.873 1.00 0.00 C ATOM 327 OE1 GLN A 25 -20.906 22.013 27.387 1.00 0.00 O ATOM 328 NE2 GLN A 25 -21.659 20.158 28.404 1.00 0.00 N ATOM 0 H GLN A 25 -16.786 19.305 27.906 1.00 0.00 H new ATOM 0 HA GLN A 25 -17.203 21.946 26.759 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -18.016 20.916 29.495 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -18.720 22.247 28.597 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -19.002 20.058 26.874 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -19.308 19.383 28.463 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -21.440 19.242 28.796 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -22.619 20.503 28.420 1.00 0.00 H new ATOM 337 N PHE A 26 -15.023 21.368 29.081 1.00 0.00 N ATOM 338 CA PHE A 26 -13.951 21.956 29.877 1.00 0.00 C ATOM 339 C PHE A 26 -12.600 21.765 29.195 1.00 0.00 C ATOM 340 O PHE A 26 -11.619 21.385 29.834 1.00 0.00 O ATOM 341 CB PHE A 26 -13.924 21.333 31.274 1.00 0.00 C ATOM 342 CG PHE A 26 -15.215 21.488 32.025 1.00 0.00 C ATOM 343 CD1 PHE A 26 -16.254 20.592 31.834 1.00 0.00 C ATOM 344 CD2 PHE A 26 -15.390 22.529 32.922 1.00 0.00 C ATOM 345 CE1 PHE A 26 -17.444 20.732 32.524 1.00 0.00 C ATOM 346 CE2 PHE A 26 -16.577 22.675 33.615 1.00 0.00 C ATOM 347 CZ PHE A 26 -17.605 21.774 33.416 1.00 0.00 C ATOM 0 H PHE A 26 -15.013 20.349 29.048 1.00 0.00 H new ATOM 0 HA PHE A 26 -14.144 23.025 29.968 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -13.690 20.272 31.185 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -13.120 21.790 31.851 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -16.133 19.775 31.138 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -14.589 23.235 33.082 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -18.247 20.027 32.366 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -16.700 23.492 34.311 1.00 0.00 H new ATOM 0 HZ PHE A 26 -18.533 21.884 33.957 1.00 0.00 H new ATOM 357 N TRP A 27 -12.557 22.030 27.894 1.00 0.00 N ATOM 358 CA TRP A 27 -11.327 21.886 27.125 1.00 0.00 C ATOM 359 C TRP A 27 -10.624 23.230 26.965 1.00 0.00 C ATOM 360 O TRP A 27 -11.256 24.284 27.044 1.00 0.00 O ATOM 361 CB TRP A 27 -11.627 21.287 25.750 1.00 0.00 C ATOM 362 CG TRP A 27 -11.725 19.792 25.762 1.00 0.00 C ATOM 363 CD1 TRP A 27 -11.703 18.978 26.858 1.00 0.00 C ATOM 364 CD2 TRP A 27 -11.859 18.933 24.625 1.00 0.00 C ATOM 365 NE1 TRP A 27 -11.815 17.664 26.471 1.00 0.00 N ATOM 366 CE2 TRP A 27 -11.913 17.610 25.106 1.00 0.00 C ATOM 367 CE3 TRP A 27 -11.942 19.152 23.247 1.00 0.00 C ATOM 368 CZ2 TRP A 27 -12.044 16.514 24.257 1.00 0.00 C ATOM 369 CZ3 TRP A 27 -12.071 18.064 22.406 1.00 0.00 C ATOM 370 CH2 TRP A 27 -12.122 16.758 22.913 1.00 0.00 C ATOM 0 H TRP A 27 -13.360 22.346 27.350 1.00 0.00 H new ATOM 0 HA TRP A 27 -10.665 21.213 27.670 1.00 0.00 H new ATOM 0 HB2 TRP A 27 -12.563 21.702 25.377 1.00 0.00 H new ATOM 0 HB3 TRP A 27 -10.845 21.587 25.052 1.00 0.00 H new ATOM 0 HD1 TRP A 27 -11.611 19.317 27.879 1.00 0.00 H new ATOM 0 HE1 TRP A 27 -11.824 16.860 27.098 1.00 0.00 H new ATOM 0 HE3 TRP A 27 -11.906 20.154 22.847 1.00 0.00 H new ATOM 0 HZ2 TRP A 27 -12.083 15.507 24.646 1.00 0.00 H new ATOM 0 HZ3 TRP A 27 -12.134 18.222 21.339 1.00 0.00 H new ATOM 0 HH2 TRP A 27 -12.225 15.928 22.229 1.00 0.00 H new ATOM 381 N SER A 28 -9.315 23.186 26.741 1.00 0.00 N ATOM 382 CA SER A 28 -8.527 24.401 26.574 1.00 0.00 C ATOM 383 C SER A 28 -8.234 24.661 25.099 1.00 0.00 C ATOM 384 O SER A 28 -8.443 23.793 24.251 1.00 0.00 O ATOM 385 CB SER A 28 -7.215 24.296 27.355 1.00 0.00 C ATOM 386 OG SER A 28 -6.664 25.577 27.602 1.00 0.00 O ATOM 0 H SER A 28 -8.778 22.322 26.671 1.00 0.00 H new ATOM 0 HA SER A 28 -9.108 25.237 26.964 1.00 0.00 H new ATOM 0 HB2 SER A 28 -7.391 23.784 28.301 1.00 0.00 H new ATOM 0 HB3 SER A 28 -6.502 23.692 26.794 1.00 0.00 H new ATOM 0 HG SER A 28 -5.828 25.482 28.104 1.00 0.00 H new ATOM 392 N LYS A 29 -7.750 25.861 24.801 1.00 0.00 N ATOM 393 CA LYS A 29 -7.426 26.237 23.430 1.00 0.00 C ATOM 394 C LYS A 29 -6.427 25.260 22.819 1.00 0.00 C ATOM 395 O LYS A 29 -6.404 25.057 21.604 1.00 0.00 O ATOM 396 CB LYS A 29 -6.857 27.657 23.389 1.00 0.00 C ATOM 397 CG LYS A 29 -7.905 28.738 23.589 1.00 0.00 C ATOM 398 CD LYS A 29 -7.345 29.923 24.358 1.00 0.00 C ATOM 399 CE LYS A 29 -8.390 31.012 24.543 1.00 0.00 C ATOM 400 NZ LYS A 29 -7.775 32.368 24.588 1.00 0.00 N ATOM 0 H LYS A 29 -7.573 26.591 25.491 1.00 0.00 H new ATOM 0 HA LYS A 29 -8.345 26.203 22.844 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -6.093 27.756 24.160 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -6.363 27.814 22.430 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -8.272 29.073 22.619 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -8.758 28.324 24.127 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -6.989 29.590 25.333 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -6.485 30.329 23.826 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -9.110 30.967 23.726 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -8.942 30.833 25.465 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -8.520 33.083 24.715 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -7.106 32.420 25.383 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -7.269 32.550 23.698 1.00 0.00 H new ATOM 414 N THR A 30 -5.603 24.655 23.668 1.00 0.00 N ATOM 415 CA THR A 30 -4.602 23.699 23.212 1.00 0.00 C ATOM 416 C THR A 30 -5.201 22.306 23.060 1.00 0.00 C ATOM 417 O THR A 30 -4.948 21.616 22.073 1.00 0.00 O ATOM 418 CB THR A 30 -3.408 23.629 24.183 1.00 0.00 C ATOM 419 OG1 THR A 30 -3.132 24.929 24.715 1.00 0.00 O ATOM 420 CG2 THR A 30 -2.171 23.088 23.482 1.00 0.00 C ATOM 0 H THR A 30 -5.609 24.810 24.676 1.00 0.00 H new ATOM 0 HA THR A 30 -4.251 24.048 22.241 1.00 0.00 H new ATOM 0 HB THR A 30 -3.669 22.953 24.997 1.00 0.00 H new ATOM 0 HG1 THR A 30 -2.373 24.875 25.332 1.00 0.00 H new ATOM 0 HG21 THR A 30 -1.341 23.048 24.188 1.00 0.00 H new ATOM 0 HG22 THR A 30 -2.375 22.086 23.105 1.00 0.00 H new ATOM 0 HG23 THR A 30 -1.909 23.742 22.650 1.00 0.00 H new ATOM 428 N GLN A 31 -5.997 21.899 24.044 1.00 0.00 N ATOM 429 CA GLN A 31 -6.633 20.587 24.018 1.00 0.00 C ATOM 430 C GLN A 31 -7.395 20.376 22.714 1.00 0.00 C ATOM 431 O GLN A 31 -7.284 19.326 22.081 1.00 0.00 O ATOM 432 CB GLN A 31 -7.582 20.433 25.208 1.00 0.00 C ATOM 433 CG GLN A 31 -6.883 20.492 26.556 1.00 0.00 C ATOM 434 CD GLN A 31 -7.844 20.342 27.719 1.00 0.00 C ATOM 435 OE1 GLN A 31 -7.797 21.110 28.681 1.00 0.00 O ATOM 436 NE2 GLN A 31 -8.723 19.351 27.637 1.00 0.00 N ATOM 0 H GLN A 31 -6.217 22.458 24.868 1.00 0.00 H new ATOM 0 HA GLN A 31 -5.851 19.831 24.086 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -8.336 21.219 25.165 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -8.108 19.482 25.122 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -6.132 19.704 26.606 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -6.355 21.441 26.646 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -8.726 18.738 26.821 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -9.395 19.202 28.390 1.00 0.00 H new ATOM 445 N VAL A 32 -8.168 21.382 22.317 1.00 0.00 N ATOM 446 CA VAL A 32 -8.948 21.307 21.087 1.00 0.00 C ATOM 447 C VAL A 32 -8.073 20.907 19.905 1.00 0.00 C ATOM 448 O VAL A 32 -8.239 19.829 19.332 1.00 0.00 O ATOM 449 CB VAL A 32 -9.632 22.651 20.774 1.00 0.00 C ATOM 450 CG1 VAL A 32 -10.433 22.555 19.485 1.00 0.00 C ATOM 451 CG2 VAL A 32 -10.520 23.079 21.933 1.00 0.00 C ATOM 0 H VAL A 32 -8.271 22.258 22.829 1.00 0.00 H new ATOM 0 HA VAL A 32 -9.713 20.546 21.243 1.00 0.00 H new ATOM 0 HB VAL A 32 -8.860 23.409 20.638 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -10.909 23.514 19.280 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -9.767 22.297 18.661 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -11.198 21.785 19.588 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -10.995 24.031 21.695 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -11.286 22.323 22.103 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -9.915 23.191 22.833 1.00 0.00 H new ATOM 461 N LEU A 33 -7.140 21.781 19.544 1.00 0.00 N ATOM 462 CA LEU A 33 -6.237 21.519 18.429 1.00 0.00 C ATOM 463 C LEU A 33 -5.531 20.179 18.603 1.00 0.00 C ATOM 464 O LEU A 33 -5.185 19.516 17.625 1.00 0.00 O ATOM 465 CB LEU A 33 -5.204 22.641 18.309 1.00 0.00 C ATOM 466 CG LEU A 33 -5.745 24.009 17.890 1.00 0.00 C ATOM 467 CD1 LEU A 33 -4.861 25.121 18.432 1.00 0.00 C ATOM 468 CD2 LEU A 33 -5.849 24.099 16.374 1.00 0.00 C ATOM 0 H LEU A 33 -6.989 22.677 20.007 1.00 0.00 H new ATOM 0 HA LEU A 33 -6.830 21.480 17.515 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -4.702 22.750 19.270 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -4.447 22.335 17.587 1.00 0.00 H new ATOM 0 HG LEU A 33 -6.743 24.129 18.311 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -5.261 26.087 18.124 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -4.837 25.069 19.520 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -3.850 25.006 18.041 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -6.236 25.079 16.093 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -4.862 23.958 15.933 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -6.524 23.325 16.009 1.00 0.00 H new ATOM 480 N ASP A 34 -5.321 19.785 19.855 1.00 0.00 N ATOM 481 CA ASP A 34 -4.659 18.522 20.158 1.00 0.00 C ATOM 482 C ASP A 34 -5.559 17.340 19.814 1.00 0.00 C ATOM 483 O ASP A 34 -5.082 16.283 19.400 1.00 0.00 O ATOM 484 CB ASP A 34 -4.268 18.468 21.636 1.00 0.00 C ATOM 485 CG ASP A 34 -2.804 18.793 21.860 1.00 0.00 C ATOM 486 OD1 ASP A 34 -1.954 18.217 21.151 1.00 0.00 O ATOM 487 OD2 ASP A 34 -2.509 19.623 22.746 1.00 0.00 O ATOM 0 H ASP A 34 -5.600 20.322 20.676 1.00 0.00 H new ATOM 0 HA ASP A 34 -3.757 18.458 19.549 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -4.883 19.171 22.197 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -4.481 17.474 22.029 1.00 0.00 H new ATOM 492 N TRP A 35 -6.863 17.525 19.989 1.00 0.00 N ATOM 493 CA TRP A 35 -7.830 16.473 19.697 1.00 0.00 C ATOM 494 C TRP A 35 -8.025 16.315 18.193 1.00 0.00 C ATOM 495 O TRP A 35 -8.282 15.214 17.705 1.00 0.00 O ATOM 496 CB TRP A 35 -9.169 16.783 20.368 1.00 0.00 C ATOM 497 CG TRP A 35 -10.268 15.848 19.962 1.00 0.00 C ATOM 498 CD1 TRP A 35 -10.460 14.570 20.401 1.00 0.00 C ATOM 499 CD2 TRP A 35 -11.323 16.119 19.033 1.00 0.00 C ATOM 500 NE1 TRP A 35 -11.572 14.029 19.801 1.00 0.00 N ATOM 501 CE2 TRP A 35 -12.120 14.960 18.958 1.00 0.00 C ATOM 502 CE3 TRP A 35 -11.674 17.228 18.259 1.00 0.00 C ATOM 503 CZ2 TRP A 35 -13.243 14.880 18.139 1.00 0.00 C ATOM 504 CZ3 TRP A 35 -12.789 17.148 17.446 1.00 0.00 C ATOM 505 CH2 TRP A 35 -13.563 15.981 17.392 1.00 0.00 C ATOM 0 H TRP A 35 -7.275 18.393 20.331 1.00 0.00 H new ATOM 0 HA TRP A 35 -7.441 15.535 20.094 1.00 0.00 H new ATOM 0 HB2 TRP A 35 -9.044 16.737 21.450 1.00 0.00 H new ATOM 0 HB3 TRP A 35 -9.462 17.804 20.124 1.00 0.00 H new ATOM 0 HD1 TRP A 35 -9.831 14.059 21.115 1.00 0.00 H new ATOM 0 HE1 TRP A 35 -11.931 13.087 19.958 1.00 0.00 H new ATOM 0 HE3 TRP A 35 -11.084 18.132 18.295 1.00 0.00 H new ATOM 0 HZ2 TRP A 35 -13.840 13.981 18.095 1.00 0.00 H new ATOM 0 HZ3 TRP A 35 -13.068 17.999 16.842 1.00 0.00 H new ATOM 0 HH2 TRP A 35 -14.429 15.950 16.748 1.00 0.00 H new ATOM 516 N ILE A 36 -7.902 17.419 17.465 1.00 0.00 N ATOM 517 CA ILE A 36 -8.064 17.401 16.017 1.00 0.00 C ATOM 518 C ILE A 36 -7.034 16.489 15.360 1.00 0.00 C ATOM 519 O ILE A 36 -7.382 15.610 14.572 1.00 0.00 O ATOM 520 CB ILE A 36 -7.938 18.814 15.419 1.00 0.00 C ATOM 521 CG1 ILE A 36 -8.977 19.750 16.039 1.00 0.00 C ATOM 522 CG2 ILE A 36 -8.097 18.766 13.906 1.00 0.00 C ATOM 523 CD1 ILE A 36 -8.908 21.166 15.511 1.00 0.00 C ATOM 0 H ILE A 36 -7.691 18.338 17.854 1.00 0.00 H new ATOM 0 HA ILE A 36 -9.065 17.019 15.816 1.00 0.00 H new ATOM 0 HB ILE A 36 -6.945 19.201 15.649 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -9.973 19.349 15.851 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -8.839 19.767 17.120 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -8.005 19.773 13.498 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -7.322 18.130 13.479 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -9.078 18.361 13.656 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -9.673 21.773 15.995 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -7.925 21.586 15.723 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -9.076 21.161 14.434 1.00 0.00 H new ATOM 535 N SER A 37 -5.765 16.703 15.692 1.00 0.00 N ATOM 536 CA SER A 37 -4.683 15.901 15.132 1.00 0.00 C ATOM 537 C SER A 37 -4.970 14.411 15.297 1.00 0.00 C ATOM 538 O SER A 37 -4.635 13.604 14.430 1.00 0.00 O ATOM 539 CB SER A 37 -3.357 16.254 15.807 1.00 0.00 C ATOM 540 OG SER A 37 -2.339 15.337 15.444 1.00 0.00 O ATOM 0 H SER A 37 -5.461 17.425 16.346 1.00 0.00 H new ATOM 0 HA SER A 37 -4.611 16.124 14.067 1.00 0.00 H new ATOM 0 HB2 SER A 37 -3.059 17.264 15.524 1.00 0.00 H new ATOM 0 HB3 SER A 37 -3.484 16.251 16.890 1.00 0.00 H new ATOM 0 HG SER A 37 -1.501 15.586 15.888 1.00 0.00 H new ATOM 546 N TYR A 38 -5.591 14.056 16.416 1.00 0.00 N ATOM 547 CA TYR A 38 -5.921 12.663 16.698 1.00 0.00 C ATOM 548 C TYR A 38 -6.882 12.109 15.652 1.00 0.00 C ATOM 549 O TYR A 38 -6.688 11.009 15.137 1.00 0.00 O ATOM 550 CB TYR A 38 -6.537 12.535 18.092 1.00 0.00 C ATOM 551 CG TYR A 38 -7.673 11.540 18.163 1.00 0.00 C ATOM 552 CD1 TYR A 38 -7.440 10.179 18.011 1.00 0.00 C ATOM 553 CD2 TYR A 38 -8.979 11.961 18.380 1.00 0.00 C ATOM 554 CE1 TYR A 38 -8.475 9.266 18.074 1.00 0.00 C ATOM 555 CE2 TYR A 38 -10.020 11.055 18.447 1.00 0.00 C ATOM 556 CZ TYR A 38 -9.763 9.708 18.293 1.00 0.00 C ATOM 557 OH TYR A 38 -10.797 8.803 18.357 1.00 0.00 O ATOM 0 H TYR A 38 -5.876 14.713 17.143 1.00 0.00 H new ATOM 0 HA TYR A 38 -4.999 12.083 16.661 1.00 0.00 H new ATOM 0 HB2 TYR A 38 -5.761 12.238 18.797 1.00 0.00 H new ATOM 0 HB3 TYR A 38 -6.900 13.512 18.411 1.00 0.00 H new ATOM 0 HD1 TYR A 38 -6.433 9.829 17.841 1.00 0.00 H new ATOM 0 HD2 TYR A 38 -9.184 13.015 18.498 1.00 0.00 H new ATOM 0 HE1 TYR A 38 -8.276 8.211 17.952 1.00 0.00 H new ATOM 0 HE2 TYR A 38 -11.029 11.399 18.619 1.00 0.00 H new ATOM 0 HH TYR A 38 -11.651 9.276 18.276 1.00 0.00 H new ATOM 567 N GLN A 39 -7.920 12.881 15.343 1.00 0.00 N ATOM 568 CA GLN A 39 -8.912 12.468 14.358 1.00 0.00 C ATOM 569 C GLN A 39 -8.378 12.641 12.940 1.00 0.00 C ATOM 570 O GLN A 39 -8.844 11.989 12.006 1.00 0.00 O ATOM 571 CB GLN A 39 -10.200 13.274 14.532 1.00 0.00 C ATOM 572 CG GLN A 39 -11.237 12.584 15.404 1.00 0.00 C ATOM 573 CD GLN A 39 -12.381 12.000 14.598 1.00 0.00 C ATOM 574 OE1 GLN A 39 -13.052 12.709 13.847 1.00 0.00 O ATOM 575 NE2 GLN A 39 -12.610 10.701 14.750 1.00 0.00 N ATOM 0 H GLN A 39 -8.095 13.795 15.761 1.00 0.00 H new ATOM 0 HA GLN A 39 -9.128 11.412 14.518 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -9.956 14.242 14.969 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -10.633 13.467 13.551 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -10.756 11.789 15.974 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -11.633 13.299 16.125 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -12.029 10.151 15.383 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -13.367 10.253 14.234 1.00 0.00 H new ATOM 584 N VAL A 40 -7.396 13.524 12.787 1.00 0.00 N ATOM 585 CA VAL A 40 -6.797 13.783 11.483 1.00 0.00 C ATOM 586 C VAL A 40 -5.799 12.692 11.111 1.00 0.00 C ATOM 587 O VAL A 40 -5.571 12.422 9.932 1.00 0.00 O ATOM 588 CB VAL A 40 -6.084 15.147 11.454 1.00 0.00 C ATOM 589 CG1 VAL A 40 -5.418 15.373 10.105 1.00 0.00 C ATOM 590 CG2 VAL A 40 -7.064 16.267 11.768 1.00 0.00 C ATOM 0 H VAL A 40 -6.998 14.072 13.550 1.00 0.00 H new ATOM 0 HA VAL A 40 -7.610 13.791 10.757 1.00 0.00 H new ATOM 0 HB VAL A 40 -5.308 15.148 12.220 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -4.919 16.342 10.103 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -4.685 14.587 9.925 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -6.173 15.352 9.319 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -6.543 17.224 11.743 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -7.863 16.270 11.027 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -7.489 16.111 12.759 1.00 0.00 H new ATOM 600 N GLU A 41 -5.208 12.067 12.125 1.00 0.00 N ATOM 601 CA GLU A 41 -4.234 11.005 11.903 1.00 0.00 C ATOM 602 C GLU A 41 -4.919 9.643 11.835 1.00 0.00 C ATOM 603 O GLU A 41 -4.407 8.707 11.221 1.00 0.00 O ATOM 604 CB GLU A 41 -3.184 11.005 13.016 1.00 0.00 C ATOM 605 CG GLU A 41 -2.086 9.974 12.817 1.00 0.00 C ATOM 606 CD GLU A 41 -1.517 9.993 11.412 1.00 0.00 C ATOM 607 OE1 GLU A 41 -1.317 11.099 10.868 1.00 0.00 O ATOM 608 OE2 GLU A 41 -1.271 8.902 10.856 1.00 0.00 O ATOM 0 H GLU A 41 -5.387 12.278 13.107 1.00 0.00 H new ATOM 0 HA GLU A 41 -3.742 11.193 10.949 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -2.734 11.996 13.079 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -3.678 10.818 13.970 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -1.285 10.159 13.532 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -2.482 8.981 13.032 1.00 0.00 H new ATOM 615 N LYS A 42 -6.081 9.540 12.471 1.00 0.00 N ATOM 616 CA LYS A 42 -6.839 8.295 12.483 1.00 0.00 C ATOM 617 C LYS A 42 -7.446 8.013 11.112 1.00 0.00 C ATOM 618 O LYS A 42 -7.308 6.915 10.576 1.00 0.00 O ATOM 619 CB LYS A 42 -7.945 8.357 13.539 1.00 0.00 C ATOM 620 CG LYS A 42 -7.904 7.208 14.532 1.00 0.00 C ATOM 621 CD LYS A 42 -6.742 7.349 15.500 1.00 0.00 C ATOM 622 CE LYS A 42 -6.304 5.999 16.047 1.00 0.00 C ATOM 623 NZ LYS A 42 -4.822 5.894 16.145 1.00 0.00 N ATOM 0 H LYS A 42 -6.518 10.305 12.985 1.00 0.00 H new ATOM 0 HA LYS A 42 -6.153 7.485 12.731 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -7.865 9.299 14.082 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -8.913 8.359 13.039 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -8.840 7.174 15.089 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -7.818 6.264 13.994 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -5.903 7.828 14.995 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -7.031 8.000 16.325 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -6.745 5.846 17.032 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -6.682 5.206 15.402 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -4.564 4.960 16.522 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -4.402 6.014 15.201 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -4.463 6.635 16.781 1.00 0.00 H new ATOM 637 N ASN A 43 -8.117 9.014 10.551 1.00 0.00 N ATOM 638 CA ASN A 43 -8.744 8.873 9.241 1.00 0.00 C ATOM 639 C ASN A 43 -7.724 9.074 8.125 1.00 0.00 C ATOM 640 O ASN A 43 -8.055 8.985 6.943 1.00 0.00 O ATOM 641 CB ASN A 43 -9.887 9.880 9.090 1.00 0.00 C ATOM 642 CG ASN A 43 -11.152 9.428 9.794 1.00 0.00 C ATOM 643 OD1 ASN A 43 -12.008 8.775 9.198 1.00 0.00 O ATOM 644 ND2 ASN A 43 -11.275 9.777 11.070 1.00 0.00 N ATOM 0 H ASN A 43 -8.241 9.930 10.982 1.00 0.00 H new ATOM 0 HA ASN A 43 -9.145 7.862 9.164 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -9.575 10.843 9.493 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -10.098 10.031 8.031 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -12.105 9.503 11.596 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -10.540 10.319 11.524 1.00 0.00 H new ATOM 651 N LYS A 44 -6.481 9.344 8.509 1.00 0.00 N ATOM 652 CA LYS A 44 -5.410 9.555 7.542 1.00 0.00 C ATOM 653 C LYS A 44 -5.688 10.783 6.682 1.00 0.00 C ATOM 654 O LYS A 44 -5.141 10.923 5.587 1.00 0.00 O ATOM 655 CB LYS A 44 -5.248 8.321 6.652 1.00 0.00 C ATOM 656 CG LYS A 44 -3.964 7.551 6.907 1.00 0.00 C ATOM 657 CD LYS A 44 -4.161 6.057 6.707 1.00 0.00 C ATOM 658 CE LYS A 44 -3.313 5.532 5.559 1.00 0.00 C ATOM 659 NZ LYS A 44 -3.043 4.074 5.690 1.00 0.00 N ATOM 0 H LYS A 44 -6.190 9.422 9.484 1.00 0.00 H new ATOM 0 HA LYS A 44 -4.484 9.721 8.093 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -6.098 7.656 6.809 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -5.274 8.631 5.607 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -3.184 7.909 6.235 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -3.621 7.741 7.924 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -3.901 5.529 7.624 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -5.213 5.851 6.508 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -3.822 5.723 4.614 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -2.368 6.075 5.528 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -2.462 3.755 4.888 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -2.535 3.894 6.579 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -3.943 3.553 5.694 1.00 0.00 H new ATOM 673 N TYR A 45 -6.540 11.670 7.183 1.00 0.00 N ATOM 674 CA TYR A 45 -6.891 12.886 6.459 1.00 0.00 C ATOM 675 C TYR A 45 -5.641 13.671 6.074 1.00 0.00 C ATOM 676 O TYR A 45 -4.744 13.873 6.892 1.00 0.00 O ATOM 677 CB TYR A 45 -7.815 13.762 7.309 1.00 0.00 C ATOM 678 CG TYR A 45 -8.547 14.819 6.514 1.00 0.00 C ATOM 679 CD1 TYR A 45 -9.395 14.468 5.471 1.00 0.00 C ATOM 680 CD2 TYR A 45 -8.389 16.168 6.804 1.00 0.00 C ATOM 681 CE1 TYR A 45 -10.066 15.431 4.741 1.00 0.00 C ATOM 682 CE2 TYR A 45 -9.057 17.138 6.081 1.00 0.00 C ATOM 683 CZ TYR A 45 -9.894 16.764 5.050 1.00 0.00 C ATOM 684 OH TYR A 45 -10.560 17.727 4.326 1.00 0.00 O ATOM 0 H TYR A 45 -7.000 11.570 8.088 1.00 0.00 H new ATOM 0 HA TYR A 45 -7.412 12.597 5.546 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -8.545 13.126 7.810 1.00 0.00 H new ATOM 0 HB3 TYR A 45 -7.227 14.247 8.088 1.00 0.00 H new ATOM 0 HD1 TYR A 45 -9.532 13.425 5.226 1.00 0.00 H new ATOM 0 HD2 TYR A 45 -7.732 16.464 7.609 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -10.721 15.141 3.933 1.00 0.00 H new ATOM 0 HE2 TYR A 45 -8.925 18.183 6.322 1.00 0.00 H new ATOM 0 HH TYR A 45 -10.700 17.409 3.410 1.00 0.00 H new ATOM 694 N ASP A 46 -5.590 14.111 4.821 1.00 0.00 N ATOM 695 CA ASP A 46 -4.452 14.876 4.325 1.00 0.00 C ATOM 696 C ASP A 46 -4.148 16.056 5.243 1.00 0.00 C ATOM 697 O ASP A 46 -2.998 16.471 5.377 1.00 0.00 O ATOM 698 CB ASP A 46 -4.725 15.375 2.906 1.00 0.00 C ATOM 699 CG ASP A 46 -3.610 15.019 1.942 1.00 0.00 C ATOM 700 OD1 ASP A 46 -2.444 14.953 2.383 1.00 0.00 O ATOM 701 OD2 ASP A 46 -3.904 14.806 0.747 1.00 0.00 O ATOM 0 H ASP A 46 -6.324 13.951 4.131 1.00 0.00 H new ATOM 0 HA ASP A 46 -3.583 14.218 4.309 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -5.661 14.947 2.548 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -4.855 16.457 2.923 1.00 0.00 H new ATOM 706 N ALA A 47 -5.189 16.592 5.872 1.00 0.00 N ATOM 707 CA ALA A 47 -5.033 17.724 6.778 1.00 0.00 C ATOM 708 C ALA A 47 -4.525 18.955 6.037 1.00 0.00 C ATOM 709 O ALA A 47 -3.903 19.836 6.630 1.00 0.00 O ATOM 710 CB ALA A 47 -4.089 17.363 7.916 1.00 0.00 C ATOM 0 H ALA A 47 -6.149 16.261 5.771 1.00 0.00 H new ATOM 0 HA ALA A 47 -6.012 17.962 7.194 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -3.982 18.217 8.585 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -4.495 16.517 8.471 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -3.114 17.096 7.509 1.00 0.00 H new ATOM 716 N SER A 48 -4.794 19.010 4.736 1.00 0.00 N ATOM 717 CA SER A 48 -4.360 20.132 3.912 1.00 0.00 C ATOM 718 C SER A 48 -5.540 21.027 3.548 1.00 0.00 C ATOM 719 O SER A 48 -5.525 21.706 2.522 1.00 0.00 O ATOM 720 CB SER A 48 -3.679 19.624 2.640 1.00 0.00 C ATOM 721 OG SER A 48 -3.123 20.695 1.896 1.00 0.00 O ATOM 0 H SER A 48 -5.310 18.290 4.230 1.00 0.00 H new ATOM 0 HA SER A 48 -3.645 20.719 4.489 1.00 0.00 H new ATOM 0 HB2 SER A 48 -2.895 18.914 2.902 1.00 0.00 H new ATOM 0 HB3 SER A 48 -4.402 19.088 2.026 1.00 0.00 H new ATOM 0 HG SER A 48 -3.810 21.376 1.740 1.00 0.00 H new ATOM 727 N ALA A 49 -6.562 21.022 4.397 1.00 0.00 N ATOM 728 CA ALA A 49 -7.751 21.835 4.167 1.00 0.00 C ATOM 729 C ALA A 49 -8.177 22.557 5.441 1.00 0.00 C ATOM 730 O ALA A 49 -8.565 23.725 5.403 1.00 0.00 O ATOM 731 CB ALA A 49 -8.888 20.970 3.643 1.00 0.00 C ATOM 0 H ALA A 49 -6.591 20.464 5.250 1.00 0.00 H new ATOM 0 HA ALA A 49 -7.507 22.588 3.418 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -9.769 21.589 3.476 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -8.588 20.505 2.704 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -9.122 20.196 4.373 1.00 0.00 H new ATOM 737 N ILE A 50 -8.102 21.855 6.567 1.00 0.00 N ATOM 738 CA ILE A 50 -8.479 22.431 7.852 1.00 0.00 C ATOM 739 C ILE A 50 -7.719 23.726 8.119 1.00 0.00 C ATOM 740 O ILE A 50 -6.544 23.850 7.773 1.00 0.00 O ATOM 741 CB ILE A 50 -8.218 21.448 9.008 1.00 0.00 C ATOM 742 CG1 ILE A 50 -8.977 20.140 8.776 1.00 0.00 C ATOM 743 CG2 ILE A 50 -8.620 22.072 10.335 1.00 0.00 C ATOM 744 CD1 ILE A 50 -8.626 19.053 9.768 1.00 0.00 C ATOM 0 H ILE A 50 -7.784 20.887 6.615 1.00 0.00 H new ATOM 0 HA ILE A 50 -9.547 22.644 7.801 1.00 0.00 H new ATOM 0 HB ILE A 50 -7.151 21.226 9.042 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -10.048 20.337 8.829 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -8.768 19.782 7.768 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -8.429 21.365 11.142 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -8.038 22.979 10.502 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -9.681 22.321 10.314 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -9.202 18.155 9.543 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -7.562 18.828 9.700 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -8.862 19.391 10.777 1.00 0.00 H new ATOM 756 N ASP A 51 -8.397 24.686 8.737 1.00 0.00 N ATOM 757 CA ASP A 51 -7.785 25.972 9.054 1.00 0.00 C ATOM 758 C ASP A 51 -7.563 26.112 10.556 1.00 0.00 C ATOM 759 O ASP A 51 -8.387 26.692 11.265 1.00 0.00 O ATOM 760 CB ASP A 51 -8.663 27.117 8.546 1.00 0.00 C ATOM 761 CG ASP A 51 -8.224 27.623 7.186 1.00 0.00 C ATOM 762 OD1 ASP A 51 -7.156 28.267 7.108 1.00 0.00 O ATOM 763 OD2 ASP A 51 -8.948 27.375 6.199 1.00 0.00 O ATOM 0 H ASP A 51 -9.371 24.599 9.029 1.00 0.00 H new ATOM 0 HA ASP A 51 -6.816 26.019 8.556 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -9.698 26.780 8.488 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -8.635 27.938 9.262 1.00 0.00 H new ATOM 768 N PHE A 52 -6.446 25.577 11.037 1.00 0.00 N ATOM 769 CA PHE A 52 -6.116 25.641 12.456 1.00 0.00 C ATOM 770 C PHE A 52 -6.142 27.082 12.956 1.00 0.00 C ATOM 771 O PHE A 52 -6.501 27.346 14.104 1.00 0.00 O ATOM 772 CB PHE A 52 -4.738 25.026 12.709 1.00 0.00 C ATOM 773 CG PHE A 52 -4.621 23.603 12.241 1.00 0.00 C ATOM 774 CD1 PHE A 52 -5.093 22.562 13.023 1.00 0.00 C ATOM 775 CD2 PHE A 52 -4.039 23.308 11.019 1.00 0.00 C ATOM 776 CE1 PHE A 52 -4.987 21.252 12.595 1.00 0.00 C ATOM 777 CE2 PHE A 52 -3.931 22.000 10.585 1.00 0.00 C ATOM 778 CZ PHE A 52 -4.404 20.971 11.375 1.00 0.00 C ATOM 0 H PHE A 52 -5.754 25.094 10.465 1.00 0.00 H new ATOM 0 HA PHE A 52 -6.867 25.071 13.004 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -3.982 25.629 12.206 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -4.521 25.068 13.776 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -5.549 22.776 13.978 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -3.665 24.109 10.398 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -5.360 20.449 13.214 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -3.477 21.783 9.629 1.00 0.00 H new ATOM 0 HZ PHE A 52 -4.318 19.948 11.039 1.00 0.00 H new ATOM 788 N SER A 53 -5.759 28.011 12.086 1.00 0.00 N ATOM 789 CA SER A 53 -5.733 29.425 12.440 1.00 0.00 C ATOM 790 C SER A 53 -7.117 29.902 12.871 1.00 0.00 C ATOM 791 O SER A 53 -7.245 30.832 13.668 1.00 0.00 O ATOM 792 CB SER A 53 -5.240 30.260 11.256 1.00 0.00 C ATOM 793 OG SER A 53 -3.824 30.317 11.228 1.00 0.00 O ATOM 0 H SER A 53 -5.462 27.810 11.131 1.00 0.00 H new ATOM 0 HA SER A 53 -5.046 29.552 13.277 1.00 0.00 H new ATOM 0 HB2 SER A 53 -5.608 29.830 10.325 1.00 0.00 H new ATOM 0 HB3 SER A 53 -5.647 31.269 11.324 1.00 0.00 H new ATOM 0 HG SER A 53 -3.533 30.854 10.462 1.00 0.00 H new ATOM 799 N ARG A 54 -8.150 29.258 12.339 1.00 0.00 N ATOM 800 CA ARG A 54 -9.525 29.616 12.667 1.00 0.00 C ATOM 801 C ARG A 54 -9.982 28.911 13.941 1.00 0.00 C ATOM 802 O ARG A 54 -10.864 29.397 14.649 1.00 0.00 O ATOM 803 CB ARG A 54 -10.458 29.256 11.509 1.00 0.00 C ATOM 804 CG ARG A 54 -10.602 30.362 10.476 1.00 0.00 C ATOM 805 CD ARG A 54 -11.947 31.063 10.594 1.00 0.00 C ATOM 806 NE ARG A 54 -11.930 32.386 9.978 1.00 0.00 N ATOM 807 CZ ARG A 54 -11.300 33.433 10.500 1.00 0.00 C ATOM 808 NH1 ARG A 54 -10.638 33.309 11.642 1.00 0.00 N ATOM 809 NH2 ARG A 54 -11.331 34.605 9.880 1.00 0.00 N ATOM 0 H ARG A 54 -8.061 28.485 11.679 1.00 0.00 H new ATOM 0 HA ARG A 54 -9.563 30.692 12.835 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -10.083 28.358 11.018 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -11.443 29.013 11.909 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -9.799 31.088 10.605 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -10.495 29.943 9.475 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -12.717 30.453 10.121 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -12.216 31.156 11.646 1.00 0.00 H new ATOM 0 HE ARG A 54 -12.429 32.514 9.098 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -10.612 32.409 12.121 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -10.155 34.114 12.041 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -11.839 34.704 9.001 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -10.847 35.408 10.282 1.00 0.00 H new ATOM 823 N CYS A 55 -9.375 27.764 14.225 1.00 0.00 N ATOM 824 CA CYS A 55 -9.720 26.991 15.413 1.00 0.00 C ATOM 825 C CYS A 55 -9.258 27.705 16.679 1.00 0.00 C ATOM 826 O CYS A 55 -8.176 27.431 17.199 1.00 0.00 O ATOM 827 CB CYS A 55 -9.093 25.598 15.340 1.00 0.00 C ATOM 828 SG CYS A 55 -9.400 24.573 16.798 1.00 0.00 S ATOM 0 H CYS A 55 -8.642 27.349 13.650 1.00 0.00 H new ATOM 0 HA CYS A 55 -10.805 26.891 15.450 1.00 0.00 H new ATOM 0 HB2 CYS A 55 -9.478 25.084 14.460 1.00 0.00 H new ATOM 0 HB3 CYS A 55 -8.017 25.702 15.203 1.00 0.00 H new ATOM 0 HG CYS A 55 -9.040 25.220 17.867 1.00 0.00 H new ATOM 834 N ASP A 56 -10.084 28.622 17.169 1.00 0.00 N ATOM 835 CA ASP A 56 -9.761 29.377 18.375 1.00 0.00 C ATOM 836 C ASP A 56 -10.671 28.973 19.530 1.00 0.00 C ATOM 837 O ASP A 56 -10.668 29.605 20.586 1.00 0.00 O ATOM 838 CB ASP A 56 -9.886 30.878 18.111 1.00 0.00 C ATOM 839 CG ASP A 56 -8.794 31.399 17.197 1.00 0.00 C ATOM 840 OD1 ASP A 56 -7.660 31.595 17.681 1.00 0.00 O ATOM 841 OD2 ASP A 56 -9.073 31.610 15.999 1.00 0.00 O ATOM 0 H ASP A 56 -10.983 28.861 16.750 1.00 0.00 H new ATOM 0 HA ASP A 56 -8.732 29.149 18.652 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -10.859 31.086 17.665 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -9.849 31.415 19.059 1.00 0.00 H new ATOM 846 N MET A 57 -11.450 27.916 19.321 1.00 0.00 N ATOM 847 CA MET A 57 -12.366 27.428 20.345 1.00 0.00 C ATOM 848 C MET A 57 -11.601 26.791 21.500 1.00 0.00 C ATOM 849 O MET A 57 -10.792 25.885 21.296 1.00 0.00 O ATOM 850 CB MET A 57 -13.344 26.416 19.745 1.00 0.00 C ATOM 851 CG MET A 57 -13.937 26.857 18.417 1.00 0.00 C ATOM 852 SD MET A 57 -13.225 25.978 17.012 1.00 0.00 S ATOM 853 CE MET A 57 -14.707 25.439 16.164 1.00 0.00 C ATOM 0 H MET A 57 -11.465 27.382 18.452 1.00 0.00 H new ATOM 0 HA MET A 57 -12.927 28.279 20.730 1.00 0.00 H new ATOM 0 HB2 MET A 57 -12.830 25.465 19.606 1.00 0.00 H new ATOM 0 HB3 MET A 57 -14.153 26.240 20.454 1.00 0.00 H new ATOM 0 HG2 MET A 57 -15.015 26.695 18.433 1.00 0.00 H new ATOM 0 HG3 MET A 57 -13.777 27.928 18.290 1.00 0.00 H new ATOM 0 HE1 MET A 57 -14.433 24.941 15.234 1.00 0.00 H new ATOM 0 HE2 MET A 57 -15.257 24.745 16.799 1.00 0.00 H new ATOM 0 HE3 MET A 57 -15.334 26.303 15.942 1.00 0.00 H new ATOM 863 N ASP A 58 -11.860 27.269 22.712 1.00 0.00 N ATOM 864 CA ASP A 58 -11.196 26.745 23.900 1.00 0.00 C ATOM 865 C ASP A 58 -11.746 25.371 24.268 1.00 0.00 C ATOM 866 O ASP A 58 -10.990 24.421 24.466 1.00 0.00 O ATOM 867 CB ASP A 58 -11.369 27.710 25.074 1.00 0.00 C ATOM 868 CG ASP A 58 -12.817 28.102 25.293 1.00 0.00 C ATOM 869 OD1 ASP A 58 -13.364 28.846 24.452 1.00 0.00 O ATOM 870 OD2 ASP A 58 -13.403 27.664 26.304 1.00 0.00 O ATOM 0 H ASP A 58 -12.526 28.019 22.898 1.00 0.00 H new ATOM 0 HA ASP A 58 -10.134 26.643 23.678 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -10.980 27.248 25.981 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -10.776 28.607 24.894 1.00 0.00 H new ATOM 875 N GLY A 59 -13.069 25.274 24.360 1.00 0.00 N ATOM 876 CA GLY A 59 -13.698 24.013 24.706 1.00 0.00 C ATOM 877 C GLY A 59 -15.211 24.089 24.667 1.00 0.00 C ATOM 878 O GLY A 59 -15.858 23.349 23.926 1.00 0.00 O ATOM 0 H GLY A 59 -13.716 26.046 24.201 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -13.358 23.240 24.017 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -13.378 23.713 25.704 1.00 0.00 H new ATOM 882 N ALA A 60 -15.778 24.986 25.467 1.00 0.00 N ATOM 883 CA ALA A 60 -17.224 25.157 25.521 1.00 0.00 C ATOM 884 C ALA A 60 -17.770 25.639 24.181 1.00 0.00 C ATOM 885 O ALA A 60 -18.915 25.357 23.827 1.00 0.00 O ATOM 886 CB ALA A 60 -17.600 26.130 26.628 1.00 0.00 C ATOM 0 H ALA A 60 -15.257 25.606 26.087 1.00 0.00 H new ATOM 0 HA ALA A 60 -17.672 24.187 25.738 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -18.683 26.248 26.656 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -17.252 25.744 27.586 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -17.135 27.097 26.436 1.00 0.00 H new ATOM 892 N THR A 61 -16.943 26.370 23.439 1.00 0.00 N ATOM 893 CA THR A 61 -17.344 26.894 22.139 1.00 0.00 C ATOM 894 C THR A 61 -17.346 25.796 21.082 1.00 0.00 C ATOM 895 O THR A 61 -18.132 25.834 20.135 1.00 0.00 O ATOM 896 CB THR A 61 -16.412 28.032 21.681 1.00 0.00 C ATOM 897 OG1 THR A 61 -16.372 29.062 22.674 1.00 0.00 O ATOM 898 CG2 THR A 61 -16.881 28.614 20.356 1.00 0.00 C ATOM 0 H THR A 61 -15.992 26.612 23.716 1.00 0.00 H new ATOM 0 HA THR A 61 -18.355 27.286 22.253 1.00 0.00 H new ATOM 0 HB THR A 61 -15.412 27.621 21.545 1.00 0.00 H new ATOM 0 HG1 THR A 61 -15.776 29.781 22.376 1.00 0.00 H new ATOM 0 HG21 THR A 61 -16.208 29.416 20.052 1.00 0.00 H new ATOM 0 HG22 THR A 61 -16.882 27.833 19.596 1.00 0.00 H new ATOM 0 HG23 THR A 61 -17.890 29.011 20.470 1.00 0.00 H new ATOM 906 N LEU A 62 -16.461 24.819 21.248 1.00 0.00 N ATOM 907 CA LEU A 62 -16.361 23.709 20.307 1.00 0.00 C ATOM 908 C LEU A 62 -17.649 22.892 20.290 1.00 0.00 C ATOM 909 O LEU A 62 -18.238 22.664 19.232 1.00 0.00 O ATOM 910 CB LEU A 62 -15.178 22.810 20.672 1.00 0.00 C ATOM 911 CG LEU A 62 -14.894 21.653 19.713 1.00 0.00 C ATOM 912 CD1 LEU A 62 -14.377 22.177 18.383 1.00 0.00 C ATOM 913 CD2 LEU A 62 -13.898 20.682 20.330 1.00 0.00 C ATOM 0 H LEU A 62 -15.802 24.773 22.026 1.00 0.00 H new ATOM 0 HA LEU A 62 -16.201 24.122 19.311 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -14.283 23.429 20.738 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -15.354 22.397 21.666 1.00 0.00 H new ATOM 0 HG LEU A 62 -15.827 21.119 19.531 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -14.180 21.340 17.714 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -15.124 22.832 17.935 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -13.455 22.736 18.546 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -13.707 19.865 19.634 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -12.965 21.204 20.541 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -14.308 20.281 21.257 1.00 0.00 H new ATOM 925 N CYS A 63 -18.082 22.456 21.467 1.00 0.00 N ATOM 926 CA CYS A 63 -19.302 21.665 21.588 1.00 0.00 C ATOM 927 C CYS A 63 -20.533 22.515 21.291 1.00 0.00 C ATOM 928 O CYS A 63 -21.547 22.010 20.812 1.00 0.00 O ATOM 929 CB CYS A 63 -19.408 21.065 22.991 1.00 0.00 C ATOM 930 SG CYS A 63 -19.489 19.258 23.016 1.00 0.00 S ATOM 0 H CYS A 63 -17.607 22.636 22.351 1.00 0.00 H new ATOM 0 HA CYS A 63 -19.256 20.857 20.858 1.00 0.00 H new ATOM 0 HB2 CYS A 63 -18.549 21.388 23.579 1.00 0.00 H new ATOM 0 HB3 CYS A 63 -20.297 21.465 23.480 1.00 0.00 H new ATOM 0 HG CYS A 63 -19.575 18.844 24.245 1.00 0.00 H new ATOM 936 N ASN A 64 -20.436 23.809 21.580 1.00 0.00 N ATOM 937 CA ASN A 64 -21.543 24.729 21.346 1.00 0.00 C ATOM 938 C ASN A 64 -21.669 25.062 19.863 1.00 0.00 C ATOM 939 O ASN A 64 -22.753 25.390 19.380 1.00 0.00 O ATOM 940 CB ASN A 64 -21.345 26.014 22.154 1.00 0.00 C ATOM 941 CG ASN A 64 -21.676 25.830 23.623 1.00 0.00 C ATOM 942 OD1 ASN A 64 -22.080 24.748 24.049 1.00 0.00 O ATOM 943 ND2 ASN A 64 -21.505 26.890 24.404 1.00 0.00 N ATOM 0 H ASN A 64 -19.603 24.244 21.976 1.00 0.00 H new ATOM 0 HA ASN A 64 -22.463 24.242 21.670 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -20.311 26.346 22.056 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -21.974 26.802 21.739 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -21.711 26.827 25.401 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -21.168 27.767 24.007 1.00 0.00 H new ATOM 950 N CYS A 65 -20.554 24.976 19.146 1.00 0.00 N ATOM 951 CA CYS A 65 -20.539 25.268 17.717 1.00 0.00 C ATOM 952 C CYS A 65 -21.573 24.425 16.979 1.00 0.00 C ATOM 953 O CYS A 65 -22.075 23.434 17.510 1.00 0.00 O ATOM 954 CB CYS A 65 -19.147 25.012 17.138 1.00 0.00 C ATOM 955 SG CYS A 65 -18.307 26.501 16.549 1.00 0.00 S ATOM 0 H CYS A 65 -19.649 24.706 19.531 1.00 0.00 H new ATOM 0 HA CYS A 65 -20.792 26.320 17.583 1.00 0.00 H new ATOM 0 HB2 CYS A 65 -18.530 24.537 17.901 1.00 0.00 H new ATOM 0 HB3 CYS A 65 -19.233 24.306 16.312 1.00 0.00 H new ATOM 0 HG CYS A 65 -19.181 27.323 16.047 1.00 0.00 H new ATOM 961 N ALA A 66 -21.889 24.826 15.752 1.00 0.00 N ATOM 962 CA ALA A 66 -22.864 24.107 14.941 1.00 0.00 C ATOM 963 C ALA A 66 -22.178 23.111 14.012 1.00 0.00 C ATOM 964 O ALA A 66 -20.996 23.255 13.695 1.00 0.00 O ATOM 965 CB ALA A 66 -23.707 25.087 14.137 1.00 0.00 C ATOM 0 H ALA A 66 -21.484 25.645 15.298 1.00 0.00 H new ATOM 0 HA ALA A 66 -23.516 23.548 15.612 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -24.431 24.537 13.536 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -24.234 25.756 14.817 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -23.060 25.671 13.482 1.00 0.00 H new ATOM 971 N LEU A 67 -22.924 22.101 13.579 1.00 0.00 N ATOM 972 CA LEU A 67 -22.387 21.080 12.687 1.00 0.00 C ATOM 973 C LEU A 67 -21.720 21.716 11.471 1.00 0.00 C ATOM 974 O LEU A 67 -20.524 21.539 11.245 1.00 0.00 O ATOM 975 CB LEU A 67 -23.500 20.133 12.235 1.00 0.00 C ATOM 976 CG LEU A 67 -23.187 19.263 11.017 1.00 0.00 C ATOM 977 CD1 LEU A 67 -21.877 18.516 11.217 1.00 0.00 C ATOM 978 CD2 LEU A 67 -24.324 18.286 10.754 1.00 0.00 C ATOM 0 H LEU A 67 -23.903 21.967 13.831 1.00 0.00 H new ATOM 0 HA LEU A 67 -21.636 20.512 13.235 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -23.754 19.478 13.069 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -24.387 20.726 12.014 1.00 0.00 H new ATOM 0 HG LEU A 67 -23.083 19.912 10.148 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -21.671 17.902 10.340 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -21.067 19.232 11.357 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -21.953 17.878 12.097 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -24.085 17.675 9.884 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -24.459 17.642 11.623 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -25.244 18.840 10.566 1.00 0.00 H new ATOM 990 N GLU A 68 -22.502 22.458 10.694 1.00 0.00 N ATOM 991 CA GLU A 68 -21.986 23.121 9.502 1.00 0.00 C ATOM 992 C GLU A 68 -20.742 23.942 9.832 1.00 0.00 C ATOM 993 O GLU A 68 -19.802 24.006 9.041 1.00 0.00 O ATOM 994 CB GLU A 68 -23.058 24.024 8.889 1.00 0.00 C ATOM 995 CG GLU A 68 -23.779 24.892 9.907 1.00 0.00 C ATOM 996 CD GLU A 68 -24.575 26.009 9.262 1.00 0.00 C ATOM 997 OE1 GLU A 68 -24.334 26.300 8.072 1.00 0.00 O ATOM 998 OE2 GLU A 68 -25.440 26.593 9.948 1.00 0.00 O ATOM 0 H GLU A 68 -23.495 22.615 10.868 1.00 0.00 H new ATOM 0 HA GLU A 68 -21.712 22.352 8.779 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -22.595 24.666 8.140 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -23.789 23.404 8.370 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -24.449 24.269 10.500 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -23.050 25.321 10.595 1.00 0.00 H new ATOM 1005 N GLU A 69 -20.747 24.567 11.005 1.00 0.00 N ATOM 1006 CA GLU A 69 -19.620 25.385 11.438 1.00 0.00 C ATOM 1007 C GLU A 69 -18.331 24.569 11.458 1.00 0.00 C ATOM 1008 O GLU A 69 -17.339 24.938 10.829 1.00 0.00 O ATOM 1009 CB GLU A 69 -19.889 25.968 12.827 1.00 0.00 C ATOM 1010 CG GLU A 69 -20.108 27.472 12.824 1.00 0.00 C ATOM 1011 CD GLU A 69 -20.836 27.958 14.062 1.00 0.00 C ATOM 1012 OE1 GLU A 69 -21.966 27.488 14.310 1.00 0.00 O ATOM 1013 OE2 GLU A 69 -20.275 28.809 14.784 1.00 0.00 O ATOM 0 H GLU A 69 -21.518 24.523 11.672 1.00 0.00 H new ATOM 0 HA GLU A 69 -19.502 26.201 10.725 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -20.767 25.482 13.252 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -19.048 25.733 13.480 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -19.144 27.976 12.753 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -20.679 27.750 11.938 1.00 0.00 H new ATOM 1020 N LEU A 70 -18.353 23.457 12.185 1.00 0.00 N ATOM 1021 CA LEU A 70 -17.187 22.587 12.289 1.00 0.00 C ATOM 1022 C LEU A 70 -16.732 22.121 10.910 1.00 0.00 C ATOM 1023 O LEU A 70 -15.559 21.805 10.706 1.00 0.00 O ATOM 1024 CB LEU A 70 -17.505 21.378 13.170 1.00 0.00 C ATOM 1025 CG LEU A 70 -18.137 21.684 14.528 1.00 0.00 C ATOM 1026 CD1 LEU A 70 -18.539 20.398 15.232 1.00 0.00 C ATOM 1027 CD2 LEU A 70 -17.179 22.491 15.392 1.00 0.00 C ATOM 0 H LEU A 70 -19.166 23.137 12.711 1.00 0.00 H new ATOM 0 HA LEU A 70 -16.378 23.157 12.745 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -18.177 20.719 12.619 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -16.582 20.824 13.338 1.00 0.00 H new ATOM 0 HG LEU A 70 -19.035 22.279 14.363 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -18.987 20.636 16.197 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -19.262 19.859 14.620 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -17.657 19.776 15.385 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -17.645 22.700 16.355 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -16.263 21.922 15.548 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -16.942 23.430 14.892 1.00 0.00 H new ATOM 1039 N ARG A 71 -17.666 22.081 9.966 1.00 0.00 N ATOM 1040 CA ARG A 71 -17.361 21.654 8.606 1.00 0.00 C ATOM 1041 C ARG A 71 -16.693 22.778 7.820 1.00 0.00 C ATOM 1042 O ARG A 71 -16.006 22.534 6.827 1.00 0.00 O ATOM 1043 CB ARG A 71 -18.637 21.206 7.890 1.00 0.00 C ATOM 1044 CG ARG A 71 -19.286 19.980 8.512 1.00 0.00 C ATOM 1045 CD ARG A 71 -20.758 19.883 8.145 1.00 0.00 C ATOM 1046 NE ARG A 71 -21.177 18.501 7.926 1.00 0.00 N ATOM 1047 CZ ARG A 71 -22.288 18.163 7.281 1.00 0.00 C ATOM 1048 NH1 ARG A 71 -23.086 19.102 6.793 1.00 0.00 N ATOM 1049 NH2 ARG A 71 -22.601 16.884 7.121 1.00 0.00 N ATOM 0 H ARG A 71 -18.641 22.339 10.118 1.00 0.00 H new ATOM 0 HA ARG A 71 -16.670 20.813 8.663 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -19.353 22.027 7.894 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -18.403 20.993 6.847 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -18.766 19.082 8.177 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -19.182 20.022 9.596 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -21.360 20.323 8.940 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -20.946 20.466 7.244 1.00 0.00 H new ATOM 0 HE ARG A 71 -20.584 17.754 8.288 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -22.848 20.087 6.912 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -23.939 18.840 6.298 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -21.988 16.159 7.493 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -23.454 16.626 6.626 1.00 0.00 H new ATOM 1063 N LEU A 72 -16.898 24.011 8.270 1.00 0.00 N ATOM 1064 CA LEU A 72 -16.316 25.174 7.610 1.00 0.00 C ATOM 1065 C LEU A 72 -14.973 25.539 8.233 1.00 0.00 C ATOM 1066 O LEU A 72 -14.187 26.285 7.648 1.00 0.00 O ATOM 1067 CB LEU A 72 -17.272 26.366 7.696 1.00 0.00 C ATOM 1068 CG LEU A 72 -18.117 26.639 6.451 1.00 0.00 C ATOM 1069 CD1 LEU A 72 -19.589 26.748 6.819 1.00 0.00 C ATOM 1070 CD2 LEU A 72 -17.645 27.906 5.753 1.00 0.00 C ATOM 0 H LEU A 72 -17.463 24.231 9.090 1.00 0.00 H new ATOM 0 HA LEU A 72 -16.153 24.922 6.562 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -17.944 26.207 8.539 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -16.688 27.259 7.918 1.00 0.00 H new ATOM 0 HG LEU A 72 -17.996 25.803 5.763 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -20.175 26.942 5.921 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -19.920 25.814 7.274 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -19.728 27.565 7.527 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -18.258 28.084 4.869 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -17.736 28.752 6.434 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -16.603 27.790 5.455 1.00 0.00 H new ATOM 1082 N VAL A 73 -14.715 25.007 9.424 1.00 0.00 N ATOM 1083 CA VAL A 73 -13.465 25.274 10.126 1.00 0.00 C ATOM 1084 C VAL A 73 -12.493 24.109 9.979 1.00 0.00 C ATOM 1085 O VAL A 73 -11.276 24.293 10.014 1.00 0.00 O ATOM 1086 CB VAL A 73 -13.708 25.541 11.623 1.00 0.00 C ATOM 1087 CG1 VAL A 73 -12.391 25.787 12.342 1.00 0.00 C ATOM 1088 CG2 VAL A 73 -14.654 26.718 11.807 1.00 0.00 C ATOM 0 H VAL A 73 -15.355 24.389 9.923 1.00 0.00 H new ATOM 0 HA VAL A 73 -13.031 26.165 9.672 1.00 0.00 H new ATOM 0 HB VAL A 73 -14.174 24.658 12.061 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -12.583 25.974 13.399 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -11.751 24.911 12.239 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -11.894 26.653 11.905 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -14.815 26.893 12.871 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -14.219 27.609 11.355 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -15.608 26.497 11.328 1.00 0.00 H new ATOM 1098 N PHE A 74 -13.038 22.908 9.815 1.00 0.00 N ATOM 1099 CA PHE A 74 -12.219 21.711 9.663 1.00 0.00 C ATOM 1100 C PHE A 74 -12.518 21.011 8.341 1.00 0.00 C ATOM 1101 O PHE A 74 -12.291 19.811 8.196 1.00 0.00 O ATOM 1102 CB PHE A 74 -12.463 20.750 10.828 1.00 0.00 C ATOM 1103 CG PHE A 74 -12.565 21.436 12.160 1.00 0.00 C ATOM 1104 CD1 PHE A 74 -11.499 22.163 12.664 1.00 0.00 C ATOM 1105 CD2 PHE A 74 -13.729 21.355 12.909 1.00 0.00 C ATOM 1106 CE1 PHE A 74 -11.590 22.795 13.890 1.00 0.00 C ATOM 1107 CE2 PHE A 74 -13.826 21.985 14.135 1.00 0.00 C ATOM 1108 CZ PHE A 74 -12.756 22.707 14.626 1.00 0.00 C ATOM 0 H PHE A 74 -14.043 22.738 9.784 1.00 0.00 H new ATOM 0 HA PHE A 74 -11.172 22.015 9.664 1.00 0.00 H new ATOM 0 HB2 PHE A 74 -13.382 20.194 10.643 1.00 0.00 H new ATOM 0 HB3 PHE A 74 -11.652 20.022 10.864 1.00 0.00 H new ATOM 0 HD1 PHE A 74 -10.586 22.237 12.092 1.00 0.00 H new ATOM 0 HD2 PHE A 74 -14.570 20.793 12.530 1.00 0.00 H new ATOM 0 HE1 PHE A 74 -10.751 23.357 14.272 1.00 0.00 H new ATOM 0 HE2 PHE A 74 -14.738 21.913 14.709 1.00 0.00 H new ATOM 0 HZ PHE A 74 -12.830 23.202 15.583 1.00 0.00 H new ATOM 1118 N GLY A 75 -13.030 21.772 7.378 1.00 0.00 N ATOM 1119 CA GLY A 75 -13.353 21.208 6.080 1.00 0.00 C ATOM 1120 C GLY A 75 -14.375 20.093 6.170 1.00 0.00 C ATOM 1121 O GLY A 75 -15.230 20.076 7.056 1.00 0.00 O ATOM 0 H GLY A 75 -13.227 22.768 7.473 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -13.735 21.995 5.430 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -12.443 20.826 5.617 1.00 0.00 H new ATOM 1125 N PRO A 76 -14.295 19.135 5.235 1.00 0.00 N ATOM 1126 CA PRO A 76 -15.214 17.993 5.191 1.00 0.00 C ATOM 1127 C PRO A 76 -14.988 17.022 6.345 1.00 0.00 C ATOM 1128 O PRO A 76 -15.754 16.076 6.532 1.00 0.00 O ATOM 1129 CB PRO A 76 -14.882 17.322 3.855 1.00 0.00 C ATOM 1130 CG PRO A 76 -13.472 17.712 3.576 1.00 0.00 C ATOM 1131 CD PRO A 76 -13.302 19.091 4.149 1.00 0.00 C ATOM 0 HA PRO A 76 -16.255 18.304 5.281 1.00 0.00 H new ATOM 0 HB2 PRO A 76 -14.988 16.239 3.919 1.00 0.00 H new ATOM 0 HB3 PRO A 76 -15.551 17.662 3.064 1.00 0.00 H new ATOM 0 HG2 PRO A 76 -12.775 17.010 4.035 1.00 0.00 H new ATOM 0 HG3 PRO A 76 -13.271 17.707 2.505 1.00 0.00 H new ATOM 0 HD2 PRO A 76 -12.290 19.249 4.523 1.00 0.00 H new ATOM 0 HD3 PRO A 76 -13.489 19.862 3.402 1.00 0.00 H new ATOM 1139 N LEU A 77 -13.934 17.263 7.116 1.00 0.00 N ATOM 1140 CA LEU A 77 -13.608 16.410 8.254 1.00 0.00 C ATOM 1141 C LEU A 77 -14.555 16.671 9.420 1.00 0.00 C ATOM 1142 O LEU A 77 -14.770 15.803 10.266 1.00 0.00 O ATOM 1143 CB LEU A 77 -12.162 16.644 8.694 1.00 0.00 C ATOM 1144 CG LEU A 77 -11.648 15.743 9.818 1.00 0.00 C ATOM 1145 CD1 LEU A 77 -11.889 14.280 9.482 1.00 0.00 C ATOM 1146 CD2 LEU A 77 -10.169 15.998 10.071 1.00 0.00 C ATOM 0 H LEU A 77 -13.290 18.042 6.974 1.00 0.00 H new ATOM 0 HA LEU A 77 -13.723 15.372 7.943 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -11.514 16.515 7.827 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -12.064 17.681 9.014 1.00 0.00 H new ATOM 0 HG LEU A 77 -12.198 15.980 10.729 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -11.517 13.654 10.293 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -12.957 14.108 9.352 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -11.366 14.028 8.560 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -9.820 15.349 10.874 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -9.603 15.789 9.163 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -10.023 17.039 10.358 1.00 0.00 H new ATOM 1158 N GLY A 78 -15.123 17.873 9.457 1.00 0.00 N ATOM 1159 CA GLY A 78 -16.043 18.226 10.523 1.00 0.00 C ATOM 1160 C GLY A 78 -17.151 17.207 10.694 1.00 0.00 C ATOM 1161 O GLY A 78 -17.504 16.845 11.816 1.00 0.00 O ATOM 0 H GLY A 78 -14.963 18.608 8.768 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -15.492 18.319 11.459 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -16.481 19.202 10.313 1.00 0.00 H new ATOM 1165 N ASP A 79 -17.703 16.743 9.578 1.00 0.00 N ATOM 1166 CA ASP A 79 -18.779 15.759 9.609 1.00 0.00 C ATOM 1167 C ASP A 79 -18.394 14.560 10.469 1.00 0.00 C ATOM 1168 O ASP A 79 -19.247 13.941 11.105 1.00 0.00 O ATOM 1169 CB ASP A 79 -19.118 15.298 8.191 1.00 0.00 C ATOM 1170 CG ASP A 79 -19.993 14.059 8.178 1.00 0.00 C ATOM 1171 OD1 ASP A 79 -20.882 13.952 9.049 1.00 0.00 O ATOM 1172 OD2 ASP A 79 -19.788 13.198 7.297 1.00 0.00 O ATOM 0 H ASP A 79 -17.423 17.032 8.641 1.00 0.00 H new ATOM 0 HA ASP A 79 -19.658 16.231 10.049 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -19.627 16.104 7.662 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -18.195 15.093 7.648 1.00 0.00 H new ATOM 1177 N GLN A 80 -17.105 14.237 10.482 1.00 0.00 N ATOM 1178 CA GLN A 80 -16.608 13.110 11.262 1.00 0.00 C ATOM 1179 C GLN A 80 -16.303 13.533 12.696 1.00 0.00 C ATOM 1180 O GLN A 80 -16.502 12.764 13.637 1.00 0.00 O ATOM 1181 CB GLN A 80 -15.352 12.526 10.612 1.00 0.00 C ATOM 1182 CG GLN A 80 -15.607 11.900 9.250 1.00 0.00 C ATOM 1183 CD GLN A 80 -15.360 12.866 8.108 1.00 0.00 C ATOM 1184 OE1 GLN A 80 -14.214 13.144 7.752 1.00 0.00 O ATOM 1185 NE2 GLN A 80 -16.435 13.384 7.527 1.00 0.00 N ATOM 0 H GLN A 80 -16.386 14.740 9.961 1.00 0.00 H new ATOM 0 HA GLN A 80 -17.385 12.346 11.285 1.00 0.00 H new ATOM 0 HB2 GLN A 80 -14.607 13.315 10.506 1.00 0.00 H new ATOM 0 HB3 GLN A 80 -14.927 11.773 11.275 1.00 0.00 H new ATOM 0 HG2 GLN A 80 -14.964 11.028 9.129 1.00 0.00 H new ATOM 0 HG3 GLN A 80 -16.637 11.545 9.204 1.00 0.00 H new ATOM 0 HE21 GLN A 80 -17.366 13.126 7.854 1.00 0.00 H new ATOM 0 HE22 GLN A 80 -16.330 14.040 6.753 1.00 0.00 H new ATOM 1194 N LEU A 81 -15.817 14.759 12.855 1.00 0.00 N ATOM 1195 CA LEU A 81 -15.484 15.285 14.174 1.00 0.00 C ATOM 1196 C LEU A 81 -16.740 15.471 15.019 1.00 0.00 C ATOM 1197 O LEU A 81 -16.727 15.241 16.229 1.00 0.00 O ATOM 1198 CB LEU A 81 -14.743 16.616 14.042 1.00 0.00 C ATOM 1199 CG LEU A 81 -13.401 16.567 13.310 1.00 0.00 C ATOM 1200 CD1 LEU A 81 -12.889 17.974 13.039 1.00 0.00 C ATOM 1201 CD2 LEU A 81 -12.383 15.773 14.116 1.00 0.00 C ATOM 0 H LEU A 81 -15.645 15.408 12.087 1.00 0.00 H new ATOM 0 HA LEU A 81 -14.836 14.564 14.672 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -15.392 17.320 13.522 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -14.574 17.016 15.042 1.00 0.00 H new ATOM 0 HG LEU A 81 -13.548 16.066 12.353 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -11.933 17.919 12.518 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -13.609 18.511 12.421 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -12.757 18.501 13.984 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -11.434 15.748 13.580 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -12.239 16.246 15.087 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -12.746 14.755 14.258 1.00 0.00 H new ATOM 1213 N HIS A 82 -17.825 15.887 14.374 1.00 0.00 N ATOM 1214 CA HIS A 82 -19.091 16.101 15.066 1.00 0.00 C ATOM 1215 C HIS A 82 -19.597 14.802 15.688 1.00 0.00 C ATOM 1216 O HIS A 82 -19.928 14.759 16.872 1.00 0.00 O ATOM 1217 CB HIS A 82 -20.137 16.657 14.100 1.00 0.00 C ATOM 1218 CG HIS A 82 -21.402 17.093 14.772 1.00 0.00 C ATOM 1219 ND1 HIS A 82 -22.429 16.226 15.079 1.00 0.00 N ATOM 1220 CD2 HIS A 82 -21.803 18.314 15.199 1.00 0.00 C ATOM 1221 CE1 HIS A 82 -23.407 16.894 15.664 1.00 0.00 C ATOM 1222 NE2 HIS A 82 -23.052 18.163 15.749 1.00 0.00 N ATOM 0 H HIS A 82 -17.853 16.083 13.373 1.00 0.00 H new ATOM 0 HA HIS A 82 -18.922 16.824 15.864 1.00 0.00 H new ATOM 0 HB2 HIS A 82 -19.710 17.504 13.563 1.00 0.00 H new ATOM 0 HB3 HIS A 82 -20.374 15.896 13.357 1.00 0.00 H new ATOM 0 HD2 HIS A 82 -21.244 19.235 15.121 1.00 0.00 H new ATOM 0 HE1 HIS A 82 -24.339 16.474 16.013 1.00 0.00 H new ATOM 0 HE2 HIS A 82 -23.614 18.910 16.157 1.00 0.00 H new ATOM 1230 N ALA A 83 -19.653 13.748 14.882 1.00 0.00 N ATOM 1231 CA ALA A 83 -20.116 12.449 15.354 1.00 0.00 C ATOM 1232 C ALA A 83 -19.344 12.008 16.593 1.00 0.00 C ATOM 1233 O ALA A 83 -19.880 11.308 17.452 1.00 0.00 O ATOM 1234 CB ALA A 83 -19.986 11.409 14.250 1.00 0.00 C ATOM 0 H ALA A 83 -19.383 13.768 13.898 1.00 0.00 H new ATOM 0 HA ALA A 83 -21.167 12.543 15.627 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -20.335 10.444 14.616 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -20.588 11.711 13.393 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -18.942 11.326 13.949 1.00 0.00 H new ATOM 1240 N GLN A 84 -18.084 12.421 16.677 1.00 0.00 N ATOM 1241 CA GLN A 84 -17.238 12.066 17.811 1.00 0.00 C ATOM 1242 C GLN A 84 -17.605 12.889 19.042 1.00 0.00 C ATOM 1243 O GLN A 84 -17.893 12.340 20.106 1.00 0.00 O ATOM 1244 CB GLN A 84 -15.764 12.278 17.462 1.00 0.00 C ATOM 1245 CG GLN A 84 -15.169 11.155 16.627 1.00 0.00 C ATOM 1246 CD GLN A 84 -14.196 10.298 17.412 1.00 0.00 C ATOM 1247 OE1 GLN A 84 -13.320 10.811 18.109 1.00 0.00 O ATOM 1248 NE2 GLN A 84 -14.345 8.983 17.304 1.00 0.00 N ATOM 0 H GLN A 84 -17.626 13.001 15.974 1.00 0.00 H new ATOM 0 HA GLN A 84 -17.402 11.013 18.038 1.00 0.00 H new ATOM 0 HB2 GLN A 84 -15.659 13.218 16.920 1.00 0.00 H new ATOM 0 HB3 GLN A 84 -15.191 12.377 18.384 1.00 0.00 H new ATOM 0 HG2 GLN A 84 -15.973 10.527 16.244 1.00 0.00 H new ATOM 0 HG3 GLN A 84 -14.658 11.581 15.764 1.00 0.00 H new ATOM 0 HE21 GLN A 84 -15.085 8.600 16.715 1.00 0.00 H new ATOM 0 HE22 GLN A 84 -13.720 8.356 17.810 1.00 0.00 H new ATOM 1257 N LEU A 85 -17.591 14.209 18.890 1.00 0.00 N ATOM 1258 CA LEU A 85 -17.922 15.109 19.990 1.00 0.00 C ATOM 1259 C LEU A 85 -19.308 14.800 20.547 1.00 0.00 C ATOM 1260 O LEU A 85 -19.573 15.013 21.731 1.00 0.00 O ATOM 1261 CB LEU A 85 -17.861 16.563 19.520 1.00 0.00 C ATOM 1262 CG LEU A 85 -16.485 17.228 19.574 1.00 0.00 C ATOM 1263 CD1 LEU A 85 -16.459 18.472 18.699 1.00 0.00 C ATOM 1264 CD2 LEU A 85 -16.116 17.576 21.009 1.00 0.00 C ATOM 0 H LEU A 85 -17.354 14.680 18.017 1.00 0.00 H new ATOM 0 HA LEU A 85 -17.190 14.959 20.784 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -18.224 16.608 18.493 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -18.550 17.150 20.128 1.00 0.00 H new ATOM 0 HG LEU A 85 -15.747 16.523 19.191 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -15.472 18.932 18.750 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -16.678 18.196 17.668 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -17.208 19.181 19.052 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -15.134 18.048 21.028 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -16.857 18.263 21.419 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -16.093 16.667 21.609 1.00 0.00 H new ATOM 1276 N ARG A 86 -20.188 14.296 19.688 1.00 0.00 N ATOM 1277 CA ARG A 86 -21.546 13.957 20.095 1.00 0.00 C ATOM 1278 C ARG A 86 -21.541 12.813 21.104 1.00 0.00 C ATOM 1279 O ARG A 86 -22.419 12.726 21.963 1.00 0.00 O ATOM 1280 CB ARG A 86 -22.386 13.572 18.875 1.00 0.00 C ATOM 1281 CG ARG A 86 -23.176 14.731 18.290 1.00 0.00 C ATOM 1282 CD ARG A 86 -24.625 14.344 18.034 1.00 0.00 C ATOM 1283 NE ARG A 86 -25.540 15.455 18.283 1.00 0.00 N ATOM 1284 CZ ARG A 86 -25.808 15.929 19.495 1.00 0.00 C ATOM 1285 NH1 ARG A 86 -25.233 15.393 20.562 1.00 0.00 N ATOM 1286 NH2 ARG A 86 -26.652 16.942 19.640 1.00 0.00 N ATOM 0 H ARG A 86 -19.984 14.113 18.705 1.00 0.00 H new ATOM 0 HA ARG A 86 -21.987 14.834 20.568 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -21.729 13.166 18.106 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -23.077 12.777 19.156 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -23.140 15.579 18.974 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -22.714 15.054 17.357 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -24.734 14.009 17.003 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -24.894 13.503 18.673 1.00 0.00 H new ATOM 0 HE ARG A 86 -25.998 15.891 17.483 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -24.583 14.615 20.454 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -25.441 15.759 21.491 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -27.096 17.357 18.821 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -26.857 17.305 20.571 1.00 0.00 H new ATOM 1300 N ASP A 87 -20.548 11.937 20.994 1.00 0.00 N ATOM 1301 CA ASP A 87 -20.429 10.798 21.897 1.00 0.00 C ATOM 1302 C ASP A 87 -19.733 11.203 23.192 1.00 0.00 C ATOM 1303 O ASP A 87 -20.072 10.713 24.271 1.00 0.00 O ATOM 1304 CB ASP A 87 -19.658 9.663 21.221 1.00 0.00 C ATOM 1305 CG ASP A 87 -20.531 8.455 20.944 1.00 0.00 C ATOM 1306 OD1 ASP A 87 -20.901 7.755 21.910 1.00 0.00 O ATOM 1307 OD2 ASP A 87 -20.845 8.210 19.760 1.00 0.00 O ATOM 0 H ASP A 87 -19.814 11.994 20.288 1.00 0.00 H new ATOM 0 HA ASP A 87 -21.433 10.450 22.139 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -19.234 10.024 20.284 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -18.823 9.366 21.856 1.00 0.00 H new ATOM 1312 N LEU A 88 -18.757 12.097 23.079 1.00 0.00 N ATOM 1313 CA LEU A 88 -18.012 12.567 24.242 1.00 0.00 C ATOM 1314 C LEU A 88 -18.950 13.161 25.287 1.00 0.00 C ATOM 1315 O LEU A 88 -18.741 12.998 26.490 1.00 0.00 O ATOM 1316 CB LEU A 88 -16.975 13.610 23.820 1.00 0.00 C ATOM 1317 CG LEU A 88 -15.721 13.069 23.132 1.00 0.00 C ATOM 1318 CD1 LEU A 88 -15.035 14.167 22.333 1.00 0.00 C ATOM 1319 CD2 LEU A 88 -14.765 12.475 24.156 1.00 0.00 C ATOM 0 H LEU A 88 -18.463 12.511 22.194 1.00 0.00 H new ATOM 0 HA LEU A 88 -17.501 11.712 24.684 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -17.456 14.320 23.148 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -16.668 14.167 24.705 1.00 0.00 H new ATOM 0 HG LEU A 88 -16.020 12.279 22.443 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -14.145 13.764 21.850 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -15.719 14.546 21.574 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -14.749 14.979 23.002 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -13.878 12.095 23.648 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -14.472 13.245 24.870 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -15.258 11.659 24.684 1.00 0.00 H new