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 30:sc= 0 USER MOD Set 1.2: A 84 GLN : amide:sc= -0.133 X(o=-0.13,f=0.00083) USER MOD Set 2.1: A 57 MET CE :methyl 158:sc= -0.828 (180deg=-1.94!) USER MOD Set 2.2: A 65 CYS SG : rot -45:sc= 0.768 USER MOD Set 3.1: A 28 SER OG : rot 180:sc= 0 USER MOD Set 3.2: A 31 GLN :FLIP amide:sc= -0.739 F(o=-2.3,f=-0.74) USER MOD Set 4.1: A 25 GLN : amide:sc= -0.273 K(o=0.69,f=-0.73!) USER MOD Set 4.2: A 63 CYS SG : rot -34:sc= 0.962 USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 23 GLN : amide:sc= 0 K(o=0,f=-0.59) 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 37 SER OG : rot 180:sc= 0 USER MOD Single : A 39 GLN : amide:sc= -2.54! C(o=-2.5!,f=-7.5!) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 ASN : amide:sc= -2.02 X(o=-2,f=-1.7) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 TYR OH : rot -30:sc= -1.33 USER MOD Single : A 48 SER OG : rot -52:sc= 0.691 USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 55 CYS SG : rot 37:sc= 0.442 USER MOD Single : A 61 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 ASN : amide:sc= 0.376 X(o=0.38,f=-0.12) USER MOD Single : A 80 GLN : amide:sc= -0.292 X(o=-0.29,f=-0.29) USER MOD Single : A 82 HIS : no HD1:sc= -0.296 X(o=-0.3,f=-0.32) USER MOD ----------------------------------------------------------------- ATOM 203 N ALA A 17 -3.723 11.672 27.008 1.00 0.00 N ATOM 204 CA ALA A 17 -4.187 12.761 26.158 1.00 0.00 C ATOM 205 C ALA A 17 -4.589 13.975 26.989 1.00 0.00 C ATOM 206 O ALA A 17 -5.258 13.843 28.014 1.00 0.00 O ATOM 207 CB ALA A 17 -5.354 12.299 25.298 1.00 0.00 C ATOM 0 HA ALA A 17 -3.364 13.056 25.507 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -5.690 13.123 24.668 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -5.036 11.468 24.669 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -6.173 11.975 25.940 1.00 0.00 H new ATOM 213 N SER A 18 -4.175 15.156 26.542 1.00 0.00 N ATOM 214 CA SER A 18 -4.488 16.393 27.248 1.00 0.00 C ATOM 215 C SER A 18 -5.996 16.615 27.312 1.00 0.00 C ATOM 216 O SER A 18 -6.485 17.389 28.135 1.00 0.00 O ATOM 217 CB SER A 18 -3.814 17.582 26.560 1.00 0.00 C ATOM 218 OG SER A 18 -3.271 18.481 27.512 1.00 0.00 O ATOM 0 H SER A 18 -3.622 15.283 25.694 1.00 0.00 H new ATOM 0 HA SER A 18 -4.108 16.308 28.266 1.00 0.00 H new ATOM 0 HB2 SER A 18 -3.023 17.224 25.901 1.00 0.00 H new ATOM 0 HB3 SER A 18 -4.539 18.103 25.935 1.00 0.00 H new ATOM 0 HG SER A 18 -2.844 19.231 27.047 1.00 0.00 H new ATOM 224 N TRP A 19 -6.725 15.932 26.438 1.00 0.00 N ATOM 225 CA TRP A 19 -8.178 16.054 26.394 1.00 0.00 C ATOM 226 C TRP A 19 -8.847 14.771 26.874 1.00 0.00 C ATOM 227 O TRP A 19 -10.028 14.539 26.611 1.00 0.00 O ATOM 228 CB TRP A 19 -8.640 16.384 24.974 1.00 0.00 C ATOM 229 CG TRP A 19 -7.961 15.560 23.922 1.00 0.00 C ATOM 230 CD1 TRP A 19 -6.827 15.882 23.233 1.00 0.00 C ATOM 231 CD2 TRP A 19 -8.376 14.278 23.438 1.00 0.00 C ATOM 232 NE1 TRP A 19 -6.511 14.878 22.350 1.00 0.00 N ATOM 233 CE2 TRP A 19 -7.446 13.882 22.457 1.00 0.00 C ATOM 234 CE3 TRP A 19 -9.442 13.426 23.738 1.00 0.00 C ATOM 235 CZ2 TRP A 19 -7.552 12.672 21.776 1.00 0.00 C ATOM 236 CZ3 TRP A 19 -9.546 12.225 23.062 1.00 0.00 C ATOM 237 CH2 TRP A 19 -8.605 11.857 22.091 1.00 0.00 C ATOM 0 H TRP A 19 -6.335 15.288 25.750 1.00 0.00 H new ATOM 0 HA TRP A 19 -8.470 16.865 27.061 1.00 0.00 H new ATOM 0 HB2 TRP A 19 -9.717 16.232 24.905 1.00 0.00 H new ATOM 0 HB3 TRP A 19 -8.454 17.439 24.775 1.00 0.00 H new ATOM 0 HD1 TRP A 19 -6.261 16.793 23.363 1.00 0.00 H new ATOM 0 HE1 TRP A 19 -5.711 14.875 21.718 1.00 0.00 H new ATOM 0 HE3 TRP A 19 -10.172 13.701 24.485 1.00 0.00 H new ATOM 0 HZ2 TRP A 19 -6.829 12.387 21.026 1.00 0.00 H new ATOM 0 HZ3 TRP A 19 -10.366 11.559 23.286 1.00 0.00 H new ATOM 0 HH2 TRP A 19 -8.713 10.911 21.581 1.00 0.00 H new ATOM 248 N LEU A 20 -8.086 13.940 27.578 1.00 0.00 N ATOM 249 CA LEU A 20 -8.606 12.679 28.095 1.00 0.00 C ATOM 250 C LEU A 20 -8.832 12.760 29.602 1.00 0.00 C ATOM 251 O LEU A 20 -7.904 13.024 30.365 1.00 0.00 O ATOM 252 CB LEU A 20 -7.642 11.536 27.773 1.00 0.00 C ATOM 253 CG LEU A 20 -8.066 10.598 26.642 1.00 0.00 C ATOM 254 CD1 LEU A 20 -7.020 9.516 26.425 1.00 0.00 C ATOM 255 CD2 LEU A 20 -9.423 9.978 26.945 1.00 0.00 C ATOM 0 H LEU A 20 -7.107 14.117 27.804 1.00 0.00 H new ATOM 0 HA LEU A 20 -9.564 12.485 27.612 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -6.673 11.966 27.518 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -7.499 10.942 28.676 1.00 0.00 H new ATOM 0 HG LEU A 20 -8.151 11.181 25.725 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -7.339 8.858 25.617 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -6.068 9.978 26.163 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -6.902 8.935 27.340 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -9.710 9.313 26.130 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -9.364 9.410 27.873 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -10.168 10.767 27.049 1.00 0.00 H new ATOM 267 N GLY A 21 -10.071 12.528 30.023 1.00 0.00 N ATOM 268 CA GLY A 21 -10.396 12.577 31.437 1.00 0.00 C ATOM 269 C GLY A 21 -11.323 13.726 31.779 1.00 0.00 C ATOM 270 O GLY A 21 -11.965 13.722 32.828 1.00 0.00 O ATOM 0 H GLY A 21 -10.856 12.307 29.410 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -10.863 11.637 31.732 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -9.477 12.671 32.015 1.00 0.00 H new ATOM 274 N GLU A 22 -11.392 14.714 30.892 1.00 0.00 N ATOM 275 CA GLU A 22 -12.245 15.876 31.108 1.00 0.00 C ATOM 276 C GLU A 22 -13.253 16.029 29.972 1.00 0.00 C ATOM 277 O GLU A 22 -12.942 15.760 28.812 1.00 0.00 O ATOM 278 CB GLU A 22 -11.398 17.144 31.227 1.00 0.00 C ATOM 279 CG GLU A 22 -12.154 18.330 31.802 1.00 0.00 C ATOM 280 CD GLU A 22 -12.347 18.227 33.302 1.00 0.00 C ATOM 281 OE1 GLU A 22 -11.376 18.486 34.044 1.00 0.00 O ATOM 282 OE2 GLU A 22 -13.467 17.886 33.735 1.00 0.00 O ATOM 0 H GLU A 22 -10.867 14.732 30.017 1.00 0.00 H new ATOM 0 HA GLU A 22 -12.792 15.725 32.039 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -10.533 16.935 31.857 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -11.017 17.410 30.241 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -11.613 19.248 31.571 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -13.128 18.404 31.318 1.00 0.00 H new ATOM 289 N GLN A 23 -14.462 16.463 30.316 1.00 0.00 N ATOM 290 CA GLN A 23 -15.516 16.650 29.326 1.00 0.00 C ATOM 291 C GLN A 23 -15.092 17.661 28.265 1.00 0.00 C ATOM 292 O GLN A 23 -14.179 18.462 28.465 1.00 0.00 O ATOM 293 CB GLN A 23 -16.805 17.115 30.005 1.00 0.00 C ATOM 294 CG GLN A 23 -17.681 15.973 30.494 1.00 0.00 C ATOM 295 CD GLN A 23 -18.853 16.453 31.328 1.00 0.00 C ATOM 296 OE1 GLN A 23 -19.241 17.619 31.262 1.00 0.00 O ATOM 297 NE2 GLN A 23 -19.424 15.552 32.120 1.00 0.00 N ATOM 0 H GLN A 23 -14.735 16.691 31.272 1.00 0.00 H new ATOM 0 HA GLN A 23 -15.696 15.692 28.838 1.00 0.00 H new ATOM 0 HB2 GLN A 23 -16.550 17.754 30.850 1.00 0.00 H new ATOM 0 HB3 GLN A 23 -17.375 17.725 29.304 1.00 0.00 H new ATOM 0 HG2 GLN A 23 -18.055 15.414 29.636 1.00 0.00 H new ATOM 0 HG3 GLN A 23 -17.077 15.284 31.085 1.00 0.00 H new ATOM 0 HE21 GLN A 23 -19.070 14.596 32.143 1.00 0.00 H new ATOM 0 HE22 GLN A 23 -20.217 15.816 32.705 1.00 0.00 H new ATOM 306 N PRO A 24 -15.770 17.624 27.108 1.00 0.00 N ATOM 307 CA PRO A 24 -15.482 18.531 25.993 1.00 0.00 C ATOM 308 C PRO A 24 -15.885 19.970 26.296 1.00 0.00 C ATOM 309 O PRO A 24 -15.570 20.884 25.535 1.00 0.00 O ATOM 310 CB PRO A 24 -16.331 17.968 24.850 1.00 0.00 C ATOM 311 CG PRO A 24 -17.446 17.248 25.526 1.00 0.00 C ATOM 312 CD PRO A 24 -16.871 16.696 26.800 1.00 0.00 C ATOM 0 HA PRO A 24 -14.416 18.576 25.770 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -16.706 18.764 24.206 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -15.750 17.295 24.219 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -18.277 17.922 25.733 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -17.834 16.449 24.895 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -17.612 16.673 27.599 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -16.512 15.675 26.669 1.00 0.00 H new ATOM 320 N GLN A 25 -16.580 20.162 27.412 1.00 0.00 N ATOM 321 CA GLN A 25 -17.026 21.491 27.815 1.00 0.00 C ATOM 322 C GLN A 25 -15.932 22.220 28.589 1.00 0.00 C ATOM 323 O GLN A 25 -15.907 23.450 28.639 1.00 0.00 O ATOM 324 CB GLN A 25 -18.291 21.391 28.669 1.00 0.00 C ATOM 325 CG GLN A 25 -19.331 20.436 28.105 1.00 0.00 C ATOM 326 CD GLN A 25 -20.721 21.040 28.074 1.00 0.00 C ATOM 327 OE1 GLN A 25 -20.881 22.251 27.917 1.00 0.00 O ATOM 328 NE2 GLN A 25 -21.737 20.197 28.224 1.00 0.00 N ATOM 0 H GLN A 25 -16.847 19.415 28.053 1.00 0.00 H new ATOM 0 HA GLN A 25 -17.250 22.061 26.913 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -18.017 21.066 29.673 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -18.734 22.382 28.765 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -19.042 20.146 27.095 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -19.347 19.527 28.706 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -21.559 19.201 28.351 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -22.695 20.546 28.212 1.00 0.00 H new ATOM 337 N PHE A 26 -15.029 21.453 29.191 1.00 0.00 N ATOM 338 CA PHE A 26 -13.933 22.026 29.964 1.00 0.00 C ATOM 339 C PHE A 26 -12.598 21.810 29.258 1.00 0.00 C ATOM 340 O PHE A 26 -11.613 21.412 29.879 1.00 0.00 O ATOM 341 CB PHE A 26 -13.889 21.407 31.363 1.00 0.00 C ATOM 342 CG PHE A 26 -15.161 21.590 32.140 1.00 0.00 C ATOM 343 CD1 PHE A 26 -16.212 20.700 31.994 1.00 0.00 C ATOM 344 CD2 PHE A 26 -15.305 22.653 33.017 1.00 0.00 C ATOM 345 CE1 PHE A 26 -17.384 20.867 32.708 1.00 0.00 C ATOM 346 CE2 PHE A 26 -16.475 22.825 33.734 1.00 0.00 C ATOM 347 CZ PHE A 26 -17.515 21.930 33.579 1.00 0.00 C ATOM 0 H PHE A 26 -15.034 20.434 29.159 1.00 0.00 H new ATOM 0 HA PHE A 26 -14.107 23.098 30.054 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -13.677 20.341 31.274 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -13.065 21.850 31.922 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -16.115 19.866 31.315 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -14.494 23.355 33.142 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -18.197 20.166 32.584 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -16.575 23.658 34.414 1.00 0.00 H new ATOM 0 HZ PHE A 26 -18.430 22.061 34.138 1.00 0.00 H new ATOM 357 N TRP A 27 -12.575 22.075 27.957 1.00 0.00 N ATOM 358 CA TRP A 27 -11.361 21.909 27.165 1.00 0.00 C ATOM 359 C TRP A 27 -10.640 23.241 26.988 1.00 0.00 C ATOM 360 O TRP A 27 -11.237 24.306 27.146 1.00 0.00 O ATOM 361 CB TRP A 27 -11.698 21.312 25.797 1.00 0.00 C ATOM 362 CG TRP A 27 -11.821 19.819 25.815 1.00 0.00 C ATOM 363 CD1 TRP A 27 -11.792 19.007 26.913 1.00 0.00 C ATOM 364 CD2 TRP A 27 -11.989 18.959 24.683 1.00 0.00 C ATOM 365 NE1 TRP A 27 -11.933 17.695 26.531 1.00 0.00 N ATOM 366 CE2 TRP A 27 -12.056 17.638 25.168 1.00 0.00 C ATOM 367 CE3 TRP A 27 -12.091 19.176 23.306 1.00 0.00 C ATOM 368 CZ2 TRP A 27 -12.219 16.543 24.325 1.00 0.00 C ATOM 369 CZ3 TRP A 27 -12.253 18.088 22.470 1.00 0.00 C ATOM 370 CH2 TRP A 27 -12.317 16.785 22.981 1.00 0.00 C ATOM 0 H TRP A 27 -13.382 22.405 27.428 1.00 0.00 H new ATOM 0 HA TRP A 27 -10.699 21.227 27.699 1.00 0.00 H new ATOM 0 HB2 TRP A 27 -12.634 21.742 25.441 1.00 0.00 H new ATOM 0 HB3 TRP A 27 -10.925 21.597 25.084 1.00 0.00 H new ATOM 0 HD1 TRP A 27 -11.675 19.346 27.932 1.00 0.00 H new ATOM 0 HE1 TRP A 27 -11.944 16.893 27.161 1.00 0.00 H new ATOM 0 HE3 TRP A 27 -12.044 20.177 22.903 1.00 0.00 H new ATOM 0 HZ2 TRP A 27 -12.267 15.538 24.717 1.00 0.00 H new ATOM 0 HZ3 TRP A 27 -12.332 18.245 21.404 1.00 0.00 H new ATOM 0 HH2 TRP A 27 -12.446 15.955 22.302 1.00 0.00 H new ATOM 381 N SER A 28 -9.354 23.174 26.661 1.00 0.00 N ATOM 382 CA SER A 28 -8.551 24.375 26.466 1.00 0.00 C ATOM 383 C SER A 28 -8.265 24.604 24.985 1.00 0.00 C ATOM 384 O SER A 28 -8.523 23.737 24.149 1.00 0.00 O ATOM 385 CB SER A 28 -7.236 24.266 27.240 1.00 0.00 C ATOM 386 OG SER A 28 -7.455 24.381 28.636 1.00 0.00 O ATOM 0 H SER A 28 -8.845 22.300 26.525 1.00 0.00 H new ATOM 0 HA SER A 28 -9.118 25.226 26.844 1.00 0.00 H new ATOM 0 HB2 SER A 28 -6.760 23.310 27.021 1.00 0.00 H new ATOM 0 HB3 SER A 28 -6.551 25.047 26.911 1.00 0.00 H new ATOM 0 HG SER A 28 -6.600 24.306 29.109 1.00 0.00 H new ATOM 392 N LYS A 29 -7.728 25.777 24.667 1.00 0.00 N ATOM 393 CA LYS A 29 -7.404 26.121 23.287 1.00 0.00 C ATOM 394 C LYS A 29 -6.406 25.130 22.699 1.00 0.00 C ATOM 395 O LYS A 29 -6.354 24.931 21.484 1.00 0.00 O ATOM 396 CB LYS A 29 -6.834 27.540 23.215 1.00 0.00 C ATOM 397 CG LYS A 29 -7.894 28.626 23.270 1.00 0.00 C ATOM 398 CD LYS A 29 -7.425 29.823 24.080 1.00 0.00 C ATOM 399 CE LYS A 29 -8.542 30.835 24.277 1.00 0.00 C ATOM 400 NZ LYS A 29 -8.089 32.017 25.062 1.00 0.00 N ATOM 0 H LYS A 29 -7.508 26.506 25.346 1.00 0.00 H new ATOM 0 HA LYS A 29 -8.322 26.074 22.701 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -6.136 27.684 24.039 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -6.264 27.647 22.292 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -8.142 28.945 22.258 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -8.806 28.223 23.710 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -7.062 29.487 25.051 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -6.586 30.300 23.574 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -8.909 31.164 23.305 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -9.378 30.358 24.789 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -8.880 32.683 25.174 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -7.762 31.707 25.999 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -7.308 32.488 24.561 1.00 0.00 H new ATOM 414 N THR A 30 -5.615 24.507 23.567 1.00 0.00 N ATOM 415 CA THR A 30 -4.619 23.536 23.133 1.00 0.00 C ATOM 416 C THR A 30 -5.229 22.145 22.999 1.00 0.00 C ATOM 417 O THR A 30 -4.942 21.422 22.046 1.00 0.00 O ATOM 418 CB THR A 30 -3.433 23.471 24.114 1.00 0.00 C ATOM 419 OG1 THR A 30 -3.063 24.792 24.523 1.00 0.00 O ATOM 420 CG2 THR A 30 -2.239 22.780 23.474 1.00 0.00 C ATOM 0 H THR A 30 -5.645 24.658 24.575 1.00 0.00 H new ATOM 0 HA THR A 30 -4.258 23.867 22.159 1.00 0.00 H new ATOM 0 HB THR A 30 -3.742 22.894 24.986 1.00 0.00 H new ATOM 0 HG1 THR A 30 -2.310 24.742 25.148 1.00 0.00 H new ATOM 0 HG21 THR A 30 -1.414 22.746 24.185 1.00 0.00 H new ATOM 0 HG22 THR A 30 -2.515 21.765 23.190 1.00 0.00 H new ATOM 0 HG23 THR A 30 -1.931 23.334 22.587 1.00 0.00 H new ATOM 428 N GLN A 31 -6.073 21.779 23.959 1.00 0.00 N ATOM 429 CA GLN A 31 -6.723 20.474 23.946 1.00 0.00 C ATOM 430 C GLN A 31 -7.487 20.259 22.643 1.00 0.00 C ATOM 431 O GLN A 31 -7.340 19.226 21.989 1.00 0.00 O ATOM 432 CB GLN A 31 -7.675 20.344 25.136 1.00 0.00 C ATOM 433 CG GLN A 31 -6.980 20.445 26.485 1.00 0.00 C ATOM 434 CD GLN A 31 -7.947 20.341 27.648 1.00 0.00 C ATOM 435 OE1 GLN A 31 -8.839 19.359 27.591 1.00 0.00 O flip ATOM 436 NE2 GLN A 31 -7.892 21.135 28.588 1.00 0.00 N flip ATOM 0 H GLN A 31 -6.322 22.367 24.754 1.00 0.00 H new ATOM 0 HA GLN A 31 -5.949 19.710 24.023 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -8.435 21.122 25.069 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -8.192 19.387 25.074 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -6.234 19.654 26.565 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -6.446 21.394 26.545 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -7.190 21.875 28.590 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -8.549 21.053 29.364 1.00 0.00 H new ATOM 445 N VAL A 32 -8.302 21.240 22.272 1.00 0.00 N ATOM 446 CA VAL A 32 -9.088 21.159 21.047 1.00 0.00 C ATOM 447 C VAL A 32 -8.207 20.823 19.849 1.00 0.00 C ATOM 448 O VAL A 32 -8.346 19.762 19.240 1.00 0.00 O ATOM 449 CB VAL A 32 -9.833 22.478 20.769 1.00 0.00 C ATOM 450 CG1 VAL A 32 -10.620 22.384 19.471 1.00 0.00 C ATOM 451 CG2 VAL A 32 -10.747 22.829 21.932 1.00 0.00 C ATOM 0 H VAL A 32 -8.436 22.101 22.802 1.00 0.00 H new ATOM 0 HA VAL A 32 -9.818 20.362 21.192 1.00 0.00 H new ATOM 0 HB VAL A 32 -9.097 23.275 20.662 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -11.140 23.325 19.292 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -9.937 22.183 18.645 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -11.348 21.576 19.545 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -11.265 23.764 21.718 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -11.478 22.033 22.073 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -10.154 22.942 22.839 1.00 0.00 H new ATOM 461 N LEU A 33 -7.298 21.734 19.517 1.00 0.00 N ATOM 462 CA LEU A 33 -6.392 21.535 18.391 1.00 0.00 C ATOM 463 C LEU A 33 -5.627 20.223 18.534 1.00 0.00 C ATOM 464 O LEU A 33 -5.263 19.594 17.540 1.00 0.00 O ATOM 465 CB LEU A 33 -5.410 22.703 18.290 1.00 0.00 C ATOM 466 CG LEU A 33 -6.011 24.053 17.898 1.00 0.00 C ATOM 467 CD1 LEU A 33 -5.156 25.193 18.432 1.00 0.00 C ATOM 468 CD2 LEU A 33 -6.155 24.155 16.387 1.00 0.00 C ATOM 0 H LEU A 33 -7.169 22.617 20.011 1.00 0.00 H new ATOM 0 HA LEU A 33 -6.988 21.489 17.479 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -4.911 22.816 19.252 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -4.642 22.444 17.561 1.00 0.00 H new ATOM 0 HG LEU A 33 -7.003 24.130 18.343 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -5.599 26.146 18.143 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -5.105 25.131 19.519 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -4.151 25.119 18.017 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -6.584 25.123 16.127 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -5.175 24.056 15.921 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -6.809 23.360 16.029 1.00 0.00 H new ATOM 480 N ASP A 34 -5.388 19.815 19.775 1.00 0.00 N ATOM 481 CA ASP A 34 -4.669 18.576 20.048 1.00 0.00 C ATOM 482 C ASP A 34 -5.544 17.363 19.747 1.00 0.00 C ATOM 483 O ASP A 34 -5.040 16.291 19.411 1.00 0.00 O ATOM 484 CB ASP A 34 -4.209 18.539 21.506 1.00 0.00 C ATOM 485 CG ASP A 34 -2.909 19.290 21.722 1.00 0.00 C ATOM 486 OD1 ASP A 34 -2.653 20.258 20.977 1.00 0.00 O ATOM 487 OD2 ASP A 34 -2.148 18.907 22.635 1.00 0.00 O ATOM 0 H ASP A 34 -5.682 20.324 20.609 1.00 0.00 H new ATOM 0 HA ASP A 34 -3.794 18.541 19.398 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -4.984 18.970 22.140 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -4.083 17.502 21.818 1.00 0.00 H new ATOM 492 N TRP A 35 -6.854 17.539 19.872 1.00 0.00 N ATOM 493 CA TRP A 35 -7.799 16.458 19.614 1.00 0.00 C ATOM 494 C TRP A 35 -8.032 16.284 18.118 1.00 0.00 C ATOM 495 O TRP A 35 -8.276 15.174 17.644 1.00 0.00 O ATOM 496 CB TRP A 35 -9.127 16.734 20.321 1.00 0.00 C ATOM 497 CG TRP A 35 -10.209 15.766 19.950 1.00 0.00 C ATOM 498 CD1 TRP A 35 -10.349 14.483 20.394 1.00 0.00 C ATOM 499 CD2 TRP A 35 -11.302 16.005 19.056 1.00 0.00 C ATOM 500 NE1 TRP A 35 -11.463 13.909 19.831 1.00 0.00 N ATOM 501 CE2 TRP A 35 -12.066 14.822 19.007 1.00 0.00 C ATOM 502 CE3 TRP A 35 -11.711 17.103 18.294 1.00 0.00 C ATOM 503 CZ2 TRP A 35 -13.212 14.709 18.225 1.00 0.00 C ATOM 504 CZ3 TRP A 35 -12.849 16.988 17.518 1.00 0.00 C ATOM 505 CH2 TRP A 35 -13.589 15.799 17.489 1.00 0.00 C ATOM 0 H TRP A 35 -7.287 18.420 20.150 1.00 0.00 H new ATOM 0 HA TRP A 35 -7.372 15.535 20.006 1.00 0.00 H new ATOM 0 HB2 TRP A 35 -8.971 16.698 21.399 1.00 0.00 H new ATOM 0 HB3 TRP A 35 -9.455 17.745 20.080 1.00 0.00 H new ATOM 0 HD1 TRP A 35 -9.682 13.991 21.086 1.00 0.00 H new ATOM 0 HE1 TRP A 35 -11.788 12.957 19.999 1.00 0.00 H new ATOM 0 HE3 TRP A 35 -11.148 18.025 18.311 1.00 0.00 H new ATOM 0 HZ2 TRP A 35 -13.784 13.793 18.200 1.00 0.00 H new ATOM 0 HZ3 TRP A 35 -13.173 17.829 16.924 1.00 0.00 H new ATOM 0 HH2 TRP A 35 -14.475 15.742 16.874 1.00 0.00 H new ATOM 516 N ILE A 36 -7.954 17.385 17.379 1.00 0.00 N ATOM 517 CA ILE A 36 -8.155 17.352 15.936 1.00 0.00 C ATOM 518 C ILE A 36 -7.116 16.467 15.256 1.00 0.00 C ATOM 519 O ILE A 36 -7.458 15.574 14.481 1.00 0.00 O ATOM 520 CB ILE A 36 -8.088 18.765 15.326 1.00 0.00 C ATOM 521 CG1 ILE A 36 -9.143 19.671 15.964 1.00 0.00 C ATOM 522 CG2 ILE A 36 -8.279 18.700 13.818 1.00 0.00 C ATOM 523 CD1 ILE A 36 -9.090 21.100 15.472 1.00 0.00 C ATOM 0 H ILE A 36 -7.753 18.311 17.756 1.00 0.00 H new ATOM 0 HA ILE A 36 -9.149 16.938 15.765 1.00 0.00 H new ATOM 0 HB ILE A 36 -7.104 19.187 15.530 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -10.133 19.262 15.761 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -9.011 19.663 17.046 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -8.229 19.706 13.401 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -7.494 18.086 13.378 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -9.251 18.262 13.593 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -9.866 21.684 15.967 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -8.113 21.527 15.700 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -9.252 21.120 14.394 1.00 0.00 H new ATOM 535 N SER A 37 -5.845 16.721 15.552 1.00 0.00 N ATOM 536 CA SER A 37 -4.755 15.948 14.968 1.00 0.00 C ATOM 537 C SER A 37 -4.992 14.452 15.149 1.00 0.00 C ATOM 538 O SER A 37 -4.646 13.648 14.283 1.00 0.00 O ATOM 539 CB SER A 37 -3.422 16.346 15.605 1.00 0.00 C ATOM 540 OG SER A 37 -2.382 15.472 15.199 1.00 0.00 O ATOM 0 H SER A 37 -5.545 17.456 16.193 1.00 0.00 H new ATOM 0 HA SER A 37 -4.719 16.165 13.901 1.00 0.00 H new ATOM 0 HB2 SER A 37 -3.172 17.369 15.324 1.00 0.00 H new ATOM 0 HB3 SER A 37 -3.514 16.327 16.691 1.00 0.00 H new ATOM 0 HG SER A 37 -1.540 15.748 15.618 1.00 0.00 H new ATOM 546 N TYR A 38 -5.584 14.086 16.281 1.00 0.00 N ATOM 547 CA TYR A 38 -5.865 12.687 16.578 1.00 0.00 C ATOM 548 C TYR A 38 -6.838 12.099 15.561 1.00 0.00 C ATOM 549 O TYR A 38 -6.633 10.996 15.055 1.00 0.00 O ATOM 550 CB TYR A 38 -6.440 12.549 17.989 1.00 0.00 C ATOM 551 CG TYR A 38 -7.543 11.520 18.095 1.00 0.00 C ATOM 552 CD1 TYR A 38 -7.274 10.166 17.945 1.00 0.00 C ATOM 553 CD2 TYR A 38 -8.855 11.903 18.346 1.00 0.00 C ATOM 554 CE1 TYR A 38 -8.278 9.222 18.041 1.00 0.00 C ATOM 555 CE2 TYR A 38 -9.866 10.967 18.445 1.00 0.00 C ATOM 556 CZ TYR A 38 -9.573 9.628 18.291 1.00 0.00 C ATOM 557 OH TYR A 38 -10.577 8.692 18.388 1.00 0.00 O ATOM 0 H TYR A 38 -5.878 14.739 17.007 1.00 0.00 H new ATOM 0 HA TYR A 38 -4.928 12.134 16.519 1.00 0.00 H new ATOM 0 HB2 TYR A 38 -5.637 12.280 18.675 1.00 0.00 H new ATOM 0 HB3 TYR A 38 -6.825 13.516 18.312 1.00 0.00 H new ATOM 0 HD1 TYR A 38 -6.261 9.845 17.750 1.00 0.00 H new ATOM 0 HD2 TYR A 38 -9.088 12.951 18.466 1.00 0.00 H new ATOM 0 HE1 TYR A 38 -8.051 8.173 17.921 1.00 0.00 H new ATOM 0 HE2 TYR A 38 -10.880 11.282 18.642 1.00 0.00 H new ATOM 0 HH TYR A 38 -10.208 7.851 18.729 1.00 0.00 H new ATOM 567 N GLN A 39 -7.898 12.845 15.266 1.00 0.00 N ATOM 568 CA GLN A 39 -8.904 12.398 14.309 1.00 0.00 C ATOM 569 C GLN A 39 -8.413 12.584 12.877 1.00 0.00 C ATOM 570 O GLN A 39 -8.891 11.921 11.956 1.00 0.00 O ATOM 571 CB GLN A 39 -10.211 13.164 14.516 1.00 0.00 C ATOM 572 CG GLN A 39 -11.203 12.444 15.416 1.00 0.00 C ATOM 573 CD GLN A 39 -12.354 11.831 14.644 1.00 0.00 C ATOM 574 OE1 GLN A 39 -13.053 12.518 13.899 1.00 0.00 O ATOM 575 NE2 GLN A 39 -12.557 10.530 14.817 1.00 0.00 N ATOM 0 H GLN A 39 -8.082 13.761 15.675 1.00 0.00 H new ATOM 0 HA GLN A 39 -9.083 11.336 14.477 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -9.986 14.140 14.945 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -10.676 13.342 13.546 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -10.684 11.661 15.969 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -11.597 13.146 16.151 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -11.953 9.999 15.444 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -13.317 10.062 14.322 1.00 0.00 H new ATOM 584 N VAL A 40 -7.457 13.489 12.697 1.00 0.00 N ATOM 585 CA VAL A 40 -6.901 13.762 11.377 1.00 0.00 C ATOM 586 C VAL A 40 -5.877 12.703 10.983 1.00 0.00 C ATOM 587 O VAL A 40 -5.675 12.432 9.800 1.00 0.00 O ATOM 588 CB VAL A 40 -6.235 15.150 11.324 1.00 0.00 C ATOM 589 CG1 VAL A 40 -5.620 15.395 9.955 1.00 0.00 C ATOM 590 CG2 VAL A 40 -7.242 16.237 11.668 1.00 0.00 C ATOM 0 H VAL A 40 -7.051 14.046 13.449 1.00 0.00 H new ATOM 0 HA VAL A 40 -7.732 13.740 10.672 1.00 0.00 H new ATOM 0 HB VAL A 40 -5.436 15.179 12.065 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -5.154 16.380 9.936 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -4.867 14.634 9.753 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -6.398 15.347 9.193 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -6.755 17.211 11.626 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -8.064 16.211 10.953 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -7.630 16.069 12.673 1.00 0.00 H new ATOM 600 N GLU A 41 -5.234 12.108 11.983 1.00 0.00 N ATOM 601 CA GLU A 41 -4.230 11.079 11.740 1.00 0.00 C ATOM 602 C GLU A 41 -4.875 9.698 11.666 1.00 0.00 C ATOM 603 O GLU A 41 -4.342 8.784 11.035 1.00 0.00 O ATOM 604 CB GLU A 41 -3.169 11.101 12.841 1.00 0.00 C ATOM 605 CG GLU A 41 -2.058 10.084 12.636 1.00 0.00 C ATOM 606 CD GLU A 41 -1.537 10.069 11.212 1.00 0.00 C ATOM 607 OE1 GLU A 41 -1.259 11.160 10.671 1.00 0.00 O ATOM 608 OE2 GLU A 41 -1.408 8.967 10.639 1.00 0.00 O ATOM 0 H GLU A 41 -5.390 12.321 12.968 1.00 0.00 H new ATOM 0 HA GLU A 41 -3.753 11.290 10.783 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -2.732 12.098 12.893 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -3.650 10.913 13.801 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -1.237 10.306 13.317 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -2.427 9.091 12.895 1.00 0.00 H new ATOM 615 N LYS A 42 -6.024 9.552 12.316 1.00 0.00 N ATOM 616 CA LYS A 42 -6.743 8.283 12.325 1.00 0.00 C ATOM 617 C LYS A 42 -7.624 8.148 11.087 1.00 0.00 C ATOM 618 O LYS A 42 -7.774 7.058 10.537 1.00 0.00 O ATOM 619 CB LYS A 42 -7.599 8.168 13.588 1.00 0.00 C ATOM 620 CG LYS A 42 -7.492 6.817 14.274 1.00 0.00 C ATOM 621 CD LYS A 42 -7.135 6.965 15.744 1.00 0.00 C ATOM 622 CE LYS A 42 -6.235 5.833 16.216 1.00 0.00 C ATOM 623 NZ LYS A 42 -5.586 6.147 17.519 1.00 0.00 N ATOM 0 H LYS A 42 -6.478 10.297 12.844 1.00 0.00 H new ATOM 0 HA LYS A 42 -6.009 7.478 12.316 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -7.302 8.947 14.290 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -8.641 8.353 13.328 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -8.438 6.284 14.180 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -6.735 6.213 13.774 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -6.634 7.920 15.903 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -8.047 6.980 16.341 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -6.821 4.919 16.313 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -5.468 5.641 15.465 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -4.981 5.351 17.806 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -5.006 7.005 17.420 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -6.317 6.305 18.242 1.00 0.00 H new ATOM 637 N ASN A 43 -8.202 9.263 10.653 1.00 0.00 N ATOM 638 CA ASN A 43 -9.067 9.269 9.479 1.00 0.00 C ATOM 639 C ASN A 43 -8.242 9.265 8.196 1.00 0.00 C ATOM 640 O ASN A 43 -8.788 9.212 7.093 1.00 0.00 O ATOM 641 CB ASN A 43 -9.987 10.491 9.503 1.00 0.00 C ATOM 642 CG ASN A 43 -11.132 10.334 10.485 1.00 0.00 C ATOM 643 OD1 ASN A 43 -12.295 10.542 10.138 1.00 0.00 O ATOM 644 ND2 ASN A 43 -10.807 9.964 11.718 1.00 0.00 N ATOM 0 H ASN A 43 -8.087 10.174 11.097 1.00 0.00 H new ATOM 0 HA ASN A 43 -9.675 8.365 9.502 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -9.406 11.375 9.765 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -10.389 10.659 8.504 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -11.535 9.841 12.422 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -9.830 9.802 11.961 1.00 0.00 H new ATOM 651 N LYS A 44 -6.923 9.321 8.347 1.00 0.00 N ATOM 652 CA LYS A 44 -6.021 9.322 7.201 1.00 0.00 C ATOM 653 C LYS A 44 -6.234 10.563 6.341 1.00 0.00 C ATOM 654 O LYS A 44 -5.873 10.585 5.164 1.00 0.00 O ATOM 655 CB LYS A 44 -6.232 8.062 6.359 1.00 0.00 C ATOM 656 CG LYS A 44 -5.082 7.073 6.444 1.00 0.00 C ATOM 657 CD LYS A 44 -5.573 5.638 6.353 1.00 0.00 C ATOM 658 CE LYS A 44 -4.996 4.927 5.138 1.00 0.00 C ATOM 659 NZ LYS A 44 -5.571 5.447 3.866 1.00 0.00 N ATOM 0 H LYS A 44 -6.455 9.366 9.252 1.00 0.00 H new ATOM 0 HA LYS A 44 -4.998 9.334 7.576 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -7.149 7.569 6.682 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -6.375 8.351 5.318 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -4.373 7.268 5.639 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -4.546 7.216 7.382 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -5.294 5.099 7.258 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -6.662 5.628 6.299 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -3.913 5.051 5.125 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -5.193 3.858 5.215 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -5.153 4.937 3.062 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -6.601 5.305 3.867 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -5.361 6.462 3.779 1.00 0.00 H new ATOM 673 N TYR A 45 -6.822 11.595 6.936 1.00 0.00 N ATOM 674 CA TYR A 45 -7.085 12.840 6.223 1.00 0.00 C ATOM 675 C TYR A 45 -5.781 13.531 5.836 1.00 0.00 C ATOM 676 O TYR A 45 -4.791 13.468 6.565 1.00 0.00 O ATOM 677 CB TYR A 45 -7.935 13.775 7.085 1.00 0.00 C ATOM 678 CG TYR A 45 -8.635 14.857 6.294 1.00 0.00 C ATOM 679 CD1 TYR A 45 -9.402 14.543 5.179 1.00 0.00 C ATOM 680 CD2 TYR A 45 -8.529 16.193 6.661 1.00 0.00 C ATOM 681 CE1 TYR A 45 -10.044 15.529 4.453 1.00 0.00 C ATOM 682 CE2 TYR A 45 -9.168 17.184 5.942 1.00 0.00 C ATOM 683 CZ TYR A 45 -9.924 16.847 4.838 1.00 0.00 C ATOM 684 OH TYR A 45 -10.560 17.832 4.118 1.00 0.00 O ATOM 0 H TYR A 45 -7.126 11.594 7.910 1.00 0.00 H new ATOM 0 HA TYR A 45 -7.632 12.600 5.311 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -8.681 13.186 7.618 1.00 0.00 H new ATOM 0 HB3 TYR A 45 -7.299 14.241 7.838 1.00 0.00 H new ATOM 0 HD1 TYR A 45 -9.498 13.511 4.874 1.00 0.00 H new ATOM 0 HD2 TYR A 45 -7.937 16.461 7.523 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -10.636 15.268 3.589 1.00 0.00 H new ATOM 0 HE2 TYR A 45 -9.076 18.217 6.242 1.00 0.00 H new ATOM 0 HH TYR A 45 -10.630 17.558 3.180 1.00 0.00 H new ATOM 694 N ASP A 46 -5.790 14.191 4.683 1.00 0.00 N ATOM 695 CA ASP A 46 -4.609 14.897 4.198 1.00 0.00 C ATOM 696 C ASP A 46 -4.240 16.045 5.132 1.00 0.00 C ATOM 697 O ASP A 46 -3.080 16.451 5.203 1.00 0.00 O ATOM 698 CB ASP A 46 -4.853 15.431 2.785 1.00 0.00 C ATOM 699 CG ASP A 46 -3.739 15.062 1.826 1.00 0.00 C ATOM 700 OD1 ASP A 46 -3.448 13.855 1.690 1.00 0.00 O ATOM 701 OD2 ASP A 46 -3.157 15.980 1.212 1.00 0.00 O ATOM 0 H ASP A 46 -6.601 14.252 4.067 1.00 0.00 H new ATOM 0 HA ASP A 46 -3.779 14.191 4.174 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -5.797 15.037 2.409 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -4.952 16.516 2.822 1.00 0.00 H new ATOM 706 N ALA A 47 -5.233 16.563 5.847 1.00 0.00 N ATOM 707 CA ALA A 47 -5.012 17.662 6.778 1.00 0.00 C ATOM 708 C ALA A 47 -4.495 18.900 6.052 1.00 0.00 C ATOM 709 O ALA A 47 -3.832 19.748 6.648 1.00 0.00 O ATOM 710 CB ALA A 47 -4.039 17.242 7.869 1.00 0.00 C ATOM 0 H ALA A 47 -6.199 16.239 5.799 1.00 0.00 H new ATOM 0 HA ALA A 47 -5.968 17.915 7.237 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -3.883 18.073 8.557 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -4.448 16.391 8.414 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -3.087 16.960 7.419 1.00 0.00 H new ATOM 716 N SER A 48 -4.801 18.995 4.762 1.00 0.00 N ATOM 717 CA SER A 48 -4.363 20.127 3.955 1.00 0.00 C ATOM 718 C SER A 48 -5.533 21.051 3.633 1.00 0.00 C ATOM 719 O SER A 48 -5.522 21.757 2.625 1.00 0.00 O ATOM 720 CB SER A 48 -3.715 19.636 2.659 1.00 0.00 C ATOM 721 OG SER A 48 -3.134 20.710 1.940 1.00 0.00 O ATOM 0 H SER A 48 -5.350 18.302 4.254 1.00 0.00 H new ATOM 0 HA SER A 48 -3.628 20.689 4.531 1.00 0.00 H new ATOM 0 HB2 SER A 48 -2.951 18.893 2.889 1.00 0.00 H new ATOM 0 HB3 SER A 48 -4.463 19.142 2.039 1.00 0.00 H new ATOM 0 HG SER A 48 -3.798 21.421 1.821 1.00 0.00 H new ATOM 727 N ALA A 49 -6.543 21.040 4.497 1.00 0.00 N ATOM 728 CA ALA A 49 -7.721 21.877 4.308 1.00 0.00 C ATOM 729 C ALA A 49 -8.031 22.682 5.565 1.00 0.00 C ATOM 730 O ALA A 49 -8.421 23.847 5.487 1.00 0.00 O ATOM 731 CB ALA A 49 -8.918 21.023 3.917 1.00 0.00 C ATOM 0 H ALA A 49 -6.569 20.460 5.336 1.00 0.00 H new ATOM 0 HA ALA A 49 -7.511 22.580 3.502 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -9.791 21.661 3.779 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -8.702 20.498 2.987 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -9.120 20.297 4.705 1.00 0.00 H new ATOM 737 N ILE A 50 -7.855 22.054 6.722 1.00 0.00 N ATOM 738 CA ILE A 50 -8.116 22.713 7.996 1.00 0.00 C ATOM 739 C ILE A 50 -7.385 24.048 8.084 1.00 0.00 C ATOM 740 O ILE A 50 -6.156 24.099 8.045 1.00 0.00 O ATOM 741 CB ILE A 50 -7.691 21.829 9.184 1.00 0.00 C ATOM 742 CG1 ILE A 50 -8.431 20.490 9.142 1.00 0.00 C ATOM 743 CG2 ILE A 50 -7.958 22.547 10.499 1.00 0.00 C ATOM 744 CD1 ILE A 50 -7.910 19.481 10.141 1.00 0.00 C ATOM 0 H ILE A 50 -7.533 21.090 6.804 1.00 0.00 H new ATOM 0 HA ILE A 50 -9.191 22.886 8.048 1.00 0.00 H new ATOM 0 HB ILE A 50 -6.621 21.634 9.109 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -9.490 20.663 9.331 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -8.351 20.071 8.139 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -7.653 21.910 11.330 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -7.391 23.477 10.527 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -9.022 22.768 10.583 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -8.480 18.556 10.055 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -6.858 19.279 9.939 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -8.015 19.880 11.150 1.00 0.00 H new ATOM 756 N ASP A 51 -8.150 25.128 8.203 1.00 0.00 N ATOM 757 CA ASP A 51 -7.576 26.465 8.299 1.00 0.00 C ATOM 758 C ASP A 51 -6.694 26.590 9.538 1.00 0.00 C ATOM 759 O ASP A 51 -5.671 27.275 9.518 1.00 0.00 O ATOM 760 CB ASP A 51 -8.685 27.518 8.339 1.00 0.00 C ATOM 761 CG ASP A 51 -8.286 28.805 7.645 1.00 0.00 C ATOM 762 OD1 ASP A 51 -7.651 28.728 6.573 1.00 0.00 O ATOM 763 OD2 ASP A 51 -8.608 29.889 8.175 1.00 0.00 O ATOM 0 H ASP A 51 -9.169 25.103 8.235 1.00 0.00 H new ATOM 0 HA ASP A 51 -6.958 26.633 7.417 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -9.581 27.116 7.866 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -8.941 27.732 9.377 1.00 0.00 H new ATOM 768 N PHE A 52 -7.098 25.924 10.615 1.00 0.00 N ATOM 769 CA PHE A 52 -6.345 25.962 11.864 1.00 0.00 C ATOM 770 C PHE A 52 -6.147 27.399 12.336 1.00 0.00 C ATOM 771 O PHE A 52 -5.193 27.703 13.052 1.00 0.00 O ATOM 772 CB PHE A 52 -4.988 25.279 11.687 1.00 0.00 C ATOM 773 CG PHE A 52 -5.057 23.780 11.753 1.00 0.00 C ATOM 774 CD1 PHE A 52 -5.610 23.147 12.855 1.00 0.00 C ATOM 775 CD2 PHE A 52 -4.569 23.004 10.715 1.00 0.00 C ATOM 776 CE1 PHE A 52 -5.676 21.768 12.920 1.00 0.00 C ATOM 777 CE2 PHE A 52 -4.632 21.625 10.773 1.00 0.00 C ATOM 778 CZ PHE A 52 -5.185 21.006 11.878 1.00 0.00 C ATOM 0 H PHE A 52 -7.942 25.352 10.648 1.00 0.00 H new ATOM 0 HA PHE A 52 -6.917 25.426 12.621 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -4.565 25.573 10.726 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -4.307 25.637 12.459 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -5.994 23.739 13.673 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -4.134 23.482 9.850 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -6.111 21.287 13.784 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -4.250 21.031 9.956 1.00 0.00 H new ATOM 0 HZ PHE A 52 -5.233 19.928 11.927 1.00 0.00 H new ATOM 788 N SER A 53 -7.055 28.280 11.928 1.00 0.00 N ATOM 789 CA SER A 53 -6.979 29.687 12.305 1.00 0.00 C ATOM 790 C SER A 53 -8.294 30.157 12.918 1.00 0.00 C ATOM 791 O SER A 53 -8.303 30.935 13.873 1.00 0.00 O ATOM 792 CB SER A 53 -6.635 30.545 11.086 1.00 0.00 C ATOM 793 OG SER A 53 -5.237 30.750 10.984 1.00 0.00 O ATOM 0 H SER A 53 -7.852 28.044 11.336 1.00 0.00 H new ATOM 0 HA SER A 53 -6.192 29.796 13.051 1.00 0.00 H new ATOM 0 HB2 SER A 53 -7.001 30.060 10.181 1.00 0.00 H new ATOM 0 HB3 SER A 53 -7.142 31.507 11.160 1.00 0.00 H new ATOM 0 HG SER A 53 -5.044 31.300 10.196 1.00 0.00 H new ATOM 799 N ARG A 54 -9.403 29.680 12.362 1.00 0.00 N ATOM 800 CA ARG A 54 -10.724 30.052 12.853 1.00 0.00 C ATOM 801 C ARG A 54 -11.069 29.282 14.124 1.00 0.00 C ATOM 802 O ARG A 54 -11.878 29.733 14.935 1.00 0.00 O ATOM 803 CB ARG A 54 -11.783 29.787 11.780 1.00 0.00 C ATOM 804 CG ARG A 54 -11.836 30.856 10.701 1.00 0.00 C ATOM 805 CD ARG A 54 -13.265 31.129 10.257 1.00 0.00 C ATOM 806 NE ARG A 54 -13.454 32.516 9.843 1.00 0.00 N ATOM 807 CZ ARG A 54 -14.473 32.928 9.097 1.00 0.00 C ATOM 808 NH1 ARG A 54 -15.391 32.064 8.687 1.00 0.00 N ATOM 809 NH2 ARG A 54 -14.577 34.208 8.761 1.00 0.00 N ATOM 0 H ARG A 54 -9.413 29.035 11.572 1.00 0.00 H new ATOM 0 HA ARG A 54 -10.711 31.117 13.087 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -11.583 28.822 11.314 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -12.761 29.714 12.256 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -11.388 31.776 11.077 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -11.242 30.539 9.844 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -13.521 30.466 9.430 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -13.949 30.898 11.074 1.00 0.00 H new ATOM 0 HE ARG A 54 -12.766 33.207 10.143 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -15.316 31.080 8.944 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -16.172 32.383 8.114 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -13.874 34.877 9.076 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -15.360 34.523 8.188 1.00 0.00 H new ATOM 823 N CYS A 55 -10.451 28.117 14.290 1.00 0.00 N ATOM 824 CA CYS A 55 -10.694 27.283 15.462 1.00 0.00 C ATOM 825 C CYS A 55 -10.029 27.877 16.699 1.00 0.00 C ATOM 826 O CYS A 55 -8.983 27.402 17.142 1.00 0.00 O ATOM 827 CB CYS A 55 -10.175 25.865 15.220 1.00 0.00 C ATOM 828 SG CYS A 55 -10.459 24.730 16.599 1.00 0.00 S ATOM 0 H CYS A 55 -9.779 27.729 13.628 1.00 0.00 H new ATOM 0 HA CYS A 55 -11.770 27.244 15.634 1.00 0.00 H new ATOM 0 HB2 CYS A 55 -10.653 25.462 14.327 1.00 0.00 H new ATOM 0 HB3 CYS A 55 -9.105 25.911 15.016 1.00 0.00 H new ATOM 0 HG CYS A 55 -11.609 24.991 17.146 1.00 0.00 H new ATOM 834 N ASP A 56 -10.641 28.919 17.251 1.00 0.00 N ATOM 835 CA ASP A 56 -10.108 29.579 18.437 1.00 0.00 C ATOM 836 C ASP A 56 -10.906 29.192 19.678 1.00 0.00 C ATOM 837 O ASP A 56 -10.719 29.765 20.751 1.00 0.00 O ATOM 838 CB ASP A 56 -10.129 31.097 18.255 1.00 0.00 C ATOM 839 CG ASP A 56 -9.358 31.544 17.028 1.00 0.00 C ATOM 840 OD1 ASP A 56 -9.930 31.498 15.918 1.00 0.00 O ATOM 841 OD2 ASP A 56 -8.183 31.939 17.177 1.00 0.00 O ATOM 0 H ASP A 56 -11.507 29.325 16.896 1.00 0.00 H new ATOM 0 HA ASP A 56 -9.077 29.252 18.573 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -11.162 31.436 18.175 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -9.705 31.572 19.140 1.00 0.00 H new ATOM 846 N MET A 57 -11.796 28.218 19.524 1.00 0.00 N ATOM 847 CA MET A 57 -12.622 27.755 20.633 1.00 0.00 C ATOM 848 C MET A 57 -11.797 26.936 21.620 1.00 0.00 C ATOM 849 O MET A 57 -11.144 25.963 21.242 1.00 0.00 O ATOM 850 CB MET A 57 -13.792 26.918 20.111 1.00 0.00 C ATOM 851 CG MET A 57 -13.367 25.793 19.181 1.00 0.00 C ATOM 852 SD MET A 57 -13.738 26.144 17.452 1.00 0.00 S ATOM 853 CE MET A 57 -14.815 24.770 17.051 1.00 0.00 C ATOM 0 H MET A 57 -11.964 27.734 18.642 1.00 0.00 H new ATOM 0 HA MET A 57 -13.013 28.630 21.152 1.00 0.00 H new ATOM 0 HB2 MET A 57 -14.331 26.494 20.958 1.00 0.00 H new ATOM 0 HB3 MET A 57 -14.488 27.570 19.584 1.00 0.00 H new ATOM 0 HG2 MET A 57 -12.296 25.621 19.291 1.00 0.00 H new ATOM 0 HG3 MET A 57 -13.870 24.872 19.477 1.00 0.00 H new ATOM 0 HE1 MET A 57 -15.429 25.028 16.188 1.00 0.00 H new ATOM 0 HE2 MET A 57 -14.213 23.892 16.818 1.00 0.00 H new ATOM 0 HE3 MET A 57 -15.460 24.553 17.902 1.00 0.00 H new ATOM 863 N ASP A 58 -11.829 27.336 22.887 1.00 0.00 N ATOM 864 CA ASP A 58 -11.085 26.638 23.929 1.00 0.00 C ATOM 865 C ASP A 58 -11.734 25.297 24.255 1.00 0.00 C ATOM 866 O ASP A 58 -11.050 24.288 24.418 1.00 0.00 O ATOM 867 CB ASP A 58 -11.002 27.500 25.190 1.00 0.00 C ATOM 868 CG ASP A 58 -12.365 27.772 25.795 1.00 0.00 C ATOM 869 OD1 ASP A 58 -13.061 28.686 25.303 1.00 0.00 O ATOM 870 OD2 ASP A 58 -12.736 27.072 26.760 1.00 0.00 O ATOM 0 H ASP A 58 -12.362 28.140 23.217 1.00 0.00 H new ATOM 0 HA ASP A 58 -10.077 26.452 23.559 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -10.373 27.001 25.927 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -10.519 28.447 24.948 1.00 0.00 H new ATOM 875 N GLY A 59 -13.060 25.295 24.351 1.00 0.00 N ATOM 876 CA GLY A 59 -13.780 24.073 24.660 1.00 0.00 C ATOM 877 C GLY A 59 -15.277 24.289 24.749 1.00 0.00 C ATOM 878 O GLY A 59 -16.042 23.702 23.984 1.00 0.00 O ATOM 0 H GLY A 59 -13.649 26.118 24.220 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -13.569 23.327 23.894 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -13.417 23.670 25.606 1.00 0.00 H new ATOM 882 N ALA A 60 -15.697 25.131 25.687 1.00 0.00 N ATOM 883 CA ALA A 60 -17.113 25.423 25.873 1.00 0.00 C ATOM 884 C ALA A 60 -17.753 25.891 24.571 1.00 0.00 C ATOM 885 O ALA A 60 -18.942 25.669 24.335 1.00 0.00 O ATOM 886 CB ALA A 60 -17.298 26.471 26.961 1.00 0.00 C ATOM 0 H ALA A 60 -15.077 25.623 26.330 1.00 0.00 H new ATOM 0 HA ALA A 60 -17.610 24.503 26.182 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -18.360 26.679 27.089 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -16.886 26.099 27.899 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -16.781 27.387 26.676 1.00 0.00 H new ATOM 892 N THR A 61 -16.959 26.542 23.726 1.00 0.00 N ATOM 893 CA THR A 61 -17.448 27.043 22.448 1.00 0.00 C ATOM 894 C THR A 61 -17.512 25.929 21.409 1.00 0.00 C ATOM 895 O THR A 61 -18.291 25.998 20.457 1.00 0.00 O ATOM 896 CB THR A 61 -16.558 28.179 21.912 1.00 0.00 C ATOM 897 OG1 THR A 61 -16.556 29.276 22.833 1.00 0.00 O ATOM 898 CG2 THR A 61 -17.046 28.654 20.552 1.00 0.00 C ATOM 0 H THR A 61 -15.973 26.734 23.905 1.00 0.00 H new ATOM 0 HA THR A 61 -18.452 27.430 22.624 1.00 0.00 H new ATOM 0 HB THR A 61 -15.544 27.795 21.802 1.00 0.00 H new ATOM 0 HG1 THR A 61 -15.986 29.994 22.486 1.00 0.00 H new ATOM 0 HG21 THR A 61 -16.401 29.457 20.194 1.00 0.00 H new ATOM 0 HG22 THR A 61 -17.019 27.824 19.846 1.00 0.00 H new ATOM 0 HG23 THR A 61 -18.068 29.022 20.640 1.00 0.00 H new ATOM 906 N LEU A 62 -16.690 24.903 21.597 1.00 0.00 N ATOM 907 CA LEU A 62 -16.653 23.773 20.676 1.00 0.00 C ATOM 908 C LEU A 62 -17.925 22.937 20.788 1.00 0.00 C ATOM 909 O LEU A 62 -18.541 22.588 19.780 1.00 0.00 O ATOM 910 CB LEU A 62 -15.429 22.900 20.957 1.00 0.00 C ATOM 911 CG LEU A 62 -15.345 21.590 20.172 1.00 0.00 C ATOM 912 CD1 LEU A 62 -15.287 21.865 18.678 1.00 0.00 C ATOM 913 CD2 LEU A 62 -14.135 20.780 20.615 1.00 0.00 C ATOM 0 H LEU A 62 -16.040 24.830 22.379 1.00 0.00 H new ATOM 0 HA LEU A 62 -16.586 24.165 19.661 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -14.534 23.485 20.746 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -15.412 22.665 22.021 1.00 0.00 H new ATOM 0 HG LEU A 62 -16.243 21.007 20.378 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -15.228 20.921 18.136 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -16.184 22.403 18.372 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -14.408 22.468 18.453 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -14.091 19.851 20.046 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -13.227 21.357 20.439 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -14.220 20.551 21.677 1.00 0.00 H new ATOM 925 N CYS A 63 -18.313 22.623 22.019 1.00 0.00 N ATOM 926 CA CYS A 63 -19.512 21.829 22.263 1.00 0.00 C ATOM 927 C CYS A 63 -20.766 22.604 21.869 1.00 0.00 C ATOM 928 O CYS A 63 -21.804 22.014 21.575 1.00 0.00 O ATOM 929 CB CYS A 63 -19.590 21.425 23.736 1.00 0.00 C ATOM 930 SG CYS A 63 -19.970 22.791 24.858 1.00 0.00 S ATOM 0 H CYS A 63 -17.815 22.906 22.863 1.00 0.00 H new ATOM 0 HA CYS A 63 -19.454 20.930 21.650 1.00 0.00 H new ATOM 0 HB2 CYS A 63 -20.351 20.653 23.850 1.00 0.00 H new ATOM 0 HB3 CYS A 63 -18.639 20.981 24.031 1.00 0.00 H new ATOM 0 HG CYS A 63 -19.422 23.883 24.414 1.00 0.00 H new ATOM 936 N ASN A 64 -20.660 23.929 21.866 1.00 0.00 N ATOM 937 CA ASN A 64 -21.787 24.784 21.510 1.00 0.00 C ATOM 938 C ASN A 64 -21.846 25.005 20.002 1.00 0.00 C ATOM 939 O ASN A 64 -22.912 25.269 19.445 1.00 0.00 O ATOM 940 CB ASN A 64 -21.679 26.130 22.231 1.00 0.00 C ATOM 941 CG ASN A 64 -22.371 26.120 23.580 1.00 0.00 C ATOM 942 OD1 ASN A 64 -23.547 25.773 23.685 1.00 0.00 O ATOM 943 ND2 ASN A 64 -21.640 26.502 24.622 1.00 0.00 N ATOM 0 H ASN A 64 -19.806 24.433 22.106 1.00 0.00 H new ATOM 0 HA ASN A 64 -22.704 24.285 21.822 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -20.628 26.383 22.367 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -22.116 26.909 21.607 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -22.051 26.516 25.556 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -20.668 26.782 24.488 1.00 0.00 H new ATOM 950 N CYS A 65 -20.696 24.895 19.348 1.00 0.00 N ATOM 951 CA CYS A 65 -20.616 25.083 17.903 1.00 0.00 C ATOM 952 C CYS A 65 -21.643 24.214 17.185 1.00 0.00 C ATOM 953 O CYS A 65 -22.237 23.316 17.781 1.00 0.00 O ATOM 954 CB CYS A 65 -19.210 24.753 17.402 1.00 0.00 C ATOM 955 SG CYS A 65 -18.236 26.201 16.929 1.00 0.00 S ATOM 0 H CYS A 65 -19.805 24.677 19.795 1.00 0.00 H new ATOM 0 HA CYS A 65 -20.835 26.128 17.684 1.00 0.00 H new ATOM 0 HB2 CYS A 65 -18.677 24.209 18.181 1.00 0.00 H new ATOM 0 HB3 CYS A 65 -19.289 24.086 16.544 1.00 0.00 H new ATOM 0 HG CYS A 65 -18.969 27.002 16.213 1.00 0.00 H new ATOM 961 N ALA A 66 -21.848 24.489 15.901 1.00 0.00 N ATOM 962 CA ALA A 66 -22.803 23.732 15.101 1.00 0.00 C ATOM 963 C ALA A 66 -22.089 22.773 14.155 1.00 0.00 C ATOM 964 O ALA A 66 -20.905 22.943 13.859 1.00 0.00 O ATOM 965 CB ALA A 66 -23.701 24.678 14.317 1.00 0.00 C ATOM 0 H ALA A 66 -21.366 25.230 15.393 1.00 0.00 H new ATOM 0 HA ALA A 66 -23.419 23.141 15.779 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -24.409 24.099 13.724 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -24.246 25.320 15.009 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -23.092 25.294 13.655 1.00 0.00 H new ATOM 971 N LEU A 67 -22.813 21.763 13.686 1.00 0.00 N ATOM 972 CA LEU A 67 -22.248 20.775 12.774 1.00 0.00 C ATOM 973 C LEU A 67 -21.600 21.452 11.570 1.00 0.00 C ATOM 974 O LEU A 67 -20.402 21.303 11.333 1.00 0.00 O ATOM 975 CB LEU A 67 -23.334 19.805 12.304 1.00 0.00 C ATOM 976 CG LEU A 67 -22.999 18.970 11.068 1.00 0.00 C ATOM 977 CD1 LEU A 67 -21.668 18.257 11.250 1.00 0.00 C ATOM 978 CD2 LEU A 67 -24.109 17.969 10.784 1.00 0.00 C ATOM 0 H LEU A 67 -23.793 21.607 13.922 1.00 0.00 H new ATOM 0 HA LEU A 67 -21.480 20.219 13.312 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -23.566 19.126 13.124 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -24.239 20.377 12.097 1.00 0.00 H new ATOM 0 HG LEU A 67 -22.914 19.640 10.212 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -21.446 17.668 10.360 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -20.879 18.993 11.404 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -21.724 17.598 12.117 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -23.854 17.383 9.901 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -24.226 17.304 11.639 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -25.043 18.502 10.608 1.00 0.00 H new ATOM 990 N GLU A 68 -22.400 22.199 10.816 1.00 0.00 N ATOM 991 CA GLU A 68 -21.903 22.900 9.638 1.00 0.00 C ATOM 992 C GLU A 68 -20.673 23.736 9.981 1.00 0.00 C ATOM 993 O GLU A 68 -19.724 23.810 9.202 1.00 0.00 O ATOM 994 CB GLU A 68 -22.996 23.798 9.053 1.00 0.00 C ATOM 995 CG GLU A 68 -24.261 23.048 8.674 1.00 0.00 C ATOM 996 CD GLU A 68 -25.179 23.864 7.784 1.00 0.00 C ATOM 997 OE1 GLU A 68 -24.759 24.212 6.661 1.00 0.00 O ATOM 998 OE2 GLU A 68 -26.316 24.154 8.211 1.00 0.00 O ATOM 0 H GLU A 68 -23.394 22.334 11.000 1.00 0.00 H new ATOM 0 HA GLU A 68 -21.619 22.154 8.896 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -23.246 24.572 9.779 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -22.605 24.304 8.170 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -23.992 22.124 8.162 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -24.797 22.765 9.580 1.00 0.00 H new ATOM 1005 N GLU A 69 -20.699 24.363 11.153 1.00 0.00 N ATOM 1006 CA GLU A 69 -19.587 25.194 11.598 1.00 0.00 C ATOM 1007 C GLU A 69 -18.280 24.407 11.585 1.00 0.00 C ATOM 1008 O GLU A 69 -17.297 24.823 10.971 1.00 0.00 O ATOM 1009 CB GLU A 69 -19.856 25.735 13.004 1.00 0.00 C ATOM 1010 CG GLU A 69 -20.188 27.217 13.033 1.00 0.00 C ATOM 1011 CD GLU A 69 -21.061 27.596 14.214 1.00 0.00 C ATOM 1012 OE1 GLU A 69 -20.528 27.690 15.339 1.00 0.00 O ATOM 1013 OE2 GLU A 69 -22.277 27.798 14.012 1.00 0.00 O ATOM 0 H GLU A 69 -21.477 24.311 11.810 1.00 0.00 H new ATOM 0 HA GLU A 69 -19.493 26.031 10.906 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -20.682 25.178 13.447 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -18.980 25.555 13.627 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -19.263 27.792 13.070 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -20.696 27.490 12.108 1.00 0.00 H new ATOM 1020 N LEU A 70 -18.276 23.267 12.268 1.00 0.00 N ATOM 1021 CA LEU A 70 -17.091 22.420 12.337 1.00 0.00 C ATOM 1022 C LEU A 70 -16.652 21.983 10.943 1.00 0.00 C ATOM 1023 O LEU A 70 -15.478 21.693 10.713 1.00 0.00 O ATOM 1024 CB LEU A 70 -17.366 21.192 13.206 1.00 0.00 C ATOM 1025 CG LEU A 70 -17.966 21.467 14.586 1.00 0.00 C ATOM 1026 CD1 LEU A 70 -18.386 20.168 15.254 1.00 0.00 C ATOM 1027 CD2 LEU A 70 -16.972 22.221 15.458 1.00 0.00 C ATOM 0 H LEU A 70 -19.081 22.908 12.782 1.00 0.00 H new ATOM 0 HA LEU A 70 -16.286 23.001 12.786 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -18.042 20.531 12.663 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -16.430 20.650 13.340 1.00 0.00 H new ATOM 0 HG LEU A 70 -18.852 22.088 14.459 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -18.810 20.384 16.235 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -19.132 19.667 14.638 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -17.517 19.521 15.369 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -17.415 22.408 16.436 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -16.067 21.625 15.578 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -16.721 23.171 14.986 1.00 0.00 H new ATOM 1039 N ARG A 71 -17.604 21.939 10.016 1.00 0.00 N ATOM 1040 CA ARG A 71 -17.316 21.538 8.644 1.00 0.00 C ATOM 1041 C ARG A 71 -16.707 22.695 7.856 1.00 0.00 C ATOM 1042 O ARG A 71 -16.048 22.486 6.837 1.00 0.00 O ATOM 1043 CB ARG A 71 -18.591 21.052 7.954 1.00 0.00 C ATOM 1044 CG ARG A 71 -19.217 19.836 8.617 1.00 0.00 C ATOM 1045 CD ARG A 71 -20.671 19.664 8.207 1.00 0.00 C ATOM 1046 NE ARG A 71 -20.956 18.306 7.753 1.00 0.00 N ATOM 1047 CZ ARG A 71 -22.149 17.908 7.327 1.00 0.00 C ATOM 1048 NH1 ARG A 71 -23.164 18.761 7.296 1.00 0.00 N ATOM 1049 NH2 ARG A 71 -22.330 16.655 6.929 1.00 0.00 N ATOM 0 H ARG A 71 -18.581 22.176 10.190 1.00 0.00 H new ATOM 0 HA ARG A 71 -16.594 20.722 8.674 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -19.319 21.863 7.941 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -18.363 20.812 6.915 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -18.654 18.943 8.347 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -19.153 19.938 9.700 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -21.316 19.907 9.051 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -20.909 20.369 7.411 1.00 0.00 H new ATOM 0 HE ARG A 71 -20.197 17.625 7.764 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -23.029 19.725 7.600 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -24.079 18.453 6.968 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -21.552 15.996 6.950 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -23.247 16.351 6.602 1.00 0.00 H new ATOM 1063 N LEU A 72 -16.934 23.913 8.334 1.00 0.00 N ATOM 1064 CA LEU A 72 -16.409 25.104 7.674 1.00 0.00 C ATOM 1065 C LEU A 72 -15.056 25.499 8.259 1.00 0.00 C ATOM 1066 O LEU A 72 -14.309 26.269 7.657 1.00 0.00 O ATOM 1067 CB LEU A 72 -17.395 26.264 7.812 1.00 0.00 C ATOM 1068 CG LEU A 72 -18.296 26.526 6.604 1.00 0.00 C ATOM 1069 CD1 LEU A 72 -19.571 25.702 6.700 1.00 0.00 C ATOM 1070 CD2 LEU A 72 -18.624 28.008 6.495 1.00 0.00 C ATOM 0 H LEU A 72 -17.478 24.103 9.176 1.00 0.00 H new ATOM 0 HA LEU A 72 -16.274 24.874 6.617 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -18.029 26.075 8.679 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -16.830 27.172 8.022 1.00 0.00 H new ATOM 0 HG LEU A 72 -17.760 26.225 5.704 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -20.199 25.902 5.832 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -19.318 24.642 6.729 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -20.111 25.971 7.608 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -19.266 28.176 5.630 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -19.140 28.334 7.398 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -17.702 28.577 6.378 1.00 0.00 H new ATOM 1082 N VAL A 73 -14.747 24.963 9.436 1.00 0.00 N ATOM 1083 CA VAL A 73 -13.484 25.257 10.101 1.00 0.00 C ATOM 1084 C VAL A 73 -12.487 24.119 9.914 1.00 0.00 C ATOM 1085 O VAL A 73 -11.275 24.335 9.913 1.00 0.00 O ATOM 1086 CB VAL A 73 -13.687 25.505 11.607 1.00 0.00 C ATOM 1087 CG1 VAL A 73 -12.365 25.855 12.274 1.00 0.00 C ATOM 1088 CG2 VAL A 73 -14.714 26.604 11.832 1.00 0.00 C ATOM 0 H VAL A 73 -15.354 24.323 9.948 1.00 0.00 H new ATOM 0 HA VAL A 73 -13.088 26.163 9.642 1.00 0.00 H new ATOM 0 HB VAL A 73 -14.064 24.588 12.061 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -12.528 26.027 13.338 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -11.662 25.032 12.143 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -11.956 26.757 11.819 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -14.845 26.766 12.902 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -14.368 27.526 11.365 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -15.666 26.308 11.391 1.00 0.00 H new ATOM 1098 N PHE A 74 -13.005 22.905 9.757 1.00 0.00 N ATOM 1099 CA PHE A 74 -12.161 21.732 9.569 1.00 0.00 C ATOM 1100 C PHE A 74 -12.473 21.043 8.244 1.00 0.00 C ATOM 1101 O PHE A 74 -12.221 19.850 8.077 1.00 0.00 O ATOM 1102 CB PHE A 74 -12.353 20.749 10.726 1.00 0.00 C ATOM 1103 CG PHE A 74 -12.450 21.415 12.069 1.00 0.00 C ATOM 1104 CD1 PHE A 74 -11.422 22.221 12.532 1.00 0.00 C ATOM 1105 CD2 PHE A 74 -13.568 21.235 12.867 1.00 0.00 C ATOM 1106 CE1 PHE A 74 -11.508 22.834 13.768 1.00 0.00 C ATOM 1107 CE2 PHE A 74 -13.659 21.846 14.104 1.00 0.00 C ATOM 1108 CZ PHE A 74 -12.629 22.648 14.554 1.00 0.00 C ATOM 0 H PHE A 74 -14.006 22.709 9.756 1.00 0.00 H new ATOM 0 HA PHE A 74 -11.122 22.062 9.550 1.00 0.00 H new ATOM 0 HB2 PHE A 74 -13.258 20.167 10.552 1.00 0.00 H new ATOM 0 HB3 PHE A 74 -11.520 20.046 10.737 1.00 0.00 H new ATOM 0 HD1 PHE A 74 -10.545 22.372 11.921 1.00 0.00 H new ATOM 0 HD2 PHE A 74 -14.378 20.610 12.519 1.00 0.00 H new ATOM 0 HE1 PHE A 74 -10.699 23.458 14.119 1.00 0.00 H new ATOM 0 HE2 PHE A 74 -14.535 21.696 14.718 1.00 0.00 H new ATOM 0 HZ PHE A 74 -12.699 23.129 15.518 1.00 0.00 H new ATOM 1118 N GLY A 75 -13.025 21.804 7.304 1.00 0.00 N ATOM 1119 CA GLY A 75 -13.364 21.250 6.006 1.00 0.00 C ATOM 1120 C GLY A 75 -14.354 20.106 6.104 1.00 0.00 C ATOM 1121 O GLY A 75 -15.185 20.053 7.010 1.00 0.00 O ATOM 0 H GLY A 75 -13.243 22.794 7.418 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -13.783 22.036 5.377 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -12.456 20.899 5.516 1.00 0.00 H new ATOM 1125 N PRO A 76 -14.272 19.164 5.152 1.00 0.00 N ATOM 1126 CA PRO A 76 -15.161 18.000 5.113 1.00 0.00 C ATOM 1127 C PRO A 76 -14.881 17.018 6.246 1.00 0.00 C ATOM 1128 O PRO A 76 -15.617 16.049 6.438 1.00 0.00 O ATOM 1129 CB PRO A 76 -14.845 17.358 3.760 1.00 0.00 C ATOM 1130 CG PRO A 76 -13.452 17.789 3.452 1.00 0.00 C ATOM 1131 CD PRO A 76 -13.304 19.164 4.042 1.00 0.00 C ATOM 0 HA PRO A 76 -16.207 18.282 5.233 1.00 0.00 H new ATOM 0 HB2 PRO A 76 -14.921 16.272 3.810 1.00 0.00 H new ATOM 0 HB3 PRO A 76 -15.542 17.692 2.991 1.00 0.00 H new ATOM 0 HG2 PRO A 76 -12.726 17.099 3.883 1.00 0.00 H new ATOM 0 HG3 PRO A 76 -13.277 17.805 2.376 1.00 0.00 H new ATOM 0 HD2 PRO A 76 -12.288 19.343 4.394 1.00 0.00 H new ATOM 0 HD3 PRO A 76 -13.530 19.941 3.312 1.00 0.00 H new ATOM 1139 N LEU A 77 -13.814 17.275 6.995 1.00 0.00 N ATOM 1140 CA LEU A 77 -13.437 16.414 8.111 1.00 0.00 C ATOM 1141 C LEU A 77 -14.367 16.627 9.301 1.00 0.00 C ATOM 1142 O LEU A 77 -14.541 15.738 10.133 1.00 0.00 O ATOM 1143 CB LEU A 77 -11.990 16.687 8.525 1.00 0.00 C ATOM 1144 CG LEU A 77 -11.426 15.786 9.624 1.00 0.00 C ATOM 1145 CD1 LEU A 77 -11.630 14.321 9.271 1.00 0.00 C ATOM 1146 CD2 LEU A 77 -9.950 16.081 9.850 1.00 0.00 C ATOM 0 H LEU A 77 -13.195 18.072 6.850 1.00 0.00 H new ATOM 0 HA LEU A 77 -13.526 15.378 7.785 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -11.356 16.591 7.643 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -11.918 17.722 8.858 1.00 0.00 H new ATOM 0 HG LEU A 77 -11.964 15.994 10.549 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -11.222 13.695 10.065 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -12.695 14.118 9.160 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -11.119 14.098 8.334 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -9.565 15.431 10.635 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -9.398 15.902 8.927 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -9.829 17.122 10.149 1.00 0.00 H new ATOM 1158 N GLY A 78 -14.965 17.813 9.374 1.00 0.00 N ATOM 1159 CA GLY A 78 -15.872 18.121 10.465 1.00 0.00 C ATOM 1160 C GLY A 78 -16.948 17.068 10.638 1.00 0.00 C ATOM 1161 O GLY A 78 -17.301 16.711 11.762 1.00 0.00 O ATOM 0 H GLY A 78 -14.837 18.566 8.697 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -15.304 18.212 11.391 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -16.340 19.088 10.282 1.00 0.00 H new ATOM 1165 N ASP A 79 -17.473 16.572 9.523 1.00 0.00 N ATOM 1166 CA ASP A 79 -18.517 15.554 9.557 1.00 0.00 C ATOM 1167 C ASP A 79 -18.095 14.371 10.423 1.00 0.00 C ATOM 1168 O ASP A 79 -18.934 13.696 11.019 1.00 0.00 O ATOM 1169 CB ASP A 79 -18.838 15.075 8.140 1.00 0.00 C ATOM 1170 CG ASP A 79 -19.781 13.888 8.130 1.00 0.00 C ATOM 1171 OD1 ASP A 79 -19.303 12.750 8.316 1.00 0.00 O ATOM 1172 OD2 ASP A 79 -20.997 14.098 7.934 1.00 0.00 O ATOM 0 H ASP A 79 -17.193 16.858 8.585 1.00 0.00 H new ATOM 0 HA ASP A 79 -19.411 16.000 9.993 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -19.283 15.894 7.575 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -17.912 14.804 7.633 1.00 0.00 H new ATOM 1177 N GLN A 80 -16.790 14.126 10.486 1.00 0.00 N ATOM 1178 CA GLN A 80 -16.258 13.024 11.278 1.00 0.00 C ATOM 1179 C GLN A 80 -15.996 13.462 12.715 1.00 0.00 C ATOM 1180 O GLN A 80 -16.140 12.675 13.652 1.00 0.00 O ATOM 1181 CB GLN A 80 -14.967 12.494 10.651 1.00 0.00 C ATOM 1182 CG GLN A 80 -15.189 11.738 9.350 1.00 0.00 C ATOM 1183 CD GLN A 80 -16.220 10.635 9.484 1.00 0.00 C ATOM 1184 OE1 GLN A 80 -16.148 9.809 10.395 1.00 0.00 O ATOM 1185 NE2 GLN A 80 -17.188 10.615 8.575 1.00 0.00 N ATOM 0 H GLN A 80 -16.082 14.676 9.998 1.00 0.00 H new ATOM 0 HA GLN A 80 -17.002 12.227 11.290 1.00 0.00 H new ATOM 0 HB2 GLN A 80 -14.293 13.330 10.465 1.00 0.00 H new ATOM 0 HB3 GLN A 80 -14.470 11.836 11.364 1.00 0.00 H new ATOM 0 HG2 GLN A 80 -15.509 12.438 8.578 1.00 0.00 H new ATOM 0 HG3 GLN A 80 -14.244 11.308 9.018 1.00 0.00 H new ATOM 0 HE21 GLN A 80 -17.209 11.319 7.837 1.00 0.00 H new ATOM 0 HE22 GLN A 80 -17.910 9.896 8.615 1.00 0.00 H new ATOM 1194 N LEU A 81 -15.610 14.722 12.883 1.00 0.00 N ATOM 1195 CA LEU A 81 -15.327 15.266 14.206 1.00 0.00 C ATOM 1196 C LEU A 81 -16.607 15.402 15.024 1.00 0.00 C ATOM 1197 O LEU A 81 -16.676 14.953 16.168 1.00 0.00 O ATOM 1198 CB LEU A 81 -14.639 16.627 14.084 1.00 0.00 C ATOM 1199 CG LEU A 81 -13.335 16.651 13.285 1.00 0.00 C ATOM 1200 CD1 LEU A 81 -12.747 18.054 13.265 1.00 0.00 C ATOM 1201 CD2 LEU A 81 -12.337 15.660 13.865 1.00 0.00 C ATOM 0 H LEU A 81 -15.486 15.386 12.119 1.00 0.00 H new ATOM 0 HA LEU A 81 -14.660 14.574 14.721 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -15.338 17.325 13.622 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -14.434 16.999 15.088 1.00 0.00 H new ATOM 0 HG LEU A 81 -13.554 16.357 12.259 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -11.820 18.052 12.692 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -13.457 18.740 12.803 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -12.542 18.377 14.286 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -11.415 15.690 13.284 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -12.122 15.924 14.901 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -12.758 14.655 13.826 1.00 0.00 H new ATOM 1213 N HIS A 82 -17.620 16.024 14.429 1.00 0.00 N ATOM 1214 CA HIS A 82 -18.900 16.217 15.101 1.00 0.00 C ATOM 1215 C HIS A 82 -19.429 14.896 15.651 1.00 0.00 C ATOM 1216 O HIS A 82 -19.892 14.827 16.789 1.00 0.00 O ATOM 1217 CB HIS A 82 -19.919 16.827 14.139 1.00 0.00 C ATOM 1218 CG HIS A 82 -21.266 17.050 14.755 1.00 0.00 C ATOM 1219 ND1 HIS A 82 -22.373 16.290 14.440 1.00 0.00 N ATOM 1220 CD2 HIS A 82 -21.681 17.954 15.673 1.00 0.00 C ATOM 1221 CE1 HIS A 82 -23.410 16.717 15.137 1.00 0.00 C ATOM 1222 NE2 HIS A 82 -23.017 17.726 15.893 1.00 0.00 N ATOM 0 H HIS A 82 -17.579 16.403 13.483 1.00 0.00 H new ATOM 0 HA HIS A 82 -18.745 16.902 15.935 1.00 0.00 H new ATOM 0 HB2 HIS A 82 -19.535 17.778 13.771 1.00 0.00 H new ATOM 0 HB3 HIS A 82 -20.028 16.172 13.275 1.00 0.00 H new ATOM 0 HD2 HIS A 82 -21.074 18.713 16.144 1.00 0.00 H new ATOM 0 HE1 HIS A 82 -24.410 16.310 15.096 1.00 0.00 H new ATOM 0 HE2 HIS A 82 -23.610 18.251 16.536 1.00 0.00 H new ATOM 1230 N ALA A 83 -19.359 13.850 14.834 1.00 0.00 N ATOM 1231 CA ALA A 83 -19.829 12.531 15.239 1.00 0.00 C ATOM 1232 C ALA A 83 -19.220 12.116 16.574 1.00 0.00 C ATOM 1233 O ALA A 83 -19.918 11.618 17.456 1.00 0.00 O ATOM 1234 CB ALA A 83 -19.504 11.502 14.166 1.00 0.00 C ATOM 0 H ALA A 83 -18.981 13.891 13.887 1.00 0.00 H new ATOM 0 HA ALA A 83 -20.911 12.581 15.363 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -19.861 10.522 14.482 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -19.993 11.783 13.233 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -18.425 11.464 14.013 1.00 0.00 H new ATOM 1240 N GLN A 84 -17.915 12.326 16.714 1.00 0.00 N ATOM 1241 CA GLN A 84 -17.212 11.972 17.941 1.00 0.00 C ATOM 1242 C GLN A 84 -17.662 12.855 19.100 1.00 0.00 C ATOM 1243 O GLN A 84 -18.041 12.358 20.162 1.00 0.00 O ATOM 1244 CB GLN A 84 -15.700 12.100 17.744 1.00 0.00 C ATOM 1245 CG GLN A 84 -15.092 10.961 16.942 1.00 0.00 C ATOM 1246 CD GLN A 84 -14.550 9.852 17.822 1.00 0.00 C ATOM 1247 OE1 GLN A 84 -14.998 8.708 17.746 1.00 0.00 O ATOM 1248 NE2 GLN A 84 -13.579 10.186 18.664 1.00 0.00 N ATOM 0 H GLN A 84 -17.324 12.739 15.993 1.00 0.00 H new ATOM 0 HA GLN A 84 -17.453 10.937 18.182 1.00 0.00 H new ATOM 0 HB2 GLN A 84 -15.486 13.043 17.240 1.00 0.00 H new ATOM 0 HB3 GLN A 84 -15.217 12.144 18.720 1.00 0.00 H new ATOM 0 HG2 GLN A 84 -15.847 10.551 16.271 1.00 0.00 H new ATOM 0 HG3 GLN A 84 -14.288 11.350 16.318 1.00 0.00 H new ATOM 0 HE21 GLN A 84 -13.238 11.147 18.694 1.00 0.00 H new ATOM 0 HE22 GLN A 84 -13.174 9.482 19.281 1.00 0.00 H new ATOM 1257 N LEU A 85 -17.618 14.165 18.890 1.00 0.00 N ATOM 1258 CA LEU A 85 -18.022 15.119 19.918 1.00 0.00 C ATOM 1259 C LEU A 85 -19.435 14.823 20.411 1.00 0.00 C ATOM 1260 O LEU A 85 -19.766 15.079 21.569 1.00 0.00 O ATOM 1261 CB LEU A 85 -17.947 16.547 19.375 1.00 0.00 C ATOM 1262 CG LEU A 85 -16.609 17.264 19.553 1.00 0.00 C ATOM 1263 CD1 LEU A 85 -16.597 18.572 18.777 1.00 0.00 C ATOM 1264 CD2 LEU A 85 -16.329 17.513 21.028 1.00 0.00 C ATOM 0 H LEU A 85 -17.307 14.592 18.018 1.00 0.00 H new ATOM 0 HA LEU A 85 -17.336 15.021 20.759 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -18.185 16.523 18.311 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -18.722 17.140 19.861 1.00 0.00 H new ATOM 0 HG LEU A 85 -15.820 16.624 19.158 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -15.637 19.069 18.916 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -16.750 18.368 17.717 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -17.396 19.218 19.141 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -15.372 18.024 21.135 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -17.121 18.132 21.449 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -16.293 16.561 21.557 1.00 0.00 H new ATOM 1276 N ARG A 86 -20.263 14.280 19.525 1.00 0.00 N ATOM 1277 CA ARG A 86 -21.640 13.948 19.870 1.00 0.00 C ATOM 1278 C ARG A 86 -21.686 12.841 20.918 1.00 0.00 C ATOM 1279 O ARG A 86 -22.633 12.751 21.700 1.00 0.00 O ATOM 1280 CB ARG A 86 -22.411 13.516 18.621 1.00 0.00 C ATOM 1281 CG ARG A 86 -23.090 14.666 17.895 1.00 0.00 C ATOM 1282 CD ARG A 86 -24.425 14.241 17.304 1.00 0.00 C ATOM 1283 NE ARG A 86 -25.464 15.244 17.521 1.00 0.00 N ATOM 1284 CZ ARG A 86 -26.121 15.386 18.666 1.00 0.00 C ATOM 1285 NH1 ARG A 86 -25.849 14.593 19.693 1.00 0.00 N ATOM 1286 NH2 ARG A 86 -27.053 16.323 18.786 1.00 0.00 N ATOM 0 H ARG A 86 -20.004 14.061 18.563 1.00 0.00 H new ATOM 0 HA ARG A 86 -22.109 14.839 20.288 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -21.725 13.019 17.935 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -23.165 12.782 18.906 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -23.244 15.494 18.587 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -22.439 15.031 17.101 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -24.308 14.065 16.235 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -24.735 13.296 17.750 1.00 0.00 H new ATOM 0 HE ARG A 86 -25.698 15.870 16.750 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -25.133 13.872 19.605 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -26.355 14.704 20.571 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -27.265 16.935 17.998 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -27.557 16.431 19.666 1.00 0.00 H new ATOM 1300 N ASP A 87 -20.658 12.000 20.928 1.00 0.00 N ATOM 1301 CA ASP A 87 -20.581 10.898 21.881 1.00 0.00 C ATOM 1302 C ASP A 87 -19.937 11.353 23.187 1.00 0.00 C ATOM 1303 O ASP A 87 -20.298 10.883 24.266 1.00 0.00 O ATOM 1304 CB ASP A 87 -19.786 9.735 21.284 1.00 0.00 C ATOM 1305 CG ASP A 87 -20.666 8.550 20.939 1.00 0.00 C ATOM 1306 OD1 ASP A 87 -21.323 8.588 19.878 1.00 0.00 O ATOM 1307 OD2 ASP A 87 -20.699 7.584 21.731 1.00 0.00 O ATOM 0 H ASP A 87 -19.866 12.060 20.287 1.00 0.00 H new ATOM 0 HA ASP A 87 -21.596 10.563 22.095 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -19.270 10.074 20.386 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -19.020 9.421 21.993 1.00 0.00 H new ATOM 1312 N LEU A 88 -18.981 12.270 23.081 1.00 0.00 N ATOM 1313 CA LEU A 88 -18.286 12.789 24.254 1.00 0.00 C ATOM 1314 C LEU A 88 -19.240 13.567 25.153 1.00 0.00 C ATOM 1315 O LEU A 88 -19.276 13.361 26.367 1.00 0.00 O ATOM 1316 CB LEU A 88 -17.123 13.686 23.826 1.00 0.00 C ATOM 1317 CG LEU A 88 -15.977 12.994 23.087 1.00 0.00 C ATOM 1318 CD1 LEU A 88 -14.982 14.019 22.566 1.00 0.00 C ATOM 1319 CD2 LEU A 88 -15.285 11.990 23.998 1.00 0.00 C ATOM 0 H LEU A 88 -18.670 12.669 22.195 1.00 0.00 H new ATOM 0 HA LEU A 88 -17.895 11.942 24.818 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -17.516 14.476 23.186 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -16.716 14.168 24.715 1.00 0.00 H new ATOM 0 HG LEU A 88 -16.392 12.456 22.235 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -14.174 13.508 22.043 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -15.486 14.699 21.879 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -14.572 14.586 23.402 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -14.472 11.507 23.456 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -14.883 12.506 24.870 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -16.003 11.237 24.322 1.00 0.00 H new