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 -168:sc= 0.0107 USER MOD Set 1.2: A 39 GLN : amide:sc= -2.93 K(o=-4,f=-5.4!) USER MOD Set 1.3: A 84 GLN : amide:sc= -1.11 K(o=-4,f=-4.9) USER MOD Set 2.1: A 57 MET CE :methyl -169:sc= 0 (180deg=-0.201) USER MOD Set 2.2: A 65 CYS SG : rot -160:sc= -0.299 USER MOD Set 3.1: A 25 GLN : amide:sc= -0.203 K(o=0.038,f=-1.1) USER MOD Set 3.2: A 63 CYS SG : rot -21:sc= 0.278 USER MOD Set 3.3: A 64 ASN : amide:sc= -0.0375 K(o=0.038,f=-1.5!) USER MOD Set 4.1: A 28 SER OG : rot 77:sc= 1.13 USER MOD Set 4.2: A 31 GLN : amide:sc= -1.22 X(o=-0.086,f=-0.23) USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 23 GLN : amide:sc= 0 K(o=0,f=-0.84) 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 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 ASN : amide:sc= 1.13 K(o=1.1,f=-0.024) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 TYR OH : rot -30:sc= -1.51 USER MOD Single : A 48 SER OG : rot -39:sc= 1.1 USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 55 CYS SG : rot 54:sc= 0.24 USER MOD Single : A 61 THR OG1 : rot 180:sc= 0 USER MOD Single : A 80 GLN : amide:sc= -0.389 X(o=-0.39,f=-0.39) USER MOD Single : A 82 HIS : no HD1:sc= -1.23 X(o=-1.2,f=-0.88) USER MOD ----------------------------------------------------------------- ATOM 203 N ALA A 17 -3.488 11.775 26.794 1.00 0.00 N ATOM 204 CA ALA A 17 -3.987 12.871 25.972 1.00 0.00 C ATOM 205 C ALA A 17 -4.335 14.084 26.827 1.00 0.00 C ATOM 206 O ALA A 17 -4.960 13.955 27.880 1.00 0.00 O ATOM 207 CB ALA A 17 -5.201 12.420 25.173 1.00 0.00 C ATOM 0 HA ALA A 17 -3.197 13.162 25.280 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -5.564 13.248 24.564 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -4.922 11.588 24.526 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -5.988 12.100 25.856 1.00 0.00 H new ATOM 213 N SER A 18 -3.925 15.263 26.368 1.00 0.00 N ATOM 214 CA SER A 18 -4.190 16.499 27.094 1.00 0.00 C ATOM 215 C SER A 18 -5.691 16.738 27.231 1.00 0.00 C ATOM 216 O SER A 18 -6.132 17.511 28.082 1.00 0.00 O ATOM 217 CB SER A 18 -3.537 17.684 26.381 1.00 0.00 C ATOM 218 OG SER A 18 -2.131 17.521 26.304 1.00 0.00 O ATOM 0 H SER A 18 -3.408 15.387 25.497 1.00 0.00 H new ATOM 0 HA SER A 18 -3.762 16.404 28.092 1.00 0.00 H new ATOM 0 HB2 SER A 18 -3.951 17.781 25.377 1.00 0.00 H new ATOM 0 HB3 SER A 18 -3.771 18.606 26.913 1.00 0.00 H new ATOM 0 HG SER A 18 -1.737 18.291 25.842 1.00 0.00 H new ATOM 224 N TRP A 19 -6.469 16.070 26.387 1.00 0.00 N ATOM 225 CA TRP A 19 -7.921 16.209 26.413 1.00 0.00 C ATOM 226 C TRP A 19 -8.581 14.930 26.916 1.00 0.00 C ATOM 227 O TRP A 19 -9.776 14.714 26.708 1.00 0.00 O ATOM 228 CB TRP A 19 -8.445 16.555 25.019 1.00 0.00 C ATOM 229 CG TRP A 19 -7.827 15.732 23.930 1.00 0.00 C ATOM 230 CD1 TRP A 19 -6.723 16.047 23.191 1.00 0.00 C ATOM 231 CD2 TRP A 19 -8.279 14.458 23.458 1.00 0.00 C ATOM 232 NE1 TRP A 19 -6.461 15.045 22.287 1.00 0.00 N ATOM 233 CE2 TRP A 19 -7.401 14.059 22.431 1.00 0.00 C ATOM 234 CE3 TRP A 19 -9.338 13.614 23.804 1.00 0.00 C ATOM 235 CZ2 TRP A 19 -7.552 12.855 21.749 1.00 0.00 C ATOM 236 CZ3 TRP A 19 -9.487 12.420 23.125 1.00 0.00 C ATOM 237 CH2 TRP A 19 -8.598 12.049 22.107 1.00 0.00 C ATOM 0 H TRP A 19 -6.119 15.427 25.677 1.00 0.00 H new ATOM 0 HA TRP A 19 -8.172 17.018 27.099 1.00 0.00 H new ATOM 0 HB2 TRP A 19 -9.526 16.416 25.000 1.00 0.00 H new ATOM 0 HB3 TRP A 19 -8.256 17.610 24.819 1.00 0.00 H new ATOM 0 HD1 TRP A 19 -6.141 16.950 23.301 1.00 0.00 H new ATOM 0 HE1 TRP A 19 -5.691 15.037 21.618 1.00 0.00 H new ATOM 0 HE3 TRP A 19 -10.027 13.890 24.588 1.00 0.00 H new ATOM 0 HZ2 TRP A 19 -6.868 12.567 20.965 1.00 0.00 H new ATOM 0 HZ3 TRP A 19 -10.303 11.761 23.383 1.00 0.00 H new ATOM 0 HH2 TRP A 19 -8.741 11.109 21.595 1.00 0.00 H new ATOM 248 N LEU A 20 -7.798 14.086 27.577 1.00 0.00 N ATOM 249 CA LEU A 20 -8.307 12.827 28.110 1.00 0.00 C ATOM 250 C LEU A 20 -8.559 12.932 29.610 1.00 0.00 C ATOM 251 O LEU A 20 -7.654 13.249 30.381 1.00 0.00 O ATOM 252 CB LEU A 20 -7.320 11.693 27.825 1.00 0.00 C ATOM 253 CG LEU A 20 -7.661 10.789 26.640 1.00 0.00 C ATOM 254 CD1 LEU A 20 -6.584 9.732 26.449 1.00 0.00 C ATOM 255 CD2 LEU A 20 -9.021 10.137 26.840 1.00 0.00 C ATOM 0 H LEU A 20 -6.808 14.250 27.757 1.00 0.00 H new ATOM 0 HA LEU A 20 -9.254 12.609 27.616 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -6.336 12.129 27.652 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -7.241 11.073 28.718 1.00 0.00 H new ATOM 0 HG LEU A 20 -7.704 11.402 25.740 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -6.843 9.098 25.601 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -5.627 10.218 26.259 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -6.509 9.122 27.349 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -9.247 9.497 25.987 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -9.006 9.537 27.750 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -9.785 10.909 26.927 1.00 0.00 H new ATOM 267 N GLY A 21 -9.796 12.663 30.018 1.00 0.00 N ATOM 268 CA GLY A 21 -10.144 12.732 31.425 1.00 0.00 C ATOM 269 C GLY A 21 -11.110 13.860 31.729 1.00 0.00 C ATOM 270 O GLY A 21 -11.769 13.858 32.768 1.00 0.00 O ATOM 0 H GLY A 21 -10.563 12.399 29.399 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -10.587 11.785 31.733 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -9.237 12.866 32.014 1.00 0.00 H new ATOM 274 N GLU A 22 -11.193 14.827 30.820 1.00 0.00 N ATOM 275 CA GLU A 22 -12.084 15.967 30.999 1.00 0.00 C ATOM 276 C GLU A 22 -13.082 16.063 29.849 1.00 0.00 C ATOM 277 O GLU A 22 -12.749 15.775 28.699 1.00 0.00 O ATOM 278 CB GLU A 22 -11.276 17.263 31.097 1.00 0.00 C ATOM 279 CG GLU A 22 -12.073 18.437 31.640 1.00 0.00 C ATOM 280 CD GLU A 22 -12.304 18.344 33.136 1.00 0.00 C ATOM 281 OE1 GLU A 22 -11.723 17.438 33.770 1.00 0.00 O ATOM 282 OE2 GLU A 22 -13.067 19.174 33.672 1.00 0.00 O ATOM 0 H GLU A 22 -10.655 14.843 29.954 1.00 0.00 H new ATOM 0 HA GLU A 22 -12.638 15.821 31.927 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -10.411 17.094 31.738 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -10.895 17.519 30.108 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -11.546 19.364 31.415 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -13.035 18.485 31.130 1.00 0.00 H new ATOM 289 N GLN A 23 -14.307 16.469 30.168 1.00 0.00 N ATOM 290 CA GLN A 23 -15.354 16.601 29.162 1.00 0.00 C ATOM 291 C GLN A 23 -14.948 17.598 28.082 1.00 0.00 C ATOM 292 O GLN A 23 -14.061 18.431 28.273 1.00 0.00 O ATOM 293 CB GLN A 23 -16.664 17.044 29.815 1.00 0.00 C ATOM 294 CG GLN A 23 -17.534 15.887 30.280 1.00 0.00 C ATOM 295 CD GLN A 23 -18.781 16.350 31.007 1.00 0.00 C ATOM 296 OE1 GLN A 23 -19.050 17.547 31.102 1.00 0.00 O ATOM 297 NE2 GLN A 23 -19.551 15.400 31.526 1.00 0.00 N ATOM 0 H GLN A 23 -14.598 16.712 31.115 1.00 0.00 H new ATOM 0 HA GLN A 23 -15.500 15.627 28.695 1.00 0.00 H new ATOM 0 HB2 GLN A 23 -16.437 17.683 30.669 1.00 0.00 H new ATOM 0 HB3 GLN A 23 -17.228 17.649 29.105 1.00 0.00 H new ATOM 0 HG2 GLN A 23 -17.823 15.285 29.418 1.00 0.00 H new ATOM 0 HG3 GLN A 23 -16.952 15.242 30.939 1.00 0.00 H new ATOM 0 HE21 GLN A 23 -19.290 14.419 31.424 1.00 0.00 H new ATOM 0 HE22 GLN A 23 -20.403 15.651 32.027 1.00 0.00 H new ATOM 306 N PRO A 24 -15.610 17.514 26.918 1.00 0.00 N ATOM 307 CA PRO A 24 -15.335 18.401 25.785 1.00 0.00 C ATOM 308 C PRO A 24 -15.784 19.834 26.048 1.00 0.00 C ATOM 309 O PRO A 24 -15.487 20.740 25.269 1.00 0.00 O ATOM 310 CB PRO A 24 -16.152 17.785 24.646 1.00 0.00 C ATOM 311 CG PRO A 24 -17.254 17.049 25.326 1.00 0.00 C ATOM 312 CD PRO A 24 -16.678 16.545 26.621 1.00 0.00 C ATOM 0 HA PRO A 24 -14.268 18.472 25.573 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -16.542 18.553 23.978 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -15.543 17.114 24.040 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -18.107 17.703 25.507 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -17.610 16.223 24.710 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -17.428 16.519 27.411 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -16.286 15.533 26.520 1.00 0.00 H new ATOM 320 N GLN A 25 -16.500 20.032 27.150 1.00 0.00 N ATOM 321 CA GLN A 25 -16.989 21.356 27.515 1.00 0.00 C ATOM 322 C GLN A 25 -15.931 22.133 28.291 1.00 0.00 C ATOM 323 O GLN A 25 -15.943 23.364 28.316 1.00 0.00 O ATOM 324 CB GLN A 25 -18.266 21.239 28.349 1.00 0.00 C ATOM 325 CG GLN A 25 -19.268 20.242 27.790 1.00 0.00 C ATOM 326 CD GLN A 25 -20.674 20.806 27.718 1.00 0.00 C ATOM 327 OE1 GLN A 25 -20.869 21.980 27.403 1.00 0.00 O ATOM 328 NE2 GLN A 25 -21.663 19.970 28.010 1.00 0.00 N ATOM 0 H GLN A 25 -16.754 19.293 27.805 1.00 0.00 H new ATOM 0 HA GLN A 25 -17.211 21.899 26.596 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -18.001 20.945 29.365 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -18.739 22.219 28.414 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -18.952 19.935 26.793 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -19.271 19.347 28.413 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -21.456 19.005 28.266 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -22.630 20.293 27.978 1.00 0.00 H new ATOM 337 N PHE A 26 -15.015 21.407 28.923 1.00 0.00 N ATOM 338 CA PHE A 26 -13.950 22.028 29.701 1.00 0.00 C ATOM 339 C PHE A 26 -12.598 21.841 29.019 1.00 0.00 C ATOM 340 O PHE A 26 -11.609 21.492 29.662 1.00 0.00 O ATOM 341 CB PHE A 26 -13.908 21.436 31.112 1.00 0.00 C ATOM 342 CG PHE A 26 -15.195 21.599 31.869 1.00 0.00 C ATOM 343 CD1 PHE A 26 -16.218 20.676 31.727 1.00 0.00 C ATOM 344 CD2 PHE A 26 -15.381 22.674 32.722 1.00 0.00 C ATOM 345 CE1 PHE A 26 -17.404 20.824 32.421 1.00 0.00 C ATOM 346 CE2 PHE A 26 -16.564 22.827 33.420 1.00 0.00 C ATOM 347 CZ PHE A 26 -17.576 21.900 33.270 1.00 0.00 C ATOM 0 H PHE A 26 -14.989 20.387 28.911 1.00 0.00 H new ATOM 0 HA PHE A 26 -14.159 23.096 29.768 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -13.667 20.375 31.045 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -13.103 21.911 31.673 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -16.087 19.831 31.067 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -14.592 23.402 32.843 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -18.195 20.099 32.300 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -16.697 23.670 34.082 1.00 0.00 H new ATOM 0 HZ PHE A 26 -18.501 22.016 33.816 1.00 0.00 H new ATOM 357 N TRP A 27 -12.565 22.076 27.712 1.00 0.00 N ATOM 358 CA TRP A 27 -11.335 21.933 26.941 1.00 0.00 C ATOM 359 C TRP A 27 -10.654 23.284 26.747 1.00 0.00 C ATOM 360 O TRP A 27 -11.305 24.328 26.779 1.00 0.00 O ATOM 361 CB TRP A 27 -11.632 21.298 25.581 1.00 0.00 C ATOM 362 CG TRP A 27 -11.709 19.802 25.629 1.00 0.00 C ATOM 363 CD1 TRP A 27 -11.670 19.014 26.744 1.00 0.00 C ATOM 364 CD2 TRP A 27 -11.836 18.915 24.513 1.00 0.00 C ATOM 365 NE1 TRP A 27 -11.765 17.691 26.388 1.00 0.00 N ATOM 366 CE2 TRP A 27 -11.869 17.603 25.025 1.00 0.00 C ATOM 367 CE3 TRP A 27 -11.927 19.100 23.131 1.00 0.00 C ATOM 368 CZ2 TRP A 27 -11.988 16.486 24.203 1.00 0.00 C ATOM 369 CZ3 TRP A 27 -12.045 17.990 22.316 1.00 0.00 C ATOM 370 CH2 TRP A 27 -12.075 16.697 22.854 1.00 0.00 C ATOM 0 H TRP A 27 -13.375 22.366 27.164 1.00 0.00 H new ATOM 0 HA TRP A 27 -10.660 21.283 27.498 1.00 0.00 H new ATOM 0 HB2 TRP A 27 -12.575 21.691 25.202 1.00 0.00 H new ATOM 0 HB3 TRP A 27 -10.857 21.592 24.873 1.00 0.00 H new ATOM 0 HD1 TRP A 27 -11.578 19.378 27.757 1.00 0.00 H new ATOM 0 HE1 TRP A 27 -11.759 16.902 27.034 1.00 0.00 H new ATOM 0 HE3 TRP A 27 -11.906 20.093 22.707 1.00 0.00 H new ATOM 0 HZ2 TRP A 27 -12.011 15.488 24.615 1.00 0.00 H new ATOM 0 HZ3 TRP A 27 -12.115 18.122 21.246 1.00 0.00 H new ATOM 0 HH2 TRP A 27 -12.169 15.850 22.191 1.00 0.00 H new ATOM 381 N SER A 28 -9.341 23.256 26.545 1.00 0.00 N ATOM 382 CA SER A 28 -8.571 24.479 26.349 1.00 0.00 C ATOM 383 C SER A 28 -8.268 24.699 24.870 1.00 0.00 C ATOM 384 O SER A 28 -8.394 23.785 24.055 1.00 0.00 O ATOM 385 CB SER A 28 -7.266 24.419 27.146 1.00 0.00 C ATOM 386 OG SER A 28 -7.481 23.873 28.436 1.00 0.00 O ATOM 0 H SER A 28 -8.788 22.400 26.513 1.00 0.00 H new ATOM 0 HA SER A 28 -9.169 25.317 26.708 1.00 0.00 H new ATOM 0 HB2 SER A 28 -6.536 23.814 26.609 1.00 0.00 H new ATOM 0 HB3 SER A 28 -6.845 25.420 27.237 1.00 0.00 H new ATOM 0 HG SER A 28 -7.573 22.900 28.368 1.00 0.00 H new ATOM 392 N LYS A 29 -7.866 25.919 24.531 1.00 0.00 N ATOM 393 CA LYS A 29 -7.542 26.262 23.151 1.00 0.00 C ATOM 394 C LYS A 29 -6.476 25.325 22.593 1.00 0.00 C ATOM 395 O LYS A 29 -6.390 25.115 21.382 1.00 0.00 O ATOM 396 CB LYS A 29 -7.058 27.711 23.064 1.00 0.00 C ATOM 397 CG LYS A 29 -8.135 28.732 23.387 1.00 0.00 C ATOM 398 CD LYS A 29 -7.554 29.960 24.068 1.00 0.00 C ATOM 399 CE LYS A 29 -8.645 30.924 24.507 1.00 0.00 C ATOM 400 NZ LYS A 29 -8.525 31.280 25.948 1.00 0.00 N ATOM 0 H LYS A 29 -7.757 26.687 25.193 1.00 0.00 H new ATOM 0 HA LYS A 29 -8.447 26.151 22.554 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -6.222 27.848 23.750 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -6.680 27.899 22.059 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -8.642 29.030 22.469 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -8.886 28.278 24.033 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -6.968 29.653 24.934 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -6.872 30.467 23.385 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -8.593 31.830 23.904 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -9.621 30.475 24.324 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -9.287 31.939 26.207 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -8.600 30.419 26.526 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -7.604 31.732 26.118 1.00 0.00 H new ATOM 414 N THR A 30 -5.665 24.761 23.483 1.00 0.00 N ATOM 415 CA THR A 30 -4.605 23.846 23.080 1.00 0.00 C ATOM 416 C THR A 30 -5.127 22.418 22.961 1.00 0.00 C ATOM 417 O THR A 30 -4.707 21.666 22.082 1.00 0.00 O ATOM 418 CB THR A 30 -3.432 23.869 24.078 1.00 0.00 C ATOM 419 OG1 THR A 30 -3.327 25.165 24.679 1.00 0.00 O ATOM 420 CG2 THR A 30 -2.125 23.519 23.385 1.00 0.00 C ATOM 0 H THR A 30 -5.723 24.922 24.488 1.00 0.00 H new ATOM 0 HA THR A 30 -4.250 24.184 22.106 1.00 0.00 H new ATOM 0 HB THR A 30 -3.626 23.125 24.850 1.00 0.00 H new ATOM 0 HG1 THR A 30 -2.580 25.172 25.314 1.00 0.00 H new ATOM 0 HG21 THR A 30 -1.311 23.542 24.110 1.00 0.00 H new ATOM 0 HG22 THR A 30 -2.198 22.521 22.953 1.00 0.00 H new ATOM 0 HG23 THR A 30 -1.927 24.243 22.595 1.00 0.00 H new ATOM 428 N GLN A 31 -6.046 22.053 23.849 1.00 0.00 N ATOM 429 CA GLN A 31 -6.625 20.715 23.842 1.00 0.00 C ATOM 430 C GLN A 31 -7.368 20.450 22.537 1.00 0.00 C ATOM 431 O GLN A 31 -7.201 19.400 21.917 1.00 0.00 O ATOM 432 CB GLN A 31 -7.575 20.541 25.028 1.00 0.00 C ATOM 433 CG GLN A 31 -6.878 20.594 26.378 1.00 0.00 C ATOM 434 CD GLN A 31 -7.838 20.416 27.538 1.00 0.00 C ATOM 435 OE1 GLN A 31 -7.806 21.175 28.507 1.00 0.00 O ATOM 436 NE2 GLN A 31 -8.700 19.410 27.444 1.00 0.00 N ATOM 0 H GLN A 31 -6.405 22.665 24.582 1.00 0.00 H new ATOM 0 HA GLN A 31 -5.812 19.994 23.928 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -8.336 21.320 24.991 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -8.091 19.586 24.932 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -6.116 19.816 26.420 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -6.364 21.550 26.480 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -8.691 18.806 26.622 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -9.371 19.242 28.193 1.00 0.00 H new ATOM 445 N VAL A 32 -8.191 21.410 22.125 1.00 0.00 N ATOM 446 CA VAL A 32 -8.960 21.281 20.893 1.00 0.00 C ATOM 447 C VAL A 32 -8.060 20.909 19.720 1.00 0.00 C ATOM 448 O VAL A 32 -8.197 19.835 19.134 1.00 0.00 O ATOM 449 CB VAL A 32 -9.707 22.586 20.559 1.00 0.00 C ATOM 450 CG1 VAL A 32 -10.478 22.441 19.256 1.00 0.00 C ATOM 451 CG2 VAL A 32 -10.638 22.973 21.699 1.00 0.00 C ATOM 0 H VAL A 32 -8.342 22.285 22.627 1.00 0.00 H new ATOM 0 HA VAL A 32 -9.688 20.486 21.055 1.00 0.00 H new ATOM 0 HB VAL A 32 -8.974 23.382 20.433 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -10.999 23.373 19.036 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -9.785 22.213 18.446 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -11.203 21.633 19.350 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -11.158 23.897 21.446 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -11.367 22.179 21.859 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -10.057 23.121 22.609 1.00 0.00 H new ATOM 461 N LEU A 33 -7.139 21.805 19.381 1.00 0.00 N ATOM 462 CA LEU A 33 -6.214 21.571 18.277 1.00 0.00 C ATOM 463 C LEU A 33 -5.474 20.249 18.457 1.00 0.00 C ATOM 464 O LEU A 33 -5.132 19.581 17.482 1.00 0.00 O ATOM 465 CB LEU A 33 -5.211 22.721 18.174 1.00 0.00 C ATOM 466 CG LEU A 33 -5.805 24.113 17.962 1.00 0.00 C ATOM 467 CD1 LEU A 33 -4.875 25.181 18.516 1.00 0.00 C ATOM 468 CD2 LEU A 33 -6.080 24.357 16.485 1.00 0.00 C ATOM 0 H LEU A 33 -7.013 22.700 19.854 1.00 0.00 H new ATOM 0 HA LEU A 33 -6.793 21.519 17.355 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -4.613 22.738 19.085 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -4.530 22.509 17.350 1.00 0.00 H new ATOM 0 HG LEU A 33 -6.751 24.169 18.501 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -5.315 26.165 18.356 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -4.729 25.018 19.584 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -3.913 25.126 18.006 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -6.503 25.353 16.353 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -5.149 24.281 15.924 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -6.786 23.612 16.118 1.00 0.00 H new ATOM 480 N ASP A 34 -5.233 19.878 19.710 1.00 0.00 N ATOM 481 CA ASP A 34 -4.536 18.635 20.018 1.00 0.00 C ATOM 482 C ASP A 34 -5.427 17.429 19.737 1.00 0.00 C ATOM 483 O ASP A 34 -4.939 16.346 19.413 1.00 0.00 O ATOM 484 CB ASP A 34 -4.089 18.625 21.480 1.00 0.00 C ATOM 485 CG ASP A 34 -2.684 19.167 21.660 1.00 0.00 C ATOM 486 OD1 ASP A 34 -2.364 20.201 21.037 1.00 0.00 O ATOM 487 OD2 ASP A 34 -1.905 18.557 22.423 1.00 0.00 O ATOM 0 H ASP A 34 -5.510 20.420 20.528 1.00 0.00 H new ATOM 0 HA ASP A 34 -3.657 18.572 19.377 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -4.783 19.220 22.073 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -4.134 17.606 21.864 1.00 0.00 H new ATOM 492 N TRP A 35 -6.734 17.624 19.865 1.00 0.00 N ATOM 493 CA TRP A 35 -7.693 16.551 19.627 1.00 0.00 C ATOM 494 C TRP A 35 -7.897 16.325 18.133 1.00 0.00 C ATOM 495 O TRP A 35 -8.173 15.207 17.697 1.00 0.00 O ATOM 496 CB TRP A 35 -9.031 16.877 20.293 1.00 0.00 C ATOM 497 CG TRP A 35 -10.124 15.918 19.932 1.00 0.00 C ATOM 498 CD1 TRP A 35 -10.327 14.672 20.454 1.00 0.00 C ATOM 499 CD2 TRP A 35 -11.163 16.125 18.969 1.00 0.00 C ATOM 500 NE1 TRP A 35 -11.429 14.093 19.874 1.00 0.00 N ATOM 501 CE2 TRP A 35 -11.960 14.964 18.960 1.00 0.00 C ATOM 502 CE3 TRP A 35 -11.498 17.179 18.115 1.00 0.00 C ATOM 503 CZ2 TRP A 35 -13.070 14.830 18.129 1.00 0.00 C ATOM 504 CZ3 TRP A 35 -12.599 17.044 17.291 1.00 0.00 C ATOM 505 CH2 TRP A 35 -13.375 15.877 17.303 1.00 0.00 C ATOM 0 H TRP A 35 -7.154 18.514 20.132 1.00 0.00 H new ATOM 0 HA TRP A 35 -7.292 15.636 20.063 1.00 0.00 H new ATOM 0 HB2 TRP A 35 -8.900 16.876 21.375 1.00 0.00 H new ATOM 0 HB3 TRP A 35 -9.334 17.885 20.009 1.00 0.00 H new ATOM 0 HD1 TRP A 35 -9.711 14.210 21.212 1.00 0.00 H new ATOM 0 HE1 TRP A 35 -11.793 13.165 20.089 1.00 0.00 H new ATOM 0 HE3 TRP A 35 -10.907 18.083 18.099 1.00 0.00 H new ATOM 0 HZ2 TRP A 35 -13.669 13.931 18.137 1.00 0.00 H new ATOM 0 HZ3 TRP A 35 -12.866 17.852 16.626 1.00 0.00 H new ATOM 0 HH2 TRP A 35 -14.230 15.803 16.648 1.00 0.00 H new ATOM 516 N ILE A 36 -7.760 17.393 17.353 1.00 0.00 N ATOM 517 CA ILE A 36 -7.928 17.310 15.908 1.00 0.00 C ATOM 518 C ILE A 36 -6.906 16.362 15.290 1.00 0.00 C ATOM 519 O ILE A 36 -7.261 15.460 14.530 1.00 0.00 O ATOM 520 CB ILE A 36 -7.795 18.693 15.245 1.00 0.00 C ATOM 521 CG1 ILE A 36 -8.831 19.661 15.821 1.00 0.00 C ATOM 522 CG2 ILE A 36 -7.953 18.575 13.736 1.00 0.00 C ATOM 523 CD1 ILE A 36 -8.753 21.051 15.231 1.00 0.00 C ATOM 0 H ILE A 36 -7.533 18.326 17.698 1.00 0.00 H new ATOM 0 HA ILE A 36 -8.932 16.926 15.729 1.00 0.00 H new ATOM 0 HB ILE A 36 -6.801 19.087 15.457 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -9.829 19.257 15.648 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -8.695 19.725 16.901 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -7.856 19.561 13.282 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -7.181 17.916 13.340 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -8.935 18.163 13.504 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -9.516 21.683 15.686 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -7.768 21.474 15.426 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -8.919 20.999 14.155 1.00 0.00 H new ATOM 535 N SER A 37 -5.636 16.571 15.622 1.00 0.00 N ATOM 536 CA SER A 37 -4.562 15.736 15.098 1.00 0.00 C ATOM 537 C SER A 37 -4.868 14.257 15.315 1.00 0.00 C ATOM 538 O SER A 37 -4.540 13.414 14.479 1.00 0.00 O ATOM 539 CB SER A 37 -3.234 16.097 15.766 1.00 0.00 C ATOM 540 OG SER A 37 -2.227 15.155 15.442 1.00 0.00 O ATOM 0 H SER A 37 -5.326 17.311 16.251 1.00 0.00 H new ATOM 0 HA SER A 37 -4.483 15.919 14.026 1.00 0.00 H new ATOM 0 HB2 SER A 37 -2.922 17.092 15.447 1.00 0.00 H new ATOM 0 HB3 SER A 37 -3.366 16.135 16.847 1.00 0.00 H new ATOM 0 HG SER A 37 -1.388 15.409 15.880 1.00 0.00 H new ATOM 546 N TYR A 38 -5.498 13.949 16.443 1.00 0.00 N ATOM 547 CA TYR A 38 -5.847 12.572 16.773 1.00 0.00 C ATOM 548 C TYR A 38 -6.808 11.992 15.740 1.00 0.00 C ATOM 549 O TYR A 38 -6.625 10.870 15.268 1.00 0.00 O ATOM 550 CB TYR A 38 -6.474 12.503 18.166 1.00 0.00 C ATOM 551 CG TYR A 38 -7.623 11.524 18.264 1.00 0.00 C ATOM 552 CD1 TYR A 38 -7.402 10.154 18.190 1.00 0.00 C ATOM 553 CD2 TYR A 38 -8.928 11.969 18.431 1.00 0.00 C ATOM 554 CE1 TYR A 38 -8.448 9.257 18.279 1.00 0.00 C ATOM 555 CE2 TYR A 38 -9.980 11.079 18.522 1.00 0.00 C ATOM 556 CZ TYR A 38 -9.735 9.724 18.445 1.00 0.00 C ATOM 557 OH TYR A 38 -10.781 8.834 18.534 1.00 0.00 O ATOM 0 H TYR A 38 -5.778 14.634 17.145 1.00 0.00 H new ATOM 0 HA TYR A 38 -4.932 11.979 16.764 1.00 0.00 H new ATOM 0 HB2 TYR A 38 -5.706 12.223 18.888 1.00 0.00 H new ATOM 0 HB3 TYR A 38 -6.828 13.495 18.446 1.00 0.00 H new ATOM 0 HD1 TYR A 38 -6.395 9.785 18.061 1.00 0.00 H new ATOM 0 HD2 TYR A 38 -9.123 13.029 18.491 1.00 0.00 H new ATOM 0 HE1 TYR A 38 -8.259 8.195 18.219 1.00 0.00 H new ATOM 0 HE2 TYR A 38 -10.989 11.442 18.653 1.00 0.00 H new ATOM 0 HH TYR A 38 -11.630 9.318 18.457 1.00 0.00 H new ATOM 567 N GLN A 39 -7.832 12.765 15.394 1.00 0.00 N ATOM 568 CA GLN A 39 -8.823 12.328 14.417 1.00 0.00 C ATOM 569 C GLN A 39 -8.275 12.442 12.998 1.00 0.00 C ATOM 570 O GLN A 39 -8.735 11.753 12.087 1.00 0.00 O ATOM 571 CB GLN A 39 -10.102 13.156 14.551 1.00 0.00 C ATOM 572 CG GLN A 39 -11.157 12.507 15.433 1.00 0.00 C ATOM 573 CD GLN A 39 -12.301 11.915 14.634 1.00 0.00 C ATOM 574 OE1 GLN A 39 -12.902 12.589 13.796 1.00 0.00 O ATOM 575 NE2 GLN A 39 -12.610 10.649 14.890 1.00 0.00 N ATOM 0 H GLN A 39 -7.997 13.697 15.775 1.00 0.00 H new ATOM 0 HA GLN A 39 -9.054 11.281 14.615 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -9.850 14.135 14.960 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -10.522 13.323 13.559 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -10.693 11.723 16.031 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -11.550 13.249 16.129 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -12.085 10.128 15.593 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -13.372 10.198 14.384 1.00 0.00 H new ATOM 584 N VAL A 40 -7.290 13.316 12.818 1.00 0.00 N ATOM 585 CA VAL A 40 -6.679 13.520 11.510 1.00 0.00 C ATOM 586 C VAL A 40 -5.684 12.411 11.190 1.00 0.00 C ATOM 587 O VAL A 40 -5.444 12.096 10.024 1.00 0.00 O ATOM 588 CB VAL A 40 -5.960 14.879 11.432 1.00 0.00 C ATOM 589 CG1 VAL A 40 -5.291 15.053 10.077 1.00 0.00 C ATOM 590 CG2 VAL A 40 -6.935 16.014 11.703 1.00 0.00 C ATOM 0 H VAL A 40 -6.898 13.894 13.561 1.00 0.00 H new ATOM 0 HA VAL A 40 -7.486 13.503 10.777 1.00 0.00 H new ATOM 0 HB VAL A 40 -5.186 14.904 12.199 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -4.788 16.019 10.041 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -4.561 14.258 9.927 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -6.044 15.007 9.291 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -6.409 16.967 11.644 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -7.733 15.993 10.961 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -7.362 15.897 12.699 1.00 0.00 H new ATOM 600 N GLU A 41 -5.107 11.821 12.232 1.00 0.00 N ATOM 601 CA GLU A 41 -4.136 10.747 12.061 1.00 0.00 C ATOM 602 C GLU A 41 -4.835 9.395 11.945 1.00 0.00 C ATOM 603 O GLU A 41 -4.307 8.460 11.343 1.00 0.00 O ATOM 604 CB GLU A 41 -3.153 10.726 13.234 1.00 0.00 C ATOM 605 CG GLU A 41 -2.106 9.630 13.131 1.00 0.00 C ATOM 606 CD GLU A 41 -1.506 9.526 11.742 1.00 0.00 C ATOM 607 OE1 GLU A 41 -1.114 10.573 11.186 1.00 0.00 O ATOM 608 OE2 GLU A 41 -1.427 8.398 11.212 1.00 0.00 O ATOM 0 H GLU A 41 -5.295 12.069 13.203 1.00 0.00 H new ATOM 0 HA GLU A 41 -3.586 10.933 11.139 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -2.651 11.692 13.294 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -3.710 10.598 14.162 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -1.312 9.822 13.852 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -2.557 8.675 13.400 1.00 0.00 H new ATOM 615 N LYS A 42 -6.026 9.300 12.526 1.00 0.00 N ATOM 616 CA LYS A 42 -6.800 8.064 12.489 1.00 0.00 C ATOM 617 C LYS A 42 -7.541 7.927 11.163 1.00 0.00 C ATOM 618 O LYS A 42 -7.459 6.895 10.499 1.00 0.00 O ATOM 619 CB LYS A 42 -7.797 8.027 13.650 1.00 0.00 C ATOM 620 CG LYS A 42 -7.643 6.810 14.544 1.00 0.00 C ATOM 621 CD LYS A 42 -6.770 7.111 15.751 1.00 0.00 C ATOM 622 CE LYS A 42 -6.234 5.836 16.383 1.00 0.00 C ATOM 623 NZ LYS A 42 -4.786 5.947 16.714 1.00 0.00 N ATOM 0 H LYS A 42 -6.477 10.065 13.029 1.00 0.00 H new ATOM 0 HA LYS A 42 -6.108 7.228 12.587 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -7.675 8.927 14.252 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -8.810 8.047 13.249 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -8.625 6.477 14.879 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -7.206 5.991 13.973 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -5.937 7.747 15.450 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -7.347 7.669 16.488 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -6.798 5.615 17.289 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -6.387 5.000 15.701 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -4.459 5.058 17.143 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -4.245 6.132 15.846 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -4.642 6.728 17.385 1.00 0.00 H new ATOM 637 N ASN A 43 -8.265 8.975 10.784 1.00 0.00 N ATOM 638 CA ASN A 43 -9.021 8.971 9.536 1.00 0.00 C ATOM 639 C ASN A 43 -8.087 9.079 8.334 1.00 0.00 C ATOM 640 O ASN A 43 -8.507 8.908 7.190 1.00 0.00 O ATOM 641 CB ASN A 43 -10.026 10.124 9.521 1.00 0.00 C ATOM 642 CG ASN A 43 -11.185 9.893 10.470 1.00 0.00 C ATOM 643 OD1 ASN A 43 -12.259 9.452 10.061 1.00 0.00 O ATOM 644 ND2 ASN A 43 -10.973 10.192 11.747 1.00 0.00 N ATOM 0 H ASN A 43 -8.344 9.838 11.323 1.00 0.00 H new ATOM 0 HA ASN A 43 -9.561 8.027 9.470 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -9.517 11.049 9.792 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -10.409 10.255 8.509 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -11.717 10.058 12.432 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -10.067 10.555 12.042 1.00 0.00 H new ATOM 651 N LYS A 44 -6.817 9.364 8.603 1.00 0.00 N ATOM 652 CA LYS A 44 -5.822 9.493 7.545 1.00 0.00 C ATOM 653 C LYS A 44 -6.156 10.662 6.624 1.00 0.00 C ATOM 654 O LYS A 44 -5.894 10.612 5.422 1.00 0.00 O ATOM 655 CB LYS A 44 -5.739 8.198 6.733 1.00 0.00 C ATOM 656 CG LYS A 44 -5.637 6.949 7.591 1.00 0.00 C ATOM 657 CD LYS A 44 -4.471 6.073 7.164 1.00 0.00 C ATOM 658 CE LYS A 44 -4.815 5.249 5.932 1.00 0.00 C ATOM 659 NZ LYS A 44 -3.732 5.299 4.912 1.00 0.00 N ATOM 0 H LYS A 44 -6.453 9.510 9.545 1.00 0.00 H new ATOM 0 HA LYS A 44 -4.856 9.685 8.011 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -6.621 8.121 6.097 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -4.873 8.247 6.073 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -5.516 7.233 8.636 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -6.565 6.381 7.521 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -3.603 6.698 6.954 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -4.195 5.408 7.982 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -4.991 4.214 6.225 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -5.743 5.619 5.495 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -4.004 4.725 4.088 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -3.581 6.284 4.614 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -2.853 4.923 5.320 1.00 0.00 H new ATOM 673 N TYR A 45 -6.733 11.713 7.195 1.00 0.00 N ATOM 674 CA TYR A 45 -7.103 12.894 6.424 1.00 0.00 C ATOM 675 C TYR A 45 -5.863 13.637 5.936 1.00 0.00 C ATOM 676 O TYR A 45 -4.876 13.764 6.661 1.00 0.00 O ATOM 677 CB TYR A 45 -7.971 13.829 7.269 1.00 0.00 C ATOM 678 CG TYR A 45 -8.621 14.937 6.472 1.00 0.00 C ATOM 679 CD1 TYR A 45 -9.355 14.657 5.326 1.00 0.00 C ATOM 680 CD2 TYR A 45 -8.500 16.265 6.864 1.00 0.00 C ATOM 681 CE1 TYR A 45 -9.950 15.666 4.594 1.00 0.00 C ATOM 682 CE2 TYR A 45 -9.093 17.280 6.139 1.00 0.00 C ATOM 683 CZ TYR A 45 -9.816 16.976 5.005 1.00 0.00 C ATOM 684 OH TYR A 45 -10.407 17.985 4.279 1.00 0.00 O ATOM 0 H TYR A 45 -6.955 11.771 8.189 1.00 0.00 H new ATOM 0 HA TYR A 45 -7.673 12.565 5.555 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -8.747 13.244 7.762 1.00 0.00 H new ATOM 0 HB3 TYR A 45 -7.357 14.270 8.055 1.00 0.00 H new ATOM 0 HD1 TYR A 45 -9.462 13.632 5.002 1.00 0.00 H new ATOM 0 HD2 TYR A 45 -7.933 16.507 7.750 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -10.517 15.431 3.705 1.00 0.00 H new ATOM 0 HE2 TYR A 45 -8.991 18.307 6.459 1.00 0.00 H new ATOM 0 HH TYR A 45 -10.450 17.727 3.335 1.00 0.00 H new ATOM 694 N ASP A 46 -5.923 14.127 4.703 1.00 0.00 N ATOM 695 CA ASP A 46 -4.806 14.859 4.116 1.00 0.00 C ATOM 696 C ASP A 46 -4.351 15.986 5.038 1.00 0.00 C ATOM 697 O ASP A 46 -3.178 16.357 5.049 1.00 0.00 O ATOM 698 CB ASP A 46 -5.201 15.426 2.752 1.00 0.00 C ATOM 699 CG ASP A 46 -4.239 15.017 1.654 1.00 0.00 C ATOM 700 OD1 ASP A 46 -3.023 14.949 1.926 1.00 0.00 O ATOM 701 OD2 ASP A 46 -4.703 14.764 0.522 1.00 0.00 O ATOM 0 H ASP A 46 -6.733 14.031 4.090 1.00 0.00 H new ATOM 0 HA ASP A 46 -3.976 14.164 3.985 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -6.205 15.085 2.497 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -5.239 16.514 2.811 1.00 0.00 H new ATOM 706 N ALA A 47 -5.289 16.527 5.809 1.00 0.00 N ATOM 707 CA ALA A 47 -4.984 17.612 6.735 1.00 0.00 C ATOM 708 C ALA A 47 -4.528 18.860 5.987 1.00 0.00 C ATOM 709 O ALA A 47 -3.808 19.694 6.534 1.00 0.00 O ATOM 710 CB ALA A 47 -3.921 17.172 7.730 1.00 0.00 C ATOM 0 H ALA A 47 -6.265 16.232 5.811 1.00 0.00 H new ATOM 0 HA ALA A 47 -5.895 17.860 7.279 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -3.703 17.991 8.415 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -4.284 16.313 8.295 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -3.013 16.896 7.194 1.00 0.00 H new ATOM 716 N SER A 48 -4.951 18.981 4.733 1.00 0.00 N ATOM 717 CA SER A 48 -4.582 20.125 3.908 1.00 0.00 C ATOM 718 C SER A 48 -5.788 21.027 3.659 1.00 0.00 C ATOM 719 O SER A 48 -5.849 21.737 2.656 1.00 0.00 O ATOM 720 CB SER A 48 -4.000 19.654 2.575 1.00 0.00 C ATOM 721 OG SER A 48 -3.591 20.753 1.779 1.00 0.00 O ATOM 0 H SER A 48 -5.550 18.300 4.266 1.00 0.00 H new ATOM 0 HA SER A 48 -3.825 20.698 4.444 1.00 0.00 H new ATOM 0 HB2 SER A 48 -3.149 18.997 2.758 1.00 0.00 H new ATOM 0 HB3 SER A 48 -4.745 19.068 2.036 1.00 0.00 H new ATOM 0 HG SER A 48 -4.240 21.482 1.869 1.00 0.00 H new ATOM 727 N ALA A 49 -6.745 20.991 4.580 1.00 0.00 N ATOM 728 CA ALA A 49 -7.948 21.806 4.463 1.00 0.00 C ATOM 729 C ALA A 49 -8.278 22.493 5.783 1.00 0.00 C ATOM 730 O ALA A 49 -8.672 23.659 5.806 1.00 0.00 O ATOM 731 CB ALA A 49 -9.121 20.952 4.003 1.00 0.00 C ATOM 0 H ALA A 49 -6.711 20.406 5.415 1.00 0.00 H new ATOM 0 HA ALA A 49 -7.761 22.580 3.718 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -10.013 21.573 3.920 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -8.893 20.513 3.032 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -9.299 20.157 4.728 1.00 0.00 H new ATOM 737 N ILE A 50 -8.114 21.763 6.882 1.00 0.00 N ATOM 738 CA ILE A 50 -8.394 22.303 8.206 1.00 0.00 C ATOM 739 C ILE A 50 -7.675 23.631 8.421 1.00 0.00 C ATOM 740 O ILE A 50 -6.455 23.718 8.280 1.00 0.00 O ATOM 741 CB ILE A 50 -7.975 21.320 9.315 1.00 0.00 C ATOM 742 CG1 ILE A 50 -8.706 19.986 9.147 1.00 0.00 C ATOM 743 CG2 ILE A 50 -8.258 21.916 10.686 1.00 0.00 C ATOM 744 CD1 ILE A 50 -8.335 18.958 10.192 1.00 0.00 C ATOM 0 H ILE A 50 -7.789 20.796 6.881 1.00 0.00 H new ATOM 0 HA ILE A 50 -9.471 22.462 8.261 1.00 0.00 H new ATOM 0 HB ILE A 50 -6.903 21.139 9.233 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -9.781 20.162 9.188 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -8.487 19.583 8.158 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -7.956 21.209 11.459 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -7.697 22.843 10.803 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -9.324 22.123 10.780 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -8.891 18.038 10.011 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -7.266 18.753 10.137 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -8.580 19.341 11.183 1.00 0.00 H new ATOM 756 N ASP A 51 -8.439 24.662 8.766 1.00 0.00 N ATOM 757 CA ASP A 51 -7.874 25.985 9.004 1.00 0.00 C ATOM 758 C ASP A 51 -7.546 26.178 10.481 1.00 0.00 C ATOM 759 O ASP A 51 -8.348 26.722 11.240 1.00 0.00 O ATOM 760 CB ASP A 51 -8.848 27.069 8.539 1.00 0.00 C ATOM 761 CG ASP A 51 -8.915 27.179 7.029 1.00 0.00 C ATOM 762 OD1 ASP A 51 -7.850 27.100 6.380 1.00 0.00 O ATOM 763 OD2 ASP A 51 -10.032 27.342 6.495 1.00 0.00 O ATOM 0 H ASP A 51 -9.450 24.607 8.887 1.00 0.00 H new ATOM 0 HA ASP A 51 -6.950 26.067 8.432 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -9.842 26.851 8.929 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -8.545 28.029 8.957 1.00 0.00 H new ATOM 768 N PHE A 52 -6.362 25.727 10.883 1.00 0.00 N ATOM 769 CA PHE A 52 -5.929 25.848 12.270 1.00 0.00 C ATOM 770 C PHE A 52 -5.990 27.301 12.734 1.00 0.00 C ATOM 771 O PHE A 52 -6.141 27.578 13.924 1.00 0.00 O ATOM 772 CB PHE A 52 -4.506 25.309 12.430 1.00 0.00 C ATOM 773 CG PHE A 52 -4.389 23.836 12.160 1.00 0.00 C ATOM 774 CD1 PHE A 52 -4.563 22.916 13.181 1.00 0.00 C ATOM 775 CD2 PHE A 52 -4.104 23.373 10.886 1.00 0.00 C ATOM 776 CE1 PHE A 52 -4.456 21.559 12.936 1.00 0.00 C ATOM 777 CE2 PHE A 52 -3.997 22.018 10.635 1.00 0.00 C ATOM 778 CZ PHE A 52 -4.172 21.110 11.662 1.00 0.00 C ATOM 0 H PHE A 52 -5.686 25.275 10.268 1.00 0.00 H new ATOM 0 HA PHE A 52 -6.606 25.259 12.889 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -3.844 25.848 11.753 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -4.161 25.513 13.443 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -4.785 23.262 14.180 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -3.964 24.078 10.080 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -4.594 20.852 13.740 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -3.777 21.669 9.637 1.00 0.00 H new ATOM 0 HZ PHE A 52 -4.087 20.051 11.468 1.00 0.00 H new ATOM 788 N SER A 53 -5.870 28.224 11.785 1.00 0.00 N ATOM 789 CA SER A 53 -5.907 29.649 12.096 1.00 0.00 C ATOM 790 C SER A 53 -7.320 30.087 12.468 1.00 0.00 C ATOM 791 O SER A 53 -7.507 31.014 13.256 1.00 0.00 O ATOM 792 CB SER A 53 -5.404 30.466 10.905 1.00 0.00 C ATOM 793 OG SER A 53 -4.059 30.869 11.094 1.00 0.00 O ATOM 0 H SER A 53 -5.746 28.011 10.795 1.00 0.00 H new ATOM 0 HA SER A 53 -5.254 29.826 12.950 1.00 0.00 H new ATOM 0 HB2 SER A 53 -5.485 29.873 9.994 1.00 0.00 H new ATOM 0 HB3 SER A 53 -6.035 31.345 10.771 1.00 0.00 H new ATOM 0 HG SER A 53 -3.761 31.388 10.318 1.00 0.00 H new ATOM 799 N ARG A 54 -8.312 29.413 11.895 1.00 0.00 N ATOM 800 CA ARG A 54 -9.708 29.733 12.164 1.00 0.00 C ATOM 801 C ARG A 54 -10.141 29.182 13.519 1.00 0.00 C ATOM 802 O ARG A 54 -11.055 29.711 14.153 1.00 0.00 O ATOM 803 CB ARG A 54 -10.605 29.167 11.061 1.00 0.00 C ATOM 804 CG ARG A 54 -10.773 30.100 9.873 1.00 0.00 C ATOM 805 CD ARG A 54 -12.114 30.816 9.913 1.00 0.00 C ATOM 806 NE ARG A 54 -12.028 32.102 10.598 1.00 0.00 N ATOM 807 CZ ARG A 54 -11.377 33.153 10.111 1.00 0.00 C ATOM 808 NH1 ARG A 54 -10.759 33.069 8.941 1.00 0.00 N ATOM 809 NH2 ARG A 54 -11.343 34.289 10.795 1.00 0.00 N ATOM 0 H ARG A 54 -8.174 28.642 11.242 1.00 0.00 H new ATOM 0 HA ARG A 54 -9.808 30.818 12.184 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -10.187 28.222 10.714 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -11.587 28.946 11.480 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -9.967 30.834 9.869 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -10.691 29.531 8.947 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -12.473 30.971 8.895 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -12.847 30.185 10.417 1.00 0.00 H new ATOM 0 HE ARG A 54 -12.493 32.199 11.500 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -10.783 32.197 8.413 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -10.260 33.877 8.569 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -11.817 34.356 11.696 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -10.843 35.095 10.420 1.00 0.00 H new ATOM 823 N CYS A 55 -9.479 28.117 13.958 1.00 0.00 N ATOM 824 CA CYS A 55 -9.795 27.493 15.238 1.00 0.00 C ATOM 825 C CYS A 55 -9.409 28.405 16.397 1.00 0.00 C ATOM 826 O CYS A 55 -8.309 28.303 16.941 1.00 0.00 O ATOM 827 CB CYS A 55 -9.074 26.151 15.366 1.00 0.00 C ATOM 828 SG CYS A 55 -9.240 25.082 13.918 1.00 0.00 S ATOM 0 H CYS A 55 -8.720 27.668 13.446 1.00 0.00 H new ATOM 0 HA CYS A 55 -10.871 27.324 15.276 1.00 0.00 H new ATOM 0 HB2 CYS A 55 -8.015 26.336 15.548 1.00 0.00 H new ATOM 0 HB3 CYS A 55 -9.461 25.625 16.239 1.00 0.00 H new ATOM 0 HG CYS A 55 -8.866 25.730 12.855 1.00 0.00 H new ATOM 834 N ASP A 56 -10.319 29.298 16.770 1.00 0.00 N ATOM 835 CA ASP A 56 -10.074 30.229 17.865 1.00 0.00 C ATOM 836 C ASP A 56 -10.884 29.843 19.099 1.00 0.00 C ATOM 837 O ASP A 56 -10.943 30.591 20.074 1.00 0.00 O ATOM 838 CB ASP A 56 -10.422 31.656 17.437 1.00 0.00 C ATOM 839 CG ASP A 56 -9.191 32.523 17.260 1.00 0.00 C ATOM 840 OD1 ASP A 56 -8.257 32.091 16.552 1.00 0.00 O ATOM 841 OD2 ASP A 56 -9.163 33.635 17.829 1.00 0.00 O ATOM 0 H ASP A 56 -11.234 29.397 16.330 1.00 0.00 H new ATOM 0 HA ASP A 56 -9.015 30.182 18.119 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -10.979 31.626 16.501 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -11.076 32.107 18.183 1.00 0.00 H new ATOM 846 N MET A 57 -11.508 28.671 19.047 1.00 0.00 N ATOM 847 CA MET A 57 -12.315 28.186 20.161 1.00 0.00 C ATOM 848 C MET A 57 -11.429 27.727 21.315 1.00 0.00 C ATOM 849 O MET A 57 -10.209 27.883 21.273 1.00 0.00 O ATOM 850 CB MET A 57 -13.214 27.035 19.704 1.00 0.00 C ATOM 851 CG MET A 57 -13.920 27.303 18.385 1.00 0.00 C ATOM 852 SD MET A 57 -13.191 26.391 17.010 1.00 0.00 S ATOM 853 CE MET A 57 -14.661 25.749 16.213 1.00 0.00 C ATOM 0 H MET A 57 -11.471 28.040 18.246 1.00 0.00 H new ATOM 0 HA MET A 57 -12.939 29.009 20.510 1.00 0.00 H new ATOM 0 HB2 MET A 57 -12.613 26.131 19.608 1.00 0.00 H new ATOM 0 HB3 MET A 57 -13.961 26.840 20.474 1.00 0.00 H new ATOM 0 HG2 MET A 57 -14.972 27.032 18.479 1.00 0.00 H new ATOM 0 HG3 MET A 57 -13.884 28.371 18.168 1.00 0.00 H new ATOM 0 HE1 MET A 57 -14.376 25.008 15.466 1.00 0.00 H new ATOM 0 HE2 MET A 57 -15.305 25.283 16.959 1.00 0.00 H new ATOM 0 HE3 MET A 57 -15.198 26.565 15.728 1.00 0.00 H new ATOM 863 N ASP A 58 -12.051 27.162 22.344 1.00 0.00 N ATOM 864 CA ASP A 58 -11.319 26.679 23.509 1.00 0.00 C ATOM 865 C ASP A 58 -11.846 25.321 23.958 1.00 0.00 C ATOM 866 O ASP A 58 -11.076 24.389 24.189 1.00 0.00 O ATOM 867 CB ASP A 58 -11.423 27.686 24.656 1.00 0.00 C ATOM 868 CG ASP A 58 -12.860 27.993 25.028 1.00 0.00 C ATOM 869 OD1 ASP A 58 -13.470 28.865 24.372 1.00 0.00 O ATOM 870 OD2 ASP A 58 -13.376 27.361 25.973 1.00 0.00 O ATOM 0 H ASP A 58 -13.061 27.027 22.395 1.00 0.00 H new ATOM 0 HA ASP A 58 -10.272 26.566 23.228 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -10.901 27.294 25.529 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -10.919 28.610 24.372 1.00 0.00 H new ATOM 875 N GLY A 59 -13.166 25.215 24.082 1.00 0.00 N ATOM 876 CA GLY A 59 -13.774 23.967 24.505 1.00 0.00 C ATOM 877 C GLY A 59 -15.288 24.039 24.532 1.00 0.00 C ATOM 878 O GLY A 59 -15.964 23.287 23.830 1.00 0.00 O ATOM 0 H GLY A 59 -13.825 25.971 23.897 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -13.463 23.168 23.831 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -13.408 23.706 25.498 1.00 0.00 H new ATOM 882 N ALA A 60 -15.821 24.945 25.344 1.00 0.00 N ATOM 883 CA ALA A 60 -17.265 25.113 25.459 1.00 0.00 C ATOM 884 C ALA A 60 -17.864 25.625 24.154 1.00 0.00 C ATOM 885 O ALA A 60 -19.042 25.407 23.871 1.00 0.00 O ATOM 886 CB ALA A 60 -17.597 26.061 26.602 1.00 0.00 C ATOM 0 H ALA A 60 -15.275 25.574 25.932 1.00 0.00 H new ATOM 0 HA ALA A 60 -17.703 24.138 25.671 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -18.678 26.177 26.676 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -17.211 25.654 27.536 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -17.140 27.032 26.413 1.00 0.00 H new ATOM 892 N THR A 61 -17.044 26.308 23.360 1.00 0.00 N ATOM 893 CA THR A 61 -17.494 26.853 22.085 1.00 0.00 C ATOM 894 C THR A 61 -17.539 25.772 21.010 1.00 0.00 C ATOM 895 O THR A 61 -18.311 25.864 20.055 1.00 0.00 O ATOM 896 CB THR A 61 -16.578 27.996 21.609 1.00 0.00 C ATOM 897 OG1 THR A 61 -16.489 29.006 22.620 1.00 0.00 O ATOM 898 CG2 THR A 61 -17.102 28.608 20.318 1.00 0.00 C ATOM 0 H THR A 61 -16.066 26.497 23.578 1.00 0.00 H new ATOM 0 HA THR A 61 -18.499 27.244 22.245 1.00 0.00 H new ATOM 0 HB THR A 61 -15.587 27.583 21.421 1.00 0.00 H new ATOM 0 HG1 THR A 61 -15.903 29.728 22.310 1.00 0.00 H new ATOM 0 HG21 THR A 61 -16.439 29.413 20.001 1.00 0.00 H new ATOM 0 HG22 THR A 61 -17.141 27.843 19.542 1.00 0.00 H new ATOM 0 HG23 THR A 61 -18.103 29.007 20.484 1.00 0.00 H new ATOM 906 N LEU A 62 -16.708 24.748 21.172 1.00 0.00 N ATOM 907 CA LEU A 62 -16.654 23.648 20.216 1.00 0.00 C ATOM 908 C LEU A 62 -17.872 22.741 20.359 1.00 0.00 C ATOM 909 O LEU A 62 -18.572 22.466 19.384 1.00 0.00 O ATOM 910 CB LEU A 62 -15.373 22.836 20.414 1.00 0.00 C ATOM 911 CG LEU A 62 -15.093 21.757 19.367 1.00 0.00 C ATOM 912 CD1 LEU A 62 -14.568 22.382 18.084 1.00 0.00 C ATOM 913 CD2 LEU A 62 -14.105 20.734 19.907 1.00 0.00 C ATOM 0 H LEU A 62 -16.062 24.657 21.956 1.00 0.00 H new ATOM 0 HA LEU A 62 -16.656 24.072 19.212 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -14.529 23.525 20.431 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -15.416 22.361 21.394 1.00 0.00 H new ATOM 0 HG LEU A 62 -16.028 21.245 19.141 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -14.374 21.599 17.351 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -15.309 23.076 17.687 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -13.643 22.920 18.293 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -13.917 19.974 19.149 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -13.169 21.231 20.162 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -14.520 20.263 20.798 1.00 0.00 H new ATOM 925 N CYS A 63 -18.120 22.282 21.581 1.00 0.00 N ATOM 926 CA CYS A 63 -19.255 21.407 21.853 1.00 0.00 C ATOM 927 C CYS A 63 -20.572 22.124 21.579 1.00 0.00 C ATOM 928 O CYS A 63 -21.584 21.492 21.279 1.00 0.00 O ATOM 929 CB CYS A 63 -19.216 20.922 23.303 1.00 0.00 C ATOM 930 SG CYS A 63 -19.516 22.222 24.524 1.00 0.00 S ATOM 0 H CYS A 63 -17.551 22.501 22.399 1.00 0.00 H new ATOM 0 HA CYS A 63 -19.186 20.546 21.188 1.00 0.00 H new ATOM 0 HB2 CYS A 63 -19.961 20.137 23.433 1.00 0.00 H new ATOM 0 HB3 CYS A 63 -18.243 20.472 23.498 1.00 0.00 H new ATOM 0 HG CYS A 63 -19.267 23.382 23.993 1.00 0.00 H new ATOM 936 N ASN A 64 -20.552 23.449 21.686 1.00 0.00 N ATOM 937 CA ASN A 64 -21.746 24.253 21.452 1.00 0.00 C ATOM 938 C ASN A 64 -21.850 24.660 19.985 1.00 0.00 C ATOM 939 O ASN A 64 -22.943 24.903 19.473 1.00 0.00 O ATOM 940 CB ASN A 64 -21.729 25.500 22.339 1.00 0.00 C ATOM 941 CG ASN A 64 -22.180 25.207 23.757 1.00 0.00 C ATOM 942 OD1 ASN A 64 -22.515 24.071 24.091 1.00 0.00 O ATOM 943 ND2 ASN A 64 -22.191 26.235 24.598 1.00 0.00 N ATOM 0 H ASN A 64 -19.722 23.988 21.933 1.00 0.00 H new ATOM 0 HA ASN A 64 -22.616 23.647 21.705 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -20.721 25.914 22.360 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -22.377 26.261 21.904 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -22.486 26.100 25.565 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -21.905 27.160 24.277 1.00 0.00 H new ATOM 950 N CYS A 65 -20.705 24.731 19.315 1.00 0.00 N ATOM 951 CA CYS A 65 -20.666 25.108 17.907 1.00 0.00 C ATOM 952 C CYS A 65 -21.629 24.255 17.088 1.00 0.00 C ATOM 953 O CYS A 65 -21.924 23.115 17.448 1.00 0.00 O ATOM 954 CB CYS A 65 -19.246 24.966 17.358 1.00 0.00 C ATOM 955 SG CYS A 65 -18.419 26.540 17.031 1.00 0.00 S ATOM 0 H CYS A 65 -19.792 24.533 19.724 1.00 0.00 H new ATOM 0 HA CYS A 65 -20.975 26.150 17.827 1.00 0.00 H new ATOM 0 HB2 CYS A 65 -18.649 24.395 18.069 1.00 0.00 H new ATOM 0 HB3 CYS A 65 -19.281 24.388 16.435 1.00 0.00 H new ATOM 0 HG CYS A 65 -17.435 26.349 16.204 1.00 0.00 H new ATOM 961 N ALA A 66 -22.116 24.814 15.985 1.00 0.00 N ATOM 962 CA ALA A 66 -23.046 24.104 15.115 1.00 0.00 C ATOM 963 C ALA A 66 -22.309 23.122 14.210 1.00 0.00 C ATOM 964 O ALA A 66 -21.108 23.259 13.975 1.00 0.00 O ATOM 965 CB ALA A 66 -23.849 25.092 14.282 1.00 0.00 C ATOM 0 H ALA A 66 -21.882 25.756 15.673 1.00 0.00 H new ATOM 0 HA ALA A 66 -23.731 23.535 15.743 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -24.539 24.548 13.637 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -24.413 25.751 14.942 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -23.171 25.686 13.669 1.00 0.00 H new ATOM 971 N LEU A 67 -23.036 22.131 13.705 1.00 0.00 N ATOM 972 CA LEU A 67 -22.451 21.125 12.826 1.00 0.00 C ATOM 973 C LEU A 67 -21.758 21.779 11.635 1.00 0.00 C ATOM 974 O LEU A 67 -20.556 21.609 11.434 1.00 0.00 O ATOM 975 CB LEU A 67 -23.530 20.159 12.334 1.00 0.00 C ATOM 976 CG LEU A 67 -23.161 19.297 11.127 1.00 0.00 C ATOM 977 CD1 LEU A 67 -21.848 18.570 11.371 1.00 0.00 C ATOM 978 CD2 LEU A 67 -24.273 18.305 10.819 1.00 0.00 C ATOM 0 H LEU A 67 -24.031 22.003 13.889 1.00 0.00 H new ATOM 0 HA LEU A 67 -21.707 20.569 13.396 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -23.800 19.498 13.158 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -24.420 20.737 12.084 1.00 0.00 H new ATOM 0 HG LEU A 67 -23.036 19.951 10.264 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -21.602 17.961 10.501 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -21.055 19.298 11.541 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -21.945 17.928 12.247 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -23.992 17.700 9.957 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -24.431 17.657 11.681 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -25.193 18.847 10.598 1.00 0.00 H new ATOM 990 N GLU A 68 -22.524 22.529 10.849 1.00 0.00 N ATOM 991 CA GLU A 68 -21.983 23.210 9.679 1.00 0.00 C ATOM 992 C GLU A 68 -20.751 24.031 10.049 1.00 0.00 C ATOM 993 O GLU A 68 -19.823 24.169 9.252 1.00 0.00 O ATOM 994 CB GLU A 68 -23.044 24.117 9.052 1.00 0.00 C ATOM 995 CG GLU A 68 -23.458 25.276 9.944 1.00 0.00 C ATOM 996 CD GLU A 68 -24.617 26.068 9.371 1.00 0.00 C ATOM 997 OE1 GLU A 68 -24.415 26.768 8.357 1.00 0.00 O ATOM 998 OE2 GLU A 68 -25.727 25.987 9.938 1.00 0.00 O ATOM 0 H GLU A 68 -23.521 22.680 11.001 1.00 0.00 H new ATOM 0 HA GLU A 68 -21.689 22.452 8.953 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -22.662 24.512 8.111 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -23.925 23.521 8.813 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -23.735 24.893 10.926 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -22.606 25.940 10.090 1.00 0.00 H new ATOM 1005 N GLU A 69 -20.750 24.573 11.263 1.00 0.00 N ATOM 1006 CA GLU A 69 -19.633 25.381 11.738 1.00 0.00 C ATOM 1007 C GLU A 69 -18.345 24.563 11.770 1.00 0.00 C ATOM 1008 O GLU A 69 -17.307 24.998 11.269 1.00 0.00 O ATOM 1009 CB GLU A 69 -19.932 25.936 13.132 1.00 0.00 C ATOM 1010 CG GLU A 69 -20.083 27.447 13.166 1.00 0.00 C ATOM 1011 CD GLU A 69 -20.291 27.981 14.570 1.00 0.00 C ATOM 1012 OE1 GLU A 69 -20.953 27.294 15.375 1.00 0.00 O ATOM 1013 OE2 GLU A 69 -19.791 29.088 14.863 1.00 0.00 O ATOM 0 H GLU A 69 -21.510 24.467 11.935 1.00 0.00 H new ATOM 0 HA GLU A 69 -19.499 26.212 11.045 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -20.848 25.479 13.507 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -19.130 25.644 13.810 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -19.194 27.907 12.734 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -20.928 27.738 12.542 1.00 0.00 H new ATOM 1020 N LEU A 70 -18.419 23.376 12.362 1.00 0.00 N ATOM 1021 CA LEU A 70 -17.260 22.496 12.461 1.00 0.00 C ATOM 1022 C LEU A 70 -16.750 22.110 11.076 1.00 0.00 C ATOM 1023 O LEU A 70 -15.545 21.978 10.862 1.00 0.00 O ATOM 1024 CB LEU A 70 -17.616 21.238 13.255 1.00 0.00 C ATOM 1025 CG LEU A 70 -18.315 21.466 14.596 1.00 0.00 C ATOM 1026 CD1 LEU A 70 -18.900 20.165 15.121 1.00 0.00 C ATOM 1027 CD2 LEU A 70 -17.348 22.065 15.607 1.00 0.00 C ATOM 0 H LEU A 70 -19.270 23.001 12.781 1.00 0.00 H new ATOM 0 HA LEU A 70 -16.469 23.035 12.982 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -18.257 20.611 12.636 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -16.700 20.676 13.436 1.00 0.00 H new ATOM 0 HG LEU A 70 -19.132 22.172 14.443 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -19.393 20.347 16.076 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -19.626 19.778 14.406 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -18.101 19.436 15.258 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -17.863 22.220 16.555 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -16.510 21.384 15.756 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -16.978 23.020 15.235 1.00 0.00 H new ATOM 1039 N ARG A 71 -17.676 21.931 10.139 1.00 0.00 N ATOM 1040 CA ARG A 71 -17.320 21.561 8.775 1.00 0.00 C ATOM 1041 C ARG A 71 -16.743 22.755 8.020 1.00 0.00 C ATOM 1042 O ARG A 71 -16.130 22.598 6.963 1.00 0.00 O ATOM 1043 CB ARG A 71 -18.545 21.020 8.034 1.00 0.00 C ATOM 1044 CG ARG A 71 -19.149 19.784 8.679 1.00 0.00 C ATOM 1045 CD ARG A 71 -20.665 19.778 8.560 1.00 0.00 C ATOM 1046 NE ARG A 71 -21.106 19.973 7.181 1.00 0.00 N ATOM 1047 CZ ARG A 71 -20.970 19.056 6.229 1.00 0.00 C ATOM 1048 NH1 ARG A 71 -20.409 17.887 6.505 1.00 0.00 N ATOM 1049 NH2 ARG A 71 -21.397 19.308 4.998 1.00 0.00 N ATOM 0 H ARG A 71 -18.678 22.036 10.300 1.00 0.00 H new ATOM 0 HA ARG A 71 -16.559 20.782 8.824 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -19.304 21.801 7.984 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -18.263 20.783 7.008 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -18.742 18.890 8.206 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -18.865 19.746 9.731 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -21.054 18.831 8.935 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -21.081 20.565 9.189 1.00 0.00 H new ATOM 0 HE ARG A 71 -21.542 20.862 6.935 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -20.080 17.689 7.450 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -20.306 17.185 5.772 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -21.830 20.206 4.782 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -21.292 18.604 4.268 1.00 0.00 H new ATOM 1063 N LEU A 72 -16.943 23.948 8.570 1.00 0.00 N ATOM 1064 CA LEU A 72 -16.443 25.170 7.949 1.00 0.00 C ATOM 1065 C LEU A 72 -15.065 25.532 8.492 1.00 0.00 C ATOM 1066 O LEU A 72 -14.319 26.288 7.869 1.00 0.00 O ATOM 1067 CB LEU A 72 -17.418 26.324 8.189 1.00 0.00 C ATOM 1068 CG LEU A 72 -18.141 26.860 6.954 1.00 0.00 C ATOM 1069 CD1 LEU A 72 -19.524 26.238 6.832 1.00 0.00 C ATOM 1070 CD2 LEU A 72 -18.240 28.378 7.010 1.00 0.00 C ATOM 0 H LEU A 72 -17.448 24.095 9.444 1.00 0.00 H new ATOM 0 HA LEU A 72 -16.356 24.994 6.877 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -18.167 25.996 8.910 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -16.870 27.146 8.650 1.00 0.00 H new ATOM 0 HG LEU A 72 -17.563 26.586 6.072 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -20.023 26.632 5.947 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -19.430 25.156 6.744 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -20.111 26.480 7.718 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -18.758 28.742 6.122 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -18.795 28.674 7.900 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -17.239 28.807 7.047 1.00 0.00 H new ATOM 1082 N VAL A 73 -14.732 24.987 9.658 1.00 0.00 N ATOM 1083 CA VAL A 73 -13.441 25.249 10.284 1.00 0.00 C ATOM 1084 C VAL A 73 -12.477 24.089 10.064 1.00 0.00 C ATOM 1085 O VAL A 73 -11.283 24.293 9.843 1.00 0.00 O ATOM 1086 CB VAL A 73 -13.592 25.498 11.797 1.00 0.00 C ATOM 1087 CG1 VAL A 73 -12.233 25.735 12.437 1.00 0.00 C ATOM 1088 CG2 VAL A 73 -14.523 26.673 12.053 1.00 0.00 C ATOM 0 H VAL A 73 -15.338 24.361 10.188 1.00 0.00 H new ATOM 0 HA VAL A 73 -13.037 26.146 9.814 1.00 0.00 H new ATOM 0 HB VAL A 73 -14.031 24.610 12.252 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -12.359 25.909 13.506 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -11.601 24.860 12.284 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -11.763 26.606 11.981 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -14.618 26.835 13.127 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -14.115 27.569 11.586 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -15.504 26.458 11.630 1.00 0.00 H new ATOM 1098 N PHE A 74 -13.003 22.870 10.126 1.00 0.00 N ATOM 1099 CA PHE A 74 -12.189 21.676 9.934 1.00 0.00 C ATOM 1100 C PHE A 74 -12.448 21.056 8.564 1.00 0.00 C ATOM 1101 O PHE A 74 -12.214 19.866 8.354 1.00 0.00 O ATOM 1102 CB PHE A 74 -12.480 20.652 11.033 1.00 0.00 C ATOM 1103 CG PHE A 74 -12.604 21.260 12.401 1.00 0.00 C ATOM 1104 CD1 PHE A 74 -11.511 21.856 13.009 1.00 0.00 C ATOM 1105 CD2 PHE A 74 -13.812 21.235 13.078 1.00 0.00 C ATOM 1106 CE1 PHE A 74 -11.622 22.415 14.268 1.00 0.00 C ATOM 1107 CE2 PHE A 74 -13.929 21.793 14.337 1.00 0.00 C ATOM 1108 CZ PHE A 74 -12.833 22.385 14.932 1.00 0.00 C ATOM 0 H PHE A 74 -13.989 22.683 10.308 1.00 0.00 H new ATOM 0 HA PHE A 74 -11.141 21.969 9.989 1.00 0.00 H new ATOM 0 HB2 PHE A 74 -13.404 20.126 10.793 1.00 0.00 H new ATOM 0 HB3 PHE A 74 -11.683 19.908 11.046 1.00 0.00 H new ATOM 0 HD1 PHE A 74 -10.562 21.884 12.494 1.00 0.00 H new ATOM 0 HD2 PHE A 74 -14.673 20.774 12.617 1.00 0.00 H new ATOM 0 HE1 PHE A 74 -10.762 22.875 14.733 1.00 0.00 H new ATOM 0 HE2 PHE A 74 -14.877 21.766 14.855 1.00 0.00 H new ATOM 0 HZ PHE A 74 -12.922 22.824 15.915 1.00 0.00 H new ATOM 1118 N GLY A 75 -12.933 21.872 7.633 1.00 0.00 N ATOM 1119 CA GLY A 75 -13.216 21.387 6.295 1.00 0.00 C ATOM 1120 C GLY A 75 -14.246 20.275 6.288 1.00 0.00 C ATOM 1121 O GLY A 75 -15.133 20.216 7.139 1.00 0.00 O ATOM 0 H GLY A 75 -13.135 22.861 7.782 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -13.573 22.213 5.680 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -12.294 21.027 5.840 1.00 0.00 H new ATOM 1125 N PRO A 76 -14.136 19.367 5.306 1.00 0.00 N ATOM 1126 CA PRO A 76 -15.058 18.236 5.167 1.00 0.00 C ATOM 1127 C PRO A 76 -14.880 17.204 6.275 1.00 0.00 C ATOM 1128 O PRO A 76 -15.656 16.253 6.383 1.00 0.00 O ATOM 1129 CB PRO A 76 -14.681 17.636 3.811 1.00 0.00 C ATOM 1130 CG PRO A 76 -13.259 18.030 3.604 1.00 0.00 C ATOM 1131 CD PRO A 76 -13.104 19.376 4.257 1.00 0.00 C ATOM 0 HA PRO A 76 -16.100 18.548 5.235 1.00 0.00 H new ATOM 0 HB2 PRO A 76 -14.795 16.552 3.812 1.00 0.00 H new ATOM 0 HB3 PRO A 76 -15.319 18.023 3.016 1.00 0.00 H new ATOM 0 HG2 PRO A 76 -12.583 17.300 4.049 1.00 0.00 H new ATOM 0 HG3 PRO A 76 -13.019 18.081 2.542 1.00 0.00 H new ATOM 0 HD2 PRO A 76 -12.106 19.507 4.676 1.00 0.00 H new ATOM 0 HD3 PRO A 76 -13.260 20.188 3.547 1.00 0.00 H new ATOM 1139 N LEU A 77 -13.853 17.395 7.096 1.00 0.00 N ATOM 1140 CA LEU A 77 -13.573 16.480 8.197 1.00 0.00 C ATOM 1141 C LEU A 77 -14.544 16.704 9.352 1.00 0.00 C ATOM 1142 O LEU A 77 -14.781 15.808 10.160 1.00 0.00 O ATOM 1143 CB LEU A 77 -12.134 16.662 8.684 1.00 0.00 C ATOM 1144 CG LEU A 77 -11.665 15.692 9.769 1.00 0.00 C ATOM 1145 CD1 LEU A 77 -11.931 14.254 9.350 1.00 0.00 C ATOM 1146 CD2 LEU A 77 -10.187 15.898 10.066 1.00 0.00 C ATOM 0 H LEU A 77 -13.200 18.175 7.020 1.00 0.00 H new ATOM 0 HA LEU A 77 -13.701 15.461 7.831 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -11.467 16.567 7.827 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -12.025 17.679 9.062 1.00 0.00 H new ATOM 0 HG LEU A 77 -12.229 15.894 10.679 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -11.591 13.578 10.134 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -13.000 14.114 9.188 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -11.393 14.039 8.427 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -9.871 15.199 10.840 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -9.606 15.723 9.160 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -10.024 16.919 10.410 1.00 0.00 H new ATOM 1158 N GLY A 78 -15.106 17.907 9.421 1.00 0.00 N ATOM 1159 CA GLY A 78 -16.047 18.227 10.479 1.00 0.00 C ATOM 1160 C GLY A 78 -17.163 17.207 10.590 1.00 0.00 C ATOM 1161 O GLY A 78 -17.573 16.843 11.692 1.00 0.00 O ATOM 0 H GLY A 78 -14.927 18.666 8.763 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -15.515 18.284 11.429 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -16.476 19.212 10.294 1.00 0.00 H new ATOM 1165 N ASP A 79 -17.657 16.746 9.446 1.00 0.00 N ATOM 1166 CA ASP A 79 -18.733 15.762 9.419 1.00 0.00 C ATOM 1167 C ASP A 79 -18.386 14.553 10.282 1.00 0.00 C ATOM 1168 O ASP A 79 -19.270 13.897 10.830 1.00 0.00 O ATOM 1169 CB ASP A 79 -19.009 15.317 7.982 1.00 0.00 C ATOM 1170 CG ASP A 79 -20.481 15.054 7.730 1.00 0.00 C ATOM 1171 OD1 ASP A 79 -21.317 15.841 8.220 1.00 0.00 O ATOM 1172 OD2 ASP A 79 -20.797 14.060 7.043 1.00 0.00 O ATOM 0 H ASP A 79 -17.329 17.038 8.525 1.00 0.00 H new ATOM 0 HA ASP A 79 -19.630 16.229 9.825 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -18.657 16.085 7.293 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -18.440 14.412 7.769 1.00 0.00 H new ATOM 1177 N GLN A 80 -17.093 14.265 10.395 1.00 0.00 N ATOM 1178 CA GLN A 80 -16.630 13.134 11.190 1.00 0.00 C ATOM 1179 C GLN A 80 -16.361 13.555 12.631 1.00 0.00 C ATOM 1180 O GLN A 80 -16.676 12.824 13.571 1.00 0.00 O ATOM 1181 CB GLN A 80 -15.363 12.536 10.575 1.00 0.00 C ATOM 1182 CG GLN A 80 -15.612 11.788 9.276 1.00 0.00 C ATOM 1183 CD GLN A 80 -16.741 10.782 9.389 1.00 0.00 C ATOM 1184 OE1 GLN A 80 -16.621 9.773 10.084 1.00 0.00 O ATOM 1185 NE2 GLN A 80 -17.846 11.052 8.704 1.00 0.00 N ATOM 0 H GLN A 80 -16.348 14.799 9.946 1.00 0.00 H new ATOM 0 HA GLN A 80 -17.415 12.378 11.193 1.00 0.00 H new ATOM 0 HB2 GLN A 80 -14.646 13.336 10.392 1.00 0.00 H new ATOM 0 HB3 GLN A 80 -14.906 11.856 11.294 1.00 0.00 H new ATOM 0 HG2 GLN A 80 -15.846 12.504 8.488 1.00 0.00 H new ATOM 0 HG3 GLN A 80 -14.699 11.272 8.977 1.00 0.00 H new ATOM 0 HE21 GLN A 80 -17.902 11.900 8.140 1.00 0.00 H new ATOM 0 HE22 GLN A 80 -18.639 10.411 8.741 1.00 0.00 H new ATOM 1194 N LEU A 81 -15.776 14.736 12.797 1.00 0.00 N ATOM 1195 CA LEU A 81 -15.464 15.254 14.125 1.00 0.00 C ATOM 1196 C LEU A 81 -16.734 15.455 14.944 1.00 0.00 C ATOM 1197 O LEU A 81 -16.745 15.239 16.156 1.00 0.00 O ATOM 1198 CB LEU A 81 -14.702 16.576 14.011 1.00 0.00 C ATOM 1199 CG LEU A 81 -13.355 16.515 13.291 1.00 0.00 C ATOM 1200 CD1 LEU A 81 -12.887 17.912 12.915 1.00 0.00 C ATOM 1201 CD2 LEU A 81 -12.317 15.819 14.160 1.00 0.00 C ATOM 0 H LEU A 81 -15.508 15.353 12.030 1.00 0.00 H new ATOM 0 HA LEU A 81 -14.838 14.523 14.636 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -15.337 17.294 13.492 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -14.537 16.965 15.016 1.00 0.00 H new ATOM 0 HG LEU A 81 -13.480 15.937 12.375 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -11.927 17.849 12.403 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -13.620 18.376 12.255 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -12.779 18.514 13.817 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -11.364 15.785 13.632 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -12.195 16.370 15.093 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -12.647 14.804 14.379 1.00 0.00 H new ATOM 1213 N HIS A 82 -17.806 15.867 14.274 1.00 0.00 N ATOM 1214 CA HIS A 82 -19.083 16.094 14.939 1.00 0.00 C ATOM 1215 C HIS A 82 -19.575 14.821 15.621 1.00 0.00 C ATOM 1216 O HIS A 82 -19.896 14.825 16.809 1.00 0.00 O ATOM 1217 CB HIS A 82 -20.126 16.583 13.934 1.00 0.00 C ATOM 1218 CG HIS A 82 -21.489 16.771 14.527 1.00 0.00 C ATOM 1219 ND1 HIS A 82 -22.459 15.791 14.508 1.00 0.00 N ATOM 1220 CD2 HIS A 82 -22.040 17.832 15.161 1.00 0.00 C ATOM 1221 CE1 HIS A 82 -23.549 16.242 15.103 1.00 0.00 C ATOM 1222 NE2 HIS A 82 -23.321 17.479 15.508 1.00 0.00 N ATOM 0 H HIS A 82 -17.815 16.050 13.271 1.00 0.00 H new ATOM 0 HA HIS A 82 -18.936 16.860 15.701 1.00 0.00 H new ATOM 0 HB2 HIS A 82 -19.791 17.528 13.507 1.00 0.00 H new ATOM 0 HB3 HIS A 82 -20.191 15.868 13.114 1.00 0.00 H new ATOM 0 HD2 HIS A 82 -21.561 18.780 15.358 1.00 0.00 H new ATOM 0 HE1 HIS A 82 -24.470 15.693 15.236 1.00 0.00 H new ATOM 0 HE2 HIS A 82 -23.988 18.075 15.999 1.00 0.00 H new ATOM 1230 N ALA A 83 -19.632 13.732 14.860 1.00 0.00 N ATOM 1231 CA ALA A 83 -20.082 12.452 15.391 1.00 0.00 C ATOM 1232 C ALA A 83 -19.326 12.088 16.664 1.00 0.00 C ATOM 1233 O ALA A 83 -19.894 11.512 17.591 1.00 0.00 O ATOM 1234 CB ALA A 83 -19.916 11.359 14.345 1.00 0.00 C ATOM 0 H ALA A 83 -19.372 13.712 13.874 1.00 0.00 H new ATOM 0 HA ALA A 83 -21.139 12.543 15.642 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -20.256 10.408 14.755 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -20.507 11.606 13.463 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -18.865 11.279 14.066 1.00 0.00 H new ATOM 1240 N GLN A 84 -18.041 12.429 16.701 1.00 0.00 N ATOM 1241 CA GLN A 84 -17.207 12.136 17.860 1.00 0.00 C ATOM 1242 C GLN A 84 -17.601 13.007 19.048 1.00 0.00 C ATOM 1243 O GLN A 84 -17.971 12.500 20.108 1.00 0.00 O ATOM 1244 CB GLN A 84 -15.731 12.352 17.521 1.00 0.00 C ATOM 1245 CG GLN A 84 -15.166 11.310 16.570 1.00 0.00 C ATOM 1246 CD GLN A 84 -14.310 10.278 17.277 1.00 0.00 C ATOM 1247 OE1 GLN A 84 -13.580 10.597 18.215 1.00 0.00 O ATOM 1248 NE2 GLN A 84 -14.396 9.030 16.829 1.00 0.00 N ATOM 0 H GLN A 84 -17.556 12.908 15.942 1.00 0.00 H new ATOM 0 HA GLN A 84 -17.361 11.092 18.132 1.00 0.00 H new ATOM 0 HB2 GLN A 84 -15.610 13.340 17.077 1.00 0.00 H new ATOM 0 HB3 GLN A 84 -15.150 12.343 18.443 1.00 0.00 H new ATOM 0 HG2 GLN A 84 -15.987 10.807 16.059 1.00 0.00 H new ATOM 0 HG3 GLN A 84 -14.571 11.807 15.804 1.00 0.00 H new ATOM 0 HE21 GLN A 84 -15.014 8.810 16.048 1.00 0.00 H new ATOM 0 HE22 GLN A 84 -13.844 8.292 17.266 1.00 0.00 H new ATOM 1257 N LEU A 85 -17.519 14.320 18.865 1.00 0.00 N ATOM 1258 CA LEU A 85 -17.867 15.263 19.923 1.00 0.00 C ATOM 1259 C LEU A 85 -19.264 14.980 20.467 1.00 0.00 C ATOM 1260 O LEU A 85 -19.554 15.252 21.632 1.00 0.00 O ATOM 1261 CB LEU A 85 -17.793 16.698 19.398 1.00 0.00 C ATOM 1262 CG LEU A 85 -16.413 17.354 19.430 1.00 0.00 C ATOM 1263 CD1 LEU A 85 -16.423 18.659 18.649 1.00 0.00 C ATOM 1264 CD2 LEU A 85 -15.969 17.594 20.866 1.00 0.00 C ATOM 0 H LEU A 85 -17.215 14.756 17.995 1.00 0.00 H new ATOM 0 HA LEU A 85 -17.150 15.142 20.735 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -18.153 16.706 18.369 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -18.479 17.313 19.981 1.00 0.00 H new ATOM 0 HG LEU A 85 -15.700 16.677 18.958 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -15.432 19.111 18.683 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -16.696 18.461 17.612 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -17.149 19.342 19.091 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -14.984 18.062 20.869 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -16.684 18.250 21.363 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -15.920 16.643 21.396 1.00 0.00 H new ATOM 1276 N ARG A 86 -20.125 14.430 19.617 1.00 0.00 N ATOM 1277 CA ARG A 86 -21.490 14.109 20.013 1.00 0.00 C ATOM 1278 C ARG A 86 -21.505 13.012 21.074 1.00 0.00 C ATOM 1279 O ARG A 86 -22.341 13.020 21.978 1.00 0.00 O ATOM 1280 CB ARG A 86 -22.306 13.667 18.796 1.00 0.00 C ATOM 1281 CG ARG A 86 -23.115 14.789 18.166 1.00 0.00 C ATOM 1282 CD ARG A 86 -24.465 14.293 17.672 1.00 0.00 C ATOM 1283 NE ARG A 86 -25.499 15.319 17.782 1.00 0.00 N ATOM 1284 CZ ARG A 86 -26.741 15.162 17.338 1.00 0.00 C ATOM 1285 NH1 ARG A 86 -27.102 14.025 16.758 1.00 0.00 N ATOM 1286 NH2 ARG A 86 -27.625 16.142 17.474 1.00 0.00 N ATOM 0 H ARG A 86 -19.901 14.198 18.649 1.00 0.00 H new ATOM 0 HA ARG A 86 -21.939 15.007 20.437 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -21.631 13.252 18.047 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -22.982 12.866 19.094 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -23.263 15.586 18.895 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -22.557 15.218 17.334 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -24.377 13.977 16.632 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -24.762 13.416 18.247 1.00 0.00 H new ATOM 0 HE ARG A 86 -25.254 16.205 18.224 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -26.425 13.269 16.652 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -28.056 13.907 16.418 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -27.351 17.018 17.920 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -28.578 16.020 17.133 1.00 0.00 H new ATOM 1300 N ASP A 87 -20.575 12.070 20.956 1.00 0.00 N ATOM 1301 CA ASP A 87 -20.481 10.967 21.905 1.00 0.00 C ATOM 1302 C ASP A 87 -19.840 11.427 23.211 1.00 0.00 C ATOM 1303 O ASP A 87 -20.238 10.998 24.295 1.00 0.00 O ATOM 1304 CB ASP A 87 -19.672 9.817 21.303 1.00 0.00 C ATOM 1305 CG ASP A 87 -20.548 8.657 20.871 1.00 0.00 C ATOM 1306 OD1 ASP A 87 -21.054 8.690 19.730 1.00 0.00 O ATOM 1307 OD2 ASP A 87 -20.729 7.718 21.674 1.00 0.00 O ATOM 0 H ASP A 87 -19.876 12.048 20.213 1.00 0.00 H new ATOM 0 HA ASP A 87 -21.491 10.618 22.120 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -19.109 10.183 20.444 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -18.944 9.466 22.035 1.00 0.00 H new ATOM 1312 N LEU A 88 -18.846 12.301 23.101 1.00 0.00 N ATOM 1313 CA LEU A 88 -18.149 12.818 24.273 1.00 0.00 C ATOM 1314 C LEU A 88 -19.116 13.537 25.208 1.00 0.00 C ATOM 1315 O LEU A 88 -18.884 13.621 26.415 1.00 0.00 O ATOM 1316 CB LEU A 88 -17.031 13.771 23.846 1.00 0.00 C ATOM 1317 CG LEU A 88 -15.789 13.119 23.238 1.00 0.00 C ATOM 1318 CD1 LEU A 88 -15.097 14.078 22.281 1.00 0.00 C ATOM 1319 CD2 LEU A 88 -14.831 12.672 24.333 1.00 0.00 C ATOM 0 H LEU A 88 -18.505 12.667 22.212 1.00 0.00 H new ATOM 0 HA LEU A 88 -17.714 11.974 24.809 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -17.439 14.476 23.121 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -16.723 14.351 24.716 1.00 0.00 H new ATOM 0 HG LEU A 88 -16.102 12.239 22.676 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -14.215 13.597 21.858 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -15.783 14.349 21.478 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -14.796 14.976 22.820 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -13.953 12.210 23.882 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -14.524 13.536 24.923 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -15.329 11.950 24.980 1.00 0.00 H new