USER MOD reduce.3.24.130724 H: found=0, std=0, add=985, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 990 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 56 CYS SG : rot -139:sc= 1.29 USER MOD Set 1.2: A 59 CYS SG : rot 180:sc= -0.246 USER MOD Set 1.3: A 74 HIS : no HE2:sc= 0.794 K(o=1.8,f=-5.6!) USER MOD Set 2.1: A 22 MET CE :methyl -105:sc= -1.45 (180deg=-3.67!) USER MOD Set 2.2: B 22 MET CE :methyl 167:sc= -0.446 (180deg=-0.77) USER MOD Set 3.1: A 18 TYR OH : rot 63:sc= -1.5! USER MOD Set 3.2: B 89 SER OG : rot 90:sc= 1.21 USER MOD Single : A 20 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 THR OG1 : rot -14:sc= 0.63 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 THR OG1 : rot 69:sc= 1.39 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 THR OG1 : rot -64:sc= 1.63 USER MOD Single : A 53 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 54 ASN : amide:sc= -4.2! C(o=-4.2!,f=-8.6!) USER MOD Single : A 55 GLN : amide:sc= -2.93! C(o=-2.9!,f=-7.7!) USER MOD Single : A 57 LYS NZ :NH3+ -156:sc= 0.829 (180deg=-0.383!) USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 67 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 68 THR OG1 : rot 180:sc= 0 USER MOD Single : A 78 CYS SG : rot -130:sc= -1.23 USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 GLN : amide:sc= 1.11 K(o=1.1,f=-2.5!) USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 89 SER OG : rot 20:sc= 0.763 USER MOD Single : B 18 TYR OH : rot 66:sc= 0.53 USER MOD Single : B 20 GLN : amide:sc= 0 X(o=0,f=-0.2) USER MOD Single : B 23 THR OG1 : rot 180:sc= 0.121 USER MOD Single : B 25 THR OG1 : rot 180:sc= 0 USER MOD Single : B 32 LYS NZ :NH3+ -168:sc= -0.0159 (180deg=-0.17) USER MOD Single : B 35 THR OG1 : rot 60:sc= 1.15 USER MOD Single : B 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 40 THR OG1 : rot 180:sc= -0.456 USER MOD Single : B 46 SER OG : rot 180:sc= 0 USER MOD Single : B 53 HIS : no HD1:sc= -1.3! K(o=-1.3!,f=-0.77) USER MOD Single : B 54 ASN : amide:sc= -0.758 K(o=-0.76,f=-5.5!) USER MOD Single : B 55 GLN : amide:sc= 0.268 X(o=0.27,f=-0.0091) USER MOD Single : B 56 CYS SG : rot 180:sc= 0.0157 USER MOD Single : B 57 LYS NZ :NH3+ -168:sc= 3.25 (180deg=2.8) USER MOD Single : B 59 CYS SG : rot 114:sc= -1.06! USER MOD Single : B 62 SER OG : rot -100:sc= 0.497 USER MOD Single : B 67 GLN : amide:sc= -0.276 X(o=-0.28,f=0) USER MOD Single : B 68 THR OG1 : rot 180:sc= 0 USER MOD Single : B 74 HIS : no HD1:sc= -0.0657 X(o=-0.066,f=-0.32) USER MOD Single : B 78 CYS SG : rot 180:sc= -0.919 USER MOD Single : B 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 85 GLN : amide:sc= -1.28 K(o=-1.3,f=-0.034) USER MOD Single : B 88 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 239 N LEU A 17 10.221 -6.711 10.226 1.00 0.00 N ATOM 240 CA LEU A 17 9.627 -7.129 11.481 1.00 0.00 C ATOM 241 C LEU A 17 8.124 -6.893 11.435 1.00 0.00 C ATOM 242 O LEU A 17 7.666 -5.815 11.059 1.00 0.00 O ATOM 243 CB LEU A 17 10.294 -6.355 12.626 1.00 0.00 C ATOM 244 CG LEU A 17 10.059 -6.896 14.038 1.00 0.00 C ATOM 245 CD1 LEU A 17 11.195 -6.469 14.953 1.00 0.00 C ATOM 246 CD2 LEU A 17 8.736 -6.399 14.593 1.00 0.00 C ATOM 0 HA LEU A 17 9.788 -8.194 11.649 1.00 0.00 H new ATOM 0 HB2 LEU A 17 11.368 -6.332 12.443 1.00 0.00 H new ATOM 0 HB3 LEU A 17 9.943 -5.324 12.592 1.00 0.00 H new ATOM 0 HG LEU A 17 10.025 -7.984 13.987 1.00 0.00 H new ATOM 0 HD11 LEU A 17 11.020 -6.858 15.956 1.00 0.00 H new ATOM 0 HD12 LEU A 17 12.137 -6.862 14.571 1.00 0.00 H new ATOM 0 HD13 LEU A 17 11.243 -5.381 14.989 1.00 0.00 H new ATOM 0 HD21 LEU A 17 8.591 -6.796 15.597 1.00 0.00 H new ATOM 0 HD22 LEU A 17 8.744 -5.310 14.631 1.00 0.00 H new ATOM 0 HD23 LEU A 17 7.923 -6.734 13.949 1.00 0.00 H new ATOM 258 N TYR A 18 7.356 -7.906 11.799 1.00 0.00 N ATOM 259 CA TYR A 18 5.909 -7.830 11.686 1.00 0.00 C ATOM 260 C TYR A 18 5.266 -7.289 12.953 1.00 0.00 C ATOM 261 O TYR A 18 4.860 -8.037 13.845 1.00 0.00 O ATOM 262 CB TYR A 18 5.321 -9.184 11.330 1.00 0.00 C ATOM 263 CG TYR A 18 3.859 -9.129 10.943 1.00 0.00 C ATOM 264 CD1 TYR A 18 3.477 -8.753 9.662 1.00 0.00 C ATOM 265 CD2 TYR A 18 2.862 -9.449 11.857 1.00 0.00 C ATOM 266 CE1 TYR A 18 2.146 -8.693 9.303 1.00 0.00 C ATOM 267 CE2 TYR A 18 1.528 -9.392 11.504 1.00 0.00 C ATOM 268 CZ TYR A 18 1.176 -9.013 10.226 1.00 0.00 C ATOM 269 OH TYR A 18 -0.149 -8.952 9.871 1.00 0.00 O ATOM 0 H TYR A 18 7.708 -8.787 12.174 1.00 0.00 H new ATOM 0 HA TYR A 18 5.688 -7.130 10.880 1.00 0.00 H new ATOM 0 HB2 TYR A 18 5.890 -9.612 10.505 1.00 0.00 H new ATOM 0 HB3 TYR A 18 5.438 -9.856 12.180 1.00 0.00 H new ATOM 0 HD1 TYR A 18 4.235 -8.503 8.934 1.00 0.00 H new ATOM 0 HD2 TYR A 18 3.135 -9.747 12.859 1.00 0.00 H new ATOM 0 HE1 TYR A 18 1.867 -8.396 8.303 1.00 0.00 H new ATOM 0 HE2 TYR A 18 0.764 -9.643 12.225 1.00 0.00 H new ATOM 0 HH TYR A 18 -0.328 -9.603 9.160 1.00 0.00 H new ATOM 279 N PHE A 19 5.240 -5.976 13.013 1.00 0.00 N ATOM 280 CA PHE A 19 4.490 -5.213 14.016 1.00 0.00 C ATOM 281 C PHE A 19 4.923 -5.488 15.456 1.00 0.00 C ATOM 282 O PHE A 19 5.851 -6.256 15.715 1.00 0.00 O ATOM 283 CB PHE A 19 2.987 -5.440 13.839 1.00 0.00 C ATOM 284 CG PHE A 19 2.467 -4.861 12.552 1.00 0.00 C ATOM 285 CD1 PHE A 19 2.259 -3.497 12.432 1.00 0.00 C ATOM 286 CD2 PHE A 19 2.207 -5.674 11.461 1.00 0.00 C ATOM 287 CE1 PHE A 19 1.801 -2.954 11.247 1.00 0.00 C ATOM 288 CE2 PHE A 19 1.744 -5.137 10.275 1.00 0.00 C ATOM 289 CZ PHE A 19 1.543 -3.776 10.168 1.00 0.00 C ATOM 0 H PHE A 19 5.748 -5.385 12.355 1.00 0.00 H new ATOM 0 HA PHE A 19 4.722 -4.163 13.840 1.00 0.00 H new ATOM 0 HB2 PHE A 19 2.779 -6.510 13.863 1.00 0.00 H new ATOM 0 HB3 PHE A 19 2.454 -4.992 14.677 1.00 0.00 H new ATOM 0 HD1 PHE A 19 2.457 -2.851 13.274 1.00 0.00 H new ATOM 0 HD2 PHE A 19 2.368 -6.739 11.538 1.00 0.00 H new ATOM 0 HE1 PHE A 19 1.645 -1.888 11.165 1.00 0.00 H new ATOM 0 HE2 PHE A 19 1.540 -5.782 9.433 1.00 0.00 H new ATOM 0 HZ PHE A 19 1.184 -3.354 9.241 1.00 0.00 H new ATOM 299 N GLN A 20 4.223 -4.830 16.387 1.00 0.00 N ATOM 300 CA GLN A 20 4.553 -4.838 17.803 1.00 0.00 C ATOM 301 C GLN A 20 5.902 -4.163 18.072 1.00 0.00 C ATOM 302 O GLN A 20 5.941 -3.016 18.517 1.00 0.00 O ATOM 303 CB GLN A 20 4.507 -6.253 18.367 1.00 0.00 C ATOM 304 CG GLN A 20 3.123 -6.878 18.301 1.00 0.00 C ATOM 305 CD GLN A 20 3.066 -8.265 18.910 1.00 0.00 C ATOM 306 OE1 GLN A 20 3.272 -9.266 18.226 1.00 0.00 O ATOM 307 NE2 GLN A 20 2.788 -8.335 20.203 1.00 0.00 N ATOM 0 H GLN A 20 3.399 -4.270 16.167 1.00 0.00 H new ATOM 0 HA GLN A 20 3.796 -4.252 18.323 1.00 0.00 H new ATOM 0 HB2 GLN A 20 5.209 -6.880 17.816 1.00 0.00 H new ATOM 0 HB3 GLN A 20 4.842 -6.235 19.404 1.00 0.00 H new ATOM 0 HG2 GLN A 20 2.414 -6.231 18.818 1.00 0.00 H new ATOM 0 HG3 GLN A 20 2.805 -6.932 17.260 1.00 0.00 H new ATOM 0 HE21 GLN A 20 2.623 -7.481 20.736 1.00 0.00 H new ATOM 0 HE22 GLN A 20 2.739 -9.243 20.666 1.00 0.00 H new ATOM 316 N GLY A 21 6.997 -4.849 17.772 1.00 0.00 N ATOM 317 CA GLY A 21 8.317 -4.293 18.031 1.00 0.00 C ATOM 318 C GLY A 21 8.847 -3.484 16.862 1.00 0.00 C ATOM 319 O GLY A 21 9.937 -3.749 16.351 1.00 0.00 O ATOM 0 H GLY A 21 6.998 -5.780 17.354 1.00 0.00 H new ATOM 0 HA2 GLY A 21 8.273 -3.659 18.917 1.00 0.00 H new ATOM 0 HA3 GLY A 21 9.012 -5.103 18.253 1.00 0.00 H new ATOM 323 N MET A 22 8.082 -2.483 16.455 1.00 0.00 N ATOM 324 CA MET A 22 8.418 -1.688 15.281 1.00 0.00 C ATOM 325 C MET A 22 9.331 -0.520 15.640 1.00 0.00 C ATOM 326 O MET A 22 8.970 0.344 16.439 1.00 0.00 O ATOM 327 CB MET A 22 7.146 -1.171 14.614 1.00 0.00 C ATOM 328 CG MET A 22 6.209 -2.277 14.162 1.00 0.00 C ATOM 329 SD MET A 22 6.991 -3.435 13.023 1.00 0.00 S ATOM 330 CE MET A 22 7.044 -2.478 11.512 1.00 0.00 C ATOM 0 H MET A 22 7.220 -2.200 16.922 1.00 0.00 H new ATOM 0 HA MET A 22 8.955 -2.332 14.584 1.00 0.00 H new ATOM 0 HB2 MET A 22 6.618 -0.520 15.311 1.00 0.00 H new ATOM 0 HB3 MET A 22 7.419 -0.561 13.753 1.00 0.00 H new ATOM 0 HG2 MET A 22 5.849 -2.821 15.035 1.00 0.00 H new ATOM 0 HG3 MET A 22 5.337 -1.834 13.681 1.00 0.00 H new ATOM 0 HE1 MET A 22 6.279 -2.840 10.825 1.00 0.00 H new ATOM 0 HE2 MET A 22 6.860 -1.428 11.740 1.00 0.00 H new ATOM 0 HE3 MET A 22 8.025 -2.583 11.049 1.00 0.00 H new ATOM 340 N THR A 23 10.510 -0.501 15.035 1.00 0.00 N ATOM 341 CA THR A 23 11.486 0.543 15.294 1.00 0.00 C ATOM 342 C THR A 23 12.292 0.855 14.033 1.00 0.00 C ATOM 343 O THR A 23 12.705 -0.056 13.314 1.00 0.00 O ATOM 344 CB THR A 23 12.436 0.135 16.449 1.00 0.00 C ATOM 345 OG1 THR A 23 13.448 1.131 16.649 1.00 0.00 O ATOM 346 CG2 THR A 23 13.092 -1.213 16.179 1.00 0.00 C ATOM 0 H THR A 23 10.813 -1.201 14.358 1.00 0.00 H new ATOM 0 HA THR A 23 10.945 1.441 15.592 1.00 0.00 H new ATOM 0 HB THR A 23 11.832 0.051 17.352 1.00 0.00 H new ATOM 0 HG1 THR A 23 14.037 0.857 17.383 1.00 0.00 H new ATOM 0 HG21 THR A 23 13.752 -1.469 17.008 1.00 0.00 H new ATOM 0 HG22 THR A 23 12.323 -1.978 16.078 1.00 0.00 H new ATOM 0 HG23 THR A 23 13.672 -1.157 15.258 1.00 0.00 H new ATOM 354 N ASP A 24 12.466 2.150 13.757 1.00 0.00 N ATOM 355 CA ASP A 24 13.287 2.636 12.638 1.00 0.00 C ATOM 356 C ASP A 24 12.731 2.212 11.280 1.00 0.00 C ATOM 357 O ASP A 24 12.024 2.974 10.618 1.00 0.00 O ATOM 358 CB ASP A 24 14.737 2.156 12.779 1.00 0.00 C ATOM 359 CG ASP A 24 15.629 2.668 11.663 1.00 0.00 C ATOM 360 OD1 ASP A 24 15.676 2.031 10.589 1.00 0.00 O ATOM 361 OD2 ASP A 24 16.300 3.707 11.864 1.00 0.00 O ATOM 0 H ASP A 24 12.040 2.897 14.305 1.00 0.00 H new ATOM 0 HA ASP A 24 13.260 3.725 12.681 1.00 0.00 H new ATOM 0 HB2 ASP A 24 15.134 2.487 13.738 1.00 0.00 H new ATOM 0 HB3 ASP A 24 14.757 1.066 12.785 1.00 0.00 H new ATOM 366 N THR A 25 13.025 0.977 10.892 1.00 0.00 N ATOM 367 CA THR A 25 12.675 0.460 9.579 1.00 0.00 C ATOM 368 C THR A 25 11.181 0.131 9.507 1.00 0.00 C ATOM 369 O THR A 25 10.673 -0.339 8.489 1.00 0.00 O ATOM 370 CB THR A 25 13.523 -0.790 9.276 1.00 0.00 C ATOM 371 OG1 THR A 25 14.886 -0.535 9.655 1.00 0.00 O ATOM 372 CG2 THR A 25 13.474 -1.158 7.800 1.00 0.00 C ATOM 0 H THR A 25 13.515 0.305 11.483 1.00 0.00 H new ATOM 0 HA THR A 25 12.885 1.223 8.829 1.00 0.00 H new ATOM 0 HB THR A 25 13.114 -1.625 9.845 1.00 0.00 H new ATOM 0 HG1 THR A 25 15.008 0.425 9.810 1.00 0.00 H new ATOM 0 HG21 THR A 25 14.084 -2.044 7.626 1.00 0.00 H new ATOM 0 HG22 THR A 25 12.444 -1.364 7.510 1.00 0.00 H new ATOM 0 HG23 THR A 25 13.859 -0.330 7.206 1.00 0.00 H new ATOM 380 N ALA A 26 10.484 0.409 10.603 1.00 0.00 N ATOM 381 CA ALA A 26 9.036 0.278 10.659 1.00 0.00 C ATOM 382 C ALA A 26 8.379 1.121 9.580 1.00 0.00 C ATOM 383 O ALA A 26 7.381 0.724 8.983 1.00 0.00 O ATOM 384 CB ALA A 26 8.533 0.703 12.026 1.00 0.00 C ATOM 0 H ALA A 26 10.907 0.730 11.474 1.00 0.00 H new ATOM 0 HA ALA A 26 8.775 -0.766 10.487 1.00 0.00 H new ATOM 0 HB1 ALA A 26 7.448 0.603 12.062 1.00 0.00 H new ATOM 0 HB2 ALA A 26 8.981 0.070 12.792 1.00 0.00 H new ATOM 0 HB3 ALA A 26 8.808 1.742 12.208 1.00 0.00 H new ATOM 390 N ALA A 27 8.960 2.285 9.326 1.00 0.00 N ATOM 391 CA ALA A 27 8.448 3.177 8.303 1.00 0.00 C ATOM 392 C ALA A 27 8.723 2.602 6.922 1.00 0.00 C ATOM 393 O ALA A 27 7.871 2.656 6.040 1.00 0.00 O ATOM 394 CB ALA A 27 9.066 4.560 8.440 1.00 0.00 C ATOM 0 H ALA A 27 9.785 2.631 9.815 1.00 0.00 H new ATOM 0 HA ALA A 27 7.370 3.273 8.432 1.00 0.00 H new ATOM 0 HB1 ALA A 27 8.669 5.214 7.664 1.00 0.00 H new ATOM 0 HB2 ALA A 27 8.824 4.971 9.420 1.00 0.00 H new ATOM 0 HB3 ALA A 27 10.148 4.487 8.335 1.00 0.00 H new ATOM 400 N GLU A 28 9.903 2.014 6.767 1.00 0.00 N ATOM 401 CA GLU A 28 10.344 1.472 5.489 1.00 0.00 C ATOM 402 C GLU A 28 9.430 0.362 4.986 1.00 0.00 C ATOM 403 O GLU A 28 8.961 0.417 3.855 1.00 0.00 O ATOM 404 CB GLU A 28 11.775 0.949 5.597 1.00 0.00 C ATOM 405 CG GLU A 28 12.828 1.986 5.265 1.00 0.00 C ATOM 406 CD GLU A 28 12.733 2.438 3.824 1.00 0.00 C ATOM 407 OE1 GLU A 28 13.217 1.704 2.934 1.00 0.00 O ATOM 408 OE2 GLU A 28 12.163 3.515 3.574 1.00 0.00 O ATOM 0 H GLU A 28 10.579 1.900 7.522 1.00 0.00 H new ATOM 0 HA GLU A 28 10.304 2.288 4.768 1.00 0.00 H new ATOM 0 HB2 GLU A 28 11.944 0.584 6.610 1.00 0.00 H new ATOM 0 HB3 GLU A 28 11.893 0.097 4.927 1.00 0.00 H new ATOM 0 HG2 GLU A 28 12.713 2.846 5.925 1.00 0.00 H new ATOM 0 HG3 GLU A 28 13.819 1.572 5.452 1.00 0.00 H new ATOM 415 N ASP A 29 9.174 -0.634 5.827 1.00 0.00 N ATOM 416 CA ASP A 29 8.399 -1.804 5.404 1.00 0.00 C ATOM 417 C ASP A 29 6.989 -1.419 4.977 1.00 0.00 C ATOM 418 O ASP A 29 6.470 -1.936 3.985 1.00 0.00 O ATOM 419 CB ASP A 29 8.347 -2.867 6.505 1.00 0.00 C ATOM 420 CG ASP A 29 9.477 -3.873 6.386 1.00 0.00 C ATOM 421 OD1 ASP A 29 10.079 -3.966 5.292 1.00 0.00 O ATOM 422 OD2 ASP A 29 9.755 -4.589 7.373 1.00 0.00 O ATOM 0 H ASP A 29 9.487 -0.659 6.798 1.00 0.00 H new ATOM 0 HA ASP A 29 8.911 -2.228 4.540 1.00 0.00 H new ATOM 0 HB2 ASP A 29 8.397 -2.381 7.479 1.00 0.00 H new ATOM 0 HB3 ASP A 29 7.392 -3.389 6.458 1.00 0.00 H new ATOM 427 N VAL A 30 6.374 -0.502 5.709 1.00 0.00 N ATOM 428 CA VAL A 30 5.029 -0.052 5.379 1.00 0.00 C ATOM 429 C VAL A 30 5.039 0.881 4.167 1.00 0.00 C ATOM 430 O VAL A 30 4.245 0.713 3.239 1.00 0.00 O ATOM 431 CB VAL A 30 4.352 0.645 6.573 1.00 0.00 C ATOM 432 CG1 VAL A 30 2.957 1.128 6.201 1.00 0.00 C ATOM 433 CG2 VAL A 30 4.296 -0.298 7.765 1.00 0.00 C ATOM 0 H VAL A 30 6.782 -0.057 6.531 1.00 0.00 H new ATOM 0 HA VAL A 30 4.450 -0.942 5.131 1.00 0.00 H new ATOM 0 HB VAL A 30 4.945 1.518 6.846 1.00 0.00 H new ATOM 0 HG11 VAL A 30 2.500 1.617 7.061 1.00 0.00 H new ATOM 0 HG12 VAL A 30 3.025 1.836 5.375 1.00 0.00 H new ATOM 0 HG13 VAL A 30 2.346 0.277 5.900 1.00 0.00 H new ATOM 0 HG21 VAL A 30 3.815 0.205 8.604 1.00 0.00 H new ATOM 0 HG22 VAL A 30 3.724 -1.187 7.499 1.00 0.00 H new ATOM 0 HG23 VAL A 30 5.308 -0.588 8.047 1.00 0.00 H new ATOM 443 N ARG A 31 5.954 1.851 4.160 1.00 0.00 N ATOM 444 CA ARG A 31 6.040 2.798 3.052 1.00 0.00 C ATOM 445 C ARG A 31 6.436 2.071 1.772 1.00 0.00 C ATOM 446 O ARG A 31 6.113 2.518 0.678 1.00 0.00 O ATOM 447 CB ARG A 31 6.994 3.970 3.365 1.00 0.00 C ATOM 448 CG ARG A 31 8.486 3.687 3.190 1.00 0.00 C ATOM 449 CD ARG A 31 8.970 4.066 1.797 1.00 0.00 C ATOM 450 NE ARG A 31 10.428 4.045 1.693 1.00 0.00 N ATOM 451 CZ ARG A 31 11.102 4.303 0.574 1.00 0.00 C ATOM 452 NH1 ARG A 31 10.451 4.569 -0.552 1.00 0.00 N ATOM 453 NH2 ARG A 31 12.432 4.299 0.593 1.00 0.00 N ATOM 0 H ARG A 31 6.639 2.000 4.901 1.00 0.00 H new ATOM 0 HA ARG A 31 5.054 3.239 2.905 1.00 0.00 H new ATOM 0 HB2 ARG A 31 6.727 4.811 2.725 1.00 0.00 H new ATOM 0 HB3 ARG A 31 6.823 4.286 4.394 1.00 0.00 H new ATOM 0 HG2 ARG A 31 9.052 4.244 3.936 1.00 0.00 H new ATOM 0 HG3 ARG A 31 8.679 2.629 3.367 1.00 0.00 H new ATOM 0 HD2 ARG A 31 8.546 3.377 1.067 1.00 0.00 H new ATOM 0 HD3 ARG A 31 8.604 5.061 1.546 1.00 0.00 H new ATOM 0 HE ARG A 31 10.963 3.818 2.531 1.00 0.00 H new ATOM 0 HH11 ARG A 31 9.431 4.576 -0.562 1.00 0.00 H new ATOM 0 HH12 ARG A 31 10.971 4.766 -1.407 1.00 0.00 H new ATOM 0 HH21 ARG A 31 12.929 4.099 1.461 1.00 0.00 H new ATOM 0 HH22 ARG A 31 12.955 4.496 -0.260 1.00 0.00 H new ATOM 467 N LYS A 32 7.153 0.961 1.928 1.00 0.00 N ATOM 468 CA LYS A 32 7.552 0.113 0.806 1.00 0.00 C ATOM 469 C LYS A 32 6.337 -0.254 -0.047 1.00 0.00 C ATOM 470 O LYS A 32 6.356 -0.112 -1.271 1.00 0.00 O ATOM 471 CB LYS A 32 8.200 -1.171 1.338 1.00 0.00 C ATOM 472 CG LYS A 32 9.012 -1.942 0.309 1.00 0.00 C ATOM 473 CD LYS A 32 9.257 -3.383 0.750 1.00 0.00 C ATOM 474 CE LYS A 32 9.844 -3.476 2.158 1.00 0.00 C ATOM 475 NZ LYS A 32 11.195 -2.863 2.259 1.00 0.00 N ATOM 0 H LYS A 32 7.474 0.623 2.835 1.00 0.00 H new ATOM 0 HA LYS A 32 8.265 0.662 0.191 1.00 0.00 H new ATOM 0 HB2 LYS A 32 8.848 -0.915 2.176 1.00 0.00 H new ATOM 0 HB3 LYS A 32 7.418 -1.823 1.727 1.00 0.00 H new ATOM 0 HG2 LYS A 32 8.487 -1.938 -0.646 1.00 0.00 H new ATOM 0 HG3 LYS A 32 9.968 -1.442 0.150 1.00 0.00 H new ATOM 0 HD2 LYS A 32 8.317 -3.934 0.715 1.00 0.00 H new ATOM 0 HD3 LYS A 32 9.935 -3.864 0.045 1.00 0.00 H new ATOM 0 HE2 LYS A 32 9.172 -2.982 2.860 1.00 0.00 H new ATOM 0 HE3 LYS A 32 9.902 -4.523 2.455 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 11.545 -2.954 3.234 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 11.846 -3.349 1.610 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 11.139 -1.856 2.004 1.00 0.00 H new ATOM 489 N ILE A 33 5.277 -0.712 0.616 1.00 0.00 N ATOM 490 CA ILE A 33 4.049 -1.104 -0.067 1.00 0.00 C ATOM 491 C ILE A 33 3.404 0.112 -0.726 1.00 0.00 C ATOM 492 O ILE A 33 3.001 0.067 -1.890 1.00 0.00 O ATOM 493 CB ILE A 33 3.038 -1.744 0.917 1.00 0.00 C ATOM 494 CG1 ILE A 33 3.731 -2.786 1.798 1.00 0.00 C ATOM 495 CG2 ILE A 33 1.881 -2.386 0.158 1.00 0.00 C ATOM 496 CD1 ILE A 33 2.828 -3.369 2.866 1.00 0.00 C ATOM 0 H ILE A 33 5.246 -0.821 1.630 1.00 0.00 H new ATOM 0 HA ILE A 33 4.313 -1.841 -0.826 1.00 0.00 H new ATOM 0 HB ILE A 33 2.640 -0.955 1.555 1.00 0.00 H new ATOM 0 HG12 ILE A 33 4.104 -3.593 1.168 1.00 0.00 H new ATOM 0 HG13 ILE A 33 4.597 -2.328 2.276 1.00 0.00 H new ATOM 0 HG21 ILE A 33 1.182 -2.830 0.867 1.00 0.00 H new ATOM 0 HG22 ILE A 33 1.367 -1.627 -0.431 1.00 0.00 H new ATOM 0 HG23 ILE A 33 2.266 -3.161 -0.505 1.00 0.00 H new ATOM 0 HD11 ILE A 33 3.384 -4.100 3.453 1.00 0.00 H new ATOM 0 HD12 ILE A 33 2.475 -2.571 3.520 1.00 0.00 H new ATOM 0 HD13 ILE A 33 1.974 -3.856 2.395 1.00 0.00 H new ATOM 508 N ALA A 34 3.344 1.206 0.026 1.00 0.00 N ATOM 509 CA ALA A 34 2.708 2.431 -0.438 1.00 0.00 C ATOM 510 C ALA A 34 3.457 3.050 -1.616 1.00 0.00 C ATOM 511 O ALA A 34 2.841 3.538 -2.559 1.00 0.00 O ATOM 512 CB ALA A 34 2.602 3.429 0.705 1.00 0.00 C ATOM 0 H ALA A 34 3.732 1.268 0.967 1.00 0.00 H new ATOM 0 HA ALA A 34 1.708 2.174 -0.786 1.00 0.00 H new ATOM 0 HB1 ALA A 34 2.125 4.342 0.348 1.00 0.00 H new ATOM 0 HB2 ALA A 34 2.006 2.999 1.510 1.00 0.00 H new ATOM 0 HB3 ALA A 34 3.599 3.663 1.078 1.00 0.00 H new ATOM 518 N THR A 35 4.783 3.018 -1.564 1.00 0.00 N ATOM 519 CA THR A 35 5.599 3.598 -2.621 1.00 0.00 C ATOM 520 C THR A 35 5.380 2.857 -3.934 1.00 0.00 C ATOM 521 O THR A 35 5.244 3.469 -4.989 1.00 0.00 O ATOM 522 CB THR A 35 7.102 3.566 -2.260 1.00 0.00 C ATOM 523 OG1 THR A 35 7.317 4.205 -0.993 1.00 0.00 O ATOM 524 CG2 THR A 35 7.942 4.264 -3.321 1.00 0.00 C ATOM 0 H THR A 35 5.315 2.597 -0.802 1.00 0.00 H new ATOM 0 HA THR A 35 5.291 4.638 -2.733 1.00 0.00 H new ATOM 0 HB THR A 35 7.408 2.521 -2.206 1.00 0.00 H new ATOM 0 HG1 THR A 35 6.923 3.660 -0.281 1.00 0.00 H new ATOM 0 HG21 THR A 35 8.994 4.224 -3.037 1.00 0.00 H new ATOM 0 HG22 THR A 35 7.806 3.764 -4.280 1.00 0.00 H new ATOM 0 HG23 THR A 35 7.629 5.305 -3.407 1.00 0.00 H new ATOM 532 N ALA A 36 5.317 1.534 -3.856 1.00 0.00 N ATOM 533 CA ALA A 36 5.150 0.708 -5.040 1.00 0.00 C ATOM 534 C ALA A 36 3.818 0.984 -5.728 1.00 0.00 C ATOM 535 O ALA A 36 3.763 1.135 -6.950 1.00 0.00 O ATOM 536 CB ALA A 36 5.270 -0.761 -4.676 1.00 0.00 C ATOM 0 H ALA A 36 5.379 1.011 -2.982 1.00 0.00 H new ATOM 0 HA ALA A 36 5.943 0.962 -5.743 1.00 0.00 H new ATOM 0 HB1 ALA A 36 5.143 -1.369 -5.572 1.00 0.00 H new ATOM 0 HB2 ALA A 36 6.253 -0.950 -4.245 1.00 0.00 H new ATOM 0 HB3 ALA A 36 4.500 -1.020 -3.949 1.00 0.00 H new ATOM 542 N LEU A 37 2.746 1.069 -4.946 1.00 0.00 N ATOM 543 CA LEU A 37 1.429 1.318 -5.507 1.00 0.00 C ATOM 544 C LEU A 37 1.306 2.764 -5.978 1.00 0.00 C ATOM 545 O LEU A 37 0.559 3.059 -6.900 1.00 0.00 O ATOM 546 CB LEU A 37 0.327 0.958 -4.495 1.00 0.00 C ATOM 547 CG LEU A 37 0.332 1.726 -3.162 1.00 0.00 C ATOM 548 CD1 LEU A 37 -0.411 3.052 -3.284 1.00 0.00 C ATOM 549 CD2 LEU A 37 -0.284 0.877 -2.058 1.00 0.00 C ATOM 0 H LEU A 37 2.766 0.970 -3.931 1.00 0.00 H new ATOM 0 HA LEU A 37 1.299 0.675 -6.378 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -0.639 1.116 -4.974 1.00 0.00 H new ATOM 0 HB3 LEU A 37 0.403 -0.107 -4.274 1.00 0.00 H new ATOM 0 HG LEU A 37 1.369 1.943 -2.905 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -0.390 3.571 -2.326 1.00 0.00 H new ATOM 0 HD12 LEU A 37 0.070 3.670 -4.042 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -1.445 2.864 -3.572 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -0.273 1.434 -1.121 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -1.312 0.629 -2.321 1.00 0.00 H new ATOM 0 HD23 LEU A 37 0.292 -0.041 -1.941 1.00 0.00 H new ATOM 561 N LEU A 38 2.066 3.656 -5.359 1.00 0.00 N ATOM 562 CA LEU A 38 2.055 5.063 -5.740 1.00 0.00 C ATOM 563 C LEU A 38 2.751 5.256 -7.081 1.00 0.00 C ATOM 564 O LEU A 38 2.478 6.205 -7.813 1.00 0.00 O ATOM 565 CB LEU A 38 2.753 5.903 -4.670 1.00 0.00 C ATOM 566 CG LEU A 38 2.615 7.422 -4.831 1.00 0.00 C ATOM 567 CD1 LEU A 38 1.158 7.842 -4.706 1.00 0.00 C ATOM 568 CD2 LEU A 38 3.473 8.151 -3.805 1.00 0.00 C ATOM 0 H LEU A 38 2.698 3.432 -4.591 1.00 0.00 H new ATOM 0 HA LEU A 38 1.019 5.388 -5.831 1.00 0.00 H new ATOM 0 HB2 LEU A 38 2.356 5.621 -3.695 1.00 0.00 H new ATOM 0 HB3 LEU A 38 3.813 5.650 -4.668 1.00 0.00 H new ATOM 0 HG LEU A 38 2.967 7.695 -5.826 1.00 0.00 H new ATOM 0 HD11 LEU A 38 1.080 8.923 -4.823 1.00 0.00 H new ATOM 0 HD12 LEU A 38 0.570 7.350 -5.480 1.00 0.00 H new ATOM 0 HD13 LEU A 38 0.779 7.555 -3.725 1.00 0.00 H new ATOM 0 HD21 LEU A 38 3.361 9.227 -3.936 1.00 0.00 H new ATOM 0 HD22 LEU A 38 3.154 7.873 -2.800 1.00 0.00 H new ATOM 0 HD23 LEU A 38 4.518 7.875 -3.943 1.00 0.00 H new ATOM 580 N LYS A 39 3.663 4.348 -7.389 1.00 0.00 N ATOM 581 CA LYS A 39 4.438 4.430 -8.610 1.00 0.00 C ATOM 582 C LYS A 39 3.759 3.669 -9.737 1.00 0.00 C ATOM 583 O LYS A 39 4.157 3.778 -10.899 1.00 0.00 O ATOM 584 CB LYS A 39 5.842 3.889 -8.368 1.00 0.00 C ATOM 585 CG LYS A 39 6.656 4.750 -7.417 1.00 0.00 C ATOM 586 CD LYS A 39 8.064 4.216 -7.225 1.00 0.00 C ATOM 587 CE LYS A 39 8.852 4.240 -8.525 1.00 0.00 C ATOM 588 NZ LYS A 39 10.294 3.953 -8.303 1.00 0.00 N ATOM 0 H LYS A 39 3.883 3.542 -6.804 1.00 0.00 H new ATOM 0 HA LYS A 39 4.507 5.476 -8.908 1.00 0.00 H new ATOM 0 HB2 LYS A 39 5.771 2.879 -7.964 1.00 0.00 H new ATOM 0 HB3 LYS A 39 6.366 3.815 -9.321 1.00 0.00 H new ATOM 0 HG2 LYS A 39 6.705 5.768 -7.802 1.00 0.00 H new ATOM 0 HG3 LYS A 39 6.152 4.798 -6.451 1.00 0.00 H new ATOM 0 HD2 LYS A 39 8.581 4.813 -6.474 1.00 0.00 H new ATOM 0 HD3 LYS A 39 8.018 3.195 -6.845 1.00 0.00 H new ATOM 0 HE2 LYS A 39 8.437 3.505 -9.215 1.00 0.00 H new ATOM 0 HE3 LYS A 39 8.744 5.217 -8.997 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 10.797 3.978 -9.213 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 10.696 4.669 -7.665 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 10.399 3.011 -7.876 1.00 0.00 H new ATOM 602 N THR A 40 2.743 2.896 -9.388 1.00 0.00 N ATOM 603 CA THR A 40 1.981 2.153 -10.370 1.00 0.00 C ATOM 604 C THR A 40 0.481 2.359 -10.157 1.00 0.00 C ATOM 605 O THR A 40 -0.052 3.409 -10.510 1.00 0.00 O ATOM 606 CB THR A 40 2.323 0.646 -10.336 1.00 0.00 C ATOM 607 OG1 THR A 40 2.217 0.142 -8.996 1.00 0.00 O ATOM 608 CG2 THR A 40 3.724 0.388 -10.871 1.00 0.00 C ATOM 0 H THR A 40 2.428 2.769 -8.426 1.00 0.00 H new ATOM 0 HA THR A 40 2.255 2.536 -11.353 1.00 0.00 H new ATOM 0 HB THR A 40 1.609 0.127 -10.975 1.00 0.00 H new ATOM 0 HG1 THR A 40 2.891 0.574 -8.430 1.00 0.00 H new ATOM 0 HG21 THR A 40 3.936 -0.681 -10.835 1.00 0.00 H new ATOM 0 HG22 THR A 40 3.790 0.736 -11.902 1.00 0.00 H new ATOM 0 HG23 THR A 40 4.451 0.923 -10.260 1.00 0.00 H new ATOM 616 N ALA A 41 -0.158 1.374 -9.514 1.00 0.00 N ATOM 617 CA ALA A 41 -1.616 1.344 -9.283 1.00 0.00 C ATOM 618 C ALA A 41 -2.427 1.401 -10.582 1.00 0.00 C ATOM 619 O ALA A 41 -3.118 0.441 -10.948 1.00 0.00 O ATOM 620 CB ALA A 41 -2.047 2.472 -8.353 1.00 0.00 C ATOM 0 H ALA A 41 0.326 0.561 -9.132 1.00 0.00 H new ATOM 0 HA ALA A 41 -1.827 0.385 -8.809 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -3.125 2.426 -8.200 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -1.540 2.367 -7.394 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -1.784 3.431 -8.799 1.00 0.00 H new ATOM 626 N ILE A 42 -2.330 2.531 -11.263 1.00 0.00 N ATOM 627 CA ILE A 42 -3.106 2.823 -12.449 1.00 0.00 C ATOM 628 C ILE A 42 -2.650 1.995 -13.646 1.00 0.00 C ATOM 629 O ILE A 42 -1.676 1.245 -13.569 1.00 0.00 O ATOM 630 CB ILE A 42 -2.989 4.320 -12.794 1.00 0.00 C ATOM 631 CG1 ILE A 42 -1.512 4.719 -12.944 1.00 0.00 C ATOM 632 CG2 ILE A 42 -3.681 5.164 -11.731 1.00 0.00 C ATOM 633 CD1 ILE A 42 -1.287 6.202 -13.154 1.00 0.00 C ATOM 0 H ILE A 42 -1.695 3.284 -10.998 1.00 0.00 H new ATOM 0 HA ILE A 42 -4.143 2.565 -12.234 1.00 0.00 H new ATOM 0 HB ILE A 42 -3.487 4.503 -13.746 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -0.970 4.403 -12.053 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -1.084 4.175 -13.786 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -3.590 6.219 -11.988 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -4.735 4.892 -11.680 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -3.213 4.985 -10.763 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -0.219 6.398 -13.250 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -1.798 6.523 -14.062 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -1.682 6.754 -12.301 1.00 0.00 H new ATOM 645 N GLU A 43 -3.367 2.137 -14.749 1.00 0.00 N ATOM 646 CA GLU A 43 -3.057 1.419 -15.973 1.00 0.00 C ATOM 647 C GLU A 43 -3.534 2.219 -17.174 1.00 0.00 C ATOM 648 O GLU A 43 -4.553 2.914 -17.101 1.00 0.00 O ATOM 649 CB GLU A 43 -3.706 0.033 -15.960 1.00 0.00 C ATOM 650 CG GLU A 43 -5.213 0.070 -15.775 1.00 0.00 C ATOM 651 CD GLU A 43 -5.779 -1.271 -15.381 1.00 0.00 C ATOM 652 OE1 GLU A 43 -5.554 -1.686 -14.224 1.00 0.00 O ATOM 653 OE2 GLU A 43 -6.458 -1.909 -16.209 1.00 0.00 O ATOM 0 H GLU A 43 -4.178 2.752 -14.820 1.00 0.00 H new ATOM 0 HA GLU A 43 -1.977 1.288 -16.042 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -3.475 -0.476 -16.896 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -3.264 -0.559 -15.158 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -5.464 0.806 -15.011 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -5.682 0.401 -16.702 1.00 0.00 H new ATOM 660 N ILE A 44 -2.790 2.143 -18.264 1.00 0.00 N ATOM 661 CA ILE A 44 -3.115 2.892 -19.454 1.00 0.00 C ATOM 662 C ILE A 44 -3.482 1.971 -20.611 1.00 0.00 C ATOM 663 O ILE A 44 -2.646 1.227 -21.121 1.00 0.00 O ATOM 664 CB ILE A 44 -1.944 3.807 -19.876 1.00 0.00 C ATOM 665 CG1 ILE A 44 -0.611 3.046 -19.836 1.00 0.00 C ATOM 666 CG2 ILE A 44 -1.886 5.044 -18.992 1.00 0.00 C ATOM 667 CD1 ILE A 44 0.574 3.853 -20.332 1.00 0.00 C ATOM 0 H ILE A 44 -1.953 1.565 -18.344 1.00 0.00 H new ATOM 0 HA ILE A 44 -3.979 3.510 -19.212 1.00 0.00 H new ATOM 0 HB ILE A 44 -2.117 4.128 -20.903 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -0.417 2.726 -18.812 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -0.701 2.143 -20.440 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -1.055 5.676 -19.305 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -2.819 5.600 -19.083 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -1.743 4.743 -17.954 1.00 0.00 H new ATOM 0 HD11 ILE A 44 1.478 3.247 -20.272 1.00 0.00 H new ATOM 0 HD12 ILE A 44 0.404 4.150 -21.367 1.00 0.00 H new ATOM 0 HD13 ILE A 44 0.693 4.743 -19.714 1.00 0.00 H new ATOM 679 N VAL A 45 -4.741 2.012 -21.009 1.00 0.00 N ATOM 680 CA VAL A 45 -5.177 1.317 -22.204 1.00 0.00 C ATOM 681 C VAL A 45 -5.340 2.333 -23.324 1.00 0.00 C ATOM 682 O VAL A 45 -5.686 3.493 -23.073 1.00 0.00 O ATOM 683 CB VAL A 45 -6.498 0.539 -21.997 1.00 0.00 C ATOM 684 CG1 VAL A 45 -6.358 -0.466 -20.860 1.00 0.00 C ATOM 685 CG2 VAL A 45 -7.669 1.481 -21.750 1.00 0.00 C ATOM 0 H VAL A 45 -5.479 2.520 -20.521 1.00 0.00 H new ATOM 0 HA VAL A 45 -4.419 0.577 -22.459 1.00 0.00 H new ATOM 0 HB VAL A 45 -6.708 -0.009 -22.916 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -7.298 -1.003 -20.731 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -5.565 -1.175 -21.097 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -6.111 0.060 -19.938 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -8.580 0.900 -21.609 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -7.476 2.075 -20.857 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -7.790 2.143 -22.607 1.00 0.00 H new ATOM 772 N HIS A 53 -5.599 6.227 -22.576 1.00 0.00 N ATOM 773 CA HIS A 53 -6.310 6.775 -21.433 1.00 0.00 C ATOM 774 C HIS A 53 -5.731 6.217 -20.142 1.00 0.00 C ATOM 775 O HIS A 53 -5.482 5.013 -20.038 1.00 0.00 O ATOM 776 CB HIS A 53 -7.804 6.448 -21.515 1.00 0.00 C ATOM 777 CG HIS A 53 -8.458 6.966 -22.755 1.00 0.00 C ATOM 778 ND1 HIS A 53 -8.899 8.261 -22.887 1.00 0.00 N ATOM 779 CD2 HIS A 53 -8.720 6.358 -23.934 1.00 0.00 C ATOM 780 CE1 HIS A 53 -9.397 8.430 -24.091 1.00 0.00 C ATOM 781 NE2 HIS A 53 -9.304 7.291 -24.749 1.00 0.00 N ATOM 0 HA HIS A 53 -6.191 7.858 -21.443 1.00 0.00 H new ATOM 0 HB2 HIS A 53 -7.935 5.367 -21.469 1.00 0.00 H new ATOM 0 HB3 HIS A 53 -8.308 6.868 -20.645 1.00 0.00 H new ATOM 0 HD2 HIS A 53 -8.508 5.329 -24.186 1.00 0.00 H new ATOM 0 HE1 HIS A 53 -9.813 9.349 -24.477 1.00 0.00 H new ATOM 0 HE2 HIS A 53 -9.616 7.131 -25.707 1.00 0.00 H new ATOM 790 N ASN A 54 -5.500 7.090 -19.176 1.00 0.00 N ATOM 791 CA ASN A 54 -4.997 6.685 -17.870 1.00 0.00 C ATOM 792 C ASN A 54 -6.167 6.475 -16.913 1.00 0.00 C ATOM 793 O ASN A 54 -6.896 7.418 -16.599 1.00 0.00 O ATOM 794 CB ASN A 54 -4.047 7.756 -17.324 1.00 0.00 C ATOM 795 CG ASN A 54 -3.289 7.314 -16.084 1.00 0.00 C ATOM 796 OD1 ASN A 54 -3.759 6.489 -15.304 1.00 0.00 O ATOM 797 ND2 ASN A 54 -2.099 7.866 -15.898 1.00 0.00 N ATOM 0 H ASN A 54 -5.654 8.094 -19.272 1.00 0.00 H new ATOM 0 HA ASN A 54 -4.448 5.748 -17.967 1.00 0.00 H new ATOM 0 HB2 ASN A 54 -3.332 8.027 -18.101 1.00 0.00 H new ATOM 0 HB3 ASN A 54 -4.619 8.654 -17.090 1.00 0.00 H new ATOM 0 HD21 ASN A 54 -1.539 7.609 -15.085 1.00 0.00 H new ATOM 0 HD22 ASN A 54 -1.743 8.547 -16.568 1.00 0.00 H new ATOM 804 N GLN A 55 -6.352 5.239 -16.465 1.00 0.00 N ATOM 805 CA GLN A 55 -7.483 4.895 -15.612 1.00 0.00 C ATOM 806 C GLN A 55 -7.100 4.903 -14.140 1.00 0.00 C ATOM 807 O GLN A 55 -6.321 4.061 -13.685 1.00 0.00 O ATOM 808 CB GLN A 55 -8.042 3.514 -15.974 1.00 0.00 C ATOM 809 CG GLN A 55 -8.985 3.499 -17.169 1.00 0.00 C ATOM 810 CD GLN A 55 -8.384 4.136 -18.402 1.00 0.00 C ATOM 811 OE1 GLN A 55 -8.590 5.318 -18.669 1.00 0.00 O ATOM 812 NE2 GLN A 55 -7.612 3.366 -19.142 1.00 0.00 N ATOM 0 H GLN A 55 -5.732 4.457 -16.679 1.00 0.00 H new ATOM 0 HA GLN A 55 -8.246 5.654 -15.781 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -7.208 2.843 -16.179 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -8.569 3.113 -15.108 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -9.259 2.469 -17.396 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -9.904 4.023 -16.907 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -7.468 2.390 -18.884 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -7.158 3.746 -19.973 1.00 0.00 H new ATOM 821 N CYS A 56 -7.651 5.853 -13.398 1.00 0.00 N ATOM 822 CA CYS A 56 -7.521 5.859 -11.955 1.00 0.00 C ATOM 823 C CYS A 56 -8.524 4.876 -11.367 1.00 0.00 C ATOM 824 O CYS A 56 -9.699 5.204 -11.190 1.00 0.00 O ATOM 825 CB CYS A 56 -7.745 7.265 -11.397 1.00 0.00 C ATOM 826 SG CYS A 56 -6.585 8.501 -12.025 1.00 0.00 S ATOM 0 H CYS A 56 -8.193 6.630 -13.776 1.00 0.00 H new ATOM 0 HA CYS A 56 -6.511 5.555 -11.679 1.00 0.00 H new ATOM 0 HB2 CYS A 56 -8.761 7.581 -11.635 1.00 0.00 H new ATOM 0 HB3 CYS A 56 -7.669 7.230 -10.310 1.00 0.00 H new ATOM 0 HG CYS A 56 -6.228 9.292 -11.057 1.00 0.00 H new ATOM 832 N LYS A 57 -8.040 3.669 -11.095 1.00 0.00 N ATOM 833 CA LYS A 57 -8.877 2.528 -10.706 1.00 0.00 C ATOM 834 C LYS A 57 -9.882 2.876 -9.607 1.00 0.00 C ATOM 835 O LYS A 57 -11.082 2.637 -9.750 1.00 0.00 O ATOM 836 CB LYS A 57 -7.981 1.386 -10.217 1.00 0.00 C ATOM 837 CG LYS A 57 -6.847 1.027 -11.170 1.00 0.00 C ATOM 838 CD LYS A 57 -7.345 0.343 -12.434 1.00 0.00 C ATOM 839 CE LYS A 57 -7.937 -1.023 -12.130 1.00 0.00 C ATOM 840 NZ LYS A 57 -8.176 -1.817 -13.363 1.00 0.00 N ATOM 0 H LYS A 57 -7.045 3.448 -11.137 1.00 0.00 H new ATOM 0 HA LYS A 57 -9.445 2.232 -11.588 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -7.556 1.661 -9.252 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -8.596 0.501 -10.053 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -6.303 1.932 -11.440 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -6.141 0.372 -10.660 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -8.097 0.968 -12.915 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -6.521 0.235 -13.140 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -7.263 -1.571 -11.472 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -8.877 -0.898 -11.592 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -8.917 -2.524 -13.182 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -8.481 -1.184 -14.130 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -7.298 -2.300 -13.641 1.00 0.00 H new ATOM 854 N LEU A 58 -9.383 3.457 -8.525 1.00 0.00 N ATOM 855 CA LEU A 58 -10.178 3.678 -7.319 1.00 0.00 C ATOM 856 C LEU A 58 -11.360 4.618 -7.546 1.00 0.00 C ATOM 857 O LEU A 58 -12.477 4.323 -7.127 1.00 0.00 O ATOM 858 CB LEU A 58 -9.301 4.222 -6.188 1.00 0.00 C ATOM 859 CG LEU A 58 -8.367 3.206 -5.514 1.00 0.00 C ATOM 860 CD1 LEU A 58 -7.255 2.762 -6.453 1.00 0.00 C ATOM 861 CD2 LEU A 58 -7.787 3.801 -4.247 1.00 0.00 C ATOM 0 H LEU A 58 -8.421 3.788 -8.455 1.00 0.00 H new ATOM 0 HA LEU A 58 -10.585 2.706 -7.040 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -8.694 5.036 -6.584 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -9.951 4.651 -5.425 1.00 0.00 H new ATOM 0 HG LEU A 58 -8.953 2.323 -5.259 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -6.613 2.043 -5.943 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -7.690 2.296 -7.337 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -6.664 3.628 -6.752 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -7.126 3.075 -3.774 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -7.222 4.700 -4.493 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -8.595 4.056 -3.562 1.00 0.00 H new ATOM 873 N CYS A 59 -11.125 5.746 -8.201 1.00 0.00 N ATOM 874 CA CYS A 59 -12.168 6.752 -8.358 1.00 0.00 C ATOM 875 C CYS A 59 -12.898 6.602 -9.690 1.00 0.00 C ATOM 876 O CYS A 59 -13.846 7.339 -9.973 1.00 0.00 O ATOM 877 CB CYS A 59 -11.569 8.155 -8.223 1.00 0.00 C ATOM 878 SG CYS A 59 -10.132 8.452 -9.280 1.00 0.00 S ATOM 0 H CYS A 59 -10.231 5.987 -8.629 1.00 0.00 H new ATOM 0 HA CYS A 59 -12.903 6.603 -7.567 1.00 0.00 H new ATOM 0 HB2 CYS A 59 -12.338 8.890 -8.459 1.00 0.00 H new ATOM 0 HB3 CYS A 59 -11.282 8.317 -7.184 1.00 0.00 H new ATOM 0 HG CYS A 59 -9.700 9.664 -9.095 1.00 0.00 H new ATOM 884 N GLY A 60 -12.453 5.646 -10.502 1.00 0.00 N ATOM 885 CA GLY A 60 -13.070 5.413 -11.797 1.00 0.00 C ATOM 886 C GLY A 60 -12.925 6.600 -12.728 1.00 0.00 C ATOM 887 O GLY A 60 -13.791 6.854 -13.566 1.00 0.00 O ATOM 0 H GLY A 60 -11.673 5.026 -10.285 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -12.618 4.535 -12.259 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -14.128 5.191 -11.658 1.00 0.00 H new ATOM 891 N ALA A 61 -11.830 7.329 -12.582 1.00 0.00 N ATOM 892 CA ALA A 61 -11.594 8.516 -13.387 1.00 0.00 C ATOM 893 C ALA A 61 -10.566 8.232 -14.468 1.00 0.00 C ATOM 894 O ALA A 61 -9.504 7.674 -14.194 1.00 0.00 O ATOM 895 CB ALA A 61 -11.143 9.674 -12.508 1.00 0.00 C ATOM 0 H ALA A 61 -11.090 7.119 -11.912 1.00 0.00 H new ATOM 0 HA ALA A 61 -12.530 8.796 -13.871 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -10.971 10.555 -13.127 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -11.915 9.894 -11.771 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -10.219 9.404 -11.996 1.00 0.00 H new ATOM 901 N SER A 62 -10.887 8.607 -15.694 1.00 0.00 N ATOM 902 CA SER A 62 -9.983 8.405 -16.809 1.00 0.00 C ATOM 903 C SER A 62 -9.468 9.743 -17.322 1.00 0.00 C ATOM 904 O SER A 62 -10.243 10.672 -17.551 1.00 0.00 O ATOM 905 CB SER A 62 -10.687 7.623 -17.921 1.00 0.00 C ATOM 906 OG SER A 62 -11.992 8.130 -18.162 1.00 0.00 O ATOM 0 H SER A 62 -11.770 9.054 -15.941 1.00 0.00 H new ATOM 0 HA SER A 62 -9.126 7.822 -16.471 1.00 0.00 H new ATOM 0 HB2 SER A 62 -10.098 7.679 -18.837 1.00 0.00 H new ATOM 0 HB3 SER A 62 -10.749 6.570 -17.645 1.00 0.00 H new ATOM 0 HG SER A 62 -12.417 7.613 -18.878 1.00 0.00 H new ATOM 912 N VAL A 63 -8.162 9.839 -17.480 1.00 0.00 N ATOM 913 CA VAL A 63 -7.533 11.071 -17.920 1.00 0.00 C ATOM 914 C VAL A 63 -6.572 10.782 -19.076 1.00 0.00 C ATOM 915 O VAL A 63 -5.883 9.761 -19.070 1.00 0.00 O ATOM 916 CB VAL A 63 -6.789 11.755 -16.740 1.00 0.00 C ATOM 917 CG1 VAL A 63 -5.737 10.830 -16.143 1.00 0.00 C ATOM 918 CG2 VAL A 63 -6.164 13.076 -17.170 1.00 0.00 C ATOM 0 H VAL A 63 -7.511 9.073 -17.309 1.00 0.00 H new ATOM 0 HA VAL A 63 -8.305 11.755 -18.272 1.00 0.00 H new ATOM 0 HB VAL A 63 -7.528 11.969 -15.968 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -5.233 11.336 -15.320 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -6.217 9.924 -15.773 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -5.007 10.567 -16.909 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -5.651 13.529 -16.322 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -5.449 12.896 -17.972 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -6.944 13.750 -17.524 1.00 0.00 H new ATOM 928 N PRO A 64 -6.556 11.639 -20.112 1.00 0.00 N ATOM 929 CA PRO A 64 -5.629 11.498 -21.238 1.00 0.00 C ATOM 930 C PRO A 64 -4.174 11.374 -20.785 1.00 0.00 C ATOM 931 O PRO A 64 -3.756 12.001 -19.808 1.00 0.00 O ATOM 932 CB PRO A 64 -5.833 12.789 -22.032 1.00 0.00 C ATOM 933 CG PRO A 64 -7.216 13.223 -21.703 1.00 0.00 C ATOM 934 CD PRO A 64 -7.455 12.796 -20.280 1.00 0.00 C ATOM 0 HA PRO A 64 -5.825 10.593 -21.813 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -5.103 13.547 -21.749 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -5.716 12.618 -23.102 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -7.322 14.303 -21.810 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -7.940 12.763 -22.376 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -7.218 13.594 -19.576 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -8.497 12.522 -20.113 1.00 0.00 H new ATOM 942 N TRP A 65 -3.408 10.573 -21.518 1.00 0.00 N ATOM 943 CA TRP A 65 -2.002 10.306 -21.194 1.00 0.00 C ATOM 944 C TRP A 65 -1.142 11.571 -21.243 1.00 0.00 C ATOM 945 O TRP A 65 0.026 11.559 -20.847 1.00 0.00 O ATOM 946 CB TRP A 65 -1.434 9.259 -22.158 1.00 0.00 C ATOM 947 CG TRP A 65 -1.400 9.701 -23.594 1.00 0.00 C ATOM 948 CD1 TRP A 65 -2.442 9.716 -24.478 1.00 0.00 C ATOM 949 CD2 TRP A 65 -0.260 10.181 -24.315 1.00 0.00 C ATOM 950 NE1 TRP A 65 -2.018 10.174 -25.701 1.00 0.00 N ATOM 951 CE2 TRP A 65 -0.683 10.466 -25.627 1.00 0.00 C ATOM 952 CE3 TRP A 65 1.080 10.398 -23.979 1.00 0.00 C ATOM 953 CZ2 TRP A 65 0.182 10.959 -26.599 1.00 0.00 C ATOM 954 CZ3 TRP A 65 1.938 10.887 -24.944 1.00 0.00 C ATOM 955 CH2 TRP A 65 1.487 11.161 -26.241 1.00 0.00 C ATOM 0 H TRP A 65 -3.739 10.089 -22.353 1.00 0.00 H new ATOM 0 HA TRP A 65 -1.972 9.929 -20.172 1.00 0.00 H new ATOM 0 HB2 TRP A 65 -0.422 9.003 -21.844 1.00 0.00 H new ATOM 0 HB3 TRP A 65 -2.031 8.350 -22.083 1.00 0.00 H new ATOM 0 HD1 TRP A 65 -3.452 9.412 -24.248 1.00 0.00 H new ATOM 0 HE1 TRP A 65 -2.603 10.279 -26.530 1.00 0.00 H new ATOM 0 HE3 TRP A 65 1.438 10.187 -22.982 1.00 0.00 H new ATOM 0 HZ2 TRP A 65 -0.164 11.174 -27.599 1.00 0.00 H new ATOM 0 HZ3 TRP A 65 2.974 11.061 -24.694 1.00 0.00 H new ATOM 0 HH2 TRP A 65 2.184 11.540 -26.974 1.00 0.00 H new ATOM 966 N LEU A 66 -1.725 12.654 -21.731 1.00 0.00 N ATOM 967 CA LEU A 66 -1.024 13.925 -21.846 1.00 0.00 C ATOM 968 C LEU A 66 -0.842 14.594 -20.483 1.00 0.00 C ATOM 969 O LEU A 66 -0.014 15.493 -20.333 1.00 0.00 O ATOM 970 CB LEU A 66 -1.780 14.856 -22.795 1.00 0.00 C ATOM 971 CG LEU A 66 -1.870 14.368 -24.242 1.00 0.00 C ATOM 972 CD1 LEU A 66 -2.720 15.314 -25.071 1.00 0.00 C ATOM 973 CD2 LEU A 66 -0.479 14.233 -24.846 1.00 0.00 C ATOM 0 H LEU A 66 -2.691 12.679 -22.057 1.00 0.00 H new ATOM 0 HA LEU A 66 -0.032 13.724 -22.251 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -2.790 14.999 -22.412 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -1.295 15.832 -22.786 1.00 0.00 H new ATOM 0 HG LEU A 66 -2.344 13.387 -24.246 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -2.773 14.951 -26.097 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -3.725 15.363 -24.651 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -2.274 16.308 -25.060 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -0.562 13.885 -25.876 1.00 0.00 H new ATOM 0 HD22 LEU A 66 0.020 15.202 -24.829 1.00 0.00 H new ATOM 0 HD23 LEU A 66 0.101 13.516 -24.266 1.00 0.00 H new ATOM 985 N GLN A 67 -1.606 14.156 -19.490 1.00 0.00 N ATOM 986 CA GLN A 67 -1.481 14.699 -18.143 1.00 0.00 C ATOM 987 C GLN A 67 -0.685 13.759 -17.246 1.00 0.00 C ATOM 988 O GLN A 67 -0.300 12.665 -17.659 1.00 0.00 O ATOM 989 CB GLN A 67 -2.851 14.976 -17.523 1.00 0.00 C ATOM 990 CG GLN A 67 -3.434 16.323 -17.915 1.00 0.00 C ATOM 991 CD GLN A 67 -4.595 16.721 -17.025 1.00 0.00 C ATOM 992 OE1 GLN A 67 -4.401 17.315 -15.966 1.00 0.00 O ATOM 993 NE2 GLN A 67 -5.810 16.425 -17.455 1.00 0.00 N ATOM 0 H GLN A 67 -2.315 13.430 -19.591 1.00 0.00 H new ATOM 0 HA GLN A 67 -0.944 15.644 -18.225 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -3.542 14.189 -17.823 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -2.766 14.928 -16.437 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -2.656 17.085 -17.858 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -3.768 16.285 -18.952 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -5.932 15.931 -18.339 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -6.625 16.691 -16.903 1.00 0.00 H new ATOM 1002 N THR A 68 -0.431 14.206 -16.023 1.00 0.00 N ATOM 1003 CA THR A 68 0.336 13.430 -15.056 1.00 0.00 C ATOM 1004 C THR A 68 -0.532 12.354 -14.399 1.00 0.00 C ATOM 1005 O THR A 68 -0.026 11.368 -13.866 1.00 0.00 O ATOM 1006 CB THR A 68 0.924 14.357 -13.973 1.00 0.00 C ATOM 1007 OG1 THR A 68 1.540 15.493 -14.598 1.00 0.00 O ATOM 1008 CG2 THR A 68 1.958 13.627 -13.125 1.00 0.00 C ATOM 0 H THR A 68 -0.748 15.111 -15.674 1.00 0.00 H new ATOM 0 HA THR A 68 1.149 12.939 -15.591 1.00 0.00 H new ATOM 0 HB THR A 68 0.111 14.680 -13.323 1.00 0.00 H new ATOM 0 HG1 THR A 68 1.912 16.083 -13.910 1.00 0.00 H new ATOM 0 HG21 THR A 68 2.355 14.306 -12.370 1.00 0.00 H new ATOM 0 HG22 THR A 68 1.490 12.774 -12.635 1.00 0.00 H new ATOM 0 HG23 THR A 68 2.771 13.278 -13.762 1.00 0.00 H new ATOM 1016 N GLY A 69 -1.844 12.548 -14.438 1.00 0.00 N ATOM 1017 CA GLY A 69 -2.752 11.576 -13.862 1.00 0.00 C ATOM 1018 C GLY A 69 -3.263 11.994 -12.499 1.00 0.00 C ATOM 1019 O GLY A 69 -4.469 12.066 -12.280 1.00 0.00 O ATOM 0 H GLY A 69 -2.295 13.361 -14.858 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -3.598 11.431 -14.534 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -2.244 10.615 -13.777 1.00 0.00 H new ATOM 1091 N HIS A 74 -8.829 13.799 -7.373 1.00 0.00 N ATOM 1092 CA HIS A 74 -9.164 12.479 -6.867 1.00 0.00 C ATOM 1093 C HIS A 74 -10.054 12.593 -5.640 1.00 0.00 C ATOM 1094 O HIS A 74 -9.944 13.550 -4.869 1.00 0.00 O ATOM 1095 CB HIS A 74 -7.892 11.697 -6.516 1.00 0.00 C ATOM 1096 CG HIS A 74 -7.116 11.207 -7.706 1.00 0.00 C ATOM 1097 ND1 HIS A 74 -6.300 12.015 -8.471 1.00 0.00 N ATOM 1098 CD2 HIS A 74 -7.030 9.971 -8.257 1.00 0.00 C ATOM 1099 CE1 HIS A 74 -5.750 11.300 -9.432 1.00 0.00 C ATOM 1100 NE2 HIS A 74 -6.173 10.057 -9.326 1.00 0.00 N ATOM 0 HA HIS A 74 -9.702 11.941 -7.648 1.00 0.00 H new ATOM 0 HB2 HIS A 74 -7.244 12.333 -5.912 1.00 0.00 H new ATOM 0 HB3 HIS A 74 -8.165 10.841 -5.898 1.00 0.00 H new ATOM 0 HD1 HIS A 74 -6.146 13.011 -8.317 1.00 0.00 H new ATOM 0 HD2 HIS A 74 -7.542 9.083 -7.917 1.00 0.00 H new ATOM 0 HE1 HIS A 74 -5.067 11.671 -10.181 1.00 0.00 H new ATOM 1109 N ALA A 75 -10.932 11.616 -5.469 1.00 0.00 N ATOM 1110 CA ALA A 75 -11.843 11.595 -4.341 1.00 0.00 C ATOM 1111 C ALA A 75 -11.095 11.289 -3.054 1.00 0.00 C ATOM 1112 O ALA A 75 -10.048 10.638 -3.069 1.00 0.00 O ATOM 1113 CB ALA A 75 -12.944 10.573 -4.571 1.00 0.00 C ATOM 0 H ALA A 75 -11.031 10.823 -6.103 1.00 0.00 H new ATOM 0 HA ALA A 75 -12.297 12.581 -4.246 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -13.620 10.568 -3.716 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -13.500 10.833 -5.472 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -12.503 9.583 -4.690 1.00 0.00 H new ATOM 1119 N ASP A 76 -11.642 11.753 -1.946 1.00 0.00 N ATOM 1120 CA ASP A 76 -11.033 11.564 -0.642 1.00 0.00 C ATOM 1121 C ASP A 76 -11.350 10.177 -0.111 1.00 0.00 C ATOM 1122 O ASP A 76 -10.734 9.700 0.841 1.00 0.00 O ATOM 1123 CB ASP A 76 -11.544 12.626 0.327 1.00 0.00 C ATOM 1124 CG ASP A 76 -11.247 14.031 -0.151 1.00 0.00 C ATOM 1125 OD1 ASP A 76 -12.047 14.576 -0.941 1.00 0.00 O ATOM 1126 OD2 ASP A 76 -10.214 14.600 0.247 1.00 0.00 O ATOM 0 H ASP A 76 -12.520 12.271 -1.924 1.00 0.00 H new ATOM 0 HA ASP A 76 -9.952 11.662 -0.739 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -12.620 12.509 0.457 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -11.087 12.473 1.304 1.00 0.00 H new ATOM 1131 N ASP A 77 -12.315 9.532 -0.750 1.00 0.00 N ATOM 1132 CA ASP A 77 -12.724 8.183 -0.380 1.00 0.00 C ATOM 1133 C ASP A 77 -11.768 7.156 -0.978 1.00 0.00 C ATOM 1134 O ASP A 77 -11.942 5.948 -0.811 1.00 0.00 O ATOM 1135 CB ASP A 77 -14.154 7.911 -0.846 1.00 0.00 C ATOM 1136 CG ASP A 77 -15.159 8.853 -0.210 1.00 0.00 C ATOM 1137 OD1 ASP A 77 -15.596 8.587 0.931 1.00 0.00 O ATOM 1138 OD2 ASP A 77 -15.523 9.859 -0.849 1.00 0.00 O ATOM 0 H ASP A 77 -12.834 9.925 -1.535 1.00 0.00 H new ATOM 0 HA ASP A 77 -12.692 8.098 0.706 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -14.205 8.009 -1.930 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -14.422 6.882 -0.606 1.00 0.00 H new ATOM 1143 N CYS A 78 -10.765 7.652 -1.689 1.00 0.00 N ATOM 1144 CA CYS A 78 -9.705 6.812 -2.211 1.00 0.00 C ATOM 1145 C CYS A 78 -8.559 6.763 -1.205 1.00 0.00 C ATOM 1146 O CYS A 78 -7.915 7.779 -0.951 1.00 0.00 O ATOM 1147 CB CYS A 78 -9.205 7.356 -3.551 1.00 0.00 C ATOM 1148 SG CYS A 78 -10.491 7.524 -4.811 1.00 0.00 S ATOM 0 H CYS A 78 -10.666 8.641 -1.917 1.00 0.00 H new ATOM 0 HA CYS A 78 -10.092 5.806 -2.371 1.00 0.00 H new ATOM 0 HB2 CYS A 78 -8.745 8.330 -3.386 1.00 0.00 H new ATOM 0 HB3 CYS A 78 -8.425 6.695 -3.930 1.00 0.00 H new ATOM 0 HG CYS A 78 -10.093 6.965 -5.915 1.00 0.00 H new ATOM 1154 N PRO A 79 -8.286 5.581 -0.624 1.00 0.00 N ATOM 1155 CA PRO A 79 -7.277 5.416 0.438 1.00 0.00 C ATOM 1156 C PRO A 79 -5.859 5.825 0.026 1.00 0.00 C ATOM 1157 O PRO A 79 -4.944 5.807 0.848 1.00 0.00 O ATOM 1158 CB PRO A 79 -7.323 3.919 0.760 1.00 0.00 C ATOM 1159 CG PRO A 79 -8.012 3.284 -0.400 1.00 0.00 C ATOM 1160 CD PRO A 79 -8.960 4.313 -0.935 1.00 0.00 C ATOM 0 HA PRO A 79 -7.506 6.065 1.283 1.00 0.00 H new ATOM 0 HB2 PRO A 79 -6.319 3.514 0.890 1.00 0.00 H new ATOM 0 HB3 PRO A 79 -7.864 3.733 1.688 1.00 0.00 H new ATOM 0 HG2 PRO A 79 -7.294 2.982 -1.162 1.00 0.00 H new ATOM 0 HG3 PRO A 79 -8.546 2.385 -0.092 1.00 0.00 H new ATOM 0 HD2 PRO A 79 -9.121 4.194 -2.006 1.00 0.00 H new ATOM 0 HD3 PRO A 79 -9.937 4.248 -0.457 1.00 0.00 H new ATOM 1168 N VAL A 80 -5.679 6.202 -1.235 1.00 0.00 N ATOM 1169 CA VAL A 80 -4.388 6.684 -1.713 1.00 0.00 C ATOM 1170 C VAL A 80 -4.004 7.974 -0.989 1.00 0.00 C ATOM 1171 O VAL A 80 -2.826 8.236 -0.747 1.00 0.00 O ATOM 1172 CB VAL A 80 -4.402 6.925 -3.241 1.00 0.00 C ATOM 1173 CG1 VAL A 80 -3.057 7.446 -3.726 1.00 0.00 C ATOM 1174 CG2 VAL A 80 -4.769 5.646 -3.975 1.00 0.00 C ATOM 0 H VAL A 80 -6.411 6.183 -1.945 1.00 0.00 H new ATOM 0 HA VAL A 80 -3.648 5.913 -1.498 1.00 0.00 H new ATOM 0 HB VAL A 80 -5.155 7.683 -3.456 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -3.096 7.606 -4.803 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -2.830 8.388 -3.227 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -2.280 6.717 -3.496 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -4.775 5.832 -5.049 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -4.037 4.872 -3.744 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -5.759 5.316 -3.659 1.00 0.00 H new ATOM 1184 N VAL A 81 -5.007 8.770 -0.624 1.00 0.00 N ATOM 1185 CA VAL A 81 -4.768 9.995 0.127 1.00 0.00 C ATOM 1186 C VAL A 81 -4.168 9.676 1.493 1.00 0.00 C ATOM 1187 O VAL A 81 -3.314 10.405 1.998 1.00 0.00 O ATOM 1188 CB VAL A 81 -6.060 10.824 0.309 1.00 0.00 C ATOM 1189 CG1 VAL A 81 -6.560 11.346 -1.030 1.00 0.00 C ATOM 1190 CG2 VAL A 81 -7.148 10.016 1.004 1.00 0.00 C ATOM 0 H VAL A 81 -5.988 8.588 -0.836 1.00 0.00 H new ATOM 0 HA VAL A 81 -4.063 10.592 -0.451 1.00 0.00 H new ATOM 0 HB VAL A 81 -5.816 11.675 0.945 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -7.470 11.926 -0.877 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -5.797 11.980 -1.481 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -6.772 10.506 -1.692 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -8.042 10.630 1.115 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -7.385 9.135 0.407 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -6.797 9.704 1.988 1.00 0.00 H new ATOM 1200 N ILE A 82 -4.626 8.577 2.074 1.00 0.00 N ATOM 1201 CA ILE A 82 -4.082 8.075 3.328 1.00 0.00 C ATOM 1202 C ILE A 82 -2.650 7.594 3.124 1.00 0.00 C ATOM 1203 O ILE A 82 -1.761 7.920 3.909 1.00 0.00 O ATOM 1204 CB ILE A 82 -4.935 6.915 3.895 1.00 0.00 C ATOM 1205 CG1 ILE A 82 -6.368 7.384 4.175 1.00 0.00 C ATOM 1206 CG2 ILE A 82 -4.305 6.352 5.164 1.00 0.00 C ATOM 1207 CD1 ILE A 82 -6.467 8.433 5.263 1.00 0.00 C ATOM 0 H ILE A 82 -5.382 8.010 1.692 1.00 0.00 H new ATOM 0 HA ILE A 82 -4.099 8.896 4.045 1.00 0.00 H new ATOM 0 HB ILE A 82 -4.970 6.123 3.147 1.00 0.00 H new ATOM 0 HG12 ILE A 82 -6.795 7.786 3.256 1.00 0.00 H new ATOM 0 HG13 ILE A 82 -6.973 6.523 4.458 1.00 0.00 H new ATOM 0 HG21 ILE A 82 -4.921 5.538 5.546 1.00 0.00 H new ATOM 0 HG22 ILE A 82 -3.307 5.977 4.939 1.00 0.00 H new ATOM 0 HG23 ILE A 82 -4.236 7.138 5.916 1.00 0.00 H new ATOM 0 HD11 ILE A 82 -7.511 8.714 5.403 1.00 0.00 H new ATOM 0 HD12 ILE A 82 -6.071 8.029 6.195 1.00 0.00 H new ATOM 0 HD13 ILE A 82 -5.890 9.312 4.975 1.00 0.00 H new ATOM 1219 N ALA A 83 -2.438 6.834 2.050 1.00 0.00 N ATOM 1220 CA ALA A 83 -1.119 6.299 1.720 1.00 0.00 C ATOM 1221 C ALA A 83 -0.089 7.414 1.584 1.00 0.00 C ATOM 1222 O ALA A 83 1.007 7.325 2.139 1.00 0.00 O ATOM 1223 CB ALA A 83 -1.187 5.480 0.440 1.00 0.00 C ATOM 0 H ALA A 83 -3.170 6.574 1.389 1.00 0.00 H new ATOM 0 HA ALA A 83 -0.804 5.650 2.537 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -0.197 5.088 0.206 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -1.883 4.652 0.574 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -1.529 6.113 -0.379 1.00 0.00 H new ATOM 1229 N LYS A 84 -0.450 8.466 0.854 1.00 0.00 N ATOM 1230 CA LYS A 84 0.427 9.623 0.690 1.00 0.00 C ATOM 1231 C LYS A 84 0.785 10.224 2.046 1.00 0.00 C ATOM 1232 O LYS A 84 1.947 10.510 2.327 1.00 0.00 O ATOM 1233 CB LYS A 84 -0.234 10.700 -0.174 1.00 0.00 C ATOM 1234 CG LYS A 84 -0.440 10.308 -1.627 1.00 0.00 C ATOM 1235 CD LYS A 84 -0.974 11.484 -2.429 1.00 0.00 C ATOM 1236 CE LYS A 84 -1.223 11.122 -3.883 1.00 0.00 C ATOM 1237 NZ LYS A 84 -1.667 12.308 -4.667 1.00 0.00 N ATOM 0 H LYS A 84 -1.343 8.542 0.367 1.00 0.00 H new ATOM 0 HA LYS A 84 1.333 9.276 0.194 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -1.201 10.953 0.261 1.00 0.00 H new ATOM 0 HB3 LYS A 84 0.377 11.602 -0.138 1.00 0.00 H new ATOM 0 HG2 LYS A 84 0.503 9.968 -2.055 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -1.137 9.473 -1.688 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -1.903 11.836 -1.980 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -0.263 12.309 -2.378 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -0.311 10.715 -4.320 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -1.981 10.341 -3.941 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -1.829 12.030 -5.656 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -2.550 12.681 -4.263 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -0.932 13.043 -4.630 1.00 0.00 H new ATOM 1251 N GLN A 85 -0.228 10.399 2.882 1.00 0.00 N ATOM 1252 CA GLN A 85 -0.056 10.970 4.206 1.00 0.00 C ATOM 1253 C GLN A 85 0.847 10.101 5.076 1.00 0.00 C ATOM 1254 O GLN A 85 1.553 10.602 5.951 1.00 0.00 O ATOM 1255 CB GLN A 85 -1.421 11.129 4.867 1.00 0.00 C ATOM 1256 CG GLN A 85 -2.192 12.354 4.412 1.00 0.00 C ATOM 1257 CD GLN A 85 -3.604 12.381 4.960 1.00 0.00 C ATOM 1258 OE1 GLN A 85 -3.846 12.856 6.068 1.00 0.00 O ATOM 1259 NE2 GLN A 85 -4.544 11.869 4.185 1.00 0.00 N ATOM 0 H GLN A 85 -1.191 10.149 2.660 1.00 0.00 H new ATOM 0 HA GLN A 85 0.422 11.944 4.102 1.00 0.00 H new ATOM 0 HB2 GLN A 85 -2.018 10.240 4.661 1.00 0.00 H new ATOM 0 HB3 GLN A 85 -1.286 11.179 5.947 1.00 0.00 H new ATOM 0 HG2 GLN A 85 -1.664 13.252 4.731 1.00 0.00 H new ATOM 0 HG3 GLN A 85 -2.227 12.375 3.323 1.00 0.00 H new ATOM 0 HE21 GLN A 85 -4.299 11.485 3.272 1.00 0.00 H new ATOM 0 HE22 GLN A 85 -5.514 11.858 4.500 1.00 0.00 H new ATOM 1268 N ILE A 86 0.821 8.802 4.833 1.00 0.00 N ATOM 1269 CA ILE A 86 1.627 7.867 5.601 1.00 0.00 C ATOM 1270 C ILE A 86 3.097 7.939 5.193 1.00 0.00 C ATOM 1271 O ILE A 86 3.976 8.083 6.043 1.00 0.00 O ATOM 1272 CB ILE A 86 1.096 6.422 5.454 1.00 0.00 C ATOM 1273 CG1 ILE A 86 -0.275 6.299 6.126 1.00 0.00 C ATOM 1274 CG2 ILE A 86 2.074 5.411 6.042 1.00 0.00 C ATOM 1275 CD1 ILE A 86 -0.883 4.917 6.026 1.00 0.00 C ATOM 0 H ILE A 86 0.249 8.369 4.108 1.00 0.00 H new ATOM 0 HA ILE A 86 1.551 8.154 6.650 1.00 0.00 H new ATOM 0 HB ILE A 86 0.992 6.201 4.392 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -0.179 6.568 7.178 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -0.957 7.019 5.674 1.00 0.00 H new ATOM 0 HG21 ILE A 86 1.672 4.405 5.923 1.00 0.00 H new ATOM 0 HG22 ILE A 86 3.029 5.484 5.522 1.00 0.00 H new ATOM 0 HG23 ILE A 86 2.221 5.620 7.102 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -1.852 4.909 6.525 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -1.013 4.652 4.977 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -0.223 4.194 6.504 1.00 0.00 H new ATOM 1287 N LEU A 87 3.363 7.870 3.893 1.00 0.00 N ATOM 1288 CA LEU A 87 4.739 7.854 3.402 1.00 0.00 C ATOM 1289 C LEU A 87 5.386 9.243 3.460 1.00 0.00 C ATOM 1290 O LEU A 87 6.603 9.372 3.350 1.00 0.00 O ATOM 1291 CB LEU A 87 4.800 7.261 1.983 1.00 0.00 C ATOM 1292 CG LEU A 87 3.886 7.906 0.933 1.00 0.00 C ATOM 1293 CD1 LEU A 87 4.508 9.173 0.374 1.00 0.00 C ATOM 1294 CD2 LEU A 87 3.587 6.921 -0.186 1.00 0.00 C ATOM 0 H LEU A 87 2.651 7.825 3.164 1.00 0.00 H new ATOM 0 HA LEU A 87 5.319 7.212 4.064 1.00 0.00 H new ATOM 0 HB2 LEU A 87 5.828 7.329 1.628 1.00 0.00 H new ATOM 0 HB3 LEU A 87 4.554 6.201 2.045 1.00 0.00 H new ATOM 0 HG LEU A 87 2.949 8.177 1.419 1.00 0.00 H new ATOM 0 HD11 LEU A 87 3.840 9.610 -0.368 1.00 0.00 H new ATOM 0 HD12 LEU A 87 4.669 9.886 1.182 1.00 0.00 H new ATOM 0 HD13 LEU A 87 5.463 8.934 -0.094 1.00 0.00 H new ATOM 0 HD21 LEU A 87 2.938 7.394 -0.923 1.00 0.00 H new ATOM 0 HD22 LEU A 87 4.519 6.620 -0.664 1.00 0.00 H new ATOM 0 HD23 LEU A 87 3.090 6.043 0.226 1.00 0.00 H new ATOM 1306 N SER A 88 4.571 10.275 3.632 1.00 0.00 N ATOM 1307 CA SER A 88 5.081 11.625 3.802 1.00 0.00 C ATOM 1308 C SER A 88 5.101 12.012 5.281 1.00 0.00 C ATOM 1309 O SER A 88 5.347 13.170 5.622 1.00 0.00 O ATOM 1310 CB SER A 88 4.233 12.615 3.004 1.00 0.00 C ATOM 1311 OG SER A 88 4.456 12.486 1.606 1.00 0.00 O ATOM 0 H SER A 88 3.554 10.201 3.657 1.00 0.00 H new ATOM 0 HA SER A 88 6.104 11.657 3.426 1.00 0.00 H new ATOM 0 HB2 SER A 88 3.178 12.449 3.222 1.00 0.00 H new ATOM 0 HB3 SER A 88 4.468 13.632 3.318 1.00 0.00 H new ATOM 0 HG SER A 88 3.898 13.132 1.125 1.00 0.00 H new ATOM 1317 N SER A 89 4.853 11.025 6.146 1.00 0.00 N ATOM 1318 CA SER A 89 4.846 11.211 7.603 1.00 0.00 C ATOM 1319 C SER A 89 4.011 12.425 8.034 1.00 0.00 C ATOM 1320 O SER A 89 4.549 13.472 8.401 1.00 0.00 O ATOM 1321 CB SER A 89 6.281 11.306 8.155 1.00 0.00 C ATOM 1322 OG SER A 89 7.049 12.298 7.483 1.00 0.00 O ATOM 0 H SER A 89 4.650 10.068 5.856 1.00 0.00 H new ATOM 0 HA SER A 89 4.369 10.329 8.032 1.00 0.00 H new ATOM 0 HB2 SER A 89 6.245 11.536 9.220 1.00 0.00 H new ATOM 0 HB3 SER A 89 6.772 10.338 8.055 1.00 0.00 H new ATOM 0 HG SER A 89 6.448 12.931 7.037 1.00 0.00 H new ATOM 1328 N ARG A 90 2.691 12.275 7.974 1.00 0.00 N ATOM 1329 CA ARG A 90 1.771 13.335 8.383 1.00 0.00 C ATOM 1330 C ARG A 90 1.833 13.570 9.890 1.00 0.00 C ATOM 1331 O ARG A 90 1.943 12.623 10.668 1.00 0.00 O ATOM 1332 CB ARG A 90 0.330 12.994 7.979 1.00 0.00 C ATOM 1333 CG ARG A 90 -0.169 11.663 8.524 1.00 0.00 C ATOM 1334 CD ARG A 90 -1.648 11.463 8.238 1.00 0.00 C ATOM 1335 NE ARG A 90 -2.074 10.083 8.487 1.00 0.00 N ATOM 1336 CZ ARG A 90 -3.270 9.598 8.150 1.00 0.00 C ATOM 1337 NH1 ARG A 90 -4.173 10.387 7.578 1.00 0.00 N ATOM 1338 NH2 ARG A 90 -3.561 8.321 8.383 1.00 0.00 N ATOM 0 H ARG A 90 2.232 11.426 7.645 1.00 0.00 H new ATOM 0 HA ARG A 90 2.080 14.247 7.872 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -0.331 13.788 8.327 1.00 0.00 H new ATOM 0 HB3 ARG A 90 0.263 12.977 6.891 1.00 0.00 H new ATOM 0 HG2 ARG A 90 0.402 10.849 8.078 1.00 0.00 H new ATOM 0 HG3 ARG A 90 0.004 11.621 9.599 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -2.232 12.141 8.860 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -1.855 11.725 7.200 1.00 0.00 H new ATOM 0 HE ARG A 90 -1.415 9.454 8.946 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -3.952 11.366 7.396 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -5.087 10.014 7.321 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -2.869 7.712 8.820 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -4.476 7.951 8.125 1.00 0.00 H new ATOM 1710 N TYR B 18 -1.109 5.153 13.276 1.00 0.00 N ATOM 1711 CA TYR B 18 0.067 5.825 12.724 1.00 0.00 C ATOM 1712 C TYR B 18 1.340 5.064 13.109 1.00 0.00 C ATOM 1713 O TYR B 18 1.311 4.226 14.011 1.00 0.00 O ATOM 1714 CB TYR B 18 0.135 7.267 13.249 1.00 0.00 C ATOM 1715 CG TYR B 18 1.157 8.142 12.556 1.00 0.00 C ATOM 1716 CD1 TYR B 18 0.949 8.590 11.258 1.00 0.00 C ATOM 1717 CD2 TYR B 18 2.327 8.522 13.199 1.00 0.00 C ATOM 1718 CE1 TYR B 18 1.878 9.391 10.622 1.00 0.00 C ATOM 1719 CE2 TYR B 18 3.260 9.324 12.572 1.00 0.00 C ATOM 1720 CZ TYR B 18 3.031 9.754 11.284 1.00 0.00 C ATOM 1721 OH TYR B 18 3.949 10.564 10.659 1.00 0.00 O ATOM 0 HA TYR B 18 -0.013 5.844 11.637 1.00 0.00 H new ATOM 0 HB2 TYR B 18 -0.848 7.725 13.143 1.00 0.00 H new ATOM 0 HB3 TYR B 18 0.361 7.241 14.315 1.00 0.00 H new ATOM 0 HD1 TYR B 18 0.046 8.308 10.737 1.00 0.00 H new ATOM 0 HD2 TYR B 18 2.511 8.184 14.208 1.00 0.00 H new ATOM 0 HE1 TYR B 18 1.702 9.731 9.612 1.00 0.00 H new ATOM 0 HE2 TYR B 18 4.164 9.612 13.089 1.00 0.00 H new ATOM 0 HH TYR B 18 3.555 11.448 10.507 1.00 0.00 H new ATOM 1731 N PHE B 19 2.446 5.356 12.414 1.00 0.00 N ATOM 1732 CA PHE B 19 3.756 4.768 12.725 1.00 0.00 C ATOM 1733 C PHE B 19 4.151 4.979 14.184 1.00 0.00 C ATOM 1734 O PHE B 19 4.719 4.092 14.816 1.00 0.00 O ATOM 1735 CB PHE B 19 4.850 5.377 11.842 1.00 0.00 C ATOM 1736 CG PHE B 19 4.802 4.959 10.402 1.00 0.00 C ATOM 1737 CD1 PHE B 19 4.627 3.629 10.055 1.00 0.00 C ATOM 1738 CD2 PHE B 19 4.959 5.895 9.393 1.00 0.00 C ATOM 1739 CE1 PHE B 19 4.609 3.242 8.732 1.00 0.00 C ATOM 1740 CE2 PHE B 19 4.938 5.513 8.066 1.00 0.00 C ATOM 1741 CZ PHE B 19 4.764 4.184 7.736 1.00 0.00 C ATOM 0 H PHE B 19 2.459 6.002 11.625 1.00 0.00 H new ATOM 0 HA PHE B 19 3.663 3.699 12.533 1.00 0.00 H new ATOM 0 HB2 PHE B 19 4.776 6.463 11.893 1.00 0.00 H new ATOM 0 HB3 PHE B 19 5.822 5.104 12.253 1.00 0.00 H new ATOM 0 HD1 PHE B 19 4.503 2.887 10.830 1.00 0.00 H new ATOM 0 HD2 PHE B 19 5.099 6.935 9.647 1.00 0.00 H new ATOM 0 HE1 PHE B 19 4.474 2.202 8.475 1.00 0.00 H new ATOM 0 HE2 PHE B 19 5.057 6.253 7.288 1.00 0.00 H new ATOM 0 HZ PHE B 19 4.749 3.882 6.699 1.00 0.00 H new ATOM 1751 N GLN B 20 3.873 6.164 14.709 1.00 0.00 N ATOM 1752 CA GLN B 20 4.253 6.489 16.073 1.00 0.00 C ATOM 1753 C GLN B 20 3.353 5.739 17.043 1.00 0.00 C ATOM 1754 O GLN B 20 2.137 5.943 17.075 1.00 0.00 O ATOM 1755 CB GLN B 20 4.193 7.997 16.302 1.00 0.00 C ATOM 1756 CG GLN B 20 4.963 8.446 17.529 1.00 0.00 C ATOM 1757 CD GLN B 20 5.408 9.890 17.430 1.00 0.00 C ATOM 1758 OE1 GLN B 20 4.739 10.722 16.817 1.00 0.00 O ATOM 1759 NE2 GLN B 20 6.554 10.197 18.016 1.00 0.00 N ATOM 0 H GLN B 20 3.388 6.912 14.213 1.00 0.00 H new ATOM 0 HA GLN B 20 5.283 6.176 16.247 1.00 0.00 H new ATOM 0 HB2 GLN B 20 4.591 8.507 15.425 1.00 0.00 H new ATOM 0 HB3 GLN B 20 3.151 8.301 16.403 1.00 0.00 H new ATOM 0 HG2 GLN B 20 4.339 8.320 18.414 1.00 0.00 H new ATOM 0 HG3 GLN B 20 5.836 7.807 17.662 1.00 0.00 H new ATOM 0 HE21 GLN B 20 7.080 9.479 18.515 1.00 0.00 H new ATOM 0 HE22 GLN B 20 6.911 11.151 17.969 1.00 0.00 H new ATOM 1768 N GLY B 21 3.962 4.858 17.815 1.00 0.00 N ATOM 1769 CA GLY B 21 3.209 3.900 18.589 1.00 0.00 C ATOM 1770 C GLY B 21 3.052 2.618 17.806 1.00 0.00 C ATOM 1771 O GLY B 21 3.642 1.598 18.157 1.00 0.00 O ATOM 0 H GLY B 21 4.974 4.789 17.920 1.00 0.00 H new ATOM 0 HA2 GLY B 21 3.718 3.701 19.532 1.00 0.00 H new ATOM 0 HA3 GLY B 21 2.229 4.308 18.836 1.00 0.00 H new ATOM 1775 N MET B 22 2.264 2.702 16.732 1.00 0.00 N ATOM 1776 CA MET B 22 2.118 1.632 15.739 1.00 0.00 C ATOM 1777 C MET B 22 1.477 0.381 16.338 1.00 0.00 C ATOM 1778 O MET B 22 0.297 0.122 16.107 1.00 0.00 O ATOM 1779 CB MET B 22 3.479 1.303 15.115 1.00 0.00 C ATOM 1780 CG MET B 22 3.379 0.760 13.706 1.00 0.00 C ATOM 1781 SD MET B 22 4.964 0.717 12.858 1.00 0.00 S ATOM 1782 CE MET B 22 4.429 0.301 11.205 1.00 0.00 C ATOM 0 H MET B 22 1.701 3.526 16.523 1.00 0.00 H new ATOM 0 HA MET B 22 1.448 1.991 14.958 1.00 0.00 H new ATOM 0 HB2 MET B 22 4.094 2.203 15.107 1.00 0.00 H new ATOM 0 HB3 MET B 22 3.991 0.573 15.742 1.00 0.00 H new ATOM 0 HG2 MET B 22 2.963 -0.247 13.739 1.00 0.00 H new ATOM 0 HG3 MET B 22 2.683 1.374 13.134 1.00 0.00 H new ATOM 0 HE1 MET B 22 5.250 0.459 10.506 1.00 0.00 H new ATOM 0 HE2 MET B 22 4.122 -0.744 11.174 1.00 0.00 H new ATOM 0 HE3 MET B 22 3.587 0.934 10.925 1.00 0.00 H new ATOM 1792 N THR B 23 2.269 -0.367 17.105 1.00 0.00 N ATOM 1793 CA THR B 23 1.840 -1.575 17.816 1.00 0.00 C ATOM 1794 C THR B 23 0.996 -2.537 16.971 1.00 0.00 C ATOM 1795 O THR B 23 1.534 -3.448 16.339 1.00 0.00 O ATOM 1796 CB THR B 23 1.098 -1.237 19.134 1.00 0.00 C ATOM 1797 OG1 THR B 23 0.032 -0.306 18.899 1.00 0.00 O ATOM 1798 CG2 THR B 23 2.061 -0.655 20.160 1.00 0.00 C ATOM 0 H THR B 23 3.253 -0.145 17.254 1.00 0.00 H new ATOM 0 HA THR B 23 2.768 -2.098 18.050 1.00 0.00 H new ATOM 0 HB THR B 23 0.678 -2.165 19.522 1.00 0.00 H new ATOM 0 HG1 THR B 23 -0.423 -0.109 19.745 1.00 0.00 H new ATOM 0 HG21 THR B 23 1.520 -0.425 21.078 1.00 0.00 H new ATOM 0 HG22 THR B 23 2.846 -1.380 20.374 1.00 0.00 H new ATOM 0 HG23 THR B 23 2.507 0.257 19.764 1.00 0.00 H new ATOM 1806 N ASP B 24 -0.315 -2.315 16.950 1.00 0.00 N ATOM 1807 CA ASP B 24 -1.256 -3.295 16.414 1.00 0.00 C ATOM 1808 C ASP B 24 -2.172 -2.696 15.336 1.00 0.00 C ATOM 1809 O ASP B 24 -2.219 -3.198 14.213 1.00 0.00 O ATOM 1810 CB ASP B 24 -2.074 -3.868 17.575 1.00 0.00 C ATOM 1811 CG ASP B 24 -3.137 -4.858 17.148 1.00 0.00 C ATOM 1812 OD1 ASP B 24 -2.812 -5.835 16.444 1.00 0.00 O ATOM 1813 OD2 ASP B 24 -4.306 -4.677 17.550 1.00 0.00 O ATOM 0 H ASP B 24 -0.752 -1.462 17.299 1.00 0.00 H new ATOM 0 HA ASP B 24 -0.693 -4.090 15.924 1.00 0.00 H new ATOM 0 HB2 ASP B 24 -1.398 -4.356 18.277 1.00 0.00 H new ATOM 0 HB3 ASP B 24 -2.551 -3.047 18.111 1.00 0.00 H new ATOM 1818 N THR B 25 -2.871 -1.610 15.669 1.00 0.00 N ATOM 1819 CA THR B 25 -3.826 -0.973 14.747 1.00 0.00 C ATOM 1820 C THR B 25 -3.147 -0.457 13.473 1.00 0.00 C ATOM 1821 O THR B 25 -3.813 -0.187 12.479 1.00 0.00 O ATOM 1822 CB THR B 25 -4.561 0.187 15.455 1.00 0.00 C ATOM 1823 OG1 THR B 25 -5.103 -0.286 16.692 1.00 0.00 O ATOM 1824 CG2 THR B 25 -5.695 0.739 14.603 1.00 0.00 C ATOM 0 H THR B 25 -2.796 -1.147 16.575 1.00 0.00 H new ATOM 0 HA THR B 25 -4.545 -1.737 14.451 1.00 0.00 H new ATOM 0 HB THR B 25 -3.840 0.986 15.626 1.00 0.00 H new ATOM 0 HG1 THR B 25 -5.569 0.447 17.146 1.00 0.00 H new ATOM 0 HG21 THR B 25 -6.187 1.553 15.135 1.00 0.00 H new ATOM 0 HG22 THR B 25 -5.294 1.112 13.661 1.00 0.00 H new ATOM 0 HG23 THR B 25 -6.417 -0.052 14.402 1.00 0.00 H new ATOM 1832 N ALA B 26 -1.823 -0.349 13.484 1.00 0.00 N ATOM 1833 CA ALA B 26 -1.093 0.084 12.294 1.00 0.00 C ATOM 1834 C ALA B 26 -1.284 -0.898 11.139 1.00 0.00 C ATOM 1835 O ALA B 26 -1.165 -0.532 9.969 1.00 0.00 O ATOM 1836 CB ALA B 26 0.376 0.258 12.609 1.00 0.00 C ATOM 0 H ALA B 26 -1.237 -0.552 14.293 1.00 0.00 H new ATOM 0 HA ALA B 26 -1.498 1.047 11.983 1.00 0.00 H new ATOM 0 HB1 ALA B 26 0.905 0.581 11.712 1.00 0.00 H new ATOM 0 HB2 ALA B 26 0.494 1.009 13.390 1.00 0.00 H new ATOM 0 HB3 ALA B 26 0.789 -0.690 12.952 1.00 0.00 H new ATOM 1842 N ALA B 27 -1.592 -2.145 11.476 1.00 0.00 N ATOM 1843 CA ALA B 27 -1.910 -3.152 10.474 1.00 0.00 C ATOM 1844 C ALA B 27 -3.257 -2.826 9.838 1.00 0.00 C ATOM 1845 O ALA B 27 -3.519 -3.148 8.677 1.00 0.00 O ATOM 1846 CB ALA B 27 -1.931 -4.542 11.103 1.00 0.00 C ATOM 0 H ALA B 27 -1.628 -2.482 12.438 1.00 0.00 H new ATOM 0 HA ALA B 27 -1.142 -3.146 9.701 1.00 0.00 H new ATOM 0 HB1 ALA B 27 -2.170 -5.283 10.340 1.00 0.00 H new ATOM 0 HB2 ALA B 27 -0.953 -4.763 11.529 1.00 0.00 H new ATOM 0 HB3 ALA B 27 -2.685 -4.574 11.889 1.00 0.00 H new ATOM 1852 N GLU B 28 -4.100 -2.162 10.610 1.00 0.00 N ATOM 1853 CA GLU B 28 -5.428 -1.795 10.164 1.00 0.00 C ATOM 1854 C GLU B 28 -5.363 -0.578 9.243 1.00 0.00 C ATOM 1855 O GLU B 28 -6.165 -0.455 8.315 1.00 0.00 O ATOM 1856 CB GLU B 28 -6.321 -1.556 11.381 1.00 0.00 C ATOM 1857 CG GLU B 28 -6.444 -2.794 12.250 1.00 0.00 C ATOM 1858 CD GLU B 28 -7.552 -2.693 13.274 1.00 0.00 C ATOM 1859 OE1 GLU B 28 -8.729 -2.837 12.885 1.00 0.00 O ATOM 1860 OE2 GLU B 28 -7.242 -2.517 14.471 1.00 0.00 O ATOM 0 H GLU B 28 -3.882 -1.864 11.561 1.00 0.00 H new ATOM 0 HA GLU B 28 -5.864 -2.607 9.582 1.00 0.00 H new ATOM 0 HB2 GLU B 28 -5.914 -0.737 11.973 1.00 0.00 H new ATOM 0 HB3 GLU B 28 -7.312 -1.247 11.048 1.00 0.00 H new ATOM 0 HG2 GLU B 28 -6.623 -3.661 11.614 1.00 0.00 H new ATOM 0 HG3 GLU B 28 -5.498 -2.966 12.763 1.00 0.00 H new ATOM 1867 N ASP B 29 -4.385 0.295 9.489 1.00 0.00 N ATOM 1868 CA ASP B 29 -4.081 1.398 8.572 1.00 0.00 C ATOM 1869 C ASP B 29 -3.790 0.853 7.183 1.00 0.00 C ATOM 1870 O ASP B 29 -4.397 1.267 6.193 1.00 0.00 O ATOM 1871 CB ASP B 29 -2.846 2.182 9.042 1.00 0.00 C ATOM 1872 CG ASP B 29 -3.098 3.046 10.257 1.00 0.00 C ATOM 1873 OD1 ASP B 29 -3.247 2.497 11.366 1.00 0.00 O ATOM 1874 OD2 ASP B 29 -3.133 4.285 10.109 1.00 0.00 O ATOM 0 H ASP B 29 -3.789 0.261 10.316 1.00 0.00 H new ATOM 0 HA ASP B 29 -4.948 2.059 8.553 1.00 0.00 H new ATOM 0 HB2 ASP B 29 -2.045 1.478 9.268 1.00 0.00 H new ATOM 0 HB3 ASP B 29 -2.495 2.813 8.225 1.00 0.00 H new ATOM 1879 N VAL B 30 -2.864 -0.100 7.132 1.00 0.00 N ATOM 1880 CA VAL B 30 -2.418 -0.685 5.877 1.00 0.00 C ATOM 1881 C VAL B 30 -3.542 -1.446 5.176 1.00 0.00 C ATOM 1882 O VAL B 30 -3.746 -1.282 3.975 1.00 0.00 O ATOM 1883 CB VAL B 30 -1.215 -1.630 6.091 1.00 0.00 C ATOM 1884 CG1 VAL B 30 -0.716 -2.180 4.762 1.00 0.00 C ATOM 1885 CG2 VAL B 30 -0.095 -0.910 6.825 1.00 0.00 C ATOM 0 H VAL B 30 -2.405 -0.485 7.957 1.00 0.00 H new ATOM 0 HA VAL B 30 -2.109 0.145 5.241 1.00 0.00 H new ATOM 0 HB VAL B 30 -1.546 -2.469 6.703 1.00 0.00 H new ATOM 0 HG11 VAL B 30 0.131 -2.843 4.938 1.00 0.00 H new ATOM 0 HG12 VAL B 30 -1.517 -2.736 4.275 1.00 0.00 H new ATOM 0 HG13 VAL B 30 -0.405 -1.355 4.121 1.00 0.00 H new ATOM 0 HG21 VAL B 30 0.744 -1.591 6.967 1.00 0.00 H new ATOM 0 HG22 VAL B 30 0.231 -0.051 6.239 1.00 0.00 H new ATOM 0 HG23 VAL B 30 -0.455 -0.571 7.796 1.00 0.00 H new ATOM 1895 N ARG B 31 -4.281 -2.265 5.921 1.00 0.00 N ATOM 1896 CA ARG B 31 -5.334 -3.080 5.318 1.00 0.00 C ATOM 1897 C ARG B 31 -6.468 -2.207 4.777 1.00 0.00 C ATOM 1898 O ARG B 31 -7.143 -2.583 3.818 1.00 0.00 O ATOM 1899 CB ARG B 31 -5.878 -4.140 6.289 1.00 0.00 C ATOM 1900 CG ARG B 31 -6.664 -3.600 7.474 1.00 0.00 C ATOM 1901 CD ARG B 31 -7.281 -4.743 8.266 1.00 0.00 C ATOM 1902 NE ARG B 31 -8.032 -4.292 9.441 1.00 0.00 N ATOM 1903 CZ ARG B 31 -8.998 -5.012 10.017 1.00 0.00 C ATOM 1904 NH1 ARG B 31 -9.380 -6.166 9.477 1.00 0.00 N ATOM 1905 NH2 ARG B 31 -9.581 -4.585 11.132 1.00 0.00 N ATOM 0 H ARG B 31 -4.173 -2.382 6.929 1.00 0.00 H new ATOM 0 HA ARG B 31 -4.880 -3.611 4.481 1.00 0.00 H new ATOM 0 HB2 ARG B 31 -6.518 -4.824 5.732 1.00 0.00 H new ATOM 0 HB3 ARG B 31 -5.040 -4.725 6.667 1.00 0.00 H new ATOM 0 HG2 ARG B 31 -6.007 -3.016 8.118 1.00 0.00 H new ATOM 0 HG3 ARG B 31 -7.447 -2.928 7.123 1.00 0.00 H new ATOM 0 HD2 ARG B 31 -7.945 -5.311 7.614 1.00 0.00 H new ATOM 0 HD3 ARG B 31 -6.491 -5.422 8.586 1.00 0.00 H new ATOM 0 HE ARG B 31 -7.805 -3.381 9.839 1.00 0.00 H new ATOM 0 HH11 ARG B 31 -8.935 -6.501 8.623 1.00 0.00 H new ATOM 0 HH12 ARG B 31 -10.118 -6.716 9.917 1.00 0.00 H new ATOM 0 HH21 ARG B 31 -9.291 -3.702 11.553 1.00 0.00 H new ATOM 0 HH22 ARG B 31 -10.318 -5.140 11.567 1.00 0.00 H new ATOM 1919 N LYS B 32 -6.675 -1.049 5.394 1.00 0.00 N ATOM 1920 CA LYS B 32 -7.669 -0.094 4.915 1.00 0.00 C ATOM 1921 C LYS B 32 -7.312 0.370 3.502 1.00 0.00 C ATOM 1922 O LYS B 32 -8.185 0.516 2.644 1.00 0.00 O ATOM 1923 CB LYS B 32 -7.764 1.095 5.887 1.00 0.00 C ATOM 1924 CG LYS B 32 -8.818 2.136 5.525 1.00 0.00 C ATOM 1925 CD LYS B 32 -8.269 3.205 4.591 1.00 0.00 C ATOM 1926 CE LYS B 32 -9.332 4.226 4.216 1.00 0.00 C ATOM 1927 NZ LYS B 32 -10.455 3.613 3.455 1.00 0.00 N ATOM 0 H LYS B 32 -6.168 -0.748 6.227 1.00 0.00 H new ATOM 0 HA LYS B 32 -8.645 -0.577 4.874 1.00 0.00 H new ATOM 0 HB2 LYS B 32 -7.979 0.714 6.885 1.00 0.00 H new ATOM 0 HB3 LYS B 32 -6.792 1.585 5.935 1.00 0.00 H new ATOM 0 HG2 LYS B 32 -9.667 1.643 5.052 1.00 0.00 H new ATOM 0 HG3 LYS B 32 -9.190 2.607 6.435 1.00 0.00 H new ATOM 0 HD2 LYS B 32 -7.431 3.712 5.070 1.00 0.00 H new ATOM 0 HD3 LYS B 32 -7.882 2.734 3.687 1.00 0.00 H new ATOM 0 HE2 LYS B 32 -9.721 4.693 5.121 1.00 0.00 H new ATOM 0 HE3 LYS B 32 -8.879 5.017 3.618 1.00 0.00 H new ATOM 0 HZ1 LYS B 32 -11.048 4.363 3.047 1.00 0.00 H new ATOM 0 HZ2 LYS B 32 -10.073 3.019 2.691 1.00 0.00 H new ATOM 0 HZ3 LYS B 32 -11.029 3.027 4.095 1.00 0.00 H new ATOM 1941 N ILE B 33 -6.024 0.591 3.266 1.00 0.00 N ATOM 1942 CA ILE B 33 -5.543 0.992 1.948 1.00 0.00 C ATOM 1943 C ILE B 33 -5.491 -0.216 1.014 1.00 0.00 C ATOM 1944 O ILE B 33 -5.877 -0.135 -0.151 1.00 0.00 O ATOM 1945 CB ILE B 33 -4.142 1.636 2.032 1.00 0.00 C ATOM 1946 CG1 ILE B 33 -4.135 2.748 3.084 1.00 0.00 C ATOM 1947 CG2 ILE B 33 -3.725 2.190 0.671 1.00 0.00 C ATOM 1948 CD1 ILE B 33 -2.766 3.346 3.327 1.00 0.00 C ATOM 0 H ILE B 33 -5.293 0.499 3.971 1.00 0.00 H new ATOM 0 HA ILE B 33 -6.240 1.731 1.553 1.00 0.00 H new ATOM 0 HB ILE B 33 -3.424 0.870 2.326 1.00 0.00 H new ATOM 0 HG12 ILE B 33 -4.816 3.538 2.769 1.00 0.00 H new ATOM 0 HG13 ILE B 33 -4.520 2.350 4.023 1.00 0.00 H new ATOM 0 HG21 ILE B 33 -2.735 2.640 0.749 1.00 0.00 H new ATOM 0 HG22 ILE B 33 -3.699 1.381 -0.059 1.00 0.00 H new ATOM 0 HG23 ILE B 33 -4.443 2.945 0.350 1.00 0.00 H new ATOM 0 HD11 ILE B 33 -2.839 4.127 4.084 1.00 0.00 H new ATOM 0 HD12 ILE B 33 -2.085 2.568 3.673 1.00 0.00 H new ATOM 0 HD13 ILE B 33 -2.386 3.774 2.399 1.00 0.00 H new ATOM 1960 N ALA B 34 -5.032 -1.341 1.555 1.00 0.00 N ATOM 1961 CA ALA B 34 -4.910 -2.591 0.804 1.00 0.00 C ATOM 1962 C ALA B 34 -6.248 -3.025 0.209 1.00 0.00 C ATOM 1963 O ALA B 34 -6.295 -3.657 -0.843 1.00 0.00 O ATOM 1964 CB ALA B 34 -4.349 -3.691 1.694 1.00 0.00 C ATOM 0 H ALA B 34 -4.733 -1.414 2.528 1.00 0.00 H new ATOM 0 HA ALA B 34 -4.221 -2.413 -0.022 1.00 0.00 H new ATOM 0 HB1 ALA B 34 -4.264 -4.615 1.121 1.00 0.00 H new ATOM 0 HB2 ALA B 34 -3.364 -3.398 2.058 1.00 0.00 H new ATOM 0 HB3 ALA B 34 -5.016 -3.849 2.541 1.00 0.00 H new ATOM 1970 N THR B 35 -7.333 -2.694 0.894 1.00 0.00 N ATOM 1971 CA THR B 35 -8.674 -3.019 0.425 1.00 0.00 C ATOM 1972 C THR B 35 -8.916 -2.487 -0.994 1.00 0.00 C ATOM 1973 O THR B 35 -9.658 -3.088 -1.775 1.00 0.00 O ATOM 1974 CB THR B 35 -9.734 -2.449 1.389 1.00 0.00 C ATOM 1975 OG1 THR B 35 -9.555 -3.025 2.691 1.00 0.00 O ATOM 1976 CG2 THR B 35 -11.147 -2.729 0.896 1.00 0.00 C ATOM 0 H THR B 35 -7.311 -2.196 1.784 1.00 0.00 H new ATOM 0 HA THR B 35 -8.761 -4.105 0.399 1.00 0.00 H new ATOM 0 HB THR B 35 -9.603 -1.368 1.436 1.00 0.00 H new ATOM 0 HG1 THR B 35 -8.661 -2.803 3.027 1.00 0.00 H new ATOM 0 HG21 THR B 35 -11.867 -2.313 1.600 1.00 0.00 H new ATOM 0 HG22 THR B 35 -11.289 -2.269 -0.082 1.00 0.00 H new ATOM 0 HG23 THR B 35 -11.298 -3.806 0.816 1.00 0.00 H new ATOM 1984 N ALA B 36 -8.267 -1.376 -1.332 1.00 0.00 N ATOM 1985 CA ALA B 36 -8.418 -0.772 -2.649 1.00 0.00 C ATOM 1986 C ALA B 36 -7.845 -1.671 -3.736 1.00 0.00 C ATOM 1987 O ALA B 36 -8.477 -1.889 -4.772 1.00 0.00 O ATOM 1988 CB ALA B 36 -7.748 0.590 -2.687 1.00 0.00 C ATOM 0 H ALA B 36 -7.631 -0.877 -0.710 1.00 0.00 H new ATOM 0 HA ALA B 36 -9.484 -0.647 -2.840 1.00 0.00 H new ATOM 0 HB1 ALA B 36 -7.870 1.028 -3.678 1.00 0.00 H new ATOM 0 HB2 ALA B 36 -8.206 1.242 -1.943 1.00 0.00 H new ATOM 0 HB3 ALA B 36 -6.686 0.479 -2.467 1.00 0.00 H new ATOM 1994 N LEU B 37 -6.653 -2.207 -3.491 1.00 0.00 N ATOM 1995 CA LEU B 37 -5.996 -3.057 -4.467 1.00 0.00 C ATOM 1996 C LEU B 37 -6.668 -4.427 -4.526 1.00 0.00 C ATOM 1997 O LEU B 37 -6.602 -5.117 -5.544 1.00 0.00 O ATOM 1998 CB LEU B 37 -4.490 -3.170 -4.163 1.00 0.00 C ATOM 1999 CG LEU B 37 -4.095 -3.754 -2.799 1.00 0.00 C ATOM 2000 CD1 LEU B 37 -4.031 -5.275 -2.842 1.00 0.00 C ATOM 2001 CD2 LEU B 37 -2.763 -3.183 -2.340 1.00 0.00 C ATOM 0 H LEU B 37 -6.128 -2.066 -2.628 1.00 0.00 H new ATOM 0 HA LEU B 37 -6.097 -2.601 -5.452 1.00 0.00 H new ATOM 0 HB2 LEU B 37 -4.033 -3.784 -4.939 1.00 0.00 H new ATOM 0 HB3 LEU B 37 -4.053 -2.175 -4.245 1.00 0.00 H new ATOM 0 HG LEU B 37 -4.866 -3.471 -2.082 1.00 0.00 H new ATOM 0 HD11 LEU B 37 -3.749 -5.655 -1.860 1.00 0.00 H new ATOM 0 HD12 LEU B 37 -5.008 -5.673 -3.118 1.00 0.00 H new ATOM 0 HD13 LEU B 37 -3.291 -5.587 -3.579 1.00 0.00 H new ATOM 0 HD21 LEU B 37 -2.499 -3.608 -1.372 1.00 0.00 H new ATOM 0 HD22 LEU B 37 -1.991 -3.431 -3.068 1.00 0.00 H new ATOM 0 HD23 LEU B 37 -2.843 -2.100 -2.251 1.00 0.00 H new ATOM 2013 N LEU B 38 -7.322 -4.802 -3.428 1.00 0.00 N ATOM 2014 CA LEU B 38 -8.099 -6.035 -3.380 1.00 0.00 C ATOM 2015 C LEU B 38 -9.352 -5.905 -4.236 1.00 0.00 C ATOM 2016 O LEU B 38 -9.843 -6.887 -4.792 1.00 0.00 O ATOM 2017 CB LEU B 38 -8.490 -6.371 -1.937 1.00 0.00 C ATOM 2018 CG LEU B 38 -7.324 -6.697 -1.002 1.00 0.00 C ATOM 2019 CD1 LEU B 38 -7.829 -6.937 0.409 1.00 0.00 C ATOM 2020 CD2 LEU B 38 -6.559 -7.913 -1.505 1.00 0.00 C ATOM 0 H LEU B 38 -7.328 -4.267 -2.559 1.00 0.00 H new ATOM 0 HA LEU B 38 -7.481 -6.842 -3.773 1.00 0.00 H new ATOM 0 HB2 LEU B 38 -9.042 -5.528 -1.522 1.00 0.00 H new ATOM 0 HB3 LEU B 38 -9.171 -7.222 -1.951 1.00 0.00 H new ATOM 0 HG LEU B 38 -6.645 -5.844 -0.988 1.00 0.00 H new ATOM 0 HD11 LEU B 38 -6.988 -7.168 1.062 1.00 0.00 H new ATOM 0 HD12 LEU B 38 -8.335 -6.042 0.771 1.00 0.00 H new ATOM 0 HD13 LEU B 38 -8.528 -7.774 0.408 1.00 0.00 H new ATOM 0 HD21 LEU B 38 -5.733 -8.129 -0.827 1.00 0.00 H new ATOM 0 HD22 LEU B 38 -7.229 -8.772 -1.547 1.00 0.00 H new ATOM 0 HD23 LEU B 38 -6.166 -7.709 -2.501 1.00 0.00 H new ATOM 2032 N LYS B 39 -9.875 -4.688 -4.331 1.00 0.00 N ATOM 2033 CA LYS B 39 -11.023 -4.424 -5.174 1.00 0.00 C ATOM 2034 C LYS B 39 -10.627 -4.426 -6.643 1.00 0.00 C ATOM 2035 O LYS B 39 -11.165 -5.199 -7.439 1.00 0.00 O ATOM 2036 CB LYS B 39 -11.670 -3.088 -4.812 1.00 0.00 C ATOM 2037 CG LYS B 39 -12.534 -3.134 -3.561 1.00 0.00 C ATOM 2038 CD LYS B 39 -13.396 -1.889 -3.447 1.00 0.00 C ATOM 2039 CE LYS B 39 -14.267 -1.715 -4.683 1.00 0.00 C ATOM 2040 NZ LYS B 39 -15.180 -0.551 -4.565 1.00 0.00 N ATOM 0 H LYS B 39 -9.519 -3.872 -3.833 1.00 0.00 H new ATOM 0 HA LYS B 39 -11.748 -5.220 -5.005 1.00 0.00 H new ATOM 0 HB2 LYS B 39 -10.886 -2.343 -4.672 1.00 0.00 H new ATOM 0 HB3 LYS B 39 -12.281 -2.754 -5.650 1.00 0.00 H new ATOM 0 HG2 LYS B 39 -13.169 -4.019 -3.586 1.00 0.00 H new ATOM 0 HG3 LYS B 39 -11.899 -3.223 -2.680 1.00 0.00 H new ATOM 0 HD2 LYS B 39 -14.026 -1.958 -2.560 1.00 0.00 H new ATOM 0 HD3 LYS B 39 -12.761 -1.013 -3.319 1.00 0.00 H new ATOM 0 HE2 LYS B 39 -13.631 -1.588 -5.559 1.00 0.00 H new ATOM 0 HE3 LYS B 39 -14.853 -2.620 -4.843 1.00 0.00 H new ATOM 0 HZ1 LYS B 39 -15.754 -0.471 -5.429 1.00 0.00 H new ATOM 0 HZ2 LYS B 39 -15.806 -0.682 -3.745 1.00 0.00 H new ATOM 0 HZ3 LYS B 39 -14.621 0.317 -4.439 1.00 0.00 H new ATOM 2054 N THR B 40 -9.687 -3.566 -7.006 1.00 0.00 N ATOM 2055 CA THR B 40 -9.236 -3.499 -8.379 1.00 0.00 C ATOM 2056 C THR B 40 -7.934 -2.717 -8.519 1.00 0.00 C ATOM 2057 O THR B 40 -7.914 -1.495 -8.666 1.00 0.00 O ATOM 2058 CB THR B 40 -10.330 -2.931 -9.312 1.00 0.00 C ATOM 2059 OG1 THR B 40 -9.844 -2.832 -10.656 1.00 0.00 O ATOM 2060 CG2 THR B 40 -10.838 -1.573 -8.838 1.00 0.00 C ATOM 0 H THR B 40 -9.228 -2.912 -6.372 1.00 0.00 H new ATOM 0 HA THR B 40 -9.032 -4.523 -8.691 1.00 0.00 H new ATOM 0 HB THR B 40 -11.169 -3.627 -9.284 1.00 0.00 H new ATOM 0 HG1 THR B 40 -10.549 -2.472 -11.233 1.00 0.00 H new ATOM 0 HG21 THR B 40 -11.605 -1.212 -9.523 1.00 0.00 H new ATOM 0 HG22 THR B 40 -11.262 -1.672 -7.839 1.00 0.00 H new ATOM 0 HG23 THR B 40 -10.011 -0.864 -8.813 1.00 0.00 H new ATOM 2068 N ALA B 41 -6.843 -3.445 -8.412 1.00 0.00 N ATOM 2069 CA ALA B 41 -5.534 -2.936 -8.790 1.00 0.00 C ATOM 2070 C ALA B 41 -5.027 -3.736 -9.974 1.00 0.00 C ATOM 2071 O ALA B 41 -3.975 -3.450 -10.550 1.00 0.00 O ATOM 2072 CB ALA B 41 -4.559 -3.023 -7.630 1.00 0.00 C ATOM 0 H ALA B 41 -6.834 -4.403 -8.062 1.00 0.00 H new ATOM 0 HA ALA B 41 -5.620 -1.884 -9.064 1.00 0.00 H new ATOM 0 HB1 ALA B 41 -3.589 -2.636 -7.941 1.00 0.00 H new ATOM 0 HB2 ALA B 41 -4.934 -2.433 -6.794 1.00 0.00 H new ATOM 0 HB3 ALA B 41 -4.453 -4.063 -7.321 1.00 0.00 H new ATOM 2078 N ILE B 42 -5.807 -4.744 -10.325 1.00 0.00 N ATOM 2079 CA ILE B 42 -5.487 -5.640 -11.415 1.00 0.00 C ATOM 2080 C ILE B 42 -5.634 -4.937 -12.758 1.00 0.00 C ATOM 2081 O ILE B 42 -6.560 -4.151 -12.962 1.00 0.00 O ATOM 2082 CB ILE B 42 -6.405 -6.882 -11.372 1.00 0.00 C ATOM 2083 CG1 ILE B 42 -6.142 -7.699 -10.104 1.00 0.00 C ATOM 2084 CG2 ILE B 42 -6.227 -7.745 -12.609 1.00 0.00 C ATOM 2085 CD1 ILE B 42 -4.717 -8.203 -9.981 1.00 0.00 C ATOM 0 H ILE B 42 -6.686 -4.962 -9.856 1.00 0.00 H new ATOM 0 HA ILE B 42 -4.450 -5.955 -11.301 1.00 0.00 H new ATOM 0 HB ILE B 42 -7.438 -6.534 -11.355 1.00 0.00 H new ATOM 0 HG12 ILE B 42 -6.376 -7.086 -9.234 1.00 0.00 H new ATOM 0 HG13 ILE B 42 -6.821 -8.551 -10.086 1.00 0.00 H new ATOM 0 HG21 ILE B 42 -6.887 -8.610 -12.547 1.00 0.00 H new ATOM 0 HG22 ILE B 42 -6.474 -7.163 -13.497 1.00 0.00 H new ATOM 0 HG23 ILE B 42 -5.192 -8.082 -12.672 1.00 0.00 H new ATOM 0 HD11 ILE B 42 -4.611 -8.772 -9.057 1.00 0.00 H new ATOM 0 HD12 ILE B 42 -4.483 -8.844 -10.831 1.00 0.00 H new ATOM 0 HD13 ILE B 42 -4.031 -7.356 -9.966 1.00 0.00 H new ATOM 2097 N GLU B 43 -4.720 -5.238 -13.659 1.00 0.00 N ATOM 2098 CA GLU B 43 -4.724 -4.673 -14.988 1.00 0.00 C ATOM 2099 C GLU B 43 -5.261 -5.694 -15.968 1.00 0.00 C ATOM 2100 O GLU B 43 -4.934 -6.881 -15.883 1.00 0.00 O ATOM 2101 CB GLU B 43 -3.302 -4.282 -15.388 1.00 0.00 C ATOM 2102 CG GLU B 43 -3.175 -3.766 -16.808 1.00 0.00 C ATOM 2103 CD GLU B 43 -1.746 -3.807 -17.308 1.00 0.00 C ATOM 2104 OE1 GLU B 43 -0.937 -2.954 -16.886 1.00 0.00 O ATOM 2105 OE2 GLU B 43 -1.423 -4.712 -18.111 1.00 0.00 O ATOM 0 H GLU B 43 -3.951 -5.885 -13.486 1.00 0.00 H new ATOM 0 HA GLU B 43 -5.358 -3.786 -15.000 1.00 0.00 H new ATOM 0 HB2 GLU B 43 -2.941 -3.516 -14.702 1.00 0.00 H new ATOM 0 HB3 GLU B 43 -2.652 -5.149 -15.269 1.00 0.00 H new ATOM 0 HG2 GLU B 43 -3.806 -4.363 -17.467 1.00 0.00 H new ATOM 0 HG3 GLU B 43 -3.545 -2.742 -16.855 1.00 0.00 H new ATOM 2112 N ILE B 44 -6.098 -5.243 -16.873 1.00 0.00 N ATOM 2113 CA ILE B 44 -6.644 -6.115 -17.892 1.00 0.00 C ATOM 2114 C ILE B 44 -6.361 -5.556 -19.266 1.00 0.00 C ATOM 2115 O ILE B 44 -6.820 -4.465 -19.615 1.00 0.00 O ATOM 2116 CB ILE B 44 -8.166 -6.331 -17.742 1.00 0.00 C ATOM 2117 CG1 ILE B 44 -8.482 -7.111 -16.467 1.00 0.00 C ATOM 2118 CG2 ILE B 44 -8.732 -7.059 -18.955 1.00 0.00 C ATOM 2119 CD1 ILE B 44 -8.022 -8.550 -16.516 1.00 0.00 C ATOM 0 H ILE B 44 -6.417 -4.276 -16.926 1.00 0.00 H new ATOM 0 HA ILE B 44 -6.155 -7.081 -17.765 1.00 0.00 H new ATOM 0 HB ILE B 44 -8.637 -5.350 -17.674 1.00 0.00 H new ATOM 0 HG12 ILE B 44 -8.010 -6.615 -15.619 1.00 0.00 H new ATOM 0 HG13 ILE B 44 -9.558 -7.087 -16.292 1.00 0.00 H new ATOM 0 HG21 ILE B 44 -9.805 -7.200 -18.827 1.00 0.00 H new ATOM 0 HG22 ILE B 44 -8.548 -6.468 -19.852 1.00 0.00 H new ATOM 0 HG23 ILE B 44 -8.248 -8.031 -19.055 1.00 0.00 H new ATOM 0 HD11 ILE B 44 -8.278 -9.046 -15.580 1.00 0.00 H new ATOM 0 HD12 ILE B 44 -8.514 -9.061 -17.343 1.00 0.00 H new ATOM 0 HD13 ILE B 44 -6.942 -8.582 -16.661 1.00 0.00 H new ATOM 2131 N VAL B 45 -5.582 -6.293 -20.024 1.00 0.00 N ATOM 2132 CA VAL B 45 -5.411 -6.009 -21.431 1.00 0.00 C ATOM 2133 C VAL B 45 -6.185 -7.042 -22.237 1.00 0.00 C ATOM 2134 O VAL B 45 -5.801 -8.212 -22.319 1.00 0.00 O ATOM 2135 CB VAL B 45 -3.921 -5.977 -21.851 1.00 0.00 C ATOM 2136 CG1 VAL B 45 -3.254 -4.711 -21.337 1.00 0.00 C ATOM 2137 CG2 VAL B 45 -3.174 -7.206 -21.347 1.00 0.00 C ATOM 0 H VAL B 45 -5.054 -7.098 -19.688 1.00 0.00 H new ATOM 0 HA VAL B 45 -5.802 -5.012 -21.632 1.00 0.00 H new ATOM 0 HB VAL B 45 -3.882 -5.983 -22.940 1.00 0.00 H new ATOM 0 HG11 VAL B 45 -2.207 -4.703 -21.640 1.00 0.00 H new ATOM 0 HG12 VAL B 45 -3.759 -3.839 -21.753 1.00 0.00 H new ATOM 0 HG13 VAL B 45 -3.317 -4.682 -20.249 1.00 0.00 H new ATOM 0 HG21 VAL B 45 -2.131 -7.151 -21.659 1.00 0.00 H new ATOM 0 HG22 VAL B 45 -3.225 -7.242 -20.259 1.00 0.00 H new ATOM 0 HG23 VAL B 45 -3.630 -8.105 -21.762 1.00 0.00 H new ATOM 2147 N SER B 46 -7.306 -6.616 -22.787 1.00 0.00 N ATOM 2148 CA SER B 46 -8.197 -7.527 -23.473 1.00 0.00 C ATOM 2149 C SER B 46 -7.780 -7.712 -24.922 1.00 0.00 C ATOM 2150 O SER B 46 -7.629 -6.749 -25.674 1.00 0.00 O ATOM 2151 CB SER B 46 -9.633 -7.029 -23.389 1.00 0.00 C ATOM 2152 OG SER B 46 -9.991 -6.747 -22.046 1.00 0.00 O ATOM 0 H SER B 46 -7.620 -5.646 -22.771 1.00 0.00 H new ATOM 0 HA SER B 46 -8.135 -8.497 -22.980 1.00 0.00 H new ATOM 0 HB2 SER B 46 -9.747 -6.131 -23.997 1.00 0.00 H new ATOM 0 HB3 SER B 46 -10.308 -7.780 -23.800 1.00 0.00 H new ATOM 0 HG SER B 46 -10.917 -6.427 -22.015 1.00 0.00 H new ATOM 2158 N GLU B 47 -7.589 -8.963 -25.289 1.00 0.00 N ATOM 2159 CA GLU B 47 -7.205 -9.328 -26.636 1.00 0.00 C ATOM 2160 C GLU B 47 -8.306 -10.181 -27.243 1.00 0.00 C ATOM 2161 O GLU B 47 -9.032 -10.868 -26.520 1.00 0.00 O ATOM 2162 CB GLU B 47 -5.885 -10.102 -26.610 1.00 0.00 C ATOM 2163 CG GLU B 47 -4.938 -9.760 -27.744 1.00 0.00 C ATOM 2164 CD GLU B 47 -5.451 -10.235 -29.082 1.00 0.00 C ATOM 2165 OE1 GLU B 47 -5.274 -11.429 -29.391 1.00 0.00 O ATOM 2166 OE2 GLU B 47 -6.056 -9.428 -29.815 1.00 0.00 O ATOM 0 H GLU B 47 -7.696 -9.758 -24.658 1.00 0.00 H new ATOM 0 HA GLU B 47 -7.065 -8.431 -27.239 1.00 0.00 H new ATOM 0 HB2 GLU B 47 -5.383 -9.909 -25.662 1.00 0.00 H new ATOM 0 HB3 GLU B 47 -6.103 -11.170 -26.644 1.00 0.00 H new ATOM 0 HG2 GLU B 47 -4.789 -8.681 -27.777 1.00 0.00 H new ATOM 0 HG3 GLU B 47 -3.965 -10.210 -27.550 1.00 0.00 H new ATOM 2173 N GLU B 48 -8.429 -10.144 -28.554 1.00 0.00 N ATOM 2174 CA GLU B 48 -9.468 -10.889 -29.237 1.00 0.00 C ATOM 2175 C GLU B 48 -9.107 -12.365 -29.323 1.00 0.00 C ATOM 2176 O GLU B 48 -9.961 -13.239 -29.165 1.00 0.00 O ATOM 2177 CB GLU B 48 -9.679 -10.326 -30.637 1.00 0.00 C ATOM 2178 CG GLU B 48 -10.811 -10.999 -31.389 1.00 0.00 C ATOM 2179 CD GLU B 48 -11.024 -10.405 -32.759 1.00 0.00 C ATOM 2180 OE1 GLU B 48 -11.626 -9.316 -32.846 1.00 0.00 O ATOM 2181 OE2 GLU B 48 -10.609 -11.032 -33.754 1.00 0.00 O ATOM 0 H GLU B 48 -7.821 -9.604 -29.170 1.00 0.00 H new ATOM 0 HA GLU B 48 -10.391 -10.791 -28.666 1.00 0.00 H new ATOM 0 HB2 GLU B 48 -9.884 -9.258 -30.565 1.00 0.00 H new ATOM 0 HB3 GLU B 48 -8.757 -10.435 -31.208 1.00 0.00 H new ATOM 0 HG2 GLU B 48 -10.597 -12.063 -31.487 1.00 0.00 H new ATOM 0 HG3 GLU B 48 -11.731 -10.911 -30.811 1.00 0.00 H new ATOM 2188 N ASP B 49 -7.833 -12.634 -29.545 1.00 0.00 N ATOM 2189 CA ASP B 49 -7.375 -14.001 -29.760 1.00 0.00 C ATOM 2190 C ASP B 49 -6.666 -14.521 -28.525 1.00 0.00 C ATOM 2191 O ASP B 49 -6.907 -15.647 -28.078 1.00 0.00 O ATOM 2192 CB ASP B 49 -6.442 -14.073 -30.971 1.00 0.00 C ATOM 2193 CG ASP B 49 -5.956 -15.483 -31.240 1.00 0.00 C ATOM 2194 OD1 ASP B 49 -6.689 -16.252 -31.894 1.00 0.00 O ATOM 2195 OD2 ASP B 49 -4.834 -15.826 -30.807 1.00 0.00 O ATOM 0 H ASP B 49 -7.097 -11.929 -29.582 1.00 0.00 H new ATOM 0 HA ASP B 49 -8.246 -14.626 -29.955 1.00 0.00 H new ATOM 0 HB2 ASP B 49 -6.963 -13.697 -31.851 1.00 0.00 H new ATOM 0 HB3 ASP B 49 -5.584 -13.421 -30.805 1.00 0.00 H new ATOM 2200 N GLY B 50 -5.802 -13.686 -27.968 1.00 0.00 N ATOM 2201 CA GLY B 50 -5.070 -14.055 -26.775 1.00 0.00 C ATOM 2202 C GLY B 50 -5.925 -13.982 -25.523 1.00 0.00 C ATOM 2203 O GLY B 50 -5.498 -14.414 -24.450 1.00 0.00 O ATOM 0 H GLY B 50 -5.594 -12.753 -28.324 1.00 0.00 H new ATOM 0 HA2 GLY B 50 -4.683 -15.068 -26.889 1.00 0.00 H new ATOM 0 HA3 GLY B 50 -4.209 -13.396 -26.662 1.00 0.00 H new ATOM 2207 N GLY B 51 -7.124 -13.422 -25.654 1.00 0.00 N ATOM 2208 CA GLY B 51 -8.026 -13.326 -24.535 1.00 0.00 C ATOM 2209 C GLY B 51 -7.707 -12.148 -23.650 1.00 0.00 C ATOM 2210 O GLY B 51 -6.690 -11.478 -23.831 1.00 0.00 O ATOM 0 H GLY B 51 -7.483 -13.032 -26.525 1.00 0.00 H new ATOM 0 HA2 GLY B 51 -9.049 -13.238 -24.901 1.00 0.00 H new ATOM 0 HA3 GLY B 51 -7.975 -14.244 -23.949 1.00 0.00 H new ATOM 2214 N ALA B 52 -8.594 -11.872 -22.721 1.00 0.00 N ATOM 2215 CA ALA B 52 -8.334 -10.877 -21.694 1.00 0.00 C ATOM 2216 C ALA B 52 -7.210 -11.360 -20.792 1.00 0.00 C ATOM 2217 O ALA B 52 -7.177 -12.525 -20.412 1.00 0.00 O ATOM 2218 CB ALA B 52 -9.591 -10.601 -20.886 1.00 0.00 C ATOM 0 H ALA B 52 -9.507 -12.322 -22.652 1.00 0.00 H new ATOM 0 HA ALA B 52 -8.031 -9.944 -22.170 1.00 0.00 H new ATOM 0 HB1 ALA B 52 -9.376 -9.854 -20.122 1.00 0.00 H new ATOM 0 HB2 ALA B 52 -10.374 -10.229 -21.547 1.00 0.00 H new ATOM 0 HB3 ALA B 52 -9.926 -11.522 -20.408 1.00 0.00 H new ATOM 2224 N HIS B 53 -6.276 -10.483 -20.465 1.00 0.00 N ATOM 2225 CA HIS B 53 -5.133 -10.887 -19.655 1.00 0.00 C ATOM 2226 C HIS B 53 -5.143 -10.201 -18.306 1.00 0.00 C ATOM 2227 O HIS B 53 -5.201 -8.975 -18.223 1.00 0.00 O ATOM 2228 CB HIS B 53 -3.817 -10.615 -20.376 1.00 0.00 C ATOM 2229 CG HIS B 53 -3.473 -11.693 -21.346 1.00 0.00 C ATOM 2230 ND1 HIS B 53 -2.426 -12.557 -21.157 1.00 0.00 N ATOM 2231 CD2 HIS B 53 -4.080 -12.082 -22.488 1.00 0.00 C ATOM 2232 CE1 HIS B 53 -2.408 -13.439 -22.133 1.00 0.00 C ATOM 2233 NE2 HIS B 53 -3.404 -13.175 -22.961 1.00 0.00 N ATOM 0 H HIS B 53 -6.282 -9.501 -20.741 1.00 0.00 H new ATOM 0 HA HIS B 53 -5.219 -11.961 -19.493 1.00 0.00 H new ATOM 0 HB2 HIS B 53 -3.883 -9.663 -20.902 1.00 0.00 H new ATOM 0 HB3 HIS B 53 -3.016 -10.519 -19.643 1.00 0.00 H new ATOM 0 HD2 HIS B 53 -4.941 -11.616 -22.945 1.00 0.00 H new ATOM 0 HE1 HIS B 53 -1.697 -14.245 -22.240 1.00 0.00 H new ATOM 0 HE2 HIS B 53 -3.630 -13.696 -23.808 1.00 0.00 H new ATOM 2242 N ASN B 54 -5.095 -11.008 -17.259 1.00 0.00 N ATOM 2243 CA ASN B 54 -5.049 -10.514 -15.894 1.00 0.00 C ATOM 2244 C ASN B 54 -3.598 -10.262 -15.520 1.00 0.00 C ATOM 2245 O ASN B 54 -2.815 -11.205 -15.424 1.00 0.00 O ATOM 2246 CB ASN B 54 -5.689 -11.558 -14.958 1.00 0.00 C ATOM 2247 CG ASN B 54 -5.726 -11.162 -13.487 1.00 0.00 C ATOM 2248 OD1 ASN B 54 -4.847 -10.469 -12.979 1.00 0.00 O ATOM 2249 ND2 ASN B 54 -6.760 -11.614 -12.790 1.00 0.00 N ATOM 0 H ASN B 54 -5.087 -12.025 -17.332 1.00 0.00 H new ATOM 0 HA ASN B 54 -5.605 -9.581 -15.799 1.00 0.00 H new ATOM 0 HB2 ASN B 54 -6.708 -11.749 -15.294 1.00 0.00 H new ATOM 0 HB3 ASN B 54 -5.141 -12.495 -15.054 1.00 0.00 H new ATOM 0 HD21 ASN B 54 -6.844 -11.389 -11.799 1.00 0.00 H new ATOM 0 HD22 ASN B 54 -7.471 -12.187 -13.245 1.00 0.00 H new ATOM 2256 N GLN B 55 -3.228 -8.997 -15.357 1.00 0.00 N ATOM 2257 CA GLN B 55 -1.852 -8.656 -15.026 1.00 0.00 C ATOM 2258 C GLN B 55 -1.783 -7.756 -13.801 1.00 0.00 C ATOM 2259 O GLN B 55 -2.637 -6.896 -13.593 1.00 0.00 O ATOM 2260 CB GLN B 55 -1.154 -7.950 -16.191 1.00 0.00 C ATOM 2261 CG GLN B 55 -1.343 -8.625 -17.536 1.00 0.00 C ATOM 2262 CD GLN B 55 -0.281 -8.224 -18.540 1.00 0.00 C ATOM 2263 OE1 GLN B 55 0.726 -8.916 -18.704 1.00 0.00 O ATOM 2264 NE2 GLN B 55 -0.464 -7.081 -19.173 1.00 0.00 N ATOM 0 H GLN B 55 -3.856 -8.198 -15.448 1.00 0.00 H new ATOM 0 HA GLN B 55 -1.342 -9.596 -14.815 1.00 0.00 H new ATOM 0 HB2 GLN B 55 -1.526 -6.928 -16.256 1.00 0.00 H new ATOM 0 HB3 GLN B 55 -0.087 -7.888 -15.976 1.00 0.00 H new ATOM 0 HG2 GLN B 55 -1.322 -9.707 -17.402 1.00 0.00 H new ATOM 0 HG3 GLN B 55 -2.327 -8.371 -17.931 1.00 0.00 H new ATOM 0 HE21 GLN B 55 -1.312 -6.538 -19.010 1.00 0.00 H new ATOM 0 HE22 GLN B 55 0.242 -6.741 -19.826 1.00 0.00 H new ATOM 2273 N CYS B 56 -0.776 -7.979 -12.982 1.00 0.00 N ATOM 2274 CA CYS B 56 -0.458 -7.076 -11.898 1.00 0.00 C ATOM 2275 C CYS B 56 0.744 -6.234 -12.300 1.00 0.00 C ATOM 2276 O CYS B 56 1.836 -6.766 -12.509 1.00 0.00 O ATOM 2277 CB CYS B 56 -0.149 -7.860 -10.624 1.00 0.00 C ATOM 2278 SG CYS B 56 0.039 -6.832 -9.149 1.00 0.00 S ATOM 0 H CYS B 56 -0.158 -8.788 -13.049 1.00 0.00 H new ATOM 0 HA CYS B 56 -1.313 -6.429 -11.699 1.00 0.00 H new ATOM 0 HB2 CYS B 56 -0.948 -8.581 -10.451 1.00 0.00 H new ATOM 0 HB3 CYS B 56 0.768 -8.430 -10.775 1.00 0.00 H new ATOM 0 HG CYS B 56 0.296 -7.588 -8.123 1.00 0.00 H new ATOM 2284 N LYS B 57 0.553 -4.922 -12.404 1.00 0.00 N ATOM 2285 CA LYS B 57 1.613 -4.040 -12.881 1.00 0.00 C ATOM 2286 C LYS B 57 2.648 -3.811 -11.784 1.00 0.00 C ATOM 2287 O LYS B 57 3.643 -3.116 -11.984 1.00 0.00 O ATOM 2288 CB LYS B 57 1.047 -2.696 -13.374 1.00 0.00 C ATOM 2289 CG LYS B 57 0.455 -1.811 -12.282 1.00 0.00 C ATOM 2290 CD LYS B 57 -0.992 -2.161 -11.957 1.00 0.00 C ATOM 2291 CE LYS B 57 -1.921 -1.880 -13.131 1.00 0.00 C ATOM 2292 NZ LYS B 57 -3.345 -1.811 -12.703 1.00 0.00 N ATOM 0 H LYS B 57 -0.319 -4.449 -12.166 1.00 0.00 H new ATOM 0 HA LYS B 57 2.097 -4.528 -13.727 1.00 0.00 H new ATOM 0 HB2 LYS B 57 1.842 -2.146 -13.877 1.00 0.00 H new ATOM 0 HB3 LYS B 57 0.276 -2.894 -14.119 1.00 0.00 H new ATOM 0 HG2 LYS B 57 1.058 -1.904 -11.379 1.00 0.00 H new ATOM 0 HG3 LYS B 57 0.510 -0.769 -12.596 1.00 0.00 H new ATOM 0 HD2 LYS B 57 -1.059 -3.214 -11.685 1.00 0.00 H new ATOM 0 HD3 LYS B 57 -1.319 -1.587 -11.090 1.00 0.00 H new ATOM 0 HE2 LYS B 57 -1.637 -0.939 -13.603 1.00 0.00 H new ATOM 0 HE3 LYS B 57 -1.804 -2.661 -13.882 1.00 0.00 H new ATOM 0 HZ1 LYS B 57 -3.960 -1.823 -13.541 1.00 0.00 H new ATOM 0 HZ2 LYS B 57 -3.566 -2.629 -12.100 1.00 0.00 H new ATOM 0 HZ3 LYS B 57 -3.505 -0.933 -12.168 1.00 0.00 H new ATOM 2306 N LEU B 58 2.406 -4.408 -10.627 1.00 0.00 N ATOM 2307 CA LEU B 58 3.310 -4.285 -9.502 1.00 0.00 C ATOM 2308 C LEU B 58 4.477 -5.253 -9.662 1.00 0.00 C ATOM 2309 O LEU B 58 5.622 -4.915 -9.366 1.00 0.00 O ATOM 2310 CB LEU B 58 2.562 -4.566 -8.197 1.00 0.00 C ATOM 2311 CG LEU B 58 3.158 -3.907 -6.958 1.00 0.00 C ATOM 2312 CD1 LEU B 58 3.137 -2.400 -7.121 1.00 0.00 C ATOM 2313 CD2 LEU B 58 2.393 -4.320 -5.709 1.00 0.00 C ATOM 0 H LEU B 58 1.585 -4.985 -10.446 1.00 0.00 H new ATOM 0 HA LEU B 58 3.701 -3.268 -9.470 1.00 0.00 H new ATOM 0 HB2 LEU B 58 1.531 -4.231 -8.308 1.00 0.00 H new ATOM 0 HB3 LEU B 58 2.532 -5.644 -8.038 1.00 0.00 H new ATOM 0 HG LEU B 58 4.191 -4.238 -6.845 1.00 0.00 H new ATOM 0 HD11 LEU B 58 3.564 -1.932 -6.234 1.00 0.00 H new ATOM 0 HD12 LEU B 58 3.723 -2.120 -7.996 1.00 0.00 H new ATOM 0 HD13 LEU B 58 2.109 -2.062 -7.250 1.00 0.00 H new ATOM 0 HD21 LEU B 58 2.834 -3.839 -4.836 1.00 0.00 H new ATOM 0 HD22 LEU B 58 1.351 -4.015 -5.803 1.00 0.00 H new ATOM 0 HD23 LEU B 58 2.445 -5.402 -5.592 1.00 0.00 H new ATOM 2325 N CYS B 59 4.177 -6.450 -10.145 1.00 0.00 N ATOM 2326 CA CYS B 59 5.197 -7.461 -10.370 1.00 0.00 C ATOM 2327 C CYS B 59 5.569 -7.537 -11.850 1.00 0.00 C ATOM 2328 O CYS B 59 6.742 -7.653 -12.200 1.00 0.00 O ATOM 2329 CB CYS B 59 4.704 -8.821 -9.875 1.00 0.00 C ATOM 2330 SG CYS B 59 3.057 -9.264 -10.474 1.00 0.00 S ATOM 0 H CYS B 59 3.231 -6.744 -10.389 1.00 0.00 H new ATOM 0 HA CYS B 59 6.089 -7.182 -9.810 1.00 0.00 H new ATOM 0 HB2 CYS B 59 5.412 -9.589 -10.187 1.00 0.00 H new ATOM 0 HB3 CYS B 59 4.695 -8.819 -8.785 1.00 0.00 H new ATOM 0 HG CYS B 59 3.146 -10.286 -11.273 1.00 0.00 H new ATOM 2336 N GLY B 60 4.561 -7.463 -12.717 1.00 0.00 N ATOM 2337 CA GLY B 60 4.805 -7.526 -14.145 1.00 0.00 C ATOM 2338 C GLY B 60 4.532 -8.902 -14.724 1.00 0.00 C ATOM 2339 O GLY B 60 4.708 -9.124 -15.922 1.00 0.00 O ATOM 0 H GLY B 60 3.581 -7.361 -12.454 1.00 0.00 H new ATOM 0 HA2 GLY B 60 4.177 -6.792 -14.650 1.00 0.00 H new ATOM 0 HA3 GLY B 60 5.840 -7.251 -14.345 1.00 0.00 H new ATOM 2343 N ALA B 61 4.088 -9.819 -13.876 1.00 0.00 N ATOM 2344 CA ALA B 61 3.820 -11.193 -14.292 1.00 0.00 C ATOM 2345 C ALA B 61 2.603 -11.715 -13.548 1.00 0.00 C ATOM 2346 O ALA B 61 2.486 -11.509 -12.338 1.00 0.00 O ATOM 2347 CB ALA B 61 5.030 -12.079 -14.034 1.00 0.00 C ATOM 0 H ALA B 61 3.904 -9.637 -12.889 1.00 0.00 H new ATOM 0 HA ALA B 61 3.619 -11.210 -15.363 1.00 0.00 H new ATOM 0 HB1 ALA B 61 4.809 -13.098 -14.351 1.00 0.00 H new ATOM 0 HB2 ALA B 61 5.884 -11.701 -14.596 1.00 0.00 H new ATOM 0 HB3 ALA B 61 5.265 -12.073 -12.970 1.00 0.00 H new ATOM 2353 N SER B 62 1.689 -12.363 -14.256 1.00 0.00 N ATOM 2354 CA SER B 62 0.408 -12.727 -13.669 1.00 0.00 C ATOM 2355 C SER B 62 -0.220 -13.955 -14.334 1.00 0.00 C ATOM 2356 O SER B 62 0.441 -14.674 -15.086 1.00 0.00 O ATOM 2357 CB SER B 62 -0.524 -11.530 -13.722 1.00 0.00 C ATOM 2358 OG SER B 62 0.016 -10.460 -12.972 1.00 0.00 O ATOM 0 H SER B 62 1.809 -12.645 -15.229 1.00 0.00 H new ATOM 0 HA SER B 62 0.579 -13.009 -12.630 1.00 0.00 H new ATOM 0 HB2 SER B 62 -0.673 -11.221 -14.757 1.00 0.00 H new ATOM 0 HB3 SER B 62 -1.503 -11.803 -13.327 1.00 0.00 H new ATOM 0 HG SER B 62 -0.418 -10.424 -12.094 1.00 0.00 H new ATOM 2364 N VAL B 63 -1.501 -14.186 -14.041 1.00 0.00 N ATOM 2365 CA VAL B 63 -2.155 -15.461 -14.312 1.00 0.00 C ATOM 2366 C VAL B 63 -3.194 -15.323 -15.435 1.00 0.00 C ATOM 2367 O VAL B 63 -3.818 -14.270 -15.578 1.00 0.00 O ATOM 2368 CB VAL B 63 -2.827 -15.979 -13.011 1.00 0.00 C ATOM 2369 CG1 VAL B 63 -3.929 -15.038 -12.549 1.00 0.00 C ATOM 2370 CG2 VAL B 63 -3.365 -17.392 -13.174 1.00 0.00 C ATOM 0 H VAL B 63 -2.112 -13.492 -13.609 1.00 0.00 H new ATOM 0 HA VAL B 63 -1.404 -16.178 -14.644 1.00 0.00 H new ATOM 0 HB VAL B 63 -2.054 -16.007 -12.243 1.00 0.00 H new ATOM 0 HG11 VAL B 63 -4.381 -15.427 -11.636 1.00 0.00 H new ATOM 0 HG12 VAL B 63 -3.507 -14.052 -12.353 1.00 0.00 H new ATOM 0 HG13 VAL B 63 -4.690 -14.960 -13.326 1.00 0.00 H new ATOM 0 HG21 VAL B 63 -3.827 -17.715 -12.241 1.00 0.00 H new ATOM 0 HG22 VAL B 63 -4.108 -17.409 -13.971 1.00 0.00 H new ATOM 0 HG23 VAL B 63 -2.547 -18.066 -13.427 1.00 0.00 H new ATOM 2380 N PRO B 64 -3.354 -16.369 -16.274 1.00 0.00 N ATOM 2381 CA PRO B 64 -4.370 -16.400 -17.336 1.00 0.00 C ATOM 2382 C PRO B 64 -5.792 -16.136 -16.829 1.00 0.00 C ATOM 2383 O PRO B 64 -6.131 -16.439 -15.680 1.00 0.00 O ATOM 2384 CB PRO B 64 -4.268 -17.825 -17.906 1.00 0.00 C ATOM 2385 CG PRO B 64 -3.446 -18.592 -16.922 1.00 0.00 C ATOM 2386 CD PRO B 64 -2.536 -17.590 -16.284 1.00 0.00 C ATOM 0 HA PRO B 64 -4.187 -15.614 -18.068 1.00 0.00 H new ATOM 0 HB2 PRO B 64 -5.255 -18.271 -18.025 1.00 0.00 H new ATOM 0 HB3 PRO B 64 -3.799 -17.821 -18.890 1.00 0.00 H new ATOM 0 HG2 PRO B 64 -4.078 -19.076 -16.178 1.00 0.00 H new ATOM 0 HG3 PRO B 64 -2.876 -19.379 -17.417 1.00 0.00 H new ATOM 0 HD2 PRO B 64 -2.245 -17.891 -15.277 1.00 0.00 H new ATOM 0 HD3 PRO B 64 -1.617 -17.457 -16.855 1.00 0.00 H new ATOM 2394 N TRP B 65 -6.612 -15.571 -17.708 1.00 0.00 N ATOM 2395 CA TRP B 65 -7.997 -15.224 -17.397 1.00 0.00 C ATOM 2396 C TRP B 65 -8.842 -16.478 -17.144 1.00 0.00 C ATOM 2397 O TRP B 65 -8.438 -17.593 -17.488 1.00 0.00 O ATOM 2398 CB TRP B 65 -8.578 -14.404 -18.559 1.00 0.00 C ATOM 2399 CG TRP B 65 -9.966 -13.873 -18.334 1.00 0.00 C ATOM 2400 CD1 TRP B 65 -11.049 -14.054 -19.145 1.00 0.00 C ATOM 2401 CD2 TRP B 65 -10.420 -13.078 -17.230 1.00 0.00 C ATOM 2402 NE1 TRP B 65 -12.147 -13.418 -18.619 1.00 0.00 N ATOM 2403 CE2 TRP B 65 -11.789 -12.813 -17.441 1.00 0.00 C ATOM 2404 CE3 TRP B 65 -9.804 -12.564 -16.084 1.00 0.00 C ATOM 2405 CZ2 TRP B 65 -12.548 -12.060 -16.549 1.00 0.00 C ATOM 2406 CZ3 TRP B 65 -10.559 -11.816 -15.199 1.00 0.00 C ATOM 2407 CH2 TRP B 65 -11.919 -11.571 -15.436 1.00 0.00 C ATOM 0 H TRP B 65 -6.335 -15.339 -18.662 1.00 0.00 H new ATOM 0 HA TRP B 65 -8.018 -14.631 -16.483 1.00 0.00 H new ATOM 0 HB2 TRP B 65 -7.913 -13.564 -18.759 1.00 0.00 H new ATOM 0 HB3 TRP B 65 -8.584 -15.026 -19.454 1.00 0.00 H new ATOM 0 HD1 TRP B 65 -11.043 -14.616 -20.067 1.00 0.00 H new ATOM 0 HE1 TRP B 65 -13.077 -13.399 -19.037 1.00 0.00 H new ATOM 0 HE3 TRP B 65 -8.757 -12.748 -15.894 1.00 0.00 H new ATOM 0 HZ2 TRP B 65 -13.596 -11.869 -16.729 1.00 0.00 H new ATOM 0 HZ3 TRP B 65 -10.094 -11.414 -14.311 1.00 0.00 H new ATOM 0 HH2 TRP B 65 -12.482 -10.984 -14.725 1.00 0.00 H new ATOM 2418 N LEU B 66 -10.007 -16.275 -16.517 1.00 0.00 N ATOM 2419 CA LEU B 66 -10.976 -17.337 -16.216 1.00 0.00 C ATOM 2420 C LEU B 66 -10.561 -18.158 -14.996 1.00 0.00 C ATOM 2421 O LEU B 66 -11.391 -18.832 -14.382 1.00 0.00 O ATOM 2422 CB LEU B 66 -11.219 -18.251 -17.425 1.00 0.00 C ATOM 2423 CG LEU B 66 -11.836 -17.568 -18.647 1.00 0.00 C ATOM 2424 CD1 LEU B 66 -12.010 -18.567 -19.778 1.00 0.00 C ATOM 2425 CD2 LEU B 66 -13.172 -16.933 -18.284 1.00 0.00 C ATOM 0 H LEU B 66 -10.308 -15.354 -16.199 1.00 0.00 H new ATOM 0 HA LEU B 66 -11.916 -16.839 -15.980 1.00 0.00 H new ATOM 0 HB2 LEU B 66 -10.269 -18.697 -17.719 1.00 0.00 H new ATOM 0 HB3 LEU B 66 -11.872 -19.067 -17.117 1.00 0.00 H new ATOM 0 HG LEU B 66 -11.161 -16.780 -18.982 1.00 0.00 H new ATOM 0 HD11 LEU B 66 -12.450 -18.067 -20.641 1.00 0.00 H new ATOM 0 HD12 LEU B 66 -11.039 -18.978 -20.053 1.00 0.00 H new ATOM 0 HD13 LEU B 66 -12.666 -19.374 -19.453 1.00 0.00 H new ATOM 0 HD21 LEU B 66 -13.597 -16.451 -19.165 1.00 0.00 H new ATOM 0 HD22 LEU B 66 -13.855 -17.703 -17.926 1.00 0.00 H new ATOM 0 HD23 LEU B 66 -13.021 -16.190 -17.501 1.00 0.00 H new ATOM 2437 N GLN B 67 -9.289 -18.097 -14.640 1.00 0.00 N ATOM 2438 CA GLN B 67 -8.810 -18.764 -13.444 1.00 0.00 C ATOM 2439 C GLN B 67 -8.827 -17.779 -12.282 1.00 0.00 C ATOM 2440 O GLN B 67 -8.966 -16.572 -12.491 1.00 0.00 O ATOM 2441 CB GLN B 67 -7.391 -19.308 -13.653 1.00 0.00 C ATOM 2442 CG GLN B 67 -6.991 -20.359 -12.625 1.00 0.00 C ATOM 2443 CD GLN B 67 -5.527 -20.742 -12.691 1.00 0.00 C ATOM 2444 OE1 GLN B 67 -5.137 -21.639 -13.440 1.00 0.00 O ATOM 2445 NE2 GLN B 67 -4.707 -20.082 -11.892 1.00 0.00 N ATOM 0 H GLN B 67 -8.572 -17.593 -15.162 1.00 0.00 H new ATOM 0 HA GLN B 67 -9.465 -19.607 -13.222 1.00 0.00 H new ATOM 0 HB2 GLN B 67 -7.318 -19.740 -14.651 1.00 0.00 H new ATOM 0 HB3 GLN B 67 -6.682 -18.481 -13.611 1.00 0.00 H new ATOM 0 HG2 GLN B 67 -7.215 -19.983 -11.627 1.00 0.00 H new ATOM 0 HG3 GLN B 67 -7.599 -21.251 -12.774 1.00 0.00 H new ATOM 0 HE21 GLN B 67 -5.068 -19.345 -11.286 1.00 0.00 H new ATOM 0 HE22 GLN B 67 -3.713 -20.309 -11.881 1.00 0.00 H new ATOM 2454 N THR B 68 -8.728 -18.295 -11.065 1.00 0.00 N ATOM 2455 CA THR B 68 -8.621 -17.455 -9.885 1.00 0.00 C ATOM 2456 C THR B 68 -7.426 -16.508 -10.008 1.00 0.00 C ATOM 2457 O THR B 68 -6.271 -16.943 -10.035 1.00 0.00 O ATOM 2458 CB THR B 68 -8.503 -18.309 -8.594 1.00 0.00 C ATOM 2459 OG1 THR B 68 -8.209 -17.476 -7.465 1.00 0.00 O ATOM 2460 CG2 THR B 68 -7.430 -19.386 -8.732 1.00 0.00 C ATOM 0 H THR B 68 -8.720 -19.296 -10.871 1.00 0.00 H new ATOM 0 HA THR B 68 -9.533 -16.862 -9.814 1.00 0.00 H new ATOM 0 HB THR B 68 -9.463 -18.800 -8.439 1.00 0.00 H new ATOM 0 HG1 THR B 68 -8.139 -18.030 -6.659 1.00 0.00 H new ATOM 0 HG21 THR B 68 -7.375 -19.965 -7.810 1.00 0.00 H new ATOM 0 HG22 THR B 68 -7.683 -20.047 -9.561 1.00 0.00 H new ATOM 0 HG23 THR B 68 -6.465 -18.916 -8.924 1.00 0.00 H new ATOM 2468 N GLY B 69 -7.712 -15.216 -10.109 1.00 0.00 N ATOM 2469 CA GLY B 69 -6.660 -14.229 -10.233 1.00 0.00 C ATOM 2470 C GLY B 69 -6.055 -13.888 -8.893 1.00 0.00 C ATOM 2471 O GLY B 69 -6.143 -12.751 -8.429 1.00 0.00 O ATOM 0 H GLY B 69 -8.658 -14.834 -10.107 1.00 0.00 H new ATOM 0 HA2 GLY B 69 -5.883 -14.607 -10.898 1.00 0.00 H new ATOM 0 HA3 GLY B 69 -7.061 -13.325 -10.692 1.00 0.00 H new ATOM 2543 N HIS B 74 5.786 -14.360 -7.667 1.00 0.00 N ATOM 2544 CA HIS B 74 6.875 -13.723 -8.393 1.00 0.00 C ATOM 2545 C HIS B 74 8.032 -13.512 -7.419 1.00 0.00 C ATOM 2546 O HIS B 74 8.625 -14.475 -6.938 1.00 0.00 O ATOM 2547 CB HIS B 74 6.420 -12.400 -9.042 1.00 0.00 C ATOM 2548 CG HIS B 74 7.373 -11.869 -10.081 1.00 0.00 C ATOM 2549 ND1 HIS B 74 7.975 -10.626 -10.005 1.00 0.00 N ATOM 2550 CD2 HIS B 74 7.807 -12.421 -11.241 1.00 0.00 C ATOM 2551 CE1 HIS B 74 8.733 -10.441 -11.073 1.00 0.00 C ATOM 2552 NE2 HIS B 74 8.647 -11.513 -11.834 1.00 0.00 N ATOM 0 HA HIS B 74 7.202 -14.363 -9.213 1.00 0.00 H new ATOM 0 HB2 HIS B 74 5.443 -12.550 -9.502 1.00 0.00 H new ATOM 0 HB3 HIS B 74 6.293 -11.649 -8.262 1.00 0.00 H new ATOM 0 HD2 HIS B 74 7.541 -13.394 -11.626 1.00 0.00 H new ATOM 0 HE1 HIS B 74 9.322 -9.561 -11.285 1.00 0.00 H new ATOM 0 HE2 HIS B 74 9.129 -11.647 -12.723 1.00 0.00 H new ATOM 2561 N ALA B 75 8.343 -12.270 -7.117 1.00 0.00 N ATOM 2562 CA ALA B 75 9.302 -11.966 -6.076 1.00 0.00 C ATOM 2563 C ALA B 75 8.566 -11.760 -4.760 1.00 0.00 C ATOM 2564 O ALA B 75 7.541 -11.082 -4.719 1.00 0.00 O ATOM 2565 CB ALA B 75 10.109 -10.727 -6.440 1.00 0.00 C ATOM 0 H ALA B 75 7.945 -11.452 -7.579 1.00 0.00 H new ATOM 0 HA ALA B 75 9.997 -12.799 -5.971 1.00 0.00 H new ATOM 0 HB1 ALA B 75 10.825 -10.513 -5.646 1.00 0.00 H new ATOM 0 HB2 ALA B 75 10.644 -10.902 -7.374 1.00 0.00 H new ATOM 0 HB3 ALA B 75 9.437 -9.878 -6.561 1.00 0.00 H new ATOM 2571 N ASP B 76 9.082 -12.341 -3.689 1.00 0.00 N ATOM 2572 CA ASP B 76 8.482 -12.186 -2.371 1.00 0.00 C ATOM 2573 C ASP B 76 8.818 -10.812 -1.812 1.00 0.00 C ATOM 2574 O ASP B 76 8.348 -10.421 -0.746 1.00 0.00 O ATOM 2575 CB ASP B 76 8.967 -13.285 -1.423 1.00 0.00 C ATOM 2576 CG ASP B 76 8.297 -14.622 -1.680 1.00 0.00 C ATOM 2577 OD1 ASP B 76 8.695 -15.321 -2.637 1.00 0.00 O ATOM 2578 OD2 ASP B 76 7.373 -14.990 -0.922 1.00 0.00 O ATOM 0 H ASP B 76 9.917 -12.926 -3.705 1.00 0.00 H new ATOM 0 HA ASP B 76 7.400 -12.276 -2.465 1.00 0.00 H new ATOM 0 HB2 ASP B 76 10.046 -13.399 -1.528 1.00 0.00 H new ATOM 0 HB3 ASP B 76 8.777 -12.981 -0.394 1.00 0.00 H new ATOM 2583 N ASP B 77 9.648 -10.090 -2.552 1.00 0.00 N ATOM 2584 CA ASP B 77 9.987 -8.710 -2.228 1.00 0.00 C ATOM 2585 C ASP B 77 8.846 -7.785 -2.641 1.00 0.00 C ATOM 2586 O ASP B 77 8.763 -6.639 -2.198 1.00 0.00 O ATOM 2587 CB ASP B 77 11.289 -8.316 -2.938 1.00 0.00 C ATOM 2588 CG ASP B 77 11.753 -6.903 -2.621 1.00 0.00 C ATOM 2589 OD1 ASP B 77 12.279 -6.679 -1.509 1.00 0.00 O ATOM 2590 OD2 ASP B 77 11.635 -6.018 -3.497 1.00 0.00 O ATOM 0 H ASP B 77 10.105 -10.443 -3.393 1.00 0.00 H new ATOM 0 HA ASP B 77 10.135 -8.616 -1.152 1.00 0.00 H new ATOM 0 HB2 ASP B 77 12.073 -9.019 -2.656 1.00 0.00 H new ATOM 0 HB3 ASP B 77 11.148 -8.410 -4.015 1.00 0.00 H new ATOM 2595 N CYS B 78 7.954 -8.301 -3.485 1.00 0.00 N ATOM 2596 CA CYS B 78 6.804 -7.540 -3.951 1.00 0.00 C ATOM 2597 C CYS B 78 5.837 -7.263 -2.802 1.00 0.00 C ATOM 2598 O CYS B 78 5.523 -8.158 -2.011 1.00 0.00 O ATOM 2599 CB CYS B 78 6.079 -8.292 -5.069 1.00 0.00 C ATOM 2600 SG CYS B 78 7.086 -8.596 -6.542 1.00 0.00 S ATOM 0 H CYS B 78 8.009 -9.248 -3.860 1.00 0.00 H new ATOM 0 HA CYS B 78 7.166 -6.589 -4.341 1.00 0.00 H new ATOM 0 HB2 CYS B 78 5.729 -9.248 -4.680 1.00 0.00 H new ATOM 0 HB3 CYS B 78 5.195 -7.723 -5.359 1.00 0.00 H new ATOM 0 HG CYS B 78 6.381 -9.239 -7.425 1.00 0.00 H new ATOM 2606 N PRO B 79 5.340 -6.018 -2.708 1.00 0.00 N ATOM 2607 CA PRO B 79 4.432 -5.589 -1.633 1.00 0.00 C ATOM 2608 C PRO B 79 3.161 -6.433 -1.537 1.00 0.00 C ATOM 2609 O PRO B 79 2.488 -6.425 -0.510 1.00 0.00 O ATOM 2610 CB PRO B 79 4.083 -4.150 -2.015 1.00 0.00 C ATOM 2611 CG PRO B 79 5.219 -3.701 -2.861 1.00 0.00 C ATOM 2612 CD PRO B 79 5.653 -4.912 -3.630 1.00 0.00 C ATOM 0 HA PRO B 79 4.903 -5.693 -0.656 1.00 0.00 H new ATOM 0 HB2 PRO B 79 3.140 -4.102 -2.560 1.00 0.00 H new ATOM 0 HB3 PRO B 79 3.973 -3.521 -1.132 1.00 0.00 H new ATOM 0 HG2 PRO B 79 4.914 -2.899 -3.533 1.00 0.00 H new ATOM 0 HG3 PRO B 79 6.033 -3.312 -2.250 1.00 0.00 H new ATOM 0 HD2 PRO B 79 5.113 -5.007 -4.572 1.00 0.00 H new ATOM 0 HD3 PRO B 79 6.715 -4.877 -3.873 1.00 0.00 H new ATOM 2620 N VAL B 80 2.844 -7.158 -2.605 1.00 0.00 N ATOM 2621 CA VAL B 80 1.676 -8.036 -2.628 1.00 0.00 C ATOM 2622 C VAL B 80 1.732 -9.043 -1.477 1.00 0.00 C ATOM 2623 O VAL B 80 0.737 -9.275 -0.787 1.00 0.00 O ATOM 2624 CB VAL B 80 1.580 -8.807 -3.964 1.00 0.00 C ATOM 2625 CG1 VAL B 80 0.328 -9.675 -4.008 1.00 0.00 C ATOM 2626 CG2 VAL B 80 1.604 -7.845 -5.146 1.00 0.00 C ATOM 0 H VAL B 80 3.382 -7.155 -3.471 1.00 0.00 H new ATOM 0 HA VAL B 80 0.795 -7.403 -2.518 1.00 0.00 H new ATOM 0 HB VAL B 80 2.449 -9.462 -4.034 1.00 0.00 H new ATOM 0 HG11 VAL B 80 0.286 -10.206 -4.959 1.00 0.00 H new ATOM 0 HG12 VAL B 80 0.356 -10.396 -3.191 1.00 0.00 H new ATOM 0 HG13 VAL B 80 -0.555 -9.045 -3.905 1.00 0.00 H new ATOM 0 HG21 VAL B 80 1.535 -8.409 -6.076 1.00 0.00 H new ATOM 0 HG22 VAL B 80 0.760 -7.159 -5.074 1.00 0.00 H new ATOM 0 HG23 VAL B 80 2.534 -7.277 -5.134 1.00 0.00 H new ATOM 2636 N VAL B 81 2.908 -9.617 -1.266 1.00 0.00 N ATOM 2637 CA VAL B 81 3.101 -10.613 -0.220 1.00 0.00 C ATOM 2638 C VAL B 81 3.009 -9.968 1.160 1.00 0.00 C ATOM 2639 O VAL B 81 2.377 -10.507 2.070 1.00 0.00 O ATOM 2640 CB VAL B 81 4.465 -11.321 -0.367 1.00 0.00 C ATOM 2641 CG1 VAL B 81 4.627 -12.407 0.685 1.00 0.00 C ATOM 2642 CG2 VAL B 81 4.622 -11.897 -1.768 1.00 0.00 C ATOM 0 H VAL B 81 3.747 -9.409 -1.808 1.00 0.00 H new ATOM 0 HA VAL B 81 2.309 -11.355 -0.325 1.00 0.00 H new ATOM 0 HB VAL B 81 5.251 -10.582 -0.212 1.00 0.00 H new ATOM 0 HG11 VAL B 81 5.595 -12.892 0.561 1.00 0.00 H new ATOM 0 HG12 VAL B 81 4.568 -11.963 1.679 1.00 0.00 H new ATOM 0 HG13 VAL B 81 3.834 -13.146 0.570 1.00 0.00 H new ATOM 0 HG21 VAL B 81 5.590 -12.392 -1.852 1.00 0.00 H new ATOM 0 HG22 VAL B 81 3.828 -12.619 -1.956 1.00 0.00 H new ATOM 0 HG23 VAL B 81 4.561 -11.093 -2.501 1.00 0.00 H new ATOM 2652 N ILE B 82 3.620 -8.800 1.295 1.00 0.00 N ATOM 2653 CA ILE B 82 3.648 -8.094 2.570 1.00 0.00 C ATOM 2654 C ILE B 82 2.252 -7.621 2.962 1.00 0.00 C ATOM 2655 O ILE B 82 1.820 -7.817 4.100 1.00 0.00 O ATOM 2656 CB ILE B 82 4.613 -6.889 2.527 1.00 0.00 C ATOM 2657 CG1 ILE B 82 6.005 -7.344 2.080 1.00 0.00 C ATOM 2658 CG2 ILE B 82 4.691 -6.214 3.889 1.00 0.00 C ATOM 2659 CD1 ILE B 82 6.610 -8.405 2.976 1.00 0.00 C ATOM 0 H ILE B 82 4.104 -8.320 0.537 1.00 0.00 H new ATOM 0 HA ILE B 82 4.008 -8.798 3.320 1.00 0.00 H new ATOM 0 HB ILE B 82 4.230 -6.166 1.807 1.00 0.00 H new ATOM 0 HG12 ILE B 82 5.943 -7.731 1.063 1.00 0.00 H new ATOM 0 HG13 ILE B 82 6.670 -6.480 2.053 1.00 0.00 H new ATOM 0 HG21 ILE B 82 5.376 -5.368 3.837 1.00 0.00 H new ATOM 0 HG22 ILE B 82 3.701 -5.862 4.178 1.00 0.00 H new ATOM 0 HG23 ILE B 82 5.052 -6.928 4.629 1.00 0.00 H new ATOM 0 HD11 ILE B 82 7.595 -8.680 2.600 1.00 0.00 H new ATOM 0 HD12 ILE B 82 6.704 -8.015 3.989 1.00 0.00 H new ATOM 0 HD13 ILE B 82 5.966 -9.285 2.984 1.00 0.00 H new ATOM 2671 N ALA B 83 1.545 -7.025 2.009 1.00 0.00 N ATOM 2672 CA ALA B 83 0.186 -6.551 2.246 1.00 0.00 C ATOM 2673 C ALA B 83 -0.714 -7.703 2.667 1.00 0.00 C ATOM 2674 O ALA B 83 -1.511 -7.573 3.597 1.00 0.00 O ATOM 2675 CB ALA B 83 -0.368 -5.872 1.002 1.00 0.00 C ATOM 0 H ALA B 83 1.890 -6.858 1.064 1.00 0.00 H new ATOM 0 HA ALA B 83 0.214 -5.820 3.054 1.00 0.00 H new ATOM 0 HB1 ALA B 83 -1.383 -5.525 1.198 1.00 0.00 H new ATOM 0 HB2 ALA B 83 0.262 -5.022 0.740 1.00 0.00 H new ATOM 0 HB3 ALA B 83 -0.381 -6.582 0.175 1.00 0.00 H new ATOM 2681 N LYS B 84 -0.565 -8.834 1.985 1.00 0.00 N ATOM 2682 CA LYS B 84 -1.327 -10.036 2.318 1.00 0.00 C ATOM 2683 C LYS B 84 -1.072 -10.479 3.752 1.00 0.00 C ATOM 2684 O LYS B 84 -2.016 -10.766 4.488 1.00 0.00 O ATOM 2685 CB LYS B 84 -1.010 -11.188 1.366 1.00 0.00 C ATOM 2686 CG LYS B 84 -1.953 -11.279 0.177 1.00 0.00 C ATOM 2687 CD LYS B 84 -1.899 -12.660 -0.452 1.00 0.00 C ATOM 2688 CE LYS B 84 -2.983 -12.845 -1.498 1.00 0.00 C ATOM 2689 NZ LYS B 84 -3.049 -14.254 -1.966 1.00 0.00 N ATOM 0 H LYS B 84 0.075 -8.945 1.199 1.00 0.00 H new ATOM 0 HA LYS B 84 -2.380 -9.774 2.211 1.00 0.00 H new ATOM 0 HB2 LYS B 84 0.011 -11.074 1.000 1.00 0.00 H new ATOM 0 HB3 LYS B 84 -1.048 -12.126 1.920 1.00 0.00 H new ATOM 0 HG2 LYS B 84 -2.972 -11.061 0.498 1.00 0.00 H new ATOM 0 HG3 LYS B 84 -1.684 -10.526 -0.564 1.00 0.00 H new ATOM 0 HD2 LYS B 84 -0.922 -12.813 -0.910 1.00 0.00 H new ATOM 0 HD3 LYS B 84 -2.009 -13.418 0.324 1.00 0.00 H new ATOM 0 HE2 LYS B 84 -3.947 -12.553 -1.081 1.00 0.00 H new ATOM 0 HE3 LYS B 84 -2.789 -12.187 -2.345 1.00 0.00 H new ATOM 0 HZ1 LYS B 84 -3.799 -14.348 -2.680 1.00 0.00 H new ATOM 0 HZ2 LYS B 84 -2.136 -14.524 -2.385 1.00 0.00 H new ATOM 0 HZ3 LYS B 84 -3.258 -14.878 -1.161 1.00 0.00 H new ATOM 2703 N GLN B 85 0.198 -10.534 4.151 1.00 0.00 N ATOM 2704 CA GLN B 85 0.560 -10.923 5.507 1.00 0.00 C ATOM 2705 C GLN B 85 -0.148 -10.039 6.525 1.00 0.00 C ATOM 2706 O GLN B 85 -0.554 -10.498 7.595 1.00 0.00 O ATOM 2707 CB GLN B 85 2.073 -10.825 5.706 1.00 0.00 C ATOM 2708 CG GLN B 85 2.877 -11.872 4.952 1.00 0.00 C ATOM 2709 CD GLN B 85 4.351 -11.827 5.303 1.00 0.00 C ATOM 2710 OE1 GLN B 85 4.800 -12.500 6.233 1.00 0.00 O ATOM 2711 NE2 GLN B 85 5.115 -11.034 4.572 1.00 0.00 N ATOM 0 H GLN B 85 0.993 -10.313 3.551 1.00 0.00 H new ATOM 0 HA GLN B 85 0.247 -11.956 5.657 1.00 0.00 H new ATOM 0 HB2 GLN B 85 2.405 -9.835 5.392 1.00 0.00 H new ATOM 0 HB3 GLN B 85 2.293 -10.913 6.770 1.00 0.00 H new ATOM 0 HG2 GLN B 85 2.482 -12.862 5.178 1.00 0.00 H new ATOM 0 HG3 GLN B 85 2.756 -11.717 3.880 1.00 0.00 H new ATOM 0 HE21 GLN B 85 4.706 -10.492 3.810 1.00 0.00 H new ATOM 0 HE22 GLN B 85 6.113 -10.964 4.770 1.00 0.00 H new ATOM 2720 N ILE B 86 -0.294 -8.769 6.181 1.00 0.00 N ATOM 2721 CA ILE B 86 -0.947 -7.810 7.056 1.00 0.00 C ATOM 2722 C ILE B 86 -2.468 -7.992 7.070 1.00 0.00 C ATOM 2723 O ILE B 86 -3.064 -8.189 8.129 1.00 0.00 O ATOM 2724 CB ILE B 86 -0.596 -6.362 6.648 1.00 0.00 C ATOM 2725 CG1 ILE B 86 0.921 -6.149 6.717 1.00 0.00 C ATOM 2726 CG2 ILE B 86 -1.320 -5.364 7.542 1.00 0.00 C ATOM 2727 CD1 ILE B 86 1.370 -4.778 6.258 1.00 0.00 C ATOM 0 H ILE B 86 0.033 -8.378 5.298 1.00 0.00 H new ATOM 0 HA ILE B 86 -0.575 -7.996 8.064 1.00 0.00 H new ATOM 0 HB ILE B 86 -0.924 -6.198 5.622 1.00 0.00 H new ATOM 0 HG12 ILE B 86 1.253 -6.305 7.743 1.00 0.00 H new ATOM 0 HG13 ILE B 86 1.412 -6.905 6.105 1.00 0.00 H new ATOM 0 HG21 ILE B 86 -1.060 -4.349 7.240 1.00 0.00 H new ATOM 0 HG22 ILE B 86 -2.397 -5.506 7.449 1.00 0.00 H new ATOM 0 HG23 ILE B 86 -1.022 -5.521 8.579 1.00 0.00 H new ATOM 0 HD11 ILE B 86 2.455 -4.705 6.337 1.00 0.00 H new ATOM 0 HD12 ILE B 86 1.070 -4.625 5.221 1.00 0.00 H new ATOM 0 HD13 ILE B 86 0.909 -4.015 6.885 1.00 0.00 H new ATOM 2739 N LEU B 87 -3.090 -7.963 5.897 1.00 0.00 N ATOM 2740 CA LEU B 87 -4.550 -7.983 5.817 1.00 0.00 C ATOM 2741 C LEU B 87 -5.132 -9.356 6.165 1.00 0.00 C ATOM 2742 O LEU B 87 -6.320 -9.473 6.459 1.00 0.00 O ATOM 2743 CB LEU B 87 -5.033 -7.515 4.431 1.00 0.00 C ATOM 2744 CG LEU B 87 -4.507 -8.293 3.214 1.00 0.00 C ATOM 2745 CD1 LEU B 87 -5.286 -9.584 2.997 1.00 0.00 C ATOM 2746 CD2 LEU B 87 -4.562 -7.424 1.969 1.00 0.00 C ATOM 0 H LEU B 87 -2.614 -7.926 4.996 1.00 0.00 H new ATOM 0 HA LEU B 87 -4.919 -7.282 6.565 1.00 0.00 H new ATOM 0 HB2 LEU B 87 -6.122 -7.560 4.418 1.00 0.00 H new ATOM 0 HB3 LEU B 87 -4.756 -6.468 4.310 1.00 0.00 H new ATOM 0 HG LEU B 87 -3.470 -8.562 3.412 1.00 0.00 H new ATOM 0 HD11 LEU B 87 -4.887 -10.108 2.128 1.00 0.00 H new ATOM 0 HD12 LEU B 87 -5.192 -10.218 3.878 1.00 0.00 H new ATOM 0 HD13 LEU B 87 -6.337 -9.351 2.829 1.00 0.00 H new ATOM 0 HD21 LEU B 87 -4.187 -7.988 1.115 1.00 0.00 H new ATOM 0 HD22 LEU B 87 -5.593 -7.123 1.781 1.00 0.00 H new ATOM 0 HD23 LEU B 87 -3.946 -6.537 2.117 1.00 0.00 H new ATOM 2758 N SER B 88 -4.303 -10.389 6.141 1.00 0.00 N ATOM 2759 CA SER B 88 -4.784 -11.735 6.424 1.00 0.00 C ATOM 2760 C SER B 88 -4.719 -12.023 7.921 1.00 0.00 C ATOM 2761 O SER B 88 -5.423 -12.898 8.429 1.00 0.00 O ATOM 2762 CB SER B 88 -3.978 -12.776 5.642 1.00 0.00 C ATOM 2763 OG SER B 88 -4.692 -13.998 5.538 1.00 0.00 O ATOM 0 H SER B 88 -3.307 -10.325 5.932 1.00 0.00 H new ATOM 0 HA SER B 88 -5.824 -11.799 6.104 1.00 0.00 H new ATOM 0 HB2 SER B 88 -3.755 -12.395 4.645 1.00 0.00 H new ATOM 0 HB3 SER B 88 -3.023 -12.950 6.138 1.00 0.00 H new ATOM 0 HG SER B 88 -4.158 -14.647 5.033 1.00 0.00 H new ATOM 2769 N SER B 89 -3.888 -11.268 8.632 1.00 0.00 N ATOM 2770 CA SER B 89 -3.754 -11.431 10.071 1.00 0.00 C ATOM 2771 C SER B 89 -4.754 -10.539 10.802 1.00 0.00 C ATOM 2772 O SER B 89 -4.815 -10.521 12.033 1.00 0.00 O ATOM 2773 CB SER B 89 -2.327 -11.107 10.512 1.00 0.00 C ATOM 2774 OG SER B 89 -1.386 -11.914 9.819 1.00 0.00 O ATOM 0 H SER B 89 -3.298 -10.538 8.233 1.00 0.00 H new ATOM 0 HA SER B 89 -3.967 -12.469 10.325 1.00 0.00 H new ATOM 0 HB2 SER B 89 -2.115 -10.054 10.326 1.00 0.00 H new ATOM 0 HB3 SER B 89 -2.229 -11.268 11.586 1.00 0.00 H new ATOM 0 HG SER B 89 -1.108 -11.459 8.997 1.00 0.00 H new