USER MOD reduce.3.24.130724 H: found=0, std=0, add=589, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 590 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 67 ASN : amide:sc=-0.00141 X(o=-0.0014,f=0.14) USER MOD Set 1.2: A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 19 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 21 THR OG1 : rot 180:sc= 0.0585 USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 26 LYS NZ :NH3+ 158:sc= -0.0448 (180deg=-0.239) USER MOD Single : A 36 GLN : amide:sc= -0.0688 K(o=-0.069,f=-0.72) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 THR OG1 : rot 180:sc= 0.138 USER MOD Single : A 44 CYS SG : rot 33:sc= -1.17 USER MOD Single : A 46 THR OG1 : rot 52:sc= 0.0252 USER MOD Single : A 47 THR OG1 : rot 54:sc= 0.926 USER MOD Single : A 51 SER OG : rot 32:sc= 0.319 USER MOD Single : A 53 GLN : amide:sc= -0.189 K(o=-0.19,f=-1.7) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 ASN : amide:sc= -0.0408 X(o=-0.041,f=-0.28) USER MOD Single : A 74 GLN : amide:sc= -1.39 X(o=-1.4,f=-1.5) USER MOD Single : A 75 TYR OH : rot 69:sc= 1.06 USER MOD Single : A 77 LYS NZ :NH3+ -130:sc= -0.0337 (180deg=-1.52!) USER MOD Single : A 78 CYS SG : rot -124:sc= 0.593 USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 TYR OH : rot 180:sc= -0.249 USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 90 LYS NZ :NH3+ 171:sc=-0.00442 (180deg=-0.0873) USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 228 N MET A 19 12.866 -7.706 4.654 1.00 0.00 N ATOM 229 CA MET A 19 13.028 -6.700 3.610 1.00 0.00 C ATOM 230 C MET A 19 12.965 -5.293 4.196 1.00 0.00 C ATOM 231 O MET A 19 13.775 -4.431 3.857 1.00 0.00 O ATOM 232 CB MET A 19 11.950 -6.867 2.538 1.00 0.00 C ATOM 233 CG MET A 19 12.116 -8.125 1.699 1.00 0.00 C ATOM 234 SD MET A 19 11.666 -7.871 -0.028 1.00 0.00 S ATOM 235 CE MET A 19 9.996 -8.518 -0.041 1.00 0.00 C ATOM 0 HA MET A 19 14.008 -6.841 3.154 1.00 0.00 H new ATOM 0 HB2 MET A 19 10.972 -6.887 3.018 1.00 0.00 H new ATOM 0 HB3 MET A 19 11.965 -5.997 1.881 1.00 0.00 H new ATOM 0 HG2 MET A 19 13.152 -8.461 1.755 1.00 0.00 H new ATOM 0 HG3 MET A 19 11.500 -8.921 2.118 1.00 0.00 H new ATOM 0 HE1 MET A 19 9.580 -8.431 -1.045 1.00 0.00 H new ATOM 0 HE2 MET A 19 10.010 -9.567 0.256 1.00 0.00 H new ATOM 0 HE3 MET A 19 9.381 -7.951 0.658 1.00 0.00 H new ATOM 245 N LEU A 20 11.994 -5.068 5.077 1.00 0.00 N ATOM 246 CA LEU A 20 11.824 -3.766 5.710 1.00 0.00 C ATOM 247 C LEU A 20 13.072 -3.372 6.494 1.00 0.00 C ATOM 248 O LEU A 20 13.678 -2.332 6.234 1.00 0.00 O ATOM 249 CB LEU A 20 10.609 -3.782 6.639 1.00 0.00 C ATOM 250 CG LEU A 20 9.259 -3.600 5.943 1.00 0.00 C ATOM 251 CD1 LEU A 20 8.189 -4.439 6.624 1.00 0.00 C ATOM 252 CD2 LEU A 20 8.861 -2.131 5.930 1.00 0.00 C ATOM 0 H LEU A 20 11.314 -5.771 5.368 1.00 0.00 H new ATOM 0 HA LEU A 20 11.664 -3.028 4.924 1.00 0.00 H new ATOM 0 HB2 LEU A 20 10.597 -4.728 7.180 1.00 0.00 H new ATOM 0 HB3 LEU A 20 10.728 -2.992 7.381 1.00 0.00 H new ATOM 0 HG LEU A 20 9.354 -3.940 4.912 1.00 0.00 H new ATOM 0 HD11 LEU A 20 7.236 -4.296 6.115 1.00 0.00 H new ATOM 0 HD12 LEU A 20 8.470 -5.491 6.581 1.00 0.00 H new ATOM 0 HD13 LEU A 20 8.094 -4.132 7.665 1.00 0.00 H new ATOM 0 HD21 LEU A 20 7.898 -2.019 5.431 1.00 0.00 H new ATOM 0 HD22 LEU A 20 8.784 -1.766 6.954 1.00 0.00 H new ATOM 0 HD23 LEU A 20 9.616 -1.554 5.395 1.00 0.00 H new ATOM 264 N THR A 21 13.451 -4.208 7.454 1.00 0.00 N ATOM 265 CA THR A 21 14.628 -3.947 8.275 1.00 0.00 C ATOM 266 C THR A 21 15.883 -3.855 7.415 1.00 0.00 C ATOM 267 O THR A 21 16.822 -3.131 7.745 1.00 0.00 O ATOM 268 CB THR A 21 14.795 -5.046 9.326 1.00 0.00 C ATOM 269 OG1 THR A 21 13.537 -5.577 9.702 1.00 0.00 O ATOM 270 CG2 THR A 21 15.486 -4.568 10.585 1.00 0.00 C ATOM 0 H THR A 21 12.960 -5.072 7.683 1.00 0.00 H new ATOM 0 HA THR A 21 14.484 -2.991 8.778 1.00 0.00 H new ATOM 0 HB THR A 21 15.418 -5.805 8.853 1.00 0.00 H new ATOM 0 HG1 THR A 21 13.666 -6.279 10.373 1.00 0.00 H new ATOM 0 HG21 THR A 21 15.573 -5.396 11.289 1.00 0.00 H new ATOM 0 HG22 THR A 21 16.480 -4.198 10.336 1.00 0.00 H new ATOM 0 HG23 THR A 21 14.903 -3.766 11.038 1.00 0.00 H new ATOM 278 N SER A 22 15.893 -4.594 6.310 1.00 0.00 N ATOM 279 CA SER A 22 17.034 -4.596 5.402 1.00 0.00 C ATOM 280 C SER A 22 17.183 -3.244 4.711 1.00 0.00 C ATOM 281 O SER A 22 18.242 -2.621 4.765 1.00 0.00 O ATOM 282 CB SER A 22 16.879 -5.701 4.356 1.00 0.00 C ATOM 283 OG SER A 22 17.341 -6.944 4.857 1.00 0.00 O ATOM 0 H SER A 22 15.124 -5.199 6.022 1.00 0.00 H new ATOM 0 HA SER A 22 17.932 -4.785 5.990 1.00 0.00 H new ATOM 0 HB2 SER A 22 15.832 -5.788 4.067 1.00 0.00 H new ATOM 0 HB3 SER A 22 17.437 -5.437 3.458 1.00 0.00 H new ATOM 0 HG SER A 22 17.230 -7.635 4.171 1.00 0.00 H new ATOM 289 N LEU A 23 16.112 -2.796 4.061 1.00 0.00 N ATOM 290 CA LEU A 23 16.123 -1.518 3.359 1.00 0.00 C ATOM 291 C LEU A 23 16.089 -0.355 4.345 1.00 0.00 C ATOM 292 O LEU A 23 16.870 0.591 4.233 1.00 0.00 O ATOM 293 CB LEU A 23 14.932 -1.426 2.404 1.00 0.00 C ATOM 294 CG LEU A 23 15.069 -2.242 1.118 1.00 0.00 C ATOM 295 CD1 LEU A 23 13.711 -2.442 0.464 1.00 0.00 C ATOM 296 CD2 LEU A 23 16.030 -1.559 0.155 1.00 0.00 C ATOM 0 H LEU A 23 15.227 -3.299 4.006 1.00 0.00 H new ATOM 0 HA LEU A 23 17.047 -1.457 2.784 1.00 0.00 H new ATOM 0 HB2 LEU A 23 14.037 -1.755 2.931 1.00 0.00 H new ATOM 0 HB3 LEU A 23 14.779 -0.380 2.138 1.00 0.00 H new ATOM 0 HG LEU A 23 15.474 -3.221 1.373 1.00 0.00 H new ATOM 0 HD11 LEU A 23 13.829 -3.025 -0.449 1.00 0.00 H new ATOM 0 HD12 LEU A 23 13.051 -2.973 1.150 1.00 0.00 H new ATOM 0 HD13 LEU A 23 13.277 -1.472 0.222 1.00 0.00 H new ATOM 0 HD21 LEU A 23 16.116 -2.153 -0.755 1.00 0.00 H new ATOM 0 HD22 LEU A 23 15.653 -0.567 -0.093 1.00 0.00 H new ATOM 0 HD23 LEU A 23 17.010 -1.468 0.623 1.00 0.00 H new ATOM 308 N GLY A 24 15.180 -0.431 5.312 1.00 0.00 N ATOM 309 CA GLY A 24 15.061 0.621 6.304 1.00 0.00 C ATOM 310 C GLY A 24 13.724 1.334 6.235 1.00 0.00 C ATOM 311 O GLY A 24 13.638 2.533 6.503 1.00 0.00 O ATOM 0 H GLY A 24 14.523 -1.203 5.426 1.00 0.00 H new ATOM 0 HA2 GLY A 24 15.191 0.195 7.299 1.00 0.00 H new ATOM 0 HA3 GLY A 24 15.863 1.345 6.160 1.00 0.00 H new ATOM 315 N LEU A 25 12.679 0.594 5.878 1.00 0.00 N ATOM 316 CA LEU A 25 11.340 1.163 5.776 1.00 0.00 C ATOM 317 C LEU A 25 10.487 0.761 6.975 1.00 0.00 C ATOM 318 O LEU A 25 10.798 -0.201 7.675 1.00 0.00 O ATOM 319 CB LEU A 25 10.666 0.705 4.480 1.00 0.00 C ATOM 320 CG LEU A 25 11.531 0.834 3.223 1.00 0.00 C ATOM 321 CD1 LEU A 25 11.330 -0.364 2.309 1.00 0.00 C ATOM 322 CD2 LEU A 25 11.210 2.127 2.486 1.00 0.00 C ATOM 0 H LEU A 25 12.734 -0.400 5.655 1.00 0.00 H new ATOM 0 HA LEU A 25 11.433 2.249 5.765 1.00 0.00 H new ATOM 0 HB2 LEU A 25 10.367 -0.337 4.592 1.00 0.00 H new ATOM 0 HB3 LEU A 25 9.754 1.285 4.337 1.00 0.00 H new ATOM 0 HG LEU A 25 12.577 0.861 3.528 1.00 0.00 H new ATOM 0 HD11 LEU A 25 11.953 -0.253 1.422 1.00 0.00 H new ATOM 0 HD12 LEU A 25 11.609 -1.276 2.837 1.00 0.00 H new ATOM 0 HD13 LEU A 25 10.283 -0.423 2.012 1.00 0.00 H new ATOM 0 HD21 LEU A 25 11.834 2.203 1.595 1.00 0.00 H new ATOM 0 HD22 LEU A 25 10.160 2.129 2.195 1.00 0.00 H new ATOM 0 HD23 LEU A 25 11.406 2.977 3.140 1.00 0.00 H new ATOM 334 N LYS A 26 9.410 1.506 7.205 1.00 0.00 N ATOM 335 CA LYS A 26 8.512 1.226 8.320 1.00 0.00 C ATOM 336 C LYS A 26 7.159 1.899 8.112 1.00 0.00 C ATOM 337 O LYS A 26 7.013 2.770 7.254 1.00 0.00 O ATOM 338 CB LYS A 26 9.136 1.702 9.633 1.00 0.00 C ATOM 339 CG LYS A 26 9.460 3.187 9.650 1.00 0.00 C ATOM 340 CD LYS A 26 9.243 3.789 11.028 1.00 0.00 C ATOM 341 CE LYS A 26 10.549 3.902 11.799 1.00 0.00 C ATOM 342 NZ LYS A 26 11.449 4.935 11.218 1.00 0.00 N ATOM 0 H LYS A 26 9.138 2.307 6.635 1.00 0.00 H new ATOM 0 HA LYS A 26 8.356 0.148 8.368 1.00 0.00 H new ATOM 0 HB2 LYS A 26 8.453 1.478 10.452 1.00 0.00 H new ATOM 0 HB3 LYS A 26 10.050 1.137 9.817 1.00 0.00 H new ATOM 0 HG2 LYS A 26 10.495 3.338 9.345 1.00 0.00 H new ATOM 0 HG3 LYS A 26 8.835 3.705 8.923 1.00 0.00 H new ATOM 0 HD2 LYS A 26 8.792 4.776 10.928 1.00 0.00 H new ATOM 0 HD3 LYS A 26 8.540 3.173 11.589 1.00 0.00 H new ATOM 0 HE2 LYS A 26 10.336 4.149 12.839 1.00 0.00 H new ATOM 0 HE3 LYS A 26 11.056 2.937 11.798 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 12.128 5.249 11.940 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 11.964 4.532 10.410 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 10.884 5.747 10.898 1.00 0.00 H new ATOM 356 N LEU A 27 6.174 1.490 8.903 1.00 0.00 N ATOM 357 CA LEU A 27 4.832 2.054 8.808 1.00 0.00 C ATOM 358 C LEU A 27 4.809 3.493 9.314 1.00 0.00 C ATOM 359 O LEU A 27 4.729 3.736 10.518 1.00 0.00 O ATOM 360 CB LEU A 27 3.841 1.205 9.605 1.00 0.00 C ATOM 361 CG LEU A 27 3.913 -0.300 9.337 1.00 0.00 C ATOM 362 CD1 LEU A 27 3.278 -1.077 10.481 1.00 0.00 C ATOM 363 CD2 LEU A 27 3.233 -0.638 8.019 1.00 0.00 C ATOM 0 H LEU A 27 6.279 0.770 9.618 1.00 0.00 H new ATOM 0 HA LEU A 27 4.538 2.052 7.758 1.00 0.00 H new ATOM 0 HB2 LEU A 27 4.011 1.378 10.668 1.00 0.00 H new ATOM 0 HB3 LEU A 27 2.831 1.550 9.384 1.00 0.00 H new ATOM 0 HG LEU A 27 4.962 -0.588 9.267 1.00 0.00 H new ATOM 0 HD11 LEU A 27 3.338 -2.145 10.273 1.00 0.00 H new ATOM 0 HD12 LEU A 27 3.807 -0.857 11.408 1.00 0.00 H new ATOM 0 HD13 LEU A 27 2.233 -0.786 10.583 1.00 0.00 H new ATOM 0 HD21 LEU A 27 3.293 -1.712 7.844 1.00 0.00 H new ATOM 0 HD22 LEU A 27 2.187 -0.335 8.061 1.00 0.00 H new ATOM 0 HD23 LEU A 27 3.731 -0.109 7.206 1.00 0.00 H new ATOM 375 N GLY A 28 4.880 4.442 8.387 1.00 0.00 N ATOM 376 CA GLY A 28 4.865 5.845 8.760 1.00 0.00 C ATOM 377 C GLY A 28 5.757 6.690 7.871 1.00 0.00 C ATOM 378 O GLY A 28 5.499 7.877 7.672 1.00 0.00 O ATOM 0 H GLY A 28 4.948 4.265 7.385 1.00 0.00 H new ATOM 0 HA2 GLY A 28 3.843 6.221 8.707 1.00 0.00 H new ATOM 0 HA3 GLY A 28 5.189 5.946 9.796 1.00 0.00 H new ATOM 382 N ASP A 29 6.807 6.077 7.334 1.00 0.00 N ATOM 383 CA ASP A 29 7.739 6.782 6.461 1.00 0.00 C ATOM 384 C ASP A 29 7.204 6.847 5.035 1.00 0.00 C ATOM 385 O ASP A 29 6.316 6.081 4.658 1.00 0.00 O ATOM 386 CB ASP A 29 9.105 6.092 6.477 1.00 0.00 C ATOM 387 CG ASP A 29 9.979 6.569 7.619 1.00 0.00 C ATOM 388 OD1 ASP A 29 9.463 6.700 8.749 1.00 0.00 O ATOM 389 OD2 ASP A 29 11.182 6.810 7.385 1.00 0.00 O ATOM 0 H ASP A 29 7.034 5.094 7.488 1.00 0.00 H new ATOM 0 HA ASP A 29 7.850 7.800 6.834 1.00 0.00 H new ATOM 0 HB2 ASP A 29 8.964 5.014 6.557 1.00 0.00 H new ATOM 0 HB3 ASP A 29 9.614 6.278 5.531 1.00 0.00 H new ATOM 394 N ARG A 30 7.752 7.765 4.244 1.00 0.00 N ATOM 395 CA ARG A 30 7.330 7.930 2.858 1.00 0.00 C ATOM 396 C ARG A 30 7.981 6.879 1.964 1.00 0.00 C ATOM 397 O ARG A 30 9.088 6.416 2.239 1.00 0.00 O ATOM 398 CB ARG A 30 7.681 9.335 2.361 1.00 0.00 C ATOM 399 CG ARG A 30 6.465 10.209 2.101 1.00 0.00 C ATOM 400 CD ARG A 30 6.072 10.196 0.631 1.00 0.00 C ATOM 401 NE ARG A 30 5.867 11.544 0.108 1.00 0.00 N ATOM 402 CZ ARG A 30 4.764 12.260 0.311 1.00 0.00 C ATOM 403 NH1 ARG A 30 3.763 11.761 1.026 1.00 0.00 N ATOM 404 NH2 ARG A 30 4.660 13.479 -0.201 1.00 0.00 N ATOM 0 H ARG A 30 8.489 8.405 4.540 1.00 0.00 H new ATOM 0 HA ARG A 30 6.249 7.798 2.812 1.00 0.00 H new ATOM 0 HB2 ARG A 30 8.318 9.823 3.098 1.00 0.00 H new ATOM 0 HB3 ARG A 30 8.262 9.252 1.442 1.00 0.00 H new ATOM 0 HG2 ARG A 30 5.628 9.859 2.705 1.00 0.00 H new ATOM 0 HG3 ARG A 30 6.677 11.232 2.413 1.00 0.00 H new ATOM 0 HD2 ARG A 30 6.849 9.697 0.052 1.00 0.00 H new ATOM 0 HD3 ARG A 30 5.158 9.615 0.505 1.00 0.00 H new ATOM 0 HE ARG A 30 6.614 11.962 -0.446 1.00 0.00 H new ATOM 0 HH11 ARG A 30 3.837 10.824 1.423 1.00 0.00 H new ATOM 0 HH12 ARG A 30 2.920 12.314 1.178 1.00 0.00 H new ATOM 0 HH21 ARG A 30 5.426 13.868 -0.751 1.00 0.00 H new ATOM 0 HH22 ARG A 30 3.814 14.027 -0.045 1.00 0.00 H new ATOM 418 N VAL A 31 7.286 6.508 0.894 1.00 0.00 N ATOM 419 CA VAL A 31 7.797 5.513 -0.041 1.00 0.00 C ATOM 420 C VAL A 31 7.505 5.912 -1.483 1.00 0.00 C ATOM 421 O VAL A 31 6.682 6.791 -1.739 1.00 0.00 O ATOM 422 CB VAL A 31 7.186 4.125 0.228 1.00 0.00 C ATOM 423 CG1 VAL A 31 7.630 3.599 1.585 1.00 0.00 C ATOM 424 CG2 VAL A 31 5.669 4.183 0.140 1.00 0.00 C ATOM 0 H VAL A 31 6.368 6.881 0.653 1.00 0.00 H new ATOM 0 HA VAL A 31 8.876 5.464 0.108 1.00 0.00 H new ATOM 0 HB VAL A 31 7.545 3.436 -0.537 1.00 0.00 H new ATOM 0 HG11 VAL A 31 7.188 2.618 1.757 1.00 0.00 H new ATOM 0 HG12 VAL A 31 8.717 3.516 1.605 1.00 0.00 H new ATOM 0 HG13 VAL A 31 7.304 4.286 2.366 1.00 0.00 H new ATOM 0 HG21 VAL A 31 5.255 3.193 0.333 1.00 0.00 H new ATOM 0 HG22 VAL A 31 5.288 4.886 0.881 1.00 0.00 H new ATOM 0 HG23 VAL A 31 5.375 4.511 -0.857 1.00 0.00 H new ATOM 434 N VAL A 32 8.185 5.262 -2.422 1.00 0.00 N ATOM 435 CA VAL A 32 7.998 5.549 -3.839 1.00 0.00 C ATOM 436 C VAL A 32 7.729 4.271 -4.628 1.00 0.00 C ATOM 437 O VAL A 32 8.507 3.319 -4.572 1.00 0.00 O ATOM 438 CB VAL A 32 9.229 6.263 -4.433 1.00 0.00 C ATOM 439 CG1 VAL A 32 10.465 5.381 -4.330 1.00 0.00 C ATOM 440 CG2 VAL A 32 8.971 6.665 -5.878 1.00 0.00 C ATOM 0 H VAL A 32 8.871 4.533 -2.227 1.00 0.00 H new ATOM 0 HA VAL A 32 7.133 6.208 -3.919 1.00 0.00 H new ATOM 0 HB VAL A 32 9.410 7.169 -3.855 1.00 0.00 H new ATOM 0 HG11 VAL A 32 11.322 5.904 -4.755 1.00 0.00 H new ATOM 0 HG12 VAL A 32 10.662 5.152 -3.283 1.00 0.00 H new ATOM 0 HG13 VAL A 32 10.297 4.454 -4.879 1.00 0.00 H new ATOM 0 HG21 VAL A 32 9.852 7.167 -6.279 1.00 0.00 H new ATOM 0 HG22 VAL A 32 8.759 5.775 -6.471 1.00 0.00 H new ATOM 0 HG23 VAL A 32 8.117 7.341 -5.921 1.00 0.00 H new ATOM 450 N ILE A 33 6.621 4.258 -5.362 1.00 0.00 N ATOM 451 CA ILE A 33 6.247 3.097 -6.162 1.00 0.00 C ATOM 452 C ILE A 33 6.954 3.113 -7.513 1.00 0.00 C ATOM 453 O ILE A 33 6.749 4.019 -8.321 1.00 0.00 O ATOM 454 CB ILE A 33 4.725 3.037 -6.391 1.00 0.00 C ATOM 455 CG1 ILE A 33 3.978 3.187 -5.064 1.00 0.00 C ATOM 456 CG2 ILE A 33 4.343 1.731 -7.073 1.00 0.00 C ATOM 457 CD1 ILE A 33 2.610 3.819 -5.210 1.00 0.00 C ATOM 0 H ILE A 33 5.966 5.038 -5.419 1.00 0.00 H new ATOM 0 HA ILE A 33 6.555 2.214 -5.603 1.00 0.00 H new ATOM 0 HB ILE A 33 4.440 3.863 -7.042 1.00 0.00 H new ATOM 0 HG12 ILE A 33 3.869 2.205 -4.605 1.00 0.00 H new ATOM 0 HG13 ILE A 33 4.578 3.792 -4.384 1.00 0.00 H new ATOM 0 HG21 ILE A 33 3.264 1.703 -7.228 1.00 0.00 H new ATOM 0 HG22 ILE A 33 4.850 1.661 -8.035 1.00 0.00 H new ATOM 0 HG23 ILE A 33 4.641 0.892 -6.445 1.00 0.00 H new ATOM 0 HD11 ILE A 33 2.138 3.894 -4.231 1.00 0.00 H new ATOM 0 HD12 ILE A 33 2.713 4.815 -5.641 1.00 0.00 H new ATOM 0 HD13 ILE A 33 1.993 3.203 -5.864 1.00 0.00 H new ATOM 469 N ALA A 34 7.784 2.103 -7.753 1.00 0.00 N ATOM 470 CA ALA A 34 8.520 2.000 -9.007 1.00 0.00 C ATOM 471 C ALA A 34 9.392 3.231 -9.241 1.00 0.00 C ATOM 472 O ALA A 34 9.700 3.577 -10.381 1.00 0.00 O ATOM 473 CB ALA A 34 7.558 1.806 -10.169 1.00 0.00 C ATOM 0 H ALA A 34 7.963 1.344 -7.095 1.00 0.00 H new ATOM 0 HA ALA A 34 9.176 1.132 -8.941 1.00 0.00 H new ATOM 0 HB1 ALA A 34 8.121 1.731 -11.099 1.00 0.00 H new ATOM 0 HB2 ALA A 34 6.984 0.892 -10.017 1.00 0.00 H new ATOM 0 HB3 ALA A 34 6.878 2.656 -10.224 1.00 0.00 H new ATOM 479 N GLY A 35 9.786 3.889 -8.153 1.00 0.00 N ATOM 480 CA GLY A 35 10.618 5.073 -8.265 1.00 0.00 C ATOM 481 C GLY A 35 9.986 6.151 -9.125 1.00 0.00 C ATOM 482 O GLY A 35 10.675 6.827 -9.888 1.00 0.00 O ATOM 0 H GLY A 35 9.544 3.623 -7.198 1.00 0.00 H new ATOM 0 HA2 GLY A 35 10.809 5.473 -7.269 1.00 0.00 H new ATOM 0 HA3 GLY A 35 11.583 4.795 -8.688 1.00 0.00 H new ATOM 486 N GLN A 36 8.673 6.310 -9.001 1.00 0.00 N ATOM 487 CA GLN A 36 7.949 7.314 -9.774 1.00 0.00 C ATOM 488 C GLN A 36 6.846 7.955 -8.938 1.00 0.00 C ATOM 489 O GLN A 36 6.870 9.158 -8.680 1.00 0.00 O ATOM 490 CB GLN A 36 7.351 6.683 -11.032 1.00 0.00 C ATOM 491 CG GLN A 36 8.322 6.614 -12.199 1.00 0.00 C ATOM 492 CD GLN A 36 8.084 7.706 -13.222 1.00 0.00 C ATOM 493 OE1 GLN A 36 7.545 8.766 -12.901 1.00 0.00 O ATOM 494 NE2 GLN A 36 8.484 7.455 -14.462 1.00 0.00 N ATOM 0 H GLN A 36 8.088 5.758 -8.374 1.00 0.00 H new ATOM 0 HA GLN A 36 8.655 8.091 -10.065 1.00 0.00 H new ATOM 0 HB2 GLN A 36 7.008 5.676 -10.795 1.00 0.00 H new ATOM 0 HB3 GLN A 36 6.474 7.255 -11.334 1.00 0.00 H new ATOM 0 HG2 GLN A 36 9.342 6.690 -11.823 1.00 0.00 H new ATOM 0 HG3 GLN A 36 8.233 5.642 -12.684 1.00 0.00 H new ATOM 0 HE21 GLN A 36 8.926 6.563 -14.685 1.00 0.00 H new ATOM 0 HE22 GLN A 36 8.349 8.154 -15.193 1.00 0.00 H new ATOM 503 N LYS A 37 5.879 7.143 -8.520 1.00 0.00 N ATOM 504 CA LYS A 37 4.766 7.632 -7.716 1.00 0.00 C ATOM 505 C LYS A 37 5.216 7.935 -6.289 1.00 0.00 C ATOM 506 O LYS A 37 6.037 7.215 -5.722 1.00 0.00 O ATOM 507 CB LYS A 37 3.633 6.606 -7.698 1.00 0.00 C ATOM 508 CG LYS A 37 3.274 6.071 -9.075 1.00 0.00 C ATOM 509 CD LYS A 37 2.215 4.985 -8.993 1.00 0.00 C ATOM 510 CE LYS A 37 0.813 5.575 -8.969 1.00 0.00 C ATOM 511 NZ LYS A 37 0.328 5.909 -10.336 1.00 0.00 N ATOM 0 H LYS A 37 5.845 6.144 -8.725 1.00 0.00 H new ATOM 0 HA LYS A 37 4.404 8.556 -8.167 1.00 0.00 H new ATOM 0 HB2 LYS A 37 3.919 5.772 -7.057 1.00 0.00 H new ATOM 0 HB3 LYS A 37 2.749 7.062 -7.253 1.00 0.00 H new ATOM 0 HG2 LYS A 37 2.912 6.887 -9.700 1.00 0.00 H new ATOM 0 HG3 LYS A 37 4.168 5.673 -9.556 1.00 0.00 H new ATOM 0 HD2 LYS A 37 2.314 4.314 -9.846 1.00 0.00 H new ATOM 0 HD3 LYS A 37 2.375 4.387 -8.096 1.00 0.00 H new ATOM 0 HE2 LYS A 37 0.128 4.865 -8.504 1.00 0.00 H new ATOM 0 HE3 LYS A 37 0.808 6.474 -8.352 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -0.630 6.308 -10.276 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 0.967 6.605 -10.770 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 0.308 5.047 -10.918 1.00 0.00 H new ATOM 525 N VAL A 38 4.671 9.003 -5.717 1.00 0.00 N ATOM 526 CA VAL A 38 5.015 9.401 -4.357 1.00 0.00 C ATOM 527 C VAL A 38 3.834 9.209 -3.412 1.00 0.00 C ATOM 528 O VAL A 38 2.736 9.705 -3.667 1.00 0.00 O ATOM 529 CB VAL A 38 5.469 10.871 -4.299 1.00 0.00 C ATOM 530 CG1 VAL A 38 6.012 11.208 -2.919 1.00 0.00 C ATOM 531 CG2 VAL A 38 6.509 11.151 -5.372 1.00 0.00 C ATOM 0 H VAL A 38 3.989 9.609 -6.174 1.00 0.00 H new ATOM 0 HA VAL A 38 5.839 8.761 -4.040 1.00 0.00 H new ATOM 0 HB VAL A 38 4.604 11.507 -4.489 1.00 0.00 H new ATOM 0 HG11 VAL A 38 6.328 12.251 -2.897 1.00 0.00 H new ATOM 0 HG12 VAL A 38 5.233 11.049 -2.173 1.00 0.00 H new ATOM 0 HG13 VAL A 38 6.864 10.566 -2.697 1.00 0.00 H new ATOM 0 HG21 VAL A 38 6.818 12.195 -5.316 1.00 0.00 H new ATOM 0 HG22 VAL A 38 7.375 10.507 -5.216 1.00 0.00 H new ATOM 0 HG23 VAL A 38 6.081 10.952 -6.354 1.00 0.00 H new ATOM 541 N GLY A 39 4.065 8.486 -2.322 1.00 0.00 N ATOM 542 CA GLY A 39 3.011 8.240 -1.356 1.00 0.00 C ATOM 543 C GLY A 39 3.548 7.775 -0.016 1.00 0.00 C ATOM 544 O GLY A 39 4.610 7.160 0.053 1.00 0.00 O ATOM 0 H GLY A 39 4.965 8.065 -2.090 1.00 0.00 H new ATOM 0 HA2 GLY A 39 2.432 9.153 -1.215 1.00 0.00 H new ATOM 0 HA3 GLY A 39 2.329 7.487 -1.751 1.00 0.00 H new ATOM 548 N THR A 40 2.809 8.071 1.048 1.00 0.00 N ATOM 549 CA THR A 40 3.217 7.678 2.392 1.00 0.00 C ATOM 550 C THR A 40 2.799 6.242 2.690 1.00 0.00 C ATOM 551 O THR A 40 1.632 5.879 2.534 1.00 0.00 O ATOM 552 CB THR A 40 2.609 8.624 3.429 1.00 0.00 C ATOM 553 OG1 THR A 40 2.484 9.933 2.901 1.00 0.00 O ATOM 554 CG2 THR A 40 3.420 8.719 4.703 1.00 0.00 C ATOM 0 H THR A 40 1.926 8.581 1.006 1.00 0.00 H new ATOM 0 HA THR A 40 4.304 7.739 2.447 1.00 0.00 H new ATOM 0 HB THR A 40 1.634 8.199 3.670 1.00 0.00 H new ATOM 0 HG1 THR A 40 2.092 10.523 3.578 1.00 0.00 H new ATOM 0 HG21 THR A 40 2.932 9.406 5.394 1.00 0.00 H new ATOM 0 HG22 THR A 40 3.493 7.733 5.162 1.00 0.00 H new ATOM 0 HG23 THR A 40 4.420 9.086 4.471 1.00 0.00 H new ATOM 562 N LEU A 41 3.759 5.428 3.118 1.00 0.00 N ATOM 563 CA LEU A 41 3.490 4.031 3.437 1.00 0.00 C ATOM 564 C LEU A 41 2.531 3.917 4.617 1.00 0.00 C ATOM 565 O LEU A 41 2.801 4.431 5.703 1.00 0.00 O ATOM 566 CB LEU A 41 4.795 3.299 3.753 1.00 0.00 C ATOM 567 CG LEU A 41 4.646 1.803 4.039 1.00 0.00 C ATOM 568 CD1 LEU A 41 4.216 1.060 2.784 1.00 0.00 C ATOM 569 CD2 LEU A 41 5.948 1.232 4.579 1.00 0.00 C ATOM 0 H LEU A 41 4.730 5.712 3.252 1.00 0.00 H new ATOM 0 HA LEU A 41 3.023 3.569 2.567 1.00 0.00 H new ATOM 0 HB2 LEU A 41 5.478 3.426 2.913 1.00 0.00 H new ATOM 0 HB3 LEU A 41 5.260 3.774 4.617 1.00 0.00 H new ATOM 0 HG LEU A 41 3.873 1.672 4.796 1.00 0.00 H new ATOM 0 HD11 LEU A 41 4.115 -0.002 3.007 1.00 0.00 H new ATOM 0 HD12 LEU A 41 3.259 1.451 2.440 1.00 0.00 H new ATOM 0 HD13 LEU A 41 4.966 1.198 2.005 1.00 0.00 H new ATOM 0 HD21 LEU A 41 5.824 0.167 4.777 1.00 0.00 H new ATOM 0 HD22 LEU A 41 6.740 1.375 3.844 1.00 0.00 H new ATOM 0 HD23 LEU A 41 6.214 1.744 5.504 1.00 0.00 H new ATOM 581 N ARG A 42 1.408 3.240 4.397 1.00 0.00 N ATOM 582 CA ARG A 42 0.408 3.057 5.443 1.00 0.00 C ATOM 583 C ARG A 42 0.370 1.606 5.913 1.00 0.00 C ATOM 584 O ARG A 42 0.084 1.328 7.076 1.00 0.00 O ATOM 585 CB ARG A 42 -0.972 3.478 4.935 1.00 0.00 C ATOM 586 CG ARG A 42 -1.046 4.938 4.516 1.00 0.00 C ATOM 587 CD ARG A 42 -0.881 5.870 5.706 1.00 0.00 C ATOM 588 NE ARG A 42 -2.053 6.720 5.902 1.00 0.00 N ATOM 589 CZ ARG A 42 -2.328 7.353 7.041 1.00 0.00 C ATOM 590 NH1 ARG A 42 -1.519 7.236 8.086 1.00 0.00 N ATOM 591 NH2 ARG A 42 -3.416 8.106 7.133 1.00 0.00 N ATOM 0 H ARG A 42 1.168 2.809 3.504 1.00 0.00 H new ATOM 0 HA ARG A 42 0.684 3.686 6.290 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -1.245 2.851 4.086 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -1.709 3.295 5.717 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -0.270 5.146 3.780 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -2.004 5.130 4.032 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -0.706 5.281 6.606 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -0.000 6.495 5.558 1.00 0.00 H new ATOM 0 HE ARG A 42 -2.698 6.835 5.121 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -0.681 6.659 8.020 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -1.735 7.723 8.955 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -4.041 8.200 6.332 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -3.628 8.591 8.005 1.00 0.00 H new ATOM 605 N PHE A 43 0.660 0.686 4.998 1.00 0.00 N ATOM 606 CA PHE A 43 0.659 -0.736 5.319 1.00 0.00 C ATOM 607 C PHE A 43 1.577 -1.507 4.375 1.00 0.00 C ATOM 608 O PHE A 43 1.781 -1.107 3.229 1.00 0.00 O ATOM 609 CB PHE A 43 -0.761 -1.298 5.241 1.00 0.00 C ATOM 610 CG PHE A 43 -0.855 -2.746 5.630 1.00 0.00 C ATOM 611 CD1 PHE A 43 -0.991 -3.111 6.961 1.00 0.00 C ATOM 612 CD2 PHE A 43 -0.809 -3.742 4.667 1.00 0.00 C ATOM 613 CE1 PHE A 43 -1.079 -4.442 7.322 1.00 0.00 C ATOM 614 CE2 PHE A 43 -0.896 -5.074 5.024 1.00 0.00 C ATOM 615 CZ PHE A 43 -1.031 -5.425 6.353 1.00 0.00 C ATOM 0 H PHE A 43 0.898 0.900 4.030 1.00 0.00 H new ATOM 0 HA PHE A 43 1.032 -0.853 6.336 1.00 0.00 H new ATOM 0 HB2 PHE A 43 -1.411 -0.712 5.891 1.00 0.00 H new ATOM 0 HB3 PHE A 43 -1.135 -1.178 4.224 1.00 0.00 H new ATOM 0 HD1 PHE A 43 -1.029 -2.347 7.723 1.00 0.00 H new ATOM 0 HD2 PHE A 43 -0.704 -3.474 3.626 1.00 0.00 H new ATOM 0 HE1 PHE A 43 -1.185 -4.714 8.362 1.00 0.00 H new ATOM 0 HE2 PHE A 43 -0.858 -5.840 4.264 1.00 0.00 H new ATOM 0 HZ PHE A 43 -1.099 -6.466 6.634 1.00 0.00 H new ATOM 625 N CYS A 44 2.128 -2.612 4.865 1.00 0.00 N ATOM 626 CA CYS A 44 3.024 -3.439 4.064 1.00 0.00 C ATOM 627 C CYS A 44 2.899 -4.910 4.450 1.00 0.00 C ATOM 628 O CYS A 44 2.698 -5.241 5.618 1.00 0.00 O ATOM 629 CB CYS A 44 4.471 -2.975 4.239 1.00 0.00 C ATOM 630 SG CYS A 44 4.950 -2.685 5.959 1.00 0.00 S ATOM 0 H CYS A 44 1.970 -2.956 5.812 1.00 0.00 H new ATOM 0 HA CYS A 44 2.739 -3.332 3.017 1.00 0.00 H new ATOM 0 HB2 CYS A 44 5.136 -3.724 3.809 1.00 0.00 H new ATOM 0 HB3 CYS A 44 4.618 -2.056 3.672 1.00 0.00 H new ATOM 0 HG CYS A 44 4.325 -3.524 6.731 1.00 0.00 H new ATOM 636 N GLY A 45 3.019 -5.787 3.460 1.00 0.00 N ATOM 637 CA GLY A 45 2.916 -7.212 3.715 1.00 0.00 C ATOM 638 C GLY A 45 2.192 -7.949 2.605 1.00 0.00 C ATOM 639 O GLY A 45 2.290 -7.576 1.437 1.00 0.00 O ATOM 0 H GLY A 45 3.186 -5.537 2.485 1.00 0.00 H new ATOM 0 HA2 GLY A 45 3.916 -7.630 3.833 1.00 0.00 H new ATOM 0 HA3 GLY A 45 2.391 -7.372 4.656 1.00 0.00 H new ATOM 643 N THR A 46 1.464 -8.998 2.972 1.00 0.00 N ATOM 644 CA THR A 46 0.719 -9.789 2.000 1.00 0.00 C ATOM 645 C THR A 46 -0.764 -9.433 2.027 1.00 0.00 C ATOM 646 O THR A 46 -1.321 -9.137 3.085 1.00 0.00 O ATOM 647 CB THR A 46 0.902 -11.282 2.279 1.00 0.00 C ATOM 648 OG1 THR A 46 1.136 -11.509 3.658 1.00 0.00 O ATOM 649 CG2 THR A 46 2.052 -11.899 1.511 1.00 0.00 C ATOM 0 H THR A 46 1.374 -9.320 3.936 1.00 0.00 H new ATOM 0 HA THR A 46 1.110 -9.560 1.008 1.00 0.00 H new ATOM 0 HB THR A 46 -0.025 -11.752 1.952 1.00 0.00 H new ATOM 0 HG1 THR A 46 0.437 -11.068 4.185 1.00 0.00 H new ATOM 0 HG21 THR A 46 2.126 -12.959 1.755 1.00 0.00 H new ATOM 0 HG22 THR A 46 1.878 -11.784 0.441 1.00 0.00 H new ATOM 0 HG23 THR A 46 2.981 -11.399 1.783 1.00 0.00 H new ATOM 657 N THR A 47 -1.396 -9.463 0.860 1.00 0.00 N ATOM 658 CA THR A 47 -2.814 -9.143 0.750 1.00 0.00 C ATOM 659 C THR A 47 -3.647 -10.410 0.585 1.00 0.00 C ATOM 660 O THR A 47 -3.106 -11.501 0.407 1.00 0.00 O ATOM 661 CB THR A 47 -3.057 -8.202 -0.430 1.00 0.00 C ATOM 662 OG1 THR A 47 -2.318 -8.620 -1.565 1.00 0.00 O ATOM 663 CG2 THR A 47 -2.676 -6.766 -0.138 1.00 0.00 C ATOM 0 H THR A 47 -0.949 -9.706 -0.024 1.00 0.00 H new ATOM 0 HA THR A 47 -3.120 -8.646 1.670 1.00 0.00 H new ATOM 0 HB THR A 47 -4.130 -8.246 -0.619 1.00 0.00 H new ATOM 0 HG1 THR A 47 -2.517 -9.560 -1.757 1.00 0.00 H new ATOM 0 HG21 THR A 47 -2.873 -6.151 -1.016 1.00 0.00 H new ATOM 0 HG22 THR A 47 -3.264 -6.397 0.702 1.00 0.00 H new ATOM 0 HG23 THR A 47 -1.616 -6.714 0.110 1.00 0.00 H new ATOM 671 N GLU A 48 -4.966 -10.257 0.644 1.00 0.00 N ATOM 672 CA GLU A 48 -5.873 -11.389 0.500 1.00 0.00 C ATOM 673 C GLU A 48 -6.396 -11.489 -0.929 1.00 0.00 C ATOM 674 O GLU A 48 -6.668 -12.582 -1.427 1.00 0.00 O ATOM 675 CB GLU A 48 -7.044 -11.259 1.476 1.00 0.00 C ATOM 676 CG GLU A 48 -6.640 -11.405 2.934 1.00 0.00 C ATOM 677 CD GLU A 48 -7.583 -12.300 3.714 1.00 0.00 C ATOM 678 OE1 GLU A 48 -8.705 -11.851 4.027 1.00 0.00 O ATOM 679 OE2 GLU A 48 -7.198 -13.451 4.012 1.00 0.00 O ATOM 0 H GLU A 48 -5.430 -9.360 0.790 1.00 0.00 H new ATOM 0 HA GLU A 48 -5.318 -12.298 0.729 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -7.518 -10.288 1.335 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -7.791 -12.016 1.237 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -5.630 -11.812 2.988 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -6.612 -10.420 3.400 1.00 0.00 H new ATOM 686 N PHE A 49 -6.535 -10.342 -1.586 1.00 0.00 N ATOM 687 CA PHE A 49 -7.024 -10.301 -2.959 1.00 0.00 C ATOM 688 C PHE A 49 -5.920 -10.675 -3.942 1.00 0.00 C ATOM 689 O PHE A 49 -6.143 -11.440 -4.880 1.00 0.00 O ATOM 690 CB PHE A 49 -7.565 -8.909 -3.288 1.00 0.00 C ATOM 691 CG PHE A 49 -6.566 -7.809 -3.067 1.00 0.00 C ATOM 692 CD1 PHE A 49 -5.667 -7.462 -4.062 1.00 0.00 C ATOM 693 CD2 PHE A 49 -6.528 -7.122 -1.864 1.00 0.00 C ATOM 694 CE1 PHE A 49 -4.747 -6.450 -3.862 1.00 0.00 C ATOM 695 CE2 PHE A 49 -5.610 -6.109 -1.657 1.00 0.00 C ATOM 696 CZ PHE A 49 -4.719 -5.773 -2.657 1.00 0.00 C ATOM 0 H PHE A 49 -6.316 -9.428 -1.189 1.00 0.00 H new ATOM 0 HA PHE A 49 -7.830 -11.029 -3.053 1.00 0.00 H new ATOM 0 HB2 PHE A 49 -7.889 -8.891 -4.329 1.00 0.00 H new ATOM 0 HB3 PHE A 49 -8.446 -8.717 -2.676 1.00 0.00 H new ATOM 0 HD1 PHE A 49 -5.685 -7.988 -5.005 1.00 0.00 H new ATOM 0 HD2 PHE A 49 -7.223 -7.381 -1.079 1.00 0.00 H new ATOM 0 HE1 PHE A 49 -4.051 -6.189 -4.646 1.00 0.00 H new ATOM 0 HE2 PHE A 49 -5.590 -5.581 -0.715 1.00 0.00 H new ATOM 0 HZ PHE A 49 -4.001 -4.982 -2.498 1.00 0.00 H new ATOM 706 N ALA A 50 -4.728 -10.130 -3.719 1.00 0.00 N ATOM 707 CA ALA A 50 -3.589 -10.406 -4.585 1.00 0.00 C ATOM 708 C ALA A 50 -2.554 -11.270 -3.873 1.00 0.00 C ATOM 709 O ALA A 50 -2.334 -11.127 -2.670 1.00 0.00 O ATOM 710 CB ALA A 50 -2.957 -9.105 -5.058 1.00 0.00 C ATOM 0 H ALA A 50 -4.527 -9.495 -2.946 1.00 0.00 H new ATOM 0 HA ALA A 50 -3.950 -10.958 -5.453 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -2.108 -9.327 -5.704 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -3.693 -8.524 -5.613 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -2.617 -8.531 -4.196 1.00 0.00 H new ATOM 716 N SER A 51 -1.921 -12.167 -4.622 1.00 0.00 N ATOM 717 CA SER A 51 -0.908 -13.055 -4.061 1.00 0.00 C ATOM 718 C SER A 51 0.490 -12.476 -4.254 1.00 0.00 C ATOM 719 O SER A 51 0.935 -12.267 -5.381 1.00 0.00 O ATOM 720 CB SER A 51 -0.995 -14.437 -4.711 1.00 0.00 C ATOM 721 OG SER A 51 -0.896 -14.345 -6.121 1.00 0.00 O ATOM 0 H SER A 51 -2.091 -12.299 -5.619 1.00 0.00 H new ATOM 0 HA SER A 51 -1.097 -13.152 -2.992 1.00 0.00 H new ATOM 0 HB2 SER A 51 -0.197 -15.073 -4.328 1.00 0.00 H new ATOM 0 HB3 SER A 51 -1.938 -14.911 -4.440 1.00 0.00 H new ATOM 0 HG SER A 51 -0.315 -13.593 -6.360 1.00 0.00 H new ATOM 727 N GLY A 52 1.176 -12.220 -3.145 1.00 0.00 N ATOM 728 CA GLY A 52 2.516 -11.668 -3.214 1.00 0.00 C ATOM 729 C GLY A 52 2.775 -10.635 -2.134 1.00 0.00 C ATOM 730 O GLY A 52 1.972 -10.477 -1.213 1.00 0.00 O ATOM 0 H GLY A 52 0.828 -12.385 -2.200 1.00 0.00 H new ATOM 0 HA2 GLY A 52 3.243 -12.475 -3.122 1.00 0.00 H new ATOM 0 HA3 GLY A 52 2.668 -11.212 -4.192 1.00 0.00 H new ATOM 734 N GLN A 53 3.896 -9.931 -2.246 1.00 0.00 N ATOM 735 CA GLN A 53 4.256 -8.909 -1.272 1.00 0.00 C ATOM 736 C GLN A 53 3.790 -7.531 -1.733 1.00 0.00 C ATOM 737 O GLN A 53 4.437 -6.891 -2.562 1.00 0.00 O ATOM 738 CB GLN A 53 5.771 -8.903 -1.045 1.00 0.00 C ATOM 739 CG GLN A 53 6.183 -9.436 0.317 1.00 0.00 C ATOM 740 CD GLN A 53 5.683 -10.846 0.566 1.00 0.00 C ATOM 741 OE1 GLN A 53 5.399 -11.591 -0.372 1.00 0.00 O ATOM 742 NE2 GLN A 53 5.572 -11.219 1.835 1.00 0.00 N ATOM 0 H GLN A 53 4.571 -10.050 -3.002 1.00 0.00 H new ATOM 0 HA GLN A 53 3.757 -9.144 -0.332 1.00 0.00 H new ATOM 0 HB2 GLN A 53 6.249 -9.502 -1.820 1.00 0.00 H new ATOM 0 HB3 GLN A 53 6.143 -7.884 -1.155 1.00 0.00 H new ATOM 0 HG2 GLN A 53 7.270 -9.421 0.396 1.00 0.00 H new ATOM 0 HG3 GLN A 53 5.798 -8.775 1.094 1.00 0.00 H new ATOM 0 HE21 GLN A 53 5.819 -10.569 2.581 1.00 0.00 H new ATOM 0 HE22 GLN A 53 5.240 -12.156 2.064 1.00 0.00 H new ATOM 751 N TRP A 54 2.664 -7.081 -1.189 1.00 0.00 N ATOM 752 CA TRP A 54 2.110 -5.779 -1.545 1.00 0.00 C ATOM 753 C TRP A 54 2.214 -4.806 -0.373 1.00 0.00 C ATOM 754 O TRP A 54 2.714 -5.157 0.695 1.00 0.00 O ATOM 755 CB TRP A 54 0.649 -5.924 -1.974 1.00 0.00 C ATOM 756 CG TRP A 54 0.455 -6.887 -3.104 1.00 0.00 C ATOM 757 CD1 TRP A 54 0.318 -8.242 -3.011 1.00 0.00 C ATOM 758 CD2 TRP A 54 0.377 -6.570 -4.499 1.00 0.00 C ATOM 759 NE1 TRP A 54 0.159 -8.788 -4.262 1.00 0.00 N ATOM 760 CE2 TRP A 54 0.192 -7.781 -5.193 1.00 0.00 C ATOM 761 CE3 TRP A 54 0.446 -5.380 -5.228 1.00 0.00 C ATOM 762 CZ2 TRP A 54 0.074 -7.835 -6.579 1.00 0.00 C ATOM 763 CZ3 TRP A 54 0.329 -5.435 -6.605 1.00 0.00 C ATOM 764 CH2 TRP A 54 0.145 -6.654 -7.267 1.00 0.00 C ATOM 0 H TRP A 54 2.117 -7.598 -0.500 1.00 0.00 H new ATOM 0 HA TRP A 54 2.688 -5.380 -2.378 1.00 0.00 H new ATOM 0 HB2 TRP A 54 0.058 -6.254 -1.120 1.00 0.00 H new ATOM 0 HB3 TRP A 54 0.266 -4.947 -2.269 1.00 0.00 H new ATOM 0 HD1 TRP A 54 0.332 -8.803 -2.088 1.00 0.00 H new ATOM 0 HE1 TRP A 54 0.036 -9.780 -4.465 1.00 0.00 H new ATOM 0 HE3 TRP A 54 0.588 -4.435 -4.725 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 -0.068 -8.774 -7.093 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 0.381 -4.522 -7.179 1.00 0.00 H new ATOM 0 HH2 TRP A 54 0.057 -6.663 -8.343 1.00 0.00 H new ATOM 775 N ALA A 55 1.739 -3.583 -0.583 1.00 0.00 N ATOM 776 CA ALA A 55 1.779 -2.560 0.454 1.00 0.00 C ATOM 777 C ALA A 55 0.753 -1.465 0.186 1.00 0.00 C ATOM 778 O ALA A 55 0.556 -1.050 -0.957 1.00 0.00 O ATOM 779 CB ALA A 55 3.175 -1.964 0.554 1.00 0.00 C ATOM 0 H ALA A 55 1.322 -3.277 -1.462 1.00 0.00 H new ATOM 0 HA ALA A 55 1.528 -3.032 1.404 1.00 0.00 H new ATOM 0 HB1 ALA A 55 3.190 -1.201 1.333 1.00 0.00 H new ATOM 0 HB2 ALA A 55 3.889 -2.749 0.802 1.00 0.00 H new ATOM 0 HB3 ALA A 55 3.448 -1.514 -0.400 1.00 0.00 H new ATOM 785 N GLY A 56 0.100 -1.001 1.247 1.00 0.00 N ATOM 786 CA GLY A 56 -0.899 0.042 1.105 1.00 0.00 C ATOM 787 C GLY A 56 -0.319 1.430 1.297 1.00 0.00 C ATOM 788 O GLY A 56 -0.092 1.863 2.427 1.00 0.00 O ATOM 0 H GLY A 56 0.245 -1.329 2.202 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -1.352 -0.025 0.116 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -1.695 -0.120 1.832 1.00 0.00 H new ATOM 792 N ILE A 57 -0.079 2.127 0.192 1.00 0.00 N ATOM 793 CA ILE A 57 0.478 3.474 0.243 1.00 0.00 C ATOM 794 C ILE A 57 -0.612 4.526 0.076 1.00 0.00 C ATOM 795 O ILE A 57 -1.668 4.255 -0.497 1.00 0.00 O ATOM 796 CB ILE A 57 1.549 3.682 -0.844 1.00 0.00 C ATOM 797 CG1 ILE A 57 2.571 2.545 -0.811 1.00 0.00 C ATOM 798 CG2 ILE A 57 2.238 5.026 -0.660 1.00 0.00 C ATOM 799 CD1 ILE A 57 3.300 2.349 -2.123 1.00 0.00 C ATOM 0 H ILE A 57 -0.261 1.782 -0.750 1.00 0.00 H new ATOM 0 HA ILE A 57 0.941 3.587 1.223 1.00 0.00 H new ATOM 0 HB ILE A 57 1.060 3.677 -1.818 1.00 0.00 H new ATOM 0 HG12 ILE A 57 3.300 2.745 -0.026 1.00 0.00 H new ATOM 0 HG13 ILE A 57 2.063 1.618 -0.545 1.00 0.00 H new ATOM 0 HG21 ILE A 57 2.992 5.158 -1.436 1.00 0.00 H new ATOM 0 HG22 ILE A 57 1.501 5.826 -0.731 1.00 0.00 H new ATOM 0 HG23 ILE A 57 2.716 5.059 0.319 1.00 0.00 H new ATOM 0 HD11 ILE A 57 4.009 1.527 -2.026 1.00 0.00 H new ATOM 0 HD12 ILE A 57 2.580 2.117 -2.908 1.00 0.00 H new ATOM 0 HD13 ILE A 57 3.837 3.262 -2.381 1.00 0.00 H new ATOM 811 N GLU A 58 -0.351 5.728 0.578 1.00 0.00 N ATOM 812 CA GLU A 58 -1.310 6.823 0.484 1.00 0.00 C ATOM 813 C GLU A 58 -0.726 7.991 -0.304 1.00 0.00 C ATOM 814 O GLU A 58 0.359 8.483 0.008 1.00 0.00 O ATOM 815 CB GLU A 58 -1.722 7.289 1.881 1.00 0.00 C ATOM 816 CG GLU A 58 -3.076 7.980 1.917 1.00 0.00 C ATOM 817 CD GLU A 58 -3.070 9.230 2.776 1.00 0.00 C ATOM 818 OE1 GLU A 58 -2.909 9.101 4.009 1.00 0.00 O ATOM 819 OE2 GLU A 58 -3.227 10.336 2.219 1.00 0.00 O ATOM 0 H GLU A 58 0.518 5.969 1.055 1.00 0.00 H new ATOM 0 HA GLU A 58 -2.191 6.457 -0.043 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -1.744 6.429 2.550 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -0.964 7.972 2.265 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -3.373 8.243 0.902 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -3.824 7.285 2.298 1.00 0.00 H new ATOM 826 N LEU A 59 -1.452 8.431 -1.325 1.00 0.00 N ATOM 827 CA LEU A 59 -1.006 9.542 -2.158 1.00 0.00 C ATOM 828 C LEU A 59 -1.582 10.863 -1.658 1.00 0.00 C ATOM 829 O LEU A 59 -2.743 10.933 -1.257 1.00 0.00 O ATOM 830 CB LEU A 59 -1.416 9.314 -3.614 1.00 0.00 C ATOM 831 CG LEU A 59 -1.141 7.908 -4.151 1.00 0.00 C ATOM 832 CD1 LEU A 59 -2.168 7.530 -5.206 1.00 0.00 C ATOM 833 CD2 LEU A 59 0.268 7.823 -4.720 1.00 0.00 C ATOM 0 H LEU A 59 -2.352 8.036 -1.596 1.00 0.00 H new ATOM 0 HA LEU A 59 0.081 9.593 -2.098 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -2.481 9.522 -3.712 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -0.891 10.035 -4.241 1.00 0.00 H new ATOM 0 HG LEU A 59 -1.222 7.201 -3.326 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -1.957 6.527 -5.577 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -3.165 7.552 -4.767 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -2.119 8.240 -6.032 1.00 0.00 H new ATOM 0 HD21 LEU A 59 0.448 6.816 -5.098 1.00 0.00 H new ATOM 0 HD22 LEU A 59 0.376 8.541 -5.533 1.00 0.00 H new ATOM 0 HD23 LEU A 59 0.991 8.051 -3.937 1.00 0.00 H new ATOM 845 N ASP A 60 -0.762 11.908 -1.684 1.00 0.00 N ATOM 846 CA ASP A 60 -1.190 13.227 -1.234 1.00 0.00 C ATOM 847 C ASP A 60 -2.313 13.764 -2.116 1.00 0.00 C ATOM 848 O ASP A 60 -3.179 14.505 -1.652 1.00 0.00 O ATOM 849 CB ASP A 60 -0.008 14.201 -1.242 1.00 0.00 C ATOM 850 CG ASP A 60 0.002 15.106 -0.026 1.00 0.00 C ATOM 851 OD1 ASP A 60 -1.092 15.446 0.471 1.00 0.00 O ATOM 852 OD2 ASP A 60 1.105 15.477 0.429 1.00 0.00 O ATOM 0 H ASP A 60 0.203 11.867 -2.012 1.00 0.00 H new ATOM 0 HA ASP A 60 -1.566 13.132 -0.215 1.00 0.00 H new ATOM 0 HB2 ASP A 60 0.924 13.637 -1.280 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -0.049 14.810 -2.145 1.00 0.00 H new ATOM 857 N GLU A 61 -2.291 13.384 -3.389 1.00 0.00 N ATOM 858 CA GLU A 61 -3.308 13.826 -4.337 1.00 0.00 C ATOM 859 C GLU A 61 -4.200 12.661 -4.759 1.00 0.00 C ATOM 860 O GLU A 61 -3.784 11.503 -4.718 1.00 0.00 O ATOM 861 CB GLU A 61 -2.648 14.451 -5.568 1.00 0.00 C ATOM 862 CG GLU A 61 -1.724 15.612 -5.239 1.00 0.00 C ATOM 863 CD GLU A 61 -1.728 16.682 -6.312 1.00 0.00 C ATOM 864 OE1 GLU A 61 -2.811 16.965 -6.865 1.00 0.00 O ATOM 865 OE2 GLU A 61 -0.647 17.238 -6.601 1.00 0.00 O ATOM 0 H GLU A 61 -1.580 12.771 -3.788 1.00 0.00 H new ATOM 0 HA GLU A 61 -3.928 14.576 -3.846 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -2.080 13.684 -6.095 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -3.425 14.797 -6.250 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -2.026 16.054 -4.289 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -0.709 15.238 -5.108 1.00 0.00 H new ATOM 872 N PRO A 62 -5.445 12.954 -5.174 1.00 0.00 N ATOM 873 CA PRO A 62 -6.396 11.923 -5.605 1.00 0.00 C ATOM 874 C PRO A 62 -5.951 11.227 -6.887 1.00 0.00 C ATOM 875 O PRO A 62 -6.321 11.635 -7.988 1.00 0.00 O ATOM 876 CB PRO A 62 -7.692 12.704 -5.842 1.00 0.00 C ATOM 877 CG PRO A 62 -7.254 14.106 -6.092 1.00 0.00 C ATOM 878 CD PRO A 62 -6.022 14.308 -5.256 1.00 0.00 C ATOM 0 HA PRO A 62 -6.495 11.127 -4.867 1.00 0.00 H new ATOM 0 HB2 PRO A 62 -8.244 12.305 -6.693 1.00 0.00 H new ATOM 0 HB3 PRO A 62 -8.353 12.645 -4.977 1.00 0.00 H new ATOM 0 HG2 PRO A 62 -7.039 14.266 -7.149 1.00 0.00 H new ATOM 0 HG3 PRO A 62 -8.035 14.814 -5.815 1.00 0.00 H new ATOM 0 HD2 PRO A 62 -5.332 15.012 -5.720 1.00 0.00 H new ATOM 0 HD3 PRO A 62 -6.265 14.703 -4.269 1.00 0.00 H new ATOM 886 N GLU A 63 -5.156 10.173 -6.736 1.00 0.00 N ATOM 887 CA GLU A 63 -4.661 9.419 -7.882 1.00 0.00 C ATOM 888 C GLU A 63 -4.512 7.940 -7.537 1.00 0.00 C ATOM 889 O GLU A 63 -3.625 7.259 -8.050 1.00 0.00 O ATOM 890 CB GLU A 63 -3.317 9.983 -8.347 1.00 0.00 C ATOM 891 CG GLU A 63 -3.440 11.284 -9.124 1.00 0.00 C ATOM 892 CD GLU A 63 -2.138 12.060 -9.170 1.00 0.00 C ATOM 893 OE1 GLU A 63 -1.067 11.420 -9.248 1.00 0.00 O ATOM 894 OE2 GLU A 63 -2.188 13.307 -9.130 1.00 0.00 O ATOM 0 H GLU A 63 -4.841 9.822 -5.832 1.00 0.00 H new ATOM 0 HA GLU A 63 -5.387 9.514 -8.689 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -2.681 10.147 -7.477 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -2.818 9.242 -8.972 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -3.765 11.066 -10.141 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -4.212 11.904 -8.668 1.00 0.00 H new ATOM 901 N GLY A 64 -5.386 7.451 -6.664 1.00 0.00 N ATOM 902 CA GLY A 64 -5.336 6.056 -6.265 1.00 0.00 C ATOM 903 C GLY A 64 -6.529 5.266 -6.765 1.00 0.00 C ATOM 904 O GLY A 64 -7.493 5.839 -7.272 1.00 0.00 O ATOM 0 H GLY A 64 -6.128 7.996 -6.225 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -4.420 5.605 -6.647 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -5.293 5.994 -5.178 1.00 0.00 H new ATOM 908 N LYS A 65 -6.465 3.946 -6.621 1.00 0.00 N ATOM 909 CA LYS A 65 -7.549 3.076 -7.062 1.00 0.00 C ATOM 910 C LYS A 65 -8.146 2.310 -5.885 1.00 0.00 C ATOM 911 O LYS A 65 -8.632 1.190 -6.044 1.00 0.00 O ATOM 912 CB LYS A 65 -7.044 2.093 -8.121 1.00 0.00 C ATOM 913 CG LYS A 65 -6.625 2.762 -9.420 1.00 0.00 C ATOM 914 CD LYS A 65 -5.124 2.995 -9.467 1.00 0.00 C ATOM 915 CE LYS A 65 -4.786 4.311 -10.148 1.00 0.00 C ATOM 916 NZ LYS A 65 -4.398 4.116 -11.572 1.00 0.00 N ATOM 0 H LYS A 65 -5.674 3.456 -6.203 1.00 0.00 H new ATOM 0 HA LYS A 65 -8.328 3.701 -7.498 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -6.196 1.540 -7.717 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -7.828 1.365 -8.333 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -6.924 2.140 -10.264 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -7.146 3.714 -9.525 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -4.723 2.995 -8.454 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -4.644 2.174 -10.000 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -5.646 4.979 -10.094 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -3.971 4.798 -9.613 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -4.175 5.037 -12.000 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -3.562 3.499 -11.623 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -5.185 3.675 -12.089 1.00 0.00 H new ATOM 930 N ASN A 66 -8.107 2.920 -4.706 1.00 0.00 N ATOM 931 CA ASN A 66 -8.643 2.295 -3.504 1.00 0.00 C ATOM 932 C ASN A 66 -9.009 3.345 -2.460 1.00 0.00 C ATOM 933 O ASN A 66 -8.679 4.523 -2.609 1.00 0.00 O ATOM 934 CB ASN A 66 -7.629 1.309 -2.919 1.00 0.00 C ATOM 935 CG ASN A 66 -7.894 -0.119 -3.353 1.00 0.00 C ATOM 936 OD1 ASN A 66 -9.014 -0.616 -3.239 1.00 0.00 O ATOM 937 ND2 ASN A 66 -6.862 -0.787 -3.855 1.00 0.00 N ATOM 0 H ASN A 66 -7.709 3.847 -4.557 1.00 0.00 H new ATOM 0 HA ASN A 66 -9.548 1.753 -3.781 1.00 0.00 H new ATOM 0 HB2 ASN A 66 -6.625 1.599 -3.228 1.00 0.00 H new ATOM 0 HB3 ASN A 66 -7.657 1.366 -1.831 1.00 0.00 H new ATOM 0 HD21 ASN A 66 -6.981 -1.752 -4.164 1.00 0.00 H new ATOM 0 HD22 ASN A 66 -5.951 -0.335 -3.931 1.00 0.00 H new ATOM 944 N ASN A 67 -9.694 2.914 -1.406 1.00 0.00 N ATOM 945 CA ASN A 67 -10.106 3.817 -0.339 1.00 0.00 C ATOM 946 C ASN A 67 -9.540 3.366 1.003 1.00 0.00 C ATOM 947 O ASN A 67 -10.158 3.571 2.049 1.00 0.00 O ATOM 948 CB ASN A 67 -11.632 3.890 -0.264 1.00 0.00 C ATOM 949 CG ASN A 67 -12.264 2.533 -0.028 1.00 0.00 C ATOM 950 OD1 ASN A 67 -12.347 2.063 1.106 1.00 0.00 O ATOM 951 ND2 ASN A 67 -12.713 1.894 -1.102 1.00 0.00 N ATOM 0 H ASN A 67 -9.976 1.943 -1.268 1.00 0.00 H new ATOM 0 HA ASN A 67 -9.713 4.809 -0.564 1.00 0.00 H new ATOM 0 HB2 ASN A 67 -11.922 4.567 0.539 1.00 0.00 H new ATOM 0 HB3 ASN A 67 -12.019 4.312 -1.192 1.00 0.00 H new ATOM 0 HD21 ASN A 67 -13.147 0.976 -1.005 1.00 0.00 H new ATOM 0 HD22 ASN A 67 -12.624 2.321 -2.024 1.00 0.00 H new ATOM 958 N GLY A 68 -8.362 2.752 0.967 1.00 0.00 N ATOM 959 CA GLY A 68 -7.733 2.281 2.188 1.00 0.00 C ATOM 960 C GLY A 68 -7.985 0.807 2.439 1.00 0.00 C ATOM 961 O GLY A 68 -7.161 0.126 3.048 1.00 0.00 O ATOM 0 H GLY A 68 -7.831 2.572 0.115 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -6.659 2.458 2.132 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -8.108 2.859 3.033 1.00 0.00 H new ATOM 965 N SER A 69 -9.126 0.314 1.968 1.00 0.00 N ATOM 966 CA SER A 69 -9.484 -1.088 2.146 1.00 0.00 C ATOM 967 C SER A 69 -9.868 -1.725 0.814 1.00 0.00 C ATOM 968 O SER A 69 -10.304 -1.039 -0.110 1.00 0.00 O ATOM 969 CB SER A 69 -10.640 -1.220 3.138 1.00 0.00 C ATOM 970 OG SER A 69 -11.537 -0.128 3.025 1.00 0.00 O ATOM 0 H SER A 69 -9.818 0.865 1.460 1.00 0.00 H new ATOM 0 HA SER A 69 -8.613 -1.611 2.542 1.00 0.00 H new ATOM 0 HB2 SER A 69 -11.174 -2.153 2.957 1.00 0.00 H new ATOM 0 HB3 SER A 69 -10.248 -1.269 4.154 1.00 0.00 H new ATOM 0 HG SER A 69 -12.268 -0.237 3.669 1.00 0.00 H new ATOM 976 N VAL A 70 -9.700 -3.040 0.723 1.00 0.00 N ATOM 977 CA VAL A 70 -10.029 -3.770 -0.496 1.00 0.00 C ATOM 978 C VAL A 70 -11.080 -4.842 -0.228 1.00 0.00 C ATOM 979 O VAL A 70 -10.825 -5.810 0.490 1.00 0.00 O ATOM 980 CB VAL A 70 -8.781 -4.434 -1.107 1.00 0.00 C ATOM 981 CG1 VAL A 70 -9.102 -5.016 -2.476 1.00 0.00 C ATOM 982 CG2 VAL A 70 -7.636 -3.437 -1.199 1.00 0.00 C ATOM 0 H VAL A 70 -9.338 -3.622 1.478 1.00 0.00 H new ATOM 0 HA VAL A 70 -10.427 -3.042 -1.203 1.00 0.00 H new ATOM 0 HB VAL A 70 -8.470 -5.250 -0.454 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -8.208 -5.481 -2.892 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -9.888 -5.764 -2.378 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -9.440 -4.220 -3.140 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -6.763 -3.925 -1.633 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -7.934 -2.598 -1.828 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -7.390 -3.073 -0.202 1.00 0.00 H new ATOM 992 N GLY A 71 -12.262 -4.664 -0.808 1.00 0.00 N ATOM 993 CA GLY A 71 -13.334 -5.623 -0.619 1.00 0.00 C ATOM 994 C GLY A 71 -13.726 -5.775 0.837 1.00 0.00 C ATOM 995 O GLY A 71 -14.186 -4.821 1.465 1.00 0.00 O ATOM 0 H GLY A 71 -12.497 -3.872 -1.406 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -14.204 -5.309 -1.195 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -13.024 -6.592 -1.012 1.00 0.00 H new ATOM 999 N ARG A 72 -13.546 -6.977 1.375 1.00 0.00 N ATOM 1000 CA ARG A 72 -13.885 -7.250 2.767 1.00 0.00 C ATOM 1001 C ARG A 72 -12.633 -7.265 3.639 1.00 0.00 C ATOM 1002 O ARG A 72 -12.575 -7.971 4.646 1.00 0.00 O ATOM 1003 CB ARG A 72 -14.617 -8.589 2.883 1.00 0.00 C ATOM 1004 CG ARG A 72 -13.809 -9.771 2.369 1.00 0.00 C ATOM 1005 CD ARG A 72 -14.605 -11.066 2.436 1.00 0.00 C ATOM 1006 NE ARG A 72 -15.977 -10.894 1.963 1.00 0.00 N ATOM 1007 CZ ARG A 72 -16.994 -10.528 2.741 1.00 0.00 C ATOM 1008 NH1 ARG A 72 -16.801 -10.286 4.032 1.00 0.00 N ATOM 1009 NH2 ARG A 72 -18.209 -10.401 2.225 1.00 0.00 N ATOM 0 H ARG A 72 -13.167 -7.777 0.868 1.00 0.00 H new ATOM 0 HA ARG A 72 -14.541 -6.453 3.118 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -14.876 -8.763 3.928 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -15.553 -8.531 2.328 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -13.504 -9.584 1.339 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -12.897 -9.873 2.958 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -14.108 -11.828 1.835 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -14.619 -11.429 3.464 1.00 0.00 H new ATOM 0 HE ARG A 72 -16.168 -11.065 0.976 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -15.869 -10.380 4.435 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -17.585 -10.006 4.621 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -18.364 -10.584 1.233 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -18.989 -10.121 2.820 1.00 0.00 H new ATOM 1023 N VAL A 73 -11.633 -6.483 3.245 1.00 0.00 N ATOM 1024 CA VAL A 73 -10.383 -6.407 3.991 1.00 0.00 C ATOM 1025 C VAL A 73 -9.936 -4.960 4.169 1.00 0.00 C ATOM 1026 O VAL A 73 -10.159 -4.119 3.297 1.00 0.00 O ATOM 1027 CB VAL A 73 -9.262 -7.196 3.291 1.00 0.00 C ATOM 1028 CG1 VAL A 73 -8.028 -7.274 4.176 1.00 0.00 C ATOM 1029 CG2 VAL A 73 -9.744 -8.588 2.911 1.00 0.00 C ATOM 0 H VAL A 73 -11.664 -5.893 2.413 1.00 0.00 H new ATOM 0 HA VAL A 73 -10.572 -6.849 4.969 1.00 0.00 H new ATOM 0 HB VAL A 73 -8.991 -6.669 2.376 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -7.247 -7.836 3.663 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -7.670 -6.267 4.390 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -8.281 -7.775 5.110 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -8.937 -9.130 2.417 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -10.046 -9.126 3.809 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -10.594 -8.506 2.234 1.00 0.00 H new ATOM 1039 N GLN A 74 -9.305 -4.677 5.304 1.00 0.00 N ATOM 1040 CA GLN A 74 -8.825 -3.330 5.596 1.00 0.00 C ATOM 1041 C GLN A 74 -7.325 -3.334 5.868 1.00 0.00 C ATOM 1042 O GLN A 74 -6.800 -4.256 6.493 1.00 0.00 O ATOM 1043 CB GLN A 74 -9.572 -2.751 6.799 1.00 0.00 C ATOM 1044 CG GLN A 74 -9.177 -1.321 7.129 1.00 0.00 C ATOM 1045 CD GLN A 74 -10.096 -0.300 6.488 1.00 0.00 C ATOM 1046 OE1 GLN A 74 -11.318 -0.435 6.529 1.00 0.00 O ATOM 1047 NE2 GLN A 74 -9.508 0.730 5.889 1.00 0.00 N ATOM 0 H GLN A 74 -9.114 -5.361 6.036 1.00 0.00 H new ATOM 0 HA GLN A 74 -9.015 -2.706 4.723 1.00 0.00 H new ATOM 0 HB2 GLN A 74 -10.644 -2.787 6.603 1.00 0.00 H new ATOM 0 HB3 GLN A 74 -9.386 -3.381 7.669 1.00 0.00 H new ATOM 0 HG2 GLN A 74 -9.187 -1.185 8.210 1.00 0.00 H new ATOM 0 HG3 GLN A 74 -8.154 -1.144 6.795 1.00 0.00 H new ATOM 0 HE21 GLN A 74 -8.491 0.801 5.879 1.00 0.00 H new ATOM 0 HE22 GLN A 74 -10.074 1.449 5.439 1.00 0.00 H new ATOM 1056 N TYR A 75 -6.640 -2.298 5.395 1.00 0.00 N ATOM 1057 CA TYR A 75 -5.199 -2.183 5.587 1.00 0.00 C ATOM 1058 C TYR A 75 -4.840 -0.840 6.214 1.00 0.00 C ATOM 1059 O TYR A 75 -4.051 -0.775 7.157 1.00 0.00 O ATOM 1060 CB TYR A 75 -4.471 -2.346 4.252 1.00 0.00 C ATOM 1061 CG TYR A 75 -4.886 -3.581 3.483 1.00 0.00 C ATOM 1062 CD1 TYR A 75 -6.115 -3.642 2.840 1.00 0.00 C ATOM 1063 CD2 TYR A 75 -4.045 -4.685 3.400 1.00 0.00 C ATOM 1064 CE1 TYR A 75 -6.497 -4.769 2.137 1.00 0.00 C ATOM 1065 CE2 TYR A 75 -4.420 -5.815 2.698 1.00 0.00 C ATOM 1066 CZ TYR A 75 -5.647 -5.852 2.069 1.00 0.00 C ATOM 1067 OH TYR A 75 -6.023 -6.976 1.370 1.00 0.00 O ATOM 0 H TYR A 75 -7.059 -1.526 4.876 1.00 0.00 H new ATOM 0 HA TYR A 75 -4.883 -2.976 6.264 1.00 0.00 H new ATOM 0 HB2 TYR A 75 -4.656 -1.466 3.637 1.00 0.00 H new ATOM 0 HB3 TYR A 75 -3.397 -2.386 4.436 1.00 0.00 H new ATOM 0 HD1 TYR A 75 -6.783 -2.795 2.890 1.00 0.00 H new ATOM 0 HD2 TYR A 75 -3.084 -4.659 3.892 1.00 0.00 H new ATOM 0 HE1 TYR A 75 -7.457 -4.801 1.643 1.00 0.00 H new ATOM 0 HE2 TYR A 75 -3.756 -6.665 2.642 1.00 0.00 H new ATOM 0 HH TYR A 75 -6.047 -6.773 0.412 1.00 0.00 H new ATOM 1077 N PHE A 76 -5.423 0.231 5.684 1.00 0.00 N ATOM 1078 CA PHE A 76 -5.164 1.573 6.192 1.00 0.00 C ATOM 1079 C PHE A 76 -6.350 2.494 5.925 1.00 0.00 C ATOM 1080 O PHE A 76 -7.061 2.335 4.933 1.00 0.00 O ATOM 1081 CB PHE A 76 -3.901 2.149 5.551 1.00 0.00 C ATOM 1082 CG PHE A 76 -4.011 2.331 4.064 1.00 0.00 C ATOM 1083 CD1 PHE A 76 -3.890 1.248 3.209 1.00 0.00 C ATOM 1084 CD2 PHE A 76 -4.234 3.587 3.522 1.00 0.00 C ATOM 1085 CE1 PHE A 76 -3.991 1.413 1.841 1.00 0.00 C ATOM 1086 CE2 PHE A 76 -4.336 3.758 2.154 1.00 0.00 C ATOM 1087 CZ PHE A 76 -4.214 2.670 1.313 1.00 0.00 C ATOM 0 H PHE A 76 -6.078 0.195 4.903 1.00 0.00 H new ATOM 0 HA PHE A 76 -5.016 1.504 7.270 1.00 0.00 H new ATOM 0 HB2 PHE A 76 -3.677 3.111 6.011 1.00 0.00 H new ATOM 0 HB3 PHE A 76 -3.061 1.489 5.767 1.00 0.00 H new ATOM 0 HD1 PHE A 76 -3.715 0.263 3.616 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -4.329 4.441 4.176 1.00 0.00 H new ATOM 0 HE1 PHE A 76 -3.896 0.560 1.185 1.00 0.00 H new ATOM 0 HE2 PHE A 76 -4.511 4.742 1.744 1.00 0.00 H new ATOM 0 HZ PHE A 76 -4.293 2.801 0.244 1.00 0.00 H new ATOM 1097 N LYS A 77 -6.557 3.458 6.817 1.00 0.00 N ATOM 1098 CA LYS A 77 -7.657 4.405 6.676 1.00 0.00 C ATOM 1099 C LYS A 77 -7.222 5.629 5.875 1.00 0.00 C ATOM 1100 O LYS A 77 -6.169 6.211 6.137 1.00 0.00 O ATOM 1101 CB LYS A 77 -8.168 4.832 8.055 1.00 0.00 C ATOM 1102 CG LYS A 77 -9.542 4.278 8.394 1.00 0.00 C ATOM 1103 CD LYS A 77 -9.554 2.758 8.359 1.00 0.00 C ATOM 1104 CE LYS A 77 -9.324 2.167 9.740 1.00 0.00 C ATOM 1105 NZ LYS A 77 -8.424 0.981 9.694 1.00 0.00 N ATOM 0 H LYS A 77 -5.978 3.604 7.644 1.00 0.00 H new ATOM 0 HA LYS A 77 -8.465 3.911 6.135 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -7.457 4.506 8.814 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -8.204 5.921 8.099 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -9.840 4.623 9.384 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -10.276 4.665 7.687 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -10.510 2.410 7.968 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -8.782 2.403 7.677 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -8.891 2.926 10.392 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -10.281 1.880 10.176 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -8.860 0.194 10.216 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -8.272 0.699 8.705 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -7.511 1.221 10.130 1.00 0.00 H new ATOM 1119 N CYS A 78 -8.038 6.012 4.900 1.00 0.00 N ATOM 1120 CA CYS A 78 -7.737 7.166 4.061 1.00 0.00 C ATOM 1121 C CYS A 78 -8.981 7.633 3.313 1.00 0.00 C ATOM 1122 O CYS A 78 -10.079 7.119 3.529 1.00 0.00 O ATOM 1123 CB CYS A 78 -6.628 6.824 3.065 1.00 0.00 C ATOM 1124 SG CYS A 78 -7.071 5.530 1.883 1.00 0.00 S ATOM 0 H CYS A 78 -8.913 5.541 4.671 1.00 0.00 H new ATOM 0 HA CYS A 78 -7.398 7.975 4.708 1.00 0.00 H new ATOM 0 HB2 CYS A 78 -6.357 7.726 2.516 1.00 0.00 H new ATOM 0 HB3 CYS A 78 -5.743 6.509 3.617 1.00 0.00 H new ATOM 0 HG CYS A 78 -6.200 4.567 1.947 1.00 0.00 H new ATOM 1130 N ALA A 79 -8.802 8.611 2.431 1.00 0.00 N ATOM 1131 CA ALA A 79 -9.909 9.148 1.649 1.00 0.00 C ATOM 1132 C ALA A 79 -10.188 8.282 0.424 1.00 0.00 C ATOM 1133 O ALA A 79 -9.371 7.440 0.050 1.00 0.00 O ATOM 1134 CB ALA A 79 -9.613 10.581 1.230 1.00 0.00 C ATOM 0 H ALA A 79 -7.900 9.048 2.240 1.00 0.00 H new ATOM 0 HA ALA A 79 -10.801 9.142 2.276 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -10.448 10.969 0.647 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -9.472 11.198 2.118 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -8.706 10.603 0.625 1.00 0.00 H new ATOM 1140 N PRO A 80 -11.351 8.478 -0.220 1.00 0.00 N ATOM 1141 CA PRO A 80 -11.735 7.710 -1.410 1.00 0.00 C ATOM 1142 C PRO A 80 -10.877 8.056 -2.622 1.00 0.00 C ATOM 1143 O PRO A 80 -10.596 9.226 -2.883 1.00 0.00 O ATOM 1144 CB PRO A 80 -13.190 8.121 -1.648 1.00 0.00 C ATOM 1145 CG PRO A 80 -13.309 9.470 -1.027 1.00 0.00 C ATOM 1146 CD PRO A 80 -12.382 9.463 0.158 1.00 0.00 C ATOM 0 HA PRO A 80 -11.602 6.638 -1.263 1.00 0.00 H new ATOM 0 HB2 PRO A 80 -13.423 8.153 -2.712 1.00 0.00 H new ATOM 0 HB3 PRO A 80 -13.881 7.413 -1.191 1.00 0.00 H new ATOM 0 HG2 PRO A 80 -13.032 10.251 -1.735 1.00 0.00 H new ATOM 0 HG3 PRO A 80 -14.335 9.669 -0.719 1.00 0.00 H new ATOM 0 HD2 PRO A 80 -11.950 10.448 0.336 1.00 0.00 H new ATOM 0 HD3 PRO A 80 -12.900 9.172 1.072 1.00 0.00 H new ATOM 1154 N LYS A 81 -10.465 7.032 -3.362 1.00 0.00 N ATOM 1155 CA LYS A 81 -9.639 7.226 -4.548 1.00 0.00 C ATOM 1156 C LYS A 81 -8.331 7.927 -4.193 1.00 0.00 C ATOM 1157 O LYS A 81 -7.769 8.661 -5.005 1.00 0.00 O ATOM 1158 CB LYS A 81 -10.400 8.042 -5.595 1.00 0.00 C ATOM 1159 CG LYS A 81 -11.707 7.402 -6.032 1.00 0.00 C ATOM 1160 CD LYS A 81 -12.240 8.037 -7.306 1.00 0.00 C ATOM 1161 CE LYS A 81 -13.760 8.043 -7.333 1.00 0.00 C ATOM 1162 NZ LYS A 81 -14.308 6.797 -7.936 1.00 0.00 N ATOM 0 H LYS A 81 -10.690 6.058 -3.161 1.00 0.00 H new ATOM 0 HA LYS A 81 -9.403 6.245 -4.961 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -10.607 9.033 -5.191 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -9.763 8.181 -6.469 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -11.555 6.335 -6.192 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -12.446 7.503 -5.237 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -11.870 9.059 -7.387 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -11.862 7.492 -8.171 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -14.141 8.153 -6.318 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -14.110 8.906 -7.900 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -15.347 6.839 -7.936 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -13.965 6.704 -8.913 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -13.995 5.976 -7.380 1.00 0.00 H new ATOM 1176 N TYR A 82 -7.852 7.694 -2.975 1.00 0.00 N ATOM 1177 CA TYR A 82 -6.610 8.303 -2.513 1.00 0.00 C ATOM 1178 C TYR A 82 -5.553 7.239 -2.236 1.00 0.00 C ATOM 1179 O TYR A 82 -4.372 7.431 -2.523 1.00 0.00 O ATOM 1180 CB TYR A 82 -6.862 9.131 -1.251 1.00 0.00 C ATOM 1181 CG TYR A 82 -7.057 10.606 -1.522 1.00 0.00 C ATOM 1182 CD1 TYR A 82 -5.970 11.469 -1.587 1.00 0.00 C ATOM 1183 CD2 TYR A 82 -8.326 11.135 -1.713 1.00 0.00 C ATOM 1184 CE1 TYR A 82 -6.143 12.817 -1.834 1.00 0.00 C ATOM 1185 CE2 TYR A 82 -8.508 12.482 -1.962 1.00 0.00 C ATOM 1186 CZ TYR A 82 -7.414 13.319 -2.021 1.00 0.00 C ATOM 1187 OH TYR A 82 -7.591 14.661 -2.267 1.00 0.00 O ATOM 0 H TYR A 82 -8.305 7.088 -2.291 1.00 0.00 H new ATOM 0 HA TYR A 82 -6.241 8.959 -3.301 1.00 0.00 H new ATOM 0 HB2 TYR A 82 -7.745 8.744 -0.743 1.00 0.00 H new ATOM 0 HB3 TYR A 82 -6.021 9.004 -0.569 1.00 0.00 H new ATOM 0 HD1 TYR A 82 -4.973 11.079 -1.442 1.00 0.00 H new ATOM 0 HD2 TYR A 82 -9.186 10.483 -1.666 1.00 0.00 H new ATOM 0 HE1 TYR A 82 -5.287 13.474 -1.880 1.00 0.00 H new ATOM 0 HE2 TYR A 82 -9.502 12.877 -2.110 1.00 0.00 H new ATOM 0 HH TYR A 82 -8.546 14.850 -2.376 1.00 0.00 H new ATOM 1197 N GLY A 83 -5.986 6.113 -1.674 1.00 0.00 N ATOM 1198 CA GLY A 83 -5.065 5.035 -1.368 1.00 0.00 C ATOM 1199 C GLY A 83 -4.761 4.170 -2.576 1.00 0.00 C ATOM 1200 O GLY A 83 -5.525 4.148 -3.540 1.00 0.00 O ATOM 0 H GLY A 83 -6.958 5.929 -1.426 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -4.136 5.454 -0.982 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -5.487 4.414 -0.578 1.00 0.00 H new ATOM 1204 N ILE A 84 -3.640 3.457 -2.523 1.00 0.00 N ATOM 1205 CA ILE A 84 -3.236 2.587 -3.620 1.00 0.00 C ATOM 1206 C ILE A 84 -2.342 1.455 -3.121 1.00 0.00 C ATOM 1207 O ILE A 84 -1.681 1.581 -2.091 1.00 0.00 O ATOM 1208 CB ILE A 84 -2.493 3.377 -4.717 1.00 0.00 C ATOM 1209 CG1 ILE A 84 -2.164 2.468 -5.902 1.00 0.00 C ATOM 1210 CG2 ILE A 84 -1.224 4.003 -4.154 1.00 0.00 C ATOM 1211 CD1 ILE A 84 -1.834 3.225 -7.171 1.00 0.00 C ATOM 0 H ILE A 84 -2.996 3.465 -1.732 1.00 0.00 H new ATOM 0 HA ILE A 84 -4.146 2.164 -4.045 1.00 0.00 H new ATOM 0 HB ILE A 84 -3.145 4.177 -5.069 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -1.319 1.832 -5.638 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -3.012 1.810 -6.091 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -0.712 4.557 -4.941 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -1.483 4.682 -3.342 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -0.568 3.219 -3.776 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -1.611 2.517 -7.969 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -2.686 3.841 -7.459 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -0.967 3.863 -6.999 1.00 0.00 H new ATOM 1223 N PHE A 85 -2.328 0.349 -3.858 1.00 0.00 N ATOM 1224 CA PHE A 85 -1.516 -0.805 -3.490 1.00 0.00 C ATOM 1225 C PHE A 85 -0.471 -1.101 -4.561 1.00 0.00 C ATOM 1226 O PHE A 85 -0.745 -0.995 -5.756 1.00 0.00 O ATOM 1227 CB PHE A 85 -2.403 -2.032 -3.275 1.00 0.00 C ATOM 1228 CG PHE A 85 -3.276 -1.934 -2.057 1.00 0.00 C ATOM 1229 CD1 PHE A 85 -4.218 -0.924 -1.943 1.00 0.00 C ATOM 1230 CD2 PHE A 85 -3.156 -2.853 -1.027 1.00 0.00 C ATOM 1231 CE1 PHE A 85 -5.023 -0.832 -0.824 1.00 0.00 C ATOM 1232 CE2 PHE A 85 -3.958 -2.766 0.095 1.00 0.00 C ATOM 1233 CZ PHE A 85 -4.893 -1.753 0.197 1.00 0.00 C ATOM 0 H PHE A 85 -2.870 0.228 -4.714 1.00 0.00 H new ATOM 0 HA PHE A 85 -0.999 -0.571 -2.559 1.00 0.00 H new ATOM 0 HB2 PHE A 85 -3.033 -2.174 -4.153 1.00 0.00 H new ATOM 0 HB3 PHE A 85 -1.772 -2.916 -3.190 1.00 0.00 H new ATOM 0 HD1 PHE A 85 -4.324 -0.201 -2.738 1.00 0.00 H new ATOM 0 HD2 PHE A 85 -2.427 -3.647 -1.102 1.00 0.00 H new ATOM 0 HE1 PHE A 85 -5.754 -0.040 -0.748 1.00 0.00 H new ATOM 0 HE2 PHE A 85 -3.854 -3.488 0.891 1.00 0.00 H new ATOM 0 HZ PHE A 85 -5.520 -1.682 1.073 1.00 0.00 H new ATOM 1243 N ALA A 86 0.727 -1.475 -4.123 1.00 0.00 N ATOM 1244 CA ALA A 86 1.815 -1.789 -5.041 1.00 0.00 C ATOM 1245 C ALA A 86 2.789 -2.785 -4.417 1.00 0.00 C ATOM 1246 O ALA A 86 2.988 -2.789 -3.202 1.00 0.00 O ATOM 1247 CB ALA A 86 2.543 -0.517 -5.451 1.00 0.00 C ATOM 0 H ALA A 86 0.969 -1.568 -3.136 1.00 0.00 H new ATOM 0 HA ALA A 86 1.387 -2.250 -5.931 1.00 0.00 H new ATOM 0 HB1 ALA A 86 3.353 -0.766 -6.137 1.00 0.00 H new ATOM 0 HB2 ALA A 86 1.845 0.159 -5.945 1.00 0.00 H new ATOM 0 HB3 ALA A 86 2.953 -0.031 -4.566 1.00 0.00 H new ATOM 1253 N PRO A 87 3.411 -3.646 -5.241 1.00 0.00 N ATOM 1254 CA PRO A 87 4.367 -4.649 -4.758 1.00 0.00 C ATOM 1255 C PRO A 87 5.520 -4.022 -3.984 1.00 0.00 C ATOM 1256 O PRO A 87 6.266 -3.202 -4.516 1.00 0.00 O ATOM 1257 CB PRO A 87 4.880 -5.311 -6.040 1.00 0.00 C ATOM 1258 CG PRO A 87 3.828 -5.045 -7.060 1.00 0.00 C ATOM 1259 CD PRO A 87 3.232 -3.714 -6.702 1.00 0.00 C ATOM 0 HA PRO A 87 3.902 -5.349 -4.063 1.00 0.00 H new ATOM 0 HB2 PRO A 87 5.839 -4.892 -6.344 1.00 0.00 H new ATOM 0 HB3 PRO A 87 5.031 -6.381 -5.898 1.00 0.00 H new ATOM 0 HG2 PRO A 87 4.253 -5.025 -8.063 1.00 0.00 H new ATOM 0 HG3 PRO A 87 3.069 -5.827 -7.051 1.00 0.00 H new ATOM 0 HD2 PRO A 87 3.743 -2.895 -7.209 1.00 0.00 H new ATOM 0 HD3 PRO A 87 2.180 -3.656 -6.982 1.00 0.00 H new ATOM 1267 N LEU A 88 5.659 -4.415 -2.716 1.00 0.00 N ATOM 1268 CA LEU A 88 6.724 -3.893 -1.867 1.00 0.00 C ATOM 1269 C LEU A 88 8.057 -3.978 -2.592 1.00 0.00 C ATOM 1270 O LEU A 88 8.825 -3.016 -2.627 1.00 0.00 O ATOM 1271 CB LEU A 88 6.789 -4.672 -0.551 1.00 0.00 C ATOM 1272 CG LEU A 88 7.321 -3.879 0.644 1.00 0.00 C ATOM 1273 CD1 LEU A 88 6.348 -2.774 1.025 1.00 0.00 C ATOM 1274 CD2 LEU A 88 7.571 -4.802 1.827 1.00 0.00 C ATOM 0 H LEU A 88 5.048 -5.091 -2.258 1.00 0.00 H new ATOM 0 HA LEU A 88 6.510 -2.848 -1.641 1.00 0.00 H new ATOM 0 HB2 LEU A 88 5.789 -5.035 -0.311 1.00 0.00 H new ATOM 0 HB3 LEU A 88 7.420 -5.549 -0.696 1.00 0.00 H new ATOM 0 HG LEU A 88 8.268 -3.420 0.360 1.00 0.00 H new ATOM 0 HD11 LEU A 88 6.742 -2.220 1.877 1.00 0.00 H new ATOM 0 HD12 LEU A 88 6.217 -2.097 0.181 1.00 0.00 H new ATOM 0 HD13 LEU A 88 5.386 -3.212 1.291 1.00 0.00 H new ATOM 0 HD21 LEU A 88 7.949 -4.221 2.668 1.00 0.00 H new ATOM 0 HD22 LEU A 88 6.638 -5.289 2.112 1.00 0.00 H new ATOM 0 HD23 LEU A 88 8.305 -5.559 1.549 1.00 0.00 H new ATOM 1286 N SER A 89 8.308 -5.136 -3.192 1.00 0.00 N ATOM 1287 CA SER A 89 9.533 -5.353 -3.946 1.00 0.00 C ATOM 1288 C SER A 89 9.664 -4.294 -5.033 1.00 0.00 C ATOM 1289 O SER A 89 10.766 -3.976 -5.478 1.00 0.00 O ATOM 1290 CB SER A 89 9.538 -6.750 -4.569 1.00 0.00 C ATOM 1291 OG SER A 89 10.860 -7.180 -4.847 1.00 0.00 O ATOM 0 H SER A 89 7.678 -5.938 -3.170 1.00 0.00 H new ATOM 0 HA SER A 89 10.382 -5.275 -3.267 1.00 0.00 H new ATOM 0 HB2 SER A 89 9.058 -7.456 -3.891 1.00 0.00 H new ATOM 0 HB3 SER A 89 8.953 -6.743 -5.489 1.00 0.00 H new ATOM 0 HG SER A 89 10.836 -8.076 -5.243 1.00 0.00 H new ATOM 1297 N LYS A 90 8.525 -3.737 -5.445 1.00 0.00 N ATOM 1298 CA LYS A 90 8.511 -2.699 -6.464 1.00 0.00 C ATOM 1299 C LYS A 90 8.543 -1.315 -5.822 1.00 0.00 C ATOM 1300 O LYS A 90 8.765 -0.312 -6.500 1.00 0.00 O ATOM 1301 CB LYS A 90 7.273 -2.835 -7.351 1.00 0.00 C ATOM 1302 CG LYS A 90 7.380 -3.948 -8.382 1.00 0.00 C ATOM 1303 CD LYS A 90 6.723 -3.557 -9.695 1.00 0.00 C ATOM 1304 CE LYS A 90 6.869 -4.653 -10.739 1.00 0.00 C ATOM 1305 NZ LYS A 90 6.121 -5.884 -10.360 1.00 0.00 N ATOM 0 H LYS A 90 7.604 -3.990 -5.087 1.00 0.00 H new ATOM 0 HA LYS A 90 9.401 -2.818 -7.082 1.00 0.00 H new ATOM 0 HB2 LYS A 90 6.403 -3.018 -6.720 1.00 0.00 H new ATOM 0 HB3 LYS A 90 7.100 -1.890 -7.866 1.00 0.00 H new ATOM 0 HG2 LYS A 90 8.430 -4.185 -8.556 1.00 0.00 H new ATOM 0 HG3 LYS A 90 6.910 -4.851 -7.994 1.00 0.00 H new ATOM 0 HD2 LYS A 90 5.666 -3.351 -9.527 1.00 0.00 H new ATOM 0 HD3 LYS A 90 7.172 -2.636 -10.068 1.00 0.00 H new ATOM 0 HE2 LYS A 90 6.506 -4.289 -11.700 1.00 0.00 H new ATOM 0 HE3 LYS A 90 7.924 -4.894 -10.867 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 6.118 -6.549 -11.160 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 6.580 -6.331 -9.541 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 5.142 -5.634 -10.115 1.00 0.00 H new ATOM 1319 N ILE A 91 8.320 -1.266 -4.509 1.00 0.00 N ATOM 1320 CA ILE A 91 8.327 -0.001 -3.783 1.00 0.00 C ATOM 1321 C ILE A 91 9.633 0.184 -3.017 1.00 0.00 C ATOM 1322 O ILE A 91 10.073 -0.711 -2.295 1.00 0.00 O ATOM 1323 CB ILE A 91 7.147 0.085 -2.794 1.00 0.00 C ATOM 1324 CG1 ILE A 91 5.832 -0.245 -3.501 1.00 0.00 C ATOM 1325 CG2 ILE A 91 7.083 1.468 -2.163 1.00 0.00 C ATOM 1326 CD1 ILE A 91 4.771 -0.798 -2.574 1.00 0.00 C ATOM 0 H ILE A 91 8.133 -2.085 -3.930 1.00 0.00 H new ATOM 0 HA ILE A 91 8.228 0.792 -4.525 1.00 0.00 H new ATOM 0 HB ILE A 91 7.304 -0.647 -2.002 1.00 0.00 H new ATOM 0 HG12 ILE A 91 5.450 0.656 -3.981 1.00 0.00 H new ATOM 0 HG13 ILE A 91 6.026 -0.969 -4.292 1.00 0.00 H new ATOM 0 HG21 ILE A 91 6.245 1.512 -1.468 1.00 0.00 H new ATOM 0 HG22 ILE A 91 8.011 1.666 -1.626 1.00 0.00 H new ATOM 0 HG23 ILE A 91 6.948 2.218 -2.943 1.00 0.00 H new ATOM 0 HD11 ILE A 91 3.865 -1.010 -3.143 1.00 0.00 H new ATOM 0 HD12 ILE A 91 5.133 -1.717 -2.113 1.00 0.00 H new ATOM 0 HD13 ILE A 91 4.549 -0.066 -1.797 1.00 0.00 H new ATOM 1338 N SER A 92 10.248 1.351 -3.179 1.00 0.00 N ATOM 1339 CA SER A 92 11.504 1.654 -2.504 1.00 0.00 C ATOM 1340 C SER A 92 11.383 2.931 -1.679 1.00 0.00 C ATOM 1341 O SER A 92 10.326 3.561 -1.643 1.00 0.00 O ATOM 1342 CB SER A 92 12.634 1.799 -3.524 1.00 0.00 C ATOM 1343 OG SER A 92 13.299 0.564 -3.728 1.00 0.00 O ATOM 0 H SER A 92 9.896 2.103 -3.772 1.00 0.00 H new ATOM 0 HA SER A 92 11.734 0.828 -1.832 1.00 0.00 H new ATOM 0 HB2 SER A 92 12.230 2.159 -4.470 1.00 0.00 H new ATOM 0 HB3 SER A 92 13.347 2.547 -3.177 1.00 0.00 H new ATOM 0 HG SER A 92 14.016 0.683 -4.386 1.00 0.00 H new ATOM 1349 N LYS A 93 12.471 3.307 -1.016 1.00 0.00 N ATOM 1350 CA LYS A 93 12.488 4.509 -0.191 1.00 0.00 C ATOM 1351 C LYS A 93 12.593 5.760 -1.057 1.00 0.00 C ATOM 1352 O LYS A 93 13.079 5.707 -2.186 1.00 0.00 O ATOM 1353 CB LYS A 93 13.654 4.458 0.799 1.00 0.00 C ATOM 1354 CG LYS A 93 13.356 5.140 2.123 1.00 0.00 C ATOM 1355 CD LYS A 93 14.507 6.032 2.565 1.00 0.00 C ATOM 1356 CE LYS A 93 14.306 7.470 2.112 1.00 0.00 C ATOM 1357 NZ LYS A 93 14.095 8.391 3.263 1.00 0.00 N ATOM 0 H LYS A 93 13.354 2.796 -1.034 1.00 0.00 H new ATOM 0 HA LYS A 93 11.552 4.552 0.365 1.00 0.00 H new ATOM 0 HB2 LYS A 93 13.915 3.417 0.987 1.00 0.00 H new ATOM 0 HB3 LYS A 93 14.526 4.929 0.345 1.00 0.00 H new ATOM 0 HG2 LYS A 93 12.448 5.736 2.030 1.00 0.00 H new ATOM 0 HG3 LYS A 93 13.165 4.386 2.887 1.00 0.00 H new ATOM 0 HD2 LYS A 93 14.596 6.001 3.651 1.00 0.00 H new ATOM 0 HD3 LYS A 93 15.442 5.649 2.157 1.00 0.00 H new ATOM 0 HE2 LYS A 93 15.176 7.796 1.541 1.00 0.00 H new ATOM 0 HE3 LYS A 93 13.447 7.523 1.443 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 13.962 9.361 2.912 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 13.250 8.096 3.793 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 14.925 8.360 3.889 1.00 0.00 H new ATOM 1371 N LEU A 94 12.135 6.887 -0.519 1.00 0.00 N ATOM 1372 CA LEU A 94 12.178 8.152 -1.243 1.00 0.00 C ATOM 1373 C LEU A 94 13.618 8.616 -1.441 1.00 0.00 C ATOM 1374 O LEU A 94 14.381 8.732 -0.482 1.00 0.00 O ATOM 1375 CB LEU A 94 11.384 9.222 -0.493 1.00 0.00 C ATOM 1376 CG LEU A 94 10.908 10.395 -1.351 1.00 0.00 C ATOM 1377 CD1 LEU A 94 10.114 9.893 -2.547 1.00 0.00 C ATOM 1378 CD2 LEU A 94 10.072 11.357 -0.520 1.00 0.00 C ATOM 0 H LEU A 94 11.730 6.949 0.415 1.00 0.00 H new ATOM 0 HA LEU A 94 11.727 7.996 -2.223 1.00 0.00 H new ATOM 0 HB2 LEU A 94 10.515 8.752 -0.033 1.00 0.00 H new ATOM 0 HB3 LEU A 94 12.002 9.611 0.316 1.00 0.00 H new ATOM 0 HG LEU A 94 11.783 10.930 -1.720 1.00 0.00 H new ATOM 0 HD11 LEU A 94 9.783 10.741 -3.146 1.00 0.00 H new ATOM 0 HD12 LEU A 94 10.743 9.243 -3.155 1.00 0.00 H new ATOM 0 HD13 LEU A 94 9.245 9.334 -2.198 1.00 0.00 H new ATOM 0 HD21 LEU A 94 9.741 12.186 -1.146 1.00 0.00 H new ATOM 0 HD22 LEU A 94 9.203 10.833 -0.122 1.00 0.00 H new ATOM 0 HD23 LEU A 94 10.672 11.742 0.304 1.00 0.00 H new