USER MOD reduce.3.24.130724 H: found=0, std=0, add=699, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 697 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 135 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 194 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 107 GLN : amide:sc= -0.166 X(o=-3.4,f=-3.3) USER MOD Set 2.2: A 125 GLN : amide:sc= -3.27! C(o=-3.4!,f=-4.8!) USER MOD Set 3.1: A 88 SER OG : rot -52:sc= 0.395 USER MOD Set 3.2: A 89 HIS : no HE2:sc= -2.3 K(o=-3.8,f=-7.6!) USER MOD Set 3.3: A 142 CYS SG : rot 45:sc= -1.92 USER MOD Single : A 79 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 80 THR OG1 : rot 180:sc= -0.693! USER MOD Single : A 81 TYR OH : rot 180:sc= 0 USER MOD Single : A 82 LYS NZ :NH3+ -117:sc= 0.397 (180deg=-0.0304) USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 HIS : no HD1:sc= -10.6! C(o=-11!,f=-17!) USER MOD Single : A 103 SER OG : rot 180:sc= 0 USER MOD Single : A 104 GLN : amide:sc= -0.0154 K(o=-0.015,f=-0.53) USER MOD Single : A 115 TYR OH : rot 180:sc= 0 USER MOD Single : A 116 HIS : no HE2:sc= -2.59 K(o=-2.6,f=-7!) USER MOD Single : A 117 THR OG1 : rot -117:sc= 0.186 USER MOD Single : A 118 GLN : amide:sc= -1.76! K(o=-1.8!,f=-0.019) USER MOD Single : A 120 TYR OH : rot 180:sc= 0 USER MOD Single : A 126 ASN : amide:sc= -5.61! C(o=-5.6!,f=-3.8!) USER MOD Single : A 127 TYR OH : rot 180:sc= -0.146 USER MOD Single : A 128 THR OG1 : rot 180:sc= 0 USER MOD Single : A 138 THR OG1 : rot -139:sc= 1.31 USER MOD Single : A 143 TYR OH : rot 104:sc= 0.257 USER MOD Single : A 144 LYS NZ :NH3+ -122:sc= -0.588 (180deg=-2.13!) USER MOD Single : A 187 SER OG : rot 170:sc= 0 USER MOD Single : A 192 HIS : no HD1:sc=-0.00742 X(o=-0.0074,f=-0.097) USER MOD Single : A 193 HIS : no HE2:sc= -0.93! C(o=-0.93!,f=-5.1!) USER MOD ----------------------------------------------------------------- ATOM 274 N VAL A 74 18.399 -1.223 -9.698 1.00 1.04 N ATOM 275 CA VAL A 74 19.569 -1.898 -9.057 1.00 0.93 C ATOM 276 C VAL A 74 19.321 -3.412 -9.106 1.00 0.86 C ATOM 277 O VAL A 74 18.185 -3.844 -9.122 1.00 0.89 O ATOM 278 CB VAL A 74 19.680 -1.446 -7.594 1.00 1.09 C ATOM 279 CG1 VAL A 74 20.163 0.006 -7.528 1.00 1.17 C ATOM 280 CG2 VAL A 74 18.308 -1.558 -6.926 1.00 1.38 C ATOM 0 HA VAL A 74 20.492 -1.643 -9.578 1.00 0.93 H new ATOM 0 HB VAL A 74 20.397 -2.082 -7.075 1.00 1.09 H new ATOM 0 HG11 VAL A 74 20.238 0.317 -6.486 1.00 1.17 H new ATOM 0 HG12 VAL A 74 21.141 0.086 -8.002 1.00 1.17 H new ATOM 0 HG13 VAL A 74 19.454 0.649 -8.048 1.00 1.17 H new ATOM 0 HG21 VAL A 74 18.382 -1.238 -5.887 1.00 1.38 H new ATOM 0 HG22 VAL A 74 17.595 -0.923 -7.451 1.00 1.38 H new ATOM 0 HG23 VAL A 74 17.968 -2.593 -6.964 1.00 1.38 H new ATOM 290 N PRO A 75 20.356 -4.221 -9.128 1.00 0.93 N ATOM 291 CA PRO A 75 20.211 -5.705 -9.175 1.00 1.00 C ATOM 292 C PRO A 75 18.991 -6.198 -8.386 1.00 0.88 C ATOM 293 O PRO A 75 18.798 -5.850 -7.237 1.00 0.84 O ATOM 294 CB PRO A 75 21.514 -6.186 -8.545 1.00 1.18 C ATOM 295 CG PRO A 75 22.529 -5.171 -8.979 1.00 1.37 C ATOM 296 CD PRO A 75 21.779 -3.830 -9.116 1.00 1.13 C ATOM 0 HA PRO A 75 20.046 -6.082 -10.184 1.00 1.00 H new ATOM 0 HB2 PRO A 75 21.437 -6.233 -7.459 1.00 1.18 H new ATOM 0 HB3 PRO A 75 21.778 -7.186 -8.890 1.00 1.18 H new ATOM 0 HG2 PRO A 75 23.335 -5.092 -8.249 1.00 1.37 H new ATOM 0 HG3 PRO A 75 22.985 -5.459 -9.926 1.00 1.37 H new ATOM 0 HD2 PRO A 75 22.003 -3.160 -8.286 1.00 1.13 H new ATOM 0 HD3 PRO A 75 22.058 -3.308 -10.031 1.00 1.13 H new ATOM 304 N LEU A 76 18.157 -6.990 -9.005 1.00 0.86 N ATOM 305 CA LEU A 76 16.936 -7.489 -8.305 1.00 0.77 C ATOM 306 C LEU A 76 17.323 -8.384 -7.126 1.00 0.77 C ATOM 307 O LEU A 76 17.587 -9.559 -7.286 1.00 0.85 O ATOM 308 CB LEU A 76 16.073 -8.302 -9.278 1.00 0.84 C ATOM 309 CG LEU A 76 15.584 -7.414 -10.432 1.00 0.87 C ATOM 310 CD1 LEU A 76 14.940 -8.300 -11.505 1.00 1.01 C ATOM 311 CD2 LEU A 76 14.549 -6.392 -9.922 1.00 0.76 C ATOM 0 H LEU A 76 18.268 -7.314 -9.966 1.00 0.86 H new ATOM 0 HA LEU A 76 16.376 -6.628 -7.939 1.00 0.77 H new ATOM 0 HB2 LEU A 76 16.650 -9.138 -9.674 1.00 0.84 H new ATOM 0 HB3 LEU A 76 15.219 -8.725 -8.750 1.00 0.84 H new ATOM 0 HG LEU A 76 16.432 -6.873 -10.852 1.00 0.87 H new ATOM 0 HD11 LEU A 76 14.590 -7.678 -12.329 1.00 1.01 H new ATOM 0 HD12 LEU A 76 15.675 -9.014 -11.877 1.00 1.01 H new ATOM 0 HD13 LEU A 76 14.097 -8.839 -11.074 1.00 1.01 H new ATOM 0 HD21 LEU A 76 14.212 -5.770 -10.752 1.00 0.76 H new ATOM 0 HD22 LEU A 76 13.696 -6.920 -9.495 1.00 0.76 H new ATOM 0 HD23 LEU A 76 15.005 -5.762 -9.158 1.00 0.76 H new ATOM 323 N ARG A 77 17.334 -7.843 -5.939 1.00 0.74 N ATOM 324 CA ARG A 77 17.673 -8.667 -4.746 1.00 0.79 C ATOM 325 C ARG A 77 16.409 -9.425 -4.313 1.00 0.71 C ATOM 326 O ARG A 77 15.309 -8.983 -4.576 1.00 0.73 O ATOM 327 CB ARG A 77 18.140 -7.741 -3.615 1.00 0.85 C ATOM 328 CG ARG A 77 19.606 -7.356 -3.835 1.00 1.19 C ATOM 329 CD ARG A 77 20.005 -6.270 -2.835 1.00 1.52 C ATOM 330 NE ARG A 77 21.444 -5.931 -3.019 1.00 2.13 N ATOM 331 CZ ARG A 77 21.929 -4.838 -2.496 1.00 2.66 C ATOM 332 NH1 ARG A 77 21.155 -4.043 -1.810 1.00 2.73 N ATOM 333 NH2 ARG A 77 23.189 -4.540 -2.659 1.00 3.61 N ATOM 0 H ARG A 77 17.122 -6.864 -5.744 1.00 0.74 H new ATOM 0 HA ARG A 77 18.469 -9.375 -4.978 1.00 0.79 H new ATOM 0 HB2 ARG A 77 17.519 -6.845 -3.586 1.00 0.85 H new ATOM 0 HB3 ARG A 77 18.025 -8.240 -2.653 1.00 0.85 H new ATOM 0 HG2 ARG A 77 20.245 -8.231 -3.712 1.00 1.19 H new ATOM 0 HG3 ARG A 77 19.750 -6.997 -4.854 1.00 1.19 H new ATOM 0 HD2 ARG A 77 19.390 -5.382 -2.981 1.00 1.52 H new ATOM 0 HD3 ARG A 77 19.829 -6.616 -1.816 1.00 1.52 H new ATOM 0 HE ARG A 77 22.050 -6.553 -3.554 1.00 2.13 H new ATOM 0 HH11 ARG A 77 20.170 -4.275 -1.682 1.00 2.73 H new ATOM 0 HH12 ARG A 77 21.535 -3.189 -1.402 1.00 2.73 H new ATOM 0 HH21 ARG A 77 23.795 -5.161 -3.195 1.00 3.61 H new ATOM 0 HH22 ARG A 77 23.568 -3.686 -2.250 1.00 3.61 H new ATOM 347 N PRO A 78 16.549 -10.553 -3.660 1.00 0.79 N ATOM 348 CA PRO A 78 15.372 -11.352 -3.197 1.00 0.76 C ATOM 349 C PRO A 78 14.657 -10.684 -2.012 1.00 0.67 C ATOM 350 O PRO A 78 15.221 -10.515 -0.948 1.00 0.69 O ATOM 351 CB PRO A 78 15.989 -12.697 -2.786 1.00 0.86 C ATOM 352 CG PRO A 78 17.399 -12.373 -2.405 1.00 1.18 C ATOM 353 CD PRO A 78 17.825 -11.200 -3.296 1.00 1.06 C ATOM 0 HA PRO A 78 14.608 -11.450 -3.968 1.00 0.76 H new ATOM 0 HB2 PRO A 78 15.447 -13.142 -1.952 1.00 0.86 H new ATOM 0 HB3 PRO A 78 15.956 -13.414 -3.606 1.00 0.86 H new ATOM 0 HG2 PRO A 78 17.465 -12.105 -1.351 1.00 1.18 H new ATOM 0 HG3 PRO A 78 18.051 -13.234 -2.557 1.00 1.18 H new ATOM 0 HD2 PRO A 78 18.485 -10.513 -2.765 1.00 1.06 H new ATOM 0 HD3 PRO A 78 18.365 -11.543 -4.178 1.00 1.06 H new ATOM 361 N MET A 79 13.418 -10.306 -2.189 1.00 0.65 N ATOM 362 CA MET A 79 12.666 -9.652 -1.077 1.00 0.61 C ATOM 363 C MET A 79 12.448 -10.664 0.052 1.00 0.51 C ATOM 364 O MET A 79 11.869 -11.713 -0.147 1.00 0.56 O ATOM 365 CB MET A 79 11.314 -9.159 -1.597 1.00 0.66 C ATOM 366 CG MET A 79 10.621 -8.326 -0.517 1.00 0.74 C ATOM 367 SD MET A 79 9.045 -7.702 -1.153 1.00 1.25 S ATOM 368 CE MET A 79 8.911 -6.266 -0.060 1.00 0.83 C ATOM 0 H MET A 79 12.894 -10.422 -3.056 1.00 0.65 H new ATOM 0 HA MET A 79 13.236 -8.804 -0.698 1.00 0.61 H new ATOM 0 HB2 MET A 79 11.456 -8.561 -2.497 1.00 0.66 H new ATOM 0 HB3 MET A 79 10.688 -10.007 -1.873 1.00 0.66 H new ATOM 0 HG2 MET A 79 10.452 -8.933 0.372 1.00 0.74 H new ATOM 0 HG3 MET A 79 11.260 -7.495 -0.219 1.00 0.74 H new ATOM 0 HE1 MET A 79 7.992 -5.724 -0.283 1.00 0.83 H new ATOM 0 HE2 MET A 79 8.893 -6.599 0.978 1.00 0.83 H new ATOM 0 HE3 MET A 79 9.767 -5.609 -0.216 1.00 0.83 H new ATOM 378 N THR A 80 12.917 -10.363 1.236 1.00 0.56 N ATOM 379 CA THR A 80 12.748 -11.316 2.375 1.00 0.60 C ATOM 380 C THR A 80 11.442 -11.051 3.105 1.00 0.56 C ATOM 381 O THR A 80 10.996 -9.930 3.217 1.00 0.50 O ATOM 382 CB THR A 80 13.923 -11.166 3.348 1.00 0.77 C ATOM 383 OG1 THR A 80 13.708 -10.042 4.189 1.00 0.94 O ATOM 384 CG2 THR A 80 15.218 -10.979 2.558 1.00 0.73 C ATOM 0 H THR A 80 13.409 -9.499 1.463 1.00 0.56 H new ATOM 0 HA THR A 80 12.726 -12.332 1.981 1.00 0.60 H new ATOM 0 HB THR A 80 14.001 -12.063 3.963 1.00 0.77 H new ATOM 0 HG1 THR A 80 14.460 -9.950 4.811 1.00 0.94 H new ATOM 0 HG21 THR A 80 16.054 -10.872 3.249 1.00 0.73 H new ATOM 0 HG22 THR A 80 15.384 -11.847 1.920 1.00 0.73 H new ATOM 0 HG23 THR A 80 15.141 -10.084 1.940 1.00 0.73 H new ATOM 392 N TYR A 81 10.829 -12.083 3.635 1.00 0.61 N ATOM 393 CA TYR A 81 9.568 -11.876 4.396 1.00 0.60 C ATOM 394 C TYR A 81 9.878 -10.789 5.424 1.00 0.51 C ATOM 395 O TYR A 81 9.129 -9.851 5.613 1.00 0.45 O ATOM 396 CB TYR A 81 9.158 -13.210 5.070 1.00 0.69 C ATOM 397 CG TYR A 81 8.632 -12.987 6.478 1.00 0.60 C ATOM 398 CD1 TYR A 81 7.347 -12.466 6.673 1.00 0.59 C ATOM 399 CD2 TYR A 81 9.434 -13.302 7.583 1.00 0.71 C ATOM 400 CE1 TYR A 81 6.866 -12.260 7.973 1.00 0.66 C ATOM 401 CE2 TYR A 81 8.952 -13.097 8.880 1.00 0.77 C ATOM 402 CZ TYR A 81 7.668 -12.575 9.075 1.00 0.73 C ATOM 403 OH TYR A 81 7.194 -12.372 10.355 1.00 0.90 O ATOM 0 H TYR A 81 11.148 -13.050 3.572 1.00 0.61 H new ATOM 0 HA TYR A 81 8.734 -11.570 3.764 1.00 0.60 H new ATOM 0 HB2 TYR A 81 8.393 -13.702 4.469 1.00 0.69 H new ATOM 0 HB3 TYR A 81 10.017 -13.880 5.104 1.00 0.69 H new ATOM 0 HD1 TYR A 81 6.727 -12.223 5.822 1.00 0.59 H new ATOM 0 HD2 TYR A 81 10.425 -13.703 7.433 1.00 0.71 H new ATOM 0 HE1 TYR A 81 5.875 -11.858 8.124 1.00 0.66 H new ATOM 0 HE2 TYR A 81 9.571 -13.341 9.731 1.00 0.77 H new ATOM 0 HH TYR A 81 7.877 -12.644 11.004 1.00 0.90 H new ATOM 413 N LYS A 82 11.017 -10.899 6.045 1.00 0.52 N ATOM 414 CA LYS A 82 11.434 -9.867 7.015 1.00 0.48 C ATOM 415 C LYS A 82 11.525 -8.536 6.270 1.00 0.40 C ATOM 416 O LYS A 82 11.326 -7.482 6.842 1.00 0.38 O ATOM 417 CB LYS A 82 12.800 -10.233 7.607 1.00 0.55 C ATOM 418 CG LYS A 82 13.036 -9.432 8.890 1.00 0.60 C ATOM 419 CD LYS A 82 14.452 -9.698 9.407 1.00 0.92 C ATOM 420 CE LYS A 82 14.603 -9.128 10.820 1.00 1.49 C ATOM 421 NZ LYS A 82 14.590 -7.640 10.760 1.00 2.32 N ATOM 0 H LYS A 82 11.677 -11.666 5.918 1.00 0.52 H new ATOM 0 HA LYS A 82 10.715 -9.795 7.831 1.00 0.48 H new ATOM 0 HB2 LYS A 82 12.840 -11.301 7.821 1.00 0.55 H new ATOM 0 HB3 LYS A 82 13.589 -10.022 6.885 1.00 0.55 H new ATOM 0 HG2 LYS A 82 12.902 -8.368 8.696 1.00 0.60 H new ATOM 0 HG3 LYS A 82 12.303 -9.713 9.646 1.00 0.60 H new ATOM 0 HD2 LYS A 82 14.651 -10.770 9.414 1.00 0.92 H new ATOM 0 HD3 LYS A 82 15.184 -9.242 8.741 1.00 0.92 H new ATOM 0 HE2 LYS A 82 13.792 -9.484 11.456 1.00 1.49 H new ATOM 0 HE3 LYS A 82 15.534 -9.476 11.266 1.00 1.49 H new ATOM 0 HZ1 LYS A 82 15.503 -7.271 11.094 1.00 2.32 H new ATOM 0 HZ2 LYS A 82 14.430 -7.333 9.779 1.00 2.32 H new ATOM 0 HZ3 LYS A 82 13.827 -7.275 11.365 1.00 2.32 H new ATOM 435 N ALA A 83 11.821 -8.567 4.985 1.00 0.42 N ATOM 436 CA ALA A 83 11.910 -7.277 4.236 1.00 0.41 C ATOM 437 C ALA A 83 10.533 -6.603 4.209 1.00 0.35 C ATOM 438 O ALA A 83 10.422 -5.399 4.306 1.00 0.34 O ATOM 439 CB ALA A 83 12.381 -7.528 2.797 1.00 0.52 C ATOM 0 H ALA A 83 12.000 -9.410 4.439 1.00 0.42 H new ATOM 0 HA ALA A 83 12.629 -6.629 4.737 1.00 0.41 H new ATOM 0 HB1 ALA A 83 12.441 -6.580 2.263 1.00 0.52 H new ATOM 0 HB2 ALA A 83 13.364 -7.999 2.813 1.00 0.52 H new ATOM 0 HB3 ALA A 83 11.673 -8.184 2.292 1.00 0.52 H new ATOM 445 N ALA A 84 9.484 -7.370 4.079 1.00 0.34 N ATOM 446 CA ALA A 84 8.115 -6.775 4.040 1.00 0.31 C ATOM 447 C ALA A 84 7.815 -6.067 5.363 1.00 0.28 C ATOM 448 O ALA A 84 7.443 -4.911 5.386 1.00 0.28 O ATOM 449 CB ALA A 84 7.086 -7.884 3.816 1.00 0.34 C ATOM 0 H ALA A 84 9.515 -8.386 3.998 1.00 0.34 H new ATOM 0 HA ALA A 84 8.063 -6.052 3.226 1.00 0.31 H new ATOM 0 HB1 ALA A 84 6.086 -7.452 3.787 1.00 0.34 H new ATOM 0 HB2 ALA A 84 7.292 -8.386 2.871 1.00 0.34 H new ATOM 0 HB3 ALA A 84 7.146 -8.606 4.630 1.00 0.34 H new ATOM 455 N VAL A 85 7.965 -6.750 6.464 1.00 0.29 N ATOM 456 CA VAL A 85 7.676 -6.107 7.777 1.00 0.29 C ATOM 457 C VAL A 85 8.641 -4.947 8.002 1.00 0.29 C ATOM 458 O VAL A 85 8.248 -3.880 8.430 1.00 0.30 O ATOM 459 CB VAL A 85 7.830 -7.133 8.900 1.00 0.33 C ATOM 460 CG1 VAL A 85 7.234 -6.573 10.196 1.00 0.37 C ATOM 461 CG2 VAL A 85 7.091 -8.417 8.517 1.00 0.38 C ATOM 0 H VAL A 85 8.274 -7.721 6.512 1.00 0.29 H new ATOM 0 HA VAL A 85 6.653 -5.730 7.776 1.00 0.29 H new ATOM 0 HB VAL A 85 8.888 -7.348 9.051 1.00 0.33 H new ATOM 0 HG11 VAL A 85 7.345 -7.307 10.994 1.00 0.37 H new ATOM 0 HG12 VAL A 85 7.756 -5.656 10.470 1.00 0.37 H new ATOM 0 HG13 VAL A 85 6.176 -6.357 10.046 1.00 0.37 H new ATOM 0 HG21 VAL A 85 7.199 -9.151 9.316 1.00 0.38 H new ATOM 0 HG22 VAL A 85 6.034 -8.197 8.366 1.00 0.38 H new ATOM 0 HG23 VAL A 85 7.513 -8.819 7.596 1.00 0.38 H new ATOM 471 N ASP A 86 9.897 -5.133 7.707 1.00 0.30 N ATOM 472 CA ASP A 86 10.858 -4.018 7.899 1.00 0.32 C ATOM 473 C ASP A 86 10.424 -2.862 7.001 1.00 0.30 C ATOM 474 O ASP A 86 10.361 -1.723 7.420 1.00 0.31 O ATOM 475 CB ASP A 86 12.266 -4.474 7.507 1.00 0.36 C ATOM 476 CG ASP A 86 12.763 -5.519 8.508 1.00 0.42 C ATOM 477 OD1 ASP A 86 12.015 -5.847 9.414 1.00 1.05 O ATOM 478 OD2 ASP A 86 13.884 -5.973 8.351 1.00 1.23 O ATOM 0 H ASP A 86 10.294 -6.000 7.345 1.00 0.30 H new ATOM 0 HA ASP A 86 10.871 -3.705 8.943 1.00 0.32 H new ATOM 0 HB2 ASP A 86 12.256 -4.894 6.501 1.00 0.36 H new ATOM 0 HB3 ASP A 86 12.944 -3.621 7.489 1.00 0.36 H new ATOM 483 N LEU A 87 10.111 -3.155 5.769 1.00 0.29 N ATOM 484 CA LEU A 87 9.663 -2.085 4.838 1.00 0.30 C ATOM 485 C LEU A 87 8.354 -1.474 5.345 1.00 0.29 C ATOM 486 O LEU A 87 8.174 -0.272 5.317 1.00 0.30 O ATOM 487 CB LEU A 87 9.446 -2.673 3.438 1.00 0.33 C ATOM 488 CG LEU A 87 9.384 -1.541 2.390 1.00 0.42 C ATOM 489 CD1 LEU A 87 10.796 -1.195 1.903 1.00 0.52 C ATOM 490 CD2 LEU A 87 8.543 -1.991 1.189 1.00 0.44 C ATOM 0 H LEU A 87 10.147 -4.092 5.367 1.00 0.29 H new ATOM 0 HA LEU A 87 10.428 -1.310 4.789 1.00 0.30 H new ATOM 0 HB2 LEU A 87 10.256 -3.360 3.194 1.00 0.33 H new ATOM 0 HB3 LEU A 87 8.521 -3.250 3.417 1.00 0.33 H new ATOM 0 HG LEU A 87 8.932 -0.664 2.852 1.00 0.42 H new ATOM 0 HD11 LEU A 87 10.740 -0.396 1.164 1.00 0.52 H new ATOM 0 HD12 LEU A 87 11.402 -0.867 2.748 1.00 0.52 H new ATOM 0 HD13 LEU A 87 11.251 -2.076 1.450 1.00 0.52 H new ATOM 0 HD21 LEU A 87 8.502 -1.189 0.452 1.00 0.44 H new ATOM 0 HD22 LEU A 87 8.995 -2.875 0.739 1.00 0.44 H new ATOM 0 HD23 LEU A 87 7.533 -2.230 1.521 1.00 0.44 H new ATOM 502 N SER A 88 7.430 -2.283 5.803 1.00 0.30 N ATOM 503 CA SER A 88 6.143 -1.718 6.293 1.00 0.34 C ATOM 504 C SER A 88 6.420 -0.575 7.273 1.00 0.33 C ATOM 505 O SER A 88 5.923 0.522 7.115 1.00 0.36 O ATOM 506 CB SER A 88 5.336 -2.807 6.994 1.00 0.40 C ATOM 507 OG SER A 88 5.992 -3.178 8.199 1.00 0.44 O ATOM 0 H SER A 88 7.513 -3.298 5.857 1.00 0.30 H new ATOM 0 HA SER A 88 5.574 -1.336 5.445 1.00 0.34 H new ATOM 0 HB2 SER A 88 4.330 -2.447 7.210 1.00 0.40 H new ATOM 0 HB3 SER A 88 5.231 -3.674 6.342 1.00 0.40 H new ATOM 0 HG SER A 88 6.929 -3.395 8.008 1.00 0.44 H new ATOM 513 N HIS A 89 7.211 -0.819 8.282 1.00 0.34 N ATOM 514 CA HIS A 89 7.508 0.263 9.262 1.00 0.36 C ATOM 515 C HIS A 89 8.398 1.315 8.601 1.00 0.36 C ATOM 516 O HIS A 89 8.346 2.481 8.935 1.00 0.41 O ATOM 517 CB HIS A 89 8.236 -0.321 10.477 1.00 0.41 C ATOM 518 CG HIS A 89 7.270 -1.096 11.330 1.00 0.52 C ATOM 519 ND1 HIS A 89 6.763 -0.589 12.517 1.00 1.43 N ATOM 520 CD2 HIS A 89 6.721 -2.347 11.192 1.00 1.01 C ATOM 521 CE1 HIS A 89 5.950 -1.524 13.042 1.00 1.27 C ATOM 522 NE2 HIS A 89 5.889 -2.615 12.274 1.00 0.82 N ATOM 0 H HIS A 89 7.662 -1.715 8.469 1.00 0.34 H new ATOM 0 HA HIS A 89 6.573 0.720 9.586 1.00 0.36 H new ATOM 0 HB2 HIS A 89 9.047 -0.971 10.148 1.00 0.41 H new ATOM 0 HB3 HIS A 89 8.688 0.481 11.061 1.00 0.41 H new ATOM 0 HD1 HIS A 89 6.969 0.326 12.919 1.00 1.43 H new ATOM 0 HD2 HIS A 89 6.907 -3.021 10.368 1.00 1.01 H new ATOM 0 HE1 HIS A 89 5.412 -1.407 13.971 1.00 1.27 H new ATOM 530 N PHE A 90 9.211 0.921 7.662 1.00 0.34 N ATOM 531 CA PHE A 90 10.088 1.914 6.987 1.00 0.37 C ATOM 532 C PHE A 90 9.208 2.995 6.361 1.00 0.40 C ATOM 533 O PHE A 90 9.358 4.170 6.628 1.00 0.47 O ATOM 534 CB PHE A 90 10.906 1.216 5.895 1.00 0.38 C ATOM 535 CG PHE A 90 12.045 2.109 5.463 1.00 0.47 C ATOM 536 CD1 PHE A 90 13.257 2.084 6.163 1.00 0.57 C ATOM 537 CD2 PHE A 90 11.889 2.961 4.363 1.00 0.59 C ATOM 538 CE1 PHE A 90 14.313 2.910 5.763 1.00 0.69 C ATOM 539 CE2 PHE A 90 12.946 3.787 3.963 1.00 0.70 C ATOM 540 CZ PHE A 90 14.158 3.763 4.663 1.00 0.72 C ATOM 0 H PHE A 90 9.306 -0.040 7.335 1.00 0.34 H new ATOM 0 HA PHE A 90 10.770 2.363 7.709 1.00 0.37 H new ATOM 0 HB2 PHE A 90 11.295 0.269 6.268 1.00 0.38 H new ATOM 0 HB3 PHE A 90 10.269 0.985 5.042 1.00 0.38 H new ATOM 0 HD1 PHE A 90 13.377 1.427 7.012 1.00 0.57 H new ATOM 0 HD2 PHE A 90 10.954 2.981 3.823 1.00 0.59 H new ATOM 0 HE1 PHE A 90 15.248 2.890 6.303 1.00 0.69 H new ATOM 0 HE2 PHE A 90 12.826 4.443 3.114 1.00 0.70 H new ATOM 0 HZ PHE A 90 14.973 4.402 4.355 1.00 0.72 H new ATOM 550 N LEU A 91 8.283 2.598 5.531 1.00 0.37 N ATOM 551 CA LEU A 91 7.377 3.587 4.883 1.00 0.42 C ATOM 552 C LEU A 91 6.547 4.314 5.949 1.00 0.47 C ATOM 553 O LEU A 91 6.047 5.398 5.723 1.00 0.57 O ATOM 554 CB LEU A 91 6.447 2.850 3.906 1.00 0.41 C ATOM 555 CG LEU A 91 7.188 2.573 2.577 1.00 0.41 C ATOM 556 CD1 LEU A 91 6.602 1.330 1.901 1.00 0.42 C ATOM 557 CD2 LEU A 91 7.036 3.774 1.632 1.00 0.54 C ATOM 0 H LEU A 91 8.115 1.626 5.273 1.00 0.37 H new ATOM 0 HA LEU A 91 7.969 4.324 4.339 1.00 0.42 H new ATOM 0 HB2 LEU A 91 6.112 1.911 4.348 1.00 0.41 H new ATOM 0 HB3 LEU A 91 5.556 3.449 3.717 1.00 0.41 H new ATOM 0 HG LEU A 91 8.243 2.409 2.794 1.00 0.41 H new ATOM 0 HD11 LEU A 91 7.129 1.142 0.966 1.00 0.42 H new ATOM 0 HD12 LEU A 91 6.715 0.470 2.561 1.00 0.42 H new ATOM 0 HD13 LEU A 91 5.544 1.493 1.695 1.00 0.42 H new ATOM 0 HD21 LEU A 91 7.561 3.571 0.698 1.00 0.54 H new ATOM 0 HD22 LEU A 91 5.979 3.943 1.425 1.00 0.54 H new ATOM 0 HD23 LEU A 91 7.460 4.662 2.101 1.00 0.54 H new ATOM 569 N LYS A 92 6.382 3.725 7.106 1.00 0.45 N ATOM 570 CA LYS A 92 5.569 4.389 8.166 1.00 0.53 C ATOM 571 C LYS A 92 6.238 5.696 8.612 1.00 0.63 C ATOM 572 O LYS A 92 5.669 6.762 8.497 1.00 0.85 O ATOM 573 CB LYS A 92 5.435 3.450 9.366 1.00 0.54 C ATOM 574 CG LYS A 92 4.391 4.003 10.336 1.00 0.73 C ATOM 575 CD LYS A 92 4.288 3.082 11.554 1.00 1.20 C ATOM 576 CE LYS A 92 3.321 3.688 12.572 1.00 1.61 C ATOM 577 NZ LYS A 92 3.042 2.690 13.644 1.00 2.27 N ATOM 0 H LYS A 92 6.773 2.818 7.361 1.00 0.45 H new ATOM 0 HA LYS A 92 4.582 4.618 7.763 1.00 0.53 H new ATOM 0 HB2 LYS A 92 5.143 2.455 9.031 1.00 0.54 H new ATOM 0 HB3 LYS A 92 6.396 3.348 9.870 1.00 0.54 H new ATOM 0 HG2 LYS A 92 4.668 5.009 10.650 1.00 0.73 H new ATOM 0 HG3 LYS A 92 3.423 4.079 9.841 1.00 0.73 H new ATOM 0 HD2 LYS A 92 3.940 2.095 11.249 1.00 1.20 H new ATOM 0 HD3 LYS A 92 5.271 2.948 12.006 1.00 1.20 H new ATOM 0 HE2 LYS A 92 3.750 4.592 13.004 1.00 1.61 H new ATOM 0 HE3 LYS A 92 2.393 3.979 12.080 1.00 1.61 H new ATOM 0 HZ1 LYS A 92 2.384 3.100 14.338 1.00 2.27 H new ATOM 0 HZ2 LYS A 92 2.616 1.839 13.224 1.00 2.27 H new ATOM 0 HZ3 LYS A 92 3.931 2.433 14.119 1.00 2.27 H new ATOM 591 N GLU A 93 7.430 5.623 9.133 1.00 0.62 N ATOM 592 CA GLU A 93 8.119 6.864 9.598 1.00 0.76 C ATOM 593 C GLU A 93 8.517 7.737 8.402 1.00 0.77 C ATOM 594 O GLU A 93 8.590 8.944 8.505 1.00 1.05 O ATOM 595 CB GLU A 93 9.377 6.483 10.384 1.00 0.94 C ATOM 596 CG GLU A 93 9.039 5.382 11.392 1.00 1.22 C ATOM 597 CD GLU A 93 7.959 5.884 12.353 1.00 2.00 C ATOM 598 OE1 GLU A 93 6.797 5.840 11.982 1.00 2.54 O ATOM 599 OE2 GLU A 93 8.312 6.302 13.442 1.00 2.73 O ATOM 0 H GLU A 93 7.959 4.760 9.258 1.00 0.62 H new ATOM 0 HA GLU A 93 7.436 7.426 10.235 1.00 0.76 H new ATOM 0 HB2 GLU A 93 10.154 6.139 9.702 1.00 0.94 H new ATOM 0 HB3 GLU A 93 9.772 7.356 10.903 1.00 0.94 H new ATOM 0 HG2 GLU A 93 8.691 4.491 10.870 1.00 1.22 H new ATOM 0 HG3 GLU A 93 9.932 5.097 11.948 1.00 1.22 H new ATOM 606 N LYS A 94 8.782 7.139 7.274 1.00 0.80 N ATOM 607 CA LYS A 94 9.182 7.939 6.082 1.00 1.02 C ATOM 608 C LYS A 94 7.947 8.594 5.466 1.00 0.96 C ATOM 609 O LYS A 94 7.852 8.755 4.266 1.00 1.41 O ATOM 610 CB LYS A 94 9.854 7.029 5.047 1.00 1.39 C ATOM 611 CG LYS A 94 11.170 6.459 5.611 1.00 1.63 C ATOM 612 CD LYS A 94 12.331 7.422 5.323 1.00 2.18 C ATOM 613 CE LYS A 94 13.534 7.046 6.190 1.00 2.61 C ATOM 614 NZ LYS A 94 14.719 7.848 5.772 1.00 2.96 N ATOM 0 H LYS A 94 8.739 6.131 7.126 1.00 0.80 H new ATOM 0 HA LYS A 94 9.886 8.712 6.389 1.00 1.02 H new ATOM 0 HB2 LYS A 94 9.182 6.214 4.779 1.00 1.39 H new ATOM 0 HB3 LYS A 94 10.054 7.590 4.134 1.00 1.39 H new ATOM 0 HG2 LYS A 94 11.076 6.302 6.686 1.00 1.63 H new ATOM 0 HG3 LYS A 94 11.375 5.486 5.164 1.00 1.63 H new ATOM 0 HD2 LYS A 94 12.602 7.377 4.268 1.00 2.18 H new ATOM 0 HD3 LYS A 94 12.026 8.448 5.530 1.00 2.18 H new ATOM 0 HE2 LYS A 94 13.310 7.230 7.241 1.00 2.61 H new ATOM 0 HE3 LYS A 94 13.749 5.982 6.091 1.00 2.61 H new ATOM 0 HZ1 LYS A 94 15.537 7.592 6.362 1.00 2.96 H new ATOM 0 HZ2 LYS A 94 14.937 7.652 4.774 1.00 2.96 H new ATOM 0 HZ3 LYS A 94 14.512 8.860 5.888 1.00 2.96 H new ATOM 628 N GLY A 95 7.004 8.975 6.288 1.00 1.12 N ATOM 629 CA GLY A 95 5.756 9.634 5.776 1.00 1.51 C ATOM 630 C GLY A 95 4.524 8.932 6.355 1.00 1.10 C ATOM 631 O GLY A 95 4.562 7.763 6.683 1.00 1.71 O ATOM 0 H GLY A 95 7.042 8.859 7.301 1.00 1.12 H new ATOM 0 HA2 GLY A 95 5.750 10.688 6.054 1.00 1.51 H new ATOM 0 HA3 GLY A 95 5.732 9.592 4.687 1.00 1.51 H new ATOM 635 N GLY A 96 3.428 9.638 6.489 1.00 1.17 N ATOM 636 CA GLY A 96 2.195 9.018 7.056 1.00 0.99 C ATOM 637 C GLY A 96 1.346 8.405 5.936 1.00 0.81 C ATOM 638 O GLY A 96 0.434 9.028 5.431 1.00 0.83 O ATOM 0 H GLY A 96 3.336 10.620 6.229 1.00 1.17 H new ATOM 0 HA2 GLY A 96 2.466 8.249 7.779 1.00 0.99 H new ATOM 0 HA3 GLY A 96 1.615 9.769 7.592 1.00 0.99 H new ATOM 642 N LEU A 97 1.622 7.185 5.556 1.00 0.67 N ATOM 643 CA LEU A 97 0.810 6.539 4.486 1.00 0.55 C ATOM 644 C LEU A 97 -0.502 6.071 5.119 1.00 0.46 C ATOM 645 O LEU A 97 -1.529 6.016 4.481 1.00 0.49 O ATOM 646 CB LEU A 97 1.599 5.338 3.918 1.00 0.54 C ATOM 647 CG LEU A 97 0.785 4.566 2.847 1.00 0.54 C ATOM 648 CD1 LEU A 97 0.907 5.263 1.484 1.00 0.65 C ATOM 649 CD2 LEU A 97 1.332 3.127 2.730 1.00 0.66 C ATOM 0 H LEU A 97 2.372 6.610 5.940 1.00 0.67 H new ATOM 0 HA LEU A 97 0.599 7.232 3.671 1.00 0.55 H new ATOM 0 HB2 LEU A 97 2.532 5.691 3.480 1.00 0.54 H new ATOM 0 HB3 LEU A 97 1.864 4.661 4.730 1.00 0.54 H new ATOM 0 HG LEU A 97 -0.263 4.545 3.145 1.00 0.54 H new ATOM 0 HD11 LEU A 97 0.331 4.712 0.741 1.00 0.65 H new ATOM 0 HD12 LEU A 97 0.522 6.280 1.560 1.00 0.65 H new ATOM 0 HD13 LEU A 97 1.954 5.293 1.183 1.00 0.65 H new ATOM 0 HD21 LEU A 97 0.762 2.581 1.978 1.00 0.66 H new ATOM 0 HD22 LEU A 97 2.381 3.159 2.437 1.00 0.66 H new ATOM 0 HD23 LEU A 97 1.239 2.623 3.692 1.00 0.66 H new ATOM 661 N GLU A 98 -0.464 5.739 6.378 1.00 0.44 N ATOM 662 CA GLU A 98 -1.694 5.274 7.080 1.00 0.40 C ATOM 663 C GLU A 98 -2.849 6.259 6.863 1.00 0.40 C ATOM 664 O GLU A 98 -2.690 7.462 6.923 1.00 0.58 O ATOM 665 CB GLU A 98 -1.379 5.152 8.583 1.00 0.49 C ATOM 666 CG GLU A 98 -2.659 5.191 9.439 1.00 0.48 C ATOM 667 CD GLU A 98 -3.720 4.263 8.848 1.00 1.26 C ATOM 668 OE1 GLU A 98 -3.345 3.251 8.288 1.00 2.03 O ATOM 669 OE2 GLU A 98 -4.892 4.582 8.967 1.00 1.94 O ATOM 0 H GLU A 98 0.375 5.770 6.958 1.00 0.44 H new ATOM 0 HA GLU A 98 -1.999 4.308 6.679 1.00 0.40 H new ATOM 0 HB2 GLU A 98 -0.846 4.220 8.768 1.00 0.49 H new ATOM 0 HB3 GLU A 98 -0.716 5.964 8.883 1.00 0.49 H new ATOM 0 HG2 GLU A 98 -2.431 4.889 10.461 1.00 0.48 H new ATOM 0 HG3 GLU A 98 -3.043 6.210 9.486 1.00 0.48 H new ATOM 676 N GLY A 99 -4.017 5.725 6.662 1.00 0.39 N ATOM 677 CA GLY A 99 -5.241 6.562 6.495 1.00 0.42 C ATOM 678 C GLY A 99 -5.190 7.450 5.240 1.00 0.42 C ATOM 679 O GLY A 99 -6.062 8.271 5.034 1.00 0.46 O ATOM 0 H GLY A 99 -4.182 4.720 6.605 1.00 0.39 H new ATOM 0 HA2 GLY A 99 -6.115 5.913 6.440 1.00 0.42 H new ATOM 0 HA3 GLY A 99 -5.367 7.192 7.375 1.00 0.42 H new ATOM 683 N LEU A 100 -4.205 7.311 4.396 1.00 0.41 N ATOM 684 CA LEU A 100 -4.166 8.176 3.174 1.00 0.43 C ATOM 685 C LEU A 100 -5.206 7.665 2.163 1.00 0.42 C ATOM 686 O LEU A 100 -5.058 6.605 1.602 1.00 0.44 O ATOM 687 CB LEU A 100 -2.753 8.126 2.555 1.00 0.45 C ATOM 688 CG LEU A 100 -2.452 9.434 1.789 1.00 0.55 C ATOM 689 CD1 LEU A 100 -1.954 10.514 2.760 1.00 1.15 C ATOM 690 CD2 LEU A 100 -1.363 9.185 0.738 1.00 1.17 C ATOM 0 H LEU A 100 -3.435 6.649 4.493 1.00 0.41 H new ATOM 0 HA LEU A 100 -4.399 9.207 3.439 1.00 0.43 H new ATOM 0 HB2 LEU A 100 -2.011 7.978 3.339 1.00 0.45 H new ATOM 0 HB3 LEU A 100 -2.676 7.275 1.878 1.00 0.45 H new ATOM 0 HG LEU A 100 -3.370 9.768 1.305 1.00 0.55 H new ATOM 0 HD11 LEU A 100 -1.745 11.431 2.209 1.00 1.15 H new ATOM 0 HD12 LEU A 100 -2.719 10.709 3.511 1.00 1.15 H new ATOM 0 HD13 LEU A 100 -1.043 10.170 3.250 1.00 1.15 H new ATOM 0 HD21 LEU A 100 -1.156 10.111 0.202 1.00 1.17 H new ATOM 0 HD22 LEU A 100 -0.454 8.840 1.231 1.00 1.17 H new ATOM 0 HD23 LEU A 100 -1.704 8.427 0.033 1.00 1.17 H new ATOM 702 N ILE A 101 -6.267 8.399 1.940 1.00 0.44 N ATOM 703 CA ILE A 101 -7.312 7.920 0.981 1.00 0.45 C ATOM 704 C ILE A 101 -6.709 7.696 -0.412 1.00 0.46 C ATOM 705 O ILE A 101 -6.402 8.624 -1.133 1.00 0.49 O ATOM 706 CB ILE A 101 -8.475 8.932 0.925 1.00 0.50 C ATOM 707 CG1 ILE A 101 -9.355 8.783 2.190 1.00 0.51 C ATOM 708 CG2 ILE A 101 -9.330 8.704 -0.332 1.00 0.54 C ATOM 709 CD1 ILE A 101 -10.368 7.622 2.047 1.00 0.52 C ATOM 0 H ILE A 101 -6.455 9.302 2.376 1.00 0.44 H new ATOM 0 HA ILE A 101 -7.701 6.964 1.331 1.00 0.45 H new ATOM 0 HB ILE A 101 -8.060 9.939 0.885 1.00 0.50 H new ATOM 0 HG12 ILE A 101 -8.719 8.607 3.057 1.00 0.51 H new ATOM 0 HG13 ILE A 101 -9.892 9.714 2.372 1.00 0.51 H new ATOM 0 HG21 ILE A 101 -10.145 9.427 -0.354 1.00 0.54 H new ATOM 0 HG22 ILE A 101 -8.711 8.828 -1.221 1.00 0.54 H new ATOM 0 HG23 ILE A 101 -9.741 7.695 -0.314 1.00 0.54 H new ATOM 0 HD11 ILE A 101 -10.968 7.548 2.954 1.00 0.52 H new ATOM 0 HD12 ILE A 101 -11.021 7.812 1.195 1.00 0.52 H new ATOM 0 HD13 ILE A 101 -9.830 6.687 1.891 1.00 0.52 H new ATOM 721 N HIS A 102 -6.557 6.451 -0.785 1.00 0.47 N ATOM 722 CA HIS A 102 -5.996 6.110 -2.123 1.00 0.51 C ATOM 723 C HIS A 102 -6.978 6.525 -3.215 1.00 0.58 C ATOM 724 O HIS A 102 -8.048 5.951 -3.353 1.00 0.64 O ATOM 725 CB HIS A 102 -5.764 4.599 -2.208 1.00 0.57 C ATOM 726 CG HIS A 102 -5.058 4.268 -3.491 1.00 0.64 C ATOM 727 ND1 HIS A 102 -5.006 5.151 -4.557 1.00 1.41 N ATOM 728 CD2 HIS A 102 -4.380 3.149 -3.896 1.00 0.64 C ATOM 729 CE1 HIS A 102 -4.317 4.552 -5.544 1.00 1.36 C ATOM 730 NE2 HIS A 102 -3.912 3.328 -5.193 1.00 0.70 N ATOM 0 H HIS A 102 -6.802 5.646 -0.209 1.00 0.47 H new ATOM 0 HA HIS A 102 -5.053 6.638 -2.261 1.00 0.51 H new ATOM 0 HB2 HIS A 102 -5.170 4.264 -1.358 1.00 0.57 H new ATOM 0 HB3 HIS A 102 -6.717 4.072 -2.159 1.00 0.57 H new ATOM 0 HD2 HIS A 102 -4.231 2.262 -3.298 1.00 0.64 H new ATOM 0 HE1 HIS A 102 -4.115 5.005 -6.504 1.00 1.36 H new ATOM 0 HE2 HIS A 102 -3.375 2.667 -5.755 1.00 0.70 H new ATOM 738 N SER A 103 -6.615 7.513 -3.992 1.00 0.60 N ATOM 739 CA SER A 103 -7.503 7.983 -5.091 1.00 0.69 C ATOM 740 C SER A 103 -7.586 6.919 -6.188 1.00 0.76 C ATOM 741 O SER A 103 -8.449 6.066 -6.174 1.00 0.85 O ATOM 742 CB SER A 103 -6.940 9.277 -5.678 1.00 0.74 C ATOM 743 OG SER A 103 -7.080 10.324 -4.728 1.00 1.49 O ATOM 0 H SER A 103 -5.732 8.017 -3.909 1.00 0.60 H new ATOM 0 HA SER A 103 -8.502 8.163 -4.693 1.00 0.69 H new ATOM 0 HB2 SER A 103 -5.890 9.145 -5.938 1.00 0.74 H new ATOM 0 HB3 SER A 103 -7.467 9.532 -6.598 1.00 0.74 H new ATOM 0 HG SER A 103 -6.718 11.155 -5.101 1.00 1.49 H new ATOM 749 N GLN A 104 -6.702 6.968 -7.154 1.00 0.81 N ATOM 750 CA GLN A 104 -6.746 5.964 -8.260 1.00 0.92 C ATOM 751 C GLN A 104 -5.339 5.744 -8.829 1.00 0.93 C ATOM 752 O GLN A 104 -5.135 4.902 -9.682 1.00 1.37 O ATOM 753 CB GLN A 104 -7.664 6.477 -9.374 1.00 1.06 C ATOM 754 CG GLN A 104 -9.112 6.513 -8.878 1.00 1.76 C ATOM 755 CD GLN A 104 -10.050 6.777 -10.056 1.00 2.14 C ATOM 756 OE1 GLN A 104 -9.916 6.175 -11.104 1.00 2.64 O ATOM 757 NE2 GLN A 104 -11.004 7.660 -9.928 1.00 2.70 N ATOM 0 H GLN A 104 -5.954 7.658 -7.224 1.00 0.81 H new ATOM 0 HA GLN A 104 -7.126 5.020 -7.869 1.00 0.92 H new ATOM 0 HB2 GLN A 104 -7.352 7.474 -9.685 1.00 1.06 H new ATOM 0 HB3 GLN A 104 -7.586 5.831 -10.249 1.00 1.06 H new ATOM 0 HG2 GLN A 104 -9.368 5.567 -8.401 1.00 1.76 H new ATOM 0 HG3 GLN A 104 -9.230 7.292 -8.124 1.00 1.76 H new ATOM 0 HE21 GLN A 104 -11.117 8.165 -9.049 1.00 2.70 H new ATOM 0 HE22 GLN A 104 -11.636 7.844 -10.707 1.00 2.70 H new ATOM 766 N ARG A 105 -4.367 6.493 -8.373 1.00 0.83 N ATOM 767 CA ARG A 105 -2.971 6.325 -8.895 1.00 0.87 C ATOM 768 C ARG A 105 -1.972 6.499 -7.748 1.00 0.74 C ATOM 769 O ARG A 105 -0.777 6.362 -7.925 1.00 0.70 O ATOM 770 CB ARG A 105 -2.691 7.389 -9.961 1.00 1.06 C ATOM 771 CG ARG A 105 -3.798 7.368 -11.022 1.00 1.71 C ATOM 772 CD ARG A 105 -3.499 8.414 -12.104 1.00 1.99 C ATOM 773 NE ARG A 105 -4.225 8.058 -13.355 1.00 2.86 N ATOM 774 CZ ARG A 105 -4.374 8.947 -14.299 1.00 3.60 C ATOM 775 NH1 ARG A 105 -3.903 10.153 -14.139 1.00 3.73 N ATOM 776 NH2 ARG A 105 -4.995 8.629 -15.402 1.00 4.61 N ATOM 0 H ARG A 105 -4.477 7.215 -7.661 1.00 0.83 H new ATOM 0 HA ARG A 105 -2.868 5.330 -9.329 1.00 0.87 H new ATOM 0 HB2 ARG A 105 -2.637 8.375 -9.498 1.00 1.06 H new ATOM 0 HB3 ARG A 105 -1.724 7.203 -10.428 1.00 1.06 H new ATOM 0 HG2 ARG A 105 -3.866 6.377 -11.470 1.00 1.71 H new ATOM 0 HG3 ARG A 105 -4.763 7.576 -10.559 1.00 1.71 H new ATOM 0 HD2 ARG A 105 -3.805 9.403 -11.763 1.00 1.99 H new ATOM 0 HD3 ARG A 105 -2.427 8.460 -12.294 1.00 1.99 H new ATOM 0 HE ARG A 105 -4.606 7.119 -13.474 1.00 2.86 H new ATOM 0 HH11 ARG A 105 -3.418 10.401 -13.276 1.00 3.73 H new ATOM 0 HH12 ARG A 105 -4.019 10.848 -14.877 1.00 3.73 H new ATOM 0 HH21 ARG A 105 -5.364 7.686 -15.526 1.00 4.61 H new ATOM 0 HH22 ARG A 105 -5.112 9.323 -16.140 1.00 4.61 H new ATOM 790 N ARG A 106 -2.449 6.812 -6.578 1.00 0.71 N ATOM 791 CA ARG A 106 -1.527 7.008 -5.425 1.00 0.65 C ATOM 792 C ARG A 106 -0.676 5.752 -5.204 1.00 0.54 C ATOM 793 O ARG A 106 0.511 5.837 -4.959 1.00 0.50 O ATOM 794 CB ARG A 106 -2.344 7.303 -4.162 1.00 0.70 C ATOM 795 CG ARG A 106 -1.432 7.901 -3.073 1.00 1.01 C ATOM 796 CD ARG A 106 -1.327 9.426 -3.239 1.00 1.24 C ATOM 797 NE ARG A 106 -2.464 10.081 -2.532 1.00 1.86 N ATOM 798 CZ ARG A 106 -2.425 11.360 -2.278 1.00 2.48 C ATOM 799 NH1 ARG A 106 -1.394 12.070 -2.649 1.00 2.86 N ATOM 800 NH2 ARG A 106 -3.419 11.931 -1.653 1.00 3.29 N ATOM 0 H ARG A 106 -3.439 6.941 -6.369 1.00 0.71 H new ATOM 0 HA ARG A 106 -0.866 7.848 -5.640 1.00 0.65 H new ATOM 0 HB2 ARG A 106 -3.151 7.998 -4.395 1.00 0.70 H new ATOM 0 HB3 ARG A 106 -2.808 6.387 -3.797 1.00 0.70 H new ATOM 0 HG2 ARG A 106 -1.829 7.663 -2.086 1.00 1.01 H new ATOM 0 HG3 ARG A 106 -0.440 7.453 -3.134 1.00 1.01 H new ATOM 0 HD2 ARG A 106 -0.379 9.782 -2.835 1.00 1.24 H new ATOM 0 HD3 ARG A 106 -1.342 9.690 -4.297 1.00 1.24 H new ATOM 0 HE ARG A 106 -3.273 9.529 -2.247 1.00 1.86 H new ATOM 0 HH11 ARG A 106 -0.618 11.625 -3.138 1.00 2.86 H new ATOM 0 HH12 ARG A 106 -1.365 13.070 -2.450 1.00 2.86 H new ATOM 0 HH21 ARG A 106 -4.225 11.377 -1.364 1.00 3.29 H new ATOM 0 HH22 ARG A 106 -3.389 12.931 -1.454 1.00 3.29 H new ATOM 814 N GLN A 107 -1.265 4.587 -5.281 1.00 0.55 N ATOM 815 CA GLN A 107 -0.467 3.345 -5.065 1.00 0.52 C ATOM 816 C GLN A 107 0.602 3.231 -6.152 1.00 0.49 C ATOM 817 O GLN A 107 1.680 2.721 -5.922 1.00 0.44 O ATOM 818 CB GLN A 107 -1.384 2.118 -5.110 1.00 0.63 C ATOM 819 CG GLN A 107 -0.541 0.835 -5.087 1.00 1.11 C ATOM 820 CD GLN A 107 -1.413 -0.348 -4.660 1.00 1.53 C ATOM 821 OE1 GLN A 107 -2.048 -0.307 -3.625 1.00 2.13 O ATOM 822 NE2 GLN A 107 -1.469 -1.409 -5.418 1.00 2.12 N ATOM 0 H GLN A 107 -2.255 4.443 -5.482 1.00 0.55 H new ATOM 0 HA GLN A 107 0.012 3.392 -4.087 1.00 0.52 H new ATOM 0 HB2 GLN A 107 -2.066 2.131 -4.259 1.00 0.63 H new ATOM 0 HB3 GLN A 107 -1.998 2.144 -6.011 1.00 0.63 H new ATOM 0 HG2 GLN A 107 -0.117 0.649 -6.074 1.00 1.11 H new ATOM 0 HG3 GLN A 107 0.295 0.950 -4.398 1.00 1.11 H new ATOM 0 HE21 GLN A 107 -0.936 -1.444 -6.287 1.00 2.12 H new ATOM 0 HE22 GLN A 107 -2.046 -2.203 -5.141 1.00 2.12 H new ATOM 831 N ASP A 108 0.323 3.708 -7.333 1.00 0.56 N ATOM 832 CA ASP A 108 1.344 3.624 -8.411 1.00 0.59 C ATOM 833 C ASP A 108 2.622 4.297 -7.916 1.00 0.54 C ATOM 834 O ASP A 108 3.713 3.803 -8.114 1.00 0.54 O ATOM 835 CB ASP A 108 0.836 4.339 -9.666 1.00 0.72 C ATOM 836 CG ASP A 108 -0.515 3.750 -10.077 1.00 0.81 C ATOM 837 OD1 ASP A 108 -1.081 3.011 -9.290 1.00 1.33 O ATOM 838 OD2 ASP A 108 -0.960 4.050 -11.173 1.00 1.42 O ATOM 0 H ASP A 108 -0.559 4.148 -7.596 1.00 0.56 H new ATOM 0 HA ASP A 108 1.540 2.581 -8.659 1.00 0.59 H new ATOM 0 HB2 ASP A 108 0.736 5.407 -9.473 1.00 0.72 H new ATOM 0 HB3 ASP A 108 1.555 4.228 -10.477 1.00 0.72 H new ATOM 843 N ILE A 109 2.492 5.416 -7.258 1.00 0.55 N ATOM 844 CA ILE A 109 3.699 6.117 -6.736 1.00 0.54 C ATOM 845 C ILE A 109 4.399 5.217 -5.714 1.00 0.47 C ATOM 846 O ILE A 109 5.608 5.098 -5.701 1.00 0.53 O ATOM 847 CB ILE A 109 3.286 7.427 -6.056 1.00 0.59 C ATOM 848 CG1 ILE A 109 2.340 8.212 -6.972 1.00 0.70 C ATOM 849 CG2 ILE A 109 4.533 8.267 -5.776 1.00 0.63 C ATOM 850 CD1 ILE A 109 1.833 9.456 -6.241 1.00 1.47 C ATOM 0 H ILE A 109 1.603 5.875 -7.059 1.00 0.55 H new ATOM 0 HA ILE A 109 4.375 6.338 -7.562 1.00 0.54 H new ATOM 0 HB ILE A 109 2.776 7.202 -5.120 1.00 0.59 H new ATOM 0 HG12 ILE A 109 2.859 8.501 -7.886 1.00 0.70 H new ATOM 0 HG13 ILE A 109 1.500 7.584 -7.268 1.00 0.70 H new ATOM 0 HG21 ILE A 109 4.242 9.200 -5.292 1.00 0.63 H new ATOM 0 HG22 ILE A 109 5.206 7.713 -5.121 1.00 0.63 H new ATOM 0 HG23 ILE A 109 5.041 8.488 -6.715 1.00 0.63 H new ATOM 0 HD11 ILE A 109 1.161 10.013 -6.894 1.00 1.47 H new ATOM 0 HD12 ILE A 109 1.298 9.156 -5.340 1.00 1.47 H new ATOM 0 HD13 ILE A 109 2.679 10.087 -5.968 1.00 1.47 H new ATOM 862 N LEU A 110 3.646 4.584 -4.856 1.00 0.43 N ATOM 863 CA LEU A 110 4.262 3.692 -3.832 1.00 0.39 C ATOM 864 C LEU A 110 5.134 2.643 -4.528 1.00 0.38 C ATOM 865 O LEU A 110 6.346 2.698 -4.479 1.00 0.38 O ATOM 866 CB LEU A 110 3.146 2.996 -3.035 1.00 0.42 C ATOM 867 CG LEU A 110 3.733 1.950 -2.075 1.00 0.44 C ATOM 868 CD1 LEU A 110 4.769 2.603 -1.150 1.00 0.56 C ATOM 869 CD2 LEU A 110 2.599 1.356 -1.233 1.00 0.66 C ATOM 0 H LEU A 110 2.629 4.646 -4.820 1.00 0.43 H new ATOM 0 HA LEU A 110 4.882 4.279 -3.154 1.00 0.39 H new ATOM 0 HB2 LEU A 110 2.579 3.737 -2.471 1.00 0.42 H new ATOM 0 HB3 LEU A 110 2.448 2.516 -3.721 1.00 0.42 H new ATOM 0 HG LEU A 110 4.222 1.165 -2.651 1.00 0.44 H new ATOM 0 HD11 LEU A 110 5.178 1.852 -0.474 1.00 0.56 H new ATOM 0 HD12 LEU A 110 5.574 3.029 -1.749 1.00 0.56 H new ATOM 0 HD13 LEU A 110 4.292 3.392 -0.569 1.00 0.56 H new ATOM 0 HD21 LEU A 110 3.006 0.612 -0.548 1.00 0.66 H new ATOM 0 HD22 LEU A 110 2.116 2.149 -0.662 1.00 0.66 H new ATOM 0 HD23 LEU A 110 1.868 0.884 -1.889 1.00 0.66 H new ATOM 881 N ASP A 111 4.525 1.686 -5.169 1.00 0.40 N ATOM 882 CA ASP A 111 5.311 0.624 -5.861 1.00 0.42 C ATOM 883 C ASP A 111 6.359 1.253 -6.785 1.00 0.43 C ATOM 884 O ASP A 111 7.478 0.789 -6.869 1.00 0.42 O ATOM 885 CB ASP A 111 4.363 -0.250 -6.685 1.00 0.50 C ATOM 886 CG ASP A 111 3.561 -1.158 -5.751 1.00 0.59 C ATOM 887 OD1 ASP A 111 3.375 -0.780 -4.606 1.00 1.30 O ATOM 888 OD2 ASP A 111 3.146 -2.215 -6.195 1.00 1.19 O ATOM 0 H ASP A 111 3.512 1.592 -5.245 1.00 0.40 H new ATOM 0 HA ASP A 111 5.821 0.016 -5.114 1.00 0.42 H new ATOM 0 HB2 ASP A 111 3.688 0.377 -7.267 1.00 0.50 H new ATOM 0 HB3 ASP A 111 4.931 -0.852 -7.395 1.00 0.50 H new ATOM 893 N LEU A 112 6.007 2.297 -7.486 1.00 0.48 N ATOM 894 CA LEU A 112 6.991 2.936 -8.408 1.00 0.52 C ATOM 895 C LEU A 112 8.162 3.491 -7.596 1.00 0.48 C ATOM 896 O LEU A 112 9.310 3.243 -7.904 1.00 0.47 O ATOM 897 CB LEU A 112 6.302 4.069 -9.180 1.00 0.60 C ATOM 898 CG LEU A 112 7.261 4.692 -10.211 1.00 0.70 C ATOM 899 CD1 LEU A 112 7.490 3.728 -11.386 1.00 1.45 C ATOM 900 CD2 LEU A 112 6.648 5.995 -10.733 1.00 1.26 C ATOM 0 H LEU A 112 5.086 2.734 -7.461 1.00 0.48 H new ATOM 0 HA LEU A 112 7.367 2.198 -9.116 1.00 0.52 H new ATOM 0 HB2 LEU A 112 5.417 3.684 -9.687 1.00 0.60 H new ATOM 0 HB3 LEU A 112 5.962 4.835 -8.483 1.00 0.60 H new ATOM 0 HG LEU A 112 8.220 4.891 -9.733 1.00 0.70 H new ATOM 0 HD11 LEU A 112 8.170 4.185 -12.105 1.00 1.45 H new ATOM 0 HD12 LEU A 112 7.924 2.799 -11.015 1.00 1.45 H new ATOM 0 HD13 LEU A 112 6.538 3.515 -11.872 1.00 1.45 H new ATOM 0 HD21 LEU A 112 7.319 6.445 -11.464 1.00 1.26 H new ATOM 0 HD22 LEU A 112 5.688 5.783 -11.204 1.00 1.26 H new ATOM 0 HD23 LEU A 112 6.500 6.686 -9.903 1.00 1.26 H new ATOM 912 N TRP A 113 7.894 4.239 -6.564 1.00 0.48 N ATOM 913 CA TRP A 113 9.013 4.794 -5.753 1.00 0.48 C ATOM 914 C TRP A 113 9.964 3.658 -5.378 1.00 0.43 C ATOM 915 O TRP A 113 11.163 3.761 -5.540 1.00 0.45 O ATOM 916 CB TRP A 113 8.455 5.446 -4.485 1.00 0.52 C ATOM 917 CG TRP A 113 9.581 5.845 -3.582 1.00 0.56 C ATOM 918 CD1 TRP A 113 10.331 6.962 -3.721 1.00 0.66 C ATOM 919 CD2 TRP A 113 10.095 5.150 -2.409 1.00 0.55 C ATOM 920 NE1 TRP A 113 11.270 6.999 -2.706 1.00 0.70 N ATOM 921 CE2 TRP A 113 11.164 5.904 -1.871 1.00 0.65 C ATOM 922 CE3 TRP A 113 9.739 3.952 -1.766 1.00 0.51 C ATOM 923 CZ2 TRP A 113 11.856 5.482 -0.734 1.00 0.70 C ATOM 924 CZ3 TRP A 113 10.432 3.524 -0.622 1.00 0.58 C ATOM 925 CH2 TRP A 113 11.488 4.288 -0.107 1.00 0.67 C ATOM 0 H TRP A 113 6.957 4.489 -6.248 1.00 0.48 H new ATOM 0 HA TRP A 113 9.551 5.546 -6.330 1.00 0.48 H new ATOM 0 HB2 TRP A 113 7.859 6.320 -4.747 1.00 0.52 H new ATOM 0 HB3 TRP A 113 7.792 4.751 -3.969 1.00 0.52 H new ATOM 0 HD1 TRP A 113 10.216 7.704 -4.497 1.00 0.66 H new ATOM 0 HE1 TRP A 113 11.957 7.744 -2.589 1.00 0.70 H new ATOM 0 HE3 TRP A 113 8.926 3.356 -2.155 1.00 0.51 H new ATOM 0 HZ2 TRP A 113 12.670 6.074 -0.342 1.00 0.70 H new ATOM 0 HZ3 TRP A 113 10.150 2.601 -0.137 1.00 0.58 H new ATOM 0 HH2 TRP A 113 12.017 3.955 0.774 1.00 0.67 H new ATOM 936 N ILE A 114 9.439 2.569 -4.892 1.00 0.39 N ATOM 937 CA ILE A 114 10.317 1.430 -4.526 1.00 0.37 C ATOM 938 C ILE A 114 11.123 1.018 -5.763 1.00 0.39 C ATOM 939 O ILE A 114 12.218 0.501 -5.663 1.00 0.44 O ATOM 940 CB ILE A 114 9.461 0.250 -4.056 1.00 0.37 C ATOM 941 CG1 ILE A 114 8.558 0.704 -2.907 1.00 0.37 C ATOM 942 CG2 ILE A 114 10.369 -0.881 -3.569 1.00 0.42 C ATOM 943 CD1 ILE A 114 7.653 -0.453 -2.479 1.00 1.00 C ATOM 0 H ILE A 114 8.442 2.421 -4.734 1.00 0.39 H new ATOM 0 HA ILE A 114 10.991 1.723 -3.721 1.00 0.37 H new ATOM 0 HB ILE A 114 8.850 -0.107 -4.885 1.00 0.37 H new ATOM 0 HG12 ILE A 114 9.164 1.036 -2.064 1.00 0.37 H new ATOM 0 HG13 ILE A 114 7.954 1.555 -3.220 1.00 0.37 H new ATOM 0 HG21 ILE A 114 9.758 -1.720 -3.235 1.00 0.42 H new ATOM 0 HG22 ILE A 114 11.016 -1.205 -4.384 1.00 0.42 H new ATOM 0 HG23 ILE A 114 10.981 -0.525 -2.740 1.00 0.42 H new ATOM 0 HD11 ILE A 114 7.010 -0.129 -1.661 1.00 1.00 H new ATOM 0 HD12 ILE A 114 7.037 -0.764 -3.323 1.00 1.00 H new ATOM 0 HD13 ILE A 114 8.266 -1.291 -2.148 1.00 1.00 H new ATOM 955 N TYR A 115 10.573 1.233 -6.931 1.00 0.40 N ATOM 956 CA TYR A 115 11.279 0.847 -8.187 1.00 0.46 C ATOM 957 C TYR A 115 12.561 1.676 -8.378 1.00 0.51 C ATOM 958 O TYR A 115 13.658 1.168 -8.261 1.00 0.54 O ATOM 959 CB TYR A 115 10.336 1.069 -9.380 1.00 0.53 C ATOM 960 CG TYR A 115 10.770 0.217 -10.556 1.00 0.59 C ATOM 961 CD1 TYR A 115 10.670 -1.180 -10.484 1.00 0.56 C ATOM 962 CD2 TYR A 115 11.265 0.823 -11.718 1.00 0.74 C ATOM 963 CE1 TYR A 115 11.066 -1.966 -11.573 1.00 0.65 C ATOM 964 CE2 TYR A 115 11.661 0.035 -12.805 1.00 0.82 C ATOM 965 CZ TYR A 115 11.561 -1.359 -12.733 1.00 0.77 C ATOM 966 OH TYR A 115 11.949 -2.135 -13.806 1.00 0.87 O ATOM 0 H TYR A 115 9.658 1.663 -7.068 1.00 0.40 H new ATOM 0 HA TYR A 115 11.562 -0.204 -8.122 1.00 0.46 H new ATOM 0 HB2 TYR A 115 9.314 0.817 -9.097 1.00 0.53 H new ATOM 0 HB3 TYR A 115 10.338 2.121 -9.664 1.00 0.53 H new ATOM 0 HD1 TYR A 115 10.288 -1.649 -9.589 1.00 0.56 H new ATOM 0 HD2 TYR A 115 11.341 1.899 -11.775 1.00 0.74 H new ATOM 0 HE1 TYR A 115 10.989 -3.042 -11.518 1.00 0.65 H new ATOM 0 HE2 TYR A 115 12.044 0.503 -13.700 1.00 0.82 H new ATOM 0 HH TYR A 115 12.267 -1.556 -14.530 1.00 0.87 H new ATOM 976 N HIS A 116 12.432 2.938 -8.700 1.00 0.58 N ATOM 977 CA HIS A 116 13.647 3.784 -8.932 1.00 0.67 C ATOM 978 C HIS A 116 14.466 3.949 -7.643 1.00 0.67 C ATOM 979 O HIS A 116 15.240 4.876 -7.518 1.00 0.81 O ATOM 980 CB HIS A 116 13.220 5.160 -9.463 1.00 0.79 C ATOM 981 CG HIS A 116 12.630 5.998 -8.358 1.00 1.20 C ATOM 982 ND1 HIS A 116 13.417 6.633 -7.411 1.00 1.99 N ATOM 983 CD2 HIS A 116 11.333 6.327 -8.051 1.00 2.05 C ATOM 984 CE1 HIS A 116 12.593 7.308 -6.587 1.00 2.71 C ATOM 985 NE2 HIS A 116 11.312 7.155 -6.933 1.00 2.74 N ATOM 0 H HIS A 116 11.540 3.421 -8.813 1.00 0.58 H new ATOM 0 HA HIS A 116 14.278 3.286 -9.668 1.00 0.67 H new ATOM 0 HB2 HIS A 116 14.080 5.672 -9.894 1.00 0.79 H new ATOM 0 HB3 HIS A 116 12.489 5.036 -10.262 1.00 0.79 H new ATOM 0 HD1 HIS A 116 14.434 6.596 -7.349 1.00 1.99 H new ATOM 0 HD2 HIS A 116 10.461 5.994 -8.595 1.00 2.05 H new ATOM 0 HE1 HIS A 116 12.927 7.901 -5.748 1.00 2.71 H new ATOM 993 N THR A 117 14.307 3.064 -6.687 1.00 0.63 N ATOM 994 CA THR A 117 15.091 3.168 -5.412 1.00 0.68 C ATOM 995 C THR A 117 15.790 1.840 -5.118 1.00 0.66 C ATOM 996 O THR A 117 16.948 1.647 -5.430 1.00 0.73 O ATOM 997 CB THR A 117 14.151 3.495 -4.256 1.00 0.80 C ATOM 998 OG1 THR A 117 13.045 2.611 -4.292 1.00 0.85 O ATOM 999 CG2 THR A 117 13.661 4.937 -4.383 1.00 0.91 C ATOM 0 H THR A 117 13.666 2.272 -6.734 1.00 0.63 H new ATOM 0 HA THR A 117 15.835 3.957 -5.521 1.00 0.68 H new ATOM 0 HB THR A 117 14.681 3.380 -3.310 1.00 0.80 H new ATOM 0 HG1 THR A 117 12.222 3.123 -4.438 1.00 0.85 H new ATOM 0 HG21 THR A 117 12.990 5.167 -3.556 1.00 0.91 H new ATOM 0 HG22 THR A 117 14.514 5.615 -4.358 1.00 0.91 H new ATOM 0 HG23 THR A 117 13.129 5.059 -5.327 1.00 0.91 H new ATOM 1007 N GLN A 118 15.090 0.930 -4.494 1.00 0.73 N ATOM 1008 CA GLN A 118 15.694 -0.385 -4.143 1.00 0.83 C ATOM 1009 C GLN A 118 15.632 -1.337 -5.342 1.00 0.72 C ATOM 1010 O GLN A 118 16.310 -2.343 -5.379 1.00 0.91 O ATOM 1011 CB GLN A 118 14.908 -0.986 -2.982 1.00 1.06 C ATOM 1012 CG GLN A 118 14.975 -0.047 -1.776 1.00 1.48 C ATOM 1013 CD GLN A 118 14.050 -0.557 -0.668 1.00 2.12 C ATOM 1014 OE1 GLN A 118 14.279 -0.296 0.497 1.00 2.89 O ATOM 1015 NE2 GLN A 118 13.004 -1.278 -0.977 1.00 2.13 N ATOM 0 H GLN A 118 14.117 1.044 -4.211 1.00 0.73 H new ATOM 0 HA GLN A 118 16.738 -0.241 -3.864 1.00 0.83 H new ATOM 0 HB2 GLN A 118 13.870 -1.144 -3.275 1.00 1.06 H new ATOM 0 HB3 GLN A 118 15.317 -1.962 -2.719 1.00 1.06 H new ATOM 0 HG2 GLN A 118 15.999 0.014 -1.408 1.00 1.48 H new ATOM 0 HG3 GLN A 118 14.682 0.960 -2.072 1.00 1.48 H new ATOM 0 HE21 GLN A 118 12.808 -1.500 -1.953 1.00 2.13 H new ATOM 0 HE22 GLN A 118 12.384 -1.619 -0.242 1.00 2.13 H new ATOM 1024 N GLY A 119 14.837 -1.024 -6.325 1.00 0.86 N ATOM 1025 CA GLY A 119 14.749 -1.908 -7.522 1.00 0.85 C ATOM 1026 C GLY A 119 13.937 -3.170 -7.215 1.00 0.65 C ATOM 1027 O GLY A 119 13.954 -4.118 -7.974 1.00 0.67 O ATOM 0 H GLY A 119 14.244 -0.195 -6.353 1.00 0.86 H new ATOM 0 HA2 GLY A 119 14.286 -1.365 -8.346 1.00 0.85 H new ATOM 0 HA3 GLY A 119 15.751 -2.187 -7.847 1.00 0.85 H new ATOM 1031 N TYR A 120 13.217 -3.205 -6.126 1.00 0.54 N ATOM 1032 CA TYR A 120 12.412 -4.427 -5.825 1.00 0.44 C ATOM 1033 C TYR A 120 11.216 -4.467 -6.779 1.00 0.49 C ATOM 1034 O TYR A 120 10.531 -3.483 -6.975 1.00 0.70 O ATOM 1035 CB TYR A 120 11.904 -4.387 -4.370 1.00 0.48 C ATOM 1036 CG TYR A 120 12.917 -5.013 -3.432 1.00 0.52 C ATOM 1037 CD1 TYR A 120 13.190 -6.383 -3.511 1.00 0.58 C ATOM 1038 CD2 TYR A 120 13.576 -4.226 -2.480 1.00 0.60 C ATOM 1039 CE1 TYR A 120 14.121 -6.964 -2.639 1.00 0.71 C ATOM 1040 CE2 TYR A 120 14.505 -4.806 -1.609 1.00 0.71 C ATOM 1041 CZ TYR A 120 14.777 -6.174 -1.689 1.00 0.75 C ATOM 1042 OH TYR A 120 15.694 -6.746 -0.831 1.00 0.91 O ATOM 0 H TYR A 120 13.150 -2.453 -5.440 1.00 0.54 H new ATOM 0 HA TYR A 120 13.032 -5.314 -5.954 1.00 0.44 H new ATOM 0 HB2 TYR A 120 11.715 -3.355 -4.074 1.00 0.48 H new ATOM 0 HB3 TYR A 120 10.955 -4.918 -4.296 1.00 0.48 H new ATOM 0 HD1 TYR A 120 12.683 -6.993 -4.244 1.00 0.58 H new ATOM 0 HD2 TYR A 120 13.367 -3.168 -2.418 1.00 0.60 H new ATOM 0 HE1 TYR A 120 14.332 -8.021 -2.701 1.00 0.71 H new ATOM 0 HE2 TYR A 120 15.011 -4.196 -0.875 1.00 0.71 H new ATOM 0 HH TYR A 120 16.058 -6.058 -0.236 1.00 0.91 H new ATOM 1052 N PHE A 121 10.955 -5.600 -7.365 1.00 0.48 N ATOM 1053 CA PHE A 121 9.798 -5.708 -8.298 1.00 0.57 C ATOM 1054 C PHE A 121 8.524 -5.919 -7.457 1.00 0.55 C ATOM 1055 O PHE A 121 8.532 -6.702 -6.527 1.00 0.59 O ATOM 1056 CB PHE A 121 10.015 -6.912 -9.229 1.00 0.68 C ATOM 1057 CG PHE A 121 9.145 -6.781 -10.459 1.00 1.42 C ATOM 1058 CD1 PHE A 121 7.806 -7.185 -10.416 1.00 2.33 C ATOM 1059 CD2 PHE A 121 9.683 -6.263 -11.644 1.00 2.32 C ATOM 1060 CE1 PHE A 121 7.002 -7.068 -11.557 1.00 3.43 C ATOM 1061 CE2 PHE A 121 8.880 -6.147 -12.785 1.00 3.44 C ATOM 1062 CZ PHE A 121 7.540 -6.551 -12.741 1.00 3.85 C ATOM 0 H PHE A 121 11.493 -6.458 -7.239 1.00 0.48 H new ATOM 0 HA PHE A 121 9.701 -4.805 -8.901 1.00 0.57 H new ATOM 0 HB2 PHE A 121 11.064 -6.972 -9.520 1.00 0.68 H new ATOM 0 HB3 PHE A 121 9.777 -7.836 -8.702 1.00 0.68 H new ATOM 0 HD1 PHE A 121 7.392 -7.587 -9.503 1.00 2.33 H new ATOM 0 HD2 PHE A 121 10.717 -5.953 -11.678 1.00 2.32 H new ATOM 0 HE1 PHE A 121 5.968 -7.377 -11.523 1.00 3.43 H new ATOM 0 HE2 PHE A 121 9.294 -5.746 -13.699 1.00 3.44 H new ATOM 0 HZ PHE A 121 6.921 -6.464 -13.622 1.00 3.85 H new ATOM 1072 N PRO A 122 7.442 -5.233 -7.750 1.00 0.64 N ATOM 1073 CA PRO A 122 6.181 -5.380 -6.961 1.00 0.67 C ATOM 1074 C PRO A 122 5.493 -6.734 -7.195 1.00 0.73 C ATOM 1075 O PRO A 122 4.287 -6.816 -7.313 1.00 1.19 O ATOM 1076 CB PRO A 122 5.309 -4.213 -7.453 1.00 0.80 C ATOM 1077 CG PRO A 122 5.784 -3.942 -8.844 1.00 1.05 C ATOM 1078 CD PRO A 122 7.284 -4.252 -8.846 1.00 0.87 C ATOM 0 HA PRO A 122 6.365 -5.354 -5.887 1.00 0.67 H new ATOM 0 HB2 PRO A 122 4.251 -4.477 -7.440 1.00 0.80 H new ATOM 0 HB3 PRO A 122 5.426 -3.336 -6.817 1.00 0.80 H new ATOM 0 HG2 PRO A 122 5.256 -4.566 -9.565 1.00 1.05 H new ATOM 0 HG3 PRO A 122 5.600 -2.905 -9.124 1.00 1.05 H new ATOM 0 HD2 PRO A 122 7.606 -4.665 -9.802 1.00 0.87 H new ATOM 0 HD3 PRO A 122 7.878 -3.355 -8.669 1.00 0.87 H new ATOM 1086 N ASP A 123 6.247 -7.797 -7.239 1.00 0.56 N ATOM 1087 CA ASP A 123 5.628 -9.139 -7.439 1.00 0.64 C ATOM 1088 C ASP A 123 5.151 -9.663 -6.085 1.00 0.58 C ATOM 1089 O ASP A 123 4.684 -10.779 -5.965 1.00 0.65 O ATOM 1090 CB ASP A 123 6.665 -10.106 -8.018 1.00 0.74 C ATOM 1091 CG ASP A 123 7.928 -10.077 -7.156 1.00 0.77 C ATOM 1092 OD1 ASP A 123 7.796 -10.141 -5.944 1.00 1.38 O ATOM 1093 OD2 ASP A 123 9.007 -9.991 -7.721 1.00 1.27 O ATOM 0 H ASP A 123 7.263 -7.796 -7.145 1.00 0.56 H new ATOM 0 HA ASP A 123 4.789 -9.059 -8.130 1.00 0.64 H new ATOM 0 HB2 ASP A 123 6.257 -11.116 -8.050 1.00 0.74 H new ATOM 0 HB3 ASP A 123 6.906 -9.826 -9.044 1.00 0.74 H new ATOM 1098 N TRP A 124 5.279 -8.858 -5.059 1.00 0.53 N ATOM 1099 CA TRP A 124 4.854 -9.282 -3.687 1.00 0.52 C ATOM 1100 C TRP A 124 3.569 -8.566 -3.297 1.00 0.51 C ATOM 1101 O TRP A 124 2.795 -9.035 -2.486 1.00 0.55 O ATOM 1102 CB TRP A 124 5.950 -8.902 -2.695 1.00 0.49 C ATOM 1103 CG TRP A 124 6.220 -7.435 -2.817 1.00 0.43 C ATOM 1104 CD1 TRP A 124 7.125 -6.876 -3.656 1.00 0.44 C ATOM 1105 CD2 TRP A 124 5.587 -6.333 -2.106 1.00 0.42 C ATOM 1106 NE1 TRP A 124 7.091 -5.503 -3.497 1.00 0.42 N ATOM 1107 CE2 TRP A 124 6.159 -5.119 -2.555 1.00 0.41 C ATOM 1108 CE3 TRP A 124 4.583 -6.268 -1.123 1.00 0.51 C ATOM 1109 CZ2 TRP A 124 5.749 -3.886 -2.049 1.00 0.46 C ATOM 1110 CZ3 TRP A 124 4.168 -5.027 -0.611 1.00 0.58 C ATOM 1111 CH2 TRP A 124 4.750 -3.839 -1.073 1.00 0.55 C ATOM 0 H TRP A 124 5.664 -7.915 -5.114 1.00 0.53 H new ATOM 0 HA TRP A 124 4.685 -10.359 -3.676 1.00 0.52 H new ATOM 0 HB2 TRP A 124 5.641 -9.146 -1.679 1.00 0.49 H new ATOM 0 HB3 TRP A 124 6.857 -9.471 -2.898 1.00 0.49 H new ATOM 0 HD1 TRP A 124 7.767 -7.414 -4.337 1.00 0.44 H new ATOM 0 HE1 TRP A 124 7.683 -4.853 -4.014 1.00 0.42 H new ATOM 0 HE3 TRP A 124 4.128 -7.178 -0.759 1.00 0.51 H new ATOM 0 HZ2 TRP A 124 6.201 -2.973 -2.409 1.00 0.46 H new ATOM 0 HZ3 TRP A 124 3.396 -4.989 0.143 1.00 0.58 H new ATOM 0 HH2 TRP A 124 4.427 -2.888 -0.675 1.00 0.55 H new ATOM 1122 N GLN A 125 3.354 -7.430 -3.865 1.00 0.53 N ATOM 1123 CA GLN A 125 2.129 -6.643 -3.539 1.00 0.60 C ATOM 1124 C GLN A 125 0.913 -7.275 -4.216 1.00 0.66 C ATOM 1125 O GLN A 125 0.824 -7.337 -5.426 1.00 0.84 O ATOM 1126 CB GLN A 125 2.303 -5.204 -4.030 1.00 0.69 C ATOM 1127 CG GLN A 125 1.234 -4.314 -3.392 1.00 1.56 C ATOM 1128 CD GLN A 125 1.311 -2.911 -3.997 1.00 2.18 C ATOM 1129 OE1 GLN A 125 1.023 -2.723 -5.163 1.00 2.78 O ATOM 1130 NE2 GLN A 125 1.691 -1.912 -3.250 1.00 2.82 N ATOM 0 H GLN A 125 3.974 -6.998 -4.550 1.00 0.53 H new ATOM 0 HA GLN A 125 1.976 -6.642 -2.460 1.00 0.60 H new ATOM 0 HB2 GLN A 125 3.297 -4.838 -3.772 1.00 0.69 H new ATOM 0 HB3 GLN A 125 2.221 -5.167 -5.116 1.00 0.69 H new ATOM 0 HG2 GLN A 125 0.244 -4.740 -3.559 1.00 1.56 H new ATOM 0 HG3 GLN A 125 1.383 -4.265 -2.313 1.00 1.56 H new ATOM 0 HE21 GLN A 125 1.933 -2.070 -2.272 1.00 2.82 H new ATOM 0 HE22 GLN A 125 1.747 -0.973 -3.644 1.00 2.82 H new ATOM 1139 N ASN A 126 -0.030 -7.739 -3.441 1.00 0.64 N ATOM 1140 CA ASN A 126 -1.247 -8.363 -4.033 1.00 0.72 C ATOM 1141 C ASN A 126 -2.387 -8.314 -3.013 1.00 0.69 C ATOM 1142 O ASN A 126 -2.202 -7.914 -1.880 1.00 1.22 O ATOM 1143 CB ASN A 126 -0.948 -9.817 -4.402 1.00 0.84 C ATOM 1144 CG ASN A 126 0.103 -9.857 -5.512 1.00 0.89 C ATOM 1145 OD1 ASN A 126 -0.230 -9.949 -6.677 1.00 1.53 O ATOM 1146 ND2 ASN A 126 1.367 -9.792 -5.198 1.00 0.88 N ATOM 0 H ASN A 126 -0.009 -7.712 -2.422 1.00 0.64 H new ATOM 0 HA ASN A 126 -1.539 -7.818 -4.931 1.00 0.72 H new ATOM 0 HB2 ASN A 126 -0.589 -10.359 -3.527 1.00 0.84 H new ATOM 0 HB3 ASN A 126 -1.860 -10.314 -4.732 1.00 0.84 H new ATOM 0 HD21 ASN A 126 2.076 -9.818 -5.930 1.00 0.88 H new ATOM 0 HD22 ASN A 126 1.646 -9.715 -4.220 1.00 0.88 H new ATOM 1153 N TYR A 127 -3.565 -8.723 -3.405 1.00 0.69 N ATOM 1154 CA TYR A 127 -4.725 -8.697 -2.464 1.00 0.61 C ATOM 1155 C TYR A 127 -5.820 -9.622 -2.997 1.00 0.63 C ATOM 1156 O TYR A 127 -5.839 -9.974 -4.161 1.00 0.75 O ATOM 1157 CB TYR A 127 -5.297 -7.270 -2.364 1.00 0.65 C ATOM 1158 CG TYR A 127 -4.185 -6.263 -2.197 1.00 0.79 C ATOM 1159 CD1 TYR A 127 -3.562 -5.715 -3.325 1.00 0.93 C ATOM 1160 CD2 TYR A 127 -3.777 -5.875 -0.916 1.00 0.98 C ATOM 1161 CE1 TYR A 127 -2.532 -4.781 -3.173 1.00 1.14 C ATOM 1162 CE2 TYR A 127 -2.745 -4.940 -0.762 1.00 1.19 C ATOM 1163 CZ TYR A 127 -2.122 -4.394 -1.891 1.00 1.23 C ATOM 1164 OH TYR A 127 -1.105 -3.474 -1.740 1.00 1.48 O ATOM 0 H TYR A 127 -3.775 -9.075 -4.339 1.00 0.69 H new ATOM 0 HA TYR A 127 -4.390 -9.025 -1.480 1.00 0.61 H new ATOM 0 HB2 TYR A 127 -5.872 -7.039 -3.261 1.00 0.65 H new ATOM 0 HB3 TYR A 127 -5.983 -7.206 -1.520 1.00 0.65 H new ATOM 0 HD1 TYR A 127 -3.877 -6.014 -4.314 1.00 0.93 H new ATOM 0 HD2 TYR A 127 -4.258 -6.296 -0.046 1.00 0.98 H new ATOM 0 HE1 TYR A 127 -2.053 -4.358 -4.044 1.00 1.14 H new ATOM 0 HE2 TYR A 127 -2.430 -4.641 0.227 1.00 1.19 H new ATOM 0 HH TYR A 127 -0.946 -3.316 -0.786 1.00 1.48 H new ATOM 1174 N THR A 128 -6.730 -10.024 -2.154 1.00 0.62 N ATOM 1175 CA THR A 128 -7.818 -10.933 -2.609 1.00 0.68 C ATOM 1176 C THR A 128 -8.684 -10.210 -3.654 1.00 0.75 C ATOM 1177 O THR A 128 -8.843 -9.006 -3.596 1.00 0.97 O ATOM 1178 CB THR A 128 -8.684 -11.318 -1.406 1.00 0.86 C ATOM 1179 OG1 THR A 128 -9.251 -10.144 -0.841 1.00 1.22 O ATOM 1180 CG2 THR A 128 -7.820 -12.023 -0.360 1.00 0.90 C ATOM 0 H THR A 128 -6.767 -9.762 -1.169 1.00 0.62 H new ATOM 0 HA THR A 128 -7.388 -11.830 -3.054 1.00 0.68 H new ATOM 0 HB THR A 128 -9.480 -11.989 -1.728 1.00 0.86 H new ATOM 0 HG1 THR A 128 -9.807 -10.387 -0.072 1.00 1.22 H new ATOM 0 HG21 THR A 128 -8.436 -12.297 0.496 1.00 0.90 H new ATOM 0 HG22 THR A 128 -7.383 -12.922 -0.795 1.00 0.90 H new ATOM 0 HG23 THR A 128 -7.024 -11.353 -0.035 1.00 0.90 H new ATOM 1249 N ARG A 134 -9.941 -5.099 1.325 1.00 0.51 N ATOM 1250 CA ARG A 134 -8.993 -5.955 0.554 1.00 0.49 C ATOM 1251 C ARG A 134 -7.818 -6.365 1.455 1.00 0.40 C ATOM 1252 O ARG A 134 -6.995 -5.552 1.827 1.00 0.38 O ATOM 1253 CB ARG A 134 -8.486 -5.158 -0.678 1.00 0.58 C ATOM 1254 CG ARG A 134 -8.847 -5.888 -1.981 1.00 1.06 C ATOM 1255 CD ARG A 134 -8.404 -5.051 -3.186 1.00 1.37 C ATOM 1256 NE ARG A 134 -9.408 -3.982 -3.444 1.00 1.86 N ATOM 1257 CZ ARG A 134 -9.101 -2.971 -4.210 1.00 2.52 C ATOM 1258 NH1 ARG A 134 -7.912 -2.894 -4.742 1.00 2.83 N ATOM 1259 NH2 ARG A 134 -9.982 -2.037 -4.444 1.00 3.36 N ATOM 0 HA ARG A 134 -9.496 -6.860 0.212 1.00 0.49 H new ATOM 0 HB2 ARG A 134 -8.927 -4.161 -0.679 1.00 0.58 H new ATOM 0 HB3 ARG A 134 -7.406 -5.029 -0.615 1.00 0.58 H new ATOM 0 HG2 ARG A 134 -8.363 -6.864 -2.007 1.00 1.06 H new ATOM 0 HG3 ARG A 134 -9.922 -6.064 -2.024 1.00 1.06 H new ATOM 0 HD2 ARG A 134 -7.426 -4.608 -2.995 1.00 1.37 H new ATOM 0 HD3 ARG A 134 -8.300 -5.687 -4.065 1.00 1.37 H new ATOM 0 HE ARG A 134 -10.335 -4.040 -3.022 1.00 1.86 H new ATOM 0 HH11 ARG A 134 -7.223 -3.624 -4.559 1.00 2.83 H new ATOM 0 HH12 ARG A 134 -7.671 -2.104 -5.341 1.00 2.83 H new ATOM 0 HH21 ARG A 134 -10.911 -2.097 -4.028 1.00 3.36 H new ATOM 0 HH22 ARG A 134 -9.741 -1.247 -5.043 1.00 3.36 H new ATOM 1273 N TYR A 135 -7.731 -7.624 1.800 1.00 0.41 N ATOM 1274 CA TYR A 135 -6.609 -8.092 2.666 1.00 0.39 C ATOM 1275 C TYR A 135 -5.410 -8.462 1.777 1.00 0.36 C ATOM 1276 O TYR A 135 -5.586 -8.878 0.649 1.00 0.39 O ATOM 1277 CB TYR A 135 -7.063 -9.322 3.454 1.00 0.46 C ATOM 1278 CG TYR A 135 -8.122 -8.915 4.453 1.00 0.50 C ATOM 1279 CD1 TYR A 135 -9.437 -8.699 4.025 1.00 0.72 C ATOM 1280 CD2 TYR A 135 -7.789 -8.752 5.804 1.00 0.66 C ATOM 1281 CE1 TYR A 135 -10.419 -8.321 4.947 1.00 0.91 C ATOM 1282 CE2 TYR A 135 -8.772 -8.375 6.726 1.00 0.85 C ATOM 1283 CZ TYR A 135 -10.087 -8.158 6.298 1.00 0.92 C ATOM 1284 OH TYR A 135 -11.056 -7.785 7.206 1.00 1.17 O ATOM 0 H TYR A 135 -8.391 -8.349 1.518 1.00 0.41 H new ATOM 0 HA TYR A 135 -6.319 -7.303 3.360 1.00 0.39 H new ATOM 0 HB2 TYR A 135 -7.459 -10.077 2.775 1.00 0.46 H new ATOM 0 HB3 TYR A 135 -6.214 -9.771 3.970 1.00 0.46 H new ATOM 0 HD1 TYR A 135 -9.694 -8.824 2.983 1.00 0.72 H new ATOM 0 HD2 TYR A 135 -6.774 -8.917 6.134 1.00 0.66 H new ATOM 0 HE1 TYR A 135 -11.434 -8.155 4.617 1.00 0.91 H new ATOM 0 HE2 TYR A 135 -8.516 -8.251 7.768 1.00 0.85 H new ATOM 0 HH TYR A 135 -10.659 -7.718 8.099 1.00 1.17 H new ATOM 1294 N PRO A 136 -4.199 -8.322 2.269 1.00 0.37 N ATOM 1295 CA PRO A 136 -2.975 -8.660 1.481 1.00 0.38 C ATOM 1296 C PRO A 136 -2.764 -10.176 1.367 1.00 0.37 C ATOM 1297 O PRO A 136 -2.705 -10.879 2.357 1.00 0.38 O ATOM 1298 CB PRO A 136 -1.844 -8.012 2.290 1.00 0.42 C ATOM 1299 CG PRO A 136 -2.336 -8.035 3.701 1.00 0.51 C ATOM 1300 CD PRO A 136 -3.852 -7.829 3.618 1.00 0.44 C ATOM 0 HA PRO A 136 -3.033 -8.304 0.452 1.00 0.38 H new ATOM 0 HB2 PRO A 136 -0.912 -8.567 2.185 1.00 0.42 H new ATOM 0 HB3 PRO A 136 -1.648 -6.994 1.954 1.00 0.42 H new ATOM 0 HG2 PRO A 136 -2.096 -8.983 4.183 1.00 0.51 H new ATOM 0 HG3 PRO A 136 -1.866 -7.249 4.292 1.00 0.51 H new ATOM 0 HD2 PRO A 136 -4.375 -8.387 4.395 1.00 0.44 H new ATOM 0 HD3 PRO A 136 -4.121 -6.780 3.743 1.00 0.44 H new ATOM 1308 N LEU A 137 -2.648 -10.684 0.169 1.00 0.40 N ATOM 1309 CA LEU A 137 -2.439 -12.151 0.001 1.00 0.43 C ATOM 1310 C LEU A 137 -1.104 -12.549 0.640 1.00 0.41 C ATOM 1311 O LEU A 137 -1.045 -13.413 1.492 1.00 0.38 O ATOM 1312 CB LEU A 137 -2.422 -12.502 -1.496 1.00 0.51 C ATOM 1313 CG LEU A 137 -3.864 -12.591 -2.041 1.00 0.59 C ATOM 1314 CD1 LEU A 137 -3.861 -12.349 -3.553 1.00 0.64 C ATOM 1315 CD2 LEU A 137 -4.458 -13.982 -1.765 1.00 0.92 C ATOM 0 H LEU A 137 -2.689 -10.148 -0.698 1.00 0.40 H new ATOM 0 HA LEU A 137 -3.250 -12.693 0.487 1.00 0.43 H new ATOM 0 HB2 LEU A 137 -1.863 -11.746 -2.048 1.00 0.51 H new ATOM 0 HB3 LEU A 137 -1.909 -13.452 -1.648 1.00 0.51 H new ATOM 0 HG LEU A 137 -4.468 -11.834 -1.541 1.00 0.59 H new ATOM 0 HD11 LEU A 137 -4.880 -12.413 -3.934 1.00 0.64 H new ATOM 0 HD12 LEU A 137 -3.457 -11.359 -3.762 1.00 0.64 H new ATOM 0 HD13 LEU A 137 -3.244 -13.103 -4.041 1.00 0.64 H new ATOM 0 HD21 LEU A 137 -5.475 -14.028 -2.156 1.00 0.92 H new ATOM 0 HD22 LEU A 137 -3.847 -14.742 -2.253 1.00 0.92 H new ATOM 0 HD23 LEU A 137 -4.474 -14.164 -0.690 1.00 0.92 H new ATOM 1327 N THR A 138 -0.030 -11.925 0.234 1.00 0.50 N ATOM 1328 CA THR A 138 1.300 -12.269 0.815 1.00 0.55 C ATOM 1329 C THR A 138 1.321 -11.899 2.299 1.00 0.47 C ATOM 1330 O THR A 138 0.612 -11.017 2.743 1.00 0.50 O ATOM 1331 CB THR A 138 2.400 -11.492 0.070 1.00 0.73 C ATOM 1332 OG1 THR A 138 1.902 -10.216 -0.306 1.00 0.98 O ATOM 1333 CG2 THR A 138 2.821 -12.262 -1.184 1.00 1.04 C ATOM 0 H THR A 138 -0.017 -11.192 -0.475 1.00 0.50 H new ATOM 0 HA THR A 138 1.479 -13.339 0.709 1.00 0.55 H new ATOM 0 HB THR A 138 3.263 -11.372 0.725 1.00 0.73 H new ATOM 0 HG1 THR A 138 2.215 -9.996 -1.208 1.00 0.98 H new ATOM 0 HG21 THR A 138 3.600 -11.707 -1.707 1.00 1.04 H new ATOM 0 HG22 THR A 138 3.203 -13.242 -0.898 1.00 1.04 H new ATOM 0 HG23 THR A 138 1.960 -12.386 -1.841 1.00 1.04 H new ATOM 1341 N PHE A 139 2.136 -12.571 3.068 1.00 0.51 N ATOM 1342 CA PHE A 139 2.219 -12.270 4.530 1.00 0.49 C ATOM 1343 C PHE A 139 3.368 -11.292 4.785 1.00 0.65 C ATOM 1344 O PHE A 139 4.217 -11.079 3.943 1.00 1.43 O ATOM 1345 CB PHE A 139 2.471 -13.564 5.308 1.00 0.52 C ATOM 1346 CG PHE A 139 2.435 -13.276 6.794 1.00 0.50 C ATOM 1347 CD1 PHE A 139 1.245 -12.843 7.393 1.00 0.67 C ATOM 1348 CD2 PHE A 139 3.591 -13.435 7.571 1.00 0.59 C ATOM 1349 CE1 PHE A 139 1.210 -12.571 8.766 1.00 0.77 C ATOM 1350 CE2 PHE A 139 3.555 -13.164 8.944 1.00 0.62 C ATOM 1351 CZ PHE A 139 2.365 -12.731 9.542 1.00 0.66 C ATOM 0 H PHE A 139 2.751 -13.319 2.746 1.00 0.51 H new ATOM 0 HA PHE A 139 1.280 -11.825 4.861 1.00 0.49 H new ATOM 0 HB2 PHE A 139 1.716 -14.307 5.053 1.00 0.52 H new ATOM 0 HB3 PHE A 139 3.438 -13.984 5.032 1.00 0.52 H new ATOM 0 HD1 PHE A 139 0.354 -12.719 6.795 1.00 0.67 H new ATOM 0 HD2 PHE A 139 4.510 -13.767 7.110 1.00 0.59 H new ATOM 0 HE1 PHE A 139 0.292 -12.238 9.227 1.00 0.77 H new ATOM 0 HE2 PHE A 139 4.445 -13.289 9.542 1.00 0.62 H new ATOM 0 HZ PHE A 139 2.338 -12.521 10.601 1.00 0.66 H new ATOM 1361 N GLY A 140 3.395 -10.690 5.944 1.00 0.46 N ATOM 1362 CA GLY A 140 4.479 -9.714 6.270 1.00 0.43 C ATOM 1363 C GLY A 140 3.959 -8.302 6.011 1.00 0.35 C ATOM 1364 O GLY A 140 4.205 -7.385 6.768 1.00 0.32 O ATOM 0 H GLY A 140 2.709 -10.833 6.685 1.00 0.46 H new ATOM 0 HA2 GLY A 140 4.782 -9.820 7.312 1.00 0.43 H new ATOM 0 HA3 GLY A 140 5.360 -9.910 5.660 1.00 0.43 H new ATOM 1368 N TRP A 141 3.228 -8.133 4.948 1.00 0.34 N ATOM 1369 CA TRP A 141 2.662 -6.795 4.624 1.00 0.29 C ATOM 1370 C TRP A 141 1.468 -6.554 5.546 1.00 0.32 C ATOM 1371 O TRP A 141 0.403 -7.114 5.374 1.00 0.40 O ATOM 1372 CB TRP A 141 2.250 -6.793 3.149 1.00 0.33 C ATOM 1373 CG TRP A 141 2.163 -5.402 2.599 1.00 0.31 C ATOM 1374 CD1 TRP A 141 1.112 -4.948 1.883 1.00 0.35 C ATOM 1375 CD2 TRP A 141 3.122 -4.288 2.669 1.00 0.28 C ATOM 1376 NE1 TRP A 141 1.348 -3.644 1.513 1.00 0.33 N ATOM 1377 CE2 TRP A 141 2.563 -3.187 1.973 1.00 0.30 C ATOM 1378 CE3 TRP A 141 4.400 -4.109 3.257 1.00 0.28 C ATOM 1379 CZ2 TRP A 141 3.230 -1.965 1.862 1.00 0.32 C ATOM 1380 CZ3 TRP A 141 5.070 -2.878 3.141 1.00 0.31 C ATOM 1381 CH2 TRP A 141 4.485 -1.810 2.447 1.00 0.33 C ATOM 0 H TRP A 141 2.996 -8.871 4.283 1.00 0.34 H new ATOM 0 HA TRP A 141 3.387 -5.995 4.777 1.00 0.29 H new ATOM 0 HB2 TRP A 141 2.971 -7.369 2.569 1.00 0.33 H new ATOM 0 HB3 TRP A 141 1.285 -7.288 3.040 1.00 0.33 H new ATOM 0 HD1 TRP A 141 0.227 -5.518 1.640 1.00 0.35 H new ATOM 0 HE1 TRP A 141 0.699 -3.082 0.962 1.00 0.33 H new ATOM 0 HE3 TRP A 141 4.861 -4.923 3.797 1.00 0.28 H new ATOM 0 HZ2 TRP A 141 2.776 -1.145 1.326 1.00 0.32 H new ATOM 0 HZ3 TRP A 141 6.044 -2.754 3.591 1.00 0.31 H new ATOM 0 HH2 TRP A 141 5.007 -0.868 2.366 1.00 0.33 H new ATOM 1392 N CYS A 142 1.677 -5.776 6.572 1.00 0.31 N ATOM 1393 CA CYS A 142 0.605 -5.539 7.581 1.00 0.40 C ATOM 1394 C CYS A 142 -0.401 -4.443 7.184 1.00 0.39 C ATOM 1395 O CYS A 142 -1.173 -4.018 8.022 1.00 0.48 O ATOM 1396 CB CYS A 142 1.289 -5.138 8.889 1.00 0.47 C ATOM 1397 SG CYS A 142 2.759 -4.153 8.504 1.00 1.45 S ATOM 0 H CYS A 142 2.554 -5.289 6.757 1.00 0.31 H new ATOM 0 HA CYS A 142 0.027 -6.458 7.671 1.00 0.40 H new ATOM 0 HB2 CYS A 142 0.603 -4.564 9.512 1.00 0.47 H new ATOM 0 HB3 CYS A 142 1.568 -6.026 9.456 1.00 0.47 H new ATOM 0 HG CYS A 142 2.466 -3.274 7.592 1.00 1.45 H new ATOM 1403 N TYR A 143 -0.425 -3.968 5.961 1.00 0.38 N ATOM 1404 CA TYR A 143 -1.422 -2.888 5.613 1.00 0.40 C ATOM 1405 C TYR A 143 -2.513 -3.487 4.713 1.00 0.43 C ATOM 1406 O TYR A 143 -2.238 -4.219 3.782 1.00 0.65 O ATOM 1407 CB TYR A 143 -0.692 -1.700 4.909 1.00 0.55 C ATOM 1408 CG TYR A 143 -1.296 -1.367 3.553 1.00 1.43 C ATOM 1409 CD1 TYR A 143 -2.639 -0.971 3.464 1.00 2.17 C ATOM 1410 CD2 TYR A 143 -0.517 -1.436 2.396 1.00 2.16 C ATOM 1411 CE1 TYR A 143 -3.197 -0.656 2.222 1.00 3.14 C ATOM 1412 CE2 TYR A 143 -1.075 -1.120 1.151 1.00 3.14 C ATOM 1413 CZ TYR A 143 -2.417 -0.732 1.064 1.00 3.52 C ATOM 1414 OH TYR A 143 -2.968 -0.420 -0.162 1.00 4.57 O ATOM 0 H TYR A 143 0.184 -4.268 5.200 1.00 0.38 H new ATOM 0 HA TYR A 143 -1.890 -2.501 6.518 1.00 0.40 H new ATOM 0 HB2 TYR A 143 -0.737 -0.819 5.549 1.00 0.55 H new ATOM 0 HB3 TYR A 143 0.362 -1.949 4.783 1.00 0.55 H new ATOM 0 HD1 TYR A 143 -3.243 -0.909 4.357 1.00 2.17 H new ATOM 0 HD2 TYR A 143 0.519 -1.734 2.462 1.00 2.16 H new ATOM 0 HE1 TYR A 143 -4.232 -0.354 2.157 1.00 3.14 H new ATOM 0 HE2 TYR A 143 -0.470 -1.176 0.258 1.00 3.14 H new ATOM 0 HH TYR A 143 -2.660 0.467 -0.443 1.00 4.57 H new ATOM 1424 N LYS A 144 -3.748 -3.145 4.981 1.00 0.39 N ATOM 1425 CA LYS A 144 -4.889 -3.644 4.150 1.00 0.51 C ATOM 1426 C LYS A 144 -5.776 -2.452 3.760 1.00 0.43 C ATOM 1427 O LYS A 144 -5.979 -1.545 4.542 1.00 0.45 O ATOM 1428 CB LYS A 144 -5.704 -4.669 4.957 1.00 0.70 C ATOM 1429 CG LYS A 144 -6.494 -3.970 6.075 1.00 1.21 C ATOM 1430 CD LYS A 144 -7.159 -5.015 6.990 1.00 1.24 C ATOM 1431 CE LYS A 144 -6.171 -5.500 8.055 1.00 1.57 C ATOM 1432 NZ LYS A 144 -6.891 -6.356 9.040 1.00 2.32 N ATOM 0 H LYS A 144 -4.019 -2.533 5.751 1.00 0.39 H new ATOM 0 HA LYS A 144 -4.512 -4.127 3.249 1.00 0.51 H new ATOM 0 HB2 LYS A 144 -6.390 -5.199 4.296 1.00 0.70 H new ATOM 0 HB3 LYS A 144 -5.036 -5.415 5.388 1.00 0.70 H new ATOM 0 HG2 LYS A 144 -5.827 -3.336 6.659 1.00 1.21 H new ATOM 0 HG3 LYS A 144 -7.254 -3.320 5.641 1.00 1.21 H new ATOM 0 HD2 LYS A 144 -8.036 -4.581 7.470 1.00 1.24 H new ATOM 0 HD3 LYS A 144 -7.506 -5.860 6.395 1.00 1.24 H new ATOM 0 HE2 LYS A 144 -5.363 -6.063 7.588 1.00 1.57 H new ATOM 0 HE3 LYS A 144 -5.716 -4.648 8.560 1.00 1.57 H new ATOM 0 HZ1 LYS A 144 -6.784 -5.954 9.993 1.00 2.32 H new ATOM 0 HZ2 LYS A 144 -7.900 -6.396 8.793 1.00 2.32 H new ATOM 0 HZ3 LYS A 144 -6.492 -7.316 9.022 1.00 2.32 H new ATOM 1446 N LEU A 145 -6.314 -2.443 2.567 1.00 0.40 N ATOM 1447 CA LEU A 145 -7.189 -1.301 2.159 1.00 0.37 C ATOM 1448 C LEU A 145 -8.537 -1.427 2.875 1.00 0.38 C ATOM 1449 O LEU A 145 -8.983 -2.516 3.176 1.00 0.41 O ATOM 1450 CB LEU A 145 -7.420 -1.332 0.639 1.00 0.42 C ATOM 1451 CG LEU A 145 -6.167 -0.842 -0.111 1.00 0.50 C ATOM 1452 CD1 LEU A 145 -6.258 -1.270 -1.579 1.00 0.63 C ATOM 1453 CD2 LEU A 145 -6.059 0.696 -0.044 1.00 0.52 C ATOM 0 H LEU A 145 -6.187 -3.170 1.863 1.00 0.40 H new ATOM 0 HA LEU A 145 -6.706 -0.362 2.428 1.00 0.37 H new ATOM 0 HB2 LEU A 145 -7.665 -2.346 0.324 1.00 0.42 H new ATOM 0 HB3 LEU A 145 -8.273 -0.703 0.383 1.00 0.42 H new ATOM 0 HG LEU A 145 -5.286 -1.280 0.359 1.00 0.50 H new ATOM 0 HD11 LEU A 145 -5.373 -0.925 -2.114 1.00 0.63 H new ATOM 0 HD12 LEU A 145 -6.317 -2.357 -1.638 1.00 0.63 H new ATOM 0 HD13 LEU A 145 -7.148 -0.833 -2.031 1.00 0.63 H new ATOM 0 HD21 LEU A 145 -5.167 1.022 -0.580 1.00 0.52 H new ATOM 0 HD22 LEU A 145 -6.941 1.143 -0.502 1.00 0.52 H new ATOM 0 HD23 LEU A 145 -5.992 1.011 0.997 1.00 0.52 H new ATOM 1465 N VAL A 146 -9.197 -0.322 3.142 1.00 0.43 N ATOM 1466 CA VAL A 146 -10.521 -0.384 3.842 1.00 0.50 C ATOM 1467 C VAL A 146 -11.334 0.877 3.484 1.00 0.59 C ATOM 1468 O VAL A 146 -10.815 1.974 3.545 1.00 0.63 O ATOM 1469 CB VAL A 146 -10.306 -0.386 5.366 1.00 0.56 C ATOM 1470 CG1 VAL A 146 -11.652 -0.534 6.086 1.00 0.68 C ATOM 1471 CG2 VAL A 146 -9.400 -1.546 5.780 1.00 0.56 C ATOM 0 H VAL A 146 -8.876 0.617 2.906 1.00 0.43 H new ATOM 0 HA VAL A 146 -11.045 -1.289 3.535 1.00 0.50 H new ATOM 0 HB VAL A 146 -9.836 0.558 5.642 1.00 0.56 H new ATOM 0 HG11 VAL A 146 -11.490 -0.534 7.164 1.00 0.68 H new ATOM 0 HG12 VAL A 146 -12.302 0.299 5.817 1.00 0.68 H new ATOM 0 HG13 VAL A 146 -12.122 -1.472 5.789 1.00 0.68 H new ATOM 0 HG21 VAL A 146 -9.260 -1.530 6.861 1.00 0.56 H new ATOM 0 HG22 VAL A 146 -9.860 -2.490 5.487 1.00 0.56 H new ATOM 0 HG23 VAL A 146 -8.433 -1.446 5.287 1.00 0.56 H new ATOM 1481 N PRO A 147 -12.598 0.742 3.126 1.00 0.68 N ATOM 1482 CA PRO A 147 -13.455 1.915 2.781 1.00 0.81 C ATOM 1483 C PRO A 147 -13.994 2.623 4.032 1.00 0.91 C ATOM 1484 O PRO A 147 -14.071 2.046 5.099 1.00 1.12 O ATOM 1485 CB PRO A 147 -14.601 1.282 1.988 1.00 0.87 C ATOM 1486 CG PRO A 147 -14.767 -0.070 2.599 1.00 0.97 C ATOM 1487 CD PRO A 147 -13.357 -0.524 3.001 1.00 0.75 C ATOM 0 HA PRO A 147 -12.908 2.682 2.232 1.00 0.81 H new ATOM 0 HB2 PRO A 147 -15.515 1.871 2.070 1.00 0.87 H new ATOM 0 HB3 PRO A 147 -14.360 1.213 0.927 1.00 0.87 H new ATOM 0 HG2 PRO A 147 -15.426 -0.029 3.466 1.00 0.97 H new ATOM 0 HG3 PRO A 147 -15.215 -0.767 1.891 1.00 0.97 H new ATOM 0 HD2 PRO A 147 -13.368 -1.078 3.940 1.00 0.75 H new ATOM 0 HD3 PRO A 147 -12.919 -1.180 2.249 1.00 0.75 H new ATOM 1780 N LEU A 181 -10.531 4.379 -1.168 1.00 0.58 N ATOM 1781 CA LEU A 181 -9.974 3.429 -0.138 1.00 0.52 C ATOM 1782 C LEU A 181 -8.694 4.005 0.461 1.00 0.47 C ATOM 1783 O LEU A 181 -7.880 4.562 -0.237 1.00 0.51 O ATOM 1784 CB LEU A 181 -9.659 2.087 -0.803 1.00 0.60 C ATOM 1785 CG LEU A 181 -10.879 1.589 -1.590 1.00 0.74 C ATOM 1786 CD1 LEU A 181 -10.468 0.404 -2.461 1.00 0.95 C ATOM 1787 CD2 LEU A 181 -11.986 1.147 -0.624 1.00 0.87 C ATOM 0 HA LEU A 181 -10.710 3.287 0.653 1.00 0.52 H new ATOM 0 HB2 LEU A 181 -8.805 2.195 -1.471 1.00 0.60 H new ATOM 0 HB3 LEU A 181 -9.381 1.354 -0.046 1.00 0.60 H new ATOM 0 HG LEU A 181 -11.254 2.399 -2.216 1.00 0.74 H new ATOM 0 HD11 LEU A 181 -11.332 0.047 -3.022 1.00 0.95 H new ATOM 0 HD12 LEU A 181 -9.688 0.716 -3.156 1.00 0.95 H new ATOM 0 HD13 LEU A 181 -10.090 -0.399 -1.828 1.00 0.95 H new ATOM 0 HD21 LEU A 181 -12.847 0.796 -1.193 1.00 0.87 H new ATOM 0 HD22 LEU A 181 -11.616 0.341 0.009 1.00 0.87 H new ATOM 0 HD23 LEU A 181 -12.283 1.990 -0.001 1.00 0.87 H new ATOM 1799 N GLU A 182 -8.513 3.879 1.757 1.00 0.45 N ATOM 1800 CA GLU A 182 -7.280 4.432 2.416 1.00 0.45 C ATOM 1801 C GLU A 182 -6.370 3.317 2.945 1.00 0.42 C ATOM 1802 O GLU A 182 -6.786 2.194 3.163 1.00 0.43 O ATOM 1803 CB GLU A 182 -7.697 5.342 3.583 1.00 0.49 C ATOM 1804 CG GLU A 182 -8.198 4.494 4.760 1.00 0.56 C ATOM 1805 CD GLU A 182 -9.008 5.370 5.718 1.00 0.90 C ATOM 1806 OE1 GLU A 182 -10.126 5.715 5.374 1.00 1.49 O ATOM 1807 OE2 GLU A 182 -8.496 5.683 6.780 1.00 1.62 O ATOM 0 H GLU A 182 -9.167 3.416 2.389 1.00 0.45 H new ATOM 0 HA GLU A 182 -6.722 4.996 1.669 1.00 0.45 H new ATOM 0 HB2 GLU A 182 -6.851 5.952 3.899 1.00 0.49 H new ATOM 0 HB3 GLU A 182 -8.481 6.027 3.258 1.00 0.49 H new ATOM 0 HG2 GLU A 182 -8.814 3.673 4.393 1.00 0.56 H new ATOM 0 HG3 GLU A 182 -7.353 4.048 5.285 1.00 0.56 H new ATOM 1814 N TRP A 183 -5.122 3.659 3.168 1.00 0.40 N ATOM 1815 CA TRP A 183 -4.131 2.683 3.709 1.00 0.38 C ATOM 1816 C TRP A 183 -4.395 2.457 5.202 1.00 0.37 C ATOM 1817 O TRP A 183 -4.260 3.361 6.004 1.00 0.43 O ATOM 1818 CB TRP A 183 -2.703 3.253 3.523 1.00 0.41 C ATOM 1819 CG TRP A 183 -2.094 2.797 2.234 1.00 0.42 C ATOM 1820 CD1 TRP A 183 -1.321 1.702 2.117 1.00 0.52 C ATOM 1821 CD2 TRP A 183 -2.154 3.397 0.907 1.00 0.38 C ATOM 1822 NE1 TRP A 183 -0.924 1.565 0.801 1.00 0.53 N ATOM 1823 CE2 TRP A 183 -1.410 2.588 0.014 1.00 0.44 C ATOM 1824 CE3 TRP A 183 -2.780 4.540 0.395 1.00 0.38 C ATOM 1825 CZ2 TRP A 183 -1.293 2.907 -1.339 1.00 0.44 C ATOM 1826 CZ3 TRP A 183 -2.661 4.867 -0.966 1.00 0.41 C ATOM 1827 CH2 TRP A 183 -1.920 4.052 -1.831 1.00 0.41 C ATOM 0 H TRP A 183 -4.746 4.591 2.994 1.00 0.40 H new ATOM 0 HA TRP A 183 -4.224 1.736 3.177 1.00 0.38 H new ATOM 0 HB2 TRP A 183 -2.739 4.342 3.544 1.00 0.41 H new ATOM 0 HB3 TRP A 183 -2.073 2.939 4.355 1.00 0.41 H new ATOM 0 HD1 TRP A 183 -1.053 1.036 2.924 1.00 0.52 H new ATOM 0 HE1 TRP A 183 -0.343 0.802 0.454 1.00 0.53 H new ATOM 0 HE3 TRP A 183 -3.358 5.174 1.051 1.00 0.38 H new ATOM 0 HZ2 TRP A 183 -0.722 2.273 -2.000 1.00 0.44 H new ATOM 0 HZ3 TRP A 183 -3.145 5.754 -1.348 1.00 0.41 H new ATOM 0 HH2 TRP A 183 -1.834 4.309 -2.876 1.00 0.41 H new ATOM 1838 N ARG A 184 -4.747 1.254 5.580 1.00 0.35 N ATOM 1839 CA ARG A 184 -4.994 0.953 7.025 1.00 0.35 C ATOM 1840 C ARG A 184 -3.768 0.211 7.580 1.00 0.31 C ATOM 1841 O ARG A 184 -3.688 -1.001 7.546 1.00 0.31 O ATOM 1842 CB ARG A 184 -6.269 0.085 7.151 1.00 0.40 C ATOM 1843 CG ARG A 184 -7.085 0.504 8.387 1.00 0.98 C ATOM 1844 CD ARG A 184 -6.223 0.402 9.661 1.00 1.51 C ATOM 1845 NE ARG A 184 -7.067 -0.078 10.800 1.00 1.57 N ATOM 1846 CZ ARG A 184 -8.235 0.456 11.052 1.00 2.13 C ATOM 1847 NH1 ARG A 184 -8.621 1.533 10.425 1.00 2.82 N ATOM 1848 NH2 ARG A 184 -8.997 -0.061 11.974 1.00 2.61 N ATOM 0 H ARG A 184 -4.875 0.464 4.948 1.00 0.35 H new ATOM 0 HA ARG A 184 -5.145 1.870 7.594 1.00 0.35 H new ATOM 0 HB2 ARG A 184 -6.878 0.190 6.253 1.00 0.40 H new ATOM 0 HB3 ARG A 184 -5.994 -0.967 7.229 1.00 0.40 H new ATOM 0 HG2 ARG A 184 -7.444 1.526 8.264 1.00 0.98 H new ATOM 0 HG3 ARG A 184 -7.964 -0.133 8.483 1.00 0.98 H new ATOM 0 HD2 ARG A 184 -5.392 -0.284 9.496 1.00 1.51 H new ATOM 0 HD3 ARG A 184 -5.791 1.374 9.899 1.00 1.51 H new ATOM 0 HE ARG A 184 -6.725 -0.836 11.391 1.00 1.57 H new ATOM 0 HH11 ARG A 184 -8.011 1.966 9.732 1.00 2.82 H new ATOM 0 HH12 ARG A 184 -9.533 1.942 10.628 1.00 2.82 H new ATOM 0 HH21 ARG A 184 -8.682 -0.879 12.496 1.00 2.61 H new ATOM 0 HH22 ARG A 184 -9.908 0.352 12.174 1.00 2.61 H new ATOM 1862 N PHE A 185 -2.808 0.942 8.067 1.00 0.31 N ATOM 1863 CA PHE A 185 -1.569 0.305 8.609 1.00 0.31 C ATOM 1864 C PHE A 185 -1.871 -0.438 9.920 1.00 0.31 C ATOM 1865 O PHE A 185 -2.585 0.052 10.772 1.00 0.37 O ATOM 1866 CB PHE A 185 -0.530 1.401 8.868 1.00 0.40 C ATOM 1867 CG PHE A 185 0.777 0.791 9.319 1.00 0.44 C ATOM 1868 CD1 PHE A 185 0.926 0.360 10.643 1.00 0.65 C ATOM 1869 CD2 PHE A 185 1.844 0.667 8.420 1.00 0.62 C ATOM 1870 CE1 PHE A 185 2.137 -0.197 11.065 1.00 0.75 C ATOM 1871 CE2 PHE A 185 3.055 0.111 8.844 1.00 0.74 C ATOM 1872 CZ PHE A 185 3.203 -0.321 10.165 1.00 0.71 C ATOM 0 H PHE A 185 -2.824 1.961 8.115 1.00 0.31 H new ATOM 0 HA PHE A 185 -1.188 -0.416 7.886 1.00 0.31 H new ATOM 0 HB2 PHE A 185 -0.373 1.984 7.960 1.00 0.40 H new ATOM 0 HB3 PHE A 185 -0.899 2.089 9.629 1.00 0.40 H new ATOM 0 HD1 PHE A 185 0.105 0.458 11.338 1.00 0.65 H new ATOM 0 HD2 PHE A 185 1.731 1.001 7.399 1.00 0.62 H new ATOM 0 HE1 PHE A 185 2.251 -0.532 12.085 1.00 0.75 H new ATOM 0 HE2 PHE A 185 3.877 0.015 8.150 1.00 0.74 H new ATOM 0 HZ PHE A 185 4.139 -0.750 10.492 1.00 0.71 H new ATOM 1882 N ASP A 186 -1.331 -1.621 10.086 1.00 0.28 N ATOM 1883 CA ASP A 186 -1.581 -2.400 11.331 1.00 0.32 C ATOM 1884 C ASP A 186 -0.441 -3.413 11.553 1.00 0.30 C ATOM 1885 O ASP A 186 -0.639 -4.608 11.452 1.00 0.32 O ATOM 1886 CB ASP A 186 -2.901 -3.143 11.161 1.00 0.37 C ATOM 1887 CG ASP A 186 -3.451 -3.555 12.528 1.00 0.47 C ATOM 1888 OD1 ASP A 186 -2.705 -3.488 13.490 1.00 1.23 O ATOM 1889 OD2 ASP A 186 -4.610 -3.931 12.590 1.00 1.16 O ATOM 0 H ASP A 186 -0.725 -2.080 9.406 1.00 0.28 H new ATOM 0 HA ASP A 186 -1.626 -1.733 12.192 1.00 0.32 H new ATOM 0 HB2 ASP A 186 -3.622 -2.507 10.647 1.00 0.37 H new ATOM 0 HB3 ASP A 186 -2.753 -4.026 10.539 1.00 0.37 H new ATOM 1894 N SER A 187 0.747 -2.941 11.842 1.00 0.33 N ATOM 1895 CA SER A 187 1.909 -3.867 12.060 1.00 0.34 C ATOM 1896 C SER A 187 1.524 -5.022 12.990 1.00 0.35 C ATOM 1897 O SER A 187 2.273 -5.962 13.161 1.00 0.37 O ATOM 1898 CB SER A 187 3.065 -3.090 12.688 1.00 0.40 C ATOM 1899 OG SER A 187 2.571 -2.294 13.756 1.00 1.32 O ATOM 0 H SER A 187 0.966 -1.949 11.937 1.00 0.33 H new ATOM 0 HA SER A 187 2.206 -4.277 11.095 1.00 0.34 H new ATOM 0 HB2 SER A 187 3.825 -3.780 13.055 1.00 0.40 H new ATOM 0 HB3 SER A 187 3.543 -2.458 11.939 1.00 0.40 H new ATOM 0 HG SER A 187 3.323 -1.921 14.261 1.00 1.32 H new ATOM 1905 N ARG A 188 0.372 -4.968 13.597 1.00 0.40 N ATOM 1906 CA ARG A 188 -0.026 -6.075 14.511 1.00 0.46 C ATOM 1907 C ARG A 188 -0.133 -7.373 13.707 1.00 0.42 C ATOM 1908 O ARG A 188 0.263 -8.430 14.155 1.00 0.43 O ATOM 1909 CB ARG A 188 -1.382 -5.746 15.146 1.00 0.58 C ATOM 1910 CG ARG A 188 -1.613 -6.646 16.362 1.00 1.40 C ATOM 1911 CD ARG A 188 -2.966 -6.313 16.998 1.00 1.75 C ATOM 1912 NE ARG A 188 -3.109 -4.826 17.155 1.00 2.37 N ATOM 1913 CZ ARG A 188 -2.246 -4.118 17.837 1.00 2.99 C ATOM 1914 NH1 ARG A 188 -1.319 -4.702 18.544 1.00 3.19 N ATOM 1915 NH2 ARG A 188 -2.346 -2.816 17.850 1.00 3.87 N ATOM 0 H ARG A 188 -0.306 -4.212 13.502 1.00 0.40 H new ATOM 0 HA ARG A 188 0.720 -6.194 15.297 1.00 0.46 H new ATOM 0 HB2 ARG A 188 -1.409 -4.698 15.446 1.00 0.58 H new ATOM 0 HB3 ARG A 188 -2.180 -5.890 14.418 1.00 0.58 H new ATOM 0 HG2 ARG A 188 -1.589 -7.694 16.062 1.00 1.40 H new ATOM 0 HG3 ARG A 188 -0.813 -6.504 17.089 1.00 1.40 H new ATOM 0 HD2 ARG A 188 -3.774 -6.701 16.377 1.00 1.75 H new ATOM 0 HD3 ARG A 188 -3.049 -6.799 17.970 1.00 1.75 H new ATOM 0 HE ARG A 188 -3.901 -4.355 16.718 1.00 2.37 H new ATOM 0 HH11 ARG A 188 -1.262 -5.720 18.569 1.00 3.19 H new ATOM 0 HH12 ARG A 188 -0.651 -4.141 19.072 1.00 3.19 H new ATOM 0 HH21 ARG A 188 -3.094 -2.357 17.330 1.00 3.87 H new ATOM 0 HH22 ARG A 188 -1.676 -2.258 18.380 1.00 3.87 H new ATOM 1929 N LEU A 189 -0.651 -7.293 12.514 1.00 0.43 N ATOM 1930 CA LEU A 189 -0.770 -8.510 11.665 1.00 0.46 C ATOM 1931 C LEU A 189 0.630 -9.021 11.332 1.00 0.41 C ATOM 1932 O LEU A 189 0.796 -9.985 10.612 1.00 0.46 O ATOM 1933 CB LEU A 189 -1.516 -8.168 10.372 1.00 0.57 C ATOM 1934 CG LEU A 189 -2.930 -7.667 10.699 1.00 1.05 C ATOM 1935 CD1 LEU A 189 -3.557 -7.061 9.441 1.00 1.46 C ATOM 1936 CD2 LEU A 189 -3.810 -8.828 11.198 1.00 1.78 C ATOM 0 H LEU A 189 -0.998 -6.433 12.089 1.00 0.43 H new ATOM 0 HA LEU A 189 -1.325 -9.280 12.201 1.00 0.46 H new ATOM 0 HB2 LEU A 189 -0.970 -7.404 9.818 1.00 0.57 H new ATOM 0 HB3 LEU A 189 -1.572 -9.048 9.731 1.00 0.57 H new ATOM 0 HG LEU A 189 -2.864 -6.912 11.483 1.00 1.05 H new ATOM 0 HD11 LEU A 189 -4.561 -6.705 9.671 1.00 1.46 H new ATOM 0 HD12 LEU A 189 -2.946 -6.227 9.095 1.00 1.46 H new ATOM 0 HD13 LEU A 189 -3.611 -7.819 8.660 1.00 1.46 H new ATOM 0 HD21 LEU A 189 -4.809 -8.456 11.425 1.00 1.78 H new ATOM 0 HD22 LEU A 189 -3.875 -9.593 10.425 1.00 1.78 H new ATOM 0 HD23 LEU A 189 -3.370 -9.258 12.098 1.00 1.78 H new ATOM 1948 N ALA A 190 1.640 -8.381 11.854 1.00 0.37 N ATOM 1949 CA ALA A 190 3.028 -8.832 11.572 1.00 0.42 C ATOM 1950 C ALA A 190 3.280 -10.128 12.337 1.00 0.44 C ATOM 1951 O ALA A 190 4.363 -10.679 12.312 1.00 0.53 O ATOM 1952 CB ALA A 190 4.018 -7.761 12.036 1.00 0.47 C ATOM 0 H ALA A 190 1.562 -7.566 12.463 1.00 0.37 H new ATOM 0 HA ALA A 190 3.159 -8.997 10.503 1.00 0.42 H new ATOM 0 HB1 ALA A 190 5.036 -8.092 11.829 1.00 0.47 H new ATOM 0 HB2 ALA A 190 3.824 -6.830 11.503 1.00 0.47 H new ATOM 0 HB3 ALA A 190 3.901 -7.597 13.107 1.00 0.47 H new ATOM 1958 N PHE A 191 2.272 -10.620 13.016 1.00 0.42 N ATOM 1959 CA PHE A 191 2.422 -11.891 13.793 1.00 0.51 C ATOM 1960 C PHE A 191 1.208 -12.790 13.544 1.00 0.56 C ATOM 1961 O PHE A 191 1.335 -13.987 13.380 1.00 0.96 O ATOM 1962 CB PHE A 191 2.512 -11.571 15.288 1.00 0.58 C ATOM 1963 CG PHE A 191 3.519 -10.467 15.513 1.00 1.14 C ATOM 1964 CD1 PHE A 191 4.890 -10.747 15.454 1.00 1.81 C ATOM 1965 CD2 PHE A 191 3.082 -9.164 15.784 1.00 1.98 C ATOM 1966 CE1 PHE A 191 5.823 -9.725 15.666 1.00 2.75 C ATOM 1967 CE2 PHE A 191 4.016 -8.142 15.997 1.00 2.87 C ATOM 1968 CZ PHE A 191 5.386 -8.423 15.937 1.00 3.15 C ATOM 0 H PHE A 191 1.347 -10.193 13.066 1.00 0.42 H new ATOM 0 HA PHE A 191 3.329 -12.403 13.473 1.00 0.51 H new ATOM 0 HB2 PHE A 191 1.535 -11.267 15.664 1.00 0.58 H new ATOM 0 HB3 PHE A 191 2.805 -12.462 15.843 1.00 0.58 H new ATOM 0 HD1 PHE A 191 5.227 -11.751 15.245 1.00 1.81 H new ATOM 0 HD2 PHE A 191 2.025 -8.947 15.829 1.00 1.98 H new ATOM 0 HE1 PHE A 191 6.880 -9.941 15.620 1.00 2.75 H new ATOM 0 HE2 PHE A 191 3.679 -7.138 16.207 1.00 2.87 H new ATOM 0 HZ PHE A 191 6.106 -7.635 16.100 1.00 3.15 H new ATOM 1978 N HIS A 192 0.033 -12.225 13.518 1.00 0.64 N ATOM 1979 CA HIS A 192 -1.188 -13.049 13.284 1.00 0.72 C ATOM 1980 C HIS A 192 -1.255 -13.462 11.810 1.00 0.67 C ATOM 1981 O HIS A 192 -0.255 -13.499 11.122 1.00 1.26 O ATOM 1982 CB HIS A 192 -2.429 -12.229 13.648 1.00 1.01 C ATOM 1983 CG HIS A 192 -2.453 -11.992 15.134 1.00 1.62 C ATOM 1984 ND1 HIS A 192 -2.470 -13.035 16.047 1.00 2.46 N ATOM 1985 CD2 HIS A 192 -2.467 -10.841 15.880 1.00 2.48 C ATOM 1986 CE1 HIS A 192 -2.492 -12.494 17.279 1.00 3.29 C ATOM 1987 NE2 HIS A 192 -2.492 -11.159 17.234 1.00 3.35 N ATOM 0 H HIS A 192 -0.136 -11.228 13.649 1.00 0.64 H new ATOM 0 HA HIS A 192 -1.149 -13.944 13.905 1.00 0.72 H new ATOM 0 HB2 HIS A 192 -2.418 -11.277 13.117 1.00 1.01 H new ATOM 0 HB3 HIS A 192 -3.331 -12.757 13.338 1.00 1.01 H new ATOM 0 HD2 HIS A 192 -2.460 -9.839 15.477 1.00 2.48 H new ATOM 0 HE1 HIS A 192 -2.508 -13.069 18.193 1.00 3.29 H new ATOM 0 HE2 HIS A 192 -2.507 -10.512 18.023 1.00 3.35 H new ATOM 1995 N HIS A 193 -2.425 -13.778 11.321 1.00 0.77 N ATOM 1996 CA HIS A 193 -2.556 -14.191 9.894 1.00 0.85 C ATOM 1997 C HIS A 193 -4.042 -14.329 9.547 1.00 0.74 C ATOM 1998 O HIS A 193 -4.576 -15.418 9.480 1.00 0.78 O ATOM 1999 CB HIS A 193 -1.852 -15.535 9.684 1.00 1.28 C ATOM 2000 CG HIS A 193 -2.161 -16.447 10.839 1.00 2.09 C ATOM 2001 ND1 HIS A 193 -3.419 -16.506 11.416 1.00 2.84 N ATOM 2002 CD2 HIS A 193 -1.386 -17.341 11.537 1.00 2.99 C ATOM 2003 CE1 HIS A 193 -3.366 -17.405 12.415 1.00 3.75 C ATOM 2004 NE2 HIS A 193 -2.148 -17.945 12.531 1.00 3.87 N ATOM 0 H HIS A 193 -3.297 -13.768 11.850 1.00 0.77 H new ATOM 0 HA HIS A 193 -2.097 -13.441 9.250 1.00 0.85 H new ATOM 0 HB2 HIS A 193 -2.182 -15.989 8.750 1.00 1.28 H new ATOM 0 HB3 HIS A 193 -0.775 -15.385 9.603 1.00 1.28 H new ATOM 0 HD1 HIS A 193 -4.237 -15.966 11.134 1.00 2.84 H new ATOM 0 HD2 HIS A 193 -0.343 -17.544 11.343 1.00 2.99 H new ATOM 0 HE1 HIS A 193 -4.204 -17.660 13.046 1.00 3.75 H new ATOM 2012 N MET A 194 -4.713 -13.230 9.334 1.00 0.73 N ATOM 2013 CA MET A 194 -6.166 -13.293 9.003 1.00 0.79 C ATOM 2014 C MET A 194 -6.349 -13.637 7.521 1.00 0.75 C ATOM 2015 O MET A 194 -7.145 -14.482 7.167 1.00 0.90 O ATOM 2016 CB MET A 194 -6.809 -11.934 9.293 1.00 0.91 C ATOM 2017 CG MET A 194 -8.333 -12.065 9.241 1.00 1.47 C ATOM 2018 SD MET A 194 -9.088 -10.495 9.730 1.00 2.35 S ATOM 2019 CE MET A 194 -10.805 -10.945 9.373 1.00 2.94 C ATOM 0 H MET A 194 -4.318 -12.290 9.375 1.00 0.73 H new ATOM 0 HA MET A 194 -6.641 -14.064 9.610 1.00 0.79 H new ATOM 0 HB2 MET A 194 -6.498 -11.575 10.274 1.00 0.91 H new ATOM 0 HB3 MET A 194 -6.472 -11.198 8.563 1.00 0.91 H new ATOM 0 HG2 MET A 194 -8.652 -12.337 8.235 1.00 1.47 H new ATOM 0 HG3 MET A 194 -8.663 -12.863 9.906 1.00 1.47 H new ATOM 0 HE1 MET A 194 -11.458 -10.104 9.607 1.00 2.94 H new ATOM 0 HE2 MET A 194 -10.903 -11.197 8.317 1.00 2.94 H new ATOM 0 HE3 MET A 194 -11.089 -11.805 9.980 1.00 2.94 H new ATOM 2029 N ALA A 195 -5.624 -12.986 6.653 1.00 0.66 N ATOM 2030 CA ALA A 195 -5.766 -13.275 5.197 1.00 0.76 C ATOM 2031 C ALA A 195 -5.662 -14.784 4.960 1.00 0.90 C ATOM 2032 O ALA A 195 -6.218 -15.316 4.019 1.00 1.11 O ATOM 2033 CB ALA A 195 -4.655 -12.560 4.425 1.00 0.82 C ATOM 0 H ALA A 195 -4.940 -12.267 6.888 1.00 0.66 H new ATOM 0 HA ALA A 195 -6.737 -12.921 4.851 1.00 0.76 H new ATOM 0 HB1 ALA A 195 -4.758 -12.771 3.361 1.00 0.82 H new ATOM 0 HB2 ALA A 195 -4.730 -11.485 4.591 1.00 0.82 H new ATOM 0 HB3 ALA A 195 -3.684 -12.914 4.773 1.00 0.82 H new